----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:50:33]------------------------- 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: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.894880060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.646010019999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.391530259999998 Atomic positions (fractional): *1 Si 0.30953227742745 0.93045872385663 0.35339668704663 28.085 2 Si 0.69046772257255 0.43045872385663 0.64660331295337 28.085 3 Si 0.80953227742745 0.56954127614337 0.14660331295337 28.085 4 Si 0.19046772257255 0.06954127614337 0.85339668704663 28.085 5 Si 0.69046772257255 0.06954127614337 0.64660331295337 28.085 6 Si 0.30953227742745 0.56954127614337 0.35339668704663 28.085 7 Si 0.19046772257255 0.43045872385663 0.85339668704663 28.085 8 Si 0.80953227742745 0.93045872385663 0.14660331295337 28.085 *9 Si 0.80518984770659 0.75000000000000 0.96435515408330 28.085 10 Si 0.19481015229341 0.25000000000000 0.03564484591670 28.085 11 Si 0.30518984770659 0.75000000000000 0.53564484591670 28.085 12 Si 0.69481015229341 0.25000000000000 0.46435515408330 28.085 *13 Si 0.58508075647532 0.75000000000000 0.09248217760149 28.085 14 Si 0.41491924352468 0.25000000000000 0.90751782239851 28.085 15 Si 0.08508075647532 0.75000000000000 0.40751782239851 28.085 16 Si 0.91491924352468 0.25000000000000 0.59248217760149 28.085 *17 Ba 0.34035617370011 0.25000000000000 0.59450607039458 137.327 18 Ba 0.65964382629989 0.75000000000000 0.40549392960542 137.327 19 Ba 0.84035617370011 0.25000000000000 0.90549392960542 137.327 20 Ba 0.15964382629989 0.75000000000000 0.09450607039458 137.327 *21 Ba 0.51587104354830 0.25000000000000 0.18989826207476 137.327 22 Ba 0.48412895645170 0.75000000000000 0.81010173792524 137.327 23 Ba 0.01587104354830 0.25000000000000 0.31010173792524 137.327 24 Ba 0.98412895645170 0.75000000000000 0.68989826207476 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.894880060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.646010019999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.391530259999998 Atomic positions (fractional): *1 Si 0.30953227742745 0.93045872385663 0.35339668704663 28.085 > 1 2 Si 0.69046772257255 0.43045872385663 0.64660331295337 28.085 > 2 3 Si 0.80953227742745 0.56954127614337 0.14660331295337 28.085 > 3 4 Si 0.19046772257255 0.06954127614337 0.85339668704663 28.085 > 4 5 Si 0.69046772257255 0.06954127614337 0.64660331295337 28.085 > 5 6 Si 0.30953227742745 0.56954127614337 0.35339668704663 28.085 > 6 7 Si 0.19046772257255 0.43045872385663 0.85339668704663 28.085 > 7 8 Si 0.80953227742745 0.93045872385663 0.14660331295337 28.085 > 8 *9 Si 0.80518984770659 0.75000000000000 0.96435515408330 28.085 > 9 10 Si 0.19481015229341 0.25000000000000 0.03564484591670 28.085 > 10 11 Si 0.30518984770659 0.75000000000000 0.53564484591670 28.085 > 11 12 Si 0.69481015229341 0.25000000000000 0.46435515408330 28.085 > 12 *13 Si 0.58508075647532 0.75000000000000 0.09248217760149 28.085 > 13 14 Si 0.41491924352468 0.25000000000000 0.90751782239851 28.085 > 14 15 Si 0.08508075647532 0.75000000000000 0.40751782239851 28.085 > 15 16 Si 0.91491924352468 0.25000000000000 0.59248217760149 28.085 > 16 *17 Ba 0.34035617370011 0.25000000000000 0.59450607039458 137.327 > 17 18 Ba 0.65964382629989 0.75000000000000 0.40549392960542 137.327 > 18 19 Ba 0.84035617370011 0.25000000000000 0.90549392960542 137.327 > 19 20 Ba 0.15964382629989 0.75000000000000 0.09450607039458 137.327 > 20 *21 Ba 0.51587104354830 0.25000000000000 0.18989826207476 137.327 > 21 22 Ba 0.48412895645170 0.75000000000000 0.81010173792524 137.327 > 22 23 Ba 0.01587104354830 0.25000000000000 0.31010173792524 137.327 > 23 24 Ba 0.98412895645170 0.75000000000000 0.68989826207476 137.327 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.789760120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.292020039999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.391530259999998 Atomic positions (fractional): *1 Si 0.15476613871373 0.46522936192832 0.35339668704663 28.085 > 1 2 Si 0.65476613871373 0.46522936192832 0.35339668704663 28.085 > 1 3 Si 0.15476613871373 0.96522936192832 0.35339668704663 28.085 > 1 4 Si 0.65476613871373 0.96522936192832 0.35339668704663 28.085 > 1 5 Si 0.34523386128627 0.21522936192832 0.64660331295337 28.085 > 2 6 Si 0.84523386128627 0.21522936192832 0.64660331295337 28.085 > 2 7 Si 0.34523386128627 0.71522936192832 0.64660331295337 28.085 > 2 8 Si 0.84523386128627 0.71522936192832 0.64660331295337 28.085 > 2 9 Si 0.40476613871373 0.28477063807168 0.14660331295337 28.085 > 3 10 Si 0.90476613871373 0.28477063807168 0.14660331295337 28.085 > 3 11 Si 0.40476613871373 0.78477063807168 0.14660331295337 28.085 > 3 12 Si 0.90476613871373 0.78477063807168 0.14660331295337 28.085 > 3 13 Si 0.09523386128627 0.03477063807168 0.85339668704663 28.085 > 4 14 Si 0.59523386128627 0.03477063807168 0.85339668704663 28.085 > 4 15 Si 0.09523386128627 0.53477063807168 0.85339668704663 28.085 > 4 16 Si 0.59523386128627 0.53477063807168 0.85339668704663 28.085 > 4 17 Si 0.34523386128627 0.03477063807168 0.64660331295337 28.085 > 5 18 Si 0.84523386128627 0.03477063807168 0.64660331295337 28.085 > 5 19 Si 0.34523386128627 0.53477063807168 0.64660331295337 28.085 > 5 20 Si 0.84523386128627 0.53477063807168 0.64660331295337 28.085 > 5 21 Si 0.15476613871373 0.28477063807168 0.35339668704663 28.085 > 6 22 Si 0.65476613871373 0.28477063807168 0.35339668704663 28.085 > 6 23 Si 0.15476613871373 0.78477063807168 0.35339668704663 28.085 > 6 24 Si 0.65476613871373 0.78477063807168 0.35339668704663 28.085 > 6 25 Si 0.09523386128627 0.21522936192832 0.85339668704663 28.085 > 7 26 Si 0.59523386128627 0.21522936192832 0.85339668704663 28.085 > 7 27 Si 0.09523386128627 0.71522936192832 0.85339668704663 28.085 > 7 28 Si 0.59523386128627 0.71522936192832 0.85339668704663 28.085 > 7 29 Si 0.40476613871373 0.46522936192832 0.14660331295337 28.085 > 8 30 Si 0.90476613871373 0.46522936192832 0.14660331295337 28.085 > 8 31 Si 0.40476613871373 0.96522936192832 0.14660331295337 28.085 > 8 32 Si 0.90476613871373 0.96522936192832 0.14660331295337 28.085 > 8 *33 Si 0.40259492385330 0.37500000000000 0.96435515408330 28.085 > 9 34 Si 0.90259492385330 0.37500000000000 0.96435515408330 28.085 > 9 35 Si 0.40259492385330 0.87500000000000 0.96435515408330 28.085 > 9 36 Si 0.90259492385330 0.87500000000000 0.96435515408330 28.085 > 9 37 Si 0.09740507614670 0.12500000000000 0.03564484591670 28.085 > 10 38 Si 0.59740507614670 0.12500000000000 0.03564484591670 28.085 > 10 39 Si 0.09740507614670 0.62500000000000 0.03564484591670 28.085 > 10 40 Si 0.59740507614670 0.62500000000000 0.03564484591670 28.085 > 10 41 Si 0.15259492385330 0.37500000000000 0.53564484591670 28.085 > 11 42 Si 0.65259492385330 0.37500000000000 0.53564484591670 28.085 > 11 43 Si 0.15259492385330 0.87500000000000 0.53564484591670 28.085 > 11 44 Si 0.65259492385330 0.87500000000000 0.53564484591670 28.085 > 11 45 Si 0.34740507614670 0.12500000000000 0.46435515408330 28.085 > 12 46 Si 0.84740507614670 0.12500000000000 0.46435515408330 28.085 > 12 47 Si 0.34740507614670 0.62500000000000 0.46435515408330 28.085 > 12 48 Si 0.84740507614670 0.62500000000000 0.46435515408330 28.085 > 12 *49 Si 0.29254037823766 0.37500000000000 0.09248217760149 28.085 > 13 50 Si 0.79254037823766 0.37500000000000 0.09248217760149 28.085 > 13 51 Si 0.29254037823766 0.87500000000000 0.09248217760149 28.085 > 13 52 Si 0.79254037823766 0.87500000000000 0.09248217760149 28.085 > 13 53 Si 0.20745962176234 0.12500000000000 0.90751782239851 28.085 > 14 54 Si 0.70745962176234 0.12500000000000 0.90751782239851 28.085 > 14 55 Si 0.20745962176234 0.62500000000000 0.90751782239851 28.085 > 14 56 Si 0.70745962176234 0.62500000000000 0.90751782239851 28.085 > 14 57 Si 0.04254037823766 0.37500000000000 0.40751782239851 28.085 > 15 58 Si 0.54254037823766 0.37500000000000 0.40751782239851 28.085 > 15 59 Si 0.04254037823766 0.87500000000000 0.40751782239851 28.085 > 15 60 Si 0.54254037823766 0.87500000000000 0.40751782239851 28.085 > 15 61 Si 0.45745962176234 0.12500000000000 0.59248217760149 28.085 > 16 62 Si 0.95745962176234 0.12500000000000 0.59248217760149 28.085 > 16 63 Si 0.45745962176234 0.62500000000000 0.59248217760149 28.085 > 16 64 Si 0.95745962176234 0.62500000000000 0.59248217760149 28.085 > 16 *65 Ba 0.17017808685005 0.12500000000000 0.59450607039458 137.327 > 17 66 Ba 0.67017808685005 0.12500000000000 0.59450607039458 137.327 > 17 67 Ba 0.17017808685005 0.62500000000000 0.59450607039458 137.327 > 17 68 Ba 0.67017808685005 0.62500000000000 0.59450607039458 137.327 > 17 69 Ba 0.32982191314995 0.37500000000000 0.40549392960542 137.327 > 18 70 Ba 0.82982191314995 0.37500000000000 0.40549392960542 137.327 > 18 71 Ba 0.32982191314995 0.87500000000000 0.40549392960542 137.327 > 18 72 Ba 0.82982191314995 0.87500000000000 0.40549392960542 137.327 > 18 73 Ba 0.42017808685005 0.12500000000000 0.90549392960542 137.327 > 19 74 Ba 0.92017808685005 0.12500000000000 0.90549392960542 137.327 > 19 75 Ba 0.42017808685005 0.62500000000000 0.90549392960542 137.327 > 19 76 Ba 0.92017808685005 0.62500000000000 0.90549392960542 137.327 > 19 77 Ba 0.07982191314995 0.37500000000000 0.09450607039458 137.327 > 20 78 Ba 0.57982191314995 0.37500000000000 0.09450607039458 137.327 > 20 79 Ba 0.07982191314995 0.87500000000000 0.09450607039458 137.327 > 20 80 Ba 0.57982191314995 0.87500000000000 0.09450607039458 137.327 > 20 *81 Ba 0.25793552177415 0.12500000000000 0.18989826207476 137.327 > 21 82 Ba 0.75793552177415 0.12500000000000 0.18989826207476 137.327 > 21 83 Ba 0.25793552177415 0.62500000000000 0.18989826207476 137.327 > 21 84 Ba 0.75793552177415 0.62500000000000 0.18989826207476 137.327 > 21 85 Ba 0.24206447822585 0.37500000000000 0.81010173792524 137.327 > 22 86 Ba 0.74206447822585 0.37500000000000 0.81010173792524 137.327 > 22 87 Ba 0.24206447822585 0.87500000000000 0.81010173792524 137.327 > 22 88 Ba 0.74206447822585 0.87500000000000 0.81010173792524 137.327 > 22 89 Ba 0.00793552177415 0.12500000000000 0.31010173792524 137.327 > 23 90 Ba 0.50793552177415 0.12500000000000 0.31010173792524 137.327 > 23 91 Ba 0.00793552177415 0.62500000000000 0.31010173792524 137.327 > 23 92 Ba 0.50793552177415 0.62500000000000 0.31010173792524 137.327 > 23 93 Ba 0.49206447822585 0.37500000000000 0.68989826207476 137.327 > 24 94 Ba 0.99206447822585 0.37500000000000 0.68989826207476 137.327 > 24 95 Ba 0.49206447822585 0.87500000000000 0.68989826207476 137.327 > 24 96 Ba 0.99206447822585 0.87500000000000 0.68989826207476 137.327 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 16.4564659 0.0000000 0.0000000 0.0000000 12.9955088 0.0000000 0.0000000 0.0000000 14.7589272 -------------------------- Born effective charges -------------------------- 1 Si -1.3310622 -0.2112883 -0.0817475 0.2085642 -1.3040373 0.1448454 0.0799870 0.1602054 -1.1783775 2 Si -1.3310622 0.2112883 -0.0817475 -0.2085642 -1.3040373 -0.1448454 0.0799870 -0.1602054 -1.1783775 3 Si -1.3310622 0.2112883 0.0817475 -0.2085642 -1.3040373 0.1448454 -0.0799870 0.1602054 -1.1783775 4 Si -1.3310622 -0.2112883 0.0817475 0.2085642 -1.3040373 -0.1448454 -0.0799870 -0.1602054 -1.1783775 5 Si -1.3310622 -0.2112883 -0.0817475 0.2085642 -1.3040373 0.1448454 0.0799870 0.1602054 -1.1783775 6 Si -1.3310622 0.2112883 -0.0817475 -0.2085642 -1.3040373 -0.1448454 0.0799870 -0.1602054 -1.1783775 7 Si -1.3310622 0.2112883 0.0817475 -0.2085642 -1.3040373 0.1448454 -0.0799870 0.1602054 -1.1783775 8 Si -1.3310622 -0.2112883 0.0817475 0.2085642 -1.3040373 -0.1448454 -0.0799870 -0.1602054 -1.1783775 9 Si -1.8402735 0.0000000 0.1976230 0.0000000 -1.3375737 0.0000000 0.4637954 0.0000000 -2.1864378 10 Si -1.8402735 0.0000000 0.1976230 0.0000000 -1.3375737 0.0000000 0.4637954 0.0000000 -2.1864378 11 Si -1.8402735 0.0000000 -0.1976230 0.0000000 -1.3375737 0.0000000 -0.4637954 0.0000000 -2.1864378 12 Si -1.8402735 0.0000000 -0.1976230 0.0000000 -1.3375737 0.0000000 -0.4637954 0.0000000 -2.1864378 13 Si -1.5464933 0.0000000 -0.5458812 0.0000000 -1.4705847 0.0000000 -0.3283432 0.0000000 -0.8664506 14 Si -1.5464933 0.0000000 -0.5458812 0.0000000 -1.4705847 0.0000000 -0.3283432 0.0000000 -0.8664506 15 Si -1.5464933 0.0000000 0.5458812 0.0000000 -1.4705847 0.0000000 0.3283432 0.0000000 -0.8664506 16 Si -1.5464933 0.0000000 0.5458812 0.0000000 -1.4705847 0.0000000 0.3283432 0.0000000 -0.8664506 17 Ba 3.1753653 0.0000000 -0.7884243 0.0000000 2.2888864 0.0000000 -0.0958568 0.0000000 2.4097929 18 Ba 3.1753653 0.0000000 -0.7884243 0.0000000 2.2888864 0.0000000 -0.0958568 0.0000000 2.4097929 19 Ba 3.1753653 0.0000000 0.7884243 0.0000000 2.2888864 0.0000000 0.0958568 0.0000000 2.4097929 20 Ba 3.1753653 0.0000000 0.7884243 0.0000000 2.2888864 0.0000000 0.0958568 0.0000000 2.4097929 21 Ba 2.8735258 0.0000000 0.1722031 0.0000000 3.1273467 0.0000000 0.0536350 0.0000000 2.9998506 22 Ba 2.8735258 0.0000000 0.1722031 0.0000000 3.1273467 0.0000000 0.0536350 0.0000000 2.9998506 23 Ba 2.8735258 0.0000000 -0.1722031 0.0000000 3.1273467 0.0000000 -0.0536350 0.0000000 2.9998506 24 Ba 2.8735258 0.0000000 -0.1722031 0.0000000 3.1273467 0.0000000 -0.0536350 0.0000000 2.9998506 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1400 Number of blocks in projector: 1400 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 352 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1400, 1371), data: False |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (352, 342), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 400 - Time: 1.528 Solver_block: 200 / 400 - Time: 1.506 Solver_block: 300 / 400 - Time: 1.518 Solver_block: 400 / 400 - Time: 1.533 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.196 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1400 Number of blocks in projector: 1400 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 352 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1400, 1371), data: False |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (352, 342), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 18:50:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:50:57]------------------------- 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: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.894880060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.646010019999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.391530259999998 Atomic positions (fractional): 1 Si 0.30953227742745 0.93045872385663 0.35339668704663 28.085 2 Si 0.69046772257255 0.43045872385663 0.64660331295337 28.085 3 Si 0.80953227742745 0.56954127614337 0.14660331295337 28.085 4 Si 0.19046772257255 0.06954127614337 0.85339668704663 28.085 5 Si 0.69046772257255 0.06954127614337 0.64660331295337 28.085 6 Si 0.30953227742745 0.56954127614337 0.35339668704663 28.085 7 Si 0.19046772257255 0.43045872385663 0.85339668704663 28.085 8 Si 0.80953227742745 0.93045872385663 0.14660331295337 28.085 9 Si 0.80518984770659 0.75000000000000 0.96435515408330 28.085 10 Si 0.19481015229341 0.25000000000000 0.03564484591670 28.085 11 Si 0.30518984770659 0.75000000000000 0.53564484591670 28.085 12 Si 0.69481015229341 0.25000000000000 0.46435515408330 28.085 13 Si 0.58508075647532 0.75000000000000 0.09248217760149 28.085 14 Si 0.41491924352468 0.25000000000000 0.90751782239851 28.085 15 Si 0.08508075647532 0.75000000000000 0.40751782239851 28.085 16 Si 0.91491924352468 0.25000000000000 0.59248217760149 28.085 17 Ba 0.34035617370011 0.25000000000000 0.59450607039458 137.327 18 Ba 0.65964382629989 0.75000000000000 0.40549392960542 137.327 19 Ba 0.84035617370011 0.25000000000000 0.90549392960542 137.327 20 Ba 0.15964382629989 0.75000000000000 0.09450607039458 137.327 21 Ba 0.51587104354830 0.25000000000000 0.18989826207476 137.327 22 Ba 0.48412895645170 0.75000000000000 0.81010173792524 137.327 23 Ba 0.01587104354830 0.25000000000000 0.31010173792524 137.327 24 Ba 0.98412895645170 0.75000000000000 0.68989826207476 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.789760120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.292020039999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.391530259999998 Atomic positions (fractional): 1 Si 0.15476613871373 0.46522936192832 0.35339668704663 28.085 > 1 2 Si 0.65476613871373 0.46522936192832 0.35339668704663 28.085 > 1 3 Si 0.15476613871373 0.96522936192832 0.35339668704663 28.085 > 1 4 Si 0.65476613871373 0.96522936192832 0.35339668704663 28.085 > 1 5 Si 0.34523386128627 0.21522936192832 0.64660331295337 28.085 > 5 6 Si 0.84523386128627 0.21522936192832 0.64660331295337 28.085 > 5 7 Si 0.34523386128627 0.71522936192832 0.64660331295337 28.085 > 5 8 Si 0.84523386128627 0.71522936192832 0.64660331295337 28.085 > 5 9 Si 0.40476613871373 0.28477063807168 0.14660331295337 28.085 > 9 10 Si 0.90476613871373 0.28477063807168 0.14660331295337 28.085 > 9 11 Si 0.40476613871373 0.78477063807168 0.14660331295337 28.085 > 9 12 Si 0.90476613871373 0.78477063807168 0.14660331295337 28.085 > 9 13 Si 0.09523386128627 0.03477063807168 0.85339668704663 28.085 > 13 14 Si 0.59523386128627 0.03477063807168 0.85339668704663 28.085 > 13 15 Si 0.09523386128627 0.53477063807168 0.85339668704663 28.085 > 13 16 Si 0.59523386128627 0.53477063807168 0.85339668704663 28.085 > 13 17 Si 0.34523386128627 0.03477063807168 0.64660331295337 28.085 > 17 18 Si 0.84523386128627 0.03477063807168 0.64660331295337 28.085 > 17 19 Si 0.34523386128627 0.53477063807168 0.64660331295337 28.085 > 17 20 Si 0.84523386128627 0.53477063807168 0.64660331295337 28.085 > 17 21 Si 0.15476613871373 0.28477063807168 0.35339668704663 28.085 > 21 22 Si 0.65476613871373 0.28477063807168 0.35339668704663 28.085 > 21 23 Si 0.15476613871373 0.78477063807168 0.35339668704663 28.085 > 21 24 Si 0.65476613871373 0.78477063807168 0.35339668704663 28.085 > 21 25 Si 0.09523386128627 0.21522936192832 0.85339668704663 28.085 > 25 26 Si 0.59523386128627 0.21522936192832 0.85339668704663 28.085 > 25 27 Si 0.09523386128627 0.71522936192832 0.85339668704663 28.085 > 25 28 Si 0.59523386128627 0.71522936192832 0.85339668704663 28.085 > 25 29 Si 0.40476613871373 0.46522936192832 0.14660331295337 28.085 > 29 30 Si 0.90476613871373 0.46522936192832 0.14660331295337 28.085 > 29 31 Si 0.40476613871373 0.96522936192832 0.14660331295337 28.085 > 29 32 Si 0.90476613871373 0.96522936192832 0.14660331295337 28.085 > 29 33 Si 0.40259492385330 0.37500000000000 0.96435515408330 28.085 > 33 34 Si 0.90259492385330 0.37500000000000 0.96435515408330 28.085 > 33 35 Si 0.40259492385330 0.87500000000000 0.96435515408330 28.085 > 33 36 Si 0.90259492385330 0.87500000000000 0.96435515408330 28.085 > 33 37 Si 0.09740507614670 0.12500000000000 0.03564484591670 28.085 > 37 38 Si 0.59740507614670 0.12500000000000 0.03564484591670 28.085 > 37 39 Si 0.09740507614670 0.62500000000000 0.03564484591670 28.085 > 37 40 Si 0.59740507614670 0.62500000000000 0.03564484591670 28.085 > 37 41 Si 0.15259492385330 0.37500000000000 0.53564484591670 28.085 > 41 42 Si 0.65259492385330 0.37500000000000 0.53564484591670 28.085 > 41 43 Si 0.15259492385330 0.87500000000000 0.53564484591670 28.085 > 41 44 Si 0.65259492385330 0.87500000000000 0.53564484591670 28.085 > 41 45 Si 0.34740507614670 0.12500000000000 0.46435515408330 28.085 > 45 46 Si 0.84740507614670 0.12500000000000 0.46435515408330 28.085 > 45 47 Si 0.34740507614670 0.62500000000000 0.46435515408330 28.085 > 45 48 Si 0.84740507614670 0.62500000000000 0.46435515408330 28.085 > 45 49 Si 0.29254037823766 0.37500000000000 0.09248217760149 28.085 > 49 50 Si 0.79254037823766 0.37500000000000 0.09248217760149 28.085 > 49 51 Si 0.29254037823766 0.87500000000000 0.09248217760149 28.085 > 49 52 Si 0.79254037823766 0.87500000000000 0.09248217760149 28.085 > 49 53 Si 0.20745962176234 0.12500000000000 0.90751782239851 28.085 > 53 54 Si 0.70745962176234 0.12500000000000 0.90751782239851 28.085 > 53 55 Si 0.20745962176234 0.62500000000000 0.90751782239851 28.085 > 53 56 Si 0.70745962176234 0.62500000000000 0.90751782239851 28.085 > 53 57 Si 0.04254037823766 0.37500000000000 0.40751782239851 28.085 > 57 58 Si 0.54254037823766 0.37500000000000 0.40751782239851 28.085 > 57 59 Si 0.04254037823766 0.87500000000000 0.40751782239851 28.085 > 57 60 Si 0.54254037823766 0.87500000000000 0.40751782239851 28.085 > 57 61 Si 0.45745962176234 0.12500000000000 0.59248217760149 28.085 > 61 62 Si 0.95745962176234 0.12500000000000 0.59248217760149 28.085 > 61 63 Si 0.45745962176234 0.62500000000000 0.59248217760149 28.085 > 61 64 Si 0.95745962176234 0.62500000000000 0.59248217760149 28.085 > 61 65 Ba 0.17017808685005 0.12500000000000 0.59450607039458 137.327 > 65 66 Ba 0.67017808685005 0.12500000000000 0.59450607039458 137.327 > 65 67 Ba 0.17017808685005 0.62500000000000 0.59450607039458 137.327 > 65 68 Ba 0.67017808685005 0.62500000000000 0.59450607039458 137.327 > 65 69 Ba 0.32982191314995 0.37500000000000 0.40549392960542 137.327 > 69 70 Ba 0.82982191314995 0.37500000000000 0.40549392960542 137.327 > 69 71 Ba 0.32982191314995 0.87500000000000 0.40549392960542 137.327 > 69 72 Ba 0.82982191314995 0.87500000000000 0.40549392960542 137.327 > 69 73 Ba 0.42017808685005 0.12500000000000 0.90549392960542 137.327 > 73 74 Ba 0.92017808685005 0.12500000000000 0.90549392960542 137.327 > 73 75 Ba 0.42017808685005 0.62500000000000 0.90549392960542 137.327 > 73 76 Ba 0.92017808685005 0.62500000000000 0.90549392960542 137.327 > 73 77 Ba 0.07982191314995 0.37500000000000 0.09450607039458 137.327 > 77 78 Ba 0.57982191314995 0.37500000000000 0.09450607039458 137.327 > 77 79 Ba 0.07982191314995 0.87500000000000 0.09450607039458 137.327 > 77 80 Ba 0.57982191314995 0.87500000000000 0.09450607039458 137.327 > 77 81 Ba 0.25793552177415 0.12500000000000 0.18989826207476 137.327 > 81 82 Ba 0.75793552177415 0.12500000000000 0.18989826207476 137.327 > 81 83 Ba 0.25793552177415 0.62500000000000 0.18989826207476 137.327 > 81 84 Ba 0.75793552177415 0.62500000000000 0.18989826207476 137.327 > 81 85 Ba 0.24206447822585 0.37500000000000 0.81010173792524 137.327 > 85 86 Ba 0.74206447822585 0.37500000000000 0.81010173792524 137.327 > 85 87 Ba 0.24206447822585 0.87500000000000 0.81010173792524 137.327 > 85 88 Ba 0.74206447822585 0.87500000000000 0.81010173792524 137.327 > 85 89 Ba 0.00793552177415 0.12500000000000 0.31010173792524 137.327 > 89 90 Ba 0.50793552177415 0.12500000000000 0.31010173792524 137.327 > 89 91 Ba 0.00793552177415 0.62500000000000 0.31010173792524 137.327 > 89 92 Ba 0.50793552177415 0.62500000000000 0.31010173792524 137.327 > 89 93 Ba 0.49206447822585 0.37500000000000 0.68989826207476 137.327 > 93 94 Ba 0.99206447822585 0.37500000000000 0.68989826207476 137.327 > 93 95 Ba 0.49206447822585 0.87500000000000 0.68989826207476 137.327 > 93 96 Ba 0.99206447822585 0.87500000000000 0.68989826207476 137.327 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 16.4564659 0.0000000 0.0000000 0.0000000 12.9955088 0.0000000 0.0000000 0.0000000 14.7589272 -------------------------- Born effective charges -------------------------- 1 Si -1.3310622 -0.2112883 -0.0817475 0.2085642 -1.3040373 0.1448454 0.0799870 0.1602054 -1.1783775 2 Si -1.3310622 0.2112883 -0.0817475 -0.2085642 -1.3040373 -0.1448454 0.0799870 -0.1602054 -1.1783775 3 Si -1.3310622 0.2112883 0.0817475 -0.2085642 -1.3040373 0.1448454 -0.0799870 0.1602054 -1.1783775 4 Si -1.3310622 -0.2112883 0.0817475 0.2085642 -1.3040373 -0.1448454 -0.0799870 -0.1602054 -1.1783775 5 Si -1.3310622 -0.2112883 -0.0817475 0.2085642 -1.3040373 0.1448454 0.0799870 0.1602054 -1.1783775 6 Si -1.3310622 0.2112883 -0.0817475 -0.2085642 -1.3040373 -0.1448454 0.0799870 -0.1602054 -1.1783775 7 Si -1.3310622 0.2112883 0.0817475 -0.2085642 -1.3040373 0.1448454 -0.0799870 0.1602054 -1.1783775 8 Si -1.3310622 -0.2112883 0.0817475 0.2085642 -1.3040373 -0.1448454 -0.0799870 -0.1602054 -1.1783775 9 Si -1.8402735 0.0000000 0.1976230 0.0000000 -1.3375737 0.0000000 0.4637954 0.0000000 -2.1864378 10 Si -1.8402735 0.0000000 0.1976230 0.0000000 -1.3375737 0.0000000 0.4637954 0.0000000 -2.1864378 11 Si -1.8402735 0.0000000 -0.1976230 0.0000000 -1.3375737 0.0000000 -0.4637954 0.0000000 -2.1864378 12 Si -1.8402735 0.0000000 -0.1976230 0.0000000 -1.3375737 0.0000000 -0.4637954 0.0000000 -2.1864378 13 Si -1.5464933 0.0000000 -0.5458812 0.0000000 -1.4705847 0.0000000 -0.3283432 0.0000000 -0.8664506 14 Si -1.5464933 0.0000000 -0.5458812 0.0000000 -1.4705847 0.0000000 -0.3283432 0.0000000 -0.8664506 15 Si -1.5464933 0.0000000 0.5458812 0.0000000 -1.4705847 0.0000000 0.3283432 0.0000000 -0.8664506 16 Si -1.5464933 0.0000000 0.5458812 0.0000000 -1.4705847 0.0000000 0.3283432 0.0000000 -0.8664506 17 Ba 3.1753653 0.0000000 -0.7884243 0.0000000 2.2888864 0.0000000 -0.0958568 0.0000000 2.4097929 18 Ba 3.1753653 0.0000000 -0.7884243 0.0000000 2.2888864 0.0000000 -0.0958568 0.0000000 2.4097929 19 Ba 3.1753653 0.0000000 0.7884243 0.0000000 2.2888864 0.0000000 0.0958568 0.0000000 2.4097929 20 Ba 3.1753653 0.0000000 0.7884243 0.0000000 2.2888864 0.0000000 0.0958568 0.0000000 2.4097929 21 Ba 2.8735258 0.0000000 0.1722031 0.0000000 3.1273467 0.0000000 0.0536350 0.0000000 2.9998506 22 Ba 2.8735258 0.0000000 0.1722031 0.0000000 3.1273467 0.0000000 0.0536350 0.0000000 2.9998506 23 Ba 2.8735258 0.0000000 -0.1722031 0.0000000 3.1273467 0.0000000 -0.0536350 0.0000000 2.9998506 24 Ba 2.8735258 0.0000000 -0.1722031 0.0000000 3.1273467 0.0000000 -0.0536350 0.0000000 2.9998506 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yxy) -0.00000001 (yxy) -0.00000001 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:51:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:51:13]------------------------- 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: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.894880060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.646010019999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.391530259999998 Atomic positions (fractional): 1 Si 0.30953227742745 0.93045872385663 0.35339668704663 28.085 2 Si 0.69046772257255 0.43045872385663 0.64660331295337 28.085 3 Si 0.80953227742745 0.56954127614337 0.14660331295337 28.085 4 Si 0.19046772257255 0.06954127614337 0.85339668704663 28.085 5 Si 0.69046772257255 0.06954127614337 0.64660331295337 28.085 6 Si 0.30953227742745 0.56954127614337 0.35339668704663 28.085 7 Si 0.19046772257255 0.43045872385663 0.85339668704663 28.085 8 Si 0.80953227742745 0.93045872385663 0.14660331295337 28.085 9 Si 0.80518984770659 0.75000000000000 0.96435515408330 28.085 10 Si 0.19481015229341 0.25000000000000 0.03564484591670 28.085 11 Si 0.30518984770659 0.75000000000000 0.53564484591670 28.085 12 Si 0.69481015229341 0.25000000000000 0.46435515408330 28.085 13 Si 0.58508075647532 0.75000000000000 0.09248217760149 28.085 14 Si 0.41491924352468 0.25000000000000 0.90751782239851 28.085 15 Si 0.08508075647532 0.75000000000000 0.40751782239851 28.085 16 Si 0.91491924352468 0.25000000000000 0.59248217760149 28.085 17 Ba 0.34035617370011 0.25000000000000 0.59450607039458 137.327 18 Ba 0.65964382629989 0.75000000000000 0.40549392960542 137.327 19 Ba 0.84035617370011 0.25000000000000 0.90549392960542 137.327 20 Ba 0.15964382629989 0.75000000000000 0.09450607039458 137.327 21 Ba 0.51587104354830 0.25000000000000 0.18989826207476 137.327 22 Ba 0.48412895645170 0.75000000000000 0.81010173792524 137.327 23 Ba 0.01587104354830 0.25000000000000 0.31010173792524 137.327 24 Ba 0.98412895645170 0.75000000000000 0.68989826207476 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.789760120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.292020039999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.391530259999998 Atomic positions (fractional): 1 Si 0.15476613871373 0.46522936192832 0.35339668704663 28.085 > 1 2 Si 0.65476613871373 0.46522936192832 0.35339668704663 28.085 > 1 3 Si 0.15476613871373 0.96522936192832 0.35339668704663 28.085 > 1 4 Si 0.65476613871373 0.96522936192832 0.35339668704663 28.085 > 1 5 Si 0.34523386128627 0.21522936192832 0.64660331295337 28.085 > 5 6 Si 0.84523386128627 0.21522936192832 0.64660331295337 28.085 > 5 7 Si 0.34523386128627 0.71522936192832 0.64660331295337 28.085 > 5 8 Si 0.84523386128627 0.71522936192832 0.64660331295337 28.085 > 5 9 Si 0.40476613871373 0.28477063807168 0.14660331295337 28.085 > 9 10 Si 0.90476613871373 0.28477063807168 0.14660331295337 28.085 > 9 11 Si 0.40476613871373 0.78477063807168 0.14660331295337 28.085 > 9 12 Si 0.90476613871373 0.78477063807168 0.14660331295337 28.085 > 9 13 Si 0.09523386128627 0.03477063807168 0.85339668704663 28.085 > 13 14 Si 0.59523386128627 0.03477063807168 0.85339668704663 28.085 > 13 15 Si 0.09523386128627 0.53477063807168 0.85339668704663 28.085 > 13 16 Si 0.59523386128627 0.53477063807168 0.85339668704663 28.085 > 13 17 Si 0.34523386128627 0.03477063807168 0.64660331295337 28.085 > 17 18 Si 0.84523386128627 0.03477063807168 0.64660331295337 28.085 > 17 19 Si 0.34523386128627 0.53477063807168 0.64660331295337 28.085 > 17 20 Si 0.84523386128627 0.53477063807168 0.64660331295337 28.085 > 17 21 Si 0.15476613871373 0.28477063807168 0.35339668704663 28.085 > 21 22 Si 0.65476613871373 0.28477063807168 0.35339668704663 28.085 > 21 23 Si 0.15476613871373 0.78477063807168 0.35339668704663 28.085 > 21 24 Si 0.65476613871373 0.78477063807168 0.35339668704663 28.085 > 21 25 Si 0.09523386128627 0.21522936192832 0.85339668704663 28.085 > 25 26 Si 0.59523386128627 0.21522936192832 0.85339668704663 28.085 > 25 27 Si 0.09523386128627 0.71522936192832 0.85339668704663 28.085 > 25 28 Si 0.59523386128627 0.71522936192832 0.85339668704663 28.085 > 25 29 Si 0.40476613871373 0.46522936192832 0.14660331295337 28.085 > 29 30 Si 0.90476613871373 0.46522936192832 0.14660331295337 28.085 > 29 31 Si 0.40476613871373 0.96522936192832 0.14660331295337 28.085 > 29 32 Si 0.90476613871373 0.96522936192832 0.14660331295337 28.085 > 29 33 Si 0.40259492385330 0.37500000000000 0.96435515408330 28.085 > 33 34 Si 0.90259492385330 0.37500000000000 0.96435515408330 28.085 > 33 35 Si 0.40259492385330 0.87500000000000 0.96435515408330 28.085 > 33 36 Si 0.90259492385330 0.87500000000000 0.96435515408330 28.085 > 33 37 Si 0.09740507614670 0.12500000000000 0.03564484591670 28.085 > 37 38 Si 0.59740507614670 0.12500000000000 0.03564484591670 28.085 > 37 39 Si 0.09740507614670 0.62500000000000 0.03564484591670 28.085 > 37 40 Si 0.59740507614670 0.62500000000000 0.03564484591670 28.085 > 37 41 Si 0.15259492385330 0.37500000000000 0.53564484591670 28.085 > 41 42 Si 0.65259492385330 0.37500000000000 0.53564484591670 28.085 > 41 43 Si 0.15259492385330 0.87500000000000 0.53564484591670 28.085 > 41 44 Si 0.65259492385330 0.87500000000000 0.53564484591670 28.085 > 41 45 Si 0.34740507614670 0.12500000000000 0.46435515408330 28.085 > 45 46 Si 0.84740507614670 0.12500000000000 0.46435515408330 28.085 > 45 47 Si 0.34740507614670 0.62500000000000 0.46435515408330 28.085 > 45 48 Si 0.84740507614670 0.62500000000000 0.46435515408330 28.085 > 45 49 Si 0.29254037823766 0.37500000000000 0.09248217760149 28.085 > 49 50 Si 0.79254037823766 0.37500000000000 0.09248217760149 28.085 > 49 51 Si 0.29254037823766 0.87500000000000 0.09248217760149 28.085 > 49 52 Si 0.79254037823766 0.87500000000000 0.09248217760149 28.085 > 49 53 Si 0.20745962176234 0.12500000000000 0.90751782239851 28.085 > 53 54 Si 0.70745962176234 0.12500000000000 0.90751782239851 28.085 > 53 55 Si 0.20745962176234 0.62500000000000 0.90751782239851 28.085 > 53 56 Si 0.70745962176234 0.62500000000000 0.90751782239851 28.085 > 53 57 Si 0.04254037823766 0.37500000000000 0.40751782239851 28.085 > 57 58 Si 0.54254037823766 0.37500000000000 0.40751782239851 28.085 > 57 59 Si 0.04254037823766 0.87500000000000 0.40751782239851 28.085 > 57 60 Si 0.54254037823766 0.87500000000000 0.40751782239851 28.085 > 57 61 Si 0.45745962176234 0.12500000000000 0.59248217760149 28.085 > 61 62 Si 0.95745962176234 0.12500000000000 0.59248217760149 28.085 > 61 63 Si 0.45745962176234 0.62500000000000 0.59248217760149 28.085 > 61 64 Si 0.95745962176234 0.62500000000000 0.59248217760149 28.085 > 61 65 Ba 0.17017808685005 0.12500000000000 0.59450607039458 137.327 > 65 66 Ba 0.67017808685005 0.12500000000000 0.59450607039458 137.327 > 65 67 Ba 0.17017808685005 0.62500000000000 0.59450607039458 137.327 > 65 68 Ba 0.67017808685005 0.62500000000000 0.59450607039458 137.327 > 65 69 Ba 0.32982191314995 0.37500000000000 0.40549392960542 137.327 > 69 70 Ba 0.82982191314995 0.37500000000000 0.40549392960542 137.327 > 69 71 Ba 0.32982191314995 0.87500000000000 0.40549392960542 137.327 > 69 72 Ba 0.82982191314995 0.87500000000000 0.40549392960542 137.327 > 69 73 Ba 0.42017808685005 0.12500000000000 0.90549392960542 137.327 > 73 74 Ba 0.92017808685005 0.12500000000000 0.90549392960542 137.327 > 73 75 Ba 0.42017808685005 0.62500000000000 0.90549392960542 137.327 > 73 76 Ba 0.92017808685005 0.62500000000000 0.90549392960542 137.327 > 73 77 Ba 0.07982191314995 0.37500000000000 0.09450607039458 137.327 > 77 78 Ba 0.57982191314995 0.37500000000000 0.09450607039458 137.327 > 77 79 Ba 0.07982191314995 0.87500000000000 0.09450607039458 137.327 > 77 80 Ba 0.57982191314995 0.87500000000000 0.09450607039458 137.327 > 77 81 Ba 0.25793552177415 0.12500000000000 0.18989826207476 137.327 > 81 82 Ba 0.75793552177415 0.12500000000000 0.18989826207476 137.327 > 81 83 Ba 0.25793552177415 0.62500000000000 0.18989826207476 137.327 > 81 84 Ba 0.75793552177415 0.62500000000000 0.18989826207476 137.327 > 81 85 Ba 0.24206447822585 0.37500000000000 0.81010173792524 137.327 > 85 86 Ba 0.74206447822585 0.37500000000000 0.81010173792524 137.327 > 85 87 Ba 0.24206447822585 0.87500000000000 0.81010173792524 137.327 > 85 88 Ba 0.74206447822585 0.87500000000000 0.81010173792524 137.327 > 85 89 Ba 0.00793552177415 0.12500000000000 0.31010173792524 137.327 > 89 90 Ba 0.50793552177415 0.12500000000000 0.31010173792524 137.327 > 89 91 Ba 0.00793552177415 0.62500000000000 0.31010173792524 137.327 > 89 92 Ba 0.50793552177415 0.62500000000000 0.31010173792524 137.327 > 89 93 Ba 0.49206447822585 0.37500000000000 0.68989826207476 137.327 > 93 94 Ba 0.99206447822585 0.37500000000000 0.68989826207476 137.327 > 93 95 Ba 0.49206447822585 0.87500000000000 0.68989826207476 137.327 > 93 96 Ba 0.99206447822585 0.87500000000000 0.68989826207476 137.327 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 16.4564659 0.0000000 0.0000000 0.0000000 12.9955088 0.0000000 0.0000000 0.0000000 14.7589272 -------------------------- Born effective charges -------------------------- 1 Si -1.3310622 -0.2112883 -0.0817475 0.2085642 -1.3040373 0.1448454 0.0799870 0.1602054 -1.1783775 2 Si -1.3310622 0.2112883 -0.0817475 -0.2085642 -1.3040373 -0.1448454 0.0799870 -0.1602054 -1.1783775 3 Si -1.3310622 0.2112883 0.0817475 -0.2085642 -1.3040373 0.1448454 -0.0799870 0.1602054 -1.1783775 4 Si -1.3310622 -0.2112883 0.0817475 0.2085642 -1.3040373 -0.1448454 -0.0799870 -0.1602054 -1.1783775 5 Si -1.3310622 -0.2112883 -0.0817475 0.2085642 -1.3040373 0.1448454 0.0799870 0.1602054 -1.1783775 6 Si -1.3310622 0.2112883 -0.0817475 -0.2085642 -1.3040373 -0.1448454 0.0799870 -0.1602054 -1.1783775 7 Si -1.3310622 0.2112883 0.0817475 -0.2085642 -1.3040373 0.1448454 -0.0799870 0.1602054 -1.1783775 8 Si -1.3310622 -0.2112883 0.0817475 0.2085642 -1.3040373 -0.1448454 -0.0799870 -0.1602054 -1.1783775 9 Si -1.8402735 0.0000000 0.1976230 0.0000000 -1.3375737 0.0000000 0.4637954 0.0000000 -2.1864378 10 Si -1.8402735 0.0000000 0.1976230 0.0000000 -1.3375737 0.0000000 0.4637954 0.0000000 -2.1864378 11 Si -1.8402735 0.0000000 -0.1976230 0.0000000 -1.3375737 0.0000000 -0.4637954 0.0000000 -2.1864378 12 Si -1.8402735 0.0000000 -0.1976230 0.0000000 -1.3375737 0.0000000 -0.4637954 0.0000000 -2.1864378 13 Si -1.5464933 0.0000000 -0.5458812 0.0000000 -1.4705847 0.0000000 -0.3283432 0.0000000 -0.8664506 14 Si -1.5464933 0.0000000 -0.5458812 0.0000000 -1.4705847 0.0000000 -0.3283432 0.0000000 -0.8664506 15 Si -1.5464933 0.0000000 0.5458812 0.0000000 -1.4705847 0.0000000 0.3283432 0.0000000 -0.8664506 16 Si -1.5464933 0.0000000 0.5458812 0.0000000 -1.4705847 0.0000000 0.3283432 0.0000000 -0.8664506 17 Ba 3.1753653 0.0000000 -0.7884243 0.0000000 2.2888864 0.0000000 -0.0958568 0.0000000 2.4097929 18 Ba 3.1753653 0.0000000 -0.7884243 0.0000000 2.2888864 0.0000000 -0.0958568 0.0000000 2.4097929 19 Ba 3.1753653 0.0000000 0.7884243 0.0000000 2.2888864 0.0000000 0.0958568 0.0000000 2.4097929 20 Ba 3.1753653 0.0000000 0.7884243 0.0000000 2.2888864 0.0000000 0.0958568 0.0000000 2.4097929 21 Ba 2.8735258 0.0000000 0.1722031 0.0000000 3.1273467 0.0000000 0.0536350 0.0000000 2.9998506 22 Ba 2.8735258 0.0000000 0.1722031 0.0000000 3.1273467 0.0000000 0.0536350 0.0000000 2.9998506 23 Ba 2.8735258 0.0000000 -0.1722031 0.0000000 3.1273467 0.0000000 -0.0536350 0.0000000 2.9998506 24 Ba 2.8735258 0.0000000 -0.1722031 0.0000000 3.1273467 0.0000000 -0.0536350 0.0000000 2.9998506 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yxy) -0.00000001 (yxy) -0.00000001 (yyx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 6 8 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.47, Number of G-points: 297, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.629 ( 0.000 0.000 0.000) 0.000 1.664 ( 0.000 0.000 0.000) 0.000 1.681 ( 0.000 0.000 0.000) 0.000 1.828 ( 0.000 0.000 0.000) 0.000 1.893 ( 0.000 0.000 0.000) 0.000 1.939 ( 0.000 0.000 0.000) 0.000 1.964 ( 0.000 0.000 0.000) 0.000 2.168 ( 0.000 0.000 0.000) 0.000 2.201 ( 0.000 0.000 0.000) 0.000 2.209 ( 0.000 0.000 0.000) 0.000 2.248 ( 0.000 0.000 0.000) 0.000 2.293 ( 0.000 0.000 0.000) 0.000 2.328 ( 0.000 0.000 0.000) 0.000 2.353 ( 0.000 0.000 0.000) 0.000 2.357 ( 0.000 0.000 0.000) 0.000 2.432 ( 0.000 0.000 0.000) 0.000 2.474 ( 0.000 0.000 0.000) 0.000 2.515 ( 0.000 0.000 0.000) 0.000 2.609 ( 0.000 0.000 0.000) 0.000 2.860 ( 0.000 0.000 0.000) 0.000 3.075 ( 0.000 0.000 0.000) 0.000 3.081 ( 0.000 0.000 0.000) 0.000 3.301 ( 0.000 0.000 0.000) 0.000 3.524 ( 0.000 0.000 0.000) 0.000 3.533 ( 0.000 0.000 0.000) 0.000 3.581 ( 0.000 0.000 0.000) 0.000 3.599 ( 0.000 0.000 0.000) 0.000 3.612 ( 0.000 0.000 0.000) 0.000 3.638 ( 0.000 0.000 0.000) 0.000 3.656 ( 0.000 0.000 0.000) 0.000 3.706 ( 0.000 0.000 0.000) 0.000 3.801 ( 0.000 0.000 0.000) 0.000 3.849 ( 0.000 0.000 0.000) 0.000 4.280 ( 0.000 0.000 0.000) 0.000 4.281 ( 0.000 0.000 0.000) 0.000 4.328 ( 0.000 0.000 0.000) 0.000 4.368 ( 0.000 0.000 0.000) 0.000 4.371 ( 0.000 0.000 0.000) 0.000 4.409 ( 0.000 0.000 0.000) 0.000 4.439 ( 0.000 0.000 0.000) 0.000 4.444 ( 0.000 0.000 0.000) 0.000 4.513 ( 0.000 0.000 0.000) 0.000 4.545 ( 0.000 0.000 0.000) 0.000 4.592 ( 0.000 0.000 0.000) 0.000 4.625 ( 0.000 0.000 0.000) 0.000 8.129 ( 0.000 0.000 0.000) 0.000 8.210 ( 0.000 0.000 0.000) 0.000 8.271 ( 0.000 0.000 0.000) 0.000 8.345 ( 0.000 0.000 0.000) 0.000 8.684 ( 0.000 0.000 0.000) 0.000 8.724 ( 0.000 0.000 0.000) 0.000 8.726 ( 0.000 0.000 0.000) 0.000 8.791 ( 0.000 0.000 0.000) 0.000 10.487 ( 0.000 0.000 0.000) 0.000 10.550 ( 0.000 0.000 0.000) 0.000 10.589 ( 0.000 0.000 0.000) 0.000 10.649 ( 0.000 0.000 0.000) 0.000 10.801 ( 0.000 0.000 0.000) 0.000 10.856 ( 0.000 0.000 0.000) 0.000 10.862 ( 0.000 0.000 0.000) 0.000 10.909 ( 0.000 0.000 0.000) 0.000 11.244 ( 0.000 0.000 0.000) 0.000 11.324 ( 0.000 0.000 0.000) 0.000 11.334 ( 0.000 0.000 0.000) 0.000 11.342 ( 0.000 0.000 0.000) 0.000 14.448 ( 0.000 0.000 0.000) 0.000 14.555 ( 0.000 0.000 0.000) 0.000 14.557 ( 0.000 0.000 0.000) 0.000 14.592 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 23.851 0.000 0.000) 23.851 0.457 ( 24.017 0.000 0.000) 24.017 0.663 ( 34.334 0.000 0.000) 34.334 1.626 ( -4.555 0.000 0.000) 4.555 1.644 ( -1.944 0.000 0.000) 1.944 1.655 ( 2.738 0.000 0.000) 2.738 1.746 ( -7.629 0.000 0.000) 7.629 1.845 ( -9.177 0.000 0.000) 9.177 1.918 ( 1.502 0.000 0.000) 1.502 1.967 ( -0.608 0.000 0.000) 0.608 2.135 ( -5.597 0.000 0.000) 5.597 2.154 ( -1.117 0.000 0.000) 1.117 2.173 ( -2.533 0.000 0.000) 2.533 2.283 ( 2.068 0.000 0.000) 2.068 2.298 ( -0.977 0.000 0.000) 0.977 2.329 ( 0.072 0.000 0.000) 0.072 2.364 ( -3.155 0.000 0.000) 3.155 2.374 ( 1.201 0.000 0.000) 1.201 2.382 ( 2.202 0.000 0.000) 2.202 2.509 ( -1.105 0.000 0.000) 1.105 2.530 ( 1.768 0.000 0.000) 1.768 2.715 ( 9.388 0.000 0.000) 9.388 2.898 ( 2.440 0.000 0.000) 2.440 2.946 ( -11.614 0.000 0.000) 11.614 3.140 ( 6.294 0.000 0.000) 6.294 3.322 ( 2.247 0.000 0.000) 2.247 3.525 ( 0.042 0.000 0.000) 0.042 3.532 ( -0.164 0.000 0.000) 0.164 3.584 ( 0.387 0.000 0.000) 0.387 3.609 ( -0.298 0.000 0.000) 0.298 3.636 ( -0.259 0.000 0.000) 0.259 3.666 ( 0.996 0.000 0.000) 0.996 3.682 ( -2.434 0.000 0.000) 2.434 3.830 ( -1.958 0.000 0.000) 1.958 3.840 ( 3.050 0.000 0.000) 3.050 3.905 ( 0.025 0.000 0.000) 0.025 4.281 ( 0.155 0.000 0.000) 0.155 4.293 ( 1.274 0.000 0.000) 1.274 4.359 ( 0.105 0.000 0.000) 0.105 4.370 ( -0.271 0.000 0.000) 0.271 4.393 ( 5.205 0.000 0.000) 5.205 4.399 ( -0.844 0.000 0.000) 0.844 4.451 ( 0.624 0.000 0.000) 0.624 4.454 ( 1.418 0.000 0.000) 1.418 4.502 ( -0.636 0.000 0.000) 0.636 4.584 ( -0.879 0.000 0.000) 0.879 4.620 ( -0.550 0.000 0.000) 0.550 5.015 ( -3.803 0.000 0.000) 3.803 8.144 ( 1.534 0.000 0.000) 1.534 8.233 ( -0.048 0.000 0.000) 0.048 8.268 ( -0.419 0.000 0.000) 0.419 8.328 ( -1.681 0.000 0.000) 1.681 8.673 ( -0.540 0.000 0.000) 0.540 8.719 ( -0.552 0.000 0.000) 0.552 8.750 ( 1.945 0.000 0.000) 1.945 8.795 ( 0.454 0.000 0.000) 0.454 10.493 ( 0.655 0.000 0.000) 0.655 10.548 ( -0.216 0.000 0.000) 0.216 10.580 ( -0.965 0.000 0.000) 0.965 10.636 ( -1.417 0.000 0.000) 1.417 10.800 ( -0.054 0.000 0.000) 0.054 10.837 ( -1.146 0.000 0.000) 1.146 10.878 ( 0.848 0.000 0.000) 0.848 10.908 ( -0.113 0.000 0.000) 0.113 11.243 ( -0.006 0.000 0.000) 0.006 11.310 ( -1.106 0.000 0.000) 1.106 11.342 ( 0.784 0.000 0.000) 0.784 11.352 ( 0.678 0.000 0.000) 0.678 14.460 ( 1.221 0.000 0.000) 1.221 14.555 ( -0.214 0.000 0.000) 0.214 14.556 ( 0.060 0.000 0.000) 0.060 14.587 ( -0.526 0.000 0.000) 0.526 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 21.537 0.000 0.000) 21.537 0.893 ( 22.236 0.000 0.000) 22.236 1.260 ( 28.121 0.000 0.000) 28.121 1.550 ( -13.197 0.000 0.000) 13.197 1.558 ( -1.964 0.000 0.000) 1.964 1.579 ( -8.444 0.000 0.000) 8.444 1.643 ( -8.039 0.000 0.000) 8.039 1.728 ( 4.957 0.000 0.000) 4.957 1.912 ( -5.749 0.000 0.000) 5.749 1.923 ( -2.231 0.000 0.000) 2.231 2.045 ( -2.238 0.000 0.000) 2.238 2.118 ( -3.123 0.000 0.000) 3.123 2.153 ( 2.171 0.000 0.000) 2.171 2.296 ( 0.575 0.000 0.000) 0.575 2.309 ( -1.427 0.000 0.000) 1.427 2.322 ( 2.159 0.000 0.000) 2.159 2.362 ( 1.989 0.000 0.000) 1.989 2.384 ( -0.364 0.000 0.000) 0.364 2.415 ( 1.045 0.000 0.000) 1.045 2.487 ( -1.026 0.000 0.000) 1.026 2.525 ( -1.729 0.000 0.000) 1.729 2.625 ( -18.597 0.000 0.000) 18.597 2.897 ( 8.735 0.000 0.000) 8.735 2.993 ( 3.740 0.000 0.000) 3.740 3.278 ( 7.566 0.000 0.000) 7.566 3.374 ( 2.737 0.000 0.000) 2.737 3.521 ( -0.530 0.000 0.000) 0.530 3.522 ( -0.935 0.000 0.000) 0.935 3.597 ( 0.964 0.000 0.000) 0.964 3.600 ( -0.607 0.000 0.000) 0.607 3.629 ( -0.476 0.000 0.000) 0.476 3.629 ( -2.661 0.000 0.000) 2.661 3.688 ( 1.254 0.000 0.000) 1.254 3.778 ( -3.348 0.000 0.000) 3.348 3.887 ( 1.689 0.000 0.000) 1.689 3.906 ( 0.093 0.000 0.000) 0.093 4.290 ( 0.820 0.000 0.000) 0.820 4.323 ( 1.771 0.000 0.000) 1.771 4.345 ( -1.379 0.000 0.000) 1.379 4.369 ( 0.275 0.000 0.000) 0.275 4.380 ( -1.144 0.000 0.000) 1.144 4.421 ( -2.043 0.000 0.000) 2.043 4.487 ( 1.971 0.000 0.000) 1.971 4.506 ( 2.855 0.000 0.000) 2.855 4.560 ( -1.619 0.000 0.000) 1.619 4.566 ( 9.056 0.000 0.000) 9.056 4.600 ( -1.630 0.000 0.000) 1.630 4.911 ( -7.264 0.000 0.000) 7.264 8.182 ( 2.257 0.000 0.000) 2.257 8.236 ( 0.474 0.000 0.000) 0.474 8.254 ( -1.173 0.000 0.000) 1.173 8.290 ( -2.206 0.000 0.000) 2.206 8.671 ( 0.340 0.000 0.000) 0.340 8.704 ( -1.008 0.000 0.000) 1.008 8.785 ( 1.581 0.000 0.000) 1.581 8.805 ( 0.401 0.000 0.000) 0.401 10.513 ( 1.455 0.000 0.000) 1.455 10.545 ( 0.009 0.000 0.000) 0.009 10.559 ( -1.111 0.000 0.000) 1.111 10.599 ( -2.290 0.000 0.000) 2.290 10.800 ( 0.081 0.000 0.000) 0.081 10.817 ( -0.906 0.000 0.000) 0.906 10.891 ( 0.574 0.000 0.000) 0.574 10.905 ( -0.218 0.000 0.000) 0.218 11.248 ( 0.529 0.000 0.000) 0.529 11.287 ( -1.330 0.000 0.000) 1.330 11.358 ( 0.730 0.000 0.000) 0.730 11.363 ( 0.441 0.000 0.000) 0.441 14.490 ( 1.779 0.000 0.000) 1.779 14.546 ( -0.879 0.000 0.000) 0.879 14.559 ( 0.242 0.000 0.000) 0.242 14.575 ( -0.606 0.000 0.000) 0.606 ======================= Grid point 3 (4/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -17.978 0.000 0.000) 17.978 1.256 ( 17.978 0.000 0.000) 17.978 1.281 ( -18.834 0.000 0.000) 18.834 1.281 ( 18.834 0.000 0.000) 18.834 1.551 ( -0.176 0.000 0.000) 0.176 1.551 ( 0.176 0.000 0.000) 0.176 1.725 ( -14.773 0.000 0.000) 14.773 1.725 ( 14.773 0.000 0.000) 14.773 1.833 ( -5.957 0.000 0.000) 5.957 1.833 ( 5.957 0.000 0.000) 5.957 2.062 ( -2.651 0.000 0.000) 2.651 2.062 ( 2.651 0.000 0.000) 2.651 2.267 ( -6.977 0.000 0.000) 6.977 2.267 ( 6.977 0.000 0.000) 6.977 2.328 ( -6.569 0.000 0.000) 6.569 2.328 ( 6.569 0.000 0.000) 6.569 2.361 ( -1.833 0.000 0.000) 1.833 2.361 ( 1.833 0.000 0.000) 1.833 2.408 ( -1.787 0.000 0.000) 1.787 2.408 ( 1.787 0.000 0.000) 1.787 2.489 ( -1.546 0.000 0.000) 1.546 2.489 ( 1.546 0.000 0.000) 1.546 3.008 ( -2.618 0.000 0.000) 2.618 3.008 ( 2.618 0.000 0.000) 2.618 3.386 ( -2.770 0.000 0.000) 2.770 3.386 ( 2.770 0.000 0.000) 2.770 3.509 ( -0.187 0.000 0.000) 0.187 3.509 ( 0.187 0.000 0.000) 0.187 3.597 ( -0.640 0.000 0.000) 0.640 3.597 ( 0.640 0.000 0.000) 0.640 3.616 ( -0.940 0.000 0.000) 0.940 3.616 ( 0.940 0.000 0.000) 0.940 3.720 ( -2.479 0.000 0.000) 2.479 3.720 ( 2.479 0.000 0.000) 2.479 3.905 ( -0.373 0.000 0.000) 0.373 3.905 ( 0.373 0.000 0.000) 0.373 4.314 ( -1.681 0.000 0.000) 1.681 4.314 ( 1.681 0.000 0.000) 1.681 4.355 ( -1.547 0.000 0.000) 1.547 4.355 ( 1.547 0.000 0.000) 1.547 4.385 ( -1.481 0.000 0.000) 1.481 4.385 ( 1.481 0.000 0.000) 1.481 4.525 ( -2.035 0.000 0.000) 2.035 4.525 ( 2.035 0.000 0.000) 2.035 4.559 ( -2.705 0.000 0.000) 2.705 4.559 ( 2.705 0.000 0.000) 2.705 4.750 ( -9.649 0.000 0.000) 9.649 4.750 ( 9.649 0.000 0.000) 9.649 8.223 ( -2.033 0.000 0.000) 2.033 8.223 ( 2.033 0.000 0.000) 2.033 8.254 ( -1.467 0.000 0.000) 1.467 8.254 ( 1.467 0.000 0.000) 1.467 8.684 ( -0.962 0.000 0.000) 0.962 8.684 ( 0.962 0.000 0.000) 0.962 8.805 ( -0.475 0.000 0.000) 0.475 8.805 ( 0.475 0.000 0.000) 0.475 10.540 ( -1.049 0.000 0.000) 1.049 10.540 ( 1.049 0.000 0.000) 1.049 10.558 ( -1.753 0.000 0.000) 1.753 10.558 ( 1.753 0.000 0.000) 1.753 10.805 ( -0.459 0.000 0.000) 0.459 10.805 ( 0.459 0.000 0.000) 0.459 10.900 ( -0.357 0.000 0.000) 0.357 10.900 ( 0.357 0.000 0.000) 0.357 11.263 ( -1.116 0.000 0.000) 1.116 11.263 ( 1.116 0.000 0.000) 1.116 11.366 ( -0.139 0.000 0.000) 0.139 11.366 ( 0.139 0.000 0.000) 0.139 14.522 ( -1.566 0.000 0.000) 1.566 14.522 ( 1.566 0.000 0.000) 1.566 14.565 ( -0.459 0.000 0.000) 0.459 14.565 ( 0.459 0.000 0.000) 0.459 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( 0.000 23.076 0.000) 23.076 0.471 ( 0.000 24.445 0.000) 24.445 0.792 ( 0.000 40.467 0.000) 40.467 1.681 ( 0.000 0.124 0.000) 0.124 1.693 ( 0.000 3.151 0.000) 3.151 1.710 ( 0.000 7.666 0.000) 7.666 1.856 ( 0.000 2.097 0.000) 2.097 1.961 ( 0.000 2.281 0.000) 2.281 1.963 ( 0.000 0.028 0.000) 0.028 1.964 ( 0.000 6.810 0.000) 6.810 2.160 ( 0.000 -4.184 0.000) 4.184 2.171 ( 0.000 0.480 0.000) 0.480 2.245 ( 0.000 -0.279 0.000) 0.279 2.245 ( 0.000 -5.966 0.000) 5.966 2.248 ( 0.000 1.954 0.000) 1.954 2.318 ( 0.000 -1.463 0.000) 1.463 2.333 ( 0.000 6.590 0.000) 6.590 2.420 ( 0.000 -1.052 0.000) 1.052 2.458 ( 0.000 -1.660 0.000) 1.660 2.472 ( 0.000 5.347 0.000) 5.347 2.488 ( 0.000 -2.882 0.000) 2.882 2.605 ( 0.000 0.044 0.000) 0.044 2.825 ( 0.000 -2.620 0.000) 2.620 3.021 ( 0.000 -5.715 0.000) 5.715 3.149 ( 0.000 6.263 0.000) 6.263 3.415 ( 0.000 3.733 0.000) 3.733 3.465 ( 0.000 -4.256 0.000) 4.256 3.538 ( 0.000 -0.210 0.000) 0.210 3.613 ( 0.000 3.133 0.000) 3.133 3.619 ( 0.000 2.292 0.000) 2.292 3.657 ( 0.000 -2.662 0.000) 2.662 3.683 ( 0.000 5.442 0.000) 5.442 3.704 ( 0.000 4.705 0.000) 4.705 3.790 ( 0.000 -0.974 0.000) 0.974 3.824 ( 0.000 1.945 0.000) 1.945 3.841 ( 0.000 -0.563 0.000) 0.563 4.281 ( 0.000 0.029 0.000) 0.029 4.286 ( 0.000 0.611 0.000) 0.611 4.327 ( 0.000 -0.084 0.000) 0.084 4.358 ( 0.000 -1.360 0.000) 1.360 4.388 ( 0.000 1.905 0.000) 1.905 4.401 ( 0.000 -0.636 0.000) 0.636 4.444 ( 0.000 0.024 0.000) 0.024 4.479 ( 0.000 -2.741 0.000) 2.741 4.540 ( 0.000 -0.515 0.000) 0.515 4.600 ( 0.000 0.284 0.000) 0.284 4.613 ( 0.000 -1.235 0.000) 1.235 5.016 ( 0.000 -4.556 0.000) 4.556 8.134 ( 0.000 0.468 0.000) 0.468 8.208 ( 0.000 -0.196 0.000) 0.196 8.275 ( 0.000 0.365 0.000) 0.365 8.343 ( 0.000 -0.217 0.000) 0.217 8.688 ( 0.000 0.423 0.000) 0.423 8.727 ( 0.000 0.089 0.000) 0.089 8.733 ( 0.000 0.641 0.000) 0.641 8.793 ( 0.000 0.210 0.000) 0.210 10.490 ( 0.000 0.281 0.000) 0.281 10.548 ( 0.000 -0.239 0.000) 0.239 10.593 ( 0.000 0.399 0.000) 0.399 10.650 ( 0.000 0.058 0.000) 0.058 10.811 ( 0.000 1.086 0.000) 1.086 10.863 ( 0.000 0.714 0.000) 0.714 10.868 ( 0.000 0.635 0.000) 0.635 10.912 ( 0.000 0.271 0.000) 0.271 11.248 ( 0.000 0.385 0.000) 0.385 11.324 ( 0.000 0.062 0.000) 0.062 11.331 ( 0.000 -0.349 0.000) 0.349 11.341 ( 0.000 -0.093 0.000) 0.093 14.459 ( 0.000 1.122 0.000) 1.122 14.558 ( 0.000 0.276 0.000) 0.276 14.559 ( 0.000 0.224 0.000) 0.224 14.592 ( 0.000 -0.057 0.000) 0.057 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.17 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 12.502 15.741 0.000) 20.102 0.625 ( 16.720 15.300 0.000) 22.664 1.074 ( 22.476 29.962 0.000) 37.455 1.611 ( -5.723 -0.588 0.000) 5.753 1.677 ( -1.593 3.635 0.000) 3.969 1.732 ( 1.846 6.992 0.000) 7.231 1.835 ( -4.273 7.820 0.000) 8.911 1.869 ( -8.000 3.028 0.000) 8.554 1.919 ( -3.372 -1.018 0.000) 3.523 1.982 ( 1.288 2.032 0.000) 2.406 2.129 ( -1.728 -0.480 0.000) 1.793 2.148 ( -1.781 -0.092 0.000) 1.783 2.195 ( -1.866 -1.099 0.000) 2.166 2.277 ( 1.885 -0.199 0.000) 1.896 2.313 ( 3.051 0.637 0.000) 3.117 2.316 ( -0.252 -1.264 0.000) 1.289 2.332 ( -0.707 3.343 0.000) 3.417 2.368 ( -2.757 -0.073 0.000) 2.758 2.454 ( -1.185 1.253 0.000) 1.724 2.482 ( -0.354 0.433 0.000) 0.559 2.498 ( 1.676 -3.073 0.000) 3.500 2.699 ( 8.466 -1.195 0.000) 8.550 2.856 ( 2.461 -3.316 0.000) 4.130 2.920 ( -9.240 -2.502 0.000) 9.573 3.193 ( 4.235 4.439 0.000) 6.136 3.373 ( 0.119 3.477 0.000) 3.479 3.474 ( 0.761 -3.766 0.000) 3.842 3.552 ( -1.033 1.630 0.000) 1.930 3.611 ( 0.163 2.919 0.000) 2.924 3.641 ( 0.340 -0.145 0.000) 0.370 3.657 ( -0.169 -0.852 0.000) 0.869 3.667 ( -1.371 4.046 0.000) 4.272 3.715 ( 0.910 4.798 0.000) 4.884 3.825 ( -1.525 -0.157 0.000) 1.533 3.828 ( 3.005 -0.983 0.000) 3.162 3.889 ( 2.951 -0.672 0.000) 3.027 4.272 ( -0.369 -0.237 0.000) 0.439 4.297 ( 1.101 0.432 0.000) 1.183 4.360 ( 0.108 -1.020 0.000) 1.026 4.371 ( 2.349 0.434 0.000) 2.388 4.398 ( 2.809 0.999 0.000) 2.982 4.405 ( 0.326 -0.430 0.000) 0.540 4.446 ( -0.154 -0.397 0.000) 0.425 4.473 ( -0.123 -2.247 0.000) 2.250 4.511 ( -1.447 3.098 0.000) 3.419 4.593 ( -0.686 0.428 0.000) 0.809 4.610 ( -0.359 -1.047 0.000) 1.107 4.951 ( -4.809 -5.426 0.000) 7.250 8.149 ( 1.525 0.457 0.000) 1.592 8.222 ( 0.729 -0.678 0.000) 0.996 8.271 ( -0.429 0.351 0.000) 0.554 8.327 ( -1.581 -0.111 0.000) 1.585 8.679 ( -0.392 0.613 0.000) 0.727 8.726 ( -0.548 0.750 0.000) 0.929 8.750 ( 1.899 0.004 0.000) 1.899 8.800 ( 0.458 0.298 0.000) 0.546 10.496 ( 0.689 0.318 0.000) 0.759 10.547 ( -0.107 -0.128 0.000) 0.167 10.584 ( -0.923 0.440 0.000) 1.022 10.636 ( -1.399 0.055 0.000) 1.400 10.811 ( -0.040 1.101 0.000) 1.102 10.845 ( -1.064 0.840 0.000) 1.356 10.883 ( 0.782 0.525 0.000) 0.942 10.912 ( -0.088 0.308 0.000) 0.320 11.247 ( 0.037 0.437 0.000) 0.439 11.312 ( -1.049 0.141 0.000) 1.058 11.339 ( 0.770 -0.368 0.000) 0.853 11.350 ( 0.635 -0.195 0.000) 0.664 14.470 ( 1.135 1.035 0.000) 1.536 14.557 ( -0.184 0.249 0.000) 0.310 14.559 ( 0.073 0.257 0.000) 0.267 14.587 ( -0.475 -0.002 0.000) 0.475 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 20.317 3.337 0.000) 20.589 0.977 ( 19.534 8.401 0.000) 21.264 1.487 ( 18.816 16.126 0.000) 24.781 1.494 ( -7.980 -1.222 0.000) 8.073 1.618 ( -10.272 3.892 0.000) 10.984 1.659 ( -4.147 5.378 0.000) 6.791 1.686 ( -8.647 6.590 0.000) 10.872 1.832 ( 4.937 8.837 0.000) 10.122 1.858 ( -3.805 0.123 0.000) 3.807 2.012 ( 1.035 4.554 0.000) 4.671 2.088 ( -2.428 4.015 0.000) 4.692 2.129 ( 0.034 -0.003 0.000) 0.034 2.176 ( 0.420 1.641 0.000) 1.694 2.290 ( -1.737 -1.564 0.000) 2.337 2.307 ( -0.920 2.291 0.000) 2.469 2.314 ( 2.564 -1.031 0.000) 2.763 2.362 ( 1.259 -0.019 0.000) 1.260 2.364 ( 1.960 -0.432 0.000) 2.007 2.425 ( -2.066 -1.602 0.000) 2.614 2.478 ( -0.139 1.325 0.000) 1.332 2.502 ( -0.982 -2.362 0.000) 2.558 2.651 ( -16.158 2.966 0.000) 16.428 2.866 ( 8.192 -2.669 0.000) 8.616 2.951 ( 3.994 -3.853 0.000) 5.550 3.288 ( 5.536 0.659 0.000) 5.575 3.399 ( 1.421 1.306 0.000) 1.930 3.487 ( 0.526 -2.370 0.000) 2.428 3.519 ( -2.128 -0.177 0.000) 2.135 3.621 ( 0.746 2.883 0.000) 2.978 3.629 ( -1.090 0.463 0.000) 1.184 3.640 ( -1.370 2.591 0.000) 2.931 3.653 ( -0.383 1.798 0.000) 1.838 3.733 ( 1.014 4.385 0.000) 4.501 3.788 ( -2.120 1.481 0.000) 2.586 3.876 ( 1.916 -0.963 0.000) 2.145 3.910 ( -0.072 0.070 0.000) 0.100 4.277 ( 0.876 -0.563 0.000) 1.041 4.314 ( 0.281 -0.114 0.000) 0.304 4.364 ( 0.440 -0.498 0.000) 0.665 4.378 ( 0.070 2.157 0.000) 2.158 4.407 ( -0.254 0.996 0.000) 1.028 4.419 ( -1.879 -0.109 0.000) 1.882 4.482 ( 2.143 -1.604 0.000) 2.677 4.501 ( 0.159 1.903 0.000) 1.910 4.530 ( 6.814 -2.547 0.000) 7.275 4.583 ( 0.502 0.800 0.000) 0.945 4.597 ( -1.087 -0.459 0.000) 1.180 4.845 ( -6.644 -6.082 0.000) 9.007 8.186 ( 2.240 0.430 0.000) 2.281 8.234 ( 0.755 -0.136 0.000) 0.767 8.257 ( -1.164 0.342 0.000) 1.213 8.291 ( -2.119 0.095 0.000) 2.121 8.680 ( 0.453 0.878 0.000) 0.988 8.713 ( -0.915 0.902 0.000) 1.285 8.785 ( 1.593 -0.040 0.000) 1.593 8.807 ( 0.261 0.217 0.000) 0.339 10.516 ( 1.469 0.369 0.000) 1.515 10.546 ( 0.149 0.127 0.000) 0.195 10.563 ( -1.110 0.484 0.000) 1.211 10.601 ( -2.199 0.152 0.000) 2.205 10.811 ( 0.086 1.122 0.000) 1.126 10.827 ( -0.836 0.993 0.000) 1.298 10.895 ( 0.531 0.414 0.000) 0.673 10.909 ( -0.220 0.342 0.000) 0.406 11.252 ( 0.536 0.499 0.000) 0.733 11.290 ( -1.234 0.291 0.000) 1.268 11.354 ( 0.730 -0.387 0.000) 0.826 11.360 ( 0.403 -0.295 0.000) 0.499 14.498 ( 1.648 0.817 0.000) 1.840 14.549 ( -0.794 0.354 0.000) 0.869 14.561 ( 0.230 0.251 0.000) 0.340 14.577 ( -0.547 0.111 0.000) 0.558 ======================= Grid point 10 (8/60) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -17.505 0.222 0.000) 17.506 1.244 ( 17.505 0.222 0.000) 17.506 1.331 ( -17.372 4.745 0.000) 18.008 1.331 ( 17.372 4.745 0.000) 18.008 1.610 ( -0.306 2.062 0.000) 2.085 1.610 ( 0.306 2.062 0.000) 2.085 1.758 ( -7.681 8.328 0.000) 11.329 1.758 ( 7.681 8.328 0.000) 11.329 1.950 ( -6.337 8.468 0.000) 10.576 1.950 ( 6.337 8.468 0.000) 10.576 2.103 ( -2.591 3.627 0.000) 4.457 2.103 ( 2.591 3.627 0.000) 4.457 2.255 ( -3.569 -1.392 0.000) 3.831 2.255 ( 3.569 -1.392 0.000) 3.831 2.352 ( -8.231 2.895 0.000) 8.725 2.352 ( 8.231 2.895 0.000) 8.725 2.372 ( -2.847 -1.152 0.000) 3.072 2.372 ( 2.847 -1.152 0.000) 3.072 2.391 ( -2.033 1.025 0.000) 2.277 2.391 ( 2.033 1.025 0.000) 2.277 2.482 ( -0.830 -0.269 0.000) 0.872 2.482 ( 0.830 -0.269 0.000) 0.872 2.971 ( -2.398 -3.422 0.000) 4.179 2.971 ( 2.398 -3.422 0.000) 4.179 3.382 ( -3.669 -1.150 0.000) 3.845 3.382 ( 3.669 -1.150 0.000) 3.845 3.493 ( -0.392 -0.800 0.000) 0.891 3.493 ( 0.392 -0.800 0.000) 0.891 3.618 ( -0.235 2.104 0.000) 2.117 3.618 ( 0.235 2.104 0.000) 2.117 3.641 ( -0.849 2.016 0.000) 2.188 3.641 ( 0.849 2.016 0.000) 2.188 3.754 ( -1.368 3.552 0.000) 3.806 3.754 ( 1.368 3.552 0.000) 3.806 3.901 ( -0.834 -0.504 0.000) 0.974 3.901 ( 0.834 -0.504 0.000) 0.974 4.300 ( -1.401 -0.438 0.000) 1.467 4.300 ( 1.401 -0.438 0.000) 1.467 4.377 ( -0.733 0.049 0.000) 0.735 4.377 ( 0.733 0.049 0.000) 0.735 4.398 ( -0.248 2.092 0.000) 2.107 4.398 ( 0.248 2.092 0.000) 2.107 4.505 ( -0.183 -0.849 0.000) 0.869 4.505 ( 0.183 -0.849 0.000) 0.869 4.574 ( -1.065 0.639 0.000) 1.242 4.574 ( 1.065 0.639 0.000) 1.242 4.702 ( -8.409 -4.530 0.000) 9.551 4.702 ( 8.409 -4.530 0.000) 9.551 8.227 ( -2.003 0.384 0.000) 2.040 8.227 ( 2.003 0.384 0.000) 2.040 8.255 ( -1.526 0.139 0.000) 1.533 8.255 ( 1.526 0.139 0.000) 1.533 8.694 ( -0.970 0.993 0.000) 1.388 8.694 ( 0.970 0.993 0.000) 1.388 8.806 ( -0.556 0.036 0.000) 0.558 8.806 ( 0.556 0.036 0.000) 0.558 10.544 ( -1.111 0.409 0.000) 1.184 10.544 ( 1.111 0.409 0.000) 1.184 10.561 ( -1.725 0.280 0.000) 1.747 10.561 ( 1.725 0.280 0.000) 1.747 10.815 ( -0.426 1.096 0.000) 1.176 10.815 ( 0.426 1.096 0.000) 1.176 10.903 ( -0.345 0.357 0.000) 0.497 10.903 ( 0.345 0.357 0.000) 0.497 11.268 ( -1.052 0.448 0.000) 1.144 11.268 ( 1.052 0.448 0.000) 1.144 11.363 ( -0.163 -0.363 0.000) 0.398 11.363 ( 0.163 -0.363 0.000) 0.398 14.528 ( -1.439 0.562 0.000) 1.545 14.528 ( 1.439 0.562 0.000) 1.545 14.567 ( -0.420 0.203 0.000) 0.467 14.567 ( 0.420 0.203 0.000) 0.467 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 0.000 21.788 0.000) 21.788 0.909 ( 0.000 21.825 0.000) 21.825 1.468 ( 0.000 28.061 0.000) 28.061 1.691 ( 0.000 1.021 0.000) 1.021 1.792 ( 0.000 8.806 0.000) 8.806 1.871 ( 0.000 -0.712 0.000) 0.712 1.872 ( 0.000 8.641 0.000) 8.641 1.946 ( 0.000 -3.375 0.000) 3.375 2.021 ( 0.000 3.726 0.000) 3.726 2.100 ( 0.000 -1.228 0.000) 1.228 2.102 ( 0.000 6.145 0.000) 6.145 2.139 ( 0.000 -4.888 0.000) 4.888 2.200 ( 0.000 3.307 0.000) 3.307 2.243 ( 0.000 -1.732 0.000) 1.732 2.250 ( 0.000 1.682 0.000) 1.682 2.276 ( 0.000 -2.531 0.000) 2.531 2.399 ( 0.000 -4.663 0.000) 4.663 2.399 ( 0.000 -0.936 0.000) 0.936 2.410 ( 0.000 -3.519 0.000) 3.519 2.501 ( 0.000 4.482 0.000) 4.482 2.547 ( 0.000 2.397 0.000) 2.397 2.663 ( 0.000 8.771 0.000) 8.771 2.783 ( 0.000 -1.719 0.000) 1.719 2.895 ( 0.000 -6.972 0.000) 6.972 3.263 ( 0.000 4.997 0.000) 4.997 3.396 ( 0.000 -2.788 0.000) 2.788 3.465 ( 0.000 0.986 0.000) 0.986 3.521 ( 0.000 -1.216 0.000) 1.216 3.649 ( 0.000 -0.461 0.000) 0.461 3.670 ( 0.000 3.137 0.000) 3.137 3.670 ( 0.000 3.992 0.000) 3.992 3.759 ( 0.000 -0.503 0.000) 0.503 3.794 ( 0.000 5.849 0.000) 5.849 3.824 ( 0.000 5.674 0.000) 5.674 3.838 ( 0.000 -0.608 0.000) 0.608 3.848 ( 0.000 1.895 0.000) 1.895 4.279 ( 0.000 -0.369 0.000) 0.369 4.304 ( 0.000 1.150 0.000) 1.150 4.321 ( 0.000 -2.383 0.000) 2.383 4.322 ( 0.000 -0.477 0.000) 0.477 4.399 ( 0.000 0.803 0.000) 0.803 4.429 ( 0.000 2.214 0.000) 2.214 4.436 ( 0.000 -1.470 0.000) 1.470 4.446 ( 0.000 0.216 0.000) 0.216 4.527 ( 0.000 -0.762 0.000) 0.762 4.580 ( 0.000 -2.180 0.000) 2.180 4.592 ( 0.000 -1.101 0.000) 1.101 4.894 ( 0.000 -8.059 0.000) 8.059 8.146 ( 0.000 0.789 0.000) 0.789 8.202 ( 0.000 -0.410 0.000) 0.410 8.285 ( 0.000 0.645 0.000) 0.645 8.337 ( 0.000 -0.436 0.000) 0.436 8.698 ( 0.000 0.677 0.000) 0.677 8.729 ( 0.000 0.051 0.000) 0.051 8.750 ( 0.000 1.041 0.000) 1.041 8.797 ( 0.000 0.142 0.000) 0.142 10.497 ( 0.000 0.526 0.000) 0.526 10.542 ( 0.000 -0.418 0.000) 0.418 10.604 ( 0.000 0.756 0.000) 0.756 10.650 ( 0.000 -0.055 0.000) 0.055 10.839 ( 0.000 1.733 0.000) 1.733 10.880 ( 0.000 0.980 0.000) 0.980 10.883 ( 0.000 0.878 0.000) 0.878 10.917 ( 0.000 0.154 0.000) 0.154 11.258 ( 0.000 0.694 0.000) 0.694 11.321 ( 0.000 -0.639 0.000) 0.639 11.326 ( 0.000 0.113 0.000) 0.113 11.339 ( 0.000 -0.164 0.000) 0.164 14.487 ( 0.000 1.773 0.000) 1.773 14.563 ( 0.000 0.201 0.000) 0.201 14.565 ( 0.000 0.383 0.000) 0.383 14.590 ( 0.000 -0.140 0.000) 0.140 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 2.352 20.705 0.000) 20.838 0.953 ( 9.170 18.350 0.000) 20.513 1.568 ( 6.794 16.394 0.000) 17.746 1.614 ( -6.034 0.789 0.000) 6.086 1.815 ( 2.049 12.331 0.000) 12.500 1.871 ( -3.149 -2.778 0.000) 4.199 1.881 ( 0.903 10.100 0.000) 10.140 1.959 ( -3.586 6.079 0.000) 7.058 1.978 ( 3.249 -0.900 0.000) 3.371 2.014 ( -4.920 6.633 0.000) 8.258 2.135 ( 0.353 -3.874 0.000) 3.890 2.141 ( 2.586 1.460 0.000) 2.970 2.156 ( -3.248 0.990 0.000) 3.396 2.255 ( -0.600 -1.884 0.000) 1.977 2.286 ( 2.808 -1.042 0.000) 2.995 2.314 ( 3.734 0.895 0.000) 3.840 2.352 ( -3.393 -1.305 0.000) 3.635 2.373 ( -2.492 -4.865 0.000) 5.467 2.431 ( 0.864 -3.571 0.000) 3.674 2.515 ( 0.367 7.693 0.000) 7.702 2.548 ( -0.486 3.122 0.000) 3.160 2.709 ( 5.183 4.373 0.000) 6.781 2.802 ( 1.765 -2.218 0.000) 2.835 2.865 ( -3.195 -3.094 0.000) 4.448 3.273 ( 1.047 3.618 0.000) 3.766 3.402 ( -2.163 -0.265 0.000) 2.179 3.411 ( 1.517 -2.638 0.000) 3.043 3.582 ( -1.328 -0.059 0.000) 1.329 3.609 ( 0.855 -1.111 0.000) 1.402 3.668 ( -0.139 2.655 0.000) 2.659 3.695 ( 0.781 3.702 0.000) 3.784 3.730 ( -1.920 1.912 0.000) 2.709 3.809 ( 0.577 3.786 0.000) 3.829 3.841 ( 1.669 3.954 0.000) 4.292 3.847 ( -0.182 2.487 0.000) 2.493 3.872 ( 2.551 -1.445 0.000) 2.932 4.269 ( -0.453 -0.228 0.000) 0.507 4.310 ( 0.878 0.830 0.000) 1.208 4.332 ( 0.832 -1.881 0.000) 2.056 4.362 ( 3.129 -0.979 0.000) 3.279 4.402 ( 0.363 0.627 0.000) 0.725 4.425 ( 0.271 0.546 0.000) 0.610 4.442 ( -0.270 0.708 0.000) 0.757 4.447 ( 0.735 -0.078 0.000) 0.739 4.531 ( 0.315 -0.512 0.000) 0.601 4.582 ( 0.135 -1.840 0.000) 1.845 4.589 ( -0.300 -0.893 0.000) 0.942 4.836 ( -5.324 -6.770 0.000) 8.612 8.161 ( 1.489 0.759 0.000) 1.671 8.212 ( 0.896 -0.460 0.000) 1.007 8.280 ( -0.468 0.609 0.000) 0.768 8.324 ( -1.322 -0.267 0.000) 1.349 8.695 ( -0.003 0.997 0.000) 0.997 8.745 ( -0.389 1.194 0.000) 1.255 8.750 ( 1.743 -0.133 0.000) 1.748 8.803 ( 0.476 0.031 0.000) 0.477 10.504 ( 0.758 0.565 0.000) 0.946 10.543 ( 0.167 -0.252 0.000) 0.302 10.596 ( -0.854 0.791 0.000) 1.164 10.637 ( -1.322 0.039 0.000) 1.323 10.838 ( -0.013 1.749 0.000) 1.749 10.866 ( -0.830 1.239 0.000) 1.491 10.895 ( 0.591 0.646 0.000) 0.876 10.917 ( -0.033 0.165 0.000) 0.169 11.259 ( 0.155 0.785 0.000) 0.800 11.316 ( -0.848 0.303 0.000) 0.901 11.329 ( 0.721 -0.685 0.000) 0.994 11.345 ( 0.459 -0.312 0.000) 0.555 14.496 ( 0.908 1.630 0.000) 1.866 14.564 ( 0.009 0.292 0.000) 0.292 14.564 ( -0.043 0.341 0.000) 0.344 14.586 ( -0.343 -0.056 0.000) 0.348 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 11.119 12.847 0.000) 16.990 1.177 ( 13.919 12.000 0.000) 18.377 1.493 ( -7.641 0.805 0.000) 7.683 1.616 ( -1.575 2.214 0.000) 2.717 1.717 ( -9.380 6.857 0.000) 11.619 1.731 ( -8.538 0.285 0.000) 8.542 1.945 ( 2.174 14.367 0.000) 14.531 1.960 ( -1.312 7.425 0.000) 7.540 2.010 ( 5.230 10.504 0.000) 11.734 2.066 ( 5.042 0.869 0.000) 5.116 2.128 ( 3.127 0.743 0.000) 3.214 2.162 ( 2.295 -2.107 0.000) 3.116 2.169 ( -0.824 3.553 0.000) 3.647 2.237 ( -0.906 -3.239 0.000) 3.363 2.292 ( -2.148 -1.270 0.000) 2.496 2.321 ( -2.029 -3.323 0.000) 3.894 2.341 ( 3.215 -0.024 0.000) 3.215 2.385 ( 3.442 2.265 0.000) 4.120 2.445 ( 0.855 -3.346 0.000) 3.453 2.498 ( -1.675 9.510 0.000) 9.656 2.523 ( -1.949 2.527 0.000) 3.191 2.730 ( -9.147 4.868 0.000) 10.362 2.829 ( 6.328 -0.156 0.000) 6.330 2.877 ( 3.445 -3.305 0.000) 4.774 3.299 ( 1.681 0.661 0.000) 1.806 3.381 ( -1.122 -2.587 0.000) 2.820 3.448 ( 2.145 -1.934 0.000) 2.888 3.523 ( -2.926 -0.348 0.000) 2.947 3.635 ( 0.823 -0.237 0.000) 0.856 3.665 ( -0.370 1.366 0.000) 1.415 3.700 ( -0.050 4.057 0.000) 4.057 3.703 ( -0.816 3.845 0.000) 3.931 3.814 ( 0.222 2.489 0.000) 2.499 3.841 ( -0.518 3.081 0.000) 3.124 3.872 ( 1.366 1.838 0.000) 2.290 3.898 ( 0.166 -1.128 0.000) 1.140 4.275 ( 1.097 0.221 0.000) 1.119 4.321 ( -0.120 0.659 0.000) 0.670 4.349 ( 1.012 -1.154 0.000) 1.535 4.387 ( -0.412 -0.861 0.000) 0.955 4.410 ( 0.400 0.217 0.000) 0.455 4.428 ( -0.867 0.445 0.000) 0.975 4.473 ( 2.618 0.595 0.000) 2.684 4.483 ( 4.861 -1.561 0.000) 5.106 4.533 ( -0.285 0.392 0.000) 0.484 4.581 ( -0.236 -1.091 0.000) 1.116 4.585 ( 0.033 -0.590 0.000) 0.591 4.725 ( -6.170 -5.807 0.000) 8.473 8.197 ( 2.181 0.686 0.000) 2.286 8.232 ( 1.205 -0.132 0.000) 1.212 8.266 ( -1.160 0.563 0.000) 1.289 8.292 ( -1.886 0.061 0.000) 1.887 8.702 ( 0.727 1.413 0.000) 1.589 8.735 ( -0.709 1.422 0.000) 1.589 8.783 ( 1.586 -0.269 0.000) 1.609 8.809 ( 0.099 -0.070 0.000) 0.121 10.526 ( 1.488 0.606 0.000) 1.607 10.549 ( 0.505 0.139 0.000) 0.524 10.576 ( -1.142 0.797 0.000) 1.393 10.605 ( -2.016 0.221 0.000) 2.028 10.839 ( 0.085 1.760 0.000) 1.762 10.852 ( -0.644 1.515 0.000) 1.646 10.904 ( 0.402 0.435 0.000) 0.592 10.915 ( -0.176 0.226 0.000) 0.286 11.266 ( 0.566 0.899 0.000) 1.063 11.298 ( -1.001 0.595 0.000) 1.164 11.343 ( 0.726 -0.732 0.000) 1.031 11.352 ( 0.261 -0.529 0.000) 0.590 14.518 ( 1.305 1.274 0.000) 1.824 14.558 ( -0.587 0.554 0.000) 0.807 14.567 ( 0.216 0.252 0.000) 0.332 14.579 ( -0.406 0.110 0.000) 0.421 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -13.363 4.285 0.000) 14.034 1.285 ( 13.363 4.285 0.000) 14.034 1.449 ( -13.627 6.896 0.000) 15.273 1.449 ( 13.627 6.896 0.000) 15.273 1.643 ( -0.748 3.020 0.000) 3.111 1.643 ( 0.748 3.020 0.000) 3.111 1.952 ( -0.331 8.546 0.000) 8.553 1.952 ( 0.331 8.546 0.000) 8.553 2.083 ( -3.819 5.234 0.000) 6.479 2.083 ( 3.819 5.234 0.000) 6.479 2.164 ( -1.158 2.340 0.000) 2.610 2.164 ( 1.158 2.340 0.000) 2.610 2.214 ( -1.802 -2.701 0.000) 3.247 2.214 ( 1.802 -2.701 0.000) 3.247 2.287 ( -1.124 -4.896 0.000) 5.024 2.287 ( 1.124 -4.896 0.000) 5.024 2.428 ( -0.481 3.014 0.000) 3.052 2.428 ( 0.481 3.014 0.000) 3.052 2.470 ( -1.692 1.780 0.000) 2.455 2.470 ( 1.692 1.780 0.000) 2.455 2.536 ( -8.454 10.238 0.000) 13.277 2.536 ( 8.454 10.238 0.000) 13.277 2.907 ( -1.231 -2.618 0.000) 2.893 2.907 ( 1.231 -2.618 0.000) 2.893 3.340 ( -2.738 -2.356 0.000) 3.612 3.340 ( 2.738 -2.356 0.000) 3.612 3.483 ( -1.678 -0.913 0.000) 1.910 3.483 ( 1.678 -0.913 0.000) 1.910 3.651 ( -0.957 0.888 0.000) 1.306 3.651 ( 0.957 0.888 0.000) 1.306 3.698 ( -0.071 4.288 0.000) 4.289 3.698 ( 0.071 4.288 0.000) 4.289 3.826 ( -0.968 2.152 0.000) 2.359 3.826 ( 0.968 2.152 0.000) 2.359 3.891 ( -0.712 0.405 0.000) 0.819 3.891 ( 0.712 0.405 0.000) 0.819 4.303 ( -1.561 0.548 0.000) 1.654 4.303 ( 1.561 0.548 0.000) 1.654 4.370 ( -1.176 -0.640 0.000) 1.339 4.370 ( 1.176 -0.640 0.000) 1.339 4.417 ( -0.373 0.072 0.000) 0.380 4.417 ( 0.373 0.072 0.000) 0.380 4.514 ( -1.731 1.010 0.000) 2.004 4.514 ( 1.731 1.010 0.000) 2.004 4.570 ( -1.778 -1.108 0.000) 2.095 4.570 ( 1.778 -1.108 0.000) 2.095 4.613 ( -4.825 -3.808 0.000) 6.147 4.613 ( 4.825 -3.808 0.000) 6.147 8.236 ( -1.932 0.599 0.000) 2.023 8.236 ( 1.932 0.599 0.000) 2.023 8.258 ( -1.641 0.160 0.000) 1.649 8.258 ( 1.641 0.160 0.000) 1.649 8.719 ( -0.967 1.564 0.000) 1.839 8.719 ( 0.967 1.564 0.000) 1.839 8.804 ( -0.696 -0.218 0.000) 0.730 8.804 ( 0.696 -0.218 0.000) 0.730 10.554 ( -1.262 0.644 0.000) 1.417 10.554 ( 1.262 0.644 0.000) 1.417 10.567 ( -1.681 0.395 0.000) 1.726 10.567 ( 1.681 0.395 0.000) 1.726 10.843 ( -0.332 1.697 0.000) 1.729 10.843 ( 0.332 1.697 0.000) 1.729 10.910 ( -0.284 0.304 0.000) 0.416 10.910 ( 0.284 0.304 0.000) 0.416 11.280 ( -0.903 0.835 0.000) 1.230 11.280 ( 0.903 0.835 0.000) 1.230 11.353 ( -0.240 -0.684 0.000) 0.725 11.353 ( 0.240 -0.684 0.000) 0.725 14.542 ( -1.113 0.868 0.000) 1.412 14.542 ( 1.113 0.868 0.000) 1.412 14.572 ( -0.339 0.224 0.000) 0.406 14.572 ( 0.339 0.224 0.000) 0.406 ======================= Grid point 21 (13/60) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 0.000 19.311 0.000) 19.311 1.283 ( 0.000 17.762 0.000) 17.762 1.694 ( 0.000 -0.433 0.000) 0.433 1.724 ( 0.000 2.548 0.000) 2.548 1.815 ( 0.000 -9.066 0.000) 9.066 1.844 ( 0.000 -3.257 0.000) 3.257 2.013 ( 0.000 5.921 0.000) 5.921 2.035 ( 0.000 7.944 0.000) 7.944 2.051 ( 0.000 1.910 0.000) 1.910 2.102 ( 0.000 1.116 0.000) 1.116 2.121 ( 0.000 2.892 0.000) 2.892 2.152 ( 0.000 0.084 0.000) 0.084 2.191 ( 0.000 -3.605 0.000) 3.605 2.238 ( 0.000 -1.164 0.000) 1.164 2.299 ( 0.000 -5.512 0.000) 5.512 2.322 ( 0.000 4.424 0.000) 4.424 2.327 ( 0.000 -4.975 0.000) 4.975 2.370 ( 0.000 15.347 0.000) 15.347 2.389 ( 0.000 -0.237 0.000) 0.237 2.518 ( 0.000 -0.700 0.000) 0.700 2.570 ( 0.000 1.684 0.000) 1.684 2.759 ( 0.000 -0.907 0.000) 0.907 2.786 ( 0.000 -4.022 0.000) 4.022 2.844 ( 0.000 5.244 0.000) 5.244 3.324 ( 0.000 1.737 0.000) 1.737 3.361 ( 0.000 -1.163 0.000) 1.163 3.482 ( 0.000 1.314 0.000) 1.314 3.506 ( 0.000 0.039 0.000) 0.039 3.614 ( 0.000 -1.513 0.000) 1.513 3.717 ( 0.000 2.193 0.000) 2.193 3.742 ( 0.000 -0.626 0.000) 0.626 3.754 ( 0.000 0.111 0.000) 0.111 3.827 ( 0.000 2.002 0.000) 2.002 3.889 ( 0.000 4.015 0.000) 4.015 3.893 ( 0.000 1.681 0.000) 1.681 3.914 ( 0.000 3.209 0.000) 3.209 4.268 ( 0.000 -0.701 0.000) 0.701 4.279 ( 0.000 -1.825 0.000) 1.825 4.315 ( 0.000 -0.084 0.000) 0.084 4.320 ( 0.000 0.394 0.000) 0.394 4.426 ( 0.000 0.206 0.000) 0.206 4.442 ( 0.000 3.898 0.000) 3.898 4.443 ( 0.000 -0.209 0.000) 0.209 4.477 ( 0.000 2.478 0.000) 2.478 4.515 ( 0.000 -0.183 0.000) 0.183 4.537 ( 0.000 -2.201 0.000) 2.201 4.562 ( 0.000 -1.947 0.000) 1.947 4.727 ( 0.000 -9.212 0.000) 9.212 8.162 ( 0.000 0.898 0.000) 0.898 8.192 ( 0.000 -0.633 0.000) 0.633 8.298 ( 0.000 0.787 0.000) 0.787 8.327 ( 0.000 -0.639 0.000) 0.639 8.711 ( 0.000 0.675 0.000) 0.675 8.728 ( 0.000 -0.156 0.000) 0.156 8.770 ( 0.000 1.060 0.000) 1.060 8.796 ( 0.000 -0.236 0.000) 0.236 10.509 ( 0.000 0.658 0.000) 0.658 10.533 ( 0.000 -0.551 0.000) 0.551 10.620 ( 0.000 0.901 0.000) 0.901 10.646 ( 0.000 -0.370 0.000) 0.370 10.872 ( 0.000 1.725 0.000) 1.725 10.896 ( 0.000 0.682 0.000) 0.682 10.898 ( 0.000 0.601 0.000) 0.601 10.915 ( 0.000 -0.408 0.000) 0.408 11.273 ( 0.000 0.877 0.000) 0.877 11.307 ( 0.000 -0.838 0.000) 0.838 11.328 ( 0.000 0.154 0.000) 0.154 11.335 ( 0.000 -0.195 0.000) 0.195 14.522 ( 0.000 1.729 0.000) 1.729 14.562 ( 0.000 -0.334 0.000) 0.334 14.572 ( 0.000 0.432 0.000) 0.432 14.586 ( 0.000 -0.256 0.000) 0.256 ======================= Grid point 22 (14/60) ======================= q-point: ( 0.17 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -0.012 17.666 0.000) 17.666 1.287 ( 3.835 16.491 0.000) 16.931 1.625 ( -6.633 -0.488 0.000) 6.650 1.682 ( -1.527 -0.975 0.000) 1.812 1.821 ( -2.150 -2.033 0.000) 2.959 1.902 ( 5.209 -5.477 0.000) 7.558 1.978 ( -4.510 6.473 0.000) 7.889 2.024 ( -0.259 1.443 0.000) 1.466 2.089 ( 3.117 2.259 0.000) 3.849 2.114 ( 1.551 1.918 0.000) 2.467 2.125 ( 0.575 3.002 0.000) 3.056 2.142 ( -2.458 -0.529 0.000) 2.515 2.175 ( -1.207 -0.617 0.000) 1.356 2.252 ( 2.528 1.508 0.000) 2.944 2.264 ( -2.957 -5.784 0.000) 6.496 2.313 ( -0.921 -0.782 0.000) 1.208 2.345 ( 1.320 0.409 0.000) 1.382 2.376 ( -0.628 -2.062 0.000) 2.155 2.390 ( 3.081 14.040 0.000) 14.375 2.567 ( 1.849 -0.935 0.000) 2.072 2.594 ( 3.136 4.348 0.000) 5.361 2.776 ( 1.799 -0.598 0.000) 1.896 2.810 ( 2.013 -2.528 0.000) 3.232 2.848 ( 0.718 5.225 0.000) 5.274 3.322 ( -0.113 1.742 0.000) 1.745 3.375 ( 1.383 -1.376 0.000) 1.951 3.401 ( -4.102 0.998 0.000) 4.221 3.527 ( -2.108 -4.429 0.000) 4.905 3.616 ( 1.543 2.023 0.000) 2.545 3.710 ( -0.944 2.008 0.000) 2.219 3.746 ( -0.527 0.281 0.000) 0.597 3.772 ( 1.705 0.658 0.000) 1.827 3.832 ( 0.460 0.340 0.000) 0.572 3.879 ( -1.099 3.498 0.000) 3.667 3.898 ( 0.616 1.559 0.000) 1.677 3.916 ( 0.196 2.593 0.000) 2.600 4.264 ( 0.222 -0.169 0.000) 0.279 4.295 ( 1.230 -1.856 0.000) 2.226 4.323 ( 0.971 0.645 0.000) 1.165 4.347 ( 2.028 -0.581 0.000) 2.110 4.428 ( 0.406 0.359 0.000) 0.542 4.439 ( -0.290 3.200 0.000) 3.213 4.443 ( -0.105 -0.142 0.000) 0.176 4.480 ( 0.501 2.272 0.000) 2.327 4.511 ( -0.104 -1.148 0.000) 1.152 4.550 ( 0.937 -1.158 0.000) 1.489 4.562 ( -0.010 -1.847 0.000) 1.847 4.700 ( -2.664 -7.360 0.000) 7.827 8.176 ( 1.404 0.837 0.000) 1.634 8.203 ( 1.059 -0.548 0.000) 1.192 8.293 ( -0.560 0.712 0.000) 0.906 8.317 ( -1.006 -0.470 0.000) 1.111 8.715 ( 0.506 1.048 0.000) 1.164 8.744 ( 1.448 -0.441 0.000) 1.514 8.769 ( -0.154 1.212 0.000) 1.222 8.800 ( 0.307 -0.380 0.000) 0.489 10.516 ( 0.786 0.654 0.000) 1.023 10.537 ( 0.477 -0.404 0.000) 0.625 10.612 ( -0.846 0.884 0.000) 1.224 10.635 ( -1.135 -0.255 0.000) 1.163 10.872 ( 0.004 1.734 0.000) 1.734 10.888 ( -0.481 1.047 0.000) 1.152 10.904 ( 0.292 0.258 0.000) 0.390 10.915 ( -0.006 -0.406 0.000) 0.406 11.276 ( 0.319 0.984 0.000) 1.035 11.314 ( 0.627 -0.913 0.000) 1.107 11.323 ( -0.513 0.397 0.000) 0.648 11.338 ( 0.197 -0.398 0.000) 0.444 14.528 ( 0.616 1.574 0.000) 1.690 14.564 ( 0.163 -0.263 0.000) 0.309 14.572 ( -0.069 0.434 0.000) 0.439 14.584 ( -0.193 -0.179 0.000) 0.263 ======================= Grid point 23 (15/60) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 3.401 14.228 0.000) 14.629 1.390 ( 6.549 9.465 0.000) 11.509 1.514 ( -4.996 0.999 0.000) 5.095 1.632 ( -3.747 -1.248 0.000) 3.950 1.759 ( -3.194 3.345 0.000) 4.625 1.859 ( -7.209 7.819 0.000) 10.635 2.010 ( 5.903 -5.303 0.000) 7.935 2.036 ( 0.707 -1.242 0.000) 1.429 2.063 ( -3.246 1.912 0.000) 3.767 2.100 ( -1.508 0.162 0.000) 1.516 2.145 ( 2.513 1.574 0.000) 2.966 2.162 ( 0.854 -2.027 0.000) 2.199 2.190 ( 1.925 1.210 0.000) 2.274 2.211 ( -2.364 -6.185 0.000) 6.622 2.249 ( -2.552 2.264 0.000) 3.412 2.294 ( -2.367 1.540 0.000) 2.824 2.384 ( 4.281 -2.102 0.000) 4.769 2.414 ( 3.797 -0.270 0.000) 3.806 2.472 ( 3.873 8.489 0.000) 9.331 2.551 ( -2.710 0.564 0.000) 2.768 2.660 ( 3.488 9.064 0.000) 9.712 2.809 ( -0.256 2.967 0.000) 2.978 2.846 ( 2.629 -0.057 0.000) 2.630 2.878 ( 2.104 3.316 0.000) 3.927 3.322 ( 0.020 1.821 0.000) 1.821 3.346 ( -1.927 -0.151 0.000) 1.933 3.409 ( 2.075 -2.264 0.000) 3.071 3.479 ( -2.161 -4.165 0.000) 4.693 3.642 ( 1.129 1.757 0.000) 2.089 3.687 ( -1.171 1.310 0.000) 1.758 3.740 ( -0.133 -0.303 0.000) 0.331 3.780 ( -0.845 0.915 0.000) 1.245 3.835 ( -0.241 0.002 