----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:35:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.709516407198176 -3.559036200000000 0.000000000000000 b 7.709516407198176 3.559036200000000 0.000000000000000 c -6.170880387377448 0.000000000000000 10.478564210971173 Atomic positions (fractional): *1 B 0.61032575041881 0.15530660744606 0.15302516865570 10.811 2 B 0.84469339255394 0.38967424958119 0.34697483134430 10.811 3 B 0.38967424958119 0.84469339255394 0.84697483134430 10.811 4 B 0.15530660744606 0.61032575041881 0.65302516865570 10.811 *5 K 0.88317570492620 0.32575998990269 0.02169362410385 39.098 6 K 0.67424001009731 0.11682429507380 0.47830637589615 39.098 7 K 0.11682429507380 0.67424001009731 0.97830637589615 39.098 8 K 0.32575998990269 0.88317570492620 0.52169362410385 39.098 *9 Se 0.54025643982998 0.45974356017002 0.25000000000000 78.960 10 Se 0.45974356017002 0.54025643982998 0.75000000000000 78.960 *11 Se 0.43157015633385 0.82261635081473 0.01939146974988 78.960 12 Se 0.17738364918527 0.56842984366615 0.48060853025012 78.960 13 Se 0.56842984366615 0.17738364918527 0.98060853025012 78.960 14 Se 0.82261635081473 0.43157015633385 0.51939146974988 78.960 *15 Se 0.38821029897833 0.14809300672337 0.17092592882399 78.960 16 Se 0.85190699327663 0.61178970102167 0.32907407117601 78.960 17 Se 0.61178970102167 0.85190699327663 0.82907407117601 78.960 18 Se 0.14809300672337 0.38821029897833 0.67092592882399 78.960 *19 Se 0.90655281754720 0.92675526111879 0.23241488060073 78.960 20 Se 0.07324473888121 0.09344718245280 0.26758511939927 78.960 21 Se 0.09344718245280 0.07324473888121 0.76758511939927 78.960 22 Se 0.92675526111879 0.90655281754720 0.73241488060073 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 15.419032814396353 0.000000000000000 0.000000000000000 b 0.000000000000000 7.118072400000000 0.000000000000000 c -6.170880387377448 0.000000000000000 10.478564210971173 Atomic positions (fractional): *1 B 0.88281617893243 0.27249042851362 0.15302516865570 10.811 > 1 2 B 0.11718382106757 0.27249042851362 0.34697483134430 10.811 > 2 3 B 0.11718382106757 0.72750957148638 0.84697483134430 10.811 > 3 4 B 0.88281617893243 0.72750957148638 0.65302516865570 10.811 > 4 5 B 0.38281617893243 0.77249042851362 0.15302516865570 10.811 > 1 6 B 0.61718382106757 0.77249042851362 0.34697483134430 10.811 > 2 7 B 0.61718382106757 0.22750957148638 0.84697483134430 10.811 > 3 8 B 0.38281617893243 0.22750957148638 0.65302516865570 10.811 > 4 *9 K 0.60446784741445 0.72129214248825 0.02169362410385 39.098 > 5 10 K 0.89553215258555 0.22129214248825 0.47830637589615 39.098 > 6 11 K 0.39553215258555 0.27870785751175 0.97830637589615 39.098 > 7 12 K 0.10446784741445 0.77870785751175 0.52169362410385 39.098 > 8 13 K 0.10446784741445 0.22129214248825 0.02169362410385 39.098 > 5 14 K 0.39553215258555 0.72129214248825 0.47830637589615 39.098 > 6 15 K 0.89553215258555 0.77870785751175 0.97830637589615 39.098 > 7 16 K 0.60446784741445 0.27870785751175 0.52169362410385 39.098 > 8 *17 Se 0.00000000000000 0.45974356017002 0.25000000000000 78.960 > 9 18 Se 0.00000000000000 0.54025643982998 0.75000000000000 78.960 > 10 *19 Se 0.62709325357429 0.19552309724044 0.01939146974988 78.960 > 11 20 Se 0.87290674642571 0.69552309724044 0.48060853025012 78.960 > 12 21 Se 0.37290674642571 0.80447690275956 0.98060853025012 78.960 > 13 22 Se 0.12709325357429 0.30447690275956 0.51939146974988 78.960 > 14 *23 Se 0.76815165285085 0.37994135387252 0.17092592882399 78.960 > 15 24 Se 0.73184834714915 0.87994135387252 0.32907407117601 78.960 > 16 25 Se 0.23184834714915 0.62005864612748 0.82907407117601 78.960 > 17 26 Se 0.26815165285085 0.12005864612748 0.67092592882399 78.960 > 18 *27 Se 0.91665403933300 0.01010122178580 0.23241488060073 78.960 > 19 28 Se 0.08334596066700 0.01010122178580 0.26758511939927 78.960 > 20 29 Se 0.08334596066700 0.98989877821421 0.76758511939927 78.960 > 21 30 Se 0.91665403933300 0.98989877821421 0.73241488060073 78.960 > 22 31 Se 0.50000000000000 0.95974356017002 0.25000000000000 78.960 > 9 32 Se 0.50000000000000 0.04025643982998 0.75000000000000 78.960 > 10 33 Se 0.12709325357429 0.69552309724044 0.01939146974988 78.960 > 11 34 Se 0.37290674642571 0.19552309724044 0.48060853025012 78.960 > 12 35 Se 0.87290674642571 0.30447690275956 0.98060853025012 78.960 > 13 36 Se 0.62709325357429 0.80447690275956 0.51939146974988 78.960 > 14 37 Se 0.26815165285085 0.87994135387252 0.17092592882399 78.960 > 15 38 Se 0.23184834714915 0.37994135387252 0.32907407117601 78.960 > 16 39 Se 0.73184834714915 0.12005864612748 0.82907407117601 78.960 > 17 40 Se 0.76815165285085 0.62005864612748 0.67092592882399 78.960 > 18 41 Se 0.41665403933300 0.51010122178579 0.23241488060073 78.960 > 19 42 Se 0.58334596066700 0.51010122178579 0.26758511939927 78.960 > 20 43 Se 0.58334596066700 0.48989877821421 0.76758511939927 78.960 > 21 44 Se 0.41665403933300 0.48989877821421 0.73241488060073 78.960 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.419032814396353 0.000000000000000 0.000000000000000 b 0.000000000000000 14.236144800000000 0.000000000000000 c -6.170880387377448 0.000000000000000 10.478564210971173 Atomic positions (fractional): *1 B 0.88281617893243 0.13624521425681 0.15302516865570 10.811 > 1 2 B 0.88281617893243 0.63624521425681 0.15302516865570 10.811 > 1 3 B 0.11718382106757 0.13624521425681 0.34697483134430 10.811 > 2 4 B 0.11718382106757 0.63624521425681 0.34697483134430 10.811 > 2 5 B 0.11718382106757 0.36375478574319 0.84697483134430 10.811 > 3 6 B 0.11718382106757 0.86375478574319 0.84697483134430 10.811 > 3 7 B 0.88281617893243 0.36375478574319 0.65302516865570 10.811 > 4 8 B 0.88281617893243 0.86375478574319 0.65302516865570 10.811 > 4 9 B 0.38281617893243 0.38624521425681 0.15302516865570 10.811 > 1 10 B 0.38281617893243 0.88624521425681 0.15302516865570 10.811 > 1 11 B 0.61718382106757 0.38624521425681 0.34697483134430 10.811 > 2 12 B 0.61718382106757 0.88624521425681 0.34697483134430 10.811 > 2 13 B 0.61718382106757 0.11375478574319 0.84697483134430 10.811 > 3 14 B 0.61718382106757 0.61375478574319 0.84697483134430 10.811 > 3 15 B 0.38281617893243 0.11375478574319 0.65302516865570 10.811 > 4 16 B 0.38281617893243 0.61375478574319 0.65302516865570 10.811 > 4 *17 K 0.60446784741445 0.36064607124412 0.02169362410385 39.098 > 5 18 K 0.60446784741445 0.86064607124412 0.02169362410385 39.098 > 5 19 K 0.89553215258555 0.11064607124412 0.47830637589615 39.098 > 6 20 K 0.89553215258555 0.61064607124412 0.47830637589615 39.098 > 6 21 K 0.39553215258555 0.13935392875588 0.97830637589615 39.098 > 7 22 K 0.39553215258555 0.63935392875588 0.97830637589615 39.098 > 7 23 K 0.10446784741445 0.38935392875588 0.52169362410385 39.098 > 8 24 K 0.10446784741445 0.88935392875588 0.52169362410385 39.098 > 8 25 K 0.10446784741445 0.11064607124412 0.02169362410385 39.098 > 5 26 K 0.10446784741445 0.61064607124412 0.02169362410385 39.098 > 5 27 K 0.39553215258555 0.36064607124412 0.47830637589615 39.098 > 6 28 K 0.39553215258555 0.86064607124412 0.47830637589615 39.098 > 6 29 K 0.89553215258555 0.38935392875588 0.97830637589615 39.098 > 7 30 K 0.89553215258555 0.88935392875588 0.97830637589615 39.098 > 7 31 K 0.60446784741445 0.13935392875588 0.52169362410385 39.098 > 8 32 K 0.60446784741445 0.63935392875588 0.52169362410385 39.098 > 8 *33 Se 0.00000000000000 0.22987178008501 0.25000000000000 78.960 > 9 34 Se 0.00000000000000 0.72987178008501 0.25000000000000 78.960 > 9 35 Se 0.00000000000000 0.27012821991499 0.75000000000000 78.960 > 10 36 Se 0.00000000000000 0.77012821991499 0.75000000000000 78.960 > 10 *37 Se 0.62709325357429 0.09776154862022 0.01939146974988 78.960 > 11 38 Se 0.62709325357429 0.59776154862022 0.01939146974988 78.960 > 11 39 Se 0.87290674642571 0.34776154862022 0.48060853025012 78.960 > 12 40 Se 0.87290674642571 0.84776154862022 0.48060853025012 78.960 > 12 41 Se 0.37290674642571 0.40223845137978 0.98060853025012 78.960 > 13 42 Se 0.37290674642571 0.90223845137978 0.98060853025012 78.960 > 13 43 Se 0.12709325357429 0.15223845137978 0.51939146974988 78.960 > 14 44 Se 0.12709325357429 0.65223845137978 0.51939146974988 78.960 > 14 *45 Se 0.76815165285085 0.18997067693626 0.17092592882399 78.960 > 15 46 Se 0.76815165285085 0.68997067693626 0.17092592882399 78.960 > 15 47 Se 0.73184834714915 0.43997067693626 0.32907407117601 78.960 > 16 48 Se 0.73184834714915 0.93997067693626 0.32907407117601 78.960 > 16 49 Se 0.23184834714915 0.31002932306374 0.82907407117601 78.960 > 17 50 Se 0.23184834714915 0.81002932306374 0.82907407117601 78.960 > 17 51 Se 0.26815165285085 0.06002932306374 0.67092592882399 78.960 > 18 52 Se 0.26815165285085 0.56002932306374 0.67092592882399 78.960 > 18 *53 Se 0.91665403933300 0.00505061089290 0.23241488060073 78.960 > 19 54 Se 0.91665403933300 0.50505061089290 0.23241488060073 78.960 > 19 55 Se 0.08334596066700 0.00505061089290 0.26758511939927 78.960 > 20 56 Se 0.08334596066700 0.50505061089290 0.26758511939927 78.960 > 20 57 Se 0.08334596066700 0.49494938910710 0.76758511939927 78.960 > 21 58 Se 0.08334596066700 0.99494938910710 0.76758511939927 78.960 > 21 59 Se 0.91665403933300 0.49494938910710 0.73241488060073 78.960 > 22 60 Se 0.91665403933300 0.99494938910710 0.73241488060073 78.960 > 22 61 Se 0.50000000000000 0.47987178008501 0.25000000000000 78.960 > 9 62 Se 0.50000000000000 0.97987178008501 0.25000000000000 78.960 > 9 63 Se 0.50000000000000 0.02012821991499 0.75000000000000 78.960 > 10 64 Se 0.50000000000000 0.52012821991499 0.75000000000000 78.960 > 10 65 Se 0.12709325357429 0.34776154862022 0.01939146974988 78.960 > 11 66 Se 0.12709325357429 0.84776154862022 0.01939146974988 78.960 > 11 67 Se 0.37290674642571 0.09776154862022 0.48060853025012 78.960 > 12 68 Se 0.37290674642571 0.59776154862022 0.48060853025012 78.960 > 12 69 Se 0.87290674642571 0.15223845137978 0.98060853025012 78.960 > 13 70 Se 0.87290674642571 0.65223845137978 0.98060853025012 78.960 > 13 71 Se 0.62709325357429 0.40223845137978 0.51939146974988 78.960 > 14 72 Se 0.62709325357429 0.90223845137978 0.51939146974988 78.960 > 14 73 Se 0.26815165285085 0.43997067693626 0.17092592882399 78.960 > 15 74 Se 0.26815165285085 0.93997067693626 0.17092592882399 78.960 > 15 75 Se 0.23184834714915 0.18997067693626 0.32907407117601 78.960 > 16 76 Se 0.23184834714915 0.68997067693626 0.32907407117601 78.960 > 16 77 Se 0.73184834714915 0.06002932306374 0.82907407117601 78.960 > 17 78 Se 0.73184834714915 0.56002932306374 0.82907407117601 78.960 > 17 79 Se 0.76815165285085 0.31002932306374 0.67092592882399 78.960 > 18 80 Se 0.76815165285085 0.81002932306374 0.67092592882399 78.960 > 18 81 Se 0.41665403933300 0.25505061089290 0.23241488060073 78.960 > 19 82 Se 0.41665403933300 0.75505061089290 0.23241488060073 78.960 > 19 83 Se 0.58334596066700 0.25505061089290 0.26758511939927 78.960 > 20 84 Se 0.58334596066700 0.75505061089290 0.26758511939927 78.960 > 20 85 Se 0.58334596066700 0.24494938910710 0.76758511939927 78.960 > 21 86 Se 0.58334596066700 0.74494938910710 0.76758511939927 78.960 > 21 87 Se 0.41665403933300 0.24494938910710 0.73241488060073 78.960 > 22 88 Se 0.41665403933300 0.74494938910710 0.73241488060073 78.960 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.9587986 0.0000000 1.4154909 0.0000000 4.2244408 0.0000000 1.4154882 0.0000000 6.4812001 -------------------------- Born effective charges -------------------------- 1 B 1.0219176 -0.1608095 0.2474634 -0.0822912 0.5912254 -0.3018106 -0.0283673 -0.2889916 1.2250989 2 B 1.0219176 0.1608095 0.2474634 0.0822912 0.5912254 0.3018106 -0.0283673 0.2889916 1.2250989 3 B 1.0219176 -0.1608095 0.2474634 -0.0822912 0.5912254 -0.3018106 -0.0283673 -0.2889916 1.2250989 4 B 1.0219176 0.1608095 0.2474634 0.0822912 0.5912254 0.3018106 -0.0283673 0.2889916 1.2250989 5 K 1.1423712 -0.0553216 -0.0087551 -0.0179434 1.3952044 -0.0480514 -0.0701438 0.1113473 1.3619675 6 K 1.1423712 0.0553216 -0.0087551 0.0179434 1.3952044 0.0480514 -0.0701438 -0.1113473 1.3619675 7 K 1.1423712 -0.0553216 -0.0087551 -0.0179434 1.3952044 -0.0480514 -0.0701438 0.1113473 1.3619675 8 K 1.1423712 0.0553216 -0.0087551 0.0179434 1.3952044 0.0480514 -0.0701438 -0.1113473 1.3619675 9 Se -0.9772355 0.0000000 -1.2835181 0.0000000 -0.7215761 0.0000000 -0.6803163 0.0000000 -2.3919236 10 Se -0.9772355 0.0000000 -1.2835181 0.0000000 -0.7215761 0.0000000 -0.6803163 0.0000000 -2.3919236 11 Se -0.8620773 0.3595003 0.8613427 0.0933798 -0.4072222 0.3462640 0.4361843 0.7761108 0.4565916 12 Se -0.8620773 -0.3595003 0.8613427 -0.0933798 -0.4072222 -0.3462640 0.4361843 -0.7761108 0.4565916 13 Se -0.8620773 0.3595003 0.8613427 0.0933798 -0.4072222 0.3462640 0.4361843 0.7761108 0.4565916 14 Se -0.8620773 -0.3595003 0.8613427 -0.0933798 -0.4072222 -0.3462640 0.4361843 -0.7761108 0.4565916 15 Se -0.5286965 0.2490671 -0.3735400 0.1633159 -0.5692756 0.2171706 -0.0060962 -0.1810710 -1.1417437 16 Se -0.5286965 -0.2490671 -0.3735400 -0.1633159 -0.5692756 -0.2171706 -0.0060962 0.1810710 -1.1417437 17 Se -0.5286965 0.2490671 -0.3735400 0.1633159 -0.5692756 0.2171706 -0.0060962 -0.1810710 -1.1417437 18 Se -0.5286965 -0.2490671 -0.3735400 -0.1633159 -0.5692756 -0.2171706 -0.0060962 0.1810710 -1.1417437 19 Se -0.2848972 -0.2153786 -0.0847520 -0.0951992 -0.6491439 0.0320193 0.0085811 0.0538521 -0.7059526 20 Se -0.2848972 0.2153786 -0.0847520 0.0951992 -0.6491439 -0.0320193 0.0085811 -0.0538521 -0.7059526 21 Se -0.2848972 -0.2153786 -0.0847520 -0.0951992 -0.6491439 0.0320193 0.0085811 0.0538521 -0.7059526 22 Se -0.2848972 0.2153786 -0.0847520 0.0951992 -0.6491439 -0.0320193 0.0085811 -0.0538521 -0.7059526 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 10830/10830 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2279 Number of blocks in projector: 2279 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: 488 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 277 Use standard eigh solver. Tree of FC basis block matrices: - (2279, 2230), data: False |-- (277, 271), data: True |-- (277, 271), data: True |-- (277, 271), data: True |-- (480, 470), data: True |-- (480, 470), data: True |-- (488, 477), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.587 Solver_block: 200 / 720 - Time: 0.529 Solver_block: 300 / 720 - Time: 0.527 Solver_block: 400 / 720 - Time: 0.534 Solver_block: 500 / 720 - Time: 0.523 Solver_block: 600 / 720 - Time: 0.521 Solver_block: 700 / 720 - Time: 0.531 Solver_block: 720 / 720 - Time: 0.200 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.047 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 264/264 Permutation basis: 10830/10830 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2279 Number of blocks in projector: 2279 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: 488 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 277 Use standard eigh solver. Tree of FC basis block matrices: - (2279, 2230), data: False |-- (277, 271), data: True |-- (277, 271), data: True |-- (277, 271), data: True |-- (480, 470), data: True |-- (480, 470), data: True |-- (488, 477), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:35:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:35:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.709516407198176 -3.559036200000000 0.000000000000000 b 7.709516407198176 3.559036200000000 0.000000000000000 c -6.170880387377448 0.000000000000000 10.478564210971173 Atomic positions (fractional): 1 B 0.61032575041881 0.15530660744606 0.15302516865570 10.811 2 B 0.84469339255394 0.38967424958119 0.34697483134430 10.811 3 B 0.38967424958119 0.84469339255394 0.84697483134430 10.811 4 B 0.15530660744606 0.61032575041881 0.65302516865570 10.811 5 K 0.88317570492620 0.32575998990269 0.02169362410385 39.098 6 K 0.67424001009731 0.11682429507380 0.47830637589615 39.098 7 K 0.11682429507380 0.67424001009731 0.97830637589615 39.098 8 K 0.32575998990269 0.88317570492620 0.52169362410385 39.098 9 Se 0.54025643982998 0.45974356017002 0.25000000000000 78.960 10 Se 0.45974356017002 0.54025643982998 0.75000000000000 78.960 11 Se 0.43157015633385 0.82261635081473 0.01939146974988 78.960 12 Se 0.17738364918527 0.56842984366615 0.48060853025012 78.960 13 Se 0.56842984366615 0.17738364918527 0.98060853025012 78.960 14 Se 0.82261635081473 0.43157015633385 0.51939146974988 78.960 15 Se 0.38821029897833 0.14809300672337 0.17092592882399 78.960 16 Se 0.85190699327663 0.61178970102167 0.32907407117601 78.960 17 Se 0.61178970102167 0.85190699327663 0.82907407117601 78.960 18 Se 0.14809300672337 0.38821029897833 0.67092592882399 78.960 19 Se 0.90655281754720 0.92675526111879 0.23241488060073 78.960 20 Se 0.07324473888121 0.09344718245280 0.26758511939927 78.960 21 Se 0.09344718245280 0.07324473888121 0.76758511939927 78.960 22 Se 0.92675526111879 0.90655281754720 0.73241488060073 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.419032814396353 0.000000000000000 0.000000000000000 b 0.000000000000000 14.236144800000000 0.000000000000000 c -6.170880387377448 0.000000000000000 10.478564210971173 Atomic positions (fractional): 1 B 0.88281617893243 0.13624521425681 0.15302516865570 10.811 > 1 2 B 0.88281617893243 0.63624521425681 0.15302516865570 10.811 > 1 3 B 0.11718382106757 0.13624521425681 0.34697483134430 10.811 > 3 4 B 0.11718382106757 0.63624521425681 0.34697483134430 10.811 > 3 5 B 0.11718382106757 0.36375478574319 0.84697483134430 10.811 > 5 6 B 0.11718382106757 0.86375478574319 0.84697483134430 10.811 > 5 7 B 0.88281617893243 0.36375478574319 0.65302516865570 10.811 > 7 8 B 0.88281617893243 0.86375478574319 0.65302516865570 10.811 > 7 9 B 0.38281617893243 0.38624521425681 0.15302516865570 10.811 > 1 10 B 0.38281617893243 0.88624521425681 0.15302516865570 10.811 > 1 11 B 0.61718382106757 0.38624521425681 0.34697483134430 10.811 > 3 12 B 0.61718382106757 0.88624521425681 0.34697483134430 10.811 > 3 13 B 0.61718382106757 0.11375478574319 0.84697483134430 10.811 > 5 14 B 0.61718382106757 0.61375478574319 0.84697483134430 10.811 > 5 15 B 0.38281617893243 0.11375478574319 0.65302516865570 10.811 > 7 16 B 0.38281617893243 0.61375478574319 0.65302516865570 10.811 > 7 17 K 0.60446784741445 0.36064607124412 0.02169362410385 39.098 > 17 18 K 0.60446784741445 0.86064607124412 0.02169362410385 39.098 > 17 19 K 0.89553215258555 0.11064607124412 0.47830637589615 39.098 > 19 20 K 0.89553215258555 0.61064607124412 0.47830637589615 39.098 > 19 21 K 0.39553215258555 0.13935392875588 0.97830637589615 39.098 > 21 22 K 0.39553215258555 0.63935392875588 0.97830637589615 39.098 > 21 23 K 0.10446784741445 0.38935392875588 0.52169362410385 39.098 > 23 24 K 0.10446784741445 0.88935392875588 0.52169362410385 39.098 > 23 25 K 0.10446784741445 0.11064607124412 0.02169362410385 39.098 > 17 26 K 0.10446784741445 0.61064607124412 0.02169362410385 39.098 > 17 27 K 0.39553215258555 0.36064607124412 0.47830637589615 39.098 > 19 28 K 0.39553215258555 0.86064607124412 0.47830637589615 39.098 > 19 29 K 0.89553215258555 0.38935392875588 0.97830637589615 39.098 > 21 30 K 0.89553215258555 0.88935392875588 0.97830637589615 39.098 > 21 31 K 0.60446784741445 0.13935392875588 0.52169362410385 39.098 > 23 32 K 0.60446784741445 0.63935392875588 0.52169362410385 39.098 > 23 33 Se 0.00000000000000 0.22987178008501 0.25000000000000 78.960 > 33 34 Se 0.00000000000000 0.72987178008501 0.25000000000000 78.960 > 33 35 Se 0.00000000000000 0.27012821991499 0.75000000000000 78.960 > 35 36 Se 0.00000000000000 0.77012821991499 0.75000000000000 78.960 > 35 37 Se 0.62709325357429 0.09776154862022 0.01939146974988 78.960 > 37 38 Se 0.62709325357429 0.59776154862022 0.01939146974988 78.960 > 37 39 Se 0.87290674642571 0.34776154862022 0.48060853025012 78.960 > 39 40 Se 0.87290674642571 0.84776154862022 0.48060853025012 78.960 > 39 41 Se 0.37290674642571 0.40223845137978 0.98060853025012 78.960 > 41 42 Se 0.37290674642571 0.90223845137978 0.98060853025012 78.960 > 41 43 Se 0.12709325357429 0.15223845137978 0.51939146974988 78.960 > 43 44 Se 0.12709325357429 0.65223845137978 0.51939146974988 78.960 > 43 45 Se 0.76815165285085 0.18997067693626 0.17092592882399 78.960 > 45 46 Se 0.76815165285085 0.68997067693626 0.17092592882399 78.960 > 45 47 Se 0.73184834714915 0.43997067693626 0.32907407117601 78.960 > 47 48 Se 0.73184834714915 0.93997067693626 0.32907407117601 78.960 > 47 49 Se 0.23184834714915 0.31002932306374 0.82907407117601 78.960 > 49 50 Se 0.23184834714915 0.81002932306374 0.82907407117601 78.960 > 49 51 Se 0.26815165285085 0.06002932306374 0.67092592882399 78.960 > 51 52 Se 0.26815165285085 0.56002932306374 0.67092592882399 78.960 > 51 53 Se 0.91665403933300 0.00505061089290 0.23241488060073 78.960 > 53 54 Se 0.91665403933300 0.50505061089290 0.23241488060073 78.960 > 53 55 Se 0.08334596066700 0.00505061089290 0.26758511939927 78.960 > 55 56 Se 0.08334596066700 0.50505061089290 0.26758511939927 78.960 > 55 57 Se 0.08334596066700 0.49494938910710 0.76758511939927 78.960 > 57 58 Se 0.08334596066700 0.99494938910710 0.76758511939927 78.960 > 57 59 Se 0.91665403933300 0.49494938910710 0.73241488060073 78.960 > 59 60 Se 