0.000) 0.241 3.853 ( -1.403 3.104 0.000) 3.407 3.913 ( 0.720 1.026 0.000) 1.253 3.920 ( 0.191 1.477 0.000) 1.489 4.282 ( 1.647 0.562 0.000) 1.740 4.322 ( 1.651 -1.543 0.000) 2.259 4.335 ( -0.154 0.802 0.000) 0.817 4.370 ( 0.080 -0.859 0.000) 0.863 4.433 ( -0.450 0.542 0.000) 0.704 4.433 ( -0.289 2.220 0.000) 2.238 4.459 ( 2.508 -0.518 0.000) 2.561 4.504 ( 2.128 1.486 0.000) 2.595 4.512 ( -0.032 -1.844 0.000) 1.845 4.563 ( 0.361 -0.646 0.000) 0.740 4.563 ( 0.168 -1.588 0.000) 1.597 4.637 ( -3.834 -3.845 0.000) 5.430 8.210 ( 2.062 0.693 0.000) 2.175 8.228 ( 1.580 -0.257 0.000) 1.601 8.277 ( -1.210 0.587 0.000) 1.345 8.292 ( -1.597 -0.143 0.000) 1.603 8.730 ( 1.043 1.489 0.000) 1.818 8.763 ( -0.476 1.461 0.000) 1.537 8.774 ( 1.501 -0.702 0.000) 1.657 8.804 ( -0.051 -0.571 0.000) 0.574 10.538 ( 1.447 0.596 0.000) 1.565 10.550 ( 0.929 -0.040 0.000) 0.929 10.591 ( -1.265 0.780 0.000) 1.486 10.607 ( -1.767 -0.005 0.000) 1.767 10.873 ( 0.053 1.719 0.000) 1.720 10.880 ( -0.374 1.390 0.000) 1.439 10.908 ( 0.192 -0.036 0.000) 0.195 10.914 ( -0.095 -0.354 0.000) 0.367 11.285 ( 0.618 1.119 0.000) 1.279 11.311 ( -0.673 0.776 0.000) 1.027 11.327 ( 0.710 -0.998 0.000) 1.225 11.341 ( 0.015 -0.706 0.000) 0.706 14.542 ( 0.877 1.201 0.000) 1.487 14.568 ( 0.151 0.014 0.000) 0.152 14.568 ( -0.236 0.393 0.000) 0.458 14.580 ( -0.276 -0.049 0.000) 0.280 ======================= Grid point 24 (16/60) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -5.289 6.817 0.000) 8.628 1.395 ( 5.289 6.817 0.000) 8.628 1.540 ( -6.164 1.744 0.000) 6.406 1.540 ( 6.164 1.744 0.000) 6.406 1.750 ( -3.100 8.261 0.000) 8.823 1.750 ( 3.100 8.261 0.000) 8.823 2.032 ( -0.042 0.263 0.000) 0.267 2.032 ( 0.042 0.263 0.000) 0.267 2.096 ( -1.939 -4.293 0.000) 4.710 2.096 ( 1.939 -4.293 0.000) 4.710 2.155 ( -0.124 -2.785 0.000) 2.788 2.155 ( 0.124 -2.785 0.000) 2.788 2.204 ( -1.817 2.079 0.000) 2.761 2.204 ( 1.817 2.079 0.000) 2.761 2.238 ( -3.016 -0.069 0.000) 3.017 2.238 ( 3.016 -0.069 0.000) 3.017 2.472 ( -4.005 1.000 0.000) 4.128 2.472 ( 4.005 1.000 0.000) 4.128 2.485 ( -3.437 0.643 0.000) 3.496 2.485 ( 3.437 0.643 0.000) 3.496 2.748 ( -5.178 10.145 0.000) 11.390 2.748 ( 5.178 10.145 0.000) 11.390 2.893 ( -1.160 0.681 0.000) 1.345 2.893 ( 1.160 0.681 0.000) 1.345 3.324 ( -0.460 1.023 0.000) 1.122 3.324 ( 0.460 1.023 0.000) 1.122 3.446 ( -1.739 -3.079 0.000) 3.536 3.446 ( 1.739 -3.079 0.000) 3.536 3.665 ( -1.332 1.026 0.000) 1.681 3.665 ( 1.332 1.026 0.000) 1.681 3.751 ( -1.556 -1.079 0.000) 1.894 3.751 ( 1.556 -1.079 0.000) 1.894 3.835 ( -0.445 2.506 0.000) 2.546 3.835 ( 0.445 2.506 0.000) 2.546 3.921 ( -0.158 0.883 0.000) 0.897 3.921 ( 0.158 0.883 0.000) 0.897 4.316 ( -1.653 0.801 0.000) 1.837 4.316 ( 1.653 0.801 0.000) 1.837 4.354 ( -1.555 -1.045 0.000) 1.874 4.354 ( 1.555 -1.045 0.000) 1.874 4.429 ( -0.083 1.540 0.000) 1.542 4.429 ( 0.083 1.540 0.000) 1.542 4.501 ( -1.414 -1.830 0.000) 2.313 4.501 ( 1.414 -1.830 0.000) 2.313 4.557 ( -2.392 -0.176 0.000) 2.399 4.557 ( 2.392 -0.176 0.000) 2.399 4.570 ( -1.529 -1.376 0.000) 2.057 4.570 ( 1.529 -1.376 0.000) 2.057 8.248 ( -1.858 0.572 0.000) 1.944 8.248 ( 1.858 0.572 0.000) 1.944 8.260 ( -1.734 -0.026 0.000) 1.735 8.260 ( 1.734 -0.026 0.000) 1.735 8.750 ( -0.939 1.617 0.000) 1.870 8.750 ( 0.939 1.617 0.000) 1.870 8.796 ( -0.804 -0.714 0.000) 1.075 8.796 ( 0.804 -0.714 0.000) 1.075 10.566 ( -1.434 0.565 0.000) 1.541 10.566 ( 1.434 0.565 0.000) 1.541 10.574 ( -1.643 0.210 0.000) 1.656 10.574 ( 1.643 0.210 0.000) 1.656 10.875 ( -0.188 1.617 0.000) 1.628 10.875 ( 0.188 1.617 0.000) 1.628 10.912 ( -0.155 -0.234 0.000) 0.281 10.912 ( 0.155 -0.234 0.000) 0.281 11.298 ( -0.724 1.057 0.000) 1.281 11.298 ( 0.724 1.057 0.000) 1.281 11.337 ( -0.371 -0.935 0.000) 1.006 11.337 ( 0.371 -0.935 0.000) 1.006 14.558 ( -0.730 0.800 0.000) 1.083 14.558 ( 0.730 0.800 0.000) 1.083 14.574 ( -0.314 -0.023 0.000) 0.315 14.574 ( 0.314 -0.023 0.000) 0.315 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 0.000 -11.817 0.000) 11.817 1.566 ( 0.000 11.817 0.000) 11.817 1.579 ( 0.000 -15.290 0.000) 15.290 1.579 ( 0.000 15.290 0.000) 15.290 1.783 ( 0.000 -3.466 0.000) 3.466 1.783 ( 0.000 3.466 0.000) 3.466 2.069 ( 0.000 -0.779 0.000) 0.779 2.069 ( 0.000 0.779 0.000) 0.779 2.130 ( 0.000 -1.937 0.000) 1.937 2.130 ( 0.000 1.937 0.000) 1.937 2.135 ( 0.000 -1.750 0.000) 1.750 2.135 ( 0.000 1.750 0.000) 1.750 2.196 ( 0.000 -5.323 0.000) 5.323 2.196 ( 0.000 5.323 0.000) 5.323 2.247 ( 0.000 -2.583 0.000) 2.583 2.247 ( 0.000 2.583 0.000) 2.583 2.378 ( 0.000 -1.433 0.000) 1.433 2.378 ( 0.000 1.433 0.000) 1.433 2.504 ( 0.000 -0.784 0.000) 0.784 2.504 ( 0.000 0.784 0.000) 0.784 2.750 ( 0.000 -0.178 0.000) 0.178 2.750 ( 0.000 0.178 0.000) 0.178 2.761 ( 0.000 -12.978 0.000) 12.978 2.761 ( 0.000 12.978 0.000) 12.978 3.344 ( 0.000 -0.771 0.000) 0.771 3.344 ( 0.000 0.771 0.000) 0.771 3.507 ( 0.000 -0.889 0.000) 0.889 3.507 ( 0.000 0.889 0.000) 0.889 3.655 ( 0.000 -5.684 0.000) 5.684 3.655 ( 0.000 5.684 0.000) 5.684 3.749 ( 0.000 -0.990 0.000) 0.990 3.749 ( 0.000 0.990 0.000) 0.990 3.888 ( 0.000 -2.317 0.000) 2.317 3.888 ( 0.000 2.317 0.000) 2.317 3.936 ( 0.000 -0.814 0.000) 0.814 3.936 ( 0.000 0.814 0.000) 0.814 4.260 ( 0.000 -0.157 0.000) 0.157 4.260 ( 0.000 0.157 0.000) 0.157 4.319 ( 0.000 -0.322 0.000) 0.322 4.319 ( 0.000 0.322 0.000) 0.322 4.435 ( 0.000 -0.579 0.000) 0.579 4.435 ( 0.000 0.579 0.000) 0.579 4.504 ( 0.000 -1.430 0.000) 1.430 4.504 ( 0.000 1.430 0.000) 1.430 4.523 ( 0.000 -2.274 0.000) 2.274 4.523 ( 0.000 2.274 0.000) 2.274 4.568 ( 0.000 -6.983 0.000) 6.983 4.568 ( 0.000 6.983 0.000) 6.983 8.179 ( 0.000 -0.821 0.000) 0.821 8.179 ( 0.000 0.821 0.000) 0.821 8.313 ( 0.000 -0.775 0.000) 0.775 8.313 ( 0.000 0.775 0.000) 0.775 8.722 ( 0.000 -0.453 0.000) 0.453 8.722 ( 0.000 0.453 0.000) 0.453 8.787 ( 0.000 -0.726 0.000) 0.726 8.787 ( 0.000 0.726 0.000) 0.726 10.521 ( 0.000 -0.649 0.000) 0.649 10.521 ( 0.000 0.649 0.000) 0.649 10.636 ( 0.000 -0.732 0.000) 0.732 10.636 ( 0.000 0.732 0.000) 0.732 10.900 ( 0.000 -1.167 0.000) 1.167 10.900 ( 0.000 1.167 0.000) 1.167 10.903 ( 0.000 -0.033 0.000) 0.033 10.903 ( 0.000 0.033 0.000) 0.033 11.290 ( 0.000 -0.922 0.000) 0.922 11.290 ( 0.000 0.922 0.000) 0.922 11.332 ( 0.000 -0.186 0.000) 0.186 11.332 ( 0.000 0.186 0.000) 0.186 14.549 ( 0.000 -1.119 0.000) 1.119 14.549 ( 0.000 1.119 0.000) 1.119 14.580 ( 0.000 -0.374 0.000) 0.374 14.580 ( 0.000 0.374 0.000) 0.374 ======================= Grid point 30 (18/60) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -2.835 -9.520 0.000) 9.933 1.542 ( -2.835 9.520 0.000) 9.933 1.557 ( -0.848 -11.552 0.000) 11.583 1.557 ( -0.848 11.552 0.000) 11.583 1.816 ( 2.772 -2.216 0.000) 3.549 1.816 ( 2.772 2.216 0.000) 3.549 2.048 ( -2.357 -0.976 0.000) 2.551 2.048 ( -2.357 0.976 0.000) 2.551 2.129 ( -0.613 -1.042 0.000) 1.209 2.129 ( -0.613 1.042 0.000) 1.209 2.132 ( -0.357 -3.181 0.000) 3.201 2.132 ( -0.357 3.181 0.000) 3.201 2.170 ( -1.255 -2.844 0.000) 3.109 2.170 ( -1.255 2.844 0.000) 3.109 2.288 ( 3.673 -1.974 0.000) 4.170 2.288 ( 3.673 1.974 0.000) 4.170 2.354 ( -2.073 -0.682 0.000) 2.182 2.354 ( -2.073 0.682 0.000) 2.182 2.534 ( 2.093 -2.494 0.000) 3.256 2.534 ( 2.093 2.494 0.000) 3.256 2.778 ( 2.897 -0.846 0.000) 3.018 2.778 ( 2.897 0.846 0.000) 3.018 2.787 ( 2.659 -11.144 0.000) 11.457 2.787 ( 2.659 11.144 0.000) 11.457 3.350 ( 0.557 -1.397 0.000) 1.504 3.350 ( 0.557 1.397 0.000) 1.504 3.449 ( -4.211 -3.668 0.000) 5.585 3.449 ( -4.211 3.668 0.000) 5.585 3.692 ( 2.119 -5.628 0.000) 6.014 3.692 ( 2.119 5.628 0.000) 6.014 3.740 ( -0.906 -0.992 0.000) 1.343 3.740 ( -0.906 0.992 0.000) 1.343 3.890 ( 0.210 -2.514 0.000) 2.523 3.890 ( 0.210 2.514 0.000) 2.523 3.927 ( -0.878 -1.296 0.000) 1.565 3.927 ( -0.878 1.296 0.000) 1.565 4.269 ( 0.981 -0.818 0.000) 1.277 4.269 ( 0.981 0.818 0.000) 1.277 4.336 ( 1.433 -0.657 0.000) 1.577 4.336 ( 1.433 0.657 0.000) 1.577 4.437 ( 0.248 -0.508 0.000) 0.565 4.437 ( 0.248 0.508 0.000) 0.565 4.492 ( -0.916 -1.364 0.000) 1.643 4.492 ( -0.916 1.364 0.000) 1.643 4.523 ( 0.139 -2.212 0.000) 2.216 4.523 ( 0.139 2.212 0.000) 2.216 4.576 ( 0.456 -4.920 0.000) 4.941 4.576 ( 0.456 4.920 0.000) 4.941 8.191 ( 1.254 -0.728 0.000) 1.450 8.191 ( 1.254 0.728 0.000) 1.450 8.306 ( -0.736 -0.649 0.000) 0.981 8.306 ( -0.736 0.649 0.000) 0.981 8.733 ( 1.019 -0.810 0.000) 1.301 8.733 ( 1.019 0.810 0.000) 1.301 8.789 ( 0.084 -0.869 0.000) 0.873 8.789 ( 0.084 0.869 0.000) 0.873 10.528 ( 0.701 -0.571 0.000) 0.904 10.528 ( 0.701 0.571 0.000) 0.904 10.627 ( -0.947 -0.652 0.000) 1.150 10.627 ( -0.947 0.652 0.000) 1.150 10.900 ( 0.005 -1.170 0.000) 1.170 10.900 ( 0.005 1.170 0.000) 1.170 10.903 ( -0.083 -0.430 0.000) 0.438 10.903 ( -0.083 0.430 0.000) 0.438 11.295 ( 0.488 -1.021 0.000) 1.132 11.295 ( 0.488 1.021 0.000) 1.132 11.330 ( -0.139 -0.428 0.000) 0.450 11.330 ( -0.139 0.428 0.000) 0.450 14.552 ( 0.347 -0.994 0.000) 1.053 14.552 ( 0.347 0.994 0.000) 1.053 14.579 ( -0.090 -0.332 0.000) 0.344 14.579 ( -0.090 0.332 0.000) 0.344 ======================= Grid point 32 (19/60) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -0.840 -2.793 0.000) 2.917 1.505 ( -0.840 2.793 0.000) 2.917 1.536 ( -1.361 -9.235 0.000) 9.335 1.536 ( -1.361 9.235 0.000) 9.335 1.869 ( 2.767 -7.867 0.000) 8.340 1.869 ( 2.767 7.867 0.000) 8.340 1.986 ( -3.809 -4.602 0.000) 5.974 1.986 ( -3.809 4.602 0.000) 5.974 2.107 ( -1.308 -2.606 0.000) 2.916 2.107 ( -1.308 2.606 0.000) 2.916 2.111 ( -1.220 -3.017 0.000) 3.255 2.111 ( -1.220 3.017 0.000) 3.255 2.186 ( 2.108 -1.285 0.000) 2.469 2.186 ( 2.108 1.285 0.000) 2.469 2.292 ( -2.948 -1.920 0.000) 3.518 2.292 ( -2.948 1.920 0.000) 3.518 2.387 ( 5.167 -1.949 0.000) 5.523 2.387 ( 5.167 1.949 0.000) 5.523 2.545 ( -1.422 -1.226 0.000) 1.878 2.545 ( -1.422 1.226 0.000) 1.878 2.843 ( 3.406 -0.905 0.000) 3.525 2.843 ( 3.406 0.905 0.000) 3.525 2.847 ( 3.087 -7.427 0.000) 8.043 2.847 ( 3.087 7.427 0.000) 8.043 3.363 ( 0.809 -2.465 0.000) 2.595 3.363 ( 0.809 2.465 0.000) 2.595 3.391 ( -1.705 -4.395 0.000) 4.714 3.391 ( -1.705 4.395 0.000) 4.714 3.707 ( -0.324 -4.844 0.000) 4.855 3.707 ( -0.324 4.844 0.000) 4.855 3.717 ( -1.433 -1.657 0.000) 2.191 3.717 ( -1.433 1.657 0.000) 2.191 3.895 ( 0.270 -2.912 0.000) 2.924 3.895 ( 0.270 2.912 0.000) 2.924 3.910 ( -0.751 -2.288 0.000) 2.408 3.910 ( -0.751 2.288 0.000) 2.408 4.297 ( 1.922 -1.050 0.000) 2.190 4.297 ( 1.922 1.050 0.000) 2.190 4.352 ( -0.071 -1.048 0.000) 1.051 4.352 ( -0.071 1.048 0.000) 1.051 4.448 ( 0.983 -0.788 0.000) 1.260 4.448 ( 0.983 0.788 0.000) 1.260 4.478 ( -0.572 -2.016 0.000) 2.096 4.478 ( -0.572 2.016 0.000) 2.096 4.532 ( 0.876 -1.605 0.000) 1.829 4.532 ( 0.876 1.605 0.000) 1.829 4.575 ( -0.640 -2.319 0.000) 2.406 4.575 ( -0.640 2.319 0.000) 2.406 8.221 ( 1.866 -0.501 0.000) 1.932 8.221 ( 1.866 0.501 0.000) 1.932 8.286 ( -1.354 -0.414 0.000) 1.415 8.286 ( -1.354 0.414 0.000) 1.415 8.756 ( 1.316 -1.186 0.000) 1.771 8.756 ( 1.316 1.186 0.000) 1.771 8.788 ( -0.248 -1.103 0.000) 1.131 8.788 ( -0.248 1.103 0.000) 1.131 10.547 ( 1.268 -0.350 0.000) 1.316 10.547 ( 1.268 0.350 0.000) 1.316 10.603 ( -1.490 -0.438 0.000) 1.553 10.603 ( -1.490 0.438 0.000) 1.553 10.900 ( -0.011 -1.133 0.000) 1.133 10.900 ( -0.011 1.133 0.000) 1.133 10.901 ( -0.079 -0.775 0.000) 0.779 10.901 ( -0.079 0.775 0.000) 0.779 11.307 ( 0.673 -1.142 0.000) 1.325 11.307 ( 0.673 1.142 0.000) 1.325 11.326 ( -0.311 -0.802 0.000) 0.860 11.326 ( -0.311 0.802 0.000) 0.860 14.561 ( 0.507 -0.710 0.000) 0.872 14.561 ( 0.507 0.710 0.000) 0.872 14.576 ( -0.250 -0.308 0.000) 0.397 14.576 ( -0.250 0.308 0.000) 0.397 ======================= Grid point 34 (20/60) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -1.174 -4.526 0.000) 4.676 1.510 ( 1.174 -4.526 0.000) 4.676 1.510 ( -1.174 4.526 0.000) 4.676 1.510 ( 1.174 4.526 0.000) 4.676 1.921 ( -2.982 -9.052 0.000) 9.531 1.921 ( 2.982 -9.052 0.000) 9.531 1.921 ( -2.982 9.052 0.000) 9.531 1.921 ( 2.982 9.052 0.000) 9.531 2.096 ( -0.139 -2.674 0.000) 2.677 2.096 ( 0.139 -2.674 0.000) 2.677 2.096 ( -0.139 2.674 0.000) 2.677 2.096 ( 0.139 2.674 0.000) 2.677 2.235 ( -2.936 -0.810 0.000) 3.046 2.235 ( -2.936 0.810 0.000) 3.046 2.235 ( 2.936 -0.810 0.000) 3.046 2.235 ( 2.936 0.810 0.000) 3.046 2.484 ( -4.655 -0.568 0.000) 4.690 2.484 ( -4.655 0.568 0.000) 4.690 2.484 ( 4.655 -0.568 0.000) 4.690 2.484 ( 4.655 0.568 0.000) 4.690 2.879 ( -0.045 -3.410 0.000) 3.410 2.879 ( 0.045 -3.410 0.000) 3.410 2.879 ( -0.045 3.410 0.000) 3.410 2.879 ( 0.045 3.410 0.000) 3.410 3.376 ( -0.448 -3.904 0.000) 3.930 3.376 ( 0.448 -3.904 0.000) 3.930 3.376 ( -0.448 3.904 0.000) 3.930 3.376 ( 0.448 3.904 0.000) 3.930 3.700 ( -0.090 -2.748 0.000) 2.749 3.700 ( 0.090 -2.748 0.000) 2.749 3.700 ( -0.090 2.748 0.000) 2.749 3.700 ( 0.090 2.748 0.000) 2.749 3.900 ( -0.372 -2.915 0.000) 2.938 3.900 ( 0.372 -2.915 0.000) 2.938 3.900 ( -0.372 2.915 0.000) 2.938 3.900 ( 0.372 2.915 0.000) 2.938 4.333 ( -1.721 -1.054 0.000) 2.019 4.333 ( 1.721 -1.054 0.000) 2.019 4.333 ( -1.721 1.054 0.000) 2.019 4.333 ( 1.721 1.054 0.000) 2.019 4.466 ( -0.762 -1.986 0.000) 2.127 4.466 ( 0.762 -1.986 0.000) 2.127 4.466 ( -0.762 1.986 0.000) 2.127 4.466 ( 0.762 1.986 0.000) 2.127 4.555 ( -1.380 -0.255 0.000) 1.404 4.555 ( -1.380 0.255 0.000) 1.404 4.555 ( 1.380 -0.255 0.000) 1.404 4.555 ( 1.380 0.255 0.000) 1.404 8.257 ( -1.798 -0.334 0.000) 1.828 8.257 ( -1.798 0.334 0.000) 1.828 8.257 ( 1.798 -0.334 0.000) 1.828 8.257 ( 1.798 0.334 0.000) 1.828 8.777 ( -0.884 -1.260 0.000) 1.539 8.777 ( 0.884 -1.260 0.000) 1.539 8.777 ( -0.884 1.260 0.000) 1.539 8.777 ( 0.884 1.260 0.000) 1.539 10.574 ( -1.569 -0.200 0.000) 1.582 10.574 ( -1.569 0.200 0.000) 1.582 10.574 ( 1.569 -0.200 0.000) 1.582 10.574 ( 1.569 0.200 0.000) 1.582 10.900 ( -0.015 -1.007 0.000) 1.008 10.900 ( 0.015 -1.007 0.000) 1.008 10.900 ( -0.015 1.007 0.000) 1.008 10.900 ( 0.015 1.007 0.000) 1.008 11.318 ( -0.540 -1.078 0.000) 1.205 11.318 ( 0.540 -1.078 0.000) 1.205 11.318 ( -0.540 1.078 0.000) 1.205 11.318 ( 0.540 1.078 0.000) 1.205 14.570 ( -0.437 -0.442 0.000) 0.622 14.570 ( 0.437 -0.442 0.000) 0.622 14.570 ( -0.437 0.442 0.000) 0.622 14.570 ( 0.437 0.442 0.000) 0.622 ======================= Grid point 63 (21/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 0.000 0.000 21.684) 21.684 0.545 ( 0.000 0.000 24.000) 24.000 0.901 ( 0.000 0.000 39.299) 39.299 1.357 ( 0.000 0.000 -17.183) 17.183 1.427 ( 0.000 0.000 -13.779) 13.779 1.850 ( 0.000 0.000 8.219) 8.219 1.928 ( 0.000 0.000 3.060) 3.060 1.975 ( 0.000 0.000 0.804) 0.804 1.986 ( 0.000 0.000 3.138) 3.138 2.015 ( 0.000 0.000 9.484) 9.484 2.121 ( 0.000 0.000 -4.395) 4.395 2.174 ( 0.000 0.000 1.094) 1.094 2.203 ( 0.000 0.000 -10.589) 10.589 2.239 ( 0.000 0.000 -0.991) 0.991 2.256 ( 0.000 0.000 1.696) 1.696 2.294 ( 0.000 0.000 -4.394) 4.394 2.334 ( 0.000 0.000 -1.966) 1.966 2.346 ( 0.000 0.000 -0.303) 0.303 2.349 ( 0.000 0.000 -3.122) 3.122 2.462 ( 0.000 0.000 -11.055) 11.055 2.484 ( 0.000 0.000 0.443) 0.443 2.525 ( 0.000 0.000 -4.670) 4.670 2.841 ( 0.000 0.000 3.938) 3.938 3.049 ( 0.000 0.000 -2.959) 2.959 3.105 ( 0.000 0.000 2.627) 2.627 3.265 ( 0.000 0.000 -3.085) 3.085 3.533 ( 0.000 0.000 0.500) 0.500 3.534 ( 0.000 0.000 0.114) 0.114 3.571 ( 0.000 0.000 0.332) 0.332 3.640 ( 0.000 0.000 -1.345) 1.345 3.649 ( 0.000 0.000 2.129) 2.129 3.669 ( 0.000 0.000 -1.149) 1.149 3.685 ( 0.000 0.000 3.230) 3.230 3.748 ( 0.000 0.000 1.810) 1.810 3.786 ( 0.000 0.000 -0.721) 0.721 3.824 ( 0.000 0.000 -2.184) 2.184 4.299 ( 0.000 0.000 1.607) 1.607 4.308 ( 0.000 0.000 2.282) 2.282 4.341 ( 0.000 0.000 1.868) 1.868 4.390 ( 0.000 0.000 -1.631) 1.631 4.399 ( 0.000 0.000 0.805) 0.805 4.438 ( 0.000 0.000 -0.300) 0.300 4.462 ( 0.000 0.000 1.992) 1.992 4.485 ( 0.000 0.000 -0.329) 0.329 4.570 ( 0.000 0.000 -1.902) 1.902 4.587 ( 0.000 0.000 -3.110) 3.110 4.646 ( 0.000 0.000 7.061) 7.061 4.955 ( 0.000 0.000 -4.564) 4.564 8.159 ( 0.000 0.000 2.553) 2.553 8.218 ( 0.000 0.000 0.635) 0.635 8.267 ( 0.000 0.000 -0.510) 0.510 8.316 ( 0.000 0.000 -2.436) 2.436 8.686 ( 0.000 0.000 0.194) 0.194 8.706 ( 0.000 0.000 -0.750) 0.750 8.748 ( 0.000 0.000 1.063) 1.063 8.785 ( 0.000 0.000 -0.490) 0.490 10.509 ( 0.000 0.000 -0.240) 0.240 10.528 ( 0.000 0.000 -1.228) 1.228 10.615 ( 0.000 0.000 1.481) 1.481 10.649 ( 0.000 0.000 -0.083) 0.083 10.808 ( 0.000 0.000 0.684) 0.684 10.848 ( 0.000 0.000 -0.721) 0.721 10.869 ( 0.000 0.000 0.609) 0.609 10.902 ( 0.000 0.000 -0.585) 0.585 11.258 ( 0.000 0.000 0.989) 0.989 11.317 ( 0.000 0.000 -1.219) 1.219 11.328 ( 0.000 0.000 0.369) 0.369 11.344 ( 0.000 0.000 -0.096) 0.096 14.464 ( 0.000 0.000 1.354) 1.354 14.539 ( 0.000 0.000 -1.347) 1.347 14.566 ( 0.000 0.000 0.362) 0.362 14.587 ( 0.000 0.000 -0.398) 0.398 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 10.650 0.000 17.051) 20.104 0.655 ( 15.560 0.000 15.071) 21.662 1.139 ( 19.046 0.000 28.174) 34.008 1.392 ( 3.479 0.000 -15.688) 16.069 1.401 ( -0.906 0.000 -10.837) 10.875 1.811 ( -3.762 0.000 7.669) 8.542 1.853 ( -6.862 0.000 4.227) 8.060 1.881 ( -9.691 0.000 2.834) 10.097 1.974 ( -0.689 0.000 0.484) 0.842 2.024 ( -1.825 0.000 4.535) 4.888 2.074 ( -2.527 0.000 -1.265) 2.826 2.128 ( -2.327 0.000 -3.854) 4.502 2.207 ( -2.147 0.000 1.013) 2.374 2.228 ( 0.258 0.000 -3.427) 3.437 2.282 ( 1.619 0.000 0.018) 1.619 2.307 ( 0.445 0.000 -2.502) 2.541 2.349 ( 1.108 0.000 -2.119) 2.391 2.361 ( 0.669 0.000 -0.688) 0.959 2.385 ( 1.923 0.000 -0.771) 2.071 2.474 ( -0.750 0.000 -2.402) 2.516 2.497 ( 2.823 0.000 -3.626) 4.596 2.544 ( 4.655 0.000 -13.993) 14.747 2.895 ( 3.778 0.000 2.572) 4.570 2.957 ( -8.757 0.000 0.594) 8.778 3.165 ( 5.891 0.000 2.251) 6.306 3.296 ( 3.113 0.000 -2.343) 3.896 3.529 ( -0.301 0.000 0.224) 0.375 3.537 ( 0.061 0.000 0.283) 0.289 3.577 ( 0.584 0.000 0.381) 0.698 3.600 ( -0.456 0.000 0.651) 0.795 3.645 ( 0.464 0.000 -1.155) 1.245 3.681 ( -2.934 0.000 -1.469) 3.281 3.682 ( -0.382 0.000 2.634) 2.662 3.798 ( 5.475 0.000 0.555) 5.503 3.807 ( -1.789 0.000 -2.032) 2.708 3.900 ( 6.142 0.000 -1.575) 6.341 4.306 ( -0.088 0.000 2.014) 2.016 4.311 ( 1.185 0.000 1.519) 1.927 4.365 ( 0.419 0.000 -0.098) 0.430 4.391 ( 0.014 0.000 -1.058) 1.058 4.418 ( 3.650 0.000 1.070) 3.804 4.439 ( -2.977 0.000 2.568) 3.932 4.458 ( 1.048 0.000 -0.301) 1.091 4.466 ( 0.523 0.000 1.394) 1.489 4.527 ( -3.702 0.000 2.362) 4.391 4.563 ( -0.770 0.000 -1.806) 1.963 4.651 ( -0.439 0.000 3.204) 3.234 4.920 ( -3.295 0.000 -6.071) 6.907 8.170 ( 1.104 0.000 2.190) 2.452 8.226 ( 0.467 0.000 0.021) 0.467 8.264 ( -0.364 0.000 -0.389) 0.533 8.307 ( -1.113 0.000 -1.983) 2.274 8.678 ( -0.443 0.000 0.381) 0.584 8.707 ( -0.180 0.000 -0.813) 0.833 8.762 ( 1.357 0.000 0.816) 1.583 8.791 ( 0.574 0.000 -0.364) 0.680 10.505 ( 0.028 0.000 0.364) 0.365 10.528 ( 0.069 0.000 -1.084) 1.087 10.602 ( -1.288 0.000 1.309) 1.836 10.634 ( -1.518 0.000 -0.151) 1.525 10.807 ( -0.110 0.000 0.626) 0.636 10.836 ( -0.920 0.000 -0.232) 0.948 10.878 ( 0.642 0.000 0.136) 0.656 10.902 ( -0.075 0.000 -0.544) 0.550 11.256 ( -0.087 0.000 1.052) 1.056 11.306 ( -0.976 0.000 -0.473) 1.085 11.336 ( 0.795 0.000 -0.294) 0.847 11.349 ( 0.435 0.000 -0.289) 0.522 14.474 ( 1.027 0.000 1.189) 1.571 14.541 ( 0.170 0.000 -1.234) 1.246 14.562 ( -0.329 0.000 0.463) 0.569 14.583 ( -0.455 0.000 -0.341) 0.568 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 18.994 0.000 5.054) 19.655 0.981 ( 17.941 0.000 8.213) 19.732 1.344 ( 2.283 0.000 -8.399) 8.704 1.449 ( -0.106 0.000 -9.238) 9.239 1.560 ( 14.240 0.000 16.187) 21.560 1.659 ( -12.836 0.000 2.523) 13.082 1.715 ( -4.334 0.000 4.989) 6.608 1.716 ( -5.087 0.000 1.754) 5.381 1.905 ( -8.266 0.000 -3.991) 9.179 1.943 ( -2.853 0.000 3.267) 4.337 2.086 ( 1.833 0.000 4.956) 5.284 2.123 ( 2.851 0.000 -3.272) 4.340 2.166 ( -2.176 0.000 2.509) 3.322 2.235 ( 0.981 0.000 -2.319) 2.518 2.290 ( -1.485 0.000 -2.921) 3.277 2.314 ( 1.761 0.000 -0.652) 1.878 2.360 ( -0.130 0.000 -2.008) 2.012 2.392 ( 1.588 0.000 0.751) 1.757 2.410 ( 0.780 0.000 0.215) 0.809 2.447 ( -1.346 0.000 -2.242) 2.615 2.494 ( -1.128 0.000 -1.703) 2.042 2.682 ( -5.613 0.000 -2.250) 6.047 2.762 ( 2.388 0.000 -5.288) 5.802 2.962 ( 0.850 0.000 -2.205) 2.363 3.294 ( 6.939 0.000 1.376) 7.074 3.364 ( 3.481 0.000 -0.994) 3.620 3.521 ( -0.586 0.000 0.256) 0.639 3.532 ( -0.677 0.000 0.341) 0.758 3.595 ( 1.354 0.000 0.479) 1.437 3.609 ( 0.760 0.000 1.096) 1.334 3.632 ( -1.753 0.000 0.410) 1.801 3.650 ( -0.403 0.000 0.843) 0.935 3.676 ( 0.262 0.000 -0.341) 0.430 3.759 ( -3.163 0.000 -1.694) 3.588 3.883 ( 3.420 0.000 0.797) 3.511 3.953 ( 0.065 0.000 0.835) 0.838 4.309 ( 0.529 0.000 1.612) 1.697 4.339 ( 1.666 0.000 1.329) 2.131 4.360 ( -0.939 0.000 -0.096) 0.944 4.386 ( -0.916 0.000 2.292) 2.468 4.386 ( -0.577 0.000 0.208) 0.613 4.454 ( -3.001 0.000 1.928) 3.567 4.483 ( 1.295 0.000 0.018) 1.295 4.493 ( 2.629 0.000 -0.640) 2.706 4.533 ( 4.775 0.000 -1.337) 4.959 4.542 ( -1.412 0.000 -1.525) 2.078 4.638 ( 0.178 0.000 2.377) 2.384 4.837 ( -5.535 0.000 -5.528) 7.823 8.197 ( 1.665 0.000 1.321) 2.125 8.234 ( 0.518 0.000 -0.076) 0.524 8.252 ( -0.912 0.000 -0.119) 0.920 8.278 ( -1.699 0.000 -1.028) 1.985 8.675 ( 0.220 0.000 0.353) 0.416 8.698 ( -0.680 0.000 -0.477) 0.830 8.789 ( 1.277 0.000 0.321) 1.317 8.803 ( 0.497 0.000 -0.178) 0.528 10.517 ( 1.185 0.000 0.237) 1.208 10.533 ( 0.503 0.000 -0.647) 0.820 10.573 ( -1.643 0.000 0.808) 1.831 10.597 ( -2.300 0.000 -0.235) 2.312 10.806 ( -0.008 0.000 0.485) 0.485 10.819 ( -0.772 0.000 0.091) 0.777 10.888 ( 0.470 0.000 -0.146) 0.492 10.899 ( -0.158 0.000 -0.444) 0.471 11.258 ( 0.312 0.000 0.863) 0.918 11.287 ( -1.056 0.000 -0.058) 1.058 11.351 ( 0.723 0.000 -0.479) 0.867 11.357 ( 0.361 0.000 -0.476) 0.598 14.499 ( 1.517 0.000 0.798) 1.715 14.543 ( -0.253 0.000 -0.603) 0.654 14.556 ( -0.148 0.000 0.134) 0.200 14.572 ( -0.617 0.000 -0.280) 0.678 ======================= Grid point 66 (24/60) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -15.063 0.000 -1.339) 15.123 1.252 ( 15.063 0.000 -1.339) 15.123 1.294 ( -14.474 0.000 2.920) 14.766 1.294 ( 14.474 0.000 2.920) 14.766 1.547 ( -4.011 0.000 -0.473) 4.039 1.547 ( 4.011 0.000 -0.473) 4.039 1.754 ( -7.020 0.000 -5.226) 8.752 1.754 ( 7.020 0.000 -5.226) 8.752 1.847 ( -8.198 0.000 8.647) 11.915 1.847 ( 8.198 0.000 8.647) 11.915 2.125 ( -2.215 0.000 3.998) 4.570 2.125 ( 2.215 0.000 3.998) 4.570 2.225 ( -4.335 0.000 -5.240) 6.801 2.225 ( 4.335 0.000 -5.240) 6.801 2.315 ( -6.332 0.000 2.219) 6.709 2.315 ( 6.332 0.000 2.219) 6.709 2.344 ( -1.385 0.000 -1.397) 1.967 2.344 ( 1.385 0.000 -1.397) 1.967 2.460 ( -0.614 0.000 0.172) 0.637 2.460 ( 0.614 0.000 0.172) 0.637 2.486 ( -5.915 0.000 3.318) 6.782 2.486 ( 5.915 0.000 3.318) 6.782 2.911 ( -6.337 0.000 -8.417) 10.536 2.911 ( 6.337 0.000 -8.417) 10.536 3.388 ( -2.011 0.000 0.174) 2.018 3.388 ( 2.011 0.000 0.174) 2.018 3.516 ( -0.550 0.000 0.482) 0.731 3.516 ( 0.550 0.000 0.482) 0.731 3.617 ( -0.267 0.000 2.072) 2.089 3.617 ( 0.267 0.000 2.072) 2.089 3.626 ( -1.802 0.000 0.972) 2.047 3.626 ( 1.802 0.000 0.972) 2.047 3.702 ( -2.452 0.000 -1.512) 2.880 3.702 ( 2.452 0.000 -1.512) 2.880 3.931 ( -1.922 0.000 1.174) 2.252 3.931 ( 1.922 0.000 1.174) 2.252 4.329 ( -1.636 0.000 1.221) 2.041 4.329 ( 1.636 0.000 1.221) 2.041 4.368 ( -1.339 0.000 1.015) 1.680 4.368 ( 1.339 0.000 1.015) 1.680 4.404 ( -2.075 0.000 1.319) 2.459 4.404 ( 2.075 0.000 1.319) 2.459 4.512 ( -1.677 0.000 -1.001) 1.953 4.512 ( 1.677 0.000 -1.001) 1.953 4.544 ( -2.417 0.000 -1.043) 2.632 4.544 ( 2.417 0.000 -1.043) 2.632 4.718 ( -6.717 0.000 -2.198) 7.067 4.718 ( 6.717 0.000 -2.198) 7.067 8.228 ( -1.527 0.000 0.429) 1.586 8.228 ( 1.527 0.000 0.429) 1.586 8.250 ( -1.178 0.000 -0.323) 1.222 8.250 ( 1.178 0.000 -0.323) 1.222 8.684 ( -0.681 0.000 0.007) 0.681 8.684 ( 0.681 0.000 0.007) 0.681 8.805 ( -0.336 0.000 0.003) 0.336 8.805 ( 0.336 0.000 0.003) 0.336 10.542 ( -1.032 0.000 0.160) 1.044 10.542 ( 1.032 0.000 0.160) 1.044 10.556 ( -1.566 0.000 -0.161) 1.574 10.556 ( 1.566 0.000 -0.161) 1.574 10.809 ( -0.354 0.000 0.307) 0.469 10.809 ( 0.354 0.000 0.307) 0.469 10.895 ( -0.283 0.000 -0.313) 0.422 10.895 ( 0.283 0.000 -0.313) 0.422 11.269 ( -0.806 0.000 0.426) 0.911 11.269 ( 0.806 0.000 0.426) 0.911 11.360 ( -0.155 0.000 -0.515) 0.538 11.360 ( 0.155 0.000 -0.515) 0.538 14.526 ( -1.306 0.000 0.342) 1.350 14.526 ( 1.306 0.000 0.342) 1.350 14.561 ( -0.534 0.000 -0.325) 0.625 14.561 ( 0.534 0.000 -0.325) 0.625 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 0.000 14.680 17.146) 22.572 0.737 ( 0.000 17.838 16.772) 24.484 1.133 ( 0.000 23.646 27.395) 36.189 1.457 ( 0.000 9.321 -15.227) 17.854 1.463 ( 0.000 3.967 -12.009) 12.647 1.838 ( 0.000 -0.793 6.832) 6.878 1.962 ( 0.000 -1.253 1.187) 1.726 