0.91665403933300 0.99494938910710 0.73241488060073 78.960 > 59 61 Se 0.50000000000000 0.47987178008501 0.25000000000000 78.960 > 33 62 Se 0.50000000000000 0.97987178008501 0.25000000000000 78.960 > 33 63 Se 0.50000000000000 0.02012821991499 0.75000000000000 78.960 > 35 64 Se 0.50000000000000 0.52012821991499 0.75000000000000 78.960 > 35 65 Se 0.12709325357429 0.34776154862022 0.01939146974988 78.960 > 37 66 Se 0.12709325357429 0.84776154862022 0.01939146974988 78.960 > 37 67 Se 0.37290674642571 0.09776154862022 0.48060853025012 78.960 > 39 68 Se 0.37290674642571 0.59776154862022 0.48060853025012 78.960 > 39 69 Se 0.87290674642571 0.15223845137978 0.98060853025012 78.960 > 41 70 Se 0.87290674642571 0.65223845137978 0.98060853025012 78.960 > 41 71 Se 0.62709325357429 0.40223845137978 0.51939146974988 78.960 > 43 72 Se 0.62709325357429 0.90223845137978 0.51939146974988 78.960 > 43 73 Se 0.26815165285085 0.43997067693626 0.17092592882399 78.960 > 45 74 Se 0.26815165285085 0.93997067693626 0.17092592882399 78.960 > 45 75 Se 0.23184834714915 0.18997067693626 0.32907407117601 78.960 > 47 76 Se 0.23184834714915 0.68997067693626 0.32907407117601 78.960 > 47 77 Se 0.73184834714915 0.06002932306374 0.82907407117601 78.960 > 49 78 Se 0.73184834714915 0.56002932306374 0.82907407117601 78.960 > 49 79 Se 0.76815165285085 0.31002932306374 0.67092592882399 78.960 > 51 80 Se 0.76815165285085 0.81002932306374 0.67092592882399 78.960 > 51 81 Se 0.41665403933300 0.25505061089290 0.23241488060073 78.960 > 53 82 Se 0.41665403933300 0.75505061089290 0.23241488060073 78.960 > 53 83 Se 0.58334596066700 0.25505061089290 0.26758511939927 78.960 > 55 84 Se 0.58334596066700 0.75505061089290 0.26758511939927 78.960 > 55 85 Se 0.58334596066700 0.24494938910710 0.76758511939927 78.960 > 57 86 Se 0.58334596066700 0.74494938910710 0.76758511939927 78.960 > 57 87 Se 0.41665403933300 0.24494938910710 0.73241488060073 78.960 > 59 88 Se 0.41665403933300 0.74494938910710 0.73241488060073 78.960 > 59 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.9587986 0.0000000 1.4154909 0.0000000 4.2244408 0.0000000 1.4154882 0.0000000 6.4812001 -------------------------- Born effective charges -------------------------- 1 B 1.0219176 -0.1608095 0.2474634 -0.0822912 0.5912254 -0.3018106 -0.0283673 -0.2889916 1.2250989 2 B 1.0219176 0.1608095 0.2474634 0.0822912 0.5912254 0.3018106 -0.0283673 0.2889916 1.2250989 3 B 1.0219176 -0.1608095 0.2474634 -0.0822912 0.5912254 -0.3018106 -0.0283673 -0.2889916 1.2250989 4 B 1.0219176 0.1608095 0.2474634 0.0822912 0.5912254 0.3018106 -0.0283673 0.2889916 1.2250989 5 K 1.1423712 -0.0553216 -0.0087551 -0.0179434 1.3952044 -0.0480514 -0.0701438 0.1113473 1.3619675 6 K 1.1423712 0.0553216 -0.0087551 0.0179434 1.3952044 0.0480514 -0.0701438 -0.1113473 1.3619675 7 K 1.1423712 -0.0553216 -0.0087551 -0.0179434 1.3952044 -0.0480514 -0.0701438 0.1113473 1.3619675 8 K 1.1423712 0.0553216 -0.0087551 0.0179434 1.3952044 0.0480514 -0.0701438 -0.1113473 1.3619675 9 Se -0.9772355 0.0000000 -1.2835181 0.0000000 -0.7215761 0.0000000 -0.6803163 0.0000000 -2.3919236 10 Se -0.9772355 0.0000000 -1.2835181 0.0000000 -0.7215761 0.0000000 -0.6803163 0.0000000 -2.3919236 11 Se -0.8620773 0.3595003 0.8613427 0.0933798 -0.4072222 0.3462640 0.4361843 0.7761108 0.4565916 12 Se -0.8620773 -0.3595003 0.8613427 -0.0933798 -0.4072222 -0.3462640 0.4361843 -0.7761108 0.4565916 13 Se -0.8620773 0.3595003 0.8613427 0.0933798 -0.4072222 0.3462640 0.4361843 0.7761108 0.4565916 14 Se -0.8620773 -0.3595003 0.8613427 -0.0933798 -0.4072222 -0.3462640 0.4361843 -0.7761108 0.4565916 15 Se -0.5286965 0.2490671 -0.3735400 0.1633159 -0.5692756 0.2171706 -0.0060962 -0.1810710 -1.1417437 16 Se -0.5286965 -0.2490671 -0.3735400 -0.1633159 -0.5692756 -0.2171706 -0.0060962 0.1810710 -1.1417437 17 Se -0.5286965 0.2490671 -0.3735400 0.1633159 -0.5692756 0.2171706 -0.0060962 -0.1810710 -1.1417437 18 Se -0.5286965 -0.2490671 -0.3735400 -0.1633159 -0.5692756 -0.2171706 -0.0060962 0.1810710 -1.1417437 19 Se -0.2848972 -0.2153786 -0.0847520 -0.0951992 -0.6491439 0.0320193 0.0085811 0.0538521 -0.7059526 20 Se -0.2848972 0.2153786 -0.0847520 0.0951992 -0.6491439 -0.0320193 0.0085811 -0.0538521 -0.7059526 21 Se -0.2848972 -0.2153786 -0.0847520 -0.0951992 -0.6491439 0.0320193 0.0085811 0.0538521 -0.7059526 22 Se -0.2848972 0.2153786 -0.0847520 0.0951992 -0.6491439 -0.0320193 0.0085811 -0.0538521 -0.7059526 ---------------------------------------------------------------------------- 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 45, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 53, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:35:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:35:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.709516407198176 -3.559036200000000 0.000000000000000 b 7.709516407198176 3.559036200000000 0.000000000000000 c -6.170880387377448 0.000000000000000 10.478564210971173 Atomic positions (fractional): 1 B 0.61032575041881 0.15530660744606 0.15302516865570 10.811 2 B 0.84469339255394 0.38967424958119 0.34697483134430 10.811 3 B 0.38967424958119 0.84469339255394 0.84697483134430 10.811 4 B 0.15530660744606 0.61032575041881 0.65302516865570 10.811 5 K 0.88317570492620 0.32575998990269 0.02169362410385 39.098 6 K 0.67424001009731 0.11682429507380 0.47830637589615 39.098 7 K 0.11682429507380 0.67424001009731 0.97830637589615 39.098 8 K 0.32575998990269 0.88317570492620 0.52169362410385 39.098 9 Se 0.54025643982998 0.45974356017002 0.25000000000000 78.960 10 Se 0.45974356017002 0.54025643982998 0.75000000000000 78.960 11 Se 0.43157015633385 0.82261635081473 0.01939146974988 78.960 12 Se 0.17738364918527 0.56842984366615 0.48060853025012 78.960 13 Se 0.56842984366615 0.17738364918527 0.98060853025012 78.960 14 Se 0.82261635081473 0.43157015633385 0.51939146974988 78.960 15 Se 0.38821029897833 0.14809300672337 0.17092592882399 78.960 16 Se 0.85190699327663 0.61178970102167 0.32907407117601 78.960 17 Se 0.61178970102167 0.85190699327663 0.82907407117601 78.960 18 Se 0.14809300672337 0.38821029897833 0.67092592882399 78.960 19 Se 0.90655281754720 0.92675526111879 0.23241488060073 78.960 20 Se 0.07324473888121 0.09344718245280 0.26758511939927 78.960 21 Se 0.09344718245280 0.07324473888121 0.76758511939927 78.960 22 Se 0.92675526111879 0.90655281754720 0.73241488060073 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.419032814396353 0.000000000000000 0.000000000000000 b 0.000000000000000 14.236144800000000 0.000000000000000 c -6.170880387377448 0.000000000000000 10.478564210971173 Atomic positions (fractional): 1 B 0.88281617893243 0.13624521425681 0.15302516865570 10.811 > 1 2 B 0.88281617893243 0.63624521425681 0.15302516865570 10.811 > 1 3 B 0.11718382106757 0.13624521425681 0.34697483134430 10.811 > 3 4 B 0.11718382106757 0.63624521425681 0.34697483134430 10.811 > 3 5 B 0.11718382106757 0.36375478574319 0.84697483134430 10.811 > 5 6 B 0.11718382106757 0.86375478574319 0.84697483134430 10.811 > 5 7 B 0.88281617893243 0.36375478574319 0.65302516865570 10.811 > 7 8 B 0.88281617893243 0.86375478574319 0.65302516865570 10.811 > 7 9 B 0.38281617893243 0.38624521425681 0.15302516865570 10.811 > 1 10 B 0.38281617893243 0.88624521425681 0.15302516865570 10.811 > 1 11 B 0.61718382106757 0.38624521425681 0.34697483134430 10.811 > 3 12 B 0.61718382106757 0.88624521425681 0.34697483134430 10.811 > 3 13 B 0.61718382106757 0.11375478574319 0.84697483134430 10.811 > 5 14 B 0.61718382106757 0.61375478574319 0.84697483134430 10.811 > 5 15 B 0.38281617893243 0.11375478574319 0.65302516865570 10.811 > 7 16 B 0.38281617893243 0.61375478574319 0.65302516865570 10.811 > 7 17 K 0.60446784741445 0.36064607124412 0.02169362410385 39.098 > 17 18 K 0.60446784741445 0.86064607124412 0.02169362410385 39.098 > 17 19 K 0.89553215258555 0.11064607124412 0.47830637589615 39.098 > 19 20 K 0.89553215258555 0.61064607124412 0.47830637589615 39.098 > 19 21 K 0.39553215258555 0.13935392875588 0.97830637589615 39.098 > 21 22 K 0.39553215258555 0.63935392875588 0.97830637589615 39.098 > 21 23 K 0.10446784741445 0.38935392875588 0.52169362410385 39.098 > 23 24 K 0.10446784741445 0.88935392875588 0.52169362410385 39.098 > 23 25 K 0.10446784741445 0.11064607124412 0.02169362410385 39.098 > 17 26 K 0.10446784741445 0.61064607124412 0.02169362410385 39.098 > 17 27 K 0.39553215258555 0.36064607124412 0.47830637589615 39.098 > 19 28 K 0.39553215258555 0.86064607124412 0.47830637589615 39.098 > 19 29 K 0.89553215258555 0.38935392875588 0.97830637589615 39.098 > 21 30 K 0.89553215258555 0.88935392875588 0.97830637589615 39.098 > 21 31 K 0.60446784741445 0.13935392875588 0.52169362410385 39.098 > 23 32 K 0.60446784741445 0.63935392875588 0.52169362410385 39.098 > 23 33 Se 0.00000000000000 0.22987178008501 0.25000000000000 78.960 > 33 34 Se 0.00000000000000 0.72987178008501 0.25000000000000 78.960 > 33 35 Se 0.00000000000000 0.27012821991499 0.75000000000000 78.960 > 35 36 Se 0.00000000000000 0.77012821991499 0.75000000000000 78.960 > 35 37 Se 0.62709325357429 0.09776154862022 0.01939146974988 78.960 > 37 38 Se 0.62709325357429 0.59776154862022 0.01939146974988 78.960 > 37 39 Se 0.87290674642571 0.34776154862022 0.48060853025012 78.960 > 39 40 Se 0.87290674642571 0.84776154862022 0.48060853025012 78.960 > 39 41 Se 0.37290674642571 0.40223845137978 0.98060853025012 78.960 > 41 42 Se 0.37290674642571 0.90223845137978 0.98060853025012 78.960 > 41 43 Se 0.12709325357429 0.15223845137978 0.51939146974988 78.960 > 43 44 Se 0.12709325357429 0.65223845137978 0.51939146974988 78.960 > 43 45 Se 0.76815165285085 0.18997067693626 0.17092592882399 78.960 > 45 46 Se 0.76815165285085 0.68997067693626 0.17092592882399 78.960 > 45 47 Se 0.73184834714915 0.43997067693626 0.32907407117601 78.960 > 47 48 Se 0.73184834714915 0.93997067693626 0.32907407117601 78.960 > 47 49 Se 0.23184834714915 0.31002932306374 0.82907407117601 78.960 > 49 50 Se 0.23184834714915 0.81002932306374 0.82907407117601 78.960 > 49 51 Se 0.26815165285085 0.06002932306374 0.67092592882399 78.960 > 51 52 Se 0.26815165285085 0.56002932306374 0.67092592882399 78.960 > 51 53 Se 0.91665403933300 0.00505061089290 0.23241488060073 78.960 > 53 54 Se 0.91665403933300 0.50505061089290 0.23241488060073 78.960 > 53 55 Se 0.08334596066700 0.00505061089290 0.26758511939927 78.960 > 55 56 Se 0.08334596066700 0.50505061089290 0.26758511939927 78.960 > 55 57 Se 0.08334596066700 0.49494938910710 0.76758511939927 78.960 > 57 58 Se 0.08334596066700 0.99494938910710 0.76758511939927 78.960 > 57 59 Se 0.91665403933300 0.49494938910710 0.73241488060073 78.960 > 59 60 Se 0.91665403933300 0.99494938910710 0.73241488060073 78.960 > 59 61 Se 0.50000000000000 0.47987178008501 0.25000000000000 78.960 > 33 62 Se 0.50000000000000 0.97987178008501 0.25000000000000 78.960 > 33 63 Se 0.50000000000000 0.02012821991499 0.75000000000000 78.960 > 35 64 Se 0.50000000000000 0.52012821991499 0.75000000000000 78.960 > 35 65 Se 0.12709325357429 0.34776154862022 0.01939146974988 78.960 > 37 66 Se 0.12709325357429 0.84776154862022 0.01939146974988 78.960 > 37 67 Se 0.37290674642571 0.09776154862022 0.48060853025012 78.960 > 39 68 Se 0.37290674642571 0.59776154862022 0.48060853025012 78.960 > 39 69 Se 0.87290674642571 0.15223845137978 0.98060853025012 78.960 > 41 70 Se 0.87290674642571 0.65223845137978 0.98060853025012 78.960 > 41 71 Se 0.62709325357429 0.40223845137978 0.51939146974988 78.960 > 43 72 Se 0.62709325357429 0.90223845137978 0.51939146974988 78.960 > 43 73 Se 0.26815165285085 0.43997067693626 0.17092592882399 78.960 > 45 74 Se 0.26815165285085 0.93997067693626 0.17092592882399 78.960 > 45 75 Se 0.23184834714915 0.18997067693626 0.32907407117601 78.960 > 47 76 Se 0.23184834714915 0.68997067693626 0.32907407117601 78.960 > 47 77 Se 0.73184834714915 0.06002932306374 0.82907407117601 78.960 > 49 78 Se 0.73184834714915 0.56002932306374 0.82907407117601 78.960 > 49 79 Se 0.76815165285085 0.31002932306374 0.67092592882399 78.960 > 51 80 Se 0.76815165285085 0.81002932306374 0.67092592882399 78.960 > 51 81 Se 0.41665403933300 0.25505061089290 0.23241488060073 78.960 > 53 82 Se 0.41665403933300 0.75505061089290 0.23241488060073 78.960 > 53 83 Se 0.58334596066700 0.25505061089290 0.26758511939927 78.960 > 55 84 Se 0.58334596066700 0.75505061089290 0.26758511939927 78.960 > 55 85 Se 0.58334596066700 0.24494938910710 0.76758511939927 78.960 > 57 86 Se 0.58334596066700 0.74494938910710 0.76758511939927 78.960 > 57 87 Se 0.41665403933300 0.24494938910710 0.73241488060073 78.960 > 59 88 Se 0.41665403933300 0.74494938910710 0.73241488060073 78.960 > 59 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.9587986 0.0000000 1.4154909 0.0000000 4.2244408 0.0000000 1.4154882 0.0000000 6.4812001 -------------------------- Born effective charges -------------------------- 1 B 1.0219176 -0.1608095 0.2474634 -0.0822912 0.5912254 -0.3018106 -0.0283673 -0.2889916 1.2250989 2 B 1.0219176 0.1608095 0.2474634 0.0822912 0.5912254 0.3018106 -0.0283673 0.2889916 1.2250989 3 B 1.0219176 -0.1608095 0.2474634 -0.0822912 0.5912254 -0.3018106 -0.0283673 -0.2889916 1.2250989 4 B 1.0219176 0.1608095 0.2474634 0.0822912 0.5912254 0.3018106 -0.0283673 0.2889916 1.2250989 5 K 1.1423712 -0.0553216 -0.0087551 -0.0179434 1.3952044 -0.0480514 -0.0701438 0.1113473 1.3619675 6 K 1.1423712 0.0553216 -0.0087551 0.0179434 1.3952044 0.0480514 -0.0701438 -0.1113473 1.3619675 7 K 1.1423712 -0.0553216 -0.0087551 -0.0179434 1.3952044 -0.0480514 -0.0701438 0.1113473 1.3619675 8 K 1.1423712 0.0553216 -0.0087551 0.0179434 1.3952044 0.0480514 -0.0701438 -0.1113473 1.3619675 9 Se -0.9772355 0.0000000 -1.2835181 0.0000000 -0.7215761 0.0000000 -0.6803163 0.0000000 -2.3919236 10 Se -0.9772355 0.0000000 -1.2835181 0.0000000 -0.7215761 0.0000000 -0.6803163 0.0000000 -2.3919236 11 Se -0.8620773 0.3595003 0.8613427 0.0933798 -0.4072222 0.3462640 0.4361843 0.7761108 0.4565916 12 Se -0.8620773 -0.3595003 0.8613427 -0.0933798 -0.4072222 -0.3462640 0.4361843 -0.7761108 0.4565916 13 Se -0.8620773 0.3595003 0.8613427 0.0933798 -0.4072222 0.3462640 0.4361843 0.7761108 0.4565916 14 Se -0.8620773 -0.3595003 0.8613427 -0.0933798 -0.4072222 -0.3462640 0.4361843 -0.7761108 0.4565916 15 Se -0.5286965 0.2490671 -0.3735400 0.1633159 -0.5692756 0.2171706 -0.0060962 -0.1810710 -1.1417437 16 Se -0.5286965 -0.2490671 -0.3735400 -0.1633159 -0.5692756 -0.2171706 -0.0060962 0.1810710 -1.1417437 17 Se -0.5286965 0.2490671 -0.3735400 0.1633159 -0.5692756 0.2171706 -0.0060962 -0.1810710 -1.1417437 18 Se -0.5286965 -0.2490671 -0.3735400 -0.1633159 -0.5692756 -0.2171706 -0.0060962 0.1810710 -1.1417437 19 Se -0.2848972 -0.2153786 -0.0847520 -0.0951992 -0.6491439 0.0320193 0.0085811 0.0538521 -0.7059526 20 Se -0.2848972 0.2153786 -0.0847520 0.0951992 -0.6491439 -0.0320193 0.0085811 -0.0538521 -0.7059526 21 Se -0.2848972 -0.2153786 -0.0847520 -0.0951992 -0.6491439 0.0320193 0.0085811 0.0538521 -0.7059526 22 Se -0.2848972 0.2153786 -0.0847520 0.0951992 -0.6491439 -0.0320193 0.0085811 -0.0538521 -0.7059526 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.50, Number of G-points: 303, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/93) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.857 ( 0.000 0.000 0.000) 0.000 1.114 ( 0.000 0.000 0.000) 0.000 1.390 ( 0.000 0.000 0.000) 0.000 1.559 ( 0.000 0.000 0.000) 0.000 1.633 ( 0.000 0.000 0.000) 0.000 1.751 ( 0.000 0.000 0.000) 0.000 1.849 ( 0.000 0.000 0.000) 0.000 1.875 ( 0.000 0.000 0.000) 0.000 2.064 ( 0.000 0.000 0.000) 0.000 2.149 ( 0.000 0.000 0.000) 0.000 2.161 ( 0.000 0.000 0.000) 0.000 2.248 ( 0.000 0.000 0.000) 0.000 2.514 ( 0.000 0.000 0.000) 0.000 2.565 ( 0.000 0.000 0.000) 0.000 2.597 ( 0.000 0.000 0.000) 0.000 2.755 ( 0.000 0.000 0.000) 0.000 2.786 ( 0.000 0.000 0.000) 0.000 2.872 ( 0.000 0.000 0.000) 0.000 2.940 ( 0.000 0.000 0.000) 0.000 3.001 ( 0.000 0.000 0.000) 0.000 3.004 ( 0.000 0.000 0.000) 0.000 3.211 ( 0.000 0.000 0.000) 0.000 3.314 ( 0.000 0.000 0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.504 ( 0.000 0.000 0.000) 0.000 3.555 ( 0.000 0.000 0.000) 0.000 3.576 ( 0.000 0.000 0.000) 0.000 3.691 ( 0.000 0.000 0.000) 0.000 3.870 ( 0.000 0.000 0.000) 0.000 3.947 ( 0.000 0.000 0.000) 0.000 4.063 ( 0.000 0.000 0.000) 0.000 4.140 ( 0.000 0.000 0.000) 0.000 4.192 ( 0.000 0.000 0.000) 0.000 4.415 ( 0.000 0.000 0.000) 0.000 4.545 ( 0.000 0.000 0.000) 0.000 4.735 ( 0.000 0.000 0.000) 0.000 4.900 ( 0.000 0.000 0.000) 0.000 5.096 ( 0.000 0.000 0.000) 0.000 5.482 ( 0.000 0.000 0.000) 0.000 5.783 ( 0.000 0.000 0.000) 0.000 6.024 ( 0.000 0.000 0.000) 0.000 6.528 ( 0.000 0.000 0.000) 0.000 6.583 ( 0.000 0.000 0.000) 0.000 6.737 ( 0.000 0.000 0.000) 0.000 6.940 ( 0.000 0.000 0.000) 0.000 7.358 ( 0.000 0.000 0.000) 0.000 7.413 ( 0.000 0.000 0.000) 0.000 7.618 ( 0.000 0.000 0.000) 0.000 7.678 ( 0.000 0.000 0.000) 0.000 7.909 ( 0.000 0.000 0.000) 0.000 7.917 ( 0.000 0.000 0.000) 0.000 16.315 ( 0.000 0.000 0.000) 0.000 16.340 ( 0.000 0.000 0.000) 0.000 17.093 ( 0.000 0.000 0.000) 0.000 17.211 ( 0.000 0.000 0.000) 0.000 17.865 ( 0.000 0.000 0.000) 0.000 17.936 ( 0.000 0.000 0.000) 0.000 18.957 ( 0.000 0.000 0.000) 0.000 19.084 ( 0.000 0.000 0.000) 0.000 19.162 ( 0.000 0.000 0.000) 0.000 19.248 ( 0.000 0.000 0.000) 0.000 19.727 ( 0.000 0.000 0.000) 0.000 20.253 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/93) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.259 ( 10.583 -9.712 -0.430) 14.371 0.320 ( 11.639 -10.727 6.092) 16.960 0.514 ( 17.391 -15.007 16.962) 28.555 0.865 ( 2.193 0.756 2.994) 3.787 1.116 ( -2.052 -1.920 -2.596) 3.825 1.368 ( -3.537 0.088 -1.477) 3.834 1.509 ( -2.241 3.316 -1.515) 4.279 1.672 ( 4.121 1.079 1.388) 4.481 1.733 ( -2.123 1.843 -1.226) 3.067 1.805 ( 0.187 3.763 2.207) 4.367 1.846 ( -0.245 2.684 -3.083) 4.095 2.048 ( -2.023 0.022 -0.078) 2.024 2.134 ( -0.983 3.495 3.426) 4.992 2.249 ( 2.897 -0.547 -4.030) 4.993 2.257 ( 1.338 -1.546 -0.225) 2.057 2.493 ( -0.834 -0.420 -1.020) 1.383 2.582 ( 4.714 1.412 2.508) 5.523 2.628 ( -3.538 -3.036 -2.826) 5.452 2.729 ( 1.020 6.909 -0.741) 7.024 2.751 ( -9.303 -1.581 -1.625) 9.575 2.886 ( -0.426 -1.608 -3.649) 4.011 3.016 ( 2.641 -2.383 0.138) 3.560 3.058 ( 1.747 -5.212 -1.673) 5.746 3.190 ( -1.433 -5.534 1.674) 5.957 3.202 ( 0.158 -2.046 -2.956) 3.598 3.298 ( -0.226 0.115 -2.527) 2.540 3.370 ( 0.981 -1.419 -1.974) 2.622 3.474 ( -2.916 -0.266 -5.552) 6.277 3.525 ( -1.454 2.098 -2.609) 3.650 3.575 ( -0.604 -0.366 1.210) 1.402 3.717 ( 2.990 0.949 5.845) 6.634 3.864 ( -0.470 1.254 1.653) 2.127 3.972 ( 2.568 4.305 6.122) 7.913 4.138 ( -1.869 0.129 0.671) 1.990 4.183 ( -2.054 -0.821 -0.954) 2.410 4.245 ( -6.538 -2.388 -0.734) 6.999 4.419 ( 1.436 0.301 1.196) 1.893 4.567 ( -0.784 -1.204 -0.840) 1.664 4.740 ( 2.436 1.361 2.596) 3.811 4.907 ( -0.835 -1.301 -1.294) 2.016 5.116 ( 2.403 -0.451 2.544) 3.528 5.468 ( -1.804 0.194 -1.943) 2.659 5.790 ( 0.673 0.059 0.909) 1.132 6.014 ( -1.485 0.295 -1.390) 2.055 6.531 ( 0.050 -0.302 0.237) 0.387 6.580 ( -0.675 -0.101 -0.333) 0.760 6.764 ( 2.919 1.052 3.126) 4.404 6.934 ( -0.663 0.143 -0.939) 1.159 7.360 ( 0.328 0.120 0.536) 0.639 7.421 ( -0.070 0.966 2.193) 2.398 7.619 ( 0.357 0.209 0.419) 0.589 7.674 ( -0.284 0.175 -0.344) 0.479 7.908 ( 0.063 0.103 0.031) 0.125 7.916 ( 0.018 0.144 -0.036) 0.150 16.323 ( 0.071 -0.682 0.304) 0.750 16.390 ( 2.951 3.084 7.016) 8.213 17.081 ( 0.493 1.563 0.253) 1.658 17.198 ( -0.150 1.611 -0.362) 1.658 17.883 ( 1.128 0.343 0.945) 1.511 17.942 ( 0.249 -0.365 0.251) 0.508 18.966 ( 1.213 -0.256 0.476) 1.328 19.081 ( -1.193 -0.360 -0.874) 1.522 19.202 ( -1.635 -0.276 0.623) 1.772 19.262 ( 3.067 -0.216 -4.119) 5.140 19.745 ( 0.751 -0.972 2.461) 2.750 20.235 ( -3.625 1.181 -2.502) 4.560 ======================= Grid point 2 (3/93) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( 9.459 -8.270 0.960) 12.601 0.615 ( 9.942 -9.822 4.386) 14.648 0.902 ( 4.485 -0.091 4.465) 6.329 0.936 ( 12.990 -9.374 11.835) 19.917 1.129 ( -1.713 -2.820 -1.049) 3.462 1.331 ( -2.479 0.441 -0.577) 2.583 1.407 ( -4.853 2.998 -4.699) 7.390 1.608 ( -3.291 4.960 -5.898) 8.380 1.642 ( -3.407 3.851 -0.564) 5.172 1.753 ( -1.174 2.833 1.921) 3.618 1.838 ( 8.244 3.794 7.701) 11.902 2.027 ( -0.097 3.144 0.646) 3.211 2.076 ( -0.154 0.434 -0.407) 0.615 2.285 ( -1.272 -3.712 -0.941) 4.035 2.305 ( -1.648 -3.662 -1.390) 4.250 2.489 ( -2.686 1.859 1.412) 3.558 2.577 ( -7.692 -1.077 -6.338) 10.025 2.594 ( 5.935 3.493 2.119) 7.205 2.663 ( 1.054 1.239 0.448) 1.687 2.715 ( -4.273 -2.926 -4.352) 6.765 2.892 ( -0.880 -1.507 -2.512) 3.059 2.999 ( 1.954 4.565 -2.089) 5.387 3.168 ( 1.815 -3.633 -2.300) 4.667 3.225 ( 3.631 -0.545 1.222) 3.870 3.273 ( 1.518 -2.808 1.055) 3.362 3.371 ( -2.002 -6.077 -2.030) 6.713 3.392 ( 1.034 -1.594 -5.266) 5.598 3.407 ( -0.777 0.561 -1.224) 1.555 3.488 ( 0.007 -0.392 -0.421) 0.576 3.595 ( -0.167 -1.461 2.537) 2.932 3.739 ( 2.050 1.918 4.447) 5.259 3.837 ( -0.319 2.225 1.810) 2.886 3.927 ( -0.655 3.906 3.452) 5.254 4.091 ( -5.203 1.757 0.286) 5.500 4.195 ( -2.223 -2.603 -2.406) 4.184 4.225 ( -2.401 -0.127 -0.801) 2.534 4.443 ( 2.009 -0.432 2.108) 2.944 4.579 ( -0.347 -0.749 -0.688) 1.074 4.754 ( 3.650 1.369 3.805) 5.447 4.912 ( -1.824 -1.425 -2.491) 3.400 5.170 ( 4.210 -0.491 4.592) 6.249 5.429 ( -3.335 0.255 -3.694) 4.983 5.805 ( 1.722 0.076 2.094) 2.712 5.981 ( -2.640 0.347 -2.964) 3.984 6.540 ( 0.103 -0.417 0.388) 0.579 6.574 ( -0.860 -0.130 -0.486) 0.996 6.791 ( 3.022 0.398 2.953) 4.245 6.916 ( -1.301 0.191 -1.760) 2.197 7.364 ( 0.601 0.172 0.893) 1.090 7.411 ( -0.522 0.528 0.276) 0.792 7.621 ( 0.627 0.309 0.744) 1.021 7.664 ( -0.544 0.254 -0.653) 0.887 7.907 ( 0.094 0.142 0.046) 0.176 7.912 ( 0.025 0.203 -0.051) 0.211 16.341 ( 0.080 -1.057 0.379) 1.125 16.393 ( 1.053 1.045 2.533) 2.936 17.053 ( 0.727 2.188 0.405) 2.342 17.157 ( -0.108 2.513 -0.493) 2.563 17.893 ( 0.060 -0.573 0.139) 0.592 17.954 ( 0.317 -0.512 0.323) 0.683 18.986 ( 1.670 -0.198 0.649) 1.803 19.066 ( -1.828 -0.032 -1.628) 2.448 19.206 ( 1.844 0.442 1.855) 2.653 19.272 ( 1.262 -0.695 -2.600) 2.972 19.792 ( 1.625 -1.390 3.966) 4.505 20.151 ( -5.099 2.317 -3.594) 6.654 ======================= Grid point 3 (4/93) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 6.411 -5.416 1.892) 8.603 0.859 ( 7.579 -7.962 2.035) 11.179 0.958 ( 2.399 -0.320 3.472) 4.232 1.106 ( 1.338 -2.859 -2.543) 4.053 1.206 ( 5.391 1.361 7.335) 9.204 1.296 ( -6.042 0.504 -5.121) 7.936 1.310 ( -0.018 1.205 1.850) 2.208 1.465 ( -3.474 2.644 -7.069) 8.308 1.585 ( -2.648 0.598 2.038) 3.395 1.685 ( -1.995 3.020 -0.388) 3.640 1.899 ( 10.452 4.155 12.902) 17.116 1.971 ( 1.907 2.266 1.813) 3.473 2.106 ( -0.259 -3.609 -4.425) 5.716 2.297 ( -6.059 0.344 -4.610) 7.621 2.306 ( -4.435 -0.150 -2.606) 5.146 2.407 ( -4.139 1.720 1.898) 4.868 2.548 ( -3.172 -5.203 -3.332) 6.945 2.626 ( 4.438 -0.026 2.661) 5.175 2.667 ( 0.269 0.201 0.010) 0.337 2.730 ( 1.016 -1.363 -2.094) 2.698 2.874 ( 0.602 3.952 -3.822) 5.531 2.941 ( -0.334 -0.319 2.304) 2.350 3.177 ( 3.697 3.264 -0.755) 4.989 3.243 ( -3.523 -0.579 -4.669) 5.878 3.281 ( -2.490 -0.111 -4.860) 5.462 3.386 ( 3.993 -3.556 2.824) 6.046 3.408 ( 0.688 -1.371 -3.309) 3.648 3.500 ( 0.386 -0.441 -0.283) 0.651 3.544 ( 3.404 -4.804 4.531) 7.430 3.651 ( 0.132 -3.020 1.975) 3.611 3.726 ( 0.521 2.069 1.972) 2.905 3.807 ( -0.661 1.486 1.946) 2.536 3.875 ( -0.575 2.710 2.918) 4.024 4.008 ( -5.210 2.137 -1.903) 5.944 4.175 ( -2.995 0.043 -2.549) 3.933 4.232 ( 0.547 -0.812 0.022) 0.979 4.482 ( 2.118 -0.758 2.331) 3.240 4.570 ( -1.337 0.394 -1.498) 2.046 4.794 ( 4.140 0.076 4.452) 6.080 4.899 ( -2.717 -0.724 -3.432) 4.436 5.239 ( 4.941 -0.202 5.524) 7.414 5.373 ( -4.382 0.149 -4.962) 6.621 5.836 ( 2.694 -0.142 3.111) 4.118 5.934 ( -3.273 0.401 -3.670) 4.934 6.550 ( 0.188 -0.314 0.433) 0.567 6.567 ( -0.661 -0.059 -0.485) 0.822 6.824 ( 2.912 0.176 2.987) 4.176 6.890 ( -1.925 0.111 -2.400) 3.079 7.372 ( 0.770 0.101 0.997) 1.263 7.398 ( -0.752 0.304 -0.507) 0.956 7.626 ( 0.721 0.235 0.860) 1.147 7.652 ( -0.676 0.178 -0.807) 1.067 7.906 ( 0.070 0.097 0.035) 0.125 7.909 ( 0.017 0.143 -0.038) 0.149 16.362 ( 0.036 -0.989 0.214) 1.012 16.393 ( 0.376 0.588 0.911) 1.147 17.026 ( 0.553 1.506 0.344) 1.641 17.112 ( -0.095 1.919 -0.404) 1.963 17.903 ( -0.149 -0.520 -0.044) 0.543 17.965 ( 0.220 -0.374 0.215) 0.484 19.001 ( 1.061 0.151 0.358) 1.130 19.046 ( -1.031 0.016 -1.128) 1.529 19.230 ( 2.241 0.103 2.413) 3.295 19.278 ( 0.003 -0.623 -2.304) 2.387 19.854 ( 2.695 -1.304 4.290) 5.231 20.049 ( -5.162 2.120 -4.055) 6.898 ======================= Grid point 4 (5/93) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 0.000 -0.000 -0.000) 0.000 0.972 ( -0.000 -0.000 -0.000) 0.000 1.002 ( -0.000 -0.000 -0.000) 0.000 1.129 ( 0.000 -0.000 0.000) 0.000 1.161 ( 0.000 -0.000 -0.000) 0.000 1.279 ( 0.000 -0.000 -0.000) 0.000 1.310 ( 0.000 -0.000 0.000) 0.000 1.418 ( 0.000 -0.000 -0.000) 0.000 1.567 ( -0.000 -0.000 0.000) 0.000 1.650 ( 0.000 -0.000 -0.000) 0.000 1.915 ( 0.000 -0.000 -0.000) 0.000 2.044 ( -0.000 -0.000 -0.000) 0.000 2.108 ( -0.000 -0.000 -0.000) 0.000 2.207 ( 0.000 -0.000 0.000) 0.000 2.267 ( 0.000 -0.000 0.000) 0.000 2.394 ( 0.000 -0.000 -0.000) 0.000 2.613 ( 0.000 0.000 -0.000) 0.000 2.657 ( -0.000 -0.000 0.000) 0.000 2.658 ( 0.000 0.000 -0.000) 0.000 2.732 ( -0.000 -0.000 0.000) 0.000 2.812 ( 0.000 -0.000 0.000) 0.000 2.971 ( 0.000 -0.000 -0.000) 0.000 3.141 ( 0.000 -0.000 0.000) 0.000 3.196 ( -0.000 -0.000 -0.000) 0.000 3.289 ( 0.000 -0.000 -0.000) 0.000 3.416 ( 0.000 0.000 0.000) 0.000 3.449 ( 0.000 -0.000 -0.000) 0.000 3.497 ( 0.000 -0.000 0.000) 0.000 3.641 ( -0.000 0.000 -0.000) 0.000 3.654 ( 0.000 -0.000 0.000) 0.000 3.729 ( 0.000 -0.000 -0.000) 0.000 3.795 ( 0.000 -0.000 0.000) 0.000 3.861 ( 0.000 -0.000 0.000) 0.000 3.947 ( 0.000 -0.000 0.000) 0.000 4.153 ( 0.000 -0.000 0.000) 0.000 4.242 ( 0.000 -0.000 0.000) 0.000 4.515 ( 0.000 -0.000 0.000) 0.000 4.545 ( -0.000 -0.000 -0.000) 0.000 4.837 ( 0.000 -0.000 0.000) 0.000 4.872 ( -0.000 -0.000 -0.000) 0.000 5.307 ( 0.000 -0.000 0.000) 0.000 5.308 ( -0.000 -0.000 -0.000) 0.000 5.880 ( 0.000 -0.000 0.000) 0.000 5.883 ( -0.000 -0.000 -0.000) 0.000 6.556 ( 0.000 -0.000 0.000) 0.000 6.562 ( -0.000 -0.000 -0.000) 0.000 6.858 ( 0.000 -0.000 0.000) 0.000 6.860 ( -0.000 -0.000 -0.000) 0.000 7.380 ( -0.000 -0.000 -0.000) 0.000 7.387 ( 0.000 -0.000 0.000) 0.000 7.630 ( -0.000 -0.000 -0.000) 0.000 7.644 ( 0.000 -0.000 0.000) 0.000 7.905 ( 0.000 -0.000 0.000) 0.000 7.908 ( 0.000 -0.000 -0.000) 0.000 16.373 ( 0.000 -0.000 0.000) 0.000 16.390 ( 0.000 -0.000 -0.000) 0.000 17.016 ( 0.000 -0.000 0.000) 0.000 17.093 ( 0.000 -0.000 0.000) 0.000 17.907 ( 0.000 -0.000 0.000) 0.000 17.970 ( 0.000 -0.000 0.000) 0.000 19.003 ( 0.000 -0.000 0.000) 0.000 19.040 ( 0.000 -0.000 -0.000) 0.000 19.249 ( -0.000 -0.000 -0.000) 0.000 19.275 ( 0.000 -0.000 0.000) 0.000 19.904 ( 0.000 -0.000 -0.000) 0.000 19.981 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/93) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.223 ( 10.343 -0.000 7.045) 12.515 0.326 ( 14.293 -0.000 8.182) 16.469 0.747 ( 30.045 -0.000 22.265) 37.396 0.908 ( 2.797 -0.000 3.345) 4.360 1.061 ( -2.457 0.000 -4.298) 4.951 1.330 ( -3.441 0.000 -0.657) 3.504 1.494 ( -7.721 0.000 -4.027) 8.708 1.722 ( 4.195 -0.000 0.644) 4.244 1.743 ( -1.011 0.000 -5.056) 5.156 1.818 ( -2.290 0.000 -2.898) 3.693 1.908 ( 7.086 -0.000 6.037) 9.309 2.042 ( -1.859 0.000 -2.454) 3.078 2.096 ( -5.703 0.000 -0.170) 5.705 2.274 ( 2.292 -0.000 -0.962) 2.486 2.288 ( 0.846 -0.000 -0.308) 0.900 2.473 ( -2.922 0.000 -8.091) 8.603 2.504 ( -6.585 0.000 -4.216) 7.819 2.642 ( -9.074 0.000 -3.624) 9.771 2.674 ( 7.891 -0.000 4.685) 9.177 2.732 ( -1.679 0.000 0.056) 1.680 2.956 ( 6.191 -0.000 -0.228) 6.195 2.969 ( 2.187 -0.000 1.820) 2.846 3.064 ( 5.280 -0.000 3.080) 6.112 3.072 ( 4.530 -0.000 4.180) 6.164 3.206 ( 0.725 -0.000 -1.781) 1.923 3.301 ( 1.782 -0.000 -4.075) 4.448 3.365 ( 1.540 -0.000 -1.819) 2.383 3.413 ( -2.755 0.000 -5.801) 6.423 3.537 ( -2.872 0.000 -2.310) 3.686 3.550 ( -1.089 0.000 0.095) 1.094 3.776 ( 2.166 -0.000 5.604) 6.008 3.879 ( -0.690 0.000 1.817) 1.944 4.052 ( -1.684 0.000 0.649) 1.805 4.059 ( -6.484 0.000 -1.530) 6.662 4.179 ( -2.211 0.000 1.237) 2.534 4.192 ( -4.118 0.000 5.498) 6.870 4.452 ( 2.474 -0.000 2.298) 3.376 4.542 ( 0.526 -0.000 -0.366) 0.641 4.791 ( 3.031 -0.000 3.036) 4.290 4.873 ( -1.937 0.000 -2.492) 3.156 5.154 ( 4.297 -0.000 4.828) 6.463 5.434 ( -3.573 0.000 -3.655) 5.111 5.808 ( 1.750 -0.000 2.189) 2.803 5.990 ( -2.804 0.000 -2.800) 3.963 6.531 ( 0.076 -0.000 0.510) 0.516 6.571 ( -0.988 0.000 -0.349) 1.048 6.815 ( 1.965 -0.000 2.583) 3.246 6.920 ( -1.275 0.000 -1.849) 2.246 7.368 ( 0.598 -0.000 1.019) 1.182 7.437 ( -2.275 0.000 1.584) 2.772 7.629 ( 0.717 -0.000 0.790) 1.067 7.670 ( -0.546 0.000 -0.643) 0.844 7.910 ( 0.132 -0.000 0.063) 0.146 7.917 ( 0.033 -0.000 -0.072) 0.080 16.319 ( 0.050 -0.000 0.549) 0.551 16.470 ( -3.859 0.000 3.742) 5.376 17.106 ( 1.007 -0.000 0.912) 1.359 17.209 ( -0.000 0.000 -0.540) 0.540 17.902 ( -0.891 0.000 -0.318) 0.947 17.937 ( -0.068 0.000 0.129) 0.146 18.984 ( 2.412 -0.000 1.159) 2.676 19.060 ( -1.061 0.000 -1.390) 1.749 19.206 ( 3.506 -0.000 1.310) 3.743 19.256 ( 2.062 -0.000 -4.455) 4.909 19.762 ( 1.405 -0.000 4.542) 4.755 20.187 ( -5.659 0.000 -3.616) 6.716 ======================= Grid point 11 (7/93) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 9.639 -8.257 1.563) 12.788 0.539 ( 9.103 -6.824 8.120) 13.978 0.942 ( 2.733 -0.075 1.669) 3.203 1.040 ( 0.562 -1.412 -3.157) 3.503 1.101 ( 21.165 -3.348 17.260) 27.515 1.316 ( -1.595 -0.228 0.704) 1.759 1.377 ( -8.162 1.765 -5.684) 10.101 1.634 ( -4.590 5.101 -7.578) 10.224 1.679 ( -2.842 3.632 -2.137) 5.083 1.808 ( 1.675 2.321 0.480) 2.902 1.995 ( -0.822 -0.896 -2.699) 2.960 2.010 ( 9.367 1.653 8.786) 12.948 2.109 ( -3.197 -1.309 2.078) 4.031 2.230 ( -5.729 0.497 -5.378) 7.874 2.249 ( -0.991 2.103 -0.092) 2.326 2.404 ( -4.516 -2.350 -8.833) 10.195 2.505 ( -2.924 -3.390 -1.224) 4.641 2.592 ( -4.088 -2.025 -1.652) 4.852 2.710 ( -0.089 3.003 1.810) 3.507 2.745 ( 5.061 1.928 5.775) 7.917 2.916 ( 6.256 2.978 0.473) 6.945 3.041 ( 1.147 -0.957 0.388) 1.544 3.131 ( 3.823 0.076 -1.909) 4.274 3.212 ( 3.463 -3.619 -1.170) 5.144 3.232 ( 2.076 -5.675 2.008) 6.368 3.300 ( 2.024 -0.065 -0.318) 2.049 3.360 ( 1.987 -0.479 -4.474) 4.919 3.387 ( -0.979 -0.846 -2.732) 3.023 3.489 ( -0.363 0.628 -1.282) 1.473 3.556 ( -2.752 -1.874 0.111) 3.331 3.799 ( 0.663 1.192 3.204) 3.482 3.870 ( -1.424 1.015 1.451) 2.273 3.971 ( -4.266 2.153 0.177) 4.782 4.077 ( -5.670 -1.630 -1.153) 6.011 4.123 ( -2.039 1.551 2.430) 3.531 4.203 ( -2.425 -1.017 1.531) 3.043 4.476 ( 2.768 0.518 2.627) 3.851 4.562 ( 0.530 -0.983 -0.154) 1.127 4.813 ( 1.962 0.896 1.946) 2.905 4.855 ( -2.259 -1.330 -3.032) 4.008 5.227 ( 5.499 -0.425 6.141) 8.254 5.377 ( -4.830 0.098 -5.283) 7.159 5.837 ( 2.589 0.098 3.163) 4.089 5.947 ( -3.206 0.276 -3.458) 4.724 6.537 ( 0.143 -0.279 0.710) 0.776 6.562 ( -0.947 -0.110 -0.367) 1.022 6.839 ( 2.762 0.573 2.796) 3.972 6.896 ( -1.847 0.127 -2.608) 3.198 7.378 ( 0.767 0.153 1.273) 1.494 7.417 ( -1.405 0.669 0.226) 1.573 7.637 ( 0.859 0.286 0.941) 1.305 7.659 ( -0.746 0.171 -0.853) 1.146 7.911 ( 0.169 0.125 0.079) 0.224 7.916 ( 0.039 0.142 -0.089) 0.172 16.328 ( -0.068 -0.650 0.509) 0.828 16.435 ( -1.326 1.741 1.706) 2.775 17.102 ( 1.227 1.887 0.945) 2.441 17.191 ( 0.029 1.606 -0.643) 1.731 17.889 ( -0.479 0.113 -0.218) 0.538 17.944 ( -0.118 -0.689 0.073) 0.703 19.011 ( 2.798 0.262 1.429) 3.152 19.048 ( -0.650 -0.048 -1.243) 1.403 19.236 ( 2.589 0.350 0.877) 2.756 19.262 ( 1.978 -0.566 -2.549) 3.276 19.809 ( 1.859 -0.885 5.545) 5.915 20.106 ( -7.490 0.787 -4.886) 8.977 ======================= Grid point 12 (8/93) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 6.672 -7.581 -0.793) 10.130 0.750 ( 4.001 -7.520 3.940) 9.385 0.971 ( 1.375 -0.638 0.158) 1.524 1.068 ( 1.117 -2.839 -2.313) 3.828 1.226 ( -7.898 1.888 -6.446) 10.368 1.313 ( 5.736 0.396 5.006) 7.624 1.374 ( 7.534 0.605 5.288) 9.224 1.468 ( -3.839 4.295 -5.890) 8.238 1.598 ( -1.658 2.228 1.498) 3.155 1.736 ( -0.769 4.471 -1.649) 4.827 2.000 ( -3.758 0.013 -2.080) 4.295 2.019 ( -6.586 0.423 -10.453) 12.363 2.071 ( 0.534 1.531 3.484) 3.843 2.196 ( 2.826 -0.148 7.224) 7.759 2.284 ( 1.929 -2.968 2.107) 4.120 2.405 ( -2.345 -3.781 -1.567) 4.717 2.510 ( 1.128 3.348 3.041) 4.662 2.618 ( -0.490 -4.180 -2.223) 4.759 2.662 ( 0.782 1.710 1.032) 2.145 2.781 ( 4.540 2.445 6.495) 8.293 2.923 ( 4.284 1.722 0.277) 4.625 3.008 ( 0.410 5.461 0.032) 5.477 3.158 ( 1.631 -4.140 -4.343) 6.218 3.198 ( -5.287 0.456 -7.520) 9.204 3.281 ( 1.628 3.065 0.136) 3.473 3.350 ( 3.224 -3.364 -0.043) 4.660 3.400 ( 5.490 -2.567 -2.830) 6.689 3.485 ( -0.211 -1.101 -0.668) 1.305 3.495 ( 3.592 -5.675 4.680) 8.186 3.586 ( -2.853 -3.655 0.951) 4.733 3.778 ( -0.304 2.266 0.985) 2.490 3.830 ( -3.253 1.588 -0.167) 3.623 3.919 ( -2.002 1.573 2.955) 3.900 4.001 ( -5.384 2.621 -0.238) 5.992 4.128 ( -1.562 -1.441 -0.978) 2.340 4.211 ( -1.543 -1.258 0.689) 2.107 4.508 ( 2.663 0.004 2.861) 3.909 4.566 ( -0.322 0.453 -0.693) 0.888 4.816 ( -1.920 -0.958 -2.621) 3.387 4.856 ( 0.922 -0.550 0.454) 1.166 5.305 ( 3.478 -0.132 3.803) 5.155 5.308 ( -3.543 -0.028 -3.993) 5.339 5.877 ( 3.233 0.035 3.837) 5.017 5.898 ( -3.174 0.447 -3.378) 4.657 6.548 ( 0.223 -0.349 0.760) 0.865 6.557 ( -0.656 -0.229 -0.298) 0.756 6.862 ( -2.111 0.179 -2.881) 3.576 6.866 ( 2.450 0.375 2.392) 3.444 7.387 ( 0.713 0.271 1.146) 1.376 7.397 ( -0.956 0.502 -0.373) 1.143 7.639 ( -0.027 0.411 -0.030) 0.413 7.648 ( 0.029 0.199 0.027) 0.203 7.910 ( 0.149 0.199 0.067) 0.258 7.912 ( 0.033 0.198 -0.074) 0.214 16.344 ( -0.179 -1.024 0.214) 1.061 16.411 ( -0.515 0.875 0.567) 1.163 17.074 ( 0.959 2.675 0.636) 2.912 17.152 ( 0.148 2.494 -0.428) 2.535 17.890 ( -0.321 -0.633 -0.213) 0.741 17.956 ( -0.133 -0.718 0.001) 0.730 19.020 ( 0.700 0.790 -0.224) 1.079 19.048 ( 1.639 0.258 0.869) 1.873 19.244 ( 0.413 -0.091 -1.737) 1.788 19.281 ( 2.763 0.227 1.017) 2.953 19.870 ( 1.842 -1.278 4.694) 5.202 20.005 ( -6.833 0.803 -4.571) 8.260 ======================= Grid point 13 (9/93) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -0.172 -2.404 -3.116) 3.939 0.895 ( -1.450 -6.162 -2.967) 6.991 0.984 ( 0.369 -0.582 0.496) 0.849 1.090 ( -7.556 1.276 -5.132) 9.223 1.143 ( 3.133 -2.014 -0.443) 3.751 1.294 ( -0.192 0.882 -4.278) 4.372 1.381 ( 3.153 4.342 2.995) 6.145 1.440 ( 2.083 -0.321 3.186) 3.820 1.581 ( 1.391 0.569 1.189) 1.916 1.675 ( 0.728 2.279 0.788) 2.519 1.833 ( -11.999 0.743 -12.699) 17.487 1.982 ( -3.988 1.299 -2.069) 4.677 2.087 ( -2.014 -4.976 -1.752) 5.646 2.269 ( 4.234 4.934 10.387) 12.254 2.339 ( 4.355 -1.698 0.946) 4.769 2.455 ( 7.455 2.079 8.409) 11.428 2.542 ( 0.372 -5.639 0.469) 5.671 2.632 ( -1.686 1.476 0.269) 2.257 2.691 ( 3.481 -2.308 -2.030) 4.644 2.778 ( 0.499 3.702 6.032) 7.095 2.869 ( 1.283 6.044 -2.075) 6.518 2.988 ( 2.446 -1.041 4.678) 5.381 3.088 ( -5.115 0.933 -6.899) 8.639 3.242 ( 0.827 -3.875 -2.793) 4.848 3.260 ( 3.877 1.831 2.967) 5.214 3.405 ( 2.170 -1.431 -3.200) 4.123 3.460 ( 2.020 0.001 0.208) 2.031 3.476 ( -1.226 -1.372 -1.389) 2.306 3.593 ( -5.540 -1.131 -1.343) 5.811 3.653 ( 3.818 -3.694 3.199) 6.201 3.733 ( -2.920 1.853 -0.637) 3.517 3.793 ( -0.286 -0.172 0.142) 0.363 3.886 ( -1.993 3.351 -0.096) 3.900 3.943 ( -0.431 -0.912 2.100) 2.329 4.140 ( 0.389 -1.359 -0.297) 1.444 4.224 ( -1.682 -1.230 0.208) 2.094 4.524 ( -0.458 1.338 -0.526) 1.509 4.556 ( 1.609 -0.036 1.966) 2.540 4.785 ( -4.233 -0.801 -5.472) 6.964 4.893 ( 2.436 -0.843 2.415) 3.532 5.240 ( -4.837 -0.180 -5.574) 7.382 5.370 ( 4.254 0.032 4.798) 6.412 5.849 ( -2.738 0.530 -2.905) 4.027 5.924 ( 3.364 -0.122 3.899) 5.151 6.553 ( -0.329 -0.127 -0.170) 0.391 6.562 ( 0.387 -0.313 0.702) 0.861 6.824 ( -2.604 0.116 -3.212) 4.136 6.892 ( 2.096 0.227 2.176) 3.030 7.377 ( -0.830 0.369 -0.673) 1.131 7.396 ( 0.728 0.164 0.944) 1.204 7.625 ( -0.746 0.229 -0.858) 1.159 7.652 ( 0.682 0.183 0.796) 1.064 7.907 ( 0.074 0.183 0.026) 0.199 7.909 ( 0.026 0.140 -0.030) 0.146 16.360 ( -0.243 -0.961 -0.132) 1.000 16.397 ( -0.314 0.580 0.001) 0.659 17.037 ( 0.375 2.107 0.175) 2.148 17.111 ( 0.262 1.882 0.004) 1.900 17.900 ( -0.115 -0.695 -0.147) 0.720 17.965 ( -0.225 -0.423 -0.116) 0.493 19.008 ( 0.140 0.598 -0.340) 0.702 19.061 ( 1.973 0.798 1.652) 2.694 19.229 ( -1.222 0.081 -2.780) 3.037 19.302 ( 2.102 0.654 2.115) 3.053 19.880 ( -4.212 0.185 -3.011) 5.181 19.980 ( 1.578 -1.674 2.733) 3.573 ======================= Grid point 14 (10/93) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -7.376 2.501 -6.648) 10.240 0.871 ( -8.807 2.356 -5.646) 10.723 0.915 ( -3.334 3.614 -2.849) 5.683 1.087 ( -1.309 -5.840 -2.491) 6.483 1.195 ( 2.568 1.871 3.395) 4.650 1.303 ( 3.499 -1.312 -1.919) 4.201 1.357 ( 2.477 1.351 3.194) 4.262 1.492 ( 3.165 -1.334 4.103) 5.351 1.594 ( 1.143 1.006 -1.972) 2.491 1.660 ( -3.493 -2.121 1.055) 4.221 1.705 ( -4.517 -1.236 -9.898) 10.950 1.924 ( -2.622 0.524 -0.702) 2.764 2.179 ( -0.807 -7.116 -1.597) 7.337 2.212 ( 0.841 5.401 3.332) 6.401 2.416 ( 3.251 -0.871 2.846) 4.408 2.498 ( 6.934 4.663 2.831) 8.822 2.571 ( -3.501 0.859 -3.624) 5.111 2.644 ( 2.443 -0.819 4.705) 5.364 2.724 ( 3.873 3.164 -0.917) 5.084 2.745 ( -0.248 1.001 5.381) 5.479 2.821 ( 0.623 -1.770 2.888) 3.444 2.985 ( 1.143 2.591 -2.704) 3.916 3.097 ( -1.332 -3.658 4.904) 6.261 3.281 ( 0.498 -2.405 1.139) 2.707 3.305 ( 3.157 0.475 2.863) 4.288 3.384 ( -1.857 1.755 -3.073) 3.997 3.459 ( 1.593 0.962 0.985) 2.105 3.494 ( -0.325 -0.659 -1.497) 1.668 3.539 ( -4.604 0.185 -2.916) 5.453 3.660 ( -3.938 2.103 -2.349) 5.044 3.711 ( 1.109 0.377 -0.240) 1.196 3.801 ( -0.119 1.738 -1.364) 2.213 3.821 ( -0.750 -1.701 -1.947) 2.692 4.017 ( 4.002 -2.924 3.216) 5.908 4.185 ( 2.050 -1.980 1.051) 3.038 4.225 ( -1.978 -0.616 0.252) 2.087 4.481 ( -1.192 1.650 -1.235) 2.380 4.587 ( 1.839 -0.269 2.079) 2.789 4.730 ( -4.575 -0.173 -5.525) 7.176 4.934 ( 1.793 -0.397 2.003) 2.717 5.183 ( -3.709 0.102 -4.191) 5.598 5.420 ( 3.056 -0.157 3.433) 4.599 5.810 ( -1.887 0.383 -2.076) 2.831 5.969 ( 2.757 -0.243 3.179) 4.215 6.551 ( -0.176 0.088 -0.215) 0.292 6.574 ( 0.658 -0.151 0.747) 1.007 6.787 ( -2.550 0.057 -2.841) 3.818 6.913 ( 1.390 0.056 1.583) 2.108 7.363 ( -0.619 0.150 -0.665) 0.921 7.404 ( 0.554 0.029 0.570) 0.795 7.614 ( -0.608 -0.012 -0.726) 0.947 7.659 ( 0.543 -0.003 0.653) 0.850 7.905 ( 0.004 0.084 -0.005) 0.084 7.908 ( 0.006 0.002 0.004) 0.007 16.369 ( -0.262 -0.220 -0.356) 0.494 16.384 ( -0.344 0.475 -0.373) 0.695 17.014 ( -0.107 0.561 -0.112) 0.582 17.097 ( 0.247 -0.032 0.291) 0.383 17.908 ( 0.088 -0.184 -0.037) 0.207 17.965 ( -0.357 0.055 -0.251) 0.440 18.998 ( -0.178 0.462 -0.028) 0.496 19.071 ( 2.067 0.624 1.947) 2.907 19.198 ( -2.288 0.181 -2.891) 3.691 19.307 ( 0.748 1.139 1.753) 2.220 19.827 ( -3.040 0.260 -3.306) 4.499 20.056 ( 3.050 -2.642 2.998) 5.027 ======================= Grid point 15 (11/93) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( -10.658 5.186 -7.355) 13.949 0.670 ( -6.250 8.942 -2.639) 11.224 0.850 ( -3.101 0.387 -2.809) 4.203 1.085 ( -0.289 11.840 -1.334) 11.919 1.154 ( 0.205 -1.797 0.385) 1.850 1.354 ( 4.643 -0.927 1.421) 4.943 1.404 ( 1.094 -2.047 1.842) 2.964 1.562 ( -0.500 -3.823 -0.523) 3.891 1.603 ( 1.284 -2.526 3.156) 4.242 1.681 ( -3.733 -4.516 -3.852) 7.013 1.713 ( 1.970 -2.642 -2.096) 3.906 1.934 ( -0.926 -3.510 -0.107) 3.632 2.134 ( 0.182 4.609 1.036) 4.728 2.287 ( -0.686 -4.727 -0.910) 4.862 2.409 ( 2.638 4.628 0.102) 5.328 2.480 ( -2.459 0.819 -0.342) 2.615 2.521 ( 4.611 0.423 -1.751) 4.950 2.626 ( -5.794 1.827 0.965) 6.151 2.692 ( 1.250 1.954 2.848) 3.673 2.805 ( 7.925 -0.091 2.270) 8.244 2.908 ( -1.925 -4.028 2.260) 5.004 2.962 ( 2.348 0.712 2.717) 3.661 3.158 ( -0.664 -1.515 3.373) 3.757 3.266 ( -1.575 4.851 -0.426) 5.118 3.293 ( -1.645 0.830 -3.291) 3.771 3.386 ( 1.369 -1.673 2.799) 3.537 3.449 ( -1.501 1.875 3.234) 4.028 3.473 ( 1.077 2.156 0.206) 2.419 3.509 ( 2.101 0.423 -0.738) 2.267 3.583 ( -2.917 1.348 -3.415) 4.689 3.684 ( -1.618 0.251 -3.041) 3.454 3.794 ( 0.039 -1.689 -0.804) 1.871 3.853 ( -0.187 -2.614 -1.907) 3.241 4.109 ( 4.712 -1.780 1.521) 5.262 4.200 ( -2.884 -0.301 -0.760) 2.998 4.256 ( 2.479 -1.517 2.011) 3.534 4.442 ( -0.607 1.366 -0.779) 1.686 4.603 ( 0.990 0.998 0.996) 1.723 4.682 ( -3.241 -1.266 -3.483) 4.923 4.951 ( 0.855 0.597 1.134) 1.541 5.137 ( -2.169 0.601 -2.354) 3.257 5.457 ( 1.655 -0.366 1.835) 2.498 5.787 ( -0.864 0.068 -1.018) 1.337 6.004 ( 1.535 -0.283 1.775) 2.364 6.545 ( -0.069 0.335 -0.152) 0.374 6.584 ( 0.618 0.016 0.526) 0.812 6.756 ( -1.846 0.073 -1.864) 2.624 6.927 ( 0.679 -0.118 0.854) 1.097 7.355 ( -0.328 -0.042 -0.421) 0.536 7.409 ( 0.238 -0.077 0.093) 0.267 7.610 ( -0.324 -0.221 -0.401) 0.561 7.666 ( 0.290 -0.183 0.355) 0.493 7.905 ( -0.025 -0.039 -0.014) 0.049 7.909 ( -0.007 -0.143 0.015) 0.144 16.358 ( -0.092 0.977 -0.186) 0.999 16.372 ( -0.620 0.215 -0.913) 1.124 17.017 ( -0.216 -1.153 -0.108) 1.178 17.118 ( 0.121 -1.906 0.250) 1.926 17.905 ( 0.050 0.606 -0.026) 0.608 17.957 ( -0.322 0.376 -0.259) 0.559 18.985 ( -0.474 0.728 -0.076) 0.872 19.094 ( 2.320 0.236 1.980) 3.059 19.167 ( -2.308 -0.708 -2.236) 3.290 19.293 ( -0.247 1.357 1.064) 1.742 19.789 ( -1.107 0.907 -1.932) 2.404 20.142 ( 2.213 -3.277 1.753) 4.326 ======================= Grid point 16 (12/93) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.316 ( -0.000 7.678 -0.000) 7.678 0.455 ( -0.000 11.538 -0.000) 11.538 0.790 ( -0.000 19.467 -0.000) 19.467 0.832 ( 0.000 -0.620 0.000) 0.620 1.163 ( -0.000 1.237 -0.000) 1.237 1.393 ( -0.000 0.238 -0.000) 0.238 1.454 ( 0.000 -3.617 0.000) 3.617 1.617 ( 0.000 -2.823 0.000) 2.823 1.700 ( 0.000 -5.654 0.000) 5.654 1.717 ( 0.000 -2.664 0.000) 2.664 1.793 ( 0.000 -4.862 0.000) 4.862 2.021 ( 0.000 -6.358 0.000) 6.358 2.075 ( -0.000 2.112 -0.000) 2.112 2.296 ( -0.000 1.955 -0.000) 1.955 2.312 ( -0.000 5.994 -0.000) 5.994 2.516 ( 0.000 -4.015 0.000) 4.015 2.528 ( -0.000 2.519 -0.000) 2.519 2.601 ( 0.000 -4.231 0.000) 4.231 2.682 ( -0.000 0.834 -0.000) 0.834 2.848 ( -0.000 2.004 -0.000) 2.004 2.901 ( -0.000 0.556 -0.000) 0.556 3.023 ( 0.000 -2.088 0.000) 2.088 3.154 ( -0.000 5.872 -0.000) 5.872 3.174 ( 0.000 -0.382 0.000) 0.382 3.250 ( -0.000 1.703 -0.000) 1.703 3.362 ( -0.000 3.735 -0.000) 3.735 3.412 ( -0.000 2.987 -0.000) 