1.980 ( 0.000 3.643 2.640) 4.499 2.011 ( 0.000 3.327 2.472) 4.145 2.032 ( 0.000 0.316 5.186) 5.196 2.124 ( 0.000 0.494 -1.412) 1.496 2.171 ( 0.000 0.599 0.524) 0.795 2.220 ( 0.000 1.261 -5.335) 5.482 2.240 ( 0.000 -0.961 0.741) 1.214 2.280 ( 0.000 -1.946 1.695) 2.581 2.296 ( 0.000 4.602 -1.876) 4.970 2.318 ( 0.000 0.548 -0.471) 0.723 2.363 ( 0.000 3.168 -3.942) 5.057 2.426 ( 0.000 3.751 -2.400) 4.453 2.449 ( 0.000 -1.697 -6.326) 6.549 2.466 ( 0.000 -0.825 -0.581) 1.010 2.519 ( 0.000 0.374 -9.260) 9.267 2.765 ( 0.000 -5.820 1.701) 6.063 2.984 ( 0.000 -5.443 -4.017) 6.765 3.176 ( 0.000 5.463 2.782) 6.131 3.339 ( 0.000 5.061 -3.901) 6.389 3.501 ( 0.000 -3.908 1.802) 4.304 3.554 ( 0.000 1.471 0.117) 1.476 3.607 ( 0.000 2.985 0.225) 2.994 3.639 ( 0.000 -0.841 0.947) 1.267 3.659 ( 0.000 2.860 1.866) 3.415 3.695 ( 0.000 5.104 -0.664) 5.147 3.735 ( 0.000 0.044 1.496) 1.497 3.776 ( 0.000 4.068 -1.288) 4.267 3.781 ( 0.000 -0.060 -0.462) 0.466 3.822 ( 0.000 -0.213 -1.674) 1.687 4.293 ( 0.000 -0.724 1.755) 1.898 4.316 ( 0.000 1.340 1.678) 2.148 4.334 ( 0.000 -0.798 1.649) 1.832 4.382 ( 0.000 -0.785 -0.786) 1.111 4.391 ( 0.000 -0.556 0.080) 0.561 4.435 ( 0.000 -1.010 -0.231) 1.036 4.447 ( 0.000 -0.270 2.287) 2.303 4.468 ( 0.000 -1.568 0.160) 1.576 4.571 ( 0.000 -0.274 -0.272) 0.386 4.613 ( 0.000 1.295 -1.692) 2.130 4.628 ( 0.000 -1.433 4.836) 5.044 4.900 ( 0.000 -4.966 -6.341) 8.055 8.163 ( 0.000 0.374 2.485) 2.513 8.217 ( 0.000 -0.089 0.726) 0.731 8.269 ( 0.000 0.227 -0.540) 0.586 8.315 ( 0.000 -0.133 -2.374) 2.378 8.690 ( 0.000 0.433 0.203) 0.478 8.710 ( 0.000 0.432 -0.739) 0.856 8.753 ( 0.000 0.375 0.968) 1.039 8.788 ( 0.000 0.209 -0.485) 0.529 10.503 ( 0.000 -0.289 0.373) 0.472 10.528 ( 0.000 0.046 -1.150) 1.151 10.615 ( 0.000 0.007 1.299) 1.299 10.646 ( 0.000 -0.194 -0.202) 0.280 10.819 ( 0.000 1.029 0.639) 1.212 10.855 ( 0.000 0.765 -0.677) 1.022 10.877 ( 0.000 0.706 0.622) 0.941 10.906 ( 0.000 0.384 -0.486) 0.619 11.261 ( 0.000 0.311 1.024) 1.070 11.317 ( 0.000 -0.017 -1.076) 1.076 11.327 ( 0.000 -0.051 0.285) 0.289 11.341 ( 0.000 -0.296 -0.135) 0.326 14.473 ( 0.000 0.974 1.233) 1.571 14.543 ( 0.000 0.352 -1.270) 1.318 14.567 ( 0.000 0.098 0.481) 0.491 14.588 ( 0.000 0.032 -0.340) 0.342 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.17 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 4.894 12.863 15.011) 20.366 0.864 ( 12.124 14.485 14.464) 23.791 1.310 ( 11.581 15.176 12.931) 23.057 1.454 ( 2.640 7.298 -3.318) 8.440 1.497 ( 3.928 9.821 -13.558) 17.196 1.795 ( -4.296 -0.656 5.508) 7.016 1.879 ( -9.015 1.083 1.560) 9.213 1.928 ( -7.215 3.317 3.067) 8.513 1.961 ( -0.625 1.212 2.821) 3.133 2.053 ( -0.380 1.512 2.253) 2.740 2.106 ( 0.016 1.741 0.393) 1.785 2.132 ( -2.918 1.935 -1.492) 3.806 2.198 ( -1.999 -2.155 0.331) 2.958 2.249 ( 0.026 2.518 -3.825) 4.579 2.283 ( 0.583 -0.099 -1.315) 1.442 2.322 ( 1.846 2.942 0.430) 3.500 2.333 ( 0.816 -1.449 0.145) 1.669 2.381 ( 0.770 2.350 0.800) 2.599 2.425 ( -1.017 2.492 -2.821) 3.899 2.443 ( -0.536 -2.223 -2.815) 3.626 2.478 ( 1.683 -1.530 -2.191) 3.158 2.566 ( 6.017 2.642 -13.614) 15.118 2.825 ( 5.041 -5.841 1.720) 7.905 2.920 ( -6.610 -3.388 -0.359) 7.436 3.211 ( 3.543 3.583 1.955) 5.405 3.339 ( 1.027 3.317 -2.845) 4.489 3.493 ( 0.170 -3.243 1.592) 3.616 3.549 ( -1.179 1.157 -0.463) 1.715 3.606 ( 0.259 2.553 0.045) 2.566 3.639 ( 0.557 1.980 0.394) 2.094 3.668 ( -1.053 1.445 0.469) 1.848 3.696 ( -1.381 1.142 1.987) 2.676 3.703 ( 0.823 4.991 -1.336) 5.231 3.805 ( -0.408 0.214 -1.524) 1.592 3.808 ( 2.649 0.599 0.129) 2.719 3.891 ( 5.559 -0.755 -1.001) 5.699 4.294 ( 0.130 -0.650 1.733) 1.855 4.321 ( 0.631 0.736 1.849) 2.087 4.357 ( 1.102 -0.675 0.220) 1.311 4.383 ( 0.207 -0.646 -0.791) 1.042 4.410 ( 1.825 -0.997 0.334) 2.106 4.422 ( -0.575 -0.611 1.256) 1.510 4.449 ( 0.855 -0.338 0.315) 0.972 4.473 ( -0.073 -1.319 0.985) 1.648 4.549 ( -2.719 1.357 2.362) 3.849 4.576 ( -0.943 1.498 -1.311) 2.203 4.639 ( -0.272 -1.107 2.289) 2.558 4.860 ( -3.494 -5.390 -6.109) 8.865 8.174 ( 1.115 0.387 2.130) 2.435 8.224 ( 0.528 -0.149 0.318) 0.635 8.266 ( -0.338 0.248 -0.447) 0.613 8.305 ( -1.050 -0.112 -1.933) 2.202 8.684 ( -0.301 0.609 0.379) 0.778 8.713 ( -0.037 0.620 -0.842) 1.046 8.764 ( 1.198 0.140 0.848) 1.474 8.794 ( 0.581 0.249 -0.451) 0.777 10.505 ( 0.335 0.060 0.405) 0.529 10.529 ( 0.141 0.120 -1.017) 1.034 10.603 ( -1.195 0.099 1.150) 1.662 10.632 ( -1.372 -0.097 -0.240) 1.396 10.817 ( -0.098 1.044 0.583) 1.200 10.845 ( -0.860 0.864 -0.223) 1.240 10.884 ( 0.529 0.596 0.188) 0.819 10.906 ( -0.069 0.395 -0.477) 0.623 11.260 ( -0.030 0.373 1.024) 1.090 11.308 ( -0.873 0.153 -0.469) 1.003 11.334 ( 0.717 -0.181 -0.214) 0.770 11.346 ( 0.442 -0.271 -0.309) 0.604 14.483 ( 0.961 0.910 1.083) 1.710 14.545 ( 0.163 0.342 -1.149) 1.209 14.564 ( -0.246 0.192 0.454) 0.551 14.584 ( -0.416 0.071 -0.291) 0.513 ======================= Grid point 72 (27/60) ======================= q-point: ( 0.33 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 15.513 5.253 6.723) 17.705 1.140 ( 16.258 10.541 10.081) 21.842 1.369 ( -0.486 2.678 -8.107) 8.552 1.536 ( -1.640 6.950 -4.961) 8.695 1.639 ( 0.867 5.698 2.989) 6.492 1.694 ( -8.004 4.579 -0.635) 9.243 1.734 ( 2.419 4.357 7.125) 8.695 1.760 ( -5.417 4.121 3.702) 7.748 1.949 ( -1.494 3.539 4.620) 6.009 1.997 ( -5.469 5.730 -3.731) 8.756 2.117 ( 3.106 0.996 0.620) 3.320 2.131 ( 2.145 3.074 2.838) 4.701 2.187 ( 0.778 -0.967 0.251) 1.266 2.231 ( -0.967 1.845 -2.668) 3.385 2.277 ( -1.228 -0.767 -2.166) 2.606 2.340 ( 0.788 1.565 0.448) 1.808 2.362 ( 1.259 0.223 -0.070) 1.281 2.391 ( -0.878 -1.347 0.493) 1.682 2.409 ( 1.226 1.336 0.930) 2.038 2.440 ( 0.060 0.275 -3.142) 3.155 2.481 ( -0.925 -0.902 -1.566) 2.030 2.687 ( -4.566 0.948 -2.887) 5.484 2.766 ( 1.509 0.551 -4.015) 4.324 2.916 ( 2.111 -4.335 -1.765) 5.135 3.298 ( 5.338 0.160 1.017) 5.437 3.379 ( 2.358 0.742 -1.695) 2.997 3.501 ( 0.239 -2.199 1.071) 2.458 3.519 ( -1.670 -0.456 0.093) 1.733 3.619 ( 0.949 2.056 0.350) 2.291 3.643 ( -0.082 1.571 0.509) 1.654 3.653 ( -0.256 3.557 1.467) 3.857 3.676 ( -0.988 2.092 1.807) 2.936 3.718 ( 0.745 4.454 -1.340) 4.710 3.770 ( -2.171 1.496 -1.558) 3.062 3.873 ( 2.934 -1.023 0.569) 3.159 3.942 ( 0.076 -1.153 0.529) 1.271 4.299 ( 0.537 -0.570 1.748) 1.915 4.329 ( -0.094 -0.335 1.068) 1.123 4.368 ( 0.580 0.003 -0.144) 0.598 4.385 ( -0.263 -0.312 1.074) 1.149 4.399 ( -0.139 0.602 -0.795) 1.007 4.440 ( -2.078 -1.322 1.084) 2.691 4.474 ( 2.062 -0.807 -0.363) 2.244 4.486 ( 1.753 -0.508 -0.614) 1.926 4.532 ( 1.305 0.920 0.463) 1.663 4.568 ( 0.050 1.430 -1.007) 1.750 4.628 ( -0.028 -1.017 2.049) 2.288 4.783 ( -4.776 -5.078 -4.691) 8.402 8.201 ( 1.662 0.391 1.289) 2.139 8.234 ( 0.656 0.064 0.059) 0.662 8.255 ( -0.894 0.282 -0.162) 0.951 8.279 ( -1.588 0.078 -1.026) 1.892 8.684 ( 0.330 0.869 0.348) 0.992 8.707 ( -0.574 0.878 -0.492) 1.159 8.789 ( 1.256 -0.017 0.339) 1.301 8.805 ( 0.398 0.150 -0.242) 0.489 10.520 ( 1.252 0.304 0.212) 1.306 10.535 ( 0.573 0.269 -0.619) 0.885 10.575 ( -1.560 0.272 0.718) 1.739 10.598 ( -2.175 0.110 -0.260) 2.193 10.816 ( 0.004 1.073 0.447) 1.162 10.829 ( -0.719 0.985 0.084) 1.222 10.893 ( 0.413 0.465 -0.108) 0.631 10.904 ( -0.165 0.397 -0.400) 0.588 11.262 ( 0.333 0.452 0.827) 0.999 11.290 ( -0.984 0.319 -0.042) 1.035 11.348 ( 0.694 -0.278 -0.411) 0.853 11.354 ( 0.351 -0.286 -0.458) 0.644 14.506 ( 1.411 0.737 0.731) 1.752 14.546 ( -0.205 0.365 -0.559) 0.698 14.559 ( -0.133 0.282 0.131) 0.338 14.574 ( -0.568 0.160 -0.244) 0.639 ======================= Grid point 73 (28/60) ======================= q-point: (-0.50 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -14.949 1.160 0.657) 15.009 1.223 ( 14.949 1.160 0.657) 15.009 1.445 ( -14.785 9.379 5.810) 18.447 1.445 ( 14.785 9.379 5.810) 18.447 1.536 ( -4.683 0.773 -3.400) 5.839 1.536 ( 4.683 0.773 -3.400) 5.839 1.803 ( -3.813 5.192 -1.332) 6.578 1.803 ( 3.813 5.192 -1.332) 6.578 1.917 ( -1.856 5.775 1.740) 6.310 1.917 ( 1.856 5.775 1.740) 6.310 2.162 ( -1.188 2.973 3.115) 4.467 2.162 ( 1.188 2.973 3.115) 4.467 2.225 ( -1.672 0.151 -4.063) 4.397 2.225 ( 1.672 0.151 -4.063) 4.397 2.305 ( -5.488 -0.757 1.201) 5.668 2.305 ( 5.488 -0.757 1.201) 5.668 2.377 ( -1.253 2.715 -0.296) 3.005 2.377 ( 1.253 2.715 -0.296) 3.005 2.453 ( -1.209 -0.431 -1.473) 1.954 2.453 ( 1.209 -0.431 -1.473) 1.954 2.488 ( -8.097 1.313 5.353) 9.795 2.488 ( 8.097 1.313 5.353) 9.795 2.888 ( -5.087 -2.061 -7.202) 9.055 2.888 ( 5.087 -2.061 -7.202) 9.055 3.383 ( -2.684 -1.021 0.083) 2.873 3.383 ( 2.684 -1.021 0.083) 2.873 3.500 ( -0.269 -1.176 0.676) 1.383 3.500 ( 0.269 -1.176 0.676) 1.383 3.637 ( -1.081 1.752 1.662) 2.646 3.637 ( 1.081 1.752 1.662) 2.646 3.657 ( -1.126 2.946 1.367) 3.437 3.657 ( 1.126 2.946 1.367) 3.437 3.736 ( -1.326 3.559 -1.558) 4.105 3.736 ( 1.326 3.559 -1.558) 4.105 3.918 ( -2.016 -1.333 0.751) 2.531 3.918 ( 2.016 -1.333 0.751) 2.531 4.315 ( -1.093 -0.659 1.221) 1.767 4.315 ( 1.093 -0.659 1.221) 1.767 4.379 ( -0.435 -0.187 -0.042) 0.476 4.379 ( 0.435 -0.187 -0.042) 0.476 4.408 ( -1.080 0.497 0.629) 1.345 4.408 ( 1.080 0.497 0.629) 1.345 4.498 ( -0.333 -0.481 -0.429) 0.726 4.498 ( 0.333 -0.481 -0.429) 0.726 4.556 ( -1.346 0.521 -1.255) 1.913 4.556 ( 1.346 0.521 -1.255) 1.913 4.685 ( -5.262 -3.067 -1.118) 6.192 4.685 ( 5.262 -3.067 -1.118) 6.192 8.232 ( -1.504 0.361 0.411) 1.600 8.232 ( 1.504 0.361 0.411) 1.600 8.252 ( -1.196 0.176 -0.295) 1.244 8.252 ( 1.196 0.176 -0.295) 1.244 8.694 ( -0.685 0.983 -0.001) 1.198 8.694 ( 0.685 0.983 -0.001) 1.198 8.805 ( -0.392 0.012 -0.017) 0.393 8.805 ( 0.392 0.012 -0.017) 0.393 10.546 ( -1.039 0.359 0.121) 1.106 10.546 ( 1.039 0.359 0.121) 1.106 10.559 ( -1.505 0.277 -0.159) 1.538 10.559 ( 1.505 0.277 -0.159) 1.538 10.819 ( -0.333 1.063 0.283) 1.149 10.819 ( 0.333 1.063 0.283) 1.149 10.900 ( -0.270 0.403 -0.279) 0.560 10.900 ( 0.270 0.403 -0.279) 0.560 11.273 ( -0.766 0.434 0.414) 0.973 11.273 ( 0.766 0.434 0.414) 0.973 11.357 ( -0.154 -0.303 -0.471) 0.581 11.357 ( 0.154 -0.303 -0.471) 0.581 14.532 ( -1.202 0.530 0.318) 1.352 14.532 ( 1.202 0.530 0.318) 1.352 14.564 ( -0.497 0.242 -0.295) 0.627 14.564 ( 0.497 0.242 -0.295) 0.627 ======================= Grid point 77 (29/60) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 0.000 17.421 9.195) 19.699 1.057 ( 0.000 16.621 14.085) 21.786 1.515 ( 0.000 8.162 -7.319) 10.962 1.645 ( 0.000 9.201 -11.632) 14.831 1.675 ( 0.000 18.777 11.730) 22.140 1.849 ( 0.000 5.721 4.148) 7.066 1.928 ( 0.000 -2.307 0.476) 2.355 1.999 ( 0.000 -2.878 0.728) 2.969 2.041 ( 0.000 3.433 1.622) 3.797 2.083 ( 0.000 3.529 -1.182) 3.722 2.150 ( 0.000 0.580 2.708) 2.770 2.187 ( 0.000 -3.533 3.839) 5.217 2.227 ( 0.000 4.191 2.312) 4.786 2.236 ( 0.000 0.872 0.476) 0.993 2.270 ( 0.000 0.753 1.431) 1.617 2.276 ( 0.000 -2.639 -0.228) 2.649 2.372 ( 0.000 -1.164 -2.853) 3.081 2.386 ( 0.000 -1.570 -1.304) 2.041 2.404 ( 0.000 -2.466 -0.374) 2.495 2.478 ( 0.000 3.965 -1.536) 4.252 2.521 ( 0.000 3.018 -2.182) 3.724 2.596 ( 0.000 8.616 -11.732) 14.556 2.696 ( 0.000 0.753 -0.462) 0.884 2.875 ( 0.000 -5.574 -2.896) 6.281 3.267 ( 0.000 3.832 1.463) 4.102 3.404 ( 0.000 1.675 -2.695) 3.173 3.427 ( 0.000 -3.123 1.286) 3.378 3.561 ( 0.000 -1.072 0.712) 1.287 3.611 ( 0.000 -2.070 -0.829) 2.230 3.671 ( 0.000 3.504 0.190) 3.509 3.712 ( 0.000 2.559 2.749) 3.756 3.778 ( 0.000 -0.832 0.754) 1.123 3.788 ( 0.000 4.860 -0.470) 4.883 3.809 ( 0.000 6.098 -0.902) 6.164 3.818 ( 0.000 0.637 -1.108) 1.278 3.837 ( 0.000 2.452 -1.295) 2.773 4.287 ( 0.000 0.031 1.234) 1.235 4.307 ( 0.000 -2.093 1.199) 2.412 4.338 ( 0.000 0.202 1.981) 1.992 4.361 ( 0.000 -1.337 0.055) 1.339 4.394 ( 0.000 1.192 -0.156) 1.203 4.417 ( 0.000 0.239 -1.285) 1.307 4.439 ( 0.000 -1.063 0.721) 1.284 4.450 ( 0.000 0.137 0.636) 0.651 4.549 ( 0.000 -1.869 1.652) 2.494 4.609 ( 0.000 -0.740 1.664) 1.821 4.615 ( 0.000 -1.040 1.747) 2.033 4.789 ( 0.000 -6.552 -7.621) 10.050 8.173 ( 0.000 0.645 2.288) 2.377 8.214 ( 0.000 -0.228 0.970) 0.997 8.276 ( 0.000 0.468 -0.754) 0.887 8.311 ( 0.000 -0.265 -2.177) 2.193 8.701 ( 0.000 0.682 0.217) 0.716 8.720 ( 0.000 0.493 -0.577) 0.759 8.761 ( 0.000 0.544 0.759) 0.933 8.791 ( 0.000 0.154 -0.470) 0.494 10.504 ( 0.000 0.294 0.400) 0.496 10.529 ( 0.000 0.003 -0.866) 0.866 10.617 ( 0.000 0.236 0.843) 0.876 10.643 ( 0.000 -0.090 -0.457) 0.465 10.844 ( 0.000 1.612 0.494) 1.686 10.874 ( 0.000 1.073 -0.555) 1.208 10.891 ( 0.000 0.755 0.607) 0.969 10.914 ( 0.000 0.303 -0.278) 0.412 11.270 ( 0.000 0.591 0.942) 1.112 11.315 ( 0.000 -0.183 -0.612) 0.639 11.327 ( 0.000 -0.033 0.069) 0.076 11.334 ( 0.000 -0.382 -0.300) 0.485 14.498 ( 0.000 1.523 0.904) 1.771 14.551 ( 0.000 0.393 -1.025) 1.098 14.570 ( 0.000 0.284 0.440) 0.524 14.588 ( 0.000 -0.023 -0.200) 0.202 ======================= Grid point 78 (30/60) ======================= q-point: ( 0.17 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 0.938 17.405 8.922) 19.581 1.134 ( 7.795 14.259 13.143) 20.901 1.487 ( -2.594 6.032 -8.047) 10.386 1.676 ( 1.890 9.108 -4.475) 10.323 1.719 ( 2.351 5.815 1.109) 6.369 1.826 ( -3.167 5.038 0.249) 5.956 1.935 ( -3.715 1.286 2.073) 4.444 1.947 ( 2.098 11.527 4.991) 12.735 2.039 ( -2.632 1.499 1.976) 3.617 2.075 ( 0.530 2.921 1.864) 3.505 2.107 ( -0.375 -1.126 -0.887) 1.481 2.149 ( -3.722 -1.698 1.011) 4.215 2.210 ( -0.757 4.384 2.928) 5.326 2.268 ( 1.738 -1.787 -0.639) 2.574 2.272 ( -0.946 -1.004 -0.304) 1.413 2.319 ( 3.065 0.917 0.338) 3.217 2.342 ( -1.388 -1.864 -0.570) 2.393 2.374 ( -1.128 -2.200 0.404) 2.505 2.424 ( 0.701 -1.780 -0.883) 2.107 2.502 ( 1.360 6.706 -0.768) 6.885 2.518 ( 0.050 3.573 -3.204) 4.800 2.650 ( 5.159 6.819 -9.378) 12.690 2.735 ( 4.004 -1.760 -0.033) 4.374 2.851 ( -2.452 -3.528 -1.578) 4.577 3.273 ( 0.809 2.852 0.934) 3.108 3.379 ( -1.654 0.681 -2.251) 2.875 3.435 ( 1.399 -2.528 2.007) 3.518 3.554 ( -2.358 -1.050 -2.503) 3.596 3.615 ( 1.417 -1.477 1.365) 2.460 3.671 ( -0.091 2.070 -0.200) 2.082 3.724 ( 0.615 2.822 2.571) 3.867 3.752 ( -0.844 4.624 1.263) 4.867 3.811 ( 0.238 3.194 0.054) 3.204 3.818 ( 1.588 3.221 -1.320) 3.826 3.831 ( -0.138 2.142 -1.376) 2.549 3.872 ( 3.536 -1.043 -0.666) 3.746 4.288 ( 0.110 -0.174 1.483) 1.498 4.316 ( 0.784 -1.535 1.131) 2.062 4.348 ( 0.665 -0.605 1.548) 1.791 4.365 ( 0.184 -1.204 -0.934) 1.535 4.404 ( 0.811 0.919 0.036) 1.226 4.415 ( 0.416 0.492 -1.004) 1.193 4.442 ( 0.091 -0.612 0.646) 0.895 4.454 ( 0.668 -0.104 0.549) 0.871 4.544 ( -0.327 -1.352 1.141) 1.799 4.599 ( -0.578 0.259 0.860) 1.068 4.613 ( -0.528 -1.700 1.945) 2.636 4.751 ( -3.421 -5.716 -6.262) 9.143 8.184 ( 1.117 0.638 1.969) 2.352 8.221 ( 0.644 -0.188 0.737) 0.997 8.273 ( -0.323 0.463 -0.634) 0.849 8.303 ( -0.880 -0.159 -1.801) 2.011 8.699 ( 0.067 0.969 0.358) 1.035 8.727 ( 0.423 0.812 -0.858) 1.255 8.767 ( 0.773 0.216 0.851) 1.170 8.798 ( 0.516 0.060 -0.470) 0.701 10.509 ( 0.621 0.406 0.327) 0.811 10.532 ( 0.317 0.112 -0.773) 0.843 10.607 ( -1.011 0.337 0.750) 1.303 10.632 ( -1.219 -0.016 -0.399) 1.283 10.844 ( -0.060 1.640 0.449) 1.701 10.865 ( -0.664 1.248 -0.187) 1.426 10.897 ( 0.377 0.636 0.224) 0.772 10.913 ( -0.056 0.304 -0.298) 0.429 11.270 ( 0.092 0.676 0.907) 1.135 11.312 ( -0.561 0.234 -0.465) 0.765 11.328 ( 0.498 -0.408 0.023) 0.645 11.340 ( 0.420 -0.376 -0.387) 0.684 14.506 ( 0.785 1.412 0.797) 1.802 14.552 ( 0.171 0.409 -0.915) 1.016 14.569 ( -0.142 0.328 0.390) 0.529 14.585 ( -0.316 0.042 -0.170) 0.361 ======================= Grid point 79 (31/60) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 8.273 12.585 5.810) 16.143 1.324 ( 11.573 9.101 10.317) 17.978 1.434 ( -3.431 3.791 -4.392) 6.741 1.620 ( -6.103 2.073 0.493) 6.464 1.698 ( -6.365 2.194 -2.505) 7.183 1.809 ( -6.789 4.175 5.988) 9.968 1.829 ( 4.243 8.225 -8.519) 12.579 1.957 ( -0.520 9.845 1.952) 10.051 2.024 ( -2.191 4.537 0.958) 5.129 2.088 ( -3.000 2.376 -3.404) 5.122 2.133 ( 1.875 -2.904 -0.773) 3.542 2.158 ( 6.147 2.619 4.207) 7.896 2.200 ( 1.720 2.160 2.230) 3.550 2.235 ( -2.134 -0.018 -2.068) 2.972 2.274 ( -0.777 -0.393 -0.106) 0.877 2.312 ( -2.045 -4.012 -0.025) 4.503 2.368 ( 3.243 2.439 1.348) 4.275 2.404 ( 3.637 1.641 1.824) 4.387 2.434 ( 0.912 -0.004 -1.226) 1.528 2.507 ( -1.284 2.938 -1.325) 3.469 2.511 ( -0.035 8.667 1.229) 8.754 2.731 ( -2.560 3.547 -2.580) 5.078 2.788 ( 2.271 1.986 -3.036) 4.280 2.832 ( 3.230 -3.409 -1.393) 4.898 3.300 ( 2.096 0.301 0.478) 2.171 3.367 ( -0.035 -1.682 -1.251) 2.096 3.461 ( 1.047 -2.014 1.052) 2.502 3.507 ( -2.108 -1.108 -1.004) 2.584 3.638 ( 1.112 -0.245 0.936) 1.474 3.672 ( 0.129 1.055 0.349) 1.119 3.727 ( -0.034 4.175 2.248) 4.742 3.743 ( -0.426 4.986 2.200) 5.466 3.809 ( -0.019 3.392 -0.520) 3.432 3.825 ( -0.346 3.519 -1.333) 3.778 3.854 ( 1.765 0.332 -0.774) 1.956 3.907 ( -0.126 -2.440 -0.250) 2.456 4.294 ( 0.616 -0.138 1.519) 1.645 4.326 ( -0.048 -0.386 0.568) 0.689 4.357 ( 0.349 -1.248 0.628) 1.440 4.365 ( -0.138 -1.048 -1.534) 1.863 4.408 ( 0.029 0.768 -0.554) 0.948 4.420 ( -0.547 -0.392 -0.654) 0.939 4.467 ( 2.462 -0.488 -0.272) 2.524 4.479 ( 1.885 0.426 0.128) 1.937 4.542 ( 0.179 -0.524 0.317) 0.638 4.584 ( -1.438 -0.217 -0.305) 1.486 4.604 ( 0.191 -1.217 1.670) 2.075 4.684 ( -3.465 -4.551 -2.828) 6.381 8.211 ( 1.638 0.611 1.195) 2.118 8.236 ( 0.931 0.063 0.332) 0.990 8.262 ( -0.853 0.477 -0.277) 1.015 8.281 ( -1.350 0.107 -0.980) 1.671 8.706 ( 0.608 1.379 0.318) 1.541 8.728 ( -0.290 1.358 -0.535) 1.488 8.788 ( 1.152 -0.210 0.387) 1.233 8.806 ( 0.234 -0.093 -0.314) 0.403 10.528 ( 1.346 0.535 0.151) 1.457 10.541 ( 0.762 0.350 -0.500) 0.976 10.583 ( -1.413 0.504 0.472) 1.572 10.601 ( -1.936 0.198 -0.302) 1.969 10.843 ( 0.021 1.675 0.342) 1.709 10.853 ( -0.559 1.489 0.064) 1.592 10.903 ( 0.294 0.476 -0.046) 0.561 10.911 ( -0.152 0.325 -0.281) 0.456 11.274 ( 0.390 0.800 0.713) 1.141 11.298 ( -0.773 0.573 -0.045) 0.963 11.340 ( 0.627 -0.566 -0.217) 0.873 11.347 ( 0.286 -0.486 -0.414) 0.700 14.524 ( 1.137 1.133 0.546) 1.695 14.555 ( -0.037 0.514 -0.477) 0.702 14.565 ( -0.142 0.375 0.162) 0.432 14.578 ( -0.449 0.178 -0.155) 0.507 ======================= Grid point 80 (32/60) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -10.878 5.665 1.230) 12.326 1.292 ( 10.878 5.665 1.230) 12.326 1.525 ( -6.729 2.053 3.531) 7.871 1.525 ( 6.729 2.053 3.531) 7.871 1.648 ( -4.717 7.705 2.407) 9.349 1.648 ( 4.717 7.705 2.407) 9.349 1.945 ( -3.614 8.610 -2.875) 9.771 1.945 ( 3.614 8.610 -2.875) 9.771 2.001 ( -2.627 2.750 -2.857) 4.756 2.001 ( 2.627 2.750 -2.857) 4.756 2.179 ( -2.542 -2.279 -1.353) 3.672 2.179 ( 2.542 -2.279 -1.353) 3.672 2.225 ( -2.198 -0.331 0.695) 2.329 2.225 ( 2.198 -0.331 0.695) 2.329 2.279 ( -1.507 -1.939 0.884) 2.610 2.279 ( 1.507 -1.939 0.884) 2.610 2.432 ( -1.526 3.193 -0.232) 3.547 2.432 ( 1.526 3.193 -0.232) 3.547 2.472 ( -1.884 2.391 0.174) 3.049 2.472 ( 1.884 2.391 0.174) 3.049 2.584 ( -8.931 8.822 4.103) 13.206 2.584 ( 8.931 8.822 4.103) 13.206 2.853 ( -1.745 -1.087 -4.471) 4.921 2.853 ( 1.745 -1.087 -4.471) 4.921 3.346 ( -2.353 -2.258 0.434) 3.290 3.346 ( 2.353 -2.258 0.434) 3.290 3.479 ( -1.116 -1.413 -0.194) 1.811 3.479 ( 1.116 -1.413 -0.194) 1.811 3.662 ( -1.271 0.849 1.190) 1.938 3.662 ( 1.271 0.849 1.190) 1.938 3.733 ( -0.584 4.760 2.210) 5.281 3.733 ( 0.584 4.760 2.210) 5.281 3.816 ( -0.600 3.372 -0.894) 3.540 3.816 ( 0.600 3.372 -0.894) 3.540 3.885 ( -1.610 -1.480 -0.562) 2.258 3.885 ( 1.610 -1.480 -0.562) 2.258 4.312 ( -1.167 0.145 0.769) 1.405 4.312 ( 1.167 0.145 0.769) 1.405 4.362 ( -0.166 -1.184 -0.751) 1.412 4.362 ( 0.166 -1.184 -0.751) 1.412 4.411 ( -0.351 0.097 -0.407) 0.547 4.411 ( 0.351 0.097 -0.407) 0.547 4.500 ( -0.494 0.032 -1.098) 1.204 4.500 ( 0.494 0.032 -1.098) 1.204 4.554 ( -1.323 -0.494 -0.729) 1.589 4.554 ( 1.323 -0.494 -0.729) 1.589 4.627 ( -2.325 -2.631 0.817) 3.605 4.627 ( 2.325 -2.631 0.817) 3.605 8.241 ( -1.443 0.549 0.350) 1.583 8.241 ( 1.443 0.549 0.350) 1.583 8.256 ( -1.234 0.236 -0.205) 1.273 8.256 ( 1.234 0.236 -0.205) 1.273 8.719 ( -0.685 1.546 -0.021) 1.691 8.719 ( 0.685 1.546 -0.021) 1.691 8.804 ( -0.493 -0.238 -0.049) 0.549 8.804 ( 0.493 -0.238 -0.049) 0.549 10.555 ( -1.083 0.580 0.035) 1.229 10.555 ( 1.083 0.580 0.035) 1.229 10.565 ( -1.396 0.397 -0.152) 1.459 10.565 ( 1.396 0.397 -0.152) 1.459 10.845 ( -0.265 1.639 0.216) 1.675 10.845 ( 0.265 1.639 0.216) 1.675 10.908 ( -0.222 0.373 -0.195) 0.476 10.908 ( 0.222 0.373 -0.195) 0.476 11.284 ( -0.664 0.776 0.357) 1.082 11.284 ( 0.664 0.776 0.357) 1.082 11.348 ( -0.174 -0.575 -0.347) 0.693 11.348 ( 0.174 -0.575 -0.347) 0.693 14.545 ( -0.938 0.809 0.249) 1.264 14.545 ( 0.938 0.809 0.249) 1.264 14.569 ( -0.414 0.290 -0.216) 0.550 14.569 ( 0.414 0.290 -0.216) 0.550 ======================= Grid point 84 (33/60) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 0.000 14.762 3.977) 15.288 1.358 ( 0.000 14.774 8.332) 16.962 1.635 ( 0.000 5.651 -6.498) 8.612 1.748 ( 0.000 -2.413 4.132) 4.785 1.758 ( 0.000 1.542 -5.722) 5.926 1.864 ( 0.000 -5.491 1.733) 5.758 1.966 ( 0.000 1.251 -1.209) 1.740 2.057 ( 0.000 4.707 1.167) 4.849 2.100 ( 0.000 2.503 -0.541) 2.561 2.116 ( 0.000 -2.279 3.226) 3.950 2.131 ( 0.000 -1.354 -1.012) 1.690 2.189 ( 0.000 1.451 3.278) 3.585 2.214 ( 0.000 -3.609 -1.685) 3.983 2.246 ( 0.000 -1.499 5.514) 5.714 2.275 ( 0.000 2.728 -1.206) 2.983 2.314 ( 0.000 -2.041 0.625) 2.134 2.337 ( 0.000 3.611 1.143) 3.787 2.381 ( 0.000 -0.406 -0.920) 1.006 2.431 ( 0.000 9.234 3.294) 9.804 2.489 ( 0.000 -0.564 -2.164) 2.237 2.559 ( 0.000 3.351 -0.893) 3.468 2.707 ( 0.000 3.520 -4.491) 5.706 2.793 ( 0.000 -2.857 0.058) 2.857 2.829 ( 0.000 6.790 -1.831) 7.032 3.323 ( 0.000 2.463 0.401) 2.495 3.380 ( 0.000 -1.525 1.700) 2.284 3.436 ( 0.000 1.878 -3.079) 3.606 3.517 ( 0.000 -3.018 -0.217) 3.026 3.576 ( 0.000 -0.916 -1.174) 1.489 3.694 ( 0.000 -1.791 -2.395) 2.990 3.759 ( 0.000 0.854 1.320) 1.572 3.763 ( 0.000 -0.310 0.427) 0.528 3.834 ( 0.000 2.747 0.362) 2.770 3.877 ( 0.000 3.870 -0.521) 3.905 3.885 ( 0.000 1.779 -1.122) 2.103 3.901 ( 0.000 3.186 -0.762) 3.276 4.266 ( 0.000 -1.720 0.163) 1.728 4.281 ( 0.000 -1.114 1.128) 1.585 4.321 ( 0.000 -0.784 -0.173) 0.803 4.338 ( 0.000 -1.027 0.461) 1.126 4.423 ( 0.000 0.682 0.173) 0.704 4.444 ( 0.000 0.225 -0.424) 0.480 4.452 ( 0.000 3.473 0.485) 3.506 4.456 ( 0.000 2.038 -0.251) 2.054 4.516 ( 0.000 -1.380 0.557) 1.488 4.583 ( 0.000 -1.969 2.340) 3.058 4.590 ( 0.000 -1.244 1.910) 2.279 4.664 ( 0.000 -6.454 -4.748) 8.012 8.186 ( 0.000 0.709 2.007) 2.129 8.208 ( 0.000 -0.417 1.305) 1.370 8.286 ( 0.000 0.564 -1.078) 1.216 8.305 ( 0.000 -0.406 -1.854) 1.898 8.714 ( 0.000 0.649 0.198) 0.679 8.726 ( 0.000 0.117 -0.211) 0.241 8.773 ( 0.000 0.685 0.270) 0.736 8.792 ( 0.000 -0.163 -0.394) 0.426 10.512 ( 0.000 0.512 0.238) 0.565 10.527 ( 0.000 -0.200 -0.417) 0.463 10.624 ( 0.000 0.487 0.283) 0.564 10.640 ( 0.000 -0.260 -0.445) 0.516 10.875 ( 0.000 1.546 0.257) 1.568 10.892 ( 0.000 0.788 -0.364) 0.868 10.903 ( 0.000 0.434 0.404) 0.593 10.915 ( 0.000 -0.216 -0.040) 0.220 11.282 ( 0.000 0.727 0.751) 1.045 11.308 ( 0.000 -0.545 0.050) 0.547 11.326 ( 0.000 0.002 -0.182) 0.182 11.329 ( 0.000 -0.182 -0.515) 0.547 14.527 ( 0.000 1.424 0.451) 1.494 14.555 ( 0.000 -0.010 -0.602) 0.602 14.576 ( 0.000 0.320 0.298) 0.438 14.586 ( 0.000 -0.174 -0.040) 0.179 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.17 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 0.064 14.952 4.142) 15.515 1.392 ( 3.412 12.587 8.208) 15.409 1.583 ( -4.446 3.576 -3.817) 6.864 1.710 ( -3.401 -2.417 1.489) 4.430 1.783 ( 0.688 1.379 -3.130) 3.489 1.861 ( 0.465 -0.854 -2.632) 2.806 1.967 ( 0.443 2.631 -0.828) 2.794 2.030 ( -3.084 1.187 0.846) 3.411 2.074 ( -0.870 -1.237 1.930) 2.452 2.097 ( -1.463 -0.828 -2.893) 3.346 2.150 ( -1.115 -3.259 0.133) 3.447 2.170 ( -0.431 2.784 1.956) 3.430 2.229 ( -0.460 -1.086 -0.161) 1.190 2.250 ( -0.008 -0.743 2.970) 3.062 2.276 ( -0.338 -0.594 0.342) 0.765 2.321 ( 1.781 2.960 3.241) 4.737 2.348 ( 0.475 1.189 0.164) 1.291 2.367 ( 0.857 -0.948 0.375) 1.332 2.454 ( 2.472 8.826 3.466) 9.799 2.527 ( 2.723 -0.571 -2.981) 4.077 2.587 ( 3.026 5.221 -0.302) 6.042 2.738 ( 2.758 2.487 -3.242) 4.930 2.802 ( 0.748 -1.486 -0.651) 1.786 2.837 ( 0.999 6.832 -1.792) 7.133 3.320 ( -0.223 2.362 0.225) 2.383 3.379 ( -1.535 -0.320 -0.481) 1.640 3.407 ( -0.280 -0.449 1.064) 1.188 3.506 ( -2.126 -3.898 -1.931) 4.842 3.590 ( 1.825 -0.006 -0.107) 1.828 3.689 ( -0.219 -0.206 -1.999) 2.021 3.773 ( 0.904 0.584 1.599) 1.928 3.789 ( 1.955 -1.542 0.832) 2.625 3.834 ( 0.029 2.311 0.196) 2.319 3.865 ( -0.847 3.498 -0.555) 3.642 3.892 ( 0.407 1.679 -1.057) 2.025 3.902 ( 0.116 2.848 -0.859) 2.977 4.274 ( 0.639 -1.028 0.766) 1.433 4.290 ( 0.929 -1.255 0.411) 1.615 4.330 ( 0.768 -0.510 -0.070) 0.924 4.346 ( 0.622 -0.826 -0.451) 1.129 4.428 ( 0.705 0.607 0.492) 