2.987 3.490 ( 0.000 -1.922 0.000) 1.922 3.523 ( -0.000 0.148 -0.000) 0.148 3.561 ( 0.000 -1.260 0.000) 1.260 3.669 ( 0.000 -0.677 0.000) 0.677 3.831 ( 0.000 -2.219 0.000) 2.219 3.890 ( 0.000 -2.515 0.000) 2.515 4.154 ( -0.000 0.158 -0.000) 0.158 4.183 ( 0.000 -0.379 0.000) 0.379 4.296 ( 0.000 -0.529 0.000) 0.529 4.415 ( -0.000 0.970 -0.000) 0.970 4.587 ( -0.000 0.959 -0.000) 0.959 4.693 ( 0.000 -1.916 0.000) 1.916 4.939 ( -0.000 1.419 -0.000) 1.419 5.109 ( -0.000 0.700 -0.000) 0.700 5.475 ( 0.000 -0.365 0.000) 0.365 5.783 ( 0.000 -0.168 0.000) 0.168 6.019 ( 0.000 -0.250 0.000) 0.250 6.537 ( -0.000 0.434 -0.000) 0.434 6.587 ( -0.000 0.135 -0.000) 0.135 6.741 ( -0.000 0.155 -0.000) 0.155 6.935 ( 0.000 -0.206 0.000) 0.206 7.355 ( 0.000 -0.140 0.000) 0.140 7.411 ( 0.000 -0.078 0.000) 0.078 7.612 ( 0.000 -0.289 0.000) 0.289 7.672 ( 0.000 -0.250 0.000) 0.250 7.906 ( 0.000 -0.119 0.000) 0.119 7.912 ( 0.000 -0.204 0.000) 0.204 16.338 ( -0.000 1.089 -0.000) 1.089 16.357 ( -0.000 0.683 -0.000) 0.683 17.046 ( 0.000 -2.024 0.000) 2.024 17.161 ( 0.000 -2.532 0.000) 2.532 17.889 ( -0.000 1.060 -0.000) 1.060 17.947 ( -0.000 0.465 -0.000) 0.465 18.969 ( -0.000 0.655 -0.000) 0.655 19.098 ( -0.000 0.755 -0.000) 0.755 19.182 ( 0.000 -2.242 0.000) 2.242 19.271 ( -0.000 1.189 -0.000) 1.189 19.758 ( -0.000 1.396 -0.000) 1.396 20.214 ( 0.000 -3.047 0.000) 3.047 ======================= Grid point 19 (13/93) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 9.190 -0.000 8.457) 12.489 0.600 ( 9.335 -0.000 7.590) 12.032 0.963 ( 2.841 -0.000 -2.005) 3.478 0.991 ( -1.092 0.000 -3.344) 3.518 1.277 ( -7.997 0.000 -6.122) 10.071 1.320 ( 0.671 -0.000 2.346) 2.440 1.334 ( 15.897 -0.000 13.061) 20.575 1.613 ( -7.287 0.000 -6.067) 9.482 1.659 ( -2.018 0.000 -5.726) 6.071 1.848 ( 0.781 -0.000 -2.076) 2.218 1.981 ( 0.826 -0.000 -5.074) 5.141 2.037 ( -1.044 0.000 0.294) 1.085 2.123 ( -13.922 0.000 -12.598) 18.776 2.153 ( 8.365 -0.000 8.353) 11.822 2.244 ( -4.878 0.000 0.784) 4.940 2.370 ( 3.637 -0.000 -2.016) 4.158 2.446 ( 2.349 -0.000 5.130) 5.642 2.550 ( -2.109 0.000 -0.530) 2.174 2.736 ( -0.371 0.000 4.216) 4.233 2.832 ( 4.482 -0.000 5.422) 7.035 3.047 ( 5.193 -0.000 -0.209) 5.197 3.049 ( 4.176 -0.000 3.550) 5.481 3.143 ( 0.694 -0.000 -1.872) 1.997 3.193 ( 5.068 -0.000 4.020) 6.468 3.230 ( 3.352 -0.000 -1.291) 3.592 3.312 ( 4.268 -0.000 -3.904) 5.784 3.349 ( 0.438 -0.000 -0.738) 0.858 3.364 ( 1.446 -0.000 -3.345) 3.644 3.472 ( -1.794 0.000 -2.122) 2.779 3.512 ( -2.986 0.000 -0.897) 3.117 3.818 ( -1.251 0.000 1.730) 2.135 3.855 ( -4.056 0.000 -1.779) 4.429 3.955 ( -3.858 0.000 0.538) 3.895 4.025 ( -2.065 0.000 0.664) 2.169 4.145 ( -3.428 0.000 1.495) 3.740 4.165 ( -3.600 0.000 2.792) 4.556 4.517 ( 2.463 -0.000 2.287) 3.362 4.562 ( 1.565 -0.000 0.850) 1.781 4.792 ( -3.736 0.000 -4.570) 5.902 4.849 ( 1.441 -0.000 1.339) 1.967 5.301 ( 5.779 -0.000 6.434) 8.649 5.306 ( -5.722 0.000 -6.380) 8.570 5.878 ( 3.134 -0.000 3.821) 4.942 5.907 ( -3.178 0.000 -3.294) 4.578 6.540 ( 0.256 -0.000 1.035) 1.066 6.552 ( -0.883 0.000 -0.322) 0.940 6.866 ( -2.274 0.000 -3.244) 3.962 6.877 ( 2.368 -0.000 2.356) 3.340 7.393 ( 0.801 -0.000 1.395) 1.608 7.410 ( -1.650 0.000 -0.266) 1.672 7.650 ( -0.899 0.000 -0.966) 1.320 7.651 ( 0.893 -0.000 0.940) 1.297 7.914 ( 0.208 -0.000 0.096) 0.229 7.917 ( 0.040 -0.000 -0.107) 0.115 16.323 ( -0.304 0.000 0.393) 0.497 16.437 ( -2.284 0.000 0.161) 2.290 17.136 ( 1.297 -0.000 1.121) 1.714 17.203 ( 0.160 -0.000 -0.697) 0.715 17.881 ( -0.983 0.000 -0.622) 1.163 17.936 ( -0.068 0.000 0.077) 0.103 19.041 ( 0.234 -0.000 -0.916) 0.946 19.049 ( 3.367 -0.000 2.103) 3.969 19.246 ( 0.979 -0.000 -2.993) 3.149 19.283 ( 4.085 -0.000 1.581) 4.380 19.844 ( 1.855 -0.000 6.059) 6.336 20.019 ( -8.809 0.000 -5.559) 10.416 ======================= Grid point 20 (14/93) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 6.384 -3.207 4.872) 8.648 0.724 ( 4.351 -3.055 5.162) 7.410 0.969 ( 2.053 -0.050 -2.938) 3.585 1.006 ( 0.741 -3.079 -2.685) 4.152 1.170 ( -6.484 1.248 -4.661) 8.082 1.341 ( 0.440 -0.105 0.082) 0.459 1.453 ( 0.901 1.305 -2.419) 2.893 1.502 ( -0.579 2.421 1.148) 2.741 1.629 ( -0.291 0.971 0.734) 1.252 1.796 ( -3.659 1.905 -5.750) 7.076 1.884 ( -8.074 2.834 -11.111) 14.024 1.960 ( -0.448 1.975 -4.648) 5.070 2.105 ( -0.926 0.904 1.518) 1.995 2.183 ( 0.266 -4.835 1.290) 5.011 2.320 ( 3.873 -3.620 4.724) 7.101 2.385 ( 3.325 1.063 4.720) 5.871 2.542 ( 0.108 -1.141 -1.870) 2.193 2.563 ( 6.053 -2.482 8.568) 10.780 2.738 ( -0.134 2.791 5.981) 6.602 2.876 ( 3.382 0.923 6.054) 6.995 3.021 ( 2.029 5.179 0.856) 5.628 3.087 ( 4.443 -0.535 -0.028) 4.475 3.132 ( 1.822 1.490 -5.349) 5.844 3.154 ( -2.054 4.706 -3.617) 6.281 3.310 ( 0.727 -1.856 1.689) 2.613 3.344 ( 3.868 -0.921 0.813) 4.058 3.362 ( 3.750 -3.367 -5.189) 7.233 3.450 ( 6.230 -5.340 2.732) 8.648 3.467 ( -1.245 -0.585 -1.428) 1.983 3.497 ( -3.871 -2.799 -0.115) 4.778 3.798 ( -1.968 0.834 -0.558) 2.209 3.803 ( -4.756 0.394 -2.625) 5.447 3.928 ( -3.197 0.529 2.500) 4.092 4.005 ( -2.931 1.456 0.517) 3.313 4.108 ( -1.581 0.457 0.842) 1.849 4.172 ( -2.918 -1.527 1.555) 3.642 4.544 ( 2.222 0.161 2.217) 3.143 4.577 ( 1.137 0.499 0.642) 1.398 4.746 ( -4.067 -0.962 -5.253) 6.712 4.866 ( 1.116 -0.425 0.969) 1.538 5.230 ( -5.477 -0.221 -6.293) 8.346 5.373 ( 4.668 0.060 5.200) 6.988 5.866 ( -2.711 0.299 -2.690) 3.831 5.923 ( 3.234 0.019 3.899) 5.066 6.546 ( -0.615 -0.180 -0.208) 0.674 6.551 ( 0.412 -0.228 1.181) 1.272 6.829 ( -2.502 0.103 -3.496) 4.300 6.903 ( 2.048 0.268 1.973) 2.856 7.392 ( -1.215 0.374 -0.494) 1.364 7.404 ( 0.706 0.166 1.199) 1.401 7.636 ( -0.878 0.231 -0.909) 1.285 7.660 ( 0.768 0.212 0.809) 1.135 7.915 ( 0.163 0.162 0.056) 0.237 7.915 ( 0.058 0.133 -0.065) 0.159 16.327 ( -0.425 -0.664 0.090) 0.793 16.416 ( -1.383 0.425 -0.212) 1.462 17.131 ( 1.036 2.193 0.783) 2.548 17.188 ( 0.282 1.517 -0.439) 1.604 17.875 ( -0.652 -0.445 -0.467) 0.917 17.942 ( -0.121 -0.615 -0.033) 0.628 19.036 ( 0.745 0.677 -0.513) 1.131 19.084 ( 3.038 0.339 2.330) 3.843 19.236 ( 0.350 0.231 -2.728) 2.760 19.320 ( 3.564 0.332 1.781) 3.999 19.884 ( -1.162 0.195 2.220) 2.513 19.930 ( -5.432 -1.045 -2.392) 6.027 ======================= Grid point 21 (15/93) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 0.972 -2.306 -0.842) 2.640 0.797 ( -0.663 -2.719 -1.115) 3.012 0.958 ( -1.189 -0.006 -2.306) 2.595 1.072 ( -0.267 -0.883 0.109) 0.929 1.105 ( 0.891 -1.584 -3.180) 3.663 1.290 ( -1.760 1.835 -3.087) 4.000 1.420 ( -2.415 -0.615 -4.645) 5.271 1.489 ( 1.956 1.570 4.398) 5.063 1.609 ( -2.845 1.198 1.097) 3.276 1.678 ( -6.710 1.198 -9.889) 12.011 1.765 ( 1.370 3.427 -0.681) 3.753 1.951 ( 1.012 -1.733 -4.027) 4.499 2.046 ( -2.615 3.075 1.800) 4.420 2.314 ( 3.141 -4.712 1.330) 5.817 2.370 ( -1.578 -0.694 2.957) 3.423 2.466 ( 2.029 -2.859 4.730) 5.888 2.563 ( 3.261 -1.600 -0.645) 3.689 2.666 ( 1.787 3.141 6.108) 7.097 2.732 ( 7.288 1.015 8.093) 10.938 2.894 ( 1.764 4.631 5.319) 7.270 2.963 ( -0.928 1.128 -1.706) 2.246 3.013 ( -0.066 5.000 -0.075) 5.001 3.068 ( 0.422 2.420 -3.910) 4.618 3.175 ( 4.099 -3.184 -3.159) 6.076 3.313 ( -0.502 0.146 0.647) 0.832 3.389 ( 4.315 -0.716 -2.899) 5.247 3.424 ( -1.785 -2.138 -0.723) 2.877 3.470 ( 2.247 -0.889 -1.470) 2.828 3.510 ( -5.371 -2.431 -0.786) 5.948 3.619 ( 3.501 -5.350 3.730) 7.402 3.738 ( -2.600 1.849 -1.277) 3.436 3.780 ( -0.640 -0.618 -1.439) 1.692 3.919 ( -2.647 -1.290 3.012) 4.212 3.936 ( -2.314 3.547 0.117) 4.237 4.115 ( 0.349 -1.519 -0.497) 1.636 4.184 ( -2.332 -1.440 0.806) 2.857 4.546 ( -0.080 1.597 -0.168) 1.607 4.584 ( 1.848 0.314 2.193) 2.885 4.707 ( -3.744 -1.113 -5.325) 6.604 4.896 ( 1.172 -1.323 1.008) 2.034 5.172 ( -4.035 -0.599 -4.685) 6.212 5.422 ( 3.133 0.235 3.504) 4.706 5.828 ( -1.960 0.528 -1.921) 2.795 5.965 ( 2.706 -0.045 3.206) 4.195 6.546 ( -0.346 -0.292 -0.154) 0.479 6.565 ( 0.605 -0.278 1.183) 1.358 6.791 ( -2.364 0.126 -3.145) 3.937 6.920 ( 1.466 0.305 1.435) 2.074 7.375 ( -0.775 0.435 -0.507) 1.023 7.410 ( 0.558 0.260 0.838) 1.039 7.620 ( -0.690 0.298 -0.725) 1.044 7.665 ( 0.566 0.284 0.621) 0.886 7.912 ( 0.034 0.216 -0.041) 0.222 7.913 ( 0.105 0.235 0.035) 0.260 16.339 ( -0.348 -1.054 -0.139) 1.119 16.400 ( -0.636 0.293 -0.226) 0.735 17.090 ( 0.505 3.138 0.262) 3.190 17.154 ( 0.346 2.399 -0.022) 2.424 17.882 ( -0.293 -0.953 -0.269) 1.032 17.953 ( -0.166 -0.680 -0.100) 0.707 19.024 ( 0.694 1.022 -0.205) 1.253 19.106 ( 2.492 0.951 2.441) 3.615 19.214 ( -0.795 0.630 -2.778) 2.957 19.344 ( 2.407 0.858 1.766) 3.107 19.822 ( -5.687 -0.096 -3.808) 6.844 19.972 ( 1.453 -2.198 3.205) 4.149 ======================= Grid point 22 (16/93) ======================= q-point: ( 0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -4.309 2.871 -4.980) 7.184 0.801 ( -3.401 -0.787 -3.559) 4.985 0.953 ( -2.317 0.141 -2.513) 3.422 1.017 ( 1.430 1.571 1.887) 2.841 1.203 ( 2.317 -4.176 0.554) 4.808 1.286 ( 2.809 -1.898 -1.065) 3.553 1.370 ( -5.106 -0.841 -2.352) 5.684 1.515 ( 2.262 1.588 1.941) 3.377 1.564 ( -4.419 -1.457 -1.096) 4.780 1.606 ( 0.191 0.985 -2.484) 2.679 1.724 ( 1.449 2.987 0.149) 3.323 1.950 ( 0.575 3.032 -0.024) 3.087 2.038 ( -1.726 -6.007 -1.304) 6.385 2.320 ( -0.013 3.434 0.716) 3.507 2.432 ( 2.379 -0.551 5.873) 6.361 2.526 ( -1.838 -1.853 -3.952) 4.736 2.581 ( -0.467 -1.141 -1.583) 2.007 2.662 ( 2.356 1.235 5.712) 6.301 2.800 ( 6.218 2.145 0.829) 6.629 2.834 ( 0.424 5.970 4.053) 7.228 2.874 ( 0.198 3.052 -0.265) 3.070 2.981 ( -1.166 0.277 -0.743) 1.410 3.098 ( 3.896 -1.946 5.982) 7.399 3.218 ( -1.601 -2.515 -4.715) 5.578 3.333 ( 1.618 -1.353 1.238) 2.446 3.405 ( 3.035 0.793 -0.296) 3.151 3.451 ( -0.247 -2.504 -1.558) 2.959 3.468 ( -3.442 0.514 0.943) 3.606 3.481 ( -2.949 -0.104 -3.932) 4.916 3.666 ( -1.537 1.057 -0.277) 1.886 3.727 ( 1.610 0.006 0.936) 1.862 3.785 ( -0.760 -0.964 -0.715) 1.420 3.849 ( -0.635 4.270 -0.733) 4.378 3.983 ( 0.682 -4.906 2.363) 5.488 4.161 ( 1.805 -2.599 -0.407) 3.190 4.188 ( -2.518 -1.066 0.439) 2.769 4.506 ( -0.334 2.252 -0.316) 2.298 4.603 ( 0.828 -0.304 1.353) 1.615 4.673 ( -2.387 -0.218 -3.614) 4.337 4.934 ( 0.705 -1.392 0.660) 1.694 5.141 ( -1.992 -0.484 -2.299) 3.080 5.450 ( 1.576 0.097 1.764) 2.368 5.799 ( -0.999 0.550 -1.017) 1.528 5.996 ( 1.557 -0.138 1.822) 2.401 6.548 ( -0.124 -0.187 -0.083) 0.239 6.580 ( 0.530 -0.226 0.774) 0.965 6.760 ( -1.581 0.108 -1.944) 2.508 6.929 ( 0.735 0.228 0.765) 1.085 7.361 ( -0.366 0.347 -0.320) 0.597 7.412 ( 0.305 0.230 0.392) 0.547 7.609 ( -0.362 0.188 -0.404) 0.574 7.666 ( 0.298 0.191 0.345) 0.494 7.908 ( 0.016 0.200 -0.007) 0.201 7.910 ( 0.029 0.182 0.005) 0.184 16.354 ( -0.200 -0.907 -0.183) 0.947 16.390 ( -0.228 0.438 -0.145) 0.514 17.041 ( 0.101 2.496 0.007) 2.498 17.117 ( 0.204 1.846 0.123) 1.861 17.897 ( -0.044 -0.931 -0.094) 0.936 17.960 ( -0.162 -0.312 -0.106) 0.367 19.011 ( 0.289 0.870 0.034) 0.917 19.117 ( 2.229 1.197 2.469) 3.535 19.176 ( -1.893 0.842 -2.803) 3.486 19.344 ( 0.868 1.402 0.982) 1.919 19.784 ( -2.508 -0.936 -2.047) 3.370 20.038 ( 1.261 -2.587 1.694) 3.339 ======================= Grid point 23 (17/93) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -0.000 5.154 -0.000) 5.154 0.757 ( -0.000 3.353 -0.000) 3.353 0.870 ( -0.000 4.502 -0.000) 4.502 1.081 ( 0.000 -5.059 0.000) 5.059 1.231 ( -0.000 3.180 -0.000) 3.180 1.355 ( 0.000 -2.494 0.000) 2.494 1.375 ( 0.000 -2.052 0.000) 2.052 1.492 ( 0.000 -1.076 0.000) 1.076 1.597 ( 0.000 -0.320 0.000) 0.320 1.597 ( 0.000 -2.864 0.000) 2.864 1.692 ( -0.000 0.730 -0.000) 0.730 1.910 ( -0.000 0.926 -0.000) 0.926 2.160 ( 0.000 -7.924 0.000) 7.924 2.236 ( -0.000 6.034 -0.000) 6.034 2.439 ( -0.000 0.396 -0.000) 0.396 2.514 ( -0.000 1.617 -0.000) 1.617 2.601 ( -0.000 1.273 -0.000) 1.273 2.624 ( -0.000 3.494 -0.000) 3.494 2.742 ( -0.000 3.214 -0.000) 3.214 2.832 ( -0.000 0.042 -0.000) 0.042 2.861 ( 0.000 -2.260 0.000) 2.260 2.975 ( -0.000 0.504 -0.000) 0.504 3.165 ( 0.000 -0.537 0.000) 0.537 3.240 ( 0.000 -3.403 0.000) 3.403 3.332 ( -0.000 2.929 -0.000) 2.929 3.412 ( -0.000 2.059 -0.000) 2.059 3.454 ( 0.000 -0.527 0.000) 0.527 3.466 ( 0.000 -3.236 0.000) 3.236 3.482 ( 0.000 -1.235 0.000) 1.235 3.623 ( -0.000 3.261 -0.000) 3.261 3.702 ( -0.000 2.728 -0.000) 2.728 3.785 ( -0.000 0.861 -0.000) 0.861 3.813 ( 0.000 -1.409 0.000) 1.409 4.085 ( 0.000 -4.423 0.000) 4.423 4.175 ( -0.000 0.004 -0.000) 0.004 4.229 ( 0.000 -2.929 0.000) 2.929 4.467 ( -0.000 1.869 -0.000) 1.869 4.628 ( 0.000 -1.488 0.000) 1.488 4.640 ( -0.000 1.412 -0.000) 1.412 4.957 ( 0.000 -0.582 0.000) 0.582 5.131 ( -0.000 0.194 -0.000) 0.194 5.462 ( 0.000 -0.215 0.000) 0.215 5.785 ( -0.000 0.333 -0.000) 0.333 6.010 ( 0.000 -0.213 0.000) 0.213 6.548 ( -0.000 0.082 -0.000) 0.082 6.587 ( 0.000 -0.137 0.000) 0.137 6.746 ( -0.000 0.131 -0.000) 0.131 6.932 ( -0.000 0.060 -0.000) 0.060 7.354 ( -0.000 0.164 -0.000) 0.164 7.411 ( -0.000 0.118 -0.000) 0.118 7.605 ( 0.000 -0.029 0.000) 0.029 7.667 ( 0.000 -0.002 0.000) 0.002 7.905 ( -0.000 0.113 -0.000) 0.113 7.908 ( -0.000 0.008 -0.000) 0.008 16.363 ( 0.000 -0.234 0.000) 0.234 16.378 ( -0.000 0.747 -0.000) 0.747 17.012 ( -0.000 0.746 -0.000) 0.746 17.101 ( 0.000 -0.029 0.000) 0.029 17.909 ( 0.000 -0.274 0.000) 0.274 17.960 ( -0.000 0.167 -0.000) 0.167 18.998 ( -0.000 0.825 -0.000) 0.825 19.130 ( -0.000 0.940 -0.000) 0.940 19.133 ( -0.000 0.063 -0.000) 0.063 19.322 ( -0.000 1.586 -0.000) 1.586 19.784 ( 0.000 -0.379 0.000) 0.379 20.098 ( 0.000 -3.095 0.000) 3.095 ======================= Grid point 28 (18/93) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 5.306 -0.000 5.722) 7.804 0.743 ( 1.211 -0.000 3.856) 4.042 0.967 ( 0.847 -0.000 -1.698) 1.898 0.981 ( 3.670 -0.000 -4.008) 5.435 1.122 ( -4.224 0.000 -0.597) 4.266 1.338 ( -0.389 0.000 -1.380) 1.434 1.436 ( -3.111 0.000 -8.333) 8.895 1.485 ( -3.964 0.000 1.373) 4.196 1.642 ( -13.363 0.000 -12.683) 18.424 1.669 ( 3.670 -0.000 2.772) 4.599 1.897 ( -0.925 0.000 -3.612) 3.729 2.005 ( 3.955 -0.000 -3.313) 5.159 2.116 ( -4.320 0.000 2.460) 4.971 2.120 ( 6.866 -0.000 0.803) 6.913 2.336 ( 3.079 -0.000 2.011) 3.677 2.385 ( -3.701 0.000 0.826) 3.792 2.534 ( 1.103 -0.000 -0.419) 1.180 2.681 ( 11.132 -0.000 13.033) 17.140 2.794 ( 0.084 -0.000 7.896) 7.896 2.930 ( 1.993 -0.000 5.673) 6.013 3.051 ( -2.296 0.000 -7.257) 7.611 3.139 ( 2.559 -0.000 2.545) 3.609 3.140 ( 5.057 -0.000 -2.410) 5.602 3.232 ( -1.098 0.000 1.686) 2.012 3.297 ( 5.284 -0.000 -1.390) 5.464 3.334 ( 0.046 -0.000 -2.534) 2.535 3.355 ( 0.726 -0.000 -1.122) 1.336 3.399 ( -1.433 0.000 1.602) 2.149 3.459 ( -1.493 0.000 -0.672) 1.637 3.465 ( 5.422 -0.000 -0.930) 5.501 3.760 ( -1.660 0.000 -3.136) 3.548 3.781 ( -3.389 0.000 -0.602) 3.442 3.908 ( -5.168 0.000 1.531) 5.390 4.007 ( -0.680 0.000 0.253) 0.725 4.105 ( -2.904 0.000 1.235) 3.156 4.141 ( -1.689 0.000 1.465) 2.236 4.569 ( 1.601 -0.000 1.518) 2.206 4.601 ( 1.674 -0.000 1.110) 2.009 4.679 ( -3.743 0.000 -4.886) 6.155 4.869 ( 0.320 -0.000 0.273) 0.421 5.158 ( -4.547 0.000 -5.228) 6.929 5.428 ( 3.359 -0.000 3.700) 4.997 5.839 ( -1.953 0.000 -1.820) 2.670 5.964 ( 2.599 -0.000 3.152) 4.085 6.539 ( -0.458 0.000 -0.177) 0.491 6.560 ( 0.653 -0.000 1.483) 1.621 6.793 ( -2.347 0.000 -3.322) 4.068 6.927 ( 1.420 -0.000 1.343) 1.955 7.384 ( -0.972 0.000 -0.473) 1.081 7.416 ( 0.529 -0.000 0.934) 1.073 7.627 ( -0.749 0.000 -0.720) 1.038 7.671 ( 0.571 -0.000 0.580) 0.813 7.916 ( 0.025 -0.000 -0.079) 0.083 7.918 ( 0.161 -0.000 0.072) 0.176 16.317 ( -0.486 0.000 -0.084) 0.494 16.406 ( -1.201 0.000 -0.454) 1.284 17.164 ( 0.843 -0.000 0.698) 1.095 17.201 ( 0.242 -0.000 -0.410) 0.476 17.862 ( -0.596 0.000 -0.437) 0.739 17.936 ( -0.017 0.000 -0.022) 0.027 19.049 ( 1.127 -0.000 -0.147) 1.137 19.123 ( 2.661 -0.000 2.561) 3.693 19.229 ( 0.170 -0.000 -2.614) 2.619 19.361 ( 3.232 -0.000 1.717) 3.659 19.828 ( -7.524 0.000 -4.757) 8.902 19.921 ( 1.258 -0.000 4.114) 4.302 ======================= Grid point 29 (19/93) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 2.218 0.479 1.711) 2.842 0.763 ( -0.815 -0.577 0.084) 1.002 0.972 ( 1.163 2.157 -0.808) 2.580 1.007 ( 0.907 -4.259 -1.121) 4.497 1.106 ( -0.449 0.283 0.992) 1.125 1.305 ( -0.585 2.133 -1.739) 2.814 1.355 ( -3.956 0.386 -6.067) 7.253 1.496 ( -2.251 -1.435 1.303) 2.971 1.527 ( -5.660 -2.852 -5.464) 8.368 1.682 ( 1.432 2.339 -0.357) 2.765 1.838 ( 0.767 3.558 -0.448) 3.667 1.965 ( 0.701 2.943 -2.084) 3.674 2.109 ( 0.816 2.900 1.881) 3.551 2.236 ( 3.863 -6.218 0.361) 7.329 2.332 ( -2.706 -0.977 0.359) 2.899 2.428 ( -0.755 -4.525 1.337) 4.779 2.547 ( 1.101 -0.430 -0.603) 1.327 2.799 ( 3.663 2.823 10.072) 11.083 2.831 ( 4.494 -0.331 6.258) 7.712 2.929 ( -3.379 2.179 -6.202) 7.391 2.998 ( 2.778 1.350 5.011) 5.886 3.123 ( 1.095 3.049 0.691) 3.313 3.136 ( 2.095 7.159 -3.519) 8.248 3.186 ( 4.004 0.826 0.578) 4.129 3.277 ( -3.965 0.281 -3.394) 5.227 3.357 ( 1.202 -3.269 -0.710) 3.555 3.403 ( -1.635 -3.759 0.745) 4.167 3.427 ( 0.730 -0.488 -1.179) 1.471 3.458 ( -0.590 -1.425 -0.717) 1.701 3.561 ( 3.194 -5.319 1.728) 6.440 3.744 ( -1.723 0.734 -0.808) 2.040 3.759 ( 2.210 -0.537 -1.499) 2.724 3.872 ( -5.875 -0.884 1.264) 6.074 3.982 ( -0.659 2.461 0.243) 2.560 4.093 ( -0.638 -0.576 0.041) 0.861 4.150 ( -1.099 -1.208 0.823) 1.829 4.574 ( 0.440 1.220 0.354) 1.345 4.610 ( 0.773 0.484 0.880) 1.267 4.645 ( -1.841 -0.953 -2.964) 3.617 4.882 ( 0.213 -1.090 0.161) 1.122 5.115 ( -2.438 -0.634 -2.806) 3.771 5.460 ( 1.688 0.259 1.858) 2.523 5.817 ( -1.022 0.332 -0.931) 1.422 5.993 ( 1.463 -0.052 1.761) 2.290 6.538 ( -0.211 -0.250 -0.085) 0.338 6.573 ( 0.586 -0.111 1.111) 1.261 6.763 ( -1.558 0.059 -2.175) 2.676 6.939 ( 0.742 0.202 0.701) 1.041 7.374 ( -0.481 0.266 -0.281) 0.618 7.421 ( 0.286 0.181 0.482) 0.589 7.618 ( -0.417 0.201 -0.397) 0.610 7.675 ( 0.302 0.204 0.311) 0.478 7.915 ( 0.012 0.138 -0.040) 0.145 7.918 ( 0.083 0.177 0.036) 0.199 16.319 ( -0.279 -0.721 -0.117) 0.782 16.396 ( -0.531 0.015 -0.252) 0.588 17.147 ( 0.364 2.494 0.234) 2.531 17.191 ( 0.204 1.331 -0.078) 1.349 17.863 ( -0.267 -0.667 -0.213) 0.749 17.941 ( -0.029 -0.508 -0.037) 0.511 19.048 ( 0.734 0.910 -0.013) 1.169 19.149 ( 1.836 0.429 2.319) 2.989 19.210 ( -0.494 0.749 -2.313) 2.481 19.384 ( 1.873 0.711 1.195) 2.333 19.760 ( -4.250 -0.196 -2.750) 5.066 19.960 ( 0.722 -1.588 2.073) 2.709 ======================= Grid point 30 (20/93) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -0.000 2.656 -0.000) 2.656 0.765 ( 0.000 -0.722 0.000) 0.722 0.939 ( -0.000 1.048 -0.000) 1.048 1.082 ( -0.000 2.736 -0.000) 2.736 1.109 ( 0.000 -6.613 0.000) 6.613 1.284 ( 0.000 -0.131 0.000) 0.131 1.310 ( 0.000 -0.013 0.000) 0.013 1.509 ( 0.000 -2.259 0.000) 2.259 1.558 ( 0.000 -0.630 0.000) 0.630 1.628 ( -0.000 2.857 -0.000) 2.857 1.788 ( -0.000 3.121 -0.000) 3.121 1.945 ( 0.000 -1.787 0.000) 1.787 2.035 ( -0.000 5.119 -0.000) 5.119 2.338 ( 0.000 -0.398 0.000) 0.398 2.382 ( 0.000 -7.508 0.000) 7.508 2.509 ( 0.000 -4.207 0.000) 4.207 2.539 ( -0.000 2.190 -0.000) 2.190 2.744 ( -0.000 5.164 -0.000) 5.164 2.875 ( -0.000 1.227 -0.000) 1.227 2.882 ( -0.000 0.129 -0.000) 0.129 2.985 ( -0.000 8.679 -0.000) 8.679 2.996 ( -0.000 1.548 -0.000) 1.548 3.122 ( 0.000 -0.574 0.000) 0.574 3.161 ( -0.000 0.827 -0.000) 0.827 3.296 ( 0.000 -3.316 0.000) 3.316 3.401 ( 0.000 -1.402 0.000) 1.402 3.429 ( 0.000 -1.736 0.000) 1.736 3.457 ( -0.000 0.237 -0.000) 0.237 3.457 ( 0.000 -0.505 0.000) 0.505 3.651 ( 0.000 -2.403 0.000) 2.403 3.734 ( 0.000 -0.460 0.000) 0.460 3.774 ( -0.000 0.151 -0.000) 0.151 3.895 ( 0.000 -4.642 0.000) 4.642 3.921 ( -0.000 4.040 -0.000) 4.040 4.118 ( 0.000 -2.405 0.000) 2.405 4.166 ( 0.000 -0.850 0.000) 0.850 4.545 ( -0.000 2.149 -0.000) 2.149 4.605 ( -0.000 0.212 -0.000) 0.212 4.650 ( 0.000 -0.749 0.000) 0.749 4.909 ( 0.000 -1.713 0.000) 1.713 5.114 ( 0.000 -0.950 0.000) 0.950 5.465 ( -0.000 0.327 -0.000) 0.327 5.802 ( -0.000 0.548 -0.000) 0.548 6.005 ( 0.000 -0.105 0.000) 0.105 6.542 ( 0.000 -0.338 0.000) 0.338 6.581 ( 0.000 -0.165 0.000) 0.165 6.749 ( -0.000 0.076 -0.000) 0.076 6.939 ( -0.000 0.287 -0.000) 0.287 7.365 ( -0.000 0.387 -0.000) 0.387 7.419 ( -0.000 0.274 -0.000) 0.274 7.611 ( -0.000 0.275 -0.000) 0.275 7.673 ( -0.000 0.278 -0.000) 0.278 7.912 ( -0.000 0.203 -0.000) 0.203 7.914 ( -0.000 0.270 -0.000) 0.270 16.335 ( 0.000 -1.083 0.000) 1.083 16.393 ( -0.000 0.100 -0.000) 0.100 17.095 ( -0.000 3.316 -0.000) 3.316 17.158 ( -0.000 2.353 -0.000) 2.353 17.878 ( 0.000 -1.091 0.000) 1.091 17.951 ( 0.000 -0.609 0.000) 0.609 19.031 ( -0.000 1.202 -0.000) 1.202 19.157 ( -0.000 0.551 -0.000) 0.551 19.176 ( -0.000 1.618 -0.000) 1.618 19.375 ( -0.000 1.336 -0.000) 1.336 19.748 ( 0.000 -1.031 0.000) 1.031 20.003 ( 0.000 -2.356 0.000) 2.356 ======================= Grid point 39 (21/93) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 0.000 -0.000 0.000) 0.000 0.757 ( 0.000 -0.000 0.000) 0.000 0.966 ( 0.000 -0.000 -0.000) 0.000 1.006 ( 0.000 -0.000 -0.000) 0.000 1.106 ( 0.000 -0.000 -0.000) 0.000 1.318 ( 0.000 -0.000 0.000) 0.000 1.340 ( 0.000 -0.000 0.000) 0.000 1.434 ( 0.000 -0.000 0.000) 0.000 1.476 ( 0.000 -0.000 0.000) 0.000 1.717 ( -0.000 0.000 -0.000) 0.000 1.877 ( 0.000 -0.000 -0.000) 0.000 1.993 ( 0.000 -0.000 0.000) 0.000 2.123 ( 0.000 -0.000 -0.000) 0.000 2.241 ( -0.000 0.000 0.000) 0.000 2.293 ( 0.000 -0.000 -0.000) 0.000 2.369 ( 0.000 -0.000 -0.000) 0.000 2.549 ( 0.000 -0.000 0.000) 0.000 2.854 ( 0.000 -0.000 -0.000) 0.000 2.855 ( 0.000 -0.000 0.000) 0.000 2.969 ( 0.000 -0.000 -0.000) 0.000 3.007 ( 0.000 -0.000 0.000) 0.000 3.173 ( 0.000 -0.000 -0.000) 0.000 3.177 ( 0.000 -0.000 0.000) 0.000 3.237 ( 0.000 -0.000 -0.000) 0.000 3.281 ( 0.000 -0.000 0.000) 0.000 3.324 ( -0.000 0.000 0.000) 0.000 3.372 ( 0.000 -0.000 0.000) 0.000 3.374 ( 0.000 -0.000 -0.000) 0.000 3.441 ( 0.000 -0.000 -0.000) 0.000 3.531 ( 0.000 -0.000 0.000) 0.000 3.736 ( 0.000 -0.000 -0.000) 0.000 3.776 ( -0.000 0.000 -0.000) 0.000 3.829 ( 0.000 -0.000 -0.000) 0.000 4.004 ( 0.000 -0.000 0.000) 0.000 4.085 ( 0.000 -0.000 -0.000) 0.000 4.136 ( 0.000 -0.000 -0.000) 0.000 4.591 ( 0.000 -0.000 -0.000) 0.000 4.617 ( 0.000 -0.000 0.000) 0.000 4.623 ( 0.000 -0.000 -0.000) 0.000 4.872 ( 0.000 -0.000 0.000) 0.000 5.091 ( 0.000 -0.000 -0.000) 0.000 5.474 ( 0.000 -0.000 0.000) 0.000 5.814 ( 0.000 -0.000 -0.000) 0.000 6.003 ( 0.000 -0.000 0.000) 0.000 6.534 ( 0.000 -0.000 -0.000) 0.000 6.578 ( 0.000 -0.000 0.000) 0.000 6.751 ( 0.000 -0.000 -0.000) 0.000 6.945 ( 0.000 -0.000 0.000) 0.000 7.373 ( 0.000 -0.000 0.000) 0.000 7.425 ( 0.000 -0.000 0.000) 0.000 7.617 ( 0.000 -0.000 0.000) 0.000 7.679 ( 0.000 -0.000 0.000) 0.000 7.916 ( 0.000 -0.000 -0.000) 0.000 7.920 ( 0.000 -0.000 -0.000) 0.000 16.311 ( 0.000 -0.000 -0.000) 0.000 16.393 ( 0.000 -0.000 0.000) 0.000 17.174 ( 0.000 -0.000 0.000) 0.000 17.202 ( 0.000 -0.000 0.000) 0.000 17.855 ( 0.000 -0.000 0.000) 0.000 17.936 ( 0.000 -0.000 -0.000) 0.000 19.061 ( 0.000 -0.000 -0.000) 0.000 19.167 ( -0.000 0.000 -0.000) 0.000 19.208 ( 0.000 -0.000 0.000) 0.000 19.402 ( 0.000 -0.000 0.000) 0.000 19.732 ( 0.000 -0.000 0.000) 0.000 19.953 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 69 (22/93) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.225 ( 0.523 -0.000 12.381) 12.392 0.309 ( 4.273 -0.000 15.738) 16.308 0.590 ( 14.805 -0.000 28.152) 31.808 0.894 ( 2.185 -0.000 2.275) 3.154 1.042 ( -2.195 0.000 -6.560) 6.918 1.363 ( -1.816 0.000 -2.252) 2.893 1.556 ( -2.345 0.000 -1.250) 2.658 1.635 ( 5.955 -0.000 0.067) 5.955 1.742 ( -0.921 0.000 -0.550) 1.073 1.828 ( -3.259 0.000 -5.043) 6.004 1.877 ( 1.327 -0.000 3.051) 3.327 2.098 ( -5.546 0.000 2.078) 5.922 2.110 ( 5.086 -0.000 -3.267) 6.045 2.175 ( 7.659 -0.000 -1.292) 7.767 2.221 ( -2.454 0.000 -3.752) 4.483 2.490 ( -4.928 0.000 -2.371) 5.468 2.596 ( 4.885 -0.000 3.136) 5.805 2.631 ( -9.244 0.000 0.663) 9.268 2.752 ( 0.698 -0.000 -0.761) 1.033 2.777 ( -9.974 0.000 -3.251) 10.491 2.863 ( 1.120 -0.000 1.087) 1.561 2.976 ( -0.030 0.000 0.548) 0.549 3.025 ( 2.959 -0.000 1.994) 3.569 3.037 ( 4.398 -0.000 3.805) 5.816 3.209 ( -1.992 0.000 -0.589) 2.078 3.260 ( -1.510 0.000 -3.707) 4.003 3.355 ( -2.038 0.000 -1.525) 2.546 3.401 ( -1.679 0.000 -4.201) 4.524 3.544 ( -1.532 0.000 -3.658) 3.965 3.553 ( -0.099 0.000 -0.903) 0.908 3.792 ( 3.264 -0.000 6.283) 7.081 3.914 ( -1.290 0.000 1.060) 1.670 4.071 ( -0.096 0.000 0.213) 0.234 4.083 ( 0.209 -0.000 -4.135) 4.140 4.211 ( 0.264 -0.000 1.910) 1.928 4.280 ( 0.969 -0.000 1.249) 1.580 4.451 ( 0.849 -0.000 3.325) 3.432 4.536 ( -0.366 0.000 -0.309) 0.479 4.761 ( 3.562 -0.000 1.928) 4.050 4.879 ( -1.476 0.000 -2.055) 2.530 5.133 ( 3.491 -0.000 3.950) 5.272 5.453 ( -2.458 0.000 -2.988) 3.869 5.804 ( 1.277 -0.000 2.118) 2.473 6.007 ( -2.440 0.000 -2.951) 3.829 6.533 ( 0.238 -0.000 0.598) 0.643 6.580 ( -0.507 0.000 -0.401) 0.646 6.786 ( 3.691 -0.000 1.722) 4.073 6.924 ( -1.242 0.000 -1.582) 2.011 7.370 ( 0.523 -0.000 1.221) 1.328 7.471 ( 0.079 -0.000 -1.209) 1.212 7.624 ( 0.491 -0.000 0.584) 0.762 7.672 ( -0.436 0.000 -0.570) 0.717 7.910 ( 0.034 -0.000 0.071) 0.079 7.916 ( -0.036 0.000 -0.084) 0.091 16.330 ( -0.126 0.000 1.498) 1.503 16.473 ( 5.518 -0.000 -1.996) 5.868 17.107 ( 0.277 -0.000 1.378) 1.406 17.202 ( -0.127 0.000 -0.971) 0.980 17.888 ( 1.520 -0.000 0.455) 1.586 17.931 ( 0.510 -0.000 -0.562) 0.759 18.970 ( 0.674 -0.000 1.313) 1.475 19.073 ( -2.019 0.000 -1.143) 2.320 19.170 ( 2.010 -0.000 0.816) 2.169 19.278 ( -7.519 0.000 -2.242) 7.846 19.789 ( 1.746 -0.000 5.983) 6.232 20.208 ( -1.705 0.000 -4.522) 4.833 ======================= Grid point 70 (23/93) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.349 ( 5.136 -5.601 10.457) 12.926 0.505 ( 6.349 -7.306 10.824) 14.521 0.882 ( 13.334 -1.603 9.145) 16.248 0.915 ( 2.915 -0.798 -0.001) 3.022 1.054 ( 2.516 -5.337 4.653) 7.515 1.340 ( -1.301 0.017 -0.599) 1.432 1.458 ( -6.094 4.003 -3.091) 7.919 1.629 ( -2.171 4.201 -6.073) 7.697 1.712 ( -3.008 0.821 -1.210) 3.344 1.775 ( 1.620 0.839 -1.685) 2.483 1.937 ( 9.728 1.937 9.643) 13.834 2.030 ( -6.880 1.008 -2.495) 7.388 2.145 ( 8.238 4.164 -1.394) 9.336 2.187 ( -3.015 -4.845 -0.484) 5.728 2.266 ( 0.364 -3.182 -0.837) 3.311 2.425 ( -8.091 -1.998 -8.637) 12.002 2.565 ( -5.359 -0.211 0.561) 5.393 2.652 ( 7.900 2.264 3.911) 9.101 2.685 ( -9.805 -0.863 -3.763) 10.538 2.762 ( -1.380 4.412 1.999) 5.036 2.833 ( 3.706 -0.367 -0.862) 3.823 3.016 ( 1.586 -2.821 -2.045) 3.828 3.052 ( 4.689 1.938 1.983) 5.448 3.159 ( 2.272 -4.987 0.277) 5.487 3.204 ( -0.047 -2.102 -3.360) 3.964 3.282 ( -0.565 -3.725 0.104) 3.769 3.329 ( -0.260 0.921 -1.651) 1.909 3.400 ( -1.259 -2.181 1.114) 2.754 3.468 ( -0.227 2.009 -3.524) 4.062 3.583 ( -1.099 -2.537 -1.133) 2.988 3.823 ( 1.253 1.626 4.445) 4.897 3.908 ( -0.836 0.776 2.202) 2.480 4.015 ( -1.290 2.524 -0.810) 2.948 4.110 ( -1.827 -3.121 -3.383) 4.952 4.195 ( -2.450 2.451 2.233) 4.123 4.253 ( -1.450 1.681 1.017) 2.442 4.471 ( 1.624 0.403 3.616) 3.985 4.553 ( 0.172 -1.227 -0.376) 1.295 4.790 ( 3.330 0.886 2.136) 4.054 4.863 ( -2.312 -1.202 -3.083) 4.037 5.197 ( 5.213 -0.402 5.801) 7.810 5.404 ( -4.266 0.280 -4.758) 6.397 5.829 ( 2.128 0.155 3.031) 3.706 5.963 ( -3.026 0.359 -3.610) 4.724 6.541 ( 0.268 -0.226 0.779) 0.854 6.572 ( -0.781 -0.035 -0.580) 0.973 6.816 ( 3.244 0.572 2.525) 4.151 6.901 ( -1.809 0.094 -2.369) 2.982 7.380 ( 0.684 0.225 1.491) 1.656 7.441 ( -1.133 1.400 -0.515) 1.873 7.631 ( 0.804 0.203 0.816) 1.164 7.663 ( -0.646 0.182 -0.818) 1.058 7.910 ( 0.088 0.111 0.091) 0.168 7.914 ( -0.007 0.134 -0.103) 0.169 16.340 ( -0.273 -0.484 1.468) 1.570 16.447 ( 0.999 2.669 -0.679) 2.930 17.101 ( 0.574 1.835 1.626) 2.518 17.182 ( -0.019 1.598 -1.261) 2.036 17.893 ( 0.016 -0.015 0.367) 0.368 17.938 ( 0.572 -0.548 -0.576) 0.979 18.987 ( 1.771 0.066 1.695) 2.452 19.054 ( -1.780 -0.174 -1.776) 2.520 19.201 ( 3.177 -0.358 0.882) 3.316 19.237 ( -2.359 -0.511 -1.161) 2.678 19.839 ( 1.922 -0.429 6.937) 7.211 20.151 ( -4.274 1.010 -5.985) 7.423 ======================= Grid point 71 (24/93) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 5.520 -7.710 6.895) 11.724 0.721 ( 4.403 -7.544 5.022) 10.076 0.924 ( 1.739 -1.726 -3.614) 4.366 0.971 ( 5.056 -1.748 -6.104) 8.116 1.264 ( 6.840 -2.881 10.007) 12.459 1.325 ( -7.464 1.869 -1.975) 7.944 1.340 ( 1.271 0.950 1.646) 2.286 1.477 ( -3.747 4.539 -5.432) 8.009 1.660 ( -2.927 1.357 1.494) 3.556 1.745 ( -1.684 3.120 -1.954) 4.048 1.975 ( -2.286 -1.871 -4.977) 5.787 2.036 ( 7.854 2.395 8.155) 11.573 2.091 ( 0.202 4.493 3.163) 5.499 2.227 ( -1.754 -0.938 -5.944) 6.268 2.284 ( -5.167 -4.089 -1.089) 6.679 2.431 ( -1.021 -6.469 -1.026) 6.630 2.534 ( -2.677 3.929 0.107) 4.755 2.592 ( 0.052 1.776 -3.198) 3.658 2.658 ( 0.621 1.295 0.524) 1.529 2.746 ( 6.925 1.791 5.379) 8.950 2.866 ( 1.084 -0.132 0.490) 1.197 3.008 ( 1.664 3.957 3.300) 5.415 3.099 ( 1.570 -5.100 -4.106) 6.733 3.205 ( -3.410 -0.878 -6.882) 7.730 3.240 ( -0.062 2.273 -3.368) 4.063 3.290 ( 4.341 -3.068 -1.889) 5.641 3.333 ( 0.484 -2.883 2.208) 3.664 3.464 ( 1.388 -1.127 -1.768) 2.514 3.511 ( 1.196 -6.067 5.919) 8.560 3.622 ( -0.863 -3.391 -0.024) 3.499 3.804 ( -0.665 2.446 2.780) 3.762 3.878 ( -2.084 2.132 0.347) 3.001 3.968 ( -0.711 2.266 2.409) 3.382 4.076 ( -5.413 2.633 -3.914) 7.180 4.154 ( -2.119 -0.234 0.356) 2.162 4.229 ( 0.130 0.652 0.637) 0.921 4.501 ( 1.998 -0.062 3.536) 4.062 4.561 ( -0.336 -0.059 -1.221) 1.268 4.815 ( 1.912 -0.200 1.825) 2.651 4.850 ( -2.051 -1.168 -3.236) 4.005 5.276 ( 5.423 -0.179 6.039) 8.118 5.335 ( -5.172 0.096 -5.893) 7.841 5.863 ( 2.956 0.151 3.758) 4.783 5.914 ( -3.040 0.448 -3.743) 4.843 6.552 ( 0.287 -0.254 0.819) 0.904 6.564 ( -0.704 -0.088 -0.552) 0.899 6.846 ( 2.939 0.300 2.744) 4.032 6.870 ( -2.248 0.074 -2.924) 3.690 7.387 ( 0.736 0.366 1.405) 1.628 7.409 ( -1.054 0.896 -0.671) 1.538 7.637 ( 0.682 0.325 0.789) 1.092 7.649 ( -0.597 0.241 -0.822) 1.045 7.908 ( 0.100 0.164 0.087) 0.211 7.911 ( 0.019 0.176 -0.094) 0.200 16.354 ( -0.434 -0.730 0.902) 1.239 16.415 ( 0.222 1.297 -0.327) 1.356 17.073 ( 0.439 2.499 1.492) 2.943 17.139 ( 0.290 2.397 -1.222) 2.706 17.898 ( -0.555 -0.585 0.417) 0.908 17.951 ( 0.480 -0.662 -0.592) 1.010 19.007 ( 1.459 0.402 1.223) 1.946 19.036 ( -0.367 0.048 -1.147) 1.205 19.231 ( -1.033 -0.780 -1.605) 2.061 19.241 ( 3.475 -0.395 1.573) 3.835 19.896 ( 1.787 -0.454 6.406) 6.666 20.056 ( -5.374 1.651 -6.034) 8.247 ======================= Grid point 72 (25/93) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 1.314 -4.562 1.545) 4.993 0.881 ( -0.264 -6.925 -2.106) 7.243 0.953 ( 2.634 -1.539 -2.204) 3.764 1.032 ( 5.964 -3.377 -4.013) 7.942 1.207 ( -10.432 0.791 -3.643) 11.078 1.298 ( -2.286 1.658 -0.790) 2.933 1.349 ( 4.286 3.092 4.503) 6.943 1.442 ( 2.076 -0.998 3.751) 4.401 1.616 ( -4.308 2.473 0.269) 4.975 1.672 ( 0.012 1.876 0.325) 1.904 1.918 ( -10.358 1.647 -8.774) 13.674 1.993 ( -0.739 -1.544 -3.803) 4.171 2.109 ( -0.985 -0.800 -0.784) 1.492 2.269 ( 11.166 1.625 13.757) 17.793 2.284 ( -0.339 2.566 -1.538) 3.011 2.422 ( -0.971 3.270 -0.838) 3.512 2.564 ( -0.480 -7.501 2.167) 7.822 2.585 ( 4.547 0.715 -5.132) 6.894 2.658 ( 0.372 -0.382 0.366) 0.647 2.797 ( 4.573 2.167 6.549) 8.276 2.836 ( 1.063 3.673 0.786) 3.903 2.994 ( -0.142 1.873 1.010) 2.132 3.115 ( -2.445 -1.451 -2.418) 3.732 3.192 ( 1.912 -3.847 -2.492) 4.967 3.241 ( 0.741 -0.621 1.145) 1.498 3.336 ( 1.736 -2.764 -3.427) 4.733 3.427 ( 2.365 -2.716 1.272) 3.820 3.478 ( -0.580 -0.926 -1.690) 2.012 3.629 ( 1.187 -3.191 3.202) 4.674 3.674 ( -1.641 -2.310 0.704) 2.920 3.763 ( -1.168 2.259 1.785) 3.107 3.817 ( -2.714 1.652 -1.241) 3.411 3.921 ( -2.524 4.940 -0.341) 5.558 3.968 ( -1.158 1.785 0.227) 2.140 4.143 ( -1.357 -0.680 -0.695) 1.669 4.236 ( 0.556 -0.413 0.300) 0.755 4.525 ( 0.078 0.751 0.343) 0.829 4.548 ( 1.047 0.198 0.806) 1.336 4.805 ( -4.316 -0.999 -4.894) 6.601 4.876 ( 2.810 -0.897 2.775) 4.050 5.265 ( -5.055 -0.137 -5.898) 7.769 5.345 ( 4.658 -0.000 5.270) 7.033 5.864 ( -2.793 0.522 -3.380) 4.415 5.906 ( 3.405 -0.009 3.967) 5.228 6.557 ( -0.384 0.001 -0.217) 0.441 6.563 ( 0.311 -0.151 0.581) 0.676 6.836 ( -2.559 -0.051 -3.172) 4.076 6.877 ( 2.397 0.089 2.439) 3.421 7.384 ( -0.868 0.525 -0.722) 1.245 7.394 ( 0.671 0.285 0.993) 1.232 7.630 ( -0.746 0.248 -0.778) 1.106 7.647 ( 0.740 0.159 0.704) 1.034 7.907 ( 0.055 0.133 0.052) 0.153 7.908 ( 0.032 0.104 -0.056) 0.122 16.366 ( -0.435 -0.694 0.201) 0.843 16.398 ( -0.032 0.689 -0.387) 0.791 17.040 ( -0.066 1.845 0.984) 2.092 17.100 ( 0.625 1.683 -0.736) 1.941 17.907 ( -0.550 -0.580 0.403) 0.895 17.961 ( 0.298 -0.426 -0.634) 0.820 19.005 ( -0.133 0.179 -0.165) 0.277 19.042 ( 1.788 0.344 0.945) 2.051 19.224 ( -1.445 -0.600 -2.498) 2.948 19.283 ( 2.871 -0.261 2.285) 3.679 19.921 ( -2.890 0.826 -0.630) 3.071 19.984 ( 0.073 0.088 0.536) 0.548 ======================= Grid point 73 (26/93) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -5.169 -0.167 -3.688) 6.352 0.895 ( -2.227 -0.798 -6.538) 6.953 0.985 ( -5.511 1.657 -3.032) 6.505 1.104 ( -5.007 -3.518 -4.109) 7.370 1.149 ( 5.458 -2.052 2.483) 6.338 1.269 ( -0.981 0.094 0.328) 1.038 1.351 ( 3.092 2.123 4.324) 5.724 1.504 ( 0.561 -2.073 3.860) 4.417 1.556 ( 0.564 1.386 -0.812) 1.702 1.646 ( -0.277 0.968 -1.863) 2.117 1.791 ( -9.443 -1.213 -5.272) 10.883 1.965 ( -3.185 0.779 -1.139) 3.471 2.142 ( 2.280 -2.689 -4.269) 5.536 2.205 ( -0.301 1.818 -1.987) 2.710 2.391 ( 5.206 3.247 0.595) 6.165 2.401 ( 8.097 1.693 11.714) 14.340 2.574 ( 1.022 -0.169 -5.552) 5.648 2.647 ( -0.495 0.471 1.173) 1.358 2.672 ( 0.369 -0.411 0.962) 1.109 2.797 ( 1.942 1.511 5.711) 6.218 2.839 ( 0.389 -2.371 2.178) 3.243 2.946 ( 1.473 2.248 -0.644) 2.764 3.166 ( -1.768 -3.518 2.814) 4.840 3.272 ( 2.091 -2.625 0.595) 3.408 3.279 ( 2.906 -1.615 3.423) 4.772 3.378 ( 0.309 -2.138 -2.843) 3.570 3.438 ( -1.738 1.048 -1.012) 2.268 3.489 ( -0.127 -0.953 -1.066) 1.436 3.626 ( -5.942 1.990 -0.183) 6.269 3.687 ( 0.223 1.957 0.283) 1.989 3.710 ( -2.491 1.086 -0.737) 2.816 3.786 ( 0.435 1.731 -0.907) 2.002 3.813 ( -1.510 0.697 -2.875) 3.322 3.985 ( 3.558 -0.291 3.140) 4.754 4.162 ( 1.393 -1.442 0.163) 2.012 4.243 ( -0.078 0.010 0.006) 0.079 4.490 ( -1.460 1.264 -1.411) 2.392 4.575 ( 2.026 -0.159 2.012) 2.860 4.754 ( -4.946 -0.524 -5.507) 7.421 4.924 ( 2.199 -0.468 2.531) 3.386 5.203 ( -4.196 0.002 -4.934) 6.477 5.402 ( 3.559 -0.109 4.017) 5.368 5.821 ( -2.187 0.395 -2.547) 3.380 5.953 ( 3.166 -0.182 3.491) 4.716 6.552 ( -0.238 0.178 -0.234) 0.378 6.571 ( 0.618 0.045 0.706) 0.939 6.801 ( -2.650 -0.153 -3.024) 4.024 6.904 ( 1.675 -0.069 1.863) 2.506 7.367 ( -0.737 0.215 -0.761) 1.081 7.401 ( 0.613 0.110 0.773) 0.993 7.617 ( -0.707 0.010 -0.819) 1.082 7.655 ( 0.666 -0.010 0.713) 0.976 7.905 ( -0.016 0.036 0.016) 0.042 7.908 ( 0.016 -0.038 -0.018) 0.045 16.371 ( -0.344 -0.103 -0.210) 0.416 16.384 ( -0.227 0.520 -0.466) 0.734 17.022 ( -0.580 0.269 0.546) 0.840 17.090 ( 0.651 -0.222 -0.265) 0.738 17.912 ( -0.313 -0.112 0.474) 0.579 17.963 ( 0.085 0.063 -0.759) 0.766 19.004 ( -0.386 -0.166 0.113) 0.435 19.055 ( 1.854 0.418 1.422) 2.374 19.204 ( -2.136 -0.339 -2.946) 3.654 19.313 ( 1.276 0.080 2.283) 2.616 19.851 ( -3.818 1.296 -3.488) 5.331 20.031 ( 3.541 -1.298 3.162) 4.922 ======================= Grid point 74 (27/93) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -10.164 2.752 -4.444) 11.429 0.801 ( -12.656 6.202 -4.134) 14.688 0.849 ( -2.389 0.217 -6.000) 6.462 1.107 ( -1.737 4.382 -1.010) 4.820 1.150 ( 0.770 4.799 2.676) 5.548 1.286 ( 3.746 -1.908 -1.254) 4.387 1.393 ( 1.722 -2.260 2.854) 4.028 1.564 ( 1.866 -3.261 1.229) 3.953 1.589 ( 2.312 -2.550 2.042) 4.002 1.632 ( -0.830 -2.063 -4.554) 5.068 1.759 ( -4.234 -2.710 -0.733) 5.080 1.949 ( -1.409 -1.924 -1.002) 2.586 2.108 ( 2.005 3.540 -2.218) 4.633 2.274 ( -0.214 -6.161 -2.689) 6.726 2.372 ( 5.539 3.074 1.410) 6.490 2.425 ( 0.774 2.967 2.619) 4.032 2.556 ( -3.094 -0.716 -2.542) 4.068 2.651 ( 7.982 1.896 3.026) 8.744 2.674 ( -1.078 1.097 1.722) 2.309 2.793 ( -2.089 0.516 3.746) 4.320 2.939 ( 2.871 1.189 2.259) 3.842 2.947 ( 0.386 -5.669 2.719) 6.299 3.212 ( -1.247 -1.179 3.112) 3.554 3.277 ( -0.577 1.015 -2.585) 2.836 3.314 ( -5.383 2.556 -2.771) 6.572 3.389 ( 1.318 -1.880 2.818) 3.635 3.438 ( 4.200 0.465 0.788) 4.298 3.479 ( -0.561 1.014 -2.336) 2.608 3.516 ( -3.190 3.945 1.277) 5.232 3.612 ( -3.346 2.191 -0.630) 4.049 3.689 ( -2.078 0.315 -1.630) 2.660 3.788 ( 0.702 -2.449 0.294) 2.565 3.826 ( 1.293 -1.635 -1.476) 2.554 4.044 ( 5.229 -0.560 2.058) 5.647 4.203 ( 3.371 -0.782 -0.346) 3.477 4.233 ( -0.425 0.881 -0.006) 0.978 4.454 ( -1.543 0.892 -0.471) 1.843 4.595 ( 1.162 0.434 1.100) 1.658 4.702 ( -3.964 -0.936 -4.484) 6.057 4.946 ( 1.271 0.595 1.443) 2.012 5.150 ( -2.896 0.442 -3.383) 4.475 5.445 ( 2.294 -0.316 2.483) 3.395 5.793 ( -1.263 0.079 -1.358) 1.856 5.993 ( 2.174 -0.255 2.293) 3.170 6.545 ( -0.070 0.380 -0.102) 0.399 6.578 ( 0.813 0.180 0.666) 1.066 6.770 ( -2.356 -0.122 -2.435) 3.390 6.924 ( 0.897 -0.189 1.115) 1.444 7.358 ( -0.460 -0.026 -0.460) 0.651 7.407 ( 0.363 -0.028 0.487) 0.608 7.611 ( -0.429 -0.210 -0.567) 0.741 7.664 ( 0.411 -0.182 0.460) 0.644 7.905 ( -0.068 -0.071 0.001) 0.098 7.910 ( -0.019 -0.172 -0.003) 0.173 16.360 ( -0.246 0.893 0.112) 0.933 16.372 ( -0.440 0.358 -0.973) 1.126 17.028 ( -0.869 -1.388 0.525) 1.719 17.114 ( 0.410 -2.009 -0.232) 2.064 17.909 ( -0.211 0.523 0.546) 0.785 17.954 ( 0.008 0.463 -0.910) 1.021 18.998 ( -1.083 0.240 0.040) 1.110 19.075 ( 2.040 -0.011 1.901) 2.788 19.178 ( -2.406 -0.515 -2.919) 3.817 19.323 ( -0.739 0.074 2.143) 2.268 19.791 ( -1.572 1.495 -1.955) 2.920 20.105 ( 4.088 -2.232 1.605) 4.926 ======================= Grid point 75 (28/93) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( -13.310 4.860 -2.245) 14.347 0.551 ( -12.095 8.824 -2.368) 15.158 0.792 ( -1.731 5.035 -1.724) 5.596 0.890 ( -3.622 10.642 5.355) 12.452 1.137 ( 2.408 1.628 -1.082) 3.102 1.343 ( 5.045 -0.363 0.317) 5.068 1.451 ( 0.243 -2.657 -0.364) 2.693 1.635 ( -3.012 -2.755 -2.483) 4.778 1.646 ( 1.950 -3.659 -6.125) 7.396 1.690 ( 3.540 -4.682 3.250) 6.709 1.812 ( 0.076 -3.861 1.460) 4.128 1.986 ( 1.607 -2.954 -3.435) 4.807 2.071 ( 1.091 1.059 0.324) 1.554 2.301 ( -1.588 -0.430 0.267) 1.666 2.339 ( -1.549 4.754 0.521) 5.027 2.476 ( 5.167 -3.883 1.777) 6.703 2.540 ( -3.577 -2.399 -2.323) 4.893 2.637 ( -2.607 1.309 2.010) 3.543 2.717 ( 8.712 0.835 3.093) 9.282 2.775 ( -4.915 0.045 1.563) 5.158 2.950 ( 1.885 1.326 2.004) 3.054 3.032 ( -2.974 -2.675 -0.464) 4.027 3.165 ( -2.448 4.482 -3.011) 5.929 3.198 ( -3.896 2.484 -1.088) 4.747 3.254 ( -0.231 0.560 0.884) 1.071 3.363 ( -0.383 4.854 0.105) 4.870 3.431 ( -1.714 1.094 -2.655) 3.345 3.457 ( 1.641 -1.415 -3.526) 4.139 3.522 ( 0.899 0.597 3.622) 3.780 3.571 ( -1.003 -0.159 0.982) 1.412 3.673 ( -0.090 -0.575 0.718) 0.925 3.852 ( 0.016 -3.146 2.652) 4.115 3.871 ( 2.006 -2.569 -0.234) 3.268 4.103 ( 4.756 -0.569 1.161) 4.928 4.210 ( -0.238 1.367 0.247) 1.409 4.230 ( 4.803 1.147 -1.865) 5.278 4.432 ( -1.503 0.246 0.994) 1.819 4.586 ( -0.141 1.100 0.114) 1.115 4.691 ( -0.946 -1.737 -1.994) 2.809 4.938 ( 0.285 1.424 0.097) 1.456 5.112 ( -1.070 0.647 -1.250) 1.768 5.472 ( 0.761 -0.366 0.692) 1.092 5.784 ( -0.313 -0.156 -0.151) 0.382 6.017 ( 0.720 -0.242 0.630) 0.987 6.537 ( 0.054 0.447 0.079) 0.457 6.584 ( 0.645 0.198 0.453) 0.813 6.746 ( -1.310 0.048 -1.162) 1.752 6.935 ( 0.138 -0.225 0.249) 0.363 7.356 ( -0.120 -0.157 0.044) 0.203 7.413 ( 0.222 -0.149 0.633) 0.687 7.612 ( -0.072 -0.289 -0.165) 0.340 7.672 ( 0.107 -0.246 0.110) 0.289 7.907 ( -0.073 -0.130 0.011) 0.149 7.913 ( -0.046 -0.216 -0.015) 0.221 16.342 ( -0.216 1.003 0.548) 1.163 16.355 ( -0.032 0.730 -0.455) 0.861 17.057 ( -0.907 -2.130 0.685) 2.414 17.157 ( 0.156 -2.549 -0.464) 2.595 17.895 ( -0.453 0.924 0.468) 1.131 17.941 ( 0.249 0.545 -0.844) 1.035 18.981 ( -1.351 0.451 0.021) 1.424 19.096 ( 1.182 0.417 1.632) 2.058 19.163 ( -1.124 -1.030 -2.469) 2.902 19.325 ( -2.778 -0.971 1.947) 3.528 19.756 ( 0.497 1.488 0.463) 1.636 20.182 ( 3.404 -2.358 -0.558) 4.178 ======================= Grid point 76 (29/93) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.273 ( -6.787 6.680 7.040) 11.843 0.302 ( -5.452 8.653 6.510) 12.124 0.576 ( -2.571 14.337 16.616) 22.096 0.858 ( 1.705 -0.422 2.408) 2.980 1.102 ( -0.329 1.870 -4.155) 4.568 1.374 ( 1.955 0.115 -1.140) 2.266 1.504 ( 0.581 -3.791 -0.786) 3.915 1.626 ( 0.924 0.335 -2.159) 2.372 1.710 ( 2.665 -2.807 -1.690) 4.223 1.814 ( 1.129 -4.821 1.974) 5.330 1.852 ( -2.827 -2.718 -3.816) 5.472 2.049 ( 5.879 -2.944 -4.307) 7.860 2.094 ( 0.486 -1.144 3.328) 3.552 2.217 ( -1.910 6.335 -0.979) 6.689 2.294 ( -3.774 0.215 -2.146) 4.347 2.520 ( -1.738 -0.345 0.672) 1.895 2.556 ( -1.296 -1.092 0.489) 1.764 2.658 ( -1.628 -1.851 2.032) 3.194 2.752 ( 4.294 0.640 0.237) 4.348 2.785 ( -1.445 -3.933 2.754) 5.014 2.911 ( -6.127 2.465 -1.995) 6.899 2.984 ( -1.998 1.860 -0.992) 2.905 3.049 ( -1.574 4.261 -2.779) 5.325 3.147 ( 1.778 6.517 -3.851) 7.776 3.232 ( -1.565 1.180 0.950) 2.178 3.286 ( -1.379 0.941 -0.797) 1.850 3.386 ( -3.213 0.056 -3.325) 4.624 3.458 ( -1.570 0.567 -5.280) 5.538 3.512 ( -1.270 -2.161 -2.062) 3.245 3.584 ( 0.853 0.551 0.763) 1.270 3.723 ( 3.475 -0.906 6.068) 7.051 3.907 ( -1.620 -2.171 0.607) 2.776 3.967 ( 5.247 -4.237 5.846) 8.925 4.135 ( 1.763 1.206 -1.364) 2.534 4.197 ( 0.959 0.318 1.177) 1.551 4.231 ( 5.338 1.403 -0.202) 5.523 4.432 ( -0.885 -0.411 2.328) 2.525 4.562 ( -0.330 1.289 -0.831) 1.568 4.720 ( 1.974 -1.171 0.640) 2.383 4.908 ( -0.680 1.285 -1.156) 1.858 5.104 ( 1.347 0.389 1.410) 1.988 5.475 ( -0.941 -0.203 -1.257) 1.583 5.789 ( 0.444 -0.082 0.892) 1.000 6.022 ( -0.628 -0.452 -0.875) 1.168 6.532 ( 0.167 0.291 0.332) 0.472 6.584 ( -0.068 0.115 -0.068) 0.150 6.745 ( 1.579 -0.140 1.543) 2.212 6.936 ( -0.580 -0.139 -0.683) 0.907 7.361 ( 0.237 -0.150 0.667) 0.723 7.433 ( 1.311 -1.328 1.883) 2.651 7.617 ( 0.227 -0.212 0.263) 0.407 7.675 ( -0.183 -0.172 -0.251) 0.355 7.908 ( -0.031 -0.101 0.039) 0.113 7.916 ( -0.052 -0.146 -0.048) 0.162 16.330 ( -0.136 0.604 1.070) 1.237 16.370 ( 4.589 -1.166 3.795) 6.068 17.088 ( -0.637 -1.540 0.902) 1.895 17.193 ( -0.026 -1.620 -0.791) 1.803 17.879 ( -0.043 0.699 0.892) 1.134 17.933 ( 0.564 0.365 -0.610) 0.908 18.967 ( -0.651 0.222 0.560) 0.887 19.093 ( -0.877 0.380 0.131) 0.964 19.165 ( 0.914 0.062 -1.333) 1.618 19.330 ( -6.147 -2.723 -0.899) 6.783 19.756 ( 1.758 0.707 3.669) 4.130 20.224 ( 1.199 -1.019 -3.210) 3.575 ======================= Grid point 78 (30/93) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( 7.563 -0.000 12.734) 14.811 0.543 ( 7.950 -0.000 10.863) 13.462 0.899 ( -0.047 0.000 -5.572) 5.573 0.933 ( 1.649 -0.000 -7.432) 7.613 1.169 ( 17.556 -0.000 18.408) 25.438 1.333 ( -0.427 0.000 0.425) 0.602 1.413 ( -9.464 0.000 -2.393) 9.761 1.631 ( -3.333 0.000 -7.724) 8.413 1.664 ( -3.753 0.000 -2.932) 4.763 1.798 ( 3.516 -0.000 -0.840) 3.615 1.983 ( -6.079 0.000 -3.465) 6.997 2.083 ( -4.159 0.000 -0.633) 4.207 2.094 ( 10.214 -0.000 11.137) 15.111 2.237 ( -9.675 0.000 -13.635) 16.719 2.253 ( 2.353 -0.000 -2.257) 3.260 2.266 ( 3.419 -0.000 -0.382) 3.440 2.515 ( -5.560 0.000 4.478) 7.139 2.605 ( -5.116 0.000 -0.372) 5.130 2.770 ( 8.725 -0.000 4.610) 9.868 2.771 ( 0.329 -0.000 3.546) 3.561 2.930 ( 6.360 -0.000 -3.245) 7.140 2.997 ( 4.354 -0.000 -0.079) 4.354 3.116 ( 4.004 -0.000 1.703) 4.351 3.140 ( 2.537 -0.000 -0.469) 2.580 3.173 ( -0.803 0.000 -1.013) 1.293 3.250 ( 2.551 -0.000 2.777) 3.771 3.325 ( 0.109 -0.000 -2.672) 2.674 3.377 ( -1.260 0.000 2.500) 2.799 3.468 ( -1.531 0.000 -4.643) 4.889 3.528 ( -1.043 0.000 -2.443) 2.657 3.862 ( -0.635 0.000 3.455) 3.513 3.903 ( -2.689 0.000 -0.120) 2.691 4.012 ( -3.238 0.000 -1.329) 3.500 4.051 ( -1.515 0.000 -1.178) 1.919 4.213 ( -2.401 0.000 2.102) 3.192 4.250 ( -3.765 0.000 1.075) 3.915 4.508 ( 1.810 -0.000 2.938) 3.451 4.546 ( 1.151 -0.000 0.485) 1.249 4.811 ( -3.455 0.000 -3.734) 5.087 4.829 ( 2.465 -0.000 1.162) 2.725 5.270 ( 5.826 -0.000 6.738) 8.907 5.339 ( -5.676 0.000 -6.215) 8.417 5.867 ( 2.816 -0.000 3.835) 4.758 5.924 ( -3.058 0.000 -3.737) 4.829 6.546 ( 0.326 -0.000 1.054) 1.103 6.562 ( -0.872 0.000 -0.641) 1.083 6.857 ( 2.835 -0.000 2.184) 3.579 6.872 ( -2.278 0.000 -3.050) 3.807 7.395 ( 0.681 -0.000 1.694) 1.826 7.435 ( -1.935 0.000 -1.247) 2.302 7.644 ( 0.966 -0.000 0.868) 1.298 7.654 ( -0.782 0.000 -0.950) 1.230 7.912 ( 0.148 -0.000 0.112) 0.185 7.915 ( 0.018 -0.000 -0.123) 0.124 16.340 ( -0.675 0.000 1.475) 1.622 16.458 ( -1.333 0.000 -2.740) 3.047 17.133 ( 0.876 -0.000 1.706) 1.918 17.190 ( 0.155 -0.000 -1.347) 1.356 17.892 ( -0.687 0.000 -0.244) 0.729 17.932 ( 0.297 -0.000 -0.595) 0.665 19.018 ( 2.853 -0.000 2.283) 3.654 19.035 ( -0.811 0.000 -1.285) 1.520 19.215 ( -0.493 0.000 -1.609) 1.683 19.232 ( 3.880 -0.000 1.549) 4.178 19.885 ( 1.473 -0.000 7.773) 7.911 20.085 ( -6.267 0.000 -6.783) 9.235 ======================= Grid point 79 (31/93) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 6.452 -2.399 11.043) 13.013 0.682 ( 6.096 -3.469 4.179) 8.164 0.877 ( 1.729 -1.424 -7.820) 8.134 0.937 ( 2.097 -2.338 -5.551) 6.378 1.262 ( -7.100 1.565 -2.419) 7.662 1.327 ( 0.678 -0.078 -0.920) 1.145 1.415 ( 6.351 -0.142 8.541) 10.644 1.511 ( -2.097 4.603 -3.091) 5.928 1.652 ( -1.680 -0.635 0.624) 1.901 1.783 ( -0.217 3.109 -2.383) 3.923 1.895 ( -4.512 0.191 -5.564) 7.166 2.013 ( -14.057 2.356 -13.085) 19.349 2.133 ( -3.269 -5.190 -0.969) 6.210 2.191 ( 6.093 1.363 7.080) 9.440 2.316 ( 5.832 -1.217 2.134) 6.329 2.323 ( 3.426 -3.433 3.668) 6.081 2.552 ( -0.242 -1.593 4.807) 5.070 2.570 ( -0.887 0.532 1.606) 1.911 2.774 ( 1.832 4.302 3.894) 6.085 2.848 ( 5.914 0.507 4.249) 7.299 2.923 ( 8.421 2.125 0.234) 8.688 3.028 ( 2.957 0.030 -3.214) 4.368 3.101 ( -1.781 2.522 -0.873) 3.208 3.148 ( -0.466 1.002 -3.077) 3.269 3.226 ( 2.519 -2.102 -3.694) 4.940 3.281 ( 4.849 -1.969 1.522) 5.451 3.324 ( 0.295 -0.278 -0.193) 0.449 3.436 ( 1.130 -2.879 2.676) 4.090 3.458 ( 1.039 -3.220 0.864) 3.492 3.538 ( -1.957 -3.447 -1.785) 4.347 3.839 ( -2.804 1.632 0.993) 3.393 3.866 ( -4.781 0.498 -1.833) 5.144 3.989 ( -1.574 0.295 2.469) 2.942 4.037 ( -2.715 -0.274 -2.860) 3.953 4.167 ( -3.468 2.577 1.773) 4.671 4.230 ( -2.462 -0.153 0.864) 2.613 4.534 ( 1.955 0.038 2.799) 3.415 4.559 ( 1.079 0.050 -0.294) 1.119 4.767 ( -4.275 -0.747 -4.446) 6.213 4.852 ( 1.858 -0.261 1.106) 2.179 5.260 ( -5.776 -0.061 -6.554) 8.736 5.346 ( 5.053 -0.008 5.808) 7.699 5.881 ( -2.647 0.307 -3.289) 4.233 5.910 ( 3.168 0.105 4.143) 5.216 6.553 ( -0.706 -0.125 -0.512) 0.881 6.556 ( 0.371 -0.153 1.117) 1.187 6.836 ( -2.531 0.054 -3.419) 4.254 6.886 ( 2.458 0.267 2.140) 3.270 7.406 ( 0.442 0.314 1.322) 1.429 7.408 ( -1.360 0.565 -0.920) 1.736 7.641 ( -0.808 0.254 -0.910) 1.243 7.655 ( 0.865 0.169 0.790) 1.184 7.913 ( 0.161 0.140 0.101) 0.236 7.914 ( 0.048 0.124 -0.108) 0.171 16.343 ( -0.971 -0.441 0.873) 1.379 16.427 ( -1.009 0.783 -1.870) 2.264 17.128 ( 0.696 2.126 1.492) 2.689 17.173 ( 0.553 1.472 -1.183) 1.968 17.886 ( -0.895 -0.310 0.085) 0.951 17.938 ( 0.229 -0.645 -0.737) 1.006 19.022 ( 0.073 0.488 -0.854) 0.987 19.054 ( 3.212 0.189 2.291) 3.950 19.208 ( -0.030 -0.253 -2.033) 2.048 19.275 ( 4.061 -0.172 1.917) 4.494 19.931 ( 0.236 0.021 6.294) 6.298 19.993 ( -6.527 0.228 -6.003) 8.871 ======================= Grid point 80 (32/93) ======================= q-point: ( 0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 1.211 -2.531 2.568) 3.803 0.777 ( 1.496 -3.446 -2.535) 4.532 0.913 ( 2.926 -3.026 -3.471) 5.456 0.994 ( 4.454 -3.854 -4.190) 7.228 1.154 ( -6.938 2.695 -1.191) 7.538 1.300 ( -1.852 1.105 -1.940) 2.901 1.430 ( -2.024 -0.946 -0.412) 2.272 1.472 ( 3.940 3.413 2.708) 5.874 1.639 ( -2.009 2.529 1.713) 3.656 1.728 ( 2.771 2.578 1.699) 4.149 1.777 ( -13.526 0.203 -10.803) 17.311 1.907 ( -1.789 -2.833 -5.749) 6.654 2.116 ( -3.100 2.480 1.697) 4.317 2.277 ( 2.716 -2.819 0.629) 3.965 2.409 ( 1.347 -4.557 4.334) 6.432 2.464 ( 7.237 -3.395 3.201) 8.611 2.493 ( -1.237 3.465 0.206) 3.685 2.645 ( 7.624 1.777 5.986) 9.855 2.720 ( 2.811 4.637 3.715) 6.573 2.899 ( 3.916 2.128 4.274) 6.175 2.924 ( 2.413 3.889 -0.135) 4.579 3.037 ( -0.802 1.011 -5.352) 5.505 3.051 ( -2.358 -1.152 1.850) 3.211 3.106 ( 2.032 -1.607 0.353) 2.615 3.268 ( 4.756 -2.345 -3.901) 6.583 3.311 ( 1.188 1.003 -0.012) 1.554 3.401 ( 3.078 -3.693 0.674) 4.855 3.451 ( -0.367 -0.290 -1.861) 1.919 3.572 ( -1.275 -4.519 1.302) 4.873 3.612 ( 1.341 -5.076 2.404) 5.774 3.792 ( -3.566 2.351 0.474) 4.298 3.796 ( -4.102 0.201 -2.306) 4.710 3.967 ( -3.292 3.720 -3.050) 5.829 3.989 ( -1.445 0.192 3.848) 4.115 4.120 ( -1.831 0.183 -0.299) 1.864 4.225 ( -1.529 -0.653 0.485) 1.732 4.541 ( 0.094 1.212 -0.960) 1.549 4.574 ( 2.212 0.003 2.559) 3.383 4.723 ( -4.598 -0.996 -5.328) 7.108 4.886 ( 1.673 -1.190 1.634) 2.624 5.193 ( -4.566 -0.453 -5.417) 7.099 5.404 ( 3.657 0.181 4.219) 5.586 5.839 ( -2.092 0.540 -2.606) 3.385 5.952 ( 2.949 0.073 3.678) 4.715 6.550 ( -0.466 -0.226 -0.388) 0.647 6.568 ( 0.497 -0.165 1.104) 1.222 6.799 ( -2.466 0.014 -3.274) 4.099 6.908 ( 1.868 0.251 1.758) 2.577 7.383 ( -0.987 0.590 -0.857) 1.434 7.410 ( 0.486 0.367 0.993) 1.165 7.625 ( -0.748 0.336 -0.818) 1.158 7.661 ( 0.696 0.250 0.689) 1.010 7.910 ( 0.058 0.188 -0.055) 0.204 7.911 ( 0.125 0.207 0.052) 0.247 16.349 ( -0.824 -0.804 0.186) 1.166 16.403 ( -0.446 0.442 -1.143) 1.304 17.090 ( 0.219 2.982 0.898) 3.122 17.141 ( 0.880 2.267 -0.612) 2.508 17.891 ( -0.713 -0.795 0.313) 1.113 17.948 ( 0.172 -0.749 -0.768) 1.087 19.011 ( 0.498 0.596 -0.414) 0.880 19.082 ( 3.124 0.799 2.284) 3.952 19.198 ( -0.591 -0.024 -2.524) 2.592 19.317 ( 3.240 0.074 2.135) 3.880 19.881 ( -6.268 0.697 -4.620) 7.818 19.992 ( 0.622 -1.023 4.272) 4.436 ======================= Grid point 81 (33/93) ======================= q-point: ( 0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( -4.277 0.407 -4.526) 6.240 0.807 ( -2.272 -2.272 -4.952) 5.903 0.990 ( 1.923 -4.319 0.803) 4.795 1.013 ( -4.208 4.308 -2.563) 6.545 1.121 ( 3.831 -4.705 -0.995) 6.148 1.281 ( -0.318 0.276 2.089) 2.131 1.424 ( -1.445 0.152 0.819) 1.668 1.474 ( 2.237 0.070 -0.294) 2.257 1.578 ( -1.777 1.617 -2.684) 3.602 1.648 ( -4.068 0.843 -2.529) 4.864 1.730 ( -1.077 1.355 4.038) 4.393 1.939 ( -0.186 -2.362 -2.605) 3.522 2.062 ( -2.932 -0.796 -0.332) 3.056 2.287 ( 2.186 3.867 -2.722) 5.209 2.428 ( 2.733 1.303 -0.011) 3.028 2.519 ( -0.058 -3.760 1.296) 3.977 2.581 ( -1.418 -2.096 -2.383) 3.476 2.634 ( 7.148 5.841 3.640) 9.922 2.717 ( 4.515 0.860 3.803) 5.965 2.854 ( 0.186 2.005 -1.054) 2.272 2.894 ( 0.777 4.193 5.703) 7.121 2.988 ( 0.598 1.669 0.624) 1.880 3.121 ( 1.165 -3.201 6.492) 7.331 3.185 ( 0.107 -4.892 -2.891) 5.683 3.319 ( 0.680 -1.525 -1.290) 2.111 3.334 ( 5.265 -1.369 0.772) 5.494 3.433 ( -1.280 0.252 -1.870) 2.280 3.462 ( 0.757 -1.566 -0.849) 1.936 3.583 ( -5.670 -0.701 0.088) 5.714 3.697 ( -2.213 0.644 -1.069) 2.541 3.720 ( 0.352 0.127 1.554) 1.598 3.785 ( -0.603 -0.873 -0.693) 1.268 3.848 ( -1.701 5.157 -2.628) 6.033 4.007 ( 0.149 -1.350 3.685) 3.928 4.131 ( 0.553 -2.182 -1.332) 2.615 4.227 ( -1.630 -0.822 0.121) 1.829 4.505 ( -0.328 1.868 -1.060) 2.173 4.601 ( 1.679 0.065 2.273) 2.827 4.680 ( -3.682 -0.725 -4.869) 6.147 4.930 ( 1.095 -1.363 1.431) 2.259 5.152 ( -2.654 -0.455 -3.351) 4.299 5.441 ( 2.155 0.116 2.510) 3.310 5.805 ( -1.319 0.556 -1.658) 2.191 5.988 ( 2.073 -0.060 2.474) 3.228 6.549 ( -0.215 -0.146 -0.206) 0.332 6.579 ( 0.516 -0.105 0.841) 0.992 6.767 ( -1.924 -0.035 -2.406) 3.081 6.923 ( 1.100 0.162 1.107) 1.569 7.364 ( -0.552 0.400 -0.570) 0.889 7.411 ( 0.335 0.280 0.552) 0.703 7.611 ( -0.488 0.223 -0.565) 0.779 7.664 ( 0.429 0.172 0.458) 0.651 7.908 ( 0.037 0.162 -0.011) 0.166 7.909 ( 0.065 0.160 0.009) 0.172 16.358 ( -0.462 -0.770 -0.109) 0.905 16.390 ( -0.166 0.392 -0.629) 0.760 17.045 ( -0.160 2.319 0.566) 2.393 17.108 ( 0.729 1.697 -0.317) 1.873 17.903 ( -0.402 -0.798 0.452) 1.001 17.957 ( 0.094 -0.395 -0.723) 0.829 19.006 ( 0.408 0.360 0.144) 0.563 19.098 ( 2.721 1.242 2.134) 3.675 19.174 ( -1.451 0.237 -2.924) 3.273 19.340 ( 1.421 0.611 1.692) 2.292 19.814 ( -3.985 -0.083 -3.031) 5.008 20.039 ( 1.143 -1.516 2.603) 3.222 ======================= Grid point 82 (34/93) ======================= q-point: (-0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -6.097 2.977 -2.292) 7.161 0.783 ( -3.276 0.500 -2.106) 3.927 0.876 ( -1.954 6.553 -0.863) 6.892 1.082 ( 0.380 -4.122 0.761) 4.209 1.231 ( 2.343 -2.472 -0.037) 3.406 1.287 ( 2.648 0.545 0.698) 2.792 1.406 ( 0.378 1.674 0.271) 1.738 1.495 ( -1.453 -3.383 0.008) 3.682 1.569 ( 1.007 -1.673 -1.774) 2.638 1.609 ( -0.931 1.012 -0.661) 1.526 1.729 ( -0.848 -0.286 4.794) 4.876 1.925 ( -1.281 0.966 0.724) 1.760 2.139 ( 1.263 -7.272 -2.067) 7.664 2.198 ( 1.711 5.155 -3.267) 6.339 2.452 ( 0.765 -0.408 -0.900) 1.250 2.474 ( 1.982 3.798 -4.109) 5.936 2.557 ( -1.149 2.518 3.457) 4.429 2.652 ( 1.312 -0.868 -2.725) 3.146 2.757 ( 1.112 1.377 2.247) 2.861 2.816 ( -0.087 2.389 1.448) 2.795 2.888 ( 0.280 -2.059 4.019) 4.524 2.979 ( 0.100 0.980 0.661) 1.187 3.206 ( -4.704 -1.148 -1.113) 4.968 3.216 ( 2.417 -3.077 0.476) 3.942 3.323 ( -0.220 1.436 -1.452) 2.054 3.397 ( 1.038 0.427 0.218) 1.144 3.436 ( 1.103 -1.947 0.126) 2.241 3.474 ( 0.596 -1.468 0.324) 1.617 3.549 ( -3.702 0.666 3.318) 5.016 3.621 ( -1.753 3.048 -1.993) 4.041 3.709 ( -0.642 2.938 0.425) 3.038 3.777 ( 0.901 0.462 -0.104) 1.018 3.805 ( 0.669 -1.236 -0.357) 1.450 4.070 ( 2.611 -2.265 2.273) 4.137 4.169 ( -0.194 -2.314 -2.627) 3.507 4.232 ( -0.551 -0.907 0.087) 1.065 4.468 ( -0.273 1.602 -0.210) 1.638 4.624 ( 1.805 0.012 2.018) 2.708 4.643 ( -2.405 -0.142 -3.057) 3.892 4.958 ( 0.257 -0.520 0.519) 0.779 5.131 ( -0.710 0.132 -1.127) 1.338 5.460 ( 0.667 -0.167 0.714) 0.991 5.785 ( -0.374 0.296 -0.480) 0.677 6.009 ( 0.637 -0.172 0.710) 0.969 6.548 ( -0.037 0.083 -0.028) 0.095 6.587 ( 0.262 -0.063 0.315) 0.415 6.748 ( -0.752 0.049 -0.832) 1.123 6.931 ( 0.287 0.029 0.310) 0.424 7.355 ( -0.161 0.150 -0.150) 0.266 7.411 ( 0.091 0.107 0.233) 0.272 7.605 ( -0.110 -0.015 -0.184) 0.215 7.666 ( 0.111 -0.004 0.128) 0.170 7.905 ( -0.005 0.093 0.019) 0.095 7.908 ( 0.016 -0.008 -0.020) 0.026 16.364 ( -0.130 -0.208 -0.016) 0.245 16.378 ( -0.052 0.654 -0.177) 0.679 17.019 ( -0.402 0.617 0.571) 0.931 17.096 ( 0.370 -0.100 -0.408) 0.560 17.913 ( -0.191 -0.250 0.557) 0.639 17.956 ( 0.102 0.161 -0.657) 0.684 19.001 ( -0.241 0.527 0.249) 0.631 19.110 ( 2.697 0.707 2.028) 3.448 19.142 ( -2.048 0.198 -2.830) 3.499 19.334 ( -0.629 0.960 0.944) 1.486 19.789 ( -0.894 -0.071 -0.520) 1.037 20.089 ( 1.131 -2.391 0.378) 2.672 ======================= Grid point 83 (35/93) ======================= q-point: (-0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 0.037 5.250 6.531) 8.379 0.666 ( -2.881 9.328 1.990) 9.963 0.813 ( 2.468 0.693 -0.144) 2.567 1.104 ( -0.333 6.883 -0.251) 6.896 1.166 ( -0.993 2.597 2.977) 4.074 1.362 ( 4.528 -1.962 -0.941) 5.023 1.400 ( -1.966 -1.558 -1.612) 2.981 1.557 ( 1.076 -3.445 0.644) 3.667 1.574 ( -0.890 -1.712 -4.721) 5.101 1.657 ( 2.272 -4.445 3.075) 5.863 1.770 ( 0.091 -1.905 3.997) 4.429 1.930 ( -0.248 -2.334 -0.597) 2.422 2.111 ( 0.464 3.260 -2.043) 3.875 2.262 ( 1.719 -4.079 -1.300) 4.614 2.416 ( 1.533 -0.289 -1.460) 2.137 2.476 ( -1.822 4.302 1.088) 4.797 2.513 ( 4.954 0.118 1.519) 5.183 2.632 ( -3.818 1.051 -1.101) 4.111 2.711 ( -4.832 0.811 -0.992) 4.999 2.829 ( 4.520 -0.498 1.551) 4.805 2.926 ( -6.379 -0.600 -2.841) 7.009 2.966 ( -0.610 -1.209 -0.637) 1.496 3.144 ( -4.354 -0.488 -5.469) 7.008 3.256 ( 0.076 4.900 -0.313) 4.910 3.287 ( 2.259 -0.310 2.475) 3.365 3.376 ( -0.808 -0.376 -3.020) 3.149 3.424 ( -1.675 0.938 -2.442) 3.106 3.478 ( -0.647 4.850 -2.708) 5.592 3.560 ( -0.331 -1.395 3.900) 4.156 3.573 ( 0.797 2.003 3.652) 4.241 3.689 ( 1.741 -0.076 3.560) 3.964 3.805 ( 0.448 -2.347 1.733) 2.951 3.852 ( 1.897 -2.746 1.375) 3.610 4.133 ( 2.812 -1.271 0.714) 3.167 4.180 ( -2.154 -1.472 -1.655) 3.090 4.246 ( 0.765 -0.792 -2.433) 2.671 4.446 ( 0.069 1.045 1.163) 1.565 4.608 ( -0.736 1.291 -0.725) 1.653 4.664 ( 2.281 -1.316 1.972) 3.290 4.954 ( -0.633 0.713 -0.849) 1.277 5.126 ( 1.302 0.642 1.262) 1.923 5.463 ( -0.908 -0.361 -1.165) 1.520 5.784 ( 0.510 -0.028 0.725) 0.887 6.010 ( -0.948 -0.259 -1.195) 1.547 6.545 ( 0.087 0.307 0.184) 0.369 6.588 ( -0.254 -0.018 -0.269) 0.370 6.747 ( 0.948 0.165 1.065) 1.435 6.930 ( -0.487 -0.101 -0.577) 0.762 7.355 ( 0.200 -0.096 0.386) 0.445 7.412 ( -0.099 -0.171 0.190) 0.274 7.608 ( 0.254 -0.225 0.235) 0.413 7.667 ( -0.199 -0.177 -0.242) 0.360 7.905 ( -0.017 -0.036 0.031) 0.051 7.909 ( -0.014 -0.145 -0.034) 0.149 16.361 ( -0.028 0.801 0.496) 0.943 16.369 ( 0.596 0.342 0.528) 0.867 17.024 ( -0.454 -1.182 0.758) 1.476 17.114 ( 0.079 -1.891 -0.720) 2.025 17.911 ( -0.257 0.622 0.616) 0.912 17.949 ( 0.428 0.434 -0.488) 0.781 18.986 ( -0.455 0.802 0.217) 0.947 19.110 ( -2.116 0.142 -2.144) 3.016 19.139 ( 2.827 -0.403 1.398) 3.180 19.309 ( -2.164 0.843 0.267) 2.338 19.790 ( 1.192 0.627 2.069) 2.468 20.141 ( 0.209 -3.019 -1.935) 3.592 ======================= Grid point 84 (36/93) ======================= q-point: (-0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( 1.889 8.938 6.980) 11.496 0.519 ( 7.863 8.284 9.310) 14.735 0.833 ( 5.086 3.054 4.411) 7.392 0.939 ( 0.919 8.081 5.067) 9.582 1.131 ( 0.102 3.784 -0.431) 3.810 1.360 ( -2.337 -0.170 -2.634) 3.525 1.432 ( -1.396 -3.135 -1.510) 3.749 1.595 ( -1.023 -3.816 -4.877) 6.276 1.655 ( 2.654 -4.487 2.233) 5.671 1.759 ( 0.775 -3.116 -1.388) 3.498 1.815 ( 2.517 -1.002 5.057) 5.737 2.007 ( 3.930 -5.019 -0.934) 6.442 2.073 ( -2.447 -0.063 -0.729) 2.554 2.276 ( 0.193 2.422 -1.234) 2.725 2.351 ( -0.894 6.517 2.688) 7.106 2.495 ( 1.605 -3.736 -2.084) 4.569 2.537 ( -0.346 0.996 -0.372) 1.118 2.625 ( 1.304 -1.987 0.573) 2.444 2.655 ( -6.204 -2.457 -0.624) 6.702 2.819 ( -10.822 0.272 -5.964) 12.359 2.878 ( 2.226 3.687 0.351) 4.321 2.953 ( -0.608 -3.627 -1.883) 4.131 3.114 ( 0.942 3.612 -4.126) 5.564 3.197 ( 1.747 1.005 1.132) 2.312 3.262 ( -0.234 3.205 -1.203) 3.431 3.361 ( -1.989 2.851 -5.566) 6.563 3.368 ( -1.786 2.962 -2.968) 4.557 3.401 ( 1.529 -1.015 1.084) 2.131 3.501 ( -2.301 3.242 0.361) 3.992 3.610 ( 1.197 0.698 2.303) 2.687 3.751 ( 2.391 -1.834 5.322) 6.116 3.867 ( -0.262 -2.747 2.946) 4.037 3.943 ( 2.296 -4.052 2.605) 5.336 4.161 ( 0.313 -0.039 0.972) 1.022 4.178 ( -1.806 -0.838 -1.681) 2.606 4.240 ( -0.451 -0.473 -3.384) 3.446 4.445 ( 0.737 0.425 2.895) 3.018 4.578 ( -0.481 1.162 -0.680) 1.430 4.726 ( 3.697 -1.448 2.939) 4.940 4.917 ( -1.516 1.488 -2.233) 3.082 5.146 ( 3.595 0.573 3.801) 5.263 5.445 ( -2.588 -0.323 -3.050) 4.013 5.800 ( 1.282 -0.172 1.879) 2.281 5.993 ( -2.214 -0.393 -2.674) 3.494 6.542 ( 0.193 0.367 0.460) 0.619 6.581 ( -0.629 0.054 -0.522) 0.819 6.770 ( 2.670 -0.150 2.572) 3.711 6.921 ( -1.194 -0.152 -1.504) 1.926 7.364 ( 0.508 -0.254 0.984) 1.137 7.421 ( -0.164 -0.910 0.415) 1.014 7.618 ( 0.529 -0.285 0.589) 0.842 7.667 ( -0.456 -0.252 -0.576) 0.777 7.907 ( 0.021 -0.126 0.059) 0.140 7.912 ( -0.021 -0.194 -0.066) 0.207 16.348 ( -0.083 0.873 1.013) 1.340 16.389 ( 2.100 -1.026 1.806) 2.954 17.056 ( -0.152 -2.101 1.114) 2.383 17.150 ( -0.049 -2.481 -1.061) 2.699 17.898 ( -0.102 0.823 0.777) 1.136 17.944 ( 0.747 0.518 -0.379) 0.985 18.976 ( 0.392 0.446 0.776) 0.977 19.081 ( -2.104 0.040 -1.983) 2.891 19.175 ( 2.909 -0.263 0.625) 2.987 19.275 ( -3.114 0.535 -0.527) 3.203 19.806 ( 2.009 0.816 4.769) 5.239 20.170 ( -1.829 -2.473 -4.328) 5.310 ======================= Grid point 87 (37/93) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 4.149 -0.000 9.109) 10.009 0.720 ( 5.472 -0.000 0.441) 5.490 0.852 ( 5.654 -0.000 -6.567) 8.665 0.901 ( 1.258 -0.000 -3.631) 3.843 1.216 ( -6.167 0.000 0.328) 6.176 1.305 ( -0.211 0.000 -6.090) 6.093 1.441 ( -3.418 0.000 -1.794) 3.860 1.536 ( -2.482 0.000 -1.213) 2.763 1.659 ( 3.366 -0.000 6.288) 7.132 1.750 ( -10.318 0.000 -8.680) 13.483 1.888 ( -5.288 0.000 -6.579) 8.441 1.906 ( 2.350 -0.000 -2.078) 3.137 2.055 ( 1.515 -0.000 -0.060) 1.516 2.251 ( -5.816 0.000 4.581) 7.403 2.293 ( 4.579 -0.000 2.166) 5.065 2.369 ( 5.550 -0.000 0.016) 5.550 2.552 ( -2.763 0.000 0.842) 2.889 2.640 ( 8.847 -0.000 12.754) 15.522 2.847 ( 2.448 -0.000 6.937) 7.356 2.914 ( 5.290 -0.000 3.485) 6.335 2.998 ( 5.878 -0.000 -4.259) 7.259 3.057 ( -4.187 0.000 -5.840) 7.186 3.121 ( 1.470 -0.000 0.516) 1.558 3.142 ( 9.226 -0.000 -3.875) 10.007 3.234 ( 2.848 -0.000 1.870) 3.407 3.295 ( 0.504 -0.000 -4.077) 4.108 3.351 ( 2.476 -0.000 5.386) 5.928 3.388 ( 1.852 -0.000 0.365) 1.888 3.451 ( -0.069 0.000 3.086) 3.086 3.481 ( -1.803 0.000 -2.056) 2.734 3.797 ( -6.123 0.000 -3.577) 7.091 3.842 ( -3.943 0.000 0.799) 4.023 3.986 ( -2.318 0.000 2.254) 3.234 4.007 ( -1.434 0.000 -2.575) 2.948 4.179 ( -3.763 0.000 1.724) 4.139 4.194 ( -3.634 0.000 0.079) 3.635 4.558 ( 1.620 -0.000 1.549) 2.241 4.575 ( 2.004 -0.000 -0.003) 2.004 4.704 ( -4.500 0.000 -3.992) 6.016 4.864 ( 0.928 -0.000 0.591) 1.101 5.184 ( -5.149 0.000 -5.898) 7.829 5.408 ( 3.887 -0.000 4.487) 5.936 5.850 ( -2.045 0.000 -2.573) 3.286 5.954 ( 2.742 -0.000 3.752) 4.648 6.544 ( -0.599 0.000 -0.505) 0.783 6.564 ( 0.510 -0.000 1.317) 1.413 6.800 ( -2.458 0.000 -3.408) 4.202 6.914 ( 1.855 -0.000 1.610) 2.456 7.396 ( -1.346 0.000 -1.071) 1.720 7.418 ( 0.329 -0.000 1.155) 1.201 7.632 ( -0.779 0.000 -0.821) 1.131 7.666 ( 0.732 -0.000 0.651) 0.979 7.915 ( 0.065 -0.000 -0.108) 0.126 7.916 ( 0.185 -0.000 0.105) 0.213 16.332 ( -1.286 0.000 0.427) 1.355 16.413 ( -1.108 0.000 -2.090) 2.365 17.162 ( 0.676 -0.000 1.393) 1.549 17.185 ( 0.745 -0.000 -1.174) 1.391 17.875 ( -1.061 0.000 0.086) 1.064 17.930 ( 0.285 -0.000 -0.734) 0.788 19.027 ( 0.965 -0.000 -0.558) 1.115 19.096 ( 3.502 -0.000 2.666) 4.402 19.199 ( 0.448 -0.000 -2.114) 2.161 19.318 ( 4.211 -0.000 2.203) 4.753 19.901 ( -7.701 0.000 -6.530) 10.097 19.966 ( -0.291 0.000 6.316) 6.322 ======================= Grid point 88 (38/93) ======================= q-point: ( 0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 1.782 0.529 2.222) 2.897 0.748 ( 2.079 -0.565 -3.792) 4.361 0.898 ( 4.390 -0.906 -1.217) 4.645 0.940 ( 4.414 -3.571 -1.656) 5.914 1.159 ( -3.977 2.412 0.489) 4.677 1.281 ( -0.129 -0.776 -4.821) 4.885 1.380 ( -4.783 0.606 -1.729) 5.121 1.526 ( -0.562 -0.696 0.011) 0.895 1.614 ( -10.931 -0.623 -7.536) 13.292 1.691 ( -0.408 1.605 4.527) 4.820 1.812 ( 1.756 3.608 -0.215) 4.019 1.888 ( 3.301 2.864 -2.498) 5.034 2.121 ( 1.161 -1.640 0.033) 2.010 2.252 ( -2.880 -2.285 5.470) 6.590 2.335 ( 1.884 -2.658 -0.135) 3.261 2.446 ( 2.614 -3.841 -0.874) 4.728 2.527 ( -1.693 1.220 0.893) 2.270 2.776 ( 8.150 -0.639 9.005) 12.162 2.860 ( 2.452 4.754 6.129) 8.135 2.933 ( -6.078 2.466 -9.059) 11.184 2.986 ( 6.578 -0.301 6.100) 8.976 3.028 ( 4.966 0.521 -3.326) 5.999 3.085 ( 1.695 4.892 -0.195) 5.181 3.168 ( 2.294 1.168 0.636) 2.651 3.250 ( 2.899 0.898 -1.491) 3.381 3.320 ( 0.908 -2.219 -0.888) 2.557 3.382 ( 4.130 -0.809 1.094) 4.349 3.441 ( -0.960 -0.411 -0.463) 1.142 3.474 ( -1.181 -4.387 -0.322) 4.555 3.547 ( 1.943 -5.829 4.420) 7.569 3.742 ( -3.832 -0.468 -2.973) 4.872 3.796 ( -4.112 1.294 0.229) 4.317 3.975 ( -4.052 -0.289 0.924) 4.166 3.975 ( -1.347 0.924 -2.270) 2.796 4.121 ( -2.749 1.997 0.051) 3.398 4.192 ( -2.759 -1.349 0.413) 3.098 4.562 ( 0.963 1.179 -0.559) 1.621 4.598 ( 2.141 -0.502 1.308) 2.559 4.657 ( -3.564 -0.240 -3.181) 4.783 4.880 ( 0.529 -0.969 0.733) 1.325 5.129 ( -3.239 -0.509 -3.803) 5.021 5.449 ( 2.315 0.217 2.700) 3.563 5.823 ( -1.305 0.335 -1.748) 2.207 5.988 ( 1.783 0.020 2.534) 3.098 6.540 ( -0.360 -0.231 -0.371) 0.566 6.575 ( 0.454 -0.080 1.019) 1.119 6.767 ( -1.794 0.018 -2.536) 3.106 6.931 ( 1.188 0.191 1.056) 1.601 7.380 ( -0.815 0.328 -0.774) 1.171 7.422 ( 0.148 0.235 0.610) 0.670 7.621 ( -0.572 0.228 -0.576) 0.843 7.672 ( 0.470 0.186 0.422) 0.659 7.913 ( 0.077 0.128 -0.075) 0.167 7.916 ( 0.147 0.166 0.075) 0.234 16.329 ( -0.967 -0.600 0.021) 1.138 16.396 ( -0.488 0.065 -1.503) 1.581 17.147 ( 0.340 