1.053 4.446 ( -0.493 0.266 0.166) 0.585 4.447 ( -0.239 2.297 0.299) 2.329 4.464 ( 1.176 2.644 -0.789) 2.999 4.514 ( -0.134 -1.586 0.470) 1.660 4.576 ( -0.638 -1.857 1.215) 2.309 4.587 ( -0.317 -1.362 1.688) 2.192 4.650 ( -1.367 -5.040 -3.520) 6.298 8.196 ( 1.078 0.674 1.732) 2.148 8.216 ( 0.813 -0.331 1.101) 1.408 8.283 ( -0.353 0.526 -0.908) 1.107 8.299 ( -0.652 -0.284 -1.554) 1.708 8.718 ( 0.539 0.974 0.279) 1.148 8.738 ( 1.045 0.172 -0.486) 1.165 8.774 ( 0.153 0.556 0.428) 0.718 8.796 ( 0.324 -0.307 -0.397) 0.597 10.519 ( 0.713 0.531 0.186) 0.908 10.532 ( 0.521 -0.100 -0.386) 0.656 10.615 ( -0.893 0.519 0.252) 1.063 10.630 ( -1.056 -0.174 -0.389) 1.138 10.875 ( -0.013 1.578 0.239) 1.597 10.888 ( -0.359 1.039 -0.137) 1.108 10.905 ( 0.160 0.229 0.173) 0.328 10.914 ( -0.059 -0.236 -0.079) 0.256 11.284 ( 0.250 0.828 0.699) 1.112 11.313 ( 0.332 -0.362 -0.156) 0.516 11.322 ( -0.196 -0.017 -0.011) 0.197 11.333 ( 0.253 -0.358 -0.420) 0.607 14.532 ( 0.559 1.307 0.400) 1.477 14.557 ( 0.237 0.039 -0.536) 0.587 14.576 ( -0.096 0.327 0.267) 0.433 14.584 ( -0.194 -0.111 -0.032) 0.226 ======================= Grid point 86 (35/60) ======================= q-point: ( 0.33 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 2.471 12.732 3.362) 13.398 1.474 ( 4.828 6.046 6.067) 9.832 1.498 ( -4.407 2.788 -1.081) 5.325 1.633 ( -4.351 -0.931 -0.092) 4.451 1.757 ( -1.376 4.577 0.070) 4.780 1.904 ( -5.963 5.566 3.611) 8.921 1.929 ( 5.436 1.603 -5.558) 7.938 2.034 ( 1.892 -1.536 -2.767) 3.687 2.050 ( -1.212 -0.019 -1.698) 2.086 2.087 ( -3.409 -0.695 -0.049) 3.479 2.094 ( 1.324 -2.586 0.381) 2.930 2.168 ( -3.169 -1.233 -0.668) 3.465 2.193 ( -0.176 -1.964 -0.842) 2.144 2.236 ( -1.252 0.146 0.537) 1.370 2.251 ( -2.183 0.471 0.306) 2.254 2.302 ( -2.725 -0.090 0.591) 2.790 2.404 ( 5.228 0.894 1.911) 5.638 2.439 ( 4.248 0.256 2.415) 4.893 2.509 ( 2.308 5.622 2.240) 6.477 2.548 ( -0.966 1.283 -0.502) 1.683 2.667 ( 5.192 9.143 1.244) 10.588 2.789 ( 1.841 2.668 -1.597) 3.613 2.816 ( 1.000 0.783 -1.485) 1.954 2.864 ( 1.294 4.731 -2.291) 5.413 3.318 ( 0.089 1.756 -0.071) 1.760 3.345 ( -1.381 -0.019 -0.273) 1.408 3.419 ( 0.749 -2.603 0.799) 2.824 3.464 ( -1.872 -3.611 -1.152) 4.228 3.632 ( 2.618 0.548 0.542) 2.729 3.690 ( 0.125 0.706 -0.256) 0.761 3.779 ( -0.271 -0.423 2.047) 2.108 3.805 ( -0.638 -2.860 1.434) 3.262 3.833 ( -0.069 2.769 0.248) 2.781 3.848 ( -0.888 3.544 -0.052) 3.654 3.899 ( 0.375 1.148 -1.346) 1.808 3.906 ( 0.152 2.080 -1.111) 2.364 4.291 ( 1.266 0.029 0.763) 1.479 4.311 ( 1.161 -0.826 -0.351) 1.467 4.340 ( 0.129 -0.309 -0.005) 0.335 4.354 ( 0.024 -0.399 -1.205) 1.270 4.429 ( -0.542 1.085 -0.172) 1.225 4.437 ( -0.611 2.069 0.024) 2.158 4.460 ( 1.804 -0.028 0.272) 1.825 4.492 ( 1.208 0.654 -0.741) 1.561 4.517 ( 0.797 -1.485 0.301) 1.712 4.562 ( -0.753 -1.119 -0.656) 1.500 4.581 ( -0.222 -1.687 1.272) 2.125 4.617 ( -2.035 -2.952 -1.041) 3.734 8.222 ( 1.567 0.586 1.045) 1.972 8.236 ( 1.207 -0.093 0.604) 1.353 8.272 ( -0.843 0.474 -0.444) 1.064 8.282 ( -1.100 -0.034 -0.844) 1.387 8.733 ( 0.951 1.417 0.242) 1.723 8.754 ( 0.322 1.119 -0.602) 1.311 8.781 ( 0.687 -0.362 0.455) 0.900 8.800 ( 0.040 -0.543 -0.314) 0.628 10.538 ( 1.354 0.521 0.063) 1.452 10.547 ( 1.016 0.139 -0.285) 1.064 10.593 ( -1.361 0.540 0.147) 1.472 10.604 ( -1.683 0.042 -0.277) 1.707 10.875 ( 0.023 1.608 0.189) 1.619 10.881 ( -0.323 1.352 0.034) 1.391 10.908 ( 0.131 -0.007 -0.005) 0.131 10.913 ( -0.112 -0.233 -0.118) 0.284 11.291 ( 0.469 0.973 0.519) 1.198 11.310 ( -0.445 0.683 -0.116) 0.823 11.327 ( 0.547 -0.804 0.043) 0.973 11.337 ( 0.105 -0.613 -0.322) 0.700 14.546 ( 0.805 1.024 0.285) 1.333 14.563 ( 0.301 0.206 -0.362) 0.514 14.572 ( -0.273 0.326 0.212) 0.476 14.579 ( -0.324 0.007 -0.048) 0.328 ======================= Grid point 87 (36/60) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -4.468 6.788 1.361) 8.239 1.415 ( 4.468 6.788 1.361) 8.239 1.556 ( -3.967 0.531 1.054) 4.139 1.556 ( 3.967 0.531 1.054) 4.139 1.790 ( -4.969 7.641 3.674) 9.828 1.790 ( 4.969 7.641 3.674) 9.828 2.030 ( -3.242 0.452 -3.607) 4.871 2.030 ( 3.242 0.452 -3.607) 4.871 2.042 ( -2.877 -0.661 -0.915) 3.091 2.042 ( 2.877 -0.661 -0.915) 3.091 2.122 ( -3.533 -2.531 -2.142) 4.845 2.122 ( 3.533 -2.531 -2.142) 4.845 2.196 ( -2.466 -0.166 -0.481) 2.518 2.196 ( 2.466 -0.166 -0.481) 2.518 2.256 ( -2.028 -1.034 0.881) 2.441 2.256 ( 2.028 -1.034 0.881) 2.441 2.491 ( -2.829 2.301 0.998) 3.781 2.491 ( 2.829 2.301 0.998) 3.781 2.511 ( -1.317 1.319 2.161) 2.854 2.511 ( 1.317 1.319 2.161) 2.854 2.760 ( -4.035 8.379 1.034) 9.357 2.760 ( 4.035 8.379 1.034) 9.357 2.859 ( -2.028 1.367 -2.614) 3.580 2.859 ( 2.028 1.367 -2.614) 3.580 3.325 ( -0.734 0.503 0.106) 0.896 3.325 ( 0.734 0.503 0.106) 0.896 3.436 ( -1.174 -3.200 -0.695) 3.479 3.436 ( 1.174 -3.200 -0.695) 3.479 3.679 ( -1.756 1.250 1.177) 2.456 3.679 ( 1.756 1.250 1.177) 2.456 3.781 ( -1.031 -2.811 1.664) 3.426 3.781 ( 1.031 -2.811 1.664) 3.426 3.836 ( -0.384 3.599 0.431) 3.645 3.836 ( 0.384 3.599 0.431) 3.645 3.905 ( -0.214 1.399 -1.330) 1.942 3.905 ( 0.214 1.399 -1.330) 1.942 4.316 ( -1.006 0.358 0.011) 1.068 4.316 ( 1.006 0.358 0.011) 1.068 4.345 ( -0.721 -0.677 -0.680) 1.200 4.345 ( 0.721 -0.677 -0.680) 1.200 4.427 ( -0.345 1.705 -0.170) 1.748 4.427 ( 0.345 1.705 -0.170) 1.748 4.490 ( -1.115 -0.798 -0.635) 1.511 4.490 ( 1.115 -0.798 -0.635) 1.511 4.545 ( -1.424 -0.436 -0.790) 1.686 4.545 ( 1.424 -0.436 -0.790) 1.686 4.585 ( -0.972 -2.093 0.884) 2.471 4.585 ( 0.972 -2.093 0.884) 2.471 8.251 ( -1.372 0.494 0.242) 1.478 8.251 ( 1.372 0.494 0.242) 1.478 8.259 ( -1.274 0.073 -0.063) 1.277 8.259 ( 1.274 0.073 -0.063) 1.277 8.749 ( -0.668 1.598 -0.047) 1.733 8.749 ( 0.668 1.598 -0.047) 1.733 8.795 ( -0.572 -0.720 -0.067) 0.922 8.795 ( 0.572 -0.720 -0.067) 0.922 10.566 ( -1.161 0.515 -0.049) 1.270 10.566 ( 1.161 0.515 -0.049) 1.270 10.572 ( -1.313 0.223 -0.136) 1.338 10.572 ( 1.313 0.223 -0.136) 1.338 10.876 ( -0.154 1.544 0.123) 1.556 10.876 ( 0.154 1.544 0.123) 1.556 10.910 ( -0.129 -0.157 -0.092) 0.223 10.910 ( 0.129 -0.157 -0.092) 0.223 11.301 ( -0.529 0.947 0.229) 1.108 11.301 ( 0.529 0.947 0.229) 1.108 11.335 ( -0.255 -0.797 -0.164) 0.853 11.335 ( 0.255 -0.797 -0.164) 0.853 14.560 ( -0.632 0.723 0.145) 0.971 14.560 ( 0.632 0.723 0.145) 0.971 14.573 ( -0.355 0.058 -0.105) 0.375 14.573 ( 0.355 0.058 -0.105) 0.375 ======================= Grid point 91 (37/60) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 0.000 -2.648 -0.038) 2.649 1.527 ( 0.000 2.648 -0.038) 2.649 1.703 ( 0.000 -4.281 6.795) 8.031 1.703 ( 0.000 4.281 6.795) 8.031 1.748 ( 0.000 -4.790 -2.658) 5.478 1.748 ( 0.000 4.790 -2.658) 5.478 2.040 ( 0.000 -4.602 -2.488) 5.231 2.040 ( 0.000 4.602 -2.488) 5.231 2.112 ( 0.000 -0.959 -0.868) 1.293 2.112 ( 0.000 0.959 -0.868) 1.293 2.147 ( 0.000 -3.120 -2.253) 3.849 2.147 ( 0.000 3.120 -2.253) 3.849 2.205 ( 0.000 -1.773 3.872) 4.259 2.205 ( 0.000 1.773 3.872) 4.259 2.289 ( 0.000 -0.818 2.968) 3.079 2.289 ( 0.000 0.818 2.968) 3.079 2.373 ( 0.000 -0.656 -0.309) 0.725 2.373 ( 0.000 0.656 -0.309) 0.725 2.491 ( 0.000 -0.545 -1.668) 1.755 2.491 ( 0.000 0.545 -1.668) 1.755 2.741 ( 0.000 -2.027 -0.553) 2.101 2.741 ( 0.000 2.027 -0.553) 2.101 2.795 ( 0.000 -7.986 2.443) 8.352 2.795 ( 0.000 7.986 2.443) 8.352 3.358 ( 0.000 -1.164 1.208) 1.678 3.358 ( 0.000 1.164 1.208) 1.678 3.474 ( 0.000 -1.873 -2.501) 3.124 3.474 ( 0.000 1.873 -2.501) 3.124 3.613 ( 0.000 -4.923 -2.729) 5.629 3.613 ( 0.000 4.923 -2.729) 5.629 3.763 ( 0.000 -0.020 0.518) 0.518 3.763 ( 0.000 0.020 0.518) 0.518 3.886 ( 0.000 -1.693 -0.364) 1.732 3.886 ( 0.000 1.693 -0.364) 1.732 3.923 ( 0.000 -0.828 -0.618) 1.033 3.923 ( 0.000 0.828 -0.618) 1.033 4.256 ( 0.000 -0.733 -0.189) 0.757 4.256 ( 0.000 0.733 -0.189) 0.757 4.323 ( 0.000 -0.598 0.256) 0.651 4.323 ( 0.000 0.598 0.256) 0.651 4.435 ( 0.000 -0.681 -0.064) 0.684 4.435 ( 0.000 0.681 -0.064) 0.684 4.491 ( 0.000 -1.036 0.165) 1.049 4.491 ( 0.000 1.036 0.165) 1.049 4.544 ( 0.000 -4.634 -1.728) 4.945 4.544 ( 0.000 4.634 -1.728) 4.945 4.572 ( 0.000 -0.376 2.444) 2.473 4.572 ( 0.000 0.376 2.444) 2.473 8.198 ( 0.000 -0.605 1.668) 1.774 8.198 ( 0.000 0.605 1.668) 1.774 8.296 ( 0.000 -0.527 -1.464) 1.556 8.296 ( 0.000 0.527 -1.464) 1.556 8.723 ( 0.000 -0.348 0.081) 0.357 8.723 ( 0.000 0.348 0.081) 0.357 8.785 ( 0.000 -0.534 -0.169) 0.560 8.785 ( 0.000 0.534 -0.169) 0.560 10.521 ( 0.000 -0.432 -0.016) 0.432 10.521 ( 0.000 0.432 -0.016) 0.432 10.633 ( 0.000 -0.480 -0.185) 0.514 10.633 ( 0.000 0.480 -0.185) 0.514 10.897 ( 0.000 -0.538 -0.121) 0.551 10.897 ( 0.000 0.538 -0.121) 0.551 10.908 ( 0.000 -0.250 0.235) 0.343 10.908 ( 0.000 0.250 0.235) 0.343 11.296 ( 0.000 -0.727 0.470) 0.866 11.296 ( 0.000 0.727 0.470) 0.866 11.327 ( 0.000 -0.055 -0.416) 0.420 11.327 ( 0.000 0.055 -0.416) 0.420 14.548 ( 0.000 -0.772 -0.068) 0.775 14.548 ( 0.000 0.772 -0.068) 0.775 14.582 ( 0.000 -0.278 0.120) 0.303 14.582 ( 0.000 0.278 0.120) 0.303 ======================= Grid point 93 (38/60) ======================= q-point: ( 0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -0.181 -3.756 0.401) 3.782 1.528 ( -0.181 3.756 0.401) 3.782 1.630 ( -4.476 -5.196 3.660) 7.773 1.630 ( -4.476 5.196 3.660) 7.773 1.804 ( 3.377 -2.461 -0.420) 4.199 1.804 ( 3.377 2.461 -0.420) 4.199 2.033 ( -0.195 -3.067 -1.728) 3.525 2.033 ( -0.195 3.067 -1.728) 3.525 2.078 ( -3.667 -2.185 -1.205) 4.435 2.078 ( -3.667 2.185 -1.205) 4.435 2.127 ( -1.279 -4.145 -2.241) 4.883 2.127 ( -1.279 4.145 -2.241) 4.883 2.234 ( 0.749 -2.104 4.219) 4.773 2.234 ( 0.749 2.104 4.219) 4.773 2.303 ( 2.007 -2.735 1.255) 3.617 2.303 ( 2.007 2.735 1.255) 3.617 2.357 ( -0.877 -0.279 0.797) 1.218 2.357 ( -0.877 0.279 0.797) 1.218 2.523 ( 2.708 -0.892 -1.749) 3.345 2.523 ( 2.708 0.892 -1.749) 3.345 2.754 ( 1.570 -3.077 -0.802) 3.547 2.754 ( 1.570 3.077 -0.802) 3.547 2.825 ( 2.633 -6.443 2.015) 7.246 2.825 ( 2.633 6.443 2.015) 7.246 3.362 ( 0.288 -1.676 0.931) 1.939 3.362 ( 0.288 1.676 0.931) 1.939 3.433 ( -3.231 -3.292 -1.285) 4.788 3.433 ( -3.231 3.292 -1.285) 4.788 3.637 ( 1.773 -4.368 -2.954) 5.563 3.637 ( 1.773 4.368 -2.954) 5.563 3.770 ( 0.372 -0.336 1.019) 1.135 3.770 ( 0.372 0.336 1.019) 1.135 3.886 ( 0.041 -1.676 -0.436) 1.732 3.886 ( 0.041 1.676 -0.436) 1.732 3.918 ( -0.465 -1.024 -0.384) 1.188 3.918 ( -0.465 1.024 -0.384) 1.188 4.269 ( 1.240 -0.582 0.078) 1.372 4.269 ( 1.240 0.582 0.078) 1.372 4.333 ( 0.888 -0.557 -0.238) 1.075 4.333 ( 0.888 0.557 -0.238) 1.075 4.438 ( 0.343 -0.583 0.067) 0.680 4.438 ( 0.343 0.583 0.067) 0.680 4.487 ( -0.433 -1.451 0.179) 1.524 4.487 ( -0.433 1.451 0.179) 1.524 4.536 ( -0.485 -3.767 -0.671) 3.857 4.536 ( -0.485 3.767 -0.671) 3.857 4.576 ( 0.104 -1.686 1.005) 1.966 4.576 ( 0.104 1.686 1.005) 1.966 8.208 ( 0.976 -0.535 1.436) 1.816 8.208 ( 0.976 0.535 1.436) 1.816 8.292 ( -0.459 -0.442 -1.232) 1.387 8.292 ( -0.459 0.442 -1.232) 1.387 8.733 ( 0.982 -0.606 0.053) 1.155 8.733 ( 0.982 0.606 0.053) 1.155 8.786 ( 0.101 -0.644 -0.158) 0.671 8.786 ( 0.101 0.644 -0.158) 0.671 10.527 ( 0.672 -0.382 -0.037) 0.774 10.527 ( 0.672 0.382 -0.037) 0.774 10.624 ( -0.919 -0.433 -0.164) 1.029 10.624 ( -0.919 0.433 -0.164) 1.029 10.898 ( 0.051 -0.507 -0.099) 0.519 10.898 ( 0.051 0.507 -0.099) 0.519 10.906 ( -0.159 -0.284 0.190) 0.376 10.906 ( -0.159 0.284 0.190) 0.376 11.300 ( 0.414 -0.818 0.409) 1.004 11.300 ( 0.414 0.818 0.409) 1.004 11.326 ( -0.054 -0.336 -0.346) 0.486 11.326 ( -0.054 0.336 -0.346) 0.486 14.551 ( 0.363 -0.686 -0.058) 0.778 14.551 ( 0.363 0.686 -0.058) 0.778 14.581 ( -0.110 -0.248 0.107) 0.291 14.581 ( -0.110 0.248 0.107) 0.291 ======================= Grid point 95 (39/60) ======================= q-point: ( 0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -0.566 -2.277 0.826) 2.487 1.517 ( -0.566 2.277 0.826) 2.487 1.562 ( -2.756 -6.066 1.963) 6.946 1.562 ( -2.756 6.066 1.963) 6.946 1.869 ( 3.656 -6.417 0.257) 7.390 1.869 ( 3.656 6.417 0.257) 7.390 1.998 ( -3.795 -3.765 0.589) 5.378 1.998 ( -3.795 3.765 0.589) 5.378 2.042 ( 0.522 -0.436 -2.576) 2.664 2.042 ( 0.522 0.436 -2.576) 2.664 2.107 ( -1.108 -3.064 -2.033) 3.840 2.107 ( -1.108 3.064 -2.033) 3.840 2.215 ( -1.218 -2.345 1.732) 3.159 2.215 ( -1.218 2.345 1.732) 3.159 2.284 ( -2.951 -1.401 -0.758) 3.353 2.284 ( -2.951 1.401 -0.758) 3.353 2.421 ( 5.618 -1.280 3.206) 6.594 2.421 ( 5.618 1.280 3.206) 6.594 2.556 ( 0.034 -0.651 0.273) 0.707 2.556 ( 0.034 0.651 0.273) 0.707 2.803 ( 3.511 -2.305 -1.889) 4.605 2.803 ( 3.511 2.305 -1.889) 4.605 2.869 ( 1.403 -4.502 0.621) 4.756 2.869 ( 1.403 4.502 0.621) 4.756 3.365 ( 0.047 -2.470 0.099) 2.472 3.365 ( 0.047 2.470 0.099) 2.472 3.384 ( -1.643 -3.853 -0.589) 4.230 3.384 ( -1.643 3.853 -0.589) 4.230 3.671 ( 2.053 -2.927 -1.008) 3.715 3.671 ( 2.053 2.927 -1.008) 3.715 3.761 ( -1.533 -0.240 1.662) 2.274 3.761 ( -1.533 0.240 1.662) 2.274 3.889 ( 0.309 -1.751 -0.434) 1.830 3.889 ( 0.309 1.751 -0.434) 1.830 3.908 ( -0.559 -1.503 -0.085) 1.606 3.908 ( -0.559 1.503 -0.085) 1.606 4.298 ( 1.745 -0.631 0.149) 1.862 4.298 ( 1.745 0.631 0.149) 1.862 4.344 ( -0.013 -0.600 -0.691) 0.916 4.344 ( -0.013 0.600 -0.691) 0.916 4.449 ( 0.871 -0.762 0.145) 1.166 4.449 ( 0.871 0.762 0.145) 1.166 4.478 ( -0.527 -1.471 -0.007) 1.562 4.478 ( -0.527 1.471 -0.007) 1.562 4.534 ( 0.391 -2.485 -0.209) 2.524 4.534 ( 0.391 2.485 -0.209) 2.524 4.570 ( -0.746 -1.569 -0.055) 1.738 4.570 ( -0.746 1.569 -0.055) 1.738 8.232 ( 1.426 -0.364 0.845) 1.698 8.232 ( 1.426 0.364 0.845) 1.698 8.279 ( -0.919 -0.285 -0.646) 1.159 8.279 ( -0.919 0.285 -0.646) 1.159 8.756 ( 1.271 -0.882 -0.006) 1.547 8.756 ( 1.271 0.882 -0.006) 1.547 8.786 ( -0.213 -0.822 -0.120) 0.857 8.786 ( -0.213 0.822 -0.120) 0.857 10.546 ( 1.240 -0.236 -0.077) 1.264 10.546 ( 1.240 0.236 -0.077) 1.264 10.601 ( -1.467 -0.298 -0.129) 1.502 10.601 ( -1.467 0.298 -0.129) 1.502 10.899 ( 0.061 -0.436 -0.046) 0.442 10.899 ( 0.061 0.436 -0.046) 0.442 10.903 ( -0.176 -0.344 0.096) 0.398 10.903 ( -0.176 0.344 0.096) 0.398 11.310 ( 0.550 -0.939 0.250) 1.117 11.310 ( 0.550 0.939 0.250) 1.117 11.324 ( -0.180 -0.671 -0.172) 0.715 11.324 ( -0.180 0.671 -0.172) 0.715 14.560 ( 0.539 -0.490 -0.026) 0.729 14.560 ( 0.539 0.490 -0.026) 0.729 14.577 ( -0.286 -0.224 0.071) 0.370 14.577 ( -0.286 0.224 0.071) 0.370 ======================= Grid point 97 (40/60) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -1.078 -4.099 0.899) 4.333 1.523 ( 0.888 -4.087 0.899) 4.278 1.523 ( -0.888 4.087 0.899) 4.278 1.523 ( 1.078 4.099 0.899) 4.333 1.934 ( -3.179 -7.373 1.077) 8.101 1.934 ( 3.179 -7.373 1.077) 8.101 1.934 ( -3.179 7.373 1.077) 8.101 1.934 ( 3.179 7.373 1.077) 8.101 2.069 ( -2.048 -2.530 -1.904) 3.771 2.069 ( 0.738 -2.343 -1.904) 3.108 2.069 ( -0.738 2.343 -1.904) 3.108 2.069 ( 2.048 2.530 -1.904) 3.771 2.229 ( -2.451 -1.983 -0.553) 3.201 2.229 ( 2.448 -1.982 -0.553) 3.198 2.229 ( -2.448 1.982 -0.553) 3.198 2.229 ( 2.451 1.983 -0.553) 3.201 2.516 ( -4.008 -0.588 2.435) 4.727 2.516 ( -3.979 0.536 2.435) 4.696 2.516 ( 3.979 -0.536 2.435) 4.696 2.516 ( 4.008 0.588 2.435) 4.727 2.863 ( -2.088 -2.164 -1.313) 3.281 2.863 ( 2.024 -2.148 -1.313) 3.230 2.863 ( -2.024 2.148 -1.313) 3.230 2.863 ( 2.088 2.164 -1.313) 3.281 3.367 ( -0.369 -3.574 -0.576) 3.639 3.367 ( 0.369 -3.574 -0.576) 3.639 3.367 ( -0.369 3.574 -0.576) 3.639 3.367 ( 0.369 3.574 -0.576) 3.639 3.717 ( -1.822 -2.739 1.240) 3.516 3.717 ( -0.349 -2.589 1.240) 2.892 3.717 ( 0.349 2.589 1.240) 2.892 3.717 ( 1.822 2.739 1.240) 3.516 3.898 ( -0.477 -2.147 -0.167) 2.206 3.898 ( 0.433 -2.145 -0.167) 2.194 3.898 ( -0.433 2.145 -0.167) 2.194 3.898 ( 0.477 2.147 -0.167) 2.206 4.329 ( -1.248 -0.899 -0.317) 1.570 4.329 ( -0.120 -0.649 -0.317) 0.732 4.329 ( 0.120 0.649 -0.317) 0.732 4.329 ( 1.248 0.899 -0.317) 1.570 4.466 ( -0.646 -1.972 -0.054) 2.076 4.466 ( 0.521 -1.962 -0.054) 2.031 4.466 ( -0.521 1.962 -0.054) 2.031 4.466 ( 0.646 1.972 -0.054) 2.076 4.550 ( -1.085 -1.227 -0.268) 1.660 4.550 ( 0.686 -1.153 -0.268) 1.368 4.550 ( -0.686 1.153 -0.268) 1.368 4.550 ( 1.085 1.227 -0.268) 1.660 8.258 ( -1.316 -0.237 0.098) 1.341 8.258 ( -1.316 0.237 0.098) 1.341 8.258 ( 1.316 -0.237 0.098) 1.341 8.258 ( 1.316 0.237 0.098) 1.341 8.776 ( -0.718 -1.232 -0.066) 1.428 8.776 ( 0.444 -1.199 -0.066) 1.281 8.776 ( -0.444 1.199 -0.066) 1.281 8.776 ( 0.718 1.232 -0.066) 1.428 10.572 ( -1.541 -0.147 -0.105) 1.552 10.572 ( -1.531 0.119 -0.105) 1.540 10.572 ( 1.531 -0.119 -0.105) 1.540 10.572 ( 1.541 0.147 -0.105) 1.552 10.900 ( -0.046 -0.928 0.017) 0.930 10.900 ( 0.037 -0.928 0.017) 0.929 10.900 ( -0.037 0.928 0.017) 0.929 10.900 ( 0.046 0.928 0.017) 0.930 11.319 ( -0.389 -0.937 0.042) 1.015 11.319 ( 0.375 -0.936 0.042) 1.009 11.319 ( -0.375 0.936 0.042) 1.009 11.319 ( 0.389 0.937 0.042) 1.015 14.570 ( -0.454 -0.349 0.022) 0.573 14.570 ( 0.172 -0.279 0.022) 0.328 14.570 ( -0.172 0.279 0.022) 0.328 14.570 ( 0.454 0.349 0.022) 0.573 ======================= Grid point 126 (41/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 0.000 0.000 -20.127) 20.127 0.944 ( 0.000 0.000 20.127) 20.127 1.034 ( 0.000 0.000 -19.968) 19.968 1.034 ( 0.000 0.000 19.968) 19.968 1.719 ( 0.000 0.000 -31.946) 31.946 1.719 ( 0.000 0.000 31.946) 31.946 1.986 ( 0.000 0.000 -1.315) 1.315 1.986 ( 0.000 0.000 1.315) 1.315 2.016 ( 0.000 0.000 -4.685) 4.685 2.016 ( 0.000 0.000 4.685) 4.685 2.093 ( 0.000 0.000 -9.461) 9.461 2.093 ( 0.000 0.000 9.461) 9.461 2.180 ( 0.000 0.000 -5.037) 5.037 2.180 ( 0.000 0.000 5.037) 5.037 2.237 ( 0.000 0.000 -4.418) 4.418 2.237 ( 0.000 0.000 4.418) 4.418 2.289 ( 0.000 0.000 -1.655) 1.655 2.289 ( 0.000 0.000 1.655) 1.655 2.351 ( 0.000 0.000 -0.798) 0.798 2.351 ( 0.000 0.000 0.798) 0.798 2.493 ( 0.000 0.000 -0.528) 0.528 2.493 ( 0.000 0.000 0.528) 0.528 2.957 ( 0.000 0.000 -5.217) 5.217 2.957 ( 0.000 0.000 5.217) 5.217 3.181 ( 0.000 0.000 -4.034) 4.034 3.181 ( 0.000 0.000 4.034) 4.034 3.536 ( 0.000 0.000 -0.053) 0.053 3.536 ( 0.000 0.000 0.053) 0.053 3.602 ( 0.000 0.000 -1.931) 1.931 3.602 ( 0.000 0.000 1.931) 1.931 3.660 ( 0.000 0.000 -0.194) 0.194 3.660 ( 0.000 0.000 0.194) 0.194 3.760 ( 0.000 0.000 -3.388) 3.388 3.760 ( 0.000 0.000 3.388) 3.388 3.777 ( 0.000 0.000 -0.669) 0.669 3.777 ( 0.000 0.000 0.669) 0.669 4.344 ( 0.000 0.000 -2.304) 2.304 4.344 ( 0.000 0.000 2.304) 2.304 4.362 ( 0.000 0.000 -1.923) 1.923 4.362 ( 0.000 0.000 1.923) 1.923 4.412 ( 0.000 0.000 -2.009) 2.009 4.412 ( 0.000 0.000 2.009) 2.009 4.514 ( 0.000 0.000 -2.763) 2.763 4.514 ( 0.000 0.000 2.763) 2.763 4.517 ( 0.000 0.000 -2.731) 2.731 4.517 ( 0.000 0.000 2.731) 2.731 4.816 ( 0.000 0.000 -7.654) 7.654 4.816 ( 0.000 0.000 7.654) 7.654 8.220 ( 0.000 0.000 -1.670) 1.670 8.220 ( 0.000 0.000 1.670) 1.670 8.263 ( 0.000 0.000 -1.050) 1.050 8.263 ( 0.000 0.000 1.050) 1.050 8.693 ( 0.000 0.000 -0.449) 0.449 8.693 ( 0.000 0.000 0.449) 0.449 8.770 ( 0.000 0.000 -0.879) 0.879 8.770 ( 0.000 0.000 0.879) 0.879 10.509 ( 0.000 0.000 -0.371) 0.371 10.509 ( 0.000 0.000 0.371) 0.371 10.641 ( 0.000 0.000 -0.779) 0.779 10.641 ( 0.000 0.000 0.779) 0.779 10.828 ( 0.000 0.000 -0.992) 0.992 10.828 ( 0.000 0.000 0.992) 0.992 10.886 ( 0.000 0.000 -0.846) 0.846 10.886 ( 0.000 0.000 0.846) 0.846 11.286 ( 0.000 0.000 -1.457) 1.457 11.286 ( 0.000 0.000 1.457) 1.457 11.338 ( 0.000 0.000 -0.433) 0.433 11.338 ( 0.000 0.000 0.433) 0.433 14.502 ( 0.000 0.000 -1.909) 1.909 14.502 ( 0.000 0.000 1.909) 1.909 14.577 ( 0.000 0.000 -0.538) 0.538 14.577 ( 0.000 0.000 0.538) 0.538 ======================= Grid point 128 (42/60) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 0.758 0.000 -18.206) 18.222 1.023 ( 0.758 0.000 18.206) 18.222 1.024 ( 7.934 0.000 -17.438) 19.158 1.024 ( 7.934 0.000 17.438) 19.158 1.816 ( 6.830 0.000 -23.567) 24.537 1.816 ( 6.830 0.000 23.567) 24.537 1.926 ( -6.641 0.000 -1.843) 6.892 1.926 ( -6.641 0.000 1.843) 6.892 1.952 ( -6.459 0.000 -4.831) 8.066 1.952 ( -6.459 0.000 4.831) 8.066 2.081 ( 1.996 0.000 -10.936) 11.117 2.081 ( 1.996 0.000 10.936) 11.117 2.179 ( -0.081 0.000 -4.014) 4.015 2.179 ( -0.081 0.000 4.014) 4.015 2.255 ( 0.492 0.000 -2.422) 2.472 2.255 ( 0.492 0.000 2.422) 2.472 2.299 ( 0.890 0.000 -1.788) 1.997 2.299 ( 0.890 0.000 1.788) 1.997 2.371 ( 2.743 0.000 -1.108) 2.958 2.371 ( 2.743 0.000 1.108) 2.958 2.482 ( -0.969 0.000 -1.050) 1.429 2.482 ( -0.969 0.000 1.050) 1.429 2.951 ( -1.538 0.000 -1.546) 2.181 2.951 ( -1.538 0.000 1.546) 2.181 3.230 ( 4.720 0.000 -3.320) 5.771 3.230 ( 4.720 0.000 3.320) 5.771 3.535 ( -0.153 0.000 -0.316) 0.351 3.535 ( -0.153 0.000 0.316) 0.351 3.607 ( 0.581 0.000 -1.941) 2.026 3.607 ( 0.581 0.000 1.941) 2.026 3.631 ( -1.371 0.000 -2.176) 2.572 3.631 ( -1.371 0.000 2.176) 2.572 3.748 ( -1.299 0.000 -3.106) 3.367 3.748 ( -1.299 0.000 3.106) 3.367 3.848 ( 5.324 0.000 -2.889) 6.058 3.848 ( 5.324 0.000 2.889) 6.058 4.349 ( -0.816 0.000 -1.536) 1.740 4.349 ( -0.816 0.000 1.536) 1.740 4.353 ( 0.870 0.000 -2.097) 2.270 4.353 ( 0.870 0.000 2.097) 2.270 4.440 ( 1.948 0.000 -1.006) 2.193 4.440 ( 1.948 0.000 1.006) 2.193 4.504 ( -0.920 0.000 -3.064) 3.199 4.504 ( -0.920 0.000 3.064) 3.199 4.513 ( -0.405 0.000 -2.505) 2.537 4.513 ( -0.405 0.000 2.505) 2.537 4.778 ( -3.403 0.000 -6.832) 7.632 4.778 ( -3.403 0.000 6.832) 7.632 8.221 ( 0.206 0.000 -1.460) 1.474 8.221 ( 0.206 0.000 1.460) 1.474 8.262 ( -0.182 0.000 -0.973) 0.990 8.262 ( -0.182 0.000 0.973) 0.990 8.690 ( -0.237 0.000 -0.695) 0.735 8.690 ( -0.237 0.000 0.695) 0.735 8.780 ( 0.891 0.000 -0.685) 1.124 8.780 ( 0.891 0.000 0.685) 1.124 10.511 ( 0.249 0.000 -0.424) 0.492 10.511 ( 0.249 0.000 0.424) 0.492 10.625 ( -1.556 0.000 -0.730) 1.718 10.625 ( -1.556 0.000 0.730) 1.718 10.824 ( -0.365 0.000 -0.781) 0.862 10.824 ( -0.365 0.000 0.781) 0.862 10.887 ( 0.134 0.000 -0.659) 0.672 10.887 ( 0.134 0.000 0.659) 0.672 11.284 ( -0.235 0.000 -1.343) 1.363 11.284 ( -0.235 0.000 1.343) 1.363 11.339 ( 0.268 0.000 -0.480) 0.550 11.339 ( 0.268 0.000 0.480) 0.550 14.507 ( 0.579 0.000 -1.697) 1.793 14.507 ( 0.579 0.000 1.697) 1.793 14.573 ( -0.357 0.000 -0.508) 0.621 14.573 ( -0.357 0.000 0.508) 0.621 ======================= Grid point 130 (43/60) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 8.223 0.000 -11.289) 13.967 1.109 ( 8.223 0.000 11.289) 13.967 1.208 ( 10.546 0.000 -11.572) 15.657 1.208 ( 10.546 0.000 11.572) 15.657 1.707 ( -12.293 0.000 -1.130) 12.344 1.707 ( -12.293 0.000 1.130) 12.344 1.798 ( -9.111 0.000 -4.937) 10.363 1.798 ( -9.111 0.000 4.937) 10.363 1.946 ( 3.746 0.000 -9.806) 10.497 1.946 ( 3.746 0.000 9.806) 10.497 2.134 ( 0.552 0.000 -8.982) 8.999 2.134 ( 0.552 0.000 8.982) 8.999 2.179 ( 0.082 0.000 -2.188) 2.190 2.179 ( 0.082 0.000 2.188) 2.190 2.299 ( 5.504 0.000 -6.531) 8.541 2.299 ( 5.504 0.000 6.531) 8.541 2.314 ( 0.607 0.000 -1.354) 1.484 2.314 ( 0.607 0.000 1.354) 1.484 2.445 ( 0.372 0.000 -2.820) 2.845 2.445 ( 0.372 0.000 2.820) 2.845 2.476 ( 5.340 0.000 -3.978) 6.658 2.476 ( 5.340 0.000 3.978) 6.658 2.868 ( -7.445 0.000 -6.184) 9.678 2.868 ( -7.445 0.000 6.184) 9.678 3.332 ( 5.288 0.000 -1.807) 5.589 3.332 ( 5.288 0.000 1.807) 5.589 3.530 ( -0.449 0.000 -0.443) 0.631 3.530 ( -0.449 0.000 0.443) 0.631 3.624 ( 1.290 0.000 -1.893) 2.291 3.624 ( 1.290 0.000 1.893) 2.291 3.634 ( 1.411 0.000 -0.859) 1.652 3.634 ( 1.411 0.000 0.859) 1.652 3.712 ( -2.539 0.000 -2.384) 3.483 3.712 ( -2.539 0.000 2.384) 3.483 3.922 ( 2.118 0.000 -2.551) 3.315 3.922 ( 2.118 0.000 2.551) 3.315 4.343 ( 0.260 0.000 -1.262) 1.289 4.343 ( 0.260 0.000 1.262) 1.289 4.373 ( 1.038 0.000 -1.417) 1.757 4.373 ( 1.038 0.000 1.417) 1.757 4.441 ( -1.704 0.000 -2.184) 2.770 4.441 ( -1.704 0.000 2.184) 2.770 4.503 ( -0.556 0.000 -1.696) 1.785 4.503 ( -0.556 0.000 1.696) 1.785 4.511 ( 1.663 0.000 -1.300) 2.111 4.511 ( 1.663 0.000 1.300) 2.111 4.716 ( -2.731 0.000 -4.864) 5.578 4.716 ( -2.731 0.000 4.864) 5.578 8.228 ( 0.489 0.000 -0.933) 1.053 8.228 ( 0.489 0.000 0.933) 1.053 8.254 ( -0.632 0.000 -0.636) 0.897 8.254 ( -0.632 0.000 0.636) 0.897 8.686 ( -0.141 0.000 -0.564) 0.582 8.686 ( -0.141 0.000 0.564) 0.582 8.797 ( 0.799 0.000 -0.330) 0.864 8.797 ( 0.799 0.000 0.330) 0.864 10.522 ( 0.972 0.000 -0.311) 1.020 10.522 ( 0.972 0.000 0.311) 1.020 10.588 ( -2.186 0.000 -0.561) 2.257 10.588 ( -2.186 0.000 0.561) 2.257 10.817 ( -0.343 0.000 -0.384) 0.514 10.817 ( -0.343 0.000 0.384) 0.514 10.890 ( 0.109 0.000 -0.317) 0.335 10.890 ( 0.109 0.000 0.317) 0.335 11.279 ( -0.297 0.000 -0.783) 0.838 11.279 ( -0.297 0.000 0.783) 0.838 11.347 ( 0.432 0.000 -0.256) 0.503 11.347 ( 0.432 0.000 0.256) 0.503 14.521 ( 0.830 0.000 -1.139) 1.409 14.521 ( 0.830 0.000 1.139) 1.409 14.564 ( -0.587 0.000 -0.445) 0.737 14.564 ( -0.587 0.000 0.445) 0.737 ======================= Grid point 132 (44/60) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -0.000 0.000 0.000) 0.000 1.240 ( 0.000 0.000 0.000) 0.000 1.340 ( -0.000 0.000 0.000) 0.000 1.340 ( 0.000 0.000 0.000) 0.000 1.539 ( 0.000 0.000 0.000) 0.000 1.539 ( 0.000 0.000 0.000) 0.000 1.680 ( 0.000 0.000 0.000) 0.000 1.680 ( 0.000 0.000 0.000) 0.000 1.985 ( 0.000 0.000 -0.000) 0.000 1.985 ( 0.000 0.000 -0.000) 0.000 2.126 ( 0.000 0.000 0.000) 0.000 2.126 ( 0.000 0.000 0.000) 0.000 2.180 ( 0.000 0.000 -0.000) 0.000 2.180 ( 0.000 0.000 0.000) 0.000 2.320 ( 0.000 0.000 0.000) 0.000 2.320 ( 0.000 0.000 0.000) 0.000 2.384 ( 0.000 0.000 -0.000) 0.000 2.384 ( 0.000 0.000 0.000) 0.000 2.406 ( 0.000 0.000 0.000) 0.000 2.406 ( -0.000 0.000 0.000) 0.000 2.624 ( -0.000 0.000 -0.000) 0.000 2.624 ( 0.000 0.000 0.000) 0.000 2.722 ( 0.000 0.000 0.000) 0.000 2.722 ( 0.000 0.000 0.000) 0.000 3.390 ( 0.000 0.000 0.000) 0.000 3.390 ( 0.000 0.000 0.000) 0.000 3.523 ( 0.000 0.000 0.000) 0.000 3.523 ( 0.000 0.000 0.000) 0.000 3.654 ( 0.000 0.000 -0.000) 0.000 3.654 ( 0.000 0.000 0.000) 0.000 3.655 ( 0.000 0.000 0.000) 0.000 3.655 ( 0.000 0.000 0.000) 0.000 3.667 ( -0.000 0.000 0.000) 0.000 3.667 ( -0.000 0.000 0.000) 0.000 3.937 ( 0.000 0.000 0.000) 0.000 3.937 ( 0.000 0.000 0.000) 0.000 4.349 ( 0.000 0.000 0.000) 0.000 4.349 ( -0.000 0.000 0.000) 0.000 4.384 ( -0.000 0.000 0.000) 0.000 4.384 ( 0.000 0.000 0.000) 0.000 4.419 ( 0.000 0.000 0.000) 0.000 4.419 ( 0.000 0.000 0.000) 0.000 4.496 ( 0.000 0.000 0.000) 0.000 4.496 ( 0.000 0.000 0.000) 0.000 4.532 ( 0.000 0.000 -0.000) 0.000 4.532 ( 0.000 0.000 0.000) 0.000 4.688 ( 0.000 0.000 0.000) 0.000 4.688 ( 0.000 0.000 0.000) 0.000 8.238 ( 0.000 0.000 -0.000) 0.000 8.238 ( 0.000 0.000 0.000) 0.000 8.242 ( -0.000 0.000 0.000) 0.000 8.242 ( 0.000 0.000 0.000) 0.000 8.685 ( 0.000 0.000 0.000) 0.000 8.685 ( 0.000 0.000 0.000) 0.000 8.805 ( 0.000 0.000 0.000) 0.000 8.805 ( 0.000 0.000 0.000) 0.000 10.545 ( -0.000 0.000 0.000) 0.000 10.545 ( 0.000 0.000 0.000) 0.000 10.553 ( -0.000 0.000 -0.000) 0.000 10.553 ( 0.000 0.000 0.000) 0.000 10.813 ( 0.000 0.000 0.000) 0.000 10.813 ( 0.000 0.000 0.000) 0.000 10.891 ( 0.000 0.000 0.000) 0.000 10.891 ( 0.000 0.000 0.000) 0.000 11.275 ( 0.000 0.000 0.000) 0.000 11.275 ( 0.000 0.000 0.000) 0.000 11.352 ( 0.000 0.000 0.000) 0.000 11.352 ( 0.000 0.000 0.000) 0.000 14.532 ( -0.000 0.000 0.000) 0.000 14.532 ( 0.000 0.000 0.000) 0.000 14.556 ( 0.000 0.000 0.000) 0.000 14.556 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 140 (45/60) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 0.000 9.281 -2.077) 9.510 1.090 ( 0.000 9.281 2.077) 9.510 1.114 ( 0.000 11.532 -1.261) 11.600 1.114 ( 0.000 11.532 1.261) 11.600 1.816 ( 0.000 10.282 -27.171) 29.052 1.816 ( 0.000 10.282 27.171) 29.052 1.959 ( 0.000 -2.259 -2.889) 3.667 1.959 ( 0.000 -2.259 2.889) 3.667 2.049 ( 0.000 0.938 -2.431) 2.606 2.049 ( 0.000 0.938 2.431) 2.606 2.101 ( 0.000 1.770 -8.363) 8.548 2.101 ( 0.000 1.770 8.363) 8.548 2.188 ( 0.000 2.270 -0.006) 2.270 2.188 ( 0.000 2.270 0.006) 2.270 2.269 ( 0.000 1.813 -1.704) 2.488 2.269 ( 0.000 1.813 1.704) 2.488 2.307 ( 0.000 1.142 -0.689) 1.334 2.307 ( 0.000 1.142 0.689) 1.334 2.377 ( 0.000 3.515 -1.181) 3.708 2.377 ( 0.000 3.515 1.181) 3.708 2.459 ( 0.000 -3.242 -0.368) 3.263 2.459 ( 0.000 -3.242 0.368) 3.263 2.867 ( 0.000 -6.739 -5.866) 8.934 2.867 ( 0.000 -6.739 5.866) 8.934 3.254 ( 0.000 5.051 -3.905) 6.384 3.254 ( 0.000 5.051 3.905) 6.384 3.537 ( 0.000 -0.850 -1.402) 1.639 3.537 ( 0.000 -0.850 1.402) 1.639 3.628 ( 0.000 1.794 -1.336) 2.237 3.628 ( 0.000 1.794 1.336) 2.237 3.689 ( 0.000 4.115 -0.304) 4.126 3.689 ( 0.000 4.115 0.304) 4.126 3.758 ( 0.000 -0.025 -1.702) 1.702 3.758 ( 0.000 -0.025 1.702) 1.702 3.787 ( 0.000 0.917 -1.161) 1.479 3.787 ( 0.000 0.917 1.161) 1.479 4.339 ( 0.000 -0.943 -2.149) 2.347 4.339 ( 0.000 -0.943 2.149) 2.347 4.357 ( 0.000 0.491 -1.642) 1.714 4.357 ( 0.000 0.491 1.642) 1.714 4.406 ( 0.000 -0.960 -2.148) 2.353 4.406 ( 0.000 -0.960 2.148) 2.353 4.483 ( 0.000 -1.701 -0.117) 1.705 4.483 ( 0.000 -1.701 0.117) 1.705 4.563 ( 0.000 2.786 -1.061) 2.981 4.563 ( 0.000 2.786 1.061) 2.981 4.763 ( 0.000 -5.041 -6.440) 8.178 4.763 ( 0.000 -5.041 6.440) 8.178 8.221 ( 0.000 0.196 -1.567) 1.579 8.221 ( 0.000 0.196 1.567) 1.579 8.263 ( 0.000 0.012 -0.963) 0.964 8.263 ( 0.000 0.012 0.963) 0.964 8.697 ( 0.000 0.452 -0.456) 0.642 8.697 ( 0.000 0.452 0.456) 0.642 8.773 ( 0.000 0.255 -0.832) 0.870 8.773 ( 0.000 0.255 0.832) 0.870 10.510 ( 0.000 0.070 -0.470) 0.475 10.510 ( 0.000 0.070 0.470) 0.475 10.637 ( 0.000 -0.284 -0.678) 0.735 10.637 ( 0.000 -0.284 0.678) 0.735 10.837 ( 0.000 0.895 -0.929) 1.290 10.837 ( 0.000 0.895 0.929) 1.290 10.892 ( 0.000 0.619 -0.726) 0.954 10.892 ( 0.000 0.619 0.726) 0.954 11.288 ( 0.000 0.233 -1.388) 1.408 11.288 ( 0.000 0.233 1.388) 1.408 11.335 ( 0.000 -0.248 -0.366) 0.442 11.335 ( 0.000 -0.248 0.366) 0.442 14.508 ( 0.000 0.637 -1.755) 1.867 14.508 ( 0.000 0.637 1.755) 1.867 14.578 ( 0.000 0.124 -0.527) 0.541 14.578 ( 0.000 0.124 0.527) 0.541 ======================= Grid point 142 (46/60) ======================= q-point: ( 0.17 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -0.028 6.931 -16.291) 17.704 1.080 ( -0.028 6.931 16.291) 17.704 1.184 ( 7.460 13.252 -13.882) 20.591 1.184 ( 7.460 13.252 13.882) 20.591 1.835 ( -3.714 0.061 -8.526) 9.299 1.835 ( -3.714 0.061 8.526) 9.299 1.934 ( 0.311 4.308 -8.772) 9.778 1.934 ( 0.311 4.308 8.772) 9.778 2.018 ( -5.235 3.760 -3.956) 7.563 2.018 ( -5.235 3.760 3.956) 7.563 2.100 ( 3.854 2.906 -10.167) 11.255 2.100 ( 3.854 2.906 10.167) 11.255 2.195 ( 0.508 1.278 -2.457) 2.816 2.195 ( 0.508 1.278 2.457) 2.816 2.243 ( -1.527 -0.354 -2.768) 3.181 2.243 ( -1.527 -0.354 2.768) 3.181 2.333 ( 1.615 2.047 -0.384) 2.635 2.333 ( 1.615 2.047 0.384) 2.635 2.396 ( 2.082 2.772 -1.430) 3.750 2.396 ( 2.082 2.772 1.430) 3.750 2.457 ( -0.178 -1.745 -1.784) 2.502 2.457 ( -0.178 -1.745 1.784) 2.502 2.887 ( 0.809 -5.481 -2.671) 6.151 2.887 ( 0.809 -5.481 2.671) 6.151 3.270 ( 2.005 3.116 -3.120) 4.844 3.270 ( 2.005 3.116 3.120) 4.844 3.528 ( -0.644 -1.287 -1.391) 2.002 3.528 ( -0.644 -1.287 1.391) 2.002 3.626 ( -0.013 1.652 -1.584) 2.289 3.626 ( -0.013 1.652 1.584) 2.289 3.674 ( -0.221 4.799 -0.941) 4.896 3.674 ( -0.221 4.799 0.941) 4.896 3.755 ( -0.947 0.769 -2.718) 2.979 3.755 ( -0.947 0.769 2.718) 2.979 3.847 ( 4.650 -0.148 -2.542) 5.302 3.847 ( 4.650 -0.148 2.542) 5.302 4.336 ( -0.291 -0.834 -1.892) 2.088 4.336 ( -0.291 -0.834 1.892) 2.088 4.362 ( 0.608 0.849 -1.385) 1.735 4.362 ( 0.608 0.849 1.385) 1.735 4.420 ( 1.102 -1.898 -0.817) 2.342 4.420 ( 1.102 -1.898 0.817) 2.342 4.478 ( -0.371 -1.249 -1.348) 1.875 4.478 ( -0.371 -1.249 1.348) 1.875 4.560 ( -0.430 2.748 -0.540) 2.834 4.560 ( -0.430 2.748 0.540) 2.834 4.731 ( -2.793 -4.422 -5.510) 7.598 4.731 ( -2.793 -4.422 5.510) 7.598 8.224 ( 0.245 0.237 -1.367) 1.409 8.224 ( 0.245 0.237 1.367) 1.409 8.262 ( -0.153 0.027 -0.866) 0.880 8.262 ( -0.153 0.027 0.866) 0.880 8.696 ( -0.103 0.603 -0.696) 0.926 8.696 ( -0.103 0.603 0.696) 0.926 8.782 ( 0.821 0.174 -0.710) 1.100 8.782 ( 0.821 0.174 0.710) 1.100 10.513 ( 0.337 0.162 -0.470) 0.601 10.513 ( 0.337 0.162 0.470) 0.601 10.623 ( -1.411 -0.147 -0.662) 1.566 10.623 ( -1.411 -0.147 0.662) 1.566 10.833 ( -0.338 0.927 -0.737) 1.231 10.833 ( -0.338 0.927 0.737) 1.231 10.893 ( 0.079 0.570 -0.584) 0.820 10.893 ( 0.079 0.570 0.584) 0.820 11.287 ( -0.199 0.262 -1.278) 1.320 11.287 ( -0.199 0.262 1.278) 1.320 11.337 ( 0.288 -0.211 -0.418) 0.549 11.337 ( 0.288 -0.211 0.418) 0.549 14.513 ( 0.552 0.611 -1.557) 1.761 14.513 ( 0.552 0.611 1.557) 1.761 14.575 ( -0.322 0.159 -0.487) 0.605 14.575 ( -0.322 0.159 0.487) 0.605 ======================= Grid point 144 (47/60) ======================= q-point: ( 0.33 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 6.467 4.427 -11.592) 13.993 1.139 ( 6.467 4.427 11.592) 13.993 1.360 ( 10.082 12.853 -9.283) 18.789 1.360 ( 10.082 12.853 9.283) 18.789 1.668 ( -10.732 -2.180 -0.630) 10.970 1.668 ( -10.732 -2.180 0.630) 10.970 1.871 ( -9.039 5.533 -4.720) 11.601 1.871 ( -9.039 5.533 4.720) 11.601 1.966 ( 1.372 1.832 -5.743) 6.182 1.966 ( 1.372 1.832 5.743) 6.182 2.154 ( -0.680 1.604 -3.974) 4.340 2.154 ( -0.680 1.604 3.974) 4.340 2.209 ( 0.369 2.919 -2.401) 3.797 2.209 ( 0.369 2.919 2.401) 3.797 2.284 ( 6.213 -0.670 -7.660) 9.886 2.284 ( 6.213 -0.670 7.660) 9.886 2.355 ( 0.867 3.119 -0.370) 3.258 2.355 ( 0.867 3.119 0.370) 3.258 2.432 ( -0.955 -1.133 -2.382) 2.805 2.432 ( -0.955 -1.133 2.382) 2.805 2.486 ( 6.635 2.072 -5.997) 9.180 2.486 ( 6.635 2.072 5.997) 9.180 2.847 ( -5.574 -2.068 -4.723) 7.593 2.847 ( -5.574 -2.068 4.723) 7.593 3.334 ( 4.222 -0.016 -2.100) 4.716 3.334 ( 4.222 -0.016 2.100) 4.716 3.519 ( -0.510 -1.306 -0.344) 1.443 3.519 ( -0.510 -1.306 0.344) 1.443 3.640 ( 1.555 1.689 -1.034) 2.518 3.640 ( 1.555 1.689 1.034) 2.518 3.682 ( 0.791 4.699 -1.147) 4.901 3.682 ( 0.791 4.699 1.147) 4.901 3.727 ( -1.953 1.652 -2.146) 3.339 3.727 ( -1.953 1.652 2.146) 3.339 3.910 ( 1.664 -1.328 -2.520) 3.299 3.910 ( 1.664 -1.328 2.520) 3.299 4.334 ( 0.148 -0.660 -1.076) 1.271 4.334 ( 0.148 -0.660 1.076) 1.271 4.374 ( 0.319 0.006 -1.154) 1.198 4.374 ( 0.319 0.006 1.154) 1.198 4.423 ( -0.743 -1.806 -1.820) 2.670 4.423 ( -0.743 -1.806 1.820) 2.670 4.483 ( 0.902 -0.556 -0.410) 1.136 4.483 ( 0.902 -0.556 0.410) 1.136 4.547 ( -0.752 1.760 -0.844) 2.092 4.547 ( -0.752 1.760 0.844) 2.092 4.686 ( -1.660 -2.735 -3.556) 4.783 4.686 ( -1.660 -2.735 3.556) 4.783 8.231 ( 0.513 0.306 -0.876) 1.060 8.231 ( 0.513 0.306 0.876) 1.060 8.255 ( -0.553 0.138 -0.570) 0.806 8.255 ( -0.553 0.138 0.570) 0.806 8.694 ( -0.031 0.858 -0.566) 1.028 8.694 ( -0.031 0.858 0.566) 1.028 8.798 ( 0.743 0.044 -0.374) 0.833 8.798 ( 0.743 0.044 0.374) 0.833 10.525 ( 1.019 0.294 -0.316) 1.106 10.525 ( 1.019 0.294 0.316) 1.106 10.589 ( -2.046 0.118 -0.520) 2.114 10.589 ( -2.046 0.118 0.520) 2.114 10.826 ( -0.313 0.991 -0.363) 1.101 10.826 ( -0.313 0.991 0.363) 1.101 10.895 ( 0.068 0.489 -0.295) 0.575 10.895 ( 0.068 0.489 0.295) 0.575 11.282 ( -0.251 0.357 -0.749) 0.866 11.282 ( -0.251 0.357 0.749) 0.866 11.345 ( 0.420 -0.216 -0.232) 0.526 11.345 ( 0.420 -0.216 0.232) 0.526 14.527 ( 0.788 0.540 -1.043) 1.415 14.527 ( 0.788 0.540 1.043) 1.415 14.566 ( -0.543 0.238 -0.415) 0.724 14.566 ( -0.543 0.238 0.415) 0.724 ======================= Grid point 146 (48/60) ======================= q-point: (-0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -0.000 1.730 -0.000) 1.730 1.251 ( 0.000 1.730 0.000) 1.730 1.440 ( -0.000 7.768 0.000) 7.768 1.440 ( -0.000 7.768 0.000) 7.768 1.583 ( -0.000 5.903 -0.000) 5.903 1.583 ( -0.000 5.903 0.000) 5.903 1.735 ( 0.000 4.675 -0.000) 4.675 1.735 ( 0.000 4.675 0.000) 4.675 1.982 ( 0.000 -0.083 -0.000) 0.083 1.982 ( 0.000 -0.083 0.000) 0.083 2.142 ( 0.000 1.538 0.000) 1.538 2.142 ( 0.000 1.538 0.000) 1.538 2.211 ( 0.000 2.594 -0.000) 2.594 2.211 ( 0.000 2.594 0.000) 2.594 2.347 ( -0.000 -0.881 0.000) 0.881 2.347 ( -0.000 -0.881 0.000) 0.881 2.384 ( -0.000 3.360 -0.000) 3.360 2.384 ( 0.000 3.360 0.000) 3.360 2.395 ( 0.000 -0.750 -0.000) 0.750 2.395 ( 0.000 -0.750 0.000) 0.750 2.622 ( -0.000 0.452 -0.000) 0.452 2.622 ( -0.000 0.452 0.000) 0.452 2.730 ( 0.000 0.936 -0.000) 0.936 2.730 ( 0.000 0.936 0.000) 0.936 3.384 ( -0.000 -0.917 0.000) 0.917 3.384 ( -0.000 -0.917 0.000) 0.917 3.510 ( 0.000 -1.331 0.000) 1.331 3.510 ( 0.000 -1.331 0.000) 1.331 3.668 ( -0.000 1.039 0.000) 1.039 3.668 ( 0.000 1.039 0.000) 1.039 3.693 ( -0.000 2.809 -0.000) 2.809 3.693 ( 0.000 2.809 -0.000) 2.809 3.696 ( -0.000 4.402 0.000) 4.402 3.696 ( 0.000 4.402 0.000) 4.402 3.921 ( 0.000 -1.749 0.000) 1.749 3.921 ( 0.000 -1.749 0.000) 1.749 4.338 ( 0.000 -0.846 0.000) 0.846 4.338 ( -0.000 -0.846 0.000) 0.846 4.373 ( 0.000 -1.032 0.000) 1.032 4.373 ( 0.000 -1.032 0.000) 1.032 4.415 ( 0.000 -0.627 0.000) 0.627 4.415 ( 0.000 -0.627 0.000) 0.627 4.494 ( 0.000 -0.396 0.000) 0.396 4.494 ( 0.000 -0.396 0.000) 0.396 4.539 ( 0.000 0.689 0.000) 0.689 4.539 ( 0.000 0.689 0.000) 0.689 4.671 ( 0.000 -1.570 -0.000) 1.570 4.671 ( 0.000 -1.570 0.000) 1.570 8.241 ( -0.000 0.347 -0.000) 0.347 8.241 ( 0.000 0.347 0.000) 0.347 8.244 ( -0.000 0.207 0.000) 0.207 8.244 ( 0.000 0.207 0.000) 0.207 8.694 ( -0.000 0.971 0.000) 0.971 8.694 ( 0.000 0.971 0.000) 0.971 8.805 ( 0.000 -0.013 0.000) 0.013 8.805 ( 0.000 -0.013 0.000) 0.013 10.548 ( -0.000 0.295 0.000) 0.295 10.548 ( 0.000 0.295 0.000) 0.295 10.556 ( -0.000 0.293 -0.000) 0.293 10.556 ( 0.000 0.293 0.000) 0.293 10.823 ( 0.000 1.024 0.000) 1.024 10.823 ( 0.000 1.024 0.000) 1.024 10.895 ( 0.000 0.455 0.000) 0.455 10.895 ( -0.000 0.455 0.000) 0.455 11.279 ( 0.000 0.406 0.000) 0.406 11.279 ( 0.000 0.406 0.000) 0.406 11.349 ( 0.000 -0.233 0.000) 0.233 11.349 ( 0.000 -0.233 0.000) 0.233 14.537 ( 0.000 0.488 -0.000) 0.488 14.537 ( 0.000 0.488 0.000) 0.488 14.559 ( -0.000 0.291 -0.000) 0.291 14.559 ( -0.000 0.291 0.000) 0.291 ======================= Grid point 154 (49/60) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 0.000 10.005 -10.647) 14.610 1.261 ( 0.000 10.005 10.647) 14.610 1.377 ( 0.000 13.362 -11.666) 17.738 1.377 ( 0.000 13.362 11.666) 17.738 1.898 ( 0.000 -3.249 -3.705) 4.927 1.898 ( 0.000 -3.249 3.705) 4.927 2.005 ( 0.000 2.792 -1.226) 3.049 2.005 ( 0.000 2.792 1.226) 3.049 2.115 ( 0.000 -0.312 -4.271) 4.282 2.115 ( 0.000 -0.312 4.271) 4.282 2.146 ( 0.000 13.492 -15.634) 20.650 2.146 ( 0.000 13.492 15.634) 20.650 2.260 ( 0.000 1.942 -1.072) 2.218 2.260 ( 0.000 1.942 1.072) 2.218 2.281 ( 0.000 0.135 -1.944) 1.949 2.281 ( 0.000 0.135 1.944) 1.949 2.308 ( 0.000 0.185 -3.231) 3.237 2.308 ( 0.000 0.185 3.231) 3.237 2.407 ( 0.000 -0.083 -1.158) 1.161 2.407 ( 0.000 -0.083 1.158) 1.161 2.471 ( 0.000 4.161 -1.523) 4.431 2.471 ( 0.000 4.161 1.523) 4.431 2.770 ( 0.000 -2.249 -5.447) 5.893 2.770 ( 0.000 -2.249 5.447) 5.893 3.326 ( 0.000 2.397 -3.450) 4.201 3.326 ( 0.000 2.397 3.450) 4.201 3.497 ( 0.000 -2.737 -3.933) 4.791 3.497 ( 0.000 -2.737 3.933) 4.791 3.654 ( 0.000 0.282 -1.976) 1.996 3.654 ( 0.000 0.282 1.976) 1.996 3.771 ( 0.000 1.165 -1.558) 1.946 3.771 ( 0.000 1.165 1.558) 1.946 3.791 ( 0.000 5.127 -1.554) 5.357 3.791 ( 0.000 5.127 1.554) 5.357 3.806 ( 0.000 1.842 -0.001) 1.842 3.806 ( 0.000 1.842 0.001) 1.842 4.324 ( 0.000 -0.392 -1.693) 1.738 4.324 ( 0.000 -0.392 1.693) 1.738 4.361 ( 0.000 -3.442 -1.178) 3.638 4.361 ( 0.000 -3.442 1.178) 3.638 4.387 ( 0.000 2.314 -0.103) 2.316 4.387 ( 0.000 2.314 0.103) 2.316 4.457 ( 0.000 -0.867 -0.311) 0.921 4.457 ( 0.000 -0.867 0.311) 0.921 4.601 ( 0.000 0.583 -3.097) 3.152 4.601 ( 0.000 0.583 3.097) 3.152 4.659 ( 0.000 -4.965 -3.008) 5.805 4.659 ( 0.000 -4.965 3.008) 5.805 8.226 ( 0.000 0.280 -1.233) 1.265 8.226 ( 0.000 0.280 1.233) 1.265 8.263 ( 0.000 0.048 -0.714) 0.716 8.263 ( 0.000 0.048 0.714) 0.716 8.708 ( 0.000 0.666 -0.443) 0.800 8.708 ( 0.000 0.666 0.443) 0.800 8.778 ( 0.000 0.254 -0.727) 0.770 8.778 ( 0.000 0.254 0.727) 0.770 10.513 ( 0.000 0.255 -0.524) 0.583 10.513 ( 0.000 0.255 0.524) 0.583 10.633 ( 0.000 -0.162 -0.573) 0.595 10.633 ( 0.000 -0.162 0.573) 0.595 10.859 ( 0.000 1.331 -0.736) 1.521 10.859 ( 0.000 1.331 0.736) 1.521 10.905 ( 0.000 0.575 -0.535) 0.786 10.905 ( 0.000 0.575 0.535) 0.786 11.294 ( 0.000 0.362 -1.179) 1.234 11.294 ( 0.000 0.362 1.179) 1.234 11.329 ( 0.000 -0.362 -0.166) 0.399 11.329 ( 0.000 -0.362 0.166) 0.399 14.524 ( 0.000 0.936 -1.323) 1.620 14.524 ( 0.000 0.936 1.323) 1.620 14.581 ( 0.000 0.157 -0.448) 0.475 14.581 ( 0.000 0.157 0.448) 0.475 ======================= Grid point 156 (50/60) ======================= q-point: ( 0.17 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -0.534 10.442 -11.241) 15.352 1.250 ( -0.534 10.442 11.241) 15.352 1.435 ( 6.105 12.090 -12.059) 18.134 1.435 ( 6.105 12.090 12.059) 18.134 1.810 ( -7.477 -1.606 -1.983) 7.901 1.810 ( -7.477 -1.606 1.983) 7.901 2.012 ( -0.314 0.955 -3.518) 3.659 2.012 ( -0.314 0.955 3.518) 3.659 2.081 ( -3.463 1.891 -1.470) 4.210 2.081 ( -3.463 1.891 1.470) 4.210 2.190 ( -1.690 2.427 -4.993) 5.803 2.190 ( -1.690 2.427 4.993) 5.803 2.226 ( 2.479 4.897 -9.773) 11.208 2.226 ( 2.479 4.897 9.773) 11.208 2.285 ( 0.674 5.869 -4.597) 7.486 2.285 ( 0.674 5.869 4.597) 7.486 2.335 ( 1.834 -2.009 -0.379) 2.746 2.335 ( 1.834 -2.009 0.379) 2.746 2.410 ( 1.642 1.759 -1.709) 2.951 2.410 ( 1.642 1.759 1.709) 2.951 2.515 ( 2.938 5.468 -2.178) 6.579 2.515 ( 2.938 5.468 2.178) 6.579 2.791 ( 1.765 -3.502 -3.526) 5.274 2.791 ( 1.765 -3.502 3.526) 5.274 3.318 ( -0.386 1.823 -2.778) 3.346 3.318 ( -0.386 1.823 2.778) 3.346 3.491 ( -0.343 -2.197 -2.920) 3.670 3.491 ( -0.343 -2.197 2.920) 3.670 3.651 ( 0.145 0.250 -1.519) 1.547 3.651 ( 0.145 0.250 1.519) 1.547 3.777 ( 0.242 4.762 -1.123) 4.898 3.777 ( 0.242 4.762 1.123) 4.898 3.792 ( -0.142 3.730 -1.597) 4.060 3.792 ( -0.142 3.730 1.597) 4.060 3.836 ( 2.761 -0.940 -1.918) 3.491 3.836 ( 2.761 -0.940 1.918) 3.491 4.325 ( 0.086 -0.260 -1.726) 1.748 4.325 ( 0.086 -0.260 1.726) 1.748 4.364 ( -0.076 -3.395 -1.651) 3.776 4.364 ( -0.076 -3.395 1.651) 3.776 4.395 ( 0.728 2.081 -0.617) 2.289 4.395 ( 0.728 2.081 0.617) 2.289 4.459 ( 0.357 -0.817 -0.365) 0.963 4.459 ( 0.357 -0.817 0.365) 0.963 4.590 ( -1.382 -0.382 -2.678) 3.037 4.590 ( -1.382 -0.382 2.678) 3.037 4.647 ( -0.821 -3.351 -1.788) 3.886 4.647 ( -0.821 -3.351 1.788) 3.886 8.229 ( 0.336 0.338 -1.080) 1.180 8.229 ( 0.336 0.338 1.080) 1.180 8.263 ( -0.077 0.085 -0.614) 0.624 8.263 ( -0.077 0.085 0.614) 0.624 8.710 ( 0.243 0.905 -0.671) 1.153 8.710 ( 0.243 0.905 0.671) 1.153 8.784 ( 0.627 0.103 -0.710) 0.953 8.784 ( 0.627 0.103 0.710) 0.953 10.517 ( 0.495 0.339 -0.476) 0.766 10.517 ( 0.495 0.339 0.476) 0.766 10.621 ( -1.159 -0.035 -0.553) 1.284 10.621 ( -1.159 -0.035 0.553) 1.284 10.856 ( -0.248 1.399 -0.590) 1.538 10.856 ( -0.248 1.399 0.590) 1.538 10.905 ( 0.007 0.541 -0.443) 0.699 10.905 ( 0.007 0.541 0.443) 0.699 11.294 ( -0.090 0.434 -1.092) 1.179 11.294 ( -0.090 0.434 1.092) 1.179 11.332 ( 0.302 -0.356 -0.287) 0.548 11.332 ( 0.302 -0.356 0.287) 0.548 14.528 ( 0.483 0.895 -1.171) 1.550 14.528 ( 0.483 0.895 1.171) 1.550 14.578 ( -0.241 0.204 -0.403) 0.511 14.578 ( -0.241 0.204 0.403) 0.511 ======================= Grid point 158 (51/60) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 2.742 8.619 -8.458) 12.383 1.268 ( 2.742 8.619 8.458) 12.383 1.583 ( 7.431 6.919 -9.986) 14.242 1.583 ( 7.431 6.919 9.986) 14.242 1.658 ( -6.300 3.587 -3.595) 8.092 1.658 ( -6.300 3.587 3.595) 8.092 1.965 ( -6.527 3.192 -6.741) 9.911 1.965 ( -6.527 3.192 6.741) 9.911 2.010 ( -1.826 3.102 -1.692) 3.977 2.010 ( -1.826 3.102 1.692) 3.977 2.153 ( -0.870 -1.238 -2.664) 3.064 2.153 ( -0.870 -1.238 2.664) 3.064 2.241 ( -0.789 -1.182 -2.290) 2.695 2.241 ( -0.789 -1.182 2.290) 2.695 2.307 ( 0.377 0.935 -3.322) 3.472 2.307 ( 0.377 0.935 3.322) 3.472 2.382 ( 2.924 2.482 -1.288) 4.046 2.382 ( 2.924 2.482 1.288) 4.046 2.468 ( 2.337 4.449 -2.505) 5.615 2.468 ( 2.337 4.449 2.505) 5.615 2.578 ( 5.196 7.663 -6.082) 11.077 2.578 ( 5.196 7.663 6.082) 11.077 2.805 ( -1.180 -1.906 -1.637) 2.776 2.805 ( -1.180 -1.906 1.637) 2.776 3.328 ( 1.570 -0.403 -1.948) 2.534 3.328 ( 1.570 -0.403 1.948) 2.534 3.486 ( -0.448 -2.032 -1.048) 2.330 3.486 ( -0.448 -2.032 1.048) 2.330 3.666 ( 1.295 0.555 -1.081) 1.776 3.666 ( 1.295 0.555 1.081) 1.776 3.774 ( -0.543 4.150 -0.777) 4.257 3.774 ( -0.543 4.150 0.777) 4.257 3.793 ( 0.247 5.385 -0.637) 5.429 3.793 ( 0.247 5.385 0.637) 5.429 3.872 ( 0.695 -2.678 -2.206) 3.539 3.872 ( 0.695 -2.678 2.206) 3.539 4.327 ( 0.095 -0.133 -1.380) 1.390 4.327 ( 0.095 -0.133 1.380) 1.390 4.355 ( -0.761 -2.368 -1.215) 2.768 4.355 ( -0.761 -2.368 1.215) 2.768 4.403 ( 0.190 0.652 -0.684) 0.964 4.403 ( 0.190 0.652 0.684) 0.964 4.475 ( 1.056 -0.351 -0.615) 1.271 4.475 ( 1.056 -0.351 0.615) 1.271 4.558 ( -1.394 -0.736 -1.413) 2.117 4.558 ( -1.394 -0.736 1.413) 2.117 4.639 ( -0.144 -1.914 -1.418) 2.387 4.639 ( -0.144 -1.914 1.418) 2.387 8.238 ( 0.567 0.430 -0.699) 0.997 8.238 ( 0.567 0.430 0.699) 0.997 8.259 ( -0.374 0.238 -0.409) 0.603 8.259 ( -0.374 0.238 0.409) 0.603 8.716 ( 0.263 1.333 -0.562) 1.470 8.716 ( 0.263 1.333 0.562) 1.470 8.797 ( 0.589 -0.148 -0.443) 0.752 8.797 ( 0.589 -0.148 0.443) 0.752 10.532 ( 1.111 0.473 -0.297) 1.244 10.532 ( 1.111 0.473 0.297) 1.244 10.593 ( -1.764 0.243 -0.421) 1.830 10.593 ( -1.764 0.243 0.421) 1.830 10.851 ( -0.230 1.520 -0.294) 1.565 10.851 ( -0.230 1.520 0.294) 1.565 10.905 ( 0.006 0.479 -0.236) 0.534 10.905 ( 0.006 0.479 0.236) 0.534 11.291 ( -0.122 0.608 -0.650) 0.898 11.291 ( -0.122 0.608 0.650) 0.898 11.339 ( 0.375 -0.408 -0.191) 0.586 11.339 ( 0.375 -0.408 0.191) 0.586 14.540 ( 0.687 0.793 -0.787) 1.312 14.540 ( 0.687 0.793 0.787) 1.312 14.572 ( -0.439 0.312 -0.331) 0.632 14.572 ( -0.439 0.312 0.331) 0.632 ======================= Grid point 160 (52/60) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -0.000 5.266 -0.000) 5.266 1.318 ( 0.000 5.266 0.000) 5.266 1.536 ( 0.000 3.006 0.000) 3.006 1.536 ( 0.000 3.006 0.000) 3.006 1.766 ( -0.000 10.380 -0.000) 10.380 1.766 ( -0.000 10.380 0.000) 10.380 1.824 ( 0.000 4.589 -0.000) 4.589 1.824 ( 0.000 4.589 0.000) 4.589 1.997 ( 0.000 2.205 -0.000) 2.205 1.997 ( 0.000 2.205 0.000) 2.205 2.149 ( 0.000 -1.661 0.000) 1.661 2.149 ( 0.000 -1.661 0.000) 1.661 2.230 ( -0.000 -1.546 0.000) 1.546 2.230 ( 0.000 -1.546 0.000) 1.546 2.307 ( 0.000 -2.173 -0.000) 2.173 2.307 ( 0.000 -2.173 0.000) 2.173 2.418 ( -0.000 3.936 -0.000) 3.936 2.418 ( 0.000 3.936 0.000) 3.936 2.476 ( 0.000 4.571 -0.000) 4.571 2.476 ( 0.000 4.571 0.000) 4.571 2.673 ( -0.000 5.257 -0.000) 5.257 2.673 ( -0.000 5.257 0.000) 5.257 2.760 ( 0.000 2.237 -0.000) 2.237 2.760 ( 0.000 2.237 0.000) 2.237 3.353 ( 0.000 -2.117 -0.000) 2.117 3.353 ( -0.000 -2.117 0.000) 2.117 3.477 ( 0.000 -2.156 0.000) 2.156 3.477 ( 0.000 -2.156 0.000) 2.156 3.684 ( 0.000 0.631 0.000) 0.631 3.684 ( 0.000 0.631 0.000) 0.631 3.766 ( 0.000 4.465 0.000) 4.465 3.766 ( 0.000 4.465 0.000) 4.465 3.797 ( 0.000 5.444 0.000) 5.444 3.797 ( 0.000 5.444 0.000) 5.444 3.873 ( -0.000 -3.099 0.000) 3.099 3.873 ( 0.000 -3.099 0.000) 3.099 4.329 ( -0.000 0.065 -0.000) 0.065 4.329 ( -0.000 0.065 0.000) 0.065 4.344 ( 0.000 -1.978 0.000) 1.978 4.344 ( 0.000 -1.978 0.000) 1.978 4.406 ( 0.000 0.128 0.000) 0.128 4.406 ( 0.000 0.128 0.000) 0.128 4.484 ( 0.000 -0.443 0.000) 0.443 4.484 ( 0.000 -0.443 0.000) 0.443 4.547 ( 0.000 -0.095 0.000) 0.095 4.547 ( 0.000 -0.095 0.000) 0.095 4.638 ( 0.000 -1.913 -0.000) 1.913 4.638 ( -0.000 -1.913 0.000) 1.913 8.249 ( -0.000 0.468 -0.000) 0.468 8.249 ( -0.000 0.468 0.000) 0.468 8.250 ( 0.000 0.344 -0.000) 0.344 8.250 ( 0.000 0.344 0.000) 0.344 8.718 ( -0.000 1.528 0.000) 1.528 8.718 ( 0.000 1.528 0.000) 1.528 8.803 ( 0.000 -0.258 0.000) 0.258 8.803 ( 0.000 -0.258 0.000) 0.258 10.555 ( -0.000 0.503 0.000) 0.503 10.555 ( 0.000 0.503 0.000) 0.503 10.563 ( -0.000 0.415 0.000) 0.415 10.563 ( 0.000 0.415 0.000) 0.415 10.849 ( 0.000 1.574 0.000) 1.574 10.849 ( 0.000 1.574 0.000) 1.574 10.905 ( 0.000 0.450 0.000) 0.450 10.905 ( -0.000 0.450 0.000) 0.450 11.290 ( 0.000 0.696 0.000) 0.696 11.290 ( 0.000 0.696 0.000) 0.696 11.343 ( 0.000 -0.447 0.000) 0.447 11.343 ( 0.000 -0.447 0.000) 0.447 14.549 ( 0.000 0.732 -0.000) 0.732 14.549 ( 0.000 0.732 0.000) 0.732 14.566 ( -0.000 0.375 -0.000) 0.375 14.566 ( -0.000 0.375 0.000) 0.375 ======================= Grid point 168 (53/60) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 0.000 8.610 -5.315) 10.118 1.444 ( 0.000 8.610 5.315) 10.118 1.597 ( 0.000 9.749 -7.520) 12.312 1.597 ( 0.000 9.749 7.520) 12.312 1.839 ( 0.000 -2.727 -3.523) 4.455 1.839 ( 0.000 -2.727 3.523) 4.455 2.014 ( 0.000 -1.112 -4.173) 4.318 2.014 ( 0.000 -1.112 4.173) 4.318 2.100 ( 0.000 -0.433 -1.249) 1.322 2.100 ( 0.000 -0.433 1.249) 1.322 2.177 ( 0.000 -5.341 -1.673) 5.597 2.177 ( 0.000 -5.341 1.673) 5.597 2.272 ( 0.000 -0.613 -3.075) 3.135 2.272 ( 0.000 -0.613 3.075) 3.135 2.329 ( 0.000 2.107 -4.092) 4.603 2.329 ( 0.000 2.107 4.092) 4.603 2.350 ( 0.000 2.342 -0.669) 2.436 2.350 ( 0.000 2.342 0.669) 2.436 2.466 ( 0.000 -1.011 -0.775) 1.274 2.466 ( 0.000 -1.011 0.775) 1.274 2.585 ( 0.000 13.199 -5.014) 14.119 2.585 ( 0.000 13.199 5.014) 14.119 2.791 ( 0.000 2.961 -0.603) 3.021 2.791 ( 0.000 2.961 0.603) 3.021 3.358 ( 0.000 1.495 -2.610) 3.008 3.358 ( 0.000 1.495 2.610) 3.008 3.455 ( 0.000 -1.649 -3.658) 4.012 3.455 ( 0.000 -1.649 3.658) 4.012 3.624 ( 0.000 -3.281 -3.596) 4.868 3.624 ( 0.000 -3.281 3.596) 4.868 3.772 ( 0.000 -0.536 -0.285) 0.608 3.772 ( 0.000 -0.536 0.285) 0.608 3.849 ( 0.000 2.715 -1.528) 3.116 3.849 ( 0.000 2.715 1.528) 3.116 3.885 ( 0.000 3.584 -0.842) 3.682 3.885 ( 0.000 3.584 0.842) 3.682 4.289 ( 0.000 -3.377 -1.228) 3.594 4.289 ( 0.000 -3.377 1.228) 3.594 4.324 ( 0.000 0.163 -1.153) 1.164 4.324 ( 0.000 0.163 1.153) 1.164 4.434 ( 0.000 0.840 -0.451) 0.953 4.434 ( 0.000 0.840 0.451) 0.953 4.457 ( 0.000 2.159 -0.049) 2.160 4.457 ( 0.000 2.159 0.049) 2.160 4.556 ( 0.000 -3.365 -3.272) 4.693 4.556 ( 0.000 -3.365 3.272) 4.693 4.619 ( 0.000 -0.999 -0.251) 1.030 4.619 ( 0.000 -0.999 0.251) 1.030 8.231 ( 0.000 0.198 -0.683) 0.711 8.231 ( 0.000 0.198 0.683) 0.711 8.264 ( 0.000 0.045 -0.370) 0.373 8.264 ( 0.000 0.045 0.370) 0.373 8.720 ( 0.000 0.499 -0.312) 0.588 8.720 ( 0.000 0.499 0.312) 0.588 8.781 ( 0.000 0.122 -0.474) 0.489 8.781 ( 0.000 0.122 0.474) 0.489 10.518 ( 0.000 0.252 -0.350) 0.432 10.518 ( 0.000 0.252 0.350) 0.432 10.631 ( 0.000 -0.034 -0.378) 0.379 10.631 ( 0.000 -0.034 0.378) 0.379 10.883 ( 0.000 1.146 -0.419) 1.220 10.883 ( 0.000 1.146 0.419) 1.220 10.911 ( 0.000 0.119 -0.290) 0.313 10.911 ( 0.000 0.119 0.290) 0.313 11.301 ( 0.000 0.332 -0.799) 0.866 11.301 ( 0.000 0.332 0.799) 0.866 11.322 ( 0.000 -0.328 -0.074) 0.337 11.322 ( 0.000 -0.328 0.074) 0.337 14.540 ( 0.000 0.706 -0.705) 0.998 14.540 ( 0.000 0.706 0.705) 0.998 14.583 ( 0.000 0.073 -0.262) 0.272 14.583 ( 0.000 0.073 0.262) 0.272 ======================= Grid point 170 (54/60) ======================= q-point: ( 0.17 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -0.381 8.980 -5.687) 10.636 1.442 ( -0.381 8.980 5.687) 10.636 1.614 ( 1.441 6.353 -8.169) 10.448 1.614 ( 1.441 6.353 8.169) 10.448 1.797 ( -3.127 0.635 -2.955) 4.349 1.797 ( -3.127 0.635 2.955) 4.349 2.006 ( -0.723 -1.122 -3.867) 4.091 2.006 ( -0.723 -1.122 3.867) 4.091 2.073 ( -2.180 -0.976 -2.148) 3.212 2.073 ( -2.180 -0.976 2.148) 3.212 2.169 ( -1.132 -4.387 -1.558) 4.791 2.169 ( -1.132 -4.387 1.558) 4.791 2.259 ( -1.946 1.088 -1.633) 2.764 2.259 ( -1.946 1.088 1.633) 2.764 2.319 ( -1.037 0.284 -2.833) 3.030 2.319 ( -1.037 0.284 2.833) 3.030 2.386 ( 3.048 2.398 -1.815) 4.282 2.386 ( 3.048 2.398 1.815) 4.282 2.487 ( 2.610 0.122 -2.057) 3.326 2.487 ( 2.610 0.122 2.057) 3.326 2.635 ( 4.767 10.002 -5.251) 12.261 2.635 ( 4.767 10.002 5.251) 12.261 2.796 ( 0.450 3.495 -0.798) 3.613 2.796 ( 0.450 3.495 0.798) 3.613 3.345 ( -1.064 1.489 -1.875) 2.620 3.345 ( -1.064 1.489 1.875) 2.620 3.452 ( -0.352 -2.161 -2.578) 3.382 3.452 ( -0.352 -2.161 2.578) 3.382 3.631 ( 1.043 -2.177 -2.928) 3.795 3.631 ( 1.043 -2.177 2.928) 3.795 3.796 ( 1.776 -1.691 -0.168) 2.458 3.796 ( 1.776 -1.691 0.168) 2.458 3.848 ( 0.004 2.881 -1.511) 3.253 3.848 ( 0.004 2.881 1.511) 3.253 3.883 ( -0.229 3.456 -0.912) 3.582 3.883 ( -0.229 3.456 0.912) 3.582 4.296 ( 0.635 -2.641 -0.836) 2.842 4.296 ( 0.635 -2.641 0.836) 2.842 4.328 ( 0.394 0.076 -0.732) 0.835 4.328 ( 0.394 0.076 0.732) 0.835 4.445 ( 0.512 -0.541 -0.593) 0.952 4.445 ( 0.512 -0.541 0.593) 0.952 4.450 ( -0.044 3.270 -0.365) 3.291 4.450 ( -0.044 3.270 0.365) 3.291 4.546 ( -0.898 -2.636 -2.550) 3.776 4.546 ( -0.898 -2.636 2.550) 3.776 4.615 ( -0.397 -1.336 -0.578) 1.509 4.615 ( -0.397 -1.336 0.578) 1.509 8.235 ( 0.428 0.240 -0.603) 0.778 8.235 ( 0.428 0.240 0.603) 0.778 8.265 ( 0.011 0.078 -0.312) 0.322 8.265 ( 0.011 0.078 0.312) 0.322 8.727 ( 0.685 0.723 -0.498) 1.114 8.727 ( 0.685 0.723 0.498) 1.114 8.785 ( 0.324 -0.046 -0.527) 0.621 8.785 ( 0.324 -0.046 0.527) 0.621 10.524 ( 0.607 0.296 -0.312) 0.744 10.524 ( 0.607 0.296 0.312) 0.744 10.622 ( -0.966 0.040 -0.350) 1.028 10.622 ( -0.966 0.040 0.350) 1.028 10.882 ( -0.106 1.243 -0.344) 1.294 10.882 ( -0.106 1.243 0.344) 1.294 10.911 ( -0.066 0.057 -0.248) 0.263 10.911 ( -0.066 0.057 0.248) 0.263 11.302 ( 0.095 0.450 -0.783) 0.908 11.302 ( 0.095 0.450 0.783) 0.908 11.325 ( 0.231 -0.396 -0.265) 0.529 11.325 ( 0.231 -0.396 0.265) 0.529 14.544 ( 0.409 0.675 -0.624) 1.007 14.544 ( 0.409 0.675 0.624) 1.007 14.582 ( -0.161 0.107 -0.233) 0.303 14.582 ( -0.161 0.107 0.233) 0.303 ======================= Grid point 172 (55/60) ======================= q-point: ( 0.33 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -0.256 8.071 -3.938) 8.984 1.433 ( -0.256 8.071 3.938) 8.984 1.606 ( -2.675 -0.575 -3.452) 4.405 1.606 ( -2.675 -0.575 3.452) 4.405 1.798 ( 3.980 7.188 -4.702) 9.466 1.798 ( 3.980 7.188 4.702) 9.466 1.996 ( -1.867 0.429 -3.582) 4.063 1.996 ( -1.867 0.429 3.582) 4.063 2.024 ( -1.326 -1.219 -1.651) 2.443 2.024 ( -1.326 -1.219 1.651) 2.443 2.148 ( -1.857 -3.143 -2.744) 4.567 2.148 ( -1.857 -3.143 2.744) 4.567 2.197 ( -2.832 0.920 -2.222) 3.716 2.197 ( -2.832 0.920 2.222) 3.716 2.292 ( -1.900 -1.206 -1.545) 2.730 2.292 ( -1.900 -1.206 1.545) 2.730 2.453 ( 3.926 3.241 -2.098) 5.507 2.453 ( 3.926 3.241 2.098) 5.507 2.538 ( 1.601 1.589 -1.038) 2.484 2.538 ( 1.601 1.589 1.038) 2.484 2.732 ( 4.760 6.276 -3.875) 8.779 2.732 ( 4.760 6.276 3.875) 8.779 2.807 ( 0.615 3.530 -1.315) 3.817 2.807 ( 0.615 3.530 1.315) 3.817 3.329 ( -0.447 0.836 -0.962) 1.351 3.329 ( -0.447 0.836 0.962) 1.351 3.439 ( -0.990 -3.176 -0.997) 3.473 3.439 ( -0.990 -3.176 0.997) 3.473 3.666 ( 2.458 -0.232 -1.830) 3.073 3.666 ( 2.458 -0.232 1.830) 3.073 3.809 ( -0.563 -2.519 -0.520) 2.633 3.809 ( -0.563 -2.519 0.520) 2.633 3.852 ( 0.393 2.774 -1.424) 3.142 3.852 ( 0.393 2.774 1.424) 3.142 3.879 ( -0.149 3.138 -1.043) 3.310 3.879 ( -0.149 3.138 1.043) 3.310 4.309 ( 0.644 -1.101 -0.433) 1.347 4.309 ( 0.644 -1.101 0.433) 1.347 4.334 ( 0.177 -0.057 -0.072) 0.200 4.334 ( 0.177 -0.057 0.072) 0.200 4.431 ( -0.735 1.775 -0.382) 1.959 4.431 ( -0.735 1.775 0.382) 1.959 4.474 ( 1.102 0.346 -0.872) 1.447 4.474 ( 1.102 0.346 0.872) 1.447 4.532 ( -0.247 -1.350 -1.283) 1.878 4.532 ( -0.247 -1.350 1.283) 1.878 4.604 ( -0.661 -2.065 -0.653) 2.264 4.604 ( -0.661 -2.065 0.653) 2.264 8.245 ( 0.618 0.307 -0.399) 0.797 8.245 ( 0.618 0.307 0.399) 0.797 8.263 ( -0.204 0.185 -0.218) 0.352 8.263 ( -0.204 0.185 0.218) 0.352 8.741 ( 0.708 1.250 -0.497) 1.520 8.741 ( 0.708 1.250 0.497) 1.520 8.791 ( 0.284 -0.457 -0.439) 0.694 8.791 ( 0.284 -0.457 0.439) 0.694 10.541 ( 1.186 0.371 -0.193) 1.257 10.541 ( 1.186 0.371 0.193) 1.257 10.597 ( -1.533 0.207 -0.252) 1.567 10.597 ( -1.533 0.207 0.252) 1.567 10.879 ( -0.118 1.402 -0.175) 1.418 10.879 ( -0.118 1.402 0.175) 1.418 10.910 ( -0.050 -0.039 -0.140) 0.154 10.910 ( -0.050 -0.039 0.140) 0.154 11.304 ( 0.066 0.695 -0.501) 0.859 11.304 ( 0.066 0.695 0.501) 0.859 11.330 ( 0.275 -0.553 -0.219) 0.656 11.330 ( 0.275 -0.553 0.219) 0.656 14.554 ( 0.595 0.605 -0.431) 0.952 14.554 ( 0.595 0.605 0.431) 0.952 14.577 ( -0.345 0.179 -0.196) 0.435 14.577 ( -0.345 0.179 0.196) 0.435 ======================= Grid point 174 (56/60) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 0.000 6.410 0.000) 6.410 1.433 ( 0.000 6.410 0.000) 6.410 1.569 ( 0.000 0.286 -0.000) 0.286 1.569 ( 0.000 0.286 0.000) 0.286 1.900 ( 0.000 4.362 -0.000) 4.362 1.900 ( -0.000 4.362 0.000) 4.362 1.906 ( -0.000 4.012 -0.000) 4.012 1.906 ( 0.000 4.012 0.000) 4.012 2.053 ( -0.000 1.644 -0.000) 1.644 2.053 ( 0.000 1.644 -0.000) 1.644 2.089 ( -0.000 -3.860 0.000) 3.860 2.089 ( -0.000 -3.860 0.000) 3.860 2.188 ( -0.000 -0.842 0.000) 0.842 2.188 ( -0.000 -0.842 0.000) 0.842 2.267 ( 0.000 -2.253 0.000) 2.253 2.267 ( 0.000 -2.253 0.000) 2.253 2.509 ( -0.000 4.320 0.000) 4.320 2.509 ( -0.000 4.320 0.000) 4.320 2.536 ( 0.000 1.972 -0.000) 1.972 2.536 ( 0.000 1.972 -0.000) 1.972 2.788 ( -0.000 5.467 -0.000) 5.467 2.788 ( -0.000 5.467 0.000) 5.467 2.810 ( 0.000 2.763 -0.000) 2.763 2.810 ( 0.000 2.763 0.000) 2.763 3.327 ( 0.000 -0.034 -0.000) 0.034 3.327 ( -0.000 -0.034 0.000) 0.034 3.426 ( 0.000 -3.338 0.000) 3.338 3.426 ( 0.000 -3.338 0.000) 3.338 3.698 ( 0.000 1.159 0.000) 1.159 3.698 ( 0.000 1.159 0.000) 1.159 3.795 ( -0.000 -3.108 -0.000) 3.108 3.795 ( 0.000 -3.108 0.000) 3.108 3.858 ( 0.000 2.904 -0.000) 2.904 3.858 ( 0.000 2.904 0.000) 2.904 3.876 ( 0.000 2.694 -0.000) 2.694 3.876 ( -0.000 2.694 0.000) 2.694 4.317 ( -0.000 -0.436 -0.000) 0.436 4.317 ( 0.000 -0.436 0.000) 0.436 4.334 ( 0.000 0.041 0.000) 0.041 4.334 ( 0.000 0.041 0.000) 0.041 4.425 ( 0.000 1.798 0.000) 1.798 4.425 ( 0.000 1.798 0.000) 1.798 4.482 ( -0.000 0.087 0.000) 0.087 4.482 ( 0.000 0.087 0.000) 0.087 4.535 ( 0.000 -0.788 0.000) 0.788 4.535 ( 0.000 -0.788 0.000) 0.788 4.596 ( -0.000 -2.563 0.000) 2.563 4.596 ( -0.000 -2.563 0.000) 2.563 8.256 ( -0.000 0.295 -0.000) 0.295 8.256 ( 0.000 0.295 0.000) 0.295 8.257 ( 0.000 0.295 -0.000) 0.295 8.257 ( 0.000 0.295 0.000) 0.295 8.748 ( -0.000 1.579 0.000) 1.579 8.748 ( 0.000 1.579 0.000) 1.579 8.794 ( 0.000 -0.727 0.000) 0.727 8.794 ( 0.000 -0.727 0.000) 0.727 10.565 ( -0.000 0.457 0.000) 0.457 10.565 ( 0.000 0.457 0.000) 0.457 10.570 ( -0.000 0.244 0.000) 0.244 10.570 ( 0.000 0.244 0.000) 0.244 10.878 ( 0.000 1.465 0.000) 1.465 10.878 ( 0.000 1.465 0.000) 1.465 10.909 ( -0.000 -0.074 0.000) 0.074 10.909 ( 0.000 -0.074 0.000) 0.074 11.304 ( 0.000 0.811 0.000) 0.811 11.304 ( 0.000 0.811 0.000) 0.811 11.333 ( 0.000 -0.633 0.000) 0.633 11.333 ( 0.000 -0.633 0.000) 0.633 14.562 ( 0.000 0.620 0.000) 0.620 14.562 ( 0.000 0.620 0.000) 0.620 14.571 ( 0.000 0.164 0.000) 0.164 14.571 ( 0.000 0.164 0.000) 0.164 ======================= Grid point 182 (57/60) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 0.000 0.000 0.000) 0.000 1.539 ( 0.000 0.000 0.000) 0.000 1.703 ( 0.000 0.000 0.000) 0.000 1.703 ( 0.000 0.000 0.000) 0.000 1.811 ( 0.000 0.000 -0.000) 0.000 1.811 ( 0.000 0.000 -0.000) 0.000 1.984 ( 0.000 0.000 0.000) 0.000 1.984 ( 0.000 0.000 0.000) 0.000 2.107 ( 0.000 -0.000 0.000) 0.000 2.107 ( 0.000 0.000 0.000) 0.000 2.116 ( 0.000 -0.000 -0.000) 0.000 2.116 ( 0.000 0.000 -0.000) 0.000 2.253 ( 0.000 0.000 -0.000) 0.000 2.253 ( 0.000 0.000 0.000) 0.000 2.356 ( 0.000 0.000 0.000) 0.000 2.356 ( 0.000 0.000 0.000) 0.000 2.373 ( 0.000 0.000 -0.000) 0.000 2.373 ( 0.000 0.000 0.000) 0.000 2.439 ( 0.000 0.000 -0.000) 0.000 2.439 ( 0.000 0.000 0.000) 0.000 2.733 ( 0.000 -0.000 0.000) 0.000 2.733 ( 0.000 -0.000 0.000) 0.000 2.831 ( 0.000 0.000 -0.000) 0.000 2.831 ( 0.000 0.000 0.000) 0.000 3.383 ( 0.000 -0.000 0.000) 0.000 3.383 ( 0.000 0.000 0.000) 0.000 3.432 ( 0.000 -0.000 -0.000) 0.000 3.432 ( 0.000 0.000 0.000) 0.000 3.576 ( 0.000 0.000 0.000) 0.000 3.576 ( 0.000 0.000 0.000) 0.000 3.766 ( 0.000 0.000 0.000) 0.000 3.766 ( 0.000 0.000 0.000) 0.000 3.877 ( 0.000 0.000 0.000) 0.000 3.877 ( 0.000 0.000 0.000) 0.000 3.920 ( 0.000 0.000 0.000) 0.000 3.920 ( 0.000 0.000 0.000) 0.000 4.255 ( 0.000 0.000 -0.000) 0.000 4.255 ( 0.000 0.000 0.000) 0.000 4.326 ( 0.000 0.000 0.000) 0.000 4.326 ( 0.000 0.000 0.000) 0.000 4.433 ( 0.000 0.000 0.000) 0.000 4.433 ( 0.000 0.000 -0.000) 0.000 4.505 ( 0.000 0.000 0.000) 0.000 4.505 ( 0.000 0.000 -0.000) 0.000 4.511 ( 0.000 -0.000 -0.000) 0.000 4.511 ( 0.000 -0.000 0.000) 0.000 4.603 ( 0.000 0.000 0.000) 0.000 4.603 ( 0.000 0.000 0.000) 0.000 8.233 ( 0.000 0.000 0.000) 0.000 8.233 ( 0.000 0.000 0.000) 0.000 8.265 ( 0.000 0.000 0.000) 0.000 8.265 ( 0.000 0.000 0.000) 0.000 8.725 ( 0.000 0.000 0.000) 0.000 8.725 ( 0.000 0.000 0.000) 0.000 8.783 ( 0.000 0.000 0.000) 0.000 8.783 ( 0.000 0.000 0.000) 0.000 10.521 ( 0.000 0.000 0.000) 0.000 10.521 ( 0.000 0.000 0.000) 0.000 10.631 ( 0.000 0.000 0.000) 0.000 10.631 ( 0.000 0.000 0.000) 0.000 10.896 ( 0.000 -0.000 0.000) 0.000 10.896 ( 0.000 0.000 0.000) 0.000 10.911 ( 0.000 0.000 0.000) 0.000 10.911 ( 0.000 0.000 0.000) 0.000 11.305 ( 0.000 -0.000 0.000) 0.000 11.305 ( 0.000 0.000 -0.000) 0.000 11.319 ( 0.000 0.000 0.000) 0.000 11.319 ( 0.000 0.000 0.000) 0.000 14.547 ( 0.000 0.000 0.000) 0.000 14.547 ( 0.000 0.000 0.000) 0.000 14.584 ( 0.000 0.000 0.000) 0.000 14.584 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 186 (58/60) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -0.231 -0.000 0.000) 0.231 1.540 ( -0.231 0.000 0.000) 0.231 1.667 ( -3.524 0.000 0.000) 3.524 1.667 ( -3.524 0.000 0.000) 3.524 1.815 ( 1.370 0.000 -0.000) 1.370 1.815 ( 1.370 0.000 0.000) 1.370 1.994 ( 0.644 0.000 -0.000) 0.644 1.994 ( 0.644 0.000 0.000) 0.644 2.071 ( -2.469 0.000 0.000) 2.469 2.071 ( -2.469 0.000 0.000) 2.469 2.097 ( -2.225 -0.000 0.000) 2.225 2.097 ( -2.225 0.000 0.000) 2.225 2.280 ( 1.495 0.000 -0.000) 1.495 2.280 ( 1.495 0.000 0.000) 1.495 2.317 ( -3.620 0.000 0.000) 3.620 2.317 ( -3.620 0.000 0.000) 3.620 2.416 ( 3.595 -0.000 -0.000) 3.595 2.416 ( 3.595 0.000 0.000) 3.595 2.459 ( 2.813 0.000 -0.000) 2.813 2.459 ( 2.813 0.000 0.000) 2.813 2.745 ( 1.265 -0.000 0.000) 1.265 2.745 ( 1.265 -0.000 0.000) 1.265 2.854 ( 1.858 0.000 0.000) 1.858 2.854 ( 1.858 0.000 0.000) 1.858 3.378 ( -0.483 -0.000 0.000) 0.483 3.378 ( -0.483 0.000 0.000) 0.483 3.411 ( -2.012 -0.000 -0.000) 2.012 3.411 ( -2.012 0.000 -0.000) 2.012 3.600 ( 2.516 0.000 0.000) 2.516 3.600 ( 2.516 0.000 0.000) 2.516 3.778 ( 0.883 0.000 0.000) 0.883 3.778 ( 0.883 0.000 0.000) 0.883 3.877 ( 0.081 0.000 0.000) 0.081 3.877 ( 0.081 0.000 0.000) 0.081 3.916 ( -0.354 0.000 0.000) 0.354 3.916 ( -0.354 0.000 0.000) 0.354 4.271 ( 1.543 0.000 -0.000) 1.543 4.271 ( 1.543 0.000 0.000) 1.543 4.329 ( 0.257 0.000 0.000) 0.257 4.329 ( 0.257 0.000 0.000) 0.257 4.439 ( 0.549 0.000 0.000) 0.549 4.439 ( 0.549 0.000 -0.000) 0.549 4.496 ( -0.897 0.000 0.000) 0.897 4.496 ( -0.897 0.000 -0.000) 0.897 4.515 ( 0.418 -0.000 -0.000) 0.418 4.515 ( 0.418 0.000 0.000) 0.418 4.594 ( -0.857 0.000 0.000) 0.857 4.594 ( -0.857 0.000 0.000) 0.857 8.238 ( 0.467 0.000 0.000) 0.467 8.238 ( 0.467 0.000 0.000) 0.467 8.265 ( 0.049 0.000 0.000) 0.049 8.265 ( 0.049 0.000 0.000) 0.049 8.734 ( 0.944 0.000 0.000) 0.944 8.734 ( 0.944 0.000 0.000) 0.944 8.784 ( 0.119 0.000 0.000) 0.119 8.784 ( 0.119 0.000 0.000) 0.119 10.527 ( 0.646 0.000 0.000) 0.646 10.527 ( 0.646 0.000 0.000) 0.646 10.622 ( -0.894 0.000 0.000) 0.894 10.622 ( -0.894 0.000 0.000) 0.894 10.897 ( 0.076 -0.000 0.000) 0.076 10.897 ( 0.076 0.000 0.000) 0.076 10.909 ( -0.214 0.000 0.000) 0.214 10.909 ( -0.214 0.000 0.000) 0.214 11.308 ( 0.291 -0.000 -0.000) 0.291 11.308 ( 0.291 0.000 0.000) 0.291 11.320 ( 0.081 0.000 0.000) 0.081 11.320 ( 0.081 0.000 0.000) 0.081 14.551 ( 0.378 0.000 0.000) 0.378 14.551 ( 0.378 0.000 0.000) 0.378 14.582 ( -0.127 0.000 0.000) 0.127 14.582 ( -0.127 0.000 0.000) 0.127 ======================= Grid point 190 (59/60) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -0.591 0.000 0.000) 0.591 1.528 ( -0.591 0.000 0.000) 0.591 1.591 ( -4.000 0.000 0.000) 4.000 1.591 ( -4.000 0.000 0.000) 4.000 1.878 ( 4.861 0.000 -0.000) 4.861 1.878 ( 4.861 0.000 -0.000) 4.861 1.980 ( -1.597 0.000 0.000) 1.597 1.980 ( -1.597 0.000 0.000) 1.597 2.047 ( -2.371 -0.000 -0.000) 2.371 2.047 ( -2.371 0.000 -0.000) 2.371 2.061 ( 0.571 -0.000 0.000) 0.571 2.061 ( 0.571 0.000 0.000) 0.571 2.238 ( -3.819 -0.000 -0.000) 3.819 2.238 ( -3.819 0.000 0.000) 3.819 2.269 ( -2.380 0.000 0.000) 2.380 2.269 ( -2.380 0.000 0.000) 2.380 2.491 ( 4.118 0.000 -0.000) 4.118 2.491 ( 4.118 0.000 0.000) 4.118 2.535 ( 3.678 0.000 -0.000) 3.678 2.535 ( 3.678 0.000 0.000) 3.678 2.781 ( 2.674 -0.000 0.000) 2.674 2.781 ( 2.674 0.000 0.000) 2.674 2.875 ( -0.112 0.000 -0.000) 0.112 2.875 ( -0.112 0.000 0.000) 0.112 3.367 ( -0.609 -0.000 0.000) 0.609 3.367 ( -0.609 0.000 0.000) 0.609 3.373 ( -1.547 -0.000 0.000) 1.547 3.373 ( -1.547 0.000 -0.000) 1.547 3.663 ( 3.893 0.000 0.000) 3.893 3.663 ( 3.893 0.000 0.000) 3.893 3.779 ( -1.145 0.000 0.000) 1.145 3.779 ( -1.145 0.000 0.000) 1.145 3.883 ( 0.514 0.000 0.000) 0.514 3.883 ( 0.514 0.000 0.000) 0.514 3.908 ( -0.537 0.000 0.000) 0.537 3.908 ( -0.537 0.000 0.000) 0.537 4.302 ( 1.528 0.000 0.000) 1.528 4.302 ( 1.528 0.000 0.000) 1.528 4.332 ( -0.020 0.000 0.000) 0.020 4.332 ( -0.020 0.000 0.000) 0.020 4.452 ( 0.790 -0.000 0.000) 0.790 4.452 ( 0.790 0.000 0.000) 0.790 4.477 ( -0.876 0.000 0.000) 0.876 4.477 ( -0.876 0.000 0.000) 0.876 4.527 ( 0.824 0.000 0.000) 0.824 4.527 ( 0.824 0.000 0.000) 0.824 4.573 ( -1.346 0.000 0.000) 1.346 4.573 ( -1.346 0.000 0.000) 1.346 8.248 ( 0.641 0.000 -0.000) 0.641 8.248 ( 0.641 0.000 0.000) 0.641 8.265 ( -0.137 0.000 -0.000) 0.137 8.265 ( -0.137 0.000 0.000) 0.137 8.756 ( 1.223 0.000 0.000) 1.223 8.756 ( 1.223 0.000 0.000) 1.223 8.784 ( -0.175 0.000 0.000) 0.175 8.784 ( -0.175 0.000 0.000) 0.175 10.545 ( 1.214 0.000 0.000) 1.214 10.545 ( 1.214 0.000 0.000) 1.214 10.600 ( -1.446 0.000 0.000) 1.446 10.600 ( -1.446 0.000 0.000) 1.446 10.898 ( 0.098 -0.000 0.000) 0.098 10.898 ( 0.098 0.000 0.000) 0.098 10.904 ( -0.236 -0.000 0.000) 0.236 10.904 ( -0.236 0.000 0.000) 0.236 11.314 ( 0.352 -0.000 0.000) 0.352 11.314 ( 0.352 0.000 0.000) 0.352 11.321 ( 0.027 0.000 -0.000) 0.027 11.321 ( 0.027 0.000 0.000) 0.027 14.560 ( 0.569 0.000 0.000) 0.569 14.560 ( 0.569 0.000 0.000) 0.569 14.578 ( -0.317 0.000 0.000) 0.317 14.578 ( -0.317 0.000 0.000) 0.317 ======================= Grid point 194 (60/60) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -0.341 -3.809 0.000) 3.825 1.536 ( -0.341 -3.809 0.000) 3.825 1.536 ( 0.341 3.809 0.000) 3.825 1.536 ( 0.341 3.809 0.000) 3.825 1.953 ( -1.890 -0.147 -0.000) 1.895 1.953 ( -1.890 -0.147 0.000) 1.895 1.953 ( 1.890 0.147 0.000) 1.895 1.953 ( 1.890 0.147 0.000) 1.895 2.040 ( -2.055 -0.010 -0.000) 2.055 2.040 ( -2.055 -0.010 0.000) 2.055 2.040 ( 2.055 0.010 -0.000) 2.055 2.040 ( 2.055 0.010 0.000) 2.055 2.220 ( -0.617 -2.564 0.000) 2.637 2.220 ( -0.617 -2.564 0.000) 2.637 2.220 ( 0.617 2.564 0.000) 2.637 2.220 ( 0.617 2.564 0.000) 2.637 2.553 ( -1.620 -0.166 0.000) 1.628 2.553 ( -1.620 -0.166 0.000) 1.628 2.553 ( 1.620 0.166 0.000) 1.628 2.553 ( 1.620 0.166 0.000) 1.628 2.842 ( -3.179 -0.011 0.000) 3.179 2.842 ( -3.179 -0.011 0.000) 3.179 2.842 ( 3.179 0.011 0.000) 3.179 2.842 ( 3.179 0.011 0.000) 3.179 3.360 ( 0.000 -3.200 0.000) 3.200 3.360 ( 0.000 -3.200 0.000) 3.200 3.360 ( 0.000 3.200 0.000) 3.200 3.360 ( 0.000 3.200 0.000) 3.200 3.734 ( -1.790 -2.338 0.000) 2.944 3.734 ( -1.790 -2.338 0.000) 2.944 3.734 ( 1.790 2.338 0.000) 2.944 3.734 ( 1.790 2.338 0.000) 2.944 3.895 ( -0.392 -0.543 0.000) 0.670 3.895 ( -0.392 -0.543 0.000) 0.670 3.895 ( 0.392 0.543 0.000) 0.670 3.895 ( 0.392 0.543 0.000) 0.670 4.325 ( -0.361 -0.726 0.000) 0.811 4.325 ( -0.361 -0.726 0.000) 0.811 4.325 ( 0.361 0.726 0.000) 0.811 4.325 ( 0.361 0.726 0.000) 0.811 4.465 ( -0.077 -2.025 0.000) 2.026 4.465 ( -0.077 -2.025 0.000) 2.026 4.465 ( 0.077 2.025 0.000) 2.026 4.465 ( 0.077 2.025 0.000) 2.026 4.547 ( -0.379 -2.092 0.000) 2.126 4.547 ( -0.379 -2.092 0.000) 2.126 4.547 ( 0.379 2.092 -0.000) 2.126 4.547 ( 0.379 2.092 0.000) 2.126 8.259 ( -0.458 -0.005 0.000) 0.458 8.259 ( -0.458 -0.005 0.000) 0.458 8.259 ( 0.458 0.005 0.000) 0.458 8.259 ( 0.458 0.005 0.000) 0.458 8.775 ( -0.244 -1.184 0.000) 1.209 8.775 ( -0.244 -1.184 0.000) 1.209 8.775 ( 0.244 1.184 0.000) 1.209 8.775 ( 0.244 1.184 0.000) 1.209 10.571 ( -1.513 -0.024 0.000) 1.513 10.571 ( -1.513 -0.024 0.000) 1.513 10.571 ( 1.513 0.024 0.000) 1.513 10.571 ( 1.513 0.024 0.000) 1.513 10.901 ( -0.012 -0.843 0.000) 0.843 10.901 ( -0.012 -0.843 0.000) 0.843 10.901 ( 0.012 0.843 0.000) 0.843 10.901 ( 0.012 0.843 0.000) 0.843 11.320 ( -0.021 -0.765 0.000) 0.765 11.320 ( -0.021 -0.765 0.000) 0.765 11.320 ( 0.021 0.765 0.000) 0.765 11.320 ( 0.021 0.765 0.000) 0.765 14.570 ( -0.373 -0.168 0.000) 0.410 14.570 ( -0.373 -0.168 0.000) 0.410 14.570 ( 0.373 0.168 0.000) 0.410 14.570 ( 0.373 0.168 0.000) 0.410 =================== 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 3/13824 10.0 465.800 594.803 377.568 0.000 0.000 -0.000 3/13824 20.0 66.234 90.268 67.300 0.000 0.000 -0.000 3/13824 30.0 24.618 32.733 24.733 0.000 0.000 -0.000 3/13824 40.0 13.453 17.575 13.222 0.000 0.000 -0.000 3/13824 50.0 8.979 11.628 8.687 0.000 0.000 -0.000 3/13824 60.0 6.703 8.644 6.418 0.000 0.000 -0.000 3/13824 70.0 5.353 6.889 5.090 0.000 0.000 -0.000 3/13824 80.0 4.466 5.741 4.226 0.000 0.000 -0.000 3/13824 90.0 3.839 4.932 3.621 0.000 0.000 -0.000 3/13824 100.0 3.372 4.331 3.172 0.000 0.000 -0.000 3/13824 110.0 3.010 3.865 2.826 0.000 0.000 -0.000 3/13824 120.0 2.721 3.493 2.551 0.000 0.000 -0.000 3/13824 130.0 2.485 3.189 2.326 0.000 0.000 -0.000 3/13824 140.0 2.288 2.935 2.140 0.000 0.000 -0.000 3/13824 150.0 2.120 2.720 1.982 0.000 0.000 -0.000 3/13824 160.0 1.977 2.535 1.846 0.000 0.000 -0.000 3/13824 170.0 1.852 2.375 1.728 0.000 0.000 -0.000 3/13824 180.0 1.742 2.234 1.625 0.000 0.000 -0.000 3/13824 190.0 1.645 2.109 1.534 0.000 0.000 -0.000 3/13824 200.0 1.558 1.998 1.452 0.000 0.000 -0.000 3/13824 210.0 1.480 1.898 1.379 0.000 0.000 -0.000 3/13824 220.0 1.410 1.808 1.314 0.000 0.000 -0.000 3/13824 230.0 1.347 1.726 1.254 0.000 0.000 -0.000 3/13824 240.0 1.288 1.652 1.200 0.000 0.000 -0.000 3/13824 250.0 1.235 1.583 1.150 0.000 0.000 -0.000 3/13824 260.0 1.186 1.520 1.104 0.000 0.000 -0.000 3/13824 270.0 1.141 1.463 1.062 0.000 0.000 -0.000 3/13824 280.0 1.099 1.409 1.023 0.000 0.000 -0.000 3/13824 290.0 1.061 1.359 0.987 0.000 0.000 -0.000 3/13824 300.0 1.025 1.313 0.953 0.000 0.000 -0.000 3/13824 310.0 0.991 1.270 0.921 0.000 0.000 -0.000 3/13824 320.0 0.959 1.229 0.892 0.000 0.000 -0.000 3/13824 330.0 0.930 1.191 0.864 0.000 0.000 -0.000 3/13824 340.0 0.902 1.156 0.838 0.000 0.000 -0.000 3/13824 350.0 0.876 1.122 0.814 0.000 0.000 -0.000 3/13824 360.0 0.851 1.090 0.791 0.000 0.000 -0.000 3/13824 370.0 0.828 1.061 0.769 0.000 0.000 -0.000 3/13824 380.0 0.806 1.032 0.749 0.000 0.000 -0.000 3/13824 390.0 0.785 1.005 0.729 0.000 0.000 -0.000 3/13824 400.0 0.765 0.980 0.711 0.000 0.000 -0.000 3/13824 410.0 0.746 0.956 0.693 0.000 0.000 -0.000 3/13824 420.0 0.728 0.933 0.677 0.000 0.000 -0.000 3/13824 430.0 0.711 0.911 0.661 0.000 0.000 -0.000 3/13824 440.0 0.695 0.890 0.646 0.000 0.000 -0.000 3/13824 450.0 0.679 0.870 0.631 0.000 0.000 -0.000 3/13824 460.0 0.665 0.851 0.617 0.000 0.000 -0.000 3/13824 470.0 0.650 0.833 0.604 0.000 0.000 -0.000 3/13824 480.0 0.637 0.815 0.591 0.000 0.000 -0.000 3/13824 490.0 0.624 0.799 0.579 0.000 0.000 -0.000 3/13824 500.0 0.611 0.783 0.567 0.000 0.000 -0.000 3/13824 510.0 0.599 0.767 0.556 0.000 0.000 -0.000 3/13824 520.0 0.587 0.752 0.545 0.000 0.000 -0.000 3/13824 530.0 0.576 0.738 0.535 0.000 0.000 -0.000 3/13824 540.0 0.566 0.724 0.525 0.000 0.000 -0.000 3/13824 550.0 0.555 0.711 0.516 0.000 0.000 -0.000 3/13824 560.0 0.545 0.698 0.506 0.000 0.000 -0.000 3/13824 570.0 0.536 0.686 0.497 0.000 0.000 -0.000 3/13824 580.0 0.526 0.674 0.489 0.000 0.000 -0.000 3/13824 590.0 0.517 0.663 0.480 0.000 0.000 -0.000 3/13824 600.0 0.509 0.651 0.472 0.000 0.000 -0.000 3/13824 610.0 0.500 0.641 0.465 0.000 0.000 -0.000 3/13824 620.0 0.492 0.630 0.457 0.000 0.000 -0.000 3/13824 630.0 0.485 0.620 0.450 0.000 0.000 -0.000 3/13824 640.0 0.477 0.611 0.443 0.000 0.000 -0.000 3/13824 650.0 0.470 0.601 0.436 0.000 0.000 -0.000 3/13824 660.0 0.462 0.592 0.429 0.000 0.000 -0.000 3/13824 670.0 0.456 0.583 0.423 0.000 0.000 -0.000 3/13824 680.0 0.449 0.575 0.417 0.000 0.000 -0.000 3/13824 690.0 0.442 0.566 0.411 0.000 0.000 -0.000 3/13824 700.0 0.436 0.558 0.405 0.000 0.000 -0.000 3/13824 710.0 0.430 0.550 0.399 0.000 0.000 -0.000 3/13824 720.0 0.424 0.543 0.393 0.000 0.000 -0.000 3/13824 730.0 0.418 0.535 0.388 0.000 0.000 -0.000 3/13824 740.0 0.412 0.528 0.383 0.000 0.000 -0.000 3/13824 750.0 0.407 0.521 0.378 0.000 0.000 -0.000 3/13824 760.0 0.402 0.514 0.373 0.000 0.000 -0.000 3/13824 770.0 0.396 0.507 0.368 0.000 0.000 -0.000 3/13824 780.0 0.391 0.501 0.363 0.000 0.000 -0.000 3/13824 790.0 0.386 0.494 0.358 0.000 0.000 -0.000 3/13824 800.0 0.381 0.488 0.354 0.000 0.000 -0.000 3/13824 810.0 0.377 0.482 0.350 0.000 0.000 -0.000 3/13824 820.0 0.372 0.476 0.345 0.000 0.000 -0.000 3/13824 830.0 0.368 0.471 0.341 0.000 0.000 -0.000 3/13824 840.0 0.363 0.465 0.337 0.000 0.000 -0.000 3/13824 850.0 0.359 0.460 0.333 0.000 0.000 -0.000 3/13824 860.0 0.355 0.454 0.329 0.000 0.000 -0.000 3/13824 870.0 0.351 0.449 0.325 0.000 0.000 -0.000 3/13824 880.0 0.347 0.444 0.322 0.000 0.000 -0.000 3/13824 890.0 0.343 0.439 0.318 0.000 0.000 -0.000 3/13824 900.0 0.339 0.434 0.315 0.000 0.000 -0.000 3/13824 910.0 0.335 0.429 0.311 0.000 0.000 -0.000 3/13824 920.0 0.332 0.425 0.308 0.000 0.000 -0.000 3/13824 930.0 0.328 0.420 0.304 0.000 0.000 -0.000 3/13824 940.0 0.325 0.415 0.301 0.000 0.000 -0.000 3/13824 950.0 0.321 0.411 0.298 0.000 0.000 -0.000 3/13824 960.0 0.318 0.407 0.295 0.000 0.000 -0.000 3/13824 970.0 0.315 0.403 0.292 0.000 0.000 -0.000 3/13824 980.0 0.311 0.399 0.289 0.000 0.000 -0.000 3/13824 990.0 0.308 0.395 0.286 0.000 0.000 -0.000 3/13824 1000.0 0.305 0.391 0.283 0.000 0.000 -0.000 3/13824 Thermal conductivity related properties were written into "kappa-m684.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:59:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|