2.476 0.709) 2.598 17.178 ( 0.887 1.233 -0.542) 1.613 17.873 ( -0.817 -0.581 0.352) 1.062 17.934 ( 0.313 -0.565 -0.737) 0.980 19.029 ( 1.332 0.678 -0.201) 1.508 19.131 ( 2.980 0.433 2.315) 3.798 19.189 ( 0.226 0.425 -2.066) 2.122 19.357 ( 3.226 0.324 2.086) 3.855 19.812 ( -6.272 0.097 -4.901) 7.960 19.994 ( -1.068 -0.894 4.206) 4.431 ======================= Grid point 89 (39/93) ======================= q-point: ( 0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 0.508 2.413 -0.439) 2.505 0.756 ( 0.551 -0.938 -1.553) 1.897 0.945 ( 0.526 -1.851 0.777) 2.075 1.038 ( 5.028 -3.869 -2.683) 6.888 1.090 ( -0.979 2.322 0.613) 2.593 1.289 ( 0.585 -0.776 0.863) 1.299 1.342 ( -4.580 -1.622 -1.026) 4.966 1.532 ( 1.290 0.709 -2.058) 2.531 1.545 ( -3.587 -0.493 -0.196) 3.626 1.661 ( -0.891 2.794 3.930) 4.904 1.787 ( 1.049 2.189 1.788) 3.015 1.882 ( 3.478 -1.880 -2.524) 4.691 2.080 ( -2.697 4.005 1.295) 4.999 2.314 ( 1.162 -1.329 -0.168) 1.773 2.420 ( -1.201 -5.707 0.380) 5.845 2.486 ( 3.301 1.385 -3.246) 4.832 2.515 ( -1.890 -2.145 0.002) 2.859 2.755 ( -4.098 4.698 -5.187) 8.109 2.818 ( 5.568 3.866 0.103) 6.779 2.897 ( 2.218 1.012 4.310) 4.952 2.975 ( -0.165 2.935 0.357) 2.961 3.032 ( 0.016 2.069 1.003) 2.300 3.111 ( 2.743 -2.222 2.806) 4.510 3.157 ( 1.453 2.308 4.593) 5.341 3.260 ( 1.920 -3.405 -3.427) 5.199 3.378 ( 4.233 -0.557 1.218) 4.440 3.404 ( -1.538 -0.889 -1.372) 2.244 3.446 ( 0.754 -0.604 -0.947) 1.352 3.523 ( -3.083 -2.434 1.529) 4.215 3.667 ( -0.804 -2.649 0.655) 2.845 3.727 ( 2.132 -0.767 0.078) 2.267 3.761 ( -1.732 -0.459 0.213) 1.804 3.904 ( -1.479 3.660 -2.947) 4.926 3.965 ( -4.780 -2.013 0.999) 5.282 4.098 ( 0.432 -1.014 -1.322) 1.722 4.196 ( -2.169 -1.138 0.489) 2.498 4.536 ( 0.575 1.957 -0.840) 2.206 4.617 ( -1.023 0.372 0.570) 1.229 4.637 ( 0.855 -0.881 -0.837) 1.486 4.912 ( 0.156 -1.683 0.689) 1.826 5.114 ( -0.770 -0.870 -1.127) 1.619 5.464 ( 0.631 0.325 0.844) 1.103 5.802 ( -0.409 0.530 -0.772) 1.022 6.005 ( 0.476 -0.046 0.824) 0.953 6.542 ( -0.123 -0.344 -0.201) 0.417 6.582 ( -0.026 -0.152 0.136) 0.205 6.750 ( -0.403 0.042 -0.636) 0.754 6.937 ( 0.425 0.272 0.367) 0.624 7.366 ( -0.271 0.396 -0.363) 0.601 7.420 ( -0.016 0.295 0.113) 0.316 7.611 ( -0.193 0.294 -0.213) 0.411 7.672 ( 0.150 0.262 0.130) 0.329 7.911 ( 0.068 0.188 -0.033) 0.203 7.914 ( 0.072 0.263 0.035) 0.275 16.338 ( -0.392 -1.011 0.036) 1.085 16.389 ( 0.029 0.010 -0.859) 0.859 17.098 ( 0.023 3.245 0.530) 3.288 17.150 ( 0.651 2.284 -0.432) 2.414 17.885 ( -0.474 -1.015 0.568) 1.256 17.945 ( 0.297 -0.666 -0.660) 0.984 19.024 ( 0.932 0.919 0.126) 1.315 19.150 ( 1.404 0.526 0.728) 1.667 19.166 ( 0.452 1.475 -0.994) 1.835 19.372 ( 1.124 1.004 1.072) 1.849 19.763 ( -2.853 -0.850 -1.971) 3.570 20.021 ( -1.196 -1.621 1.601) 2.573 ======================= Grid point 91 (40/93) ======================= q-point: ( 0.62 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 2.445 3.411 4.147) 5.900 0.777 ( 2.194 -0.313 1.467) 2.658 0.976 ( -0.404 1.433 4.629) 4.863 1.020 ( -0.848 0.633 -1.650) 1.960 1.170 ( 3.780 -5.243 -2.182) 6.822 1.321 ( 2.767 -0.466 1.803) 3.335 1.361 ( -3.120 -3.094 2.126) 4.881 1.496 ( 0.757 1.424 -0.798) 1.800 1.550 ( -0.604 -0.223 -0.608) 0.885 1.633 ( 0.605 2.069 2.838) 3.564 1.754 ( -0.841 1.526 2.227) 2.828 1.960 ( 1.178 1.484 1.385) 2.347 2.021 ( -0.153 -4.325 -0.521) 4.359 2.281 ( 0.965 4.324 -4.488) 6.306 2.426 ( -2.896 0.208 -4.301) 5.189 2.523 ( 4.370 -0.255 1.370) 4.587 2.550 ( 0.107 -3.910 -1.646) 4.244 2.644 ( -2.468 2.118 -5.413) 6.316 2.803 ( 2.260 2.173 0.453) 3.168 2.871 ( -0.963 3.623 0.899) 3.855 2.906 ( -3.949 2.826 0.035) 4.856 2.988 ( -2.199 1.093 -1.225) 2.744 3.119 ( -2.895 -0.926 -2.131) 3.712 3.220 ( 2.511 -1.325 4.889) 5.653 3.340 ( 4.040 -1.873 0.610) 4.495 3.382 ( -1.843 -0.463 -2.843) 3.420 3.435 ( 1.857 -2.314 1.922) 3.535 3.448 ( -0.306 0.405 0.169) 0.535 3.543 ( -0.936 -0.724 4.974) 5.112 3.651 ( -0.465 1.526 -1.108) 1.942 3.753 ( -0.598 1.540 1.421) 2.179 3.775 ( 0.427 -1.410 -0.173) 1.483 3.826 ( 1.507 2.890 -1.572) 3.619 3.995 ( -3.175 -5.057 -1.616) 6.186 4.135 ( 2.204 -2.024 -1.244) 3.241 4.202 ( -1.957 -1.168 0.493) 2.331 4.500 ( 0.427 2.072 -0.329) 2.141 4.607 ( -0.986 -0.287 -0.937) 1.391 4.664 ( 2.526 0.006 2.732) 3.721 4.940 ( -0.495 -1.352 -0.040) 1.440 5.130 ( 1.385 -0.485 1.245) 1.924 5.458 ( -0.963 0.135 -1.006) 1.400 5.793 ( 0.584 0.467 0.383) 0.841 6.004 ( -1.054 -0.101 -1.101) 1.527 6.547 ( 0.042 -0.236 -0.021) 0.241 6.582 ( -0.531 -0.273 -0.624) 0.863 6.753 ( 1.155 0.162 1.357) 1.789 6.933 ( -0.371 0.243 -0.433) 0.620 7.359 ( 0.168 0.291 0.100) 0.351 7.414 ( -0.251 0.201 -0.237) 0.400 7.607 ( 0.232 0.180 0.220) 0.367 7.667 ( -0.188 0.190 -0.222) 0.347 7.908 ( 0.032 0.175 0.004) 0.178 7.910 ( 0.015 0.207 -0.002) 0.208 16.355 ( 0.013 -0.876 0.249) 0.911 16.385 ( 0.237 0.237 -0.321) 0.464 17.048 ( -0.220 2.507 0.610) 2.589 17.112 ( 0.290 1.821 -0.601) 1.939 17.903 ( -0.256 -0.926 0.659) 1.165 17.954 ( 0.336 -0.317 -0.530) 0.703 19.014 ( 0.111 0.831 0.214) 0.866 19.122 ( -1.556 0.944 -2.842) 3.375 19.164 ( 2.627 1.280 2.527) 3.863 19.353 ( -0.821 1.406 -0.140) 1.634 19.774 ( 0.620 -1.331 1.042) 1.801 20.046 ( -1.315 -2.255 -0.857) 2.747 ======================= Grid point 92 (41/93) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 6.556 3.782 8.986) 11.749 0.808 ( 4.327 3.078 4.527) 6.978 0.887 ( 2.486 5.586 1.522) 6.301 1.097 ( 1.029 -4.276 2.197) 4.917 1.205 ( -3.106 0.554 -2.550) 4.057 1.354 ( -2.728 0.001 -1.862) 3.302 1.367 ( 1.872 -0.684 0.897) 2.186 1.516 ( -3.598 -0.395 -3.430) 4.987 1.562 ( 6.223 -1.691 4.839) 8.062 1.628 ( 0.996 -0.809 2.486) 2.798 1.769 ( -0.170 -1.316 5.772) 5.923 1.911 ( -0.820 1.128 0.140) 1.401 2.152 ( 1.417 -2.536 -3.400) 4.472 2.183 ( 0.538 -0.183 -1.243) 1.367 2.399 ( 1.447 -0.326 -4.330) 4.577 2.536 ( -4.081 2.065 -3.366) 5.679 2.573 ( 6.226 0.043 1.261) 6.352 2.614 ( -1.914 0.255 0.452) 1.983 2.725 ( -1.778 2.997 -3.955) 5.272 2.791 ( -6.762 3.396 -3.499) 8.337 2.844 ( -4.783 -1.972 -1.745) 5.460 2.999 ( 4.022 -0.353 3.384) 5.268 3.067 ( -4.563 0.563 -4.979) 6.777 3.270 ( 0.371 -1.763 -0.660) 1.919 3.325 ( -1.553 2.327 -0.822) 2.916 3.377 ( 1.675 1.915 -1.331) 2.871 3.437 ( 0.498 0.836 1.223) 1.563 3.515 ( -0.263 -0.980 0.806) 1.297 3.563 ( -1.013 0.435 4.930) 5.051 3.624 ( 3.036 0.667 2.347) 3.895 3.725 ( 0.502 1.141 1.706) 2.113 3.805 ( 0.860 0.684 1.049) 1.519 3.819 ( 1.400 -2.653 1.199) 3.230 4.046 ( -3.654 -4.902 -3.925) 7.265 4.178 ( 3.075 -0.724 -0.337) 3.177 4.209 ( -2.054 -1.366 -1.021) 2.669 4.475 ( 0.834 1.380 1.062) 1.930 4.595 ( -1.560 -0.310 -2.049) 2.594 4.709 ( 4.369 0.292 5.140) 6.752 4.944 ( -1.465 -0.236 -1.522) 2.126 5.163 ( 3.201 0.163 3.373) 4.653 5.435 ( -2.468 -0.149 -2.806) 3.740 5.800 ( 1.501 0.234 1.614) 2.216 5.982 ( -2.364 -0.197 -2.764) 3.642 6.550 ( 0.146 0.004 0.196) 0.245 6.578 ( -0.674 -0.268 -0.750) 1.043 6.773 ( 2.268 0.226 2.542) 3.414 6.919 ( -1.121 0.124 -1.298) 1.720 7.360 ( 0.492 0.059 0.591) 0.771 7.407 ( -0.479 -0.050 -0.410) 0.632 7.611 ( 0.557 -0.028 0.606) 0.823 7.661 ( -0.477 0.005 -0.573) 0.745 7.906 ( -0.008 0.104 0.027) 0.108 7.908 ( 0.009 0.019 -0.027) 0.034 16.369 ( 0.247 -0.327 0.484) 0.634 16.381 ( 0.348 0.405 0.197) 0.569 17.020 ( -0.260 0.680 0.811) 1.090 17.093 ( 0.047 0.034 -0.863) 0.865 17.915 ( -0.324 -0.230 0.610) 0.728 17.957 ( 0.573 0.105 -0.349) 0.679 18.999 ( -0.154 0.791 0.247) 0.843 19.082 ( -1.828 0.463 -2.602) 3.213 19.181 ( 2.938 0.733 2.665) 4.034 19.314 ( -1.687 1.409 -0.936) 2.389 19.816 ( 2.301 -0.609 3.199) 3.988 20.069 ( -2.029 -2.798 -2.920) 4.525 ======================= Grid point 93 (42/93) ======================= q-point: (-0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 3.756 7.331 5.665) 9.997 0.765 ( 8.789 7.087 6.934) 13.250 0.908 ( 5.734 0.200 1.746) 5.998 1.052 ( -1.008 5.599 -6.585) 8.703 1.216 ( 1.910 -0.394 6.898) 7.168 1.324 ( -2.330 -0.341 -0.582) 2.425 1.376 ( -3.255 -0.015 -0.445) 3.285 1.472 ( -4.967 -2.645 -6.275) 8.428 1.629 ( 1.009 -1.351 3.495) 3.880 1.709 ( -0.056 -3.498 -0.473) 3.531 1.865 ( 7.396 -2.271 11.703) 14.029 1.950 ( 2.673 -4.175 1.837) 5.287 2.070 ( -1.488 2.867 -4.228) 5.321 2.285 ( 0.300 -2.701 -1.441) 3.076 2.381 ( -4.123 -0.427 -6.642) 7.829 2.462 ( -2.664 0.707 -0.536) 2.808 2.554 ( 1.535 1.834 -0.073) 2.393 2.619 ( -6.377 4.019 -2.636) 7.985 2.646 ( 6.014 0.516 2.815) 6.660 2.700 ( -3.878 -1.368 -6.119) 7.373 2.858 ( -3.076 -3.408 -1.675) 4.886 2.969 ( 0.088 3.514 3.516) 4.971 3.102 ( 3.520 -3.720 -2.633) 5.759 3.252 ( -1.206 2.819 -1.383) 3.364 3.279 ( -2.992 -0.787 -5.132) 5.993 3.332 ( 2.525 3.619 -2.303) 4.978 3.394 ( -1.302 3.880 -0.406) 4.112 3.477 ( 1.919 1.995 0.138) 2.771 3.573 ( -0.347 3.328 4.941) 5.968 3.653 ( 2.107 1.307 2.889) 3.807 3.749 ( 0.273 -1.849 3.251) 3.750 3.833 ( 0.081 -2.310 2.318) 3.274 3.898 ( 1.093 -3.752 2.232) 4.500 4.071 ( -5.105 -4.125 -3.392) 7.388 4.191 ( -1.122 0.437 -2.613) 2.877 4.210 ( 1.109 -0.515 -0.056) 1.224 4.477 ( 1.449 0.578 2.677) 3.098 4.576 ( -1.341 -0.061 -1.826) 2.267 4.768 ( 4.583 0.068 4.805) 6.640 4.910 ( -2.483 0.930 -3.184) 4.144 5.211 ( 4.758 0.323 5.178) 7.039 5.395 ( -3.941 -0.208 -4.521) 6.001 5.824 ( 2.294 -0.001 2.798) 3.618 5.949 ( -3.024 -0.364 -3.656) 4.759 6.551 ( 0.220 0.212 0.475) 0.565 6.573 ( -0.672 -0.091 -0.619) 0.918 6.805 ( 2.902 0.028 2.985) 4.163 6.898 ( -1.765 -0.010 -2.171) 2.798 7.370 ( 0.700 -0.212 1.065) 1.292 7.405 ( -0.667 -0.499 -0.444) 0.944 7.622 ( 0.733 -0.213 0.849) 1.141 7.655 ( -0.657 -0.185 -0.832) 1.076 7.905 ( 0.027 -0.060 0.054) 0.085 7.909 ( 0.005 -0.118 -0.057) 0.131 16.366 ( -0.075 0.745 0.613) 0.968 16.391 ( 0.822 -0.647 0.639) 1.226 17.029 ( -0.013 -1.308 1.145) 1.739 17.105 ( 0.056 -1.792 -1.115) 2.111 17.911 ( -0.455 0.527 0.549) 0.886 17.957 ( 0.737 0.371 -0.315) 0.884 18.992 ( 0.640 0.377 0.753) 1.057 19.053 ( -1.651 -0.037 -2.151) 2.712 19.209 ( 3.148 0.331 2.299) 3.912 19.270 ( -1.686 1.259 -1.526) 2.599 19.858 ( 2.497 0.274 5.008) 5.602 20.078 ( -3.522 -2.707 -4.719) 6.481 ======================= Grid point 97 (43/93) ======================= q-point: ( 0.38 0.38 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 2.403 -0.000 3.618) 4.344 0.736 ( 1.191 -0.000 -4.753) 4.900 0.896 ( 2.809 -0.000 -4.058) 4.935 0.969 ( 5.262 -0.000 2.118) 5.672 1.149 ( -4.462 0.000 -0.671) 4.512 1.239 ( 2.126 -0.000 -8.555) 8.815 1.386 ( -0.890 0.000 6.763) 6.821 1.470 ( -3.186 0.000 -2.305) 3.933 1.524 ( -5.725 0.000 0.058) 5.725 1.732 ( 0.330 -0.000 4.000) 4.014 1.865 ( 1.595 -0.000 0.457) 1.659 1.945 ( 2.150 -0.000 -2.936) 3.639 2.129 ( 6.804 -0.000 0.747) 6.845 2.209 ( -4.775 0.000 5.447) 7.243 2.354 ( 1.817 -0.000 0.925) 2.039 2.386 ( -3.311 0.000 -1.439) 3.610 2.532 ( 0.050 -0.000 0.240) 0.246 2.839 ( 3.829 -0.000 2.575) 4.614 2.863 ( -5.250 0.000 -7.255) 8.956 2.979 ( 2.810 -0.000 5.871) 6.509 2.986 ( -1.480 0.000 -5.824) 6.009 3.093 ( 6.592 -0.000 -1.880) 6.855 3.147 ( 6.192 -0.000 4.513) 7.662 3.235 ( 0.997 -0.000 -6.047) 6.129 3.252 ( -1.740 0.000 0.938) 1.977 3.299 ( 3.799 -0.000 3.062) 4.879 3.417 ( -0.887 0.000 3.714) 3.819 3.419 ( -0.077 0.000 -0.044) 0.089 3.440 ( -0.301 0.000 -1.337) 1.370 3.511 ( 2.220 -0.000 5.309) 5.754 3.711 ( 0.963 -0.000 -1.756) 2.003 3.774 ( -3.899 0.000 -0.005) 3.899 3.928 ( -6.659 0.000 0.177) 6.661 3.965 ( 0.468 -0.000 -3.942) 3.970 4.131 ( -3.457 0.000 0.784) 3.545 4.145 ( -1.703 0.000 -0.926) 1.938 4.585 ( 0.725 -0.000 0.002) 0.725 4.603 ( 1.729 -0.000 -1.029) 2.013 4.631 ( -1.311 0.000 0.583) 1.435 4.875 ( -0.068 0.000 0.428) 0.434 5.094 ( -1.030 0.000 -1.175) 1.562 5.472 ( 0.707 -0.000 0.899) 1.143 5.813 ( -0.419 0.000 -0.860) 0.956 6.004 ( 0.336 -0.000 0.864) 0.927 6.534 ( -0.165 0.000 -0.296) 0.339 6.579 ( -0.102 0.000 0.017) 0.104 6.751 ( -0.300 0.000 -0.569) 0.643 6.943 ( 0.455 -0.000 0.370) 0.587 7.374 ( -0.375 0.000 -0.491) 0.618 7.426 ( -0.121 0.000 0.082) 0.146 7.618 ( -0.253 0.000 -0.236) 0.346 7.678 ( 0.182 -0.000 0.118) 0.217 7.915 ( 0.090 -0.000 -0.041) 0.099 7.919 ( 0.097 -0.000 0.045) 0.107 16.316 ( -0.615 0.000 0.011) 0.615 16.387 ( -0.040 0.000 -1.291) 1.291 17.178 ( 0.008 -0.000 0.761) 0.762 17.190 ( 0.931 -0.000 -0.738) 1.188 17.864 ( -0.649 0.000 0.561) 0.858 17.929 ( 0.420 -0.000 -0.669) 0.790 19.048 ( 1.456 -0.000 -0.039) 1.456 19.157 ( 0.900 -0.000 -0.550) 1.055 19.198 ( 1.656 -0.000 0.836) 1.855 19.392 ( 1.964 -0.000 1.400) 2.412 19.749 ( -3.741 0.000 -3.132) 4.879 19.987 ( -2.508 0.000 2.502) 3.543 ======================= Grid point 99 (44/93) ======================= q-point: ( 0.50 0.38 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 0.327 0.895 -2.119) 2.323 0.760 ( 0.110 -0.385 2.978) 3.005 0.920 ( 2.374 -1.504 -4.545) 5.343 1.010 ( 2.952 -1.287 2.122) 3.856 1.120 ( -0.802 0.263 0.967) 1.284 1.243 ( 3.496 -1.384 -6.477) 7.489 1.385 ( 1.365 3.105 10.095) 10.649 1.483 ( -2.250 -2.479 -3.937) 5.168 1.531 ( 0.779 -1.239 6.992) 7.143 1.728 ( -1.089 1.885 4.198) 4.729 1.844 ( 0.796 3.237 0.701) 3.406 1.919 ( 3.907 2.342 -1.849) 4.916 2.153 ( 0.345 4.288 1.682) 4.619 2.254 ( -1.044 -5.167 2.262) 5.736 2.339 ( -2.183 -2.125 -0.190) 3.053 2.422 ( -1.670 -3.682 -2.122) 4.566 2.532 ( 1.622 0.414 -0.643) 1.793 2.754 ( -3.610 3.515 -9.556) 10.803 2.861 ( -1.649 -0.654 -2.282) 2.890 2.908 ( -1.838 0.206 -5.687) 5.980 3.025 ( -1.461 2.670 2.507) 3.943 3.076 ( 3.543 3.851 -2.061) 5.624 3.183 ( 3.009 2.493 5.240) 6.536 3.210 ( 1.237 -2.354 -2.041) 3.352 3.249 ( 1.635 3.236 3.386) 4.961 3.361 ( 1.498 -2.868 0.059) 3.236 3.386 ( -2.219 0.047 -0.458) 2.266 3.438 ( -0.360 -0.946 -0.525) 1.140 3.477 ( 1.391 -2.604 4.062) 5.022 3.599 ( -0.925 -4.358 2.016) 4.890 3.740 ( 5.085 -0.578 -0.393) 5.133 3.748 ( -1.410 0.081 1.308) 1.925 3.875 ( -7.022 -0.570 -0.791) 7.089 3.943 ( 1.016 1.349 -3.706) 4.073 4.092 ( -0.494 0.617 -0.459) 0.914 4.153 ( -2.045 -1.743 -0.554) 2.743 4.569 ( 0.476 1.563 -0.754) 1.800 4.613 ( -0.396 -0.027 -1.019) 1.094 4.643 ( 1.783 -0.544 3.139) 3.651 4.886 ( -0.320 -1.198 0.223) 1.260 5.104 ( 1.553 -0.651 1.697) 2.391 5.468 ( -1.025 0.274 -1.001) 1.459 5.809 ( 0.575 0.310 0.124) 0.665 6.001 ( -1.116 -0.036 -0.934) 1.456 6.535 ( 0.049 -0.279 -0.174) 0.333 6.573 ( -0.752 -0.144 -1.077) 1.321 6.758 ( 1.360 0.077 1.682) 2.165 6.942 ( -0.307 0.200 -0.356) 0.510 7.370 ( 0.133 0.231 -0.102) 0.285 7.422 ( -0.331 0.174 -0.385) 0.537 7.615 ( 0.188 0.193 0.181) 0.324 7.676 ( -0.139 0.198 -0.207) 0.318 7.914 ( 0.083 0.136 0.001) 0.159 7.918 ( 0.015 0.180 0.006) 0.180 16.320 ( -0.134 -0.724 0.254) 0.779 16.385 ( 0.464 -0.117 -0.877) 0.999 17.154 ( -0.188 2.529 0.408) 2.569 17.185 ( 0.551 1.275 -0.492) 1.473 17.869 ( -0.350 -0.673 0.776) 1.085 17.934 ( 0.412 -0.507 -0.616) 0.898 19.049 ( 0.757 0.866 0.085) 1.153 19.147 ( -0.663 0.324 -2.331) 2.445 19.213 ( 1.921 1.036 2.390) 3.237 19.395 ( -0.354 0.779 -0.177) 0.874 19.734 ( 0.664 -0.600 0.195) 0.916 19.981 ( -3.044 -1.258 0.076) 3.294 ======================= Grid point 100 (45/93) ======================= q-point: (-0.38 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 1.474 -0.188 2.240) 2.688 0.798 ( 1.126 -2.175 2.708) 3.651 0.939 ( 0.780 -1.689 -0.036) 1.860 1.078 ( -0.698 -0.500 0.479) 0.983 1.123 ( 2.970 -0.501 2.503) 3.916 1.279 ( 2.947 -1.776 -0.477) 3.474 1.419 ( 4.642 1.948 8.360) 9.759 1.483 ( -2.764 -1.968 -3.785) 5.083 1.563 ( 1.940 2.188 3.998) 4.953 1.711 ( 1.022 2.337 5.345) 5.922 1.785 ( -0.791 2.837 -0.020) 2.945 1.956 ( 4.627 -2.402 2.114) 5.626 2.048 ( -3.122 5.446 0.835) 6.333 2.314 ( 0.577 0.273 -3.260) 3.322 2.360 ( -3.710 -2.350 -1.597) 4.673 2.449 ( -1.300 -3.991 -4.433) 6.105 2.554 ( 3.081 -1.115 -1.412) 3.568 2.635 ( -1.531 2.724 -5.263) 6.121 2.793 ( -9.535 -0.621 -8.546) 12.820 2.861 ( -0.591 1.814 -6.202) 6.488 2.969 ( -0.636 2.035 2.947) 3.638 3.011 ( 0.533 5.755 -0.281) 5.786 3.141 ( -1.887 3.022 5.476) 6.533 3.252 ( 0.730 -0.104 4.034) 4.101 3.301 ( 0.495 -3.652 0.283) 3.696 3.363 ( 2.733 -0.559 -1.899) 3.374 3.423 ( 0.865 -1.588 -0.131) 1.813 3.451 ( 0.870 -0.533 -0.009) 1.020 3.551 ( 0.141 -1.717 5.730) 5.983 3.637 ( -1.877 -2.255 -0.717) 3.021 3.753 ( -1.583 0.283 1.140) 1.971 3.777 ( 1.103 0.415 0.117) 1.184 3.855 ( 1.077 -1.994 -2.382) 3.288 3.904 ( -0.546 1.019 -2.432) 2.692 4.111 ( 1.726 -1.885 -0.074) 2.557 4.164 ( -1.533 -1.600 -0.580) 2.291 4.539 ( 0.696 1.885 -0.381) 2.046 4.594 ( -1.572 0.398 -1.564) 2.254 4.698 ( 3.520 -0.910 4.910) 6.110 4.906 ( -1.000 -1.521 -0.598) 1.916 5.151 ( 3.511 -0.668 3.855) 5.256 5.439 ( -2.585 0.293 -2.777) 3.805 5.814 ( 1.604 0.454 1.245) 2.081 5.979 ( -2.441 -0.035 -2.605) 3.569 6.542 ( 0.203 -0.382 -0.027) 0.433 6.565 ( -0.797 -0.367 -1.173) 1.465 6.782 ( 2.293 0.214 2.876) 3.685 6.928 ( -1.070 0.322 -1.136) 1.593 7.368 ( 0.521 0.319 0.298) 0.679 7.412 ( -0.558 0.217 -0.705) 0.925 7.616 ( 0.580 0.263 0.593) 0.870 7.667 ( -0.456 0.289 -0.548) 0.769 7.912 ( 0.053 0.210 0.027) 0.219 7.914 ( -0.051 0.265 -0.021) 0.270 16.339 ( 0.090 -1.079 0.441) 1.169 16.388 ( 0.631 -0.040 -0.549) 0.837 17.100 ( -0.478 3.206 0.524) 3.284 17.151 ( 0.272 2.427 -0.649) 2.527 17.886 ( -0.174 -1.027 0.854) 1.346 17.945 ( 0.435 -0.653 -0.560) 0.964 19.034 ( -0.047 1.171 0.267) 1.202 19.114 ( -1.467 0.935 -2.571) 3.105 19.219 ( 1.930 1.258 2.703) 3.552 19.363 ( -1.818 1.248 -1.319) 2.569 19.777 ( 3.703 -1.067 2.873) 4.807 19.982 ( -2.983 -2.184 -2.184) 4.294 ======================= Grid point 101 (46/93) ======================= q-point: (-0.25 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 3.680 -0.189 5.265) 6.426 0.874 ( 4.049 -2.038 2.365) 5.113 0.985 ( -0.909 -1.021 -0.374) 1.417 1.066 ( 3.094 0.280 7.861) 8.453 1.160 ( -1.070 -0.911 -2.642) 2.992 1.337 ( 1.292 -1.146 3.906) 4.271 1.389 ( -0.998 3.079 -2.263) 3.949 1.470 ( -4.900 1.077 -1.939) 5.379 1.584 ( 2.823 -1.868 2.138) 4.004 1.684 ( 0.394 3.725 1.958) 4.227 1.795 ( 5.307 -0.712 8.697) 10.214 1.952 ( 0.030 3.333 0.280) 3.345 2.069 ( 2.666 -5.047 2.190) 6.114 2.224 ( -1.438 4.638 -7.150) 8.643 2.371 ( -0.251 -1.922 -1.741) 2.605 2.459 ( -6.227 -1.106 -12.927) 14.391 2.564 ( -0.921 -3.080 -0.031) 3.215 2.625 ( 2.512 0.491 3.043) 3.976 2.686 ( -4.892 0.360 -8.680) 9.970 2.799 ( -3.495 1.162 0.990) 3.814 2.889 ( 0.175 7.688 0.518) 7.707 2.963 ( -0.174 -1.338 -4.158) 4.372 3.115 ( 0.420 2.845 6.918) 7.492 3.261 ( -0.192 0.913 -0.405) 1.017 3.307 ( -3.354 -1.026 -0.010) 3.507 3.431 ( 3.202 0.792 -0.605) 3.353 3.452 ( 1.312 -0.827 1.778) 2.359 3.473 ( 0.245 -2.926 0.832) 3.051 3.584 ( -1.338 -0.172 4.693) 4.883 3.671 ( 2.996 -0.691 0.728) 3.159 3.718 ( -3.291 -0.467 -0.330) 3.341 3.786 ( 0.618 -0.776 -0.996) 1.406 3.857 ( 1.931 2.141 0.093) 2.885 3.919 ( -1.289 -3.893 -3.680) 5.510 4.156 ( -0.738 -1.798 -0.107) 1.947 4.187 ( 1.752 -1.435 -0.112) 2.267 4.517 ( 1.261 1.637 0.831) 2.228 4.565 ( -2.063 -0.064 -2.305) 3.094 4.770 ( 4.293 -0.508 5.615) 7.086 4.909 ( -2.194 -0.883 -2.134) 3.185 5.214 ( 4.626 -0.199 5.132) 6.913 5.392 ( -3.844 0.080 -4.286) 5.758 5.832 ( 2.507 0.405 2.417) 3.506 5.941 ( -3.245 -0.097 -3.684) 4.911 6.550 ( 0.265 -0.272 0.153) 0.409 6.563 ( -0.555 -0.445 -0.787) 1.061 6.812 ( 2.638 0.281 3.158) 4.125 6.904 ( -1.770 0.309 -1.930) 2.637 7.370 ( 0.728 0.222 0.669) 1.013 7.400 ( -0.741 0.094 -0.860) 1.139 7.621 ( 0.775 0.187 0.872) 1.182 7.655 ( -0.673 0.204 -0.833) 1.090 7.908 ( -0.043 0.213 0.010) 0.218 7.909 ( -0.002 0.171 -0.007) 0.171 16.360 ( 0.129 -0.974 0.435) 1.074 16.389 ( 0.428 0.206 -0.310) 0.567 17.048 ( -0.581 2.324 0.695) 2.495 17.108 ( 0.164 1.982 -0.767) 2.132 17.906 ( -0.268 -0.791 0.726) 1.106 17.957 ( 0.558 -0.423 -0.468) 0.842 19.015 ( -0.188 0.953 0.489) 1.088 19.071 ( -1.559 1.042 -2.162) 2.862 19.230 ( 2.170 0.826 2.927) 3.736 19.316 ( -2.141 1.265 -1.940) 3.154 19.845 ( 4.192 -0.824 4.025) 5.870 19.986 ( -2.903 -2.473 -3.610) 5.251 ======================= Grid point 102 (47/93) ======================= q-point: (-0.12 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 1.446 2.932 2.503) 4.117 0.934 ( 3.661 -0.589 -1.602) 4.040 0.970 ( 5.296 4.536 5.045) 8.607 1.099 ( -1.108 3.824 -5.925) 7.139 1.189 ( 1.143 -5.399 6.573) 8.583 1.312 ( -2.249 0.863 -1.767) 2.987 1.348 ( -6.842 1.425 -2.080) 7.291 1.417 ( 1.581 0.346 2.411) 2.904 1.616 ( -4.590 -1.920 -0.198) 4.979 1.655 ( -0.074 0.025 0.516) 0.522 1.905 ( 2.123 -2.648 2.478) 4.202 1.999 ( 12.546 -0.586 11.993) 17.366 2.087 ( -3.189 3.474 -7.308) 8.697 2.188 ( -0.543 -5.545 -0.004) 5.572 2.306 ( -6.528 2.122 -10.799) 12.796 2.410 ( -2.537 -2.289 -1.429) 3.704 2.583 ( 0.497 0.996 -5.002) 5.124 2.626 ( 0.298 -0.551 1.495) 1.620 2.695 ( 3.699 -1.625 4.169) 5.805 2.730 ( -2.771 5.127 -1.000) 5.913 2.802 ( 0.730 1.399 0.925) 1.829 2.970 ( -1.443 -2.555 -3.993) 4.955 3.122 ( 4.311 2.189 6.115) 7.795 3.220 ( -2.770 0.810 -2.105) 3.572 3.293 ( -0.955 1.417 -0.352) 1.745 3.397 ( 0.909 3.144 -3.046) 4.471 3.451 ( 0.321 1.769 1.465) 2.319 3.501 ( -0.663 0.341 -0.504) 0.900 3.622 ( 1.708 -0.650 4.686) 5.029 3.703 ( 0.708 0.393 1.177) 1.428 3.723 ( -0.970 -1.761 1.408) 2.454 3.804 ( -0.998 -1.796 -1.035) 2.300 3.861 ( 0.274 -1.868 0.882) 2.084 3.948 ( -1.828 -2.842 -3.162) 4.628 4.162 ( -1.508 -0.378 -0.593) 1.664 4.224 ( 2.121 -0.488 0.082) 2.178 4.512 ( 1.261 0.692 1.708) 2.233 4.546 ( -1.287 -0.526 -1.870) 2.330 4.830 ( 3.317 0.230 4.257) 5.402 4.880 ( -2.818 0.198 -3.380) 4.405 5.280 ( 5.035 0.085 5.626) 7.551 5.333 ( -4.753 -0.037 -5.424) 7.212 5.863 ( 3.149 0.226 3.426) 4.659 5.899 ( -3.285 -0.311 -3.864) 5.081 6.556 ( 0.187 -0.090 0.316) 0.378 6.563 ( -0.315 -0.232 -0.405) 0.563 6.844 ( 2.652 0.165 2.947) 3.968 6.872 ( -2.293 0.183 -2.649) 3.509 7.379 ( 0.710 -0.044 0.908) 1.154 7.390 ( -0.755 -0.188 -0.802) 1.117 7.630 ( 0.513 -0.004 0.723) 0.886 7.644 ( -0.471 -0.002 -0.736) 0.873 7.906 ( -0.021 0.053 0.024) 0.062 7.908 ( 0.011 0.036 -0.024) 0.045 16.375 ( -0.045 -0.128 0.209) 0.249 16.388 ( 0.215 -0.182 -0.039) 0.284 17.024 ( -0.404 0.305 0.869) 1.006 17.086 ( 0.304 0.179 -0.795) 0.870 17.914 ( -0.447 -0.071 0.524) 0.693 17.963 ( 0.547 -0.034 -0.456) 0.713 19.005 ( 0.156 0.421 0.647) 0.787 19.040 ( -0.634 0.458 -1.195) 1.428 19.250 ( 1.388 0.413 1.963) 2.439 19.270 ( -0.860 1.083 -1.552) 2.078 19.902 ( 2.404 -0.322 3.773) 4.485 19.985 ( -2.584 -1.994 -3.672) 4.913 ======================= Grid point 108 (48/93) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 0.768 -0.000 -2.759) 2.864 0.722 ( -7.144 0.000 -1.028) 7.218 0.906 ( 3.907 -0.000 -5.305) 6.589 1.043 ( 0.789 -0.000 3.770) 3.852 1.120 ( 0.431 -0.000 3.988) 4.012 1.266 ( 9.215 -0.000 -2.802) 9.631 1.418 ( -1.414 0.000 -4.798) 5.002 1.495 ( 1.349 -0.000 11.132) 11.214 1.600 ( 7.817 -0.000 14.032) 16.063 1.724 ( -4.564 0.000 -0.472) 4.588 1.907 ( 1.506 -0.000 2.316) 2.762 1.970 ( 5.117 -0.000 0.060) 5.117 2.175 ( -5.235 0.000 3.645) 6.379 2.226 ( -3.476 0.000 -1.941) 3.981 2.299 ( 2.493 -0.000 0.805) 2.620 2.360 ( -1.921 0.000 -0.720) 2.051 2.539 ( 0.739 -0.000 -1.096) 1.322 2.728 ( -1.504 0.000 -7.516) 7.665 2.749 ( -11.638 0.000 -11.823) 16.590 2.874 ( 0.870 -0.000 -7.382) 7.433 3.087 ( 2.340 -0.000 6.669) 7.068 3.150 ( -1.983 0.000 -3.792) 4.280 3.163 ( 4.016 -0.000 -3.093) 5.070 3.215 ( -3.099 0.000 1.323) 3.370 3.304 ( 3.967 -0.000 -1.198) 4.144 3.348 ( -0.605 0.000 0.673) 0.905 3.379 ( -0.987 0.000 1.964) 2.198 3.407 ( -1.502 0.000 1.905) 2.426 3.484 ( 0.467 -0.000 5.160) 5.182 3.555 ( -2.916 0.000 2.230) 3.671 3.752 ( 0.926 -0.000 1.789) 2.014 3.785 ( 4.543 -0.000 1.009) 4.654 3.822 ( -2.690 0.000 -0.301) 2.706 3.953 ( 2.629 -0.000 -4.235) 4.985 4.091 ( -1.459 0.000 -0.220) 1.476 4.114 ( -0.449 0.000 -2.157) 2.203 4.579 ( -0.971 0.000 -0.899) 1.323 4.603 ( -0.113 0.000 -1.775) 1.779 4.676 ( 2.623 -0.000 5.193) 5.818 4.872 ( -0.412 0.000 -0.261) 0.487 5.136 ( 3.907 -0.000 4.415) 5.896 5.446 ( -2.725 0.000 -2.905) 3.983 5.823 ( 1.599 -0.000 1.087) 1.933 5.978 ( -2.425 0.000 -2.452) 3.449 6.533 ( 0.272 -0.000 -0.103) 0.291 6.558 ( -0.899 0.000 -1.487) 1.737 6.786 ( 2.350 -0.000 3.060) 3.858 6.935 ( -1.031 0.000 -1.081) 1.494 7.375 ( 0.562 -0.000 0.175) 0.588 7.417 ( -0.581 0.000 -0.795) 0.985 7.622 ( 0.594 -0.000 0.573) 0.826 7.674 ( -0.422 0.000 -0.532) 0.679 7.917 ( 0.073 -0.000 0.042) 0.084 7.920 ( -0.071 0.000 -0.032) 0.078 16.315 ( 0.087 -0.000 0.501) 0.508 16.386 ( 0.969 -0.000 -0.813) 1.264 17.175 ( -0.866 0.000 0.143) 0.878 17.198 ( 0.673 -0.000 -0.345) 0.756 17.865 ( -0.084 0.000 0.962) 0.966 17.930 ( 0.387 -0.000 -0.626) 0.736 19.061 ( -0.011 0.000 0.092) 0.092 19.131 ( -1.250 0.000 -2.422) 2.726 19.247 ( 1.179 -0.000 2.741) 2.984 19.388 ( -1.983 0.000 -1.426) 2.442 19.759 ( 4.979 -0.000 2.658) 5.644 19.935 ( -3.960 0.000 -1.782) 4.343 ======================= Grid point 109 (49/93) ======================= q-point: (-0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( -5.647 -3.061 0.228) 6.427 0.733 ( -1.596 -2.839 -2.048) 3.847 0.932 ( 4.135 -1.299 -3.514) 5.580 1.046 ( -2.092 -0.703 -0.052) 2.207 1.163 ( 2.309 -0.181 5.897) 6.335 1.332 ( 4.530 0.089 2.377) 5.116 1.416 ( 3.740 -0.796 -3.032) 4.880 1.524 ( -0.933 1.687 5.766) 6.080 1.635 ( -0.760 3.410 1.366) 3.751 1.781 ( 6.813 -1.182 11.283) 13.233 1.873 ( 2.487 5.238 3.600) 6.825 1.999 ( 3.540 1.641 2.755) 4.776 2.104 ( -5.019 3.872 0.228) 6.343 2.224 ( -4.339 -5.018 -0.499) 6.653 2.338 ( -0.782 -1.865 -0.867) 2.200 2.356 ( -1.016 -0.131 -5.129) 5.231 2.545 ( 1.361 -0.590 -1.233) 1.929 2.597 ( -8.681 -1.160 -10.225) 13.462 2.685 ( -1.745 0.791 -5.467) 5.793 2.840 ( -0.270 0.369 -7.116) 7.131 3.032 ( -0.702 4.582 0.490) 4.661 3.126 ( 0.683 4.701 -0.643) 4.794 3.172 ( -1.609 -0.700 3.883) 4.261 3.225 ( -2.332 -2.132 1.953) 3.715 3.296 ( 0.621 1.267 0.537) 1.509 3.347 ( -1.723 -2.644 -3.234) 4.518 3.403 ( 4.715 -0.373 1.233) 4.887 3.445 ( 1.300 -1.900 -0.058) 2.303 3.524 ( -3.565 -2.338 5.463) 6.929 3.551 ( -5.442 -2.660 0.885) 6.122 3.770 ( 0.944 0.881 1.550) 2.017 3.795 ( 0.444 -0.103 2.045) 2.095 3.841 ( 4.606 0.249 -1.471) 4.842 3.937 ( 2.684 1.877 -3.570) 4.845 4.095 ( 0.430 -1.194 -0.113) 1.274 4.120 ( 0.534 -1.802 -2.080) 2.803 4.560 ( -1.216 0.462 -0.916) 1.591 4.582 ( -0.996 0.778 -1.564) 2.011 4.736 ( 3.524 -0.932 5.524) 6.618 4.872 ( -0.951 -0.780 -1.145) 1.680 5.202 ( 5.216 -0.303 5.937) 7.909 5.398 ( -4.181 0.152 -4.563) 6.191 5.845 ( 2.557 0.263 2.115) 3.328 5.940 ( -3.264 0.014 -3.501) 4.787 6.538 ( 0.450 -0.263 -0.002) 0.521 6.548 ( -0.626 -0.287 -1.155) 1.345 6.821 ( 2.602 0.157 3.409) 4.291 6.915 ( -1.719 0.238 -1.811) 2.508 7.380 ( 0.843 0.217 0.405) 0.960 7.405 ( -0.775 0.136 -1.041) 1.305 7.630 ( 0.860 0.194 0.872) 1.240 7.664 ( -0.674 0.219 -0.833) 1.093 7.916 ( 0.039 0.151 0.063) 0.168 7.917 ( -0.134 0.166 -0.053) 0.220 16.325 ( 0.076 -0.708 0.553) 0.902 16.391 ( 1.125 -0.013 -0.892) 1.436 17.146 ( -1.121 2.216 0.133) 2.487 17.188 ( 0.400 1.569 -0.337) 1.654 17.876 ( 0.076 -0.591 1.002) 1.166 17.935 ( 0.400 -0.552 -0.659) 0.948 19.052 ( -0.487 0.811 0.410) 1.031 19.102 ( -1.858 0.487 -2.240) 2.951 19.261 ( 0.810 0.695 2.921) 3.110 19.354 ( -2.690 0.721 -1.896) 3.369 19.827 ( 6.623 0.012 3.876) 7.674 19.907 ( -3.299 -1.734 -3.219) 4.925 ======================= Grid point 110 (50/93) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -2.204 -3.866 4.016) 5.994 0.778 ( -2.987 -8.763 -0.471) 9.270 0.956 ( 1.095 -0.188 -2.794) 3.007 1.064 ( 0.179 -2.955 -1.728) 3.428 1.205 ( 3.338 1.591 6.755) 7.701 1.344 ( -2.377 -0.404 -2.388) 3.394 1.438 ( -0.240 3.050 0.108) 3.061 1.461 ( -1.406 1.546 0.122) 2.093 1.597 ( -0.303 2.308 2.514) 3.426 1.756 ( -1.466 4.979 0.059) 5.191 1.922 ( 9.020 2.582 7.676) 12.122 2.018 ( 2.285 2.595 2.448) 4.237 2.055 ( 2.785 -1.722 6.166) 6.981 2.214 ( -8.362 2.147 -10.443) 13.550 2.278 ( -2.785 -4.387 -5.668) 7.690 2.383 ( 1.994 0.202 -0.056) 2.005 2.513 ( -3.206 -0.448 -3.373) 4.675 2.607 ( 0.612 -2.665 -3.254) 4.251 2.654 ( 1.407 -0.524 1.113) 1.869 2.787 ( -2.719 1.044 -4.314) 5.205 2.963 ( -1.292 2.817 0.114) 3.101 3.022 ( -0.663 6.182 0.310) 6.225 3.195 ( 2.495 1.174 6.359) 6.931 3.245 ( -3.805 -2.563 3.460) 5.746 3.284 ( -0.022 1.431 -1.172) 1.850 3.390 ( -1.420 -4.430 -1.300) 4.831 3.453 ( 2.675 -0.627 -1.726) 3.245 3.471 ( 0.931 -0.431 0.861) 1.339 3.548 ( -4.031 -3.491 0.194) 5.337 3.585 ( -4.665 -4.185 2.692) 6.821 3.753 ( 2.090 2.396 -0.053) 3.180 3.800 ( 1.217 1.517 0.521) 2.013 3.859 ( 1.137 -0.226 -2.997) 3.214 3.919 ( 4.242 1.321 -1.053) 4.566 4.122 ( -0.205 -1.851 0.006) 1.863 4.169 ( 2.687 -2.327 -0.393) 3.576 4.530 ( -2.642 0.340 -1.790) 3.210 4.561 ( 0.825 0.981 0.206) 1.298 4.809 ( 3.077 -1.223 4.540) 5.619 4.866 ( -1.833 -0.674 -2.197) 2.939 5.279 ( 5.344 -0.142 6.082) 8.098 5.334 ( -5.015 0.027 -5.598) 7.516 5.876 ( 3.232 0.386 3.028) 4.446 5.895 ( -3.419 0.019 -3.790) 5.105 6.545 ( -0.184 -0.425 -0.489) 0.673 6.550 ( 0.377 -0.424 -0.047) 0.569 6.853 ( 2.464 0.279 3.154) 4.012 6.882 ( -2.348 0.379 -2.488) 3.442 7.384 ( 0.715 0.301 0.464) 0.904 7.391 ( -0.707 0.151 -0.965) 1.206 7.637 ( 0.725 0.321 0.848) 1.162 7.649 ( -0.641 0.267 -0.879) 1.120 7.912 ( -0.145 0.235 -0.041) 0.279 7.913 ( 0.007 0.220 0.047) 0.225 16.344 ( -0.058 -1.064 0.405) 1.140 16.393 ( 0.636 0.135 -1.058) 1.242 17.091 ( -1.237 2.825 0.318) 3.100 17.151 ( 0.340 2.626 -0.376) 2.674 17.893 ( -0.089 -0.796 0.817) 1.144 17.948 ( 0.508 -0.759 -0.663) 1.128 19.034 ( -0.386 1.033 0.821) 1.375 19.066 ( -1.787 0.760 -1.667) 2.559 19.268 ( 0.273 0.657 2.517) 2.616 19.307 ( -2.168 0.963 -1.660) 2.895 19.868 ( -1.273 -1.346 -1.511) 2.391 19.934 ( 4.913 -0.900 1.670) 5.267 ======================= Grid point 111 (51/93) ======================= q-point: (-0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -4.177 -2.396 -1.163) 4.954 0.927 ( 1.078 -0.708 -3.941) 4.147 0.968 ( -4.312 -7.754 3.695) 9.611 1.103 ( 1.566 -1.091 -1.253) 2.283 1.208 ( -0.295 2.797 -1.068) 3.008 1.301 ( -0.643 0.557 1.222) 1.489 1.328 ( -5.045 2.790 -3.286) 6.636 1.485 ( 4.060 1.539 6.884) 8.139 1.560 ( -3.002 0.405 -0.179) 3.035 1.674 ( -0.877 2.674 -1.002) 2.987 1.902 ( -0.929 2.425 -5.013) 5.646 2.023 ( -8.383 1.242 -4.205) 9.460 2.093 ( 4.338 -3.074 -3.061) 6.135 2.197 ( 9.720 -1.186 12.363) 15.771 2.297 ( 2.029 4.577 -5.981) 7.800 2.348 ( -1.027 -2.421 0.715) 2.725 2.561 ( -0.698 -5.364 2.112) 5.807 2.597 ( 1.649 1.118 -3.714) 4.215 2.709 ( -0.813 0.456 0.476) 1.047 2.746 ( -0.524 -1.362 1.952) 2.437 2.912 ( 1.152 6.162 1.338) 6.410 2.921 ( -1.025 0.653 -0.574) 1.344 3.222 ( 0.413 1.286 1.710) 2.179 3.240 ( 2.216 2.975 5.168) 6.362 3.288 ( -0.168 -1.431 1.441) 2.037 3.427 ( -1.209 1.119 -2.924) 3.356 3.434 ( -2.847 -2.054 0.257) 3.520 3.498 ( 0.355 -0.358 0.162) 0.529 3.596 ( -4.204 -5.724 -1.853) 7.340 3.638 ( -0.676 -2.888 2.073) 3.618 3.727 ( -0.316 0.990 -0.824) 1.326 3.779 ( 0.892 1.144 -0.923) 1.719 3.837 ( -0.215 0.660 -3.335) 3.407 3.946 ( 4.278 0.214 1.177) 4.442 4.154 ( 1.244 -0.737 0.676) 1.596 4.223 ( 1.702 -1.486 0.172) 2.266 4.499 ( -2.406 -0.354 -1.832) 3.045 4.560 ( 1.636 0.740 1.312) 2.224 4.819 ( -3.867 -0.112 -3.883) 5.482 4.886 ( 2.892 -0.578 3.364) 4.474 5.266 ( -5.050 -0.102 -5.750) 7.653 5.348 ( 4.703 0.099 5.303) 7.089 5.851 ( -2.988 -0.142 -3.368) 4.505 5.913 ( 3.515 0.340 3.616) 5.054 6.549 ( -0.235 -0.431 -0.345) 0.600 6.561 ( 0.582 -0.265 0.359) 0.733 6.842 ( -2.741 0.315 -2.952) 4.041 6.881 ( 2.133 0.255 2.579) 3.357 7.376 ( -0.833 0.035 -0.916) 1.238 7.391 ( 0.758 0.131 0.698) 1.039 7.629 ( -0.758 0.236 -0.820) 1.141 7.647 ( 0.757 0.168 0.736) 1.069 7.907 ( -0.098 0.147 -0.016) 0.178 7.910 ( -0.002 0.179 0.017) 0.180 16.363 ( -0.162 -0.984 0.168) 1.011 16.387 ( -0.046 0.133 -0.933) 0.944 17.040 ( -1.029 1.812 0.474) 2.136 17.108 ( 0.474 2.095 -0.314) 2.171 17.907 ( -0.278 -0.558 0.595) 0.862 17.960 ( 0.359 -0.495 -0.716) 0.942 19.016 ( -0.792 0.731 0.288) 1.115 19.042 ( 0.141 0.409 0.102) 0.444 19.245 ( -2.513 0.614 -2.254) 3.431 19.295 ( 1.052 0.465 2.485) 2.739 19.866 ( -3.346 -2.094 -3.497) 5.273 19.995 ( 5.542 0.601 3.309) 6.483 ======================= Grid point 117 (52/93) ======================= q-point: (-0.38 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -9.433 0.000 -3.222) 9.968 0.681 ( -4.520 0.000 0.054) 4.521 0.941 ( 5.243 -0.000 -2.277) 5.716 1.009 ( -3.143 0.000 -3.428) 4.651 1.224 ( 5.200 -0.000 7.163) 8.851 1.313 ( -2.009 0.000 -3.499) 4.035 1.469 ( -11.703 0.000 -8.011) 14.182 1.512 ( 11.641 -0.000 5.813) 13.012 1.701 ( 0.892 -0.000 7.650) 7.702 1.862 ( 3.022 -0.000 4.997) 5.839 2.011 ( 9.001 -0.000 9.323) 12.959 2.061 ( -0.714 0.000 2.747) 2.838 2.087 ( -4.331 0.000 -1.825) 4.700 2.162 ( 3.179 -0.000 3.372) 4.635 2.229 ( -10.107 0.000 -6.966) 12.275 2.390 ( 3.235 -0.000 2.641) 4.176 2.457 ( -6.585 0.000 -7.965) 10.335 2.540 ( 0.572 -0.000 -0.310) 0.651 2.681 ( 1.687 -0.000 -2.977) 3.422 2.810 ( -0.379 0.000 -6.964) 6.975 3.077 ( -3.100 0.000 -2.659) 4.084 3.097 ( -3.132 0.000 -2.870) 4.248 3.189 ( -1.381 0.000 2.392) 2.762 3.230 ( -4.620 0.000 -4.322) 6.327 3.238 ( 3.238 -0.000 3.878) 5.052 3.363 ( 0.088 -0.000 0.533) 0.540 3.404 ( -1.555 0.000 1.254) 1.998 3.450 ( 4.506 -0.000 1.284) 4.686 3.487 ( -5.568 0.000 5.021) 7.498 3.496 ( -4.271 0.000 1.947) 4.694 3.795 ( 0.996 -0.000 0.600) 1.163 3.815 ( 2.765 -0.000 2.037) 3.435 3.882 ( 4.034 -0.000 -1.118) 4.186 3.964 ( 3.307 -0.000 -3.245) 4.633 4.089 ( 1.811 -0.000 -0.789) 1.976 4.097 ( 1.513 -0.000 -2.393) 2.831 4.542 ( -2.359 0.000 -1.040) 2.578 4.576 ( -1.086 0.000 -1.063) 1.520 4.779 ( 3.365 -0.000 4.913) 5.955 4.852 ( -0.940 0.000 -1.849) 2.074 5.276 ( 5.701 -0.000 6.553) 8.686 5.334 ( -5.504 0.000 -6.012) 8.151 5.884 ( 3.276 -0.000 2.913) 4.384 5.896 ( -3.412 0.000 -3.677) 5.016 6.536 ( -0.378 0.000 -0.888) 0.965 6.541 ( 0.709 -0.000 0.073) 0.713 6.859 ( 2.430 -0.000 3.273) 4.076 6.891 ( -2.230 0.000 -2.453) 3.315 7.392 ( 1.021 -0.000 0.377) 1.088 7.394 ( -0.892 0.000 -1.179) 1.478 7.644 ( 0.967 -0.000 0.998) 1.390 7.656 ( -0.826 0.000 -1.062) 1.345 7.917 ( -0.199 0.000 -0.074) 0.213 7.918 ( 0.014 -0.000 0.084) 0.085 16.322 ( -0.067 0.000 0.502) 0.506 16.396 ( 1.456 -0.000 -1.542) 2.121 17.154 ( -1.596 0.000 -0.178) 1.606 17.205 ( 0.390 -0.000 -0.010) 0.390 17.877 ( 0.350 -0.000 0.992) 1.052 17.929 ( 0.345 -0.000 -0.770) 0.843 19.057 ( -0.582 0.000 0.768) 0.964 19.079 ( -2.469 0.000 -1.812) 3.063 19.285 ( 0.137 -0.000 3.308) 3.311 19.327 ( -3.217 0.000 -1.855) 3.714 19.839 ( -3.801 0.000 -4.340) 5.769 19.918 ( 9.087 -0.000 4.402) 10.098 ======================= Grid point 118 (53/93) ======================= q-point: (-0.25 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( -7.425 -9.701 -0.748) 12.240 0.660 ( -8.405 -3.071 2.411) 9.268 0.949 ( -0.776 0.771 -4.422) 4.555 1.012 ( 2.933 -2.752 -1.474) 4.283 1.268 ( -4.332 0.771 -4.428) 6.242 1.306 ( -11.731 -0.709 -8.482) 14.494 1.322 ( 4.105 -1.288 3.275) 5.407 1.604 ( 8.397 3.018 7.229) 11.484 1.688 ( -0.194 5.379 5.120) 7.429 1.827 ( -1.830 4.242 -2.070) 5.063 2.007 ( -0.825 1.217 0.408) 1.526 2.070 ( -9.293 -0.208 -11.009) 14.408 2.076 ( -2.436 1.009 -4.632) 5.330 2.158 ( 11.475 0.562 12.576) 17.033 2.239 ( 2.949 -0.179 6.816) 7.429 2.410 ( 0.885 -1.483 1.305) 2.165 2.466 ( 2.690 -0.783 -0.392) 2.829 2.571 ( 1.213 -2.767 0.700) 3.101 2.675 ( 2.462 1.338 0.335) 2.823 2.758 ( -2.580 0.823 -5.204) 5.867 3.001 ( -4.206 3.430 -0.543) 5.454 3.058 ( -2.261 -0.227 -1.330) 2.633 3.194 ( -2.715 -1.733 0.130) 3.224 3.238 ( -1.165 -3.686 0.586) 3.910 3.274 ( -0.745 -2.108 0.810) 2.378 3.319 ( -0.494 2.736 0.765) 2.883 3.428 ( -2.468 -1.380 0.681) 2.909 3.474 ( -2.573 -0.780 0.803) 2.806 3.479 ( -0.024 -0.182 1.257) 1.270 3.517 ( -0.184 -2.605 3.647) 4.485 3.787 ( -0.774 0.899 -2.022) 2.345 3.837 ( 2.026 0.846 0.427) 2.236 3.890 ( 4.063 1.725 -1.474) 4.654 3.977 ( 5.557 1.082 -1.475) 5.850 4.087 ( 0.687 -1.170 -1.220) 1.824 4.149 ( 3.031 -2.478 -0.469) 3.943 4.507 ( -3.075 0.685 -1.171) 3.361 4.570 ( -0.295 -0.426 0.094) 0.527 4.819 ( -0.646 0.329 -0.936) 1.184 4.847 ( 1.653 -1.210 1.711) 2.669 5.259 ( -5.731 -0.251 -6.354) 8.560 5.350 ( 5.069 0.020 5.808) 7.709 5.852 ( -2.989 0.083 -3.222) 4.396 5.925 ( 3.527 0.232 3.352) 4.871 6.533 ( -0.180 -0.337 -0.545) 0.665 6.550 ( 0.863 -0.234 0.197) 0.915 6.855 ( -2.681 0.324 -3.001) 4.038 6.890 ( 2.013 0.179 2.728) 3.395 7.380 ( -0.868 0.122 -1.082) 1.392 7.399 ( 0.894 0.209 0.289) 0.962 7.641 ( -0.839 0.273 -1.076) 1.391 7.655 ( 0.851 0.158 0.890) 1.241 7.913 ( -0.203 0.143 -0.066) 0.257 7.917 ( -0.019 0.154 0.072) 0.171 16.329 ( -0.240 -0.680 0.363) 0.807 16.395 ( 0.877 0.302 -2.369) 2.544 17.122 ( -1.686 1.877 0.014) 2.523 17.193 ( 0.314 1.726 -0.028) 1.755 17.887 ( 0.167 -0.292 0.708) 0.783 17.935 ( 0.471 -0.678 -0.823) 1.166 19.044 ( -2.245 0.618 -0.648) 2.417 19.057 ( -0.536 0.195 0.618) 0.841 19.275 ( -3.027 1.138 -0.942) 3.368 19.308 ( -0.292 -0.064 2.782) 2.798 19.800 ( -3.096 -1.216 -4.316) 5.449 20.012 ( 8.824 0.208 3.885) 9.643 ======================= Grid point 119 (54/93) ======================= q-point: (-0.12 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( -7.829 -5.611 -2.907) 10.062 0.755 ( -7.554 -11.719 6.224) 15.269 0.896 ( -2.835 0.395 -6.487) 7.090 1.074 ( -2.464 -2.355 -3.232) 4.698 1.110 ( -10.958 -3.334 -9.590) 14.939 1.289 ( 1.357 -0.071 -1.972) 2.394 1.389 ( 4.232 1.386 6.181) 7.618 1.594 ( 1.367 4.529 0.979) 4.831 1.617 ( 3.382 4.930 6.945) 9.164 1.722 ( -0.999 4.408 -4.008) 6.041 1.895 ( -7.449 3.733 -9.492) 12.630 1.993 ( 0.686 1.079 -2.390) 2.711 2.065 ( 0.465 -0.992 -1.148) 1.587 2.269 ( 4.132 -1.042 6.832) 8.052 2.323 ( 2.220 -2.467 5.331) 6.280 2.418 ( 2.336 5.263 -3.955) 6.986 2.504 ( 7.134 -3.109 4.822) 9.155 2.601 ( -0.442 0.350 -2.516) 2.578 2.695 ( -3.237 0.225 -1.471) 3.563 2.742 ( 2.805 -1.955 7.353) 8.110 2.920 ( -2.996 1.133 0.118) 3.205 3.029 ( 0.453 4.183 1.726) 4.548 3.215 ( -2.316 -2.767 0.623) 3.662 3.268 ( -0.710 1.346 0.941) 1.790 3.309 ( -3.295 -3.486 -1.141) 4.931 3.342 ( 2.515 -4.686 1.132) 5.437 3.417 ( -1.511 0.572 0.421) 1.670 3.470 ( -2.660 -1.089 0.918) 3.017 3.492 ( -0.525 -0.968 -0.217) 1.123 3.579 ( -0.743 -3.060 1.314) 3.413 3.736 ( -2.211 1.492 -3.434) 4.349 3.823 ( 0.873 2.053 0.472) 2.281 3.866 ( 2.678 3.109 -2.925) 5.039 4.002 ( 5.923 0.893 0.725) 6.033 4.146 ( 3.478 -2.952 0.150) 4.564 4.207 ( 1.544 -1.775 0.326) 2.375 4.469 ( -2.786 0.158 -0.957) 2.950 4.580 ( 0.437 -0.224 0.760) 0.905 4.772 ( -3.520 0.834 -4.378) 5.679 4.904 ( 2.226 -1.406 2.569) 3.679 5.194 ( -4.643 -0.446 -5.307) 7.066 5.409 ( 3.833 0.205 4.299) 5.764 5.816 ( -2.192 0.071 -2.332) 3.202 5.963 ( 3.163 0.307 3.186) 4.500 6.538 ( -0.088 -0.494 -0.266) 0.568 6.564 ( 0.910 -0.302 0.444) 1.057 6.810 ( -2.963 0.365 -3.119) 4.317 6.911 ( 1.479 0.269 1.957) 2.468 7.367 ( -0.714 0.135 -0.804) 1.083 7.403 ( 0.583 0.192 0.395) 0.730 7.624 ( -0.715 0.313 -0.905) 1.195 7.661 ( 0.673 0.250 0.731) 1.025 7.909 ( -0.149 0.173 -0.035) 0.231 7.913 ( -0.034 0.228 0.035) 0.233 16.344 ( -0.308 -1.047 0.248) 1.119 16.380 ( -0.337 0.089 -2.219) 2.246 17.071 ( -1.397 2.392 0.365) 2.794 17.155 ( 0.369 2.635 -0.117) 2.663 17.897 ( -0.230 -0.609 0.516) 0.830 17.947 ( 0.309 -0.706 -0.961) 1.232 19.013 ( -2.096 0.315 -0.483) 2.174 19.059 ( 0.876 0.340 1.515) 1.783 19.224 ( -2.956 0.815 -2.333) 3.853 19.319 ( -0.204 0.450 3.353) 3.389 19.788 ( -2.335 -1.922 -3.421) 4.566 20.081 ( 6.993 1.259 2.882) 7.668 ======================= Grid point 126 (55/93) ======================= q-point: (-0.25 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( -10.979 0.000 -0.532) 10.992 0.555 ( -13.317 0.000 4.681) 14.116 0.914 ( -2.798 0.000 -5.376) 6.060 1.021 ( 1.018 -0.000 -1.003) 1.430 1.033 ( -21.303 0.000 -14.908) 26.002 1.275 ( 2.073 -0.000 -2.200) 3.023 1.406 ( 8.048 -0.000 5.500) 9.748 1.724 ( 5.396 -0.000 3.813) 6.608 1.781 ( 0.196 -0.000 4.637) 4.641 1.831 ( -2.984 0.000 -2.828) 4.111 1.939 ( -6.287 0.000 -10.745) 12.450 2.011 ( 2.010 -0.000 -2.584) 3.274 2.064 ( -1.019 0.000 3.409) 3.558 2.267 ( 4.714 -0.000 3.223) 5.710 2.288 ( -1.995 0.000 0.327) 2.021 2.437 ( 8.328 -0.000 6.060) 10.300 2.517 ( 3.397 -0.000 8.781) 9.415 2.557 ( 3.723 -0.000 0.957) 3.844 2.720 ( 2.785 -0.000 4.088) 4.946 2.723 ( -3.285 0.000 -5.279) 6.217 3.009 ( -3.449 0.000 -3.015) 4.581 3.010 ( -3.023 0.000 -0.140) 3.026 3.110 ( -4.983 0.000 -3.671) 6.189 3.151 ( -5.415 0.000 0.466) 5.435 3.267 ( -3.685 0.000 2.280) 4.333 3.352 ( -1.661 0.000 0.152) 1.668 3.419 ( 1.986 -0.000 3.287) 3.841 3.445 ( -3.786 0.000 3.120) 4.906 3.508 ( 2.679 -0.000 2.564) 3.708 3.517 ( 2.211 -0.000 0.807) 2.353 3.765 ( -2.427 0.000 -4.287) 4.926 3.856 ( 1.083 -0.000 -0.796) 1.344 3.945 ( 5.721 -0.000 -1.797) 5.996 4.002 ( 3.606 -0.000 -1.022) 3.749 4.117 ( 2.343 -0.000 -0.904) 2.512 4.125 ( 3.078 -0.000 -0.436) 3.109 4.488 ( -3.257 0.000 -0.398) 3.281 4.557 ( -0.760 0.000 0.362) 0.842 4.800 ( -2.212 0.000 -3.912) 4.494 4.864 ( 2.282 -0.000 2.694) 3.530 5.180 ( -5.143 0.000 -5.651) 7.641 5.413 ( 3.998 -0.000 4.579) 6.079 5.819 ( -2.194 0.000 -2.251) 3.144 5.970 ( 3.140 -0.000 3.001) 4.344 6.527 ( -0.045 0.000 -0.337) 0.340 6.557 ( 1.076 -0.000 0.306) 1.118 6.821 ( -2.704 0.000 -3.496) 4.420 6.917 ( 1.422 -0.000 2.019) 2.470 7.370 ( -0.716 0.000 -0.836) 1.101 7.408 ( 0.653 -0.000 -0.108) 0.662 7.631 ( -0.738 0.000 -1.054) 1.287 7.667 ( 0.677 -0.000 0.743) 1.005 7.913 ( -0.200 0.000 -0.056) 0.208 7.918 ( -0.049 0.000 0.059) 0.077 16.322 ( -0.354 0.000 0.367) 0.510 16.390 ( 0.669 -0.000 -4.331) 4.382 17.125 ( -1.733 0.000 0.099) 1.736 17.210 ( 0.178 -0.000 0.015) 0.178 17.890 ( 0.316 -0.000 0.172) 0.360 17.927 ( 0.452 -0.000 -0.860) 0.971 19.020 ( -3.009 0.000 -0.885) 3.137 19.065 ( 0.186 -0.000 1.597) 1.607 19.252 ( -3.791 0.000 -1.801) 4.197 19.327 ( 0.364 -0.000 5.478) 5.490 19.749 ( -1.937 0.000 -3.656) 4.138 20.101 ( 8.303 -0.000 2.810) 8.765 ======================= Grid point 127 (56/93) ======================= q-point: (-0.12 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( -8.418 -10.495 -2.105) 13.618 0.531 ( -13.202 -7.688 8.857) 17.659 0.763 ( -25.038 -3.849 -13.572) 28.738 0.871 ( -3.246 -0.274 -3.904) 5.085 1.080 ( 4.207 -1.572 0.295) 4.501 1.302 ( 4.585 -0.445 -0.721) 4.663 1.472 ( 4.431 1.492 2.836) 5.468 1.693 ( -0.975 2.998 -2.957) 4.323 1.729 ( -1.228 3.880 -0.669) 4.125 1.779 ( 0.755 5.840 -1.381) 6.049 1.862 ( -0.604 1.448 -1.681) 2.300 2.022 ( 3.408 1.290 -3.671) 5.172 2.058 ( 0.088 0.625 0.618) 0.883 2.268 ( -2.921 -2.191 -0.019) 3.652 2.335 ( 0.888 -0.927 3.406) 3.639 2.491 ( 4.211 2.668 4.816) 6.932 2.584 ( 1.928 -1.008 -0.994) 2.391 2.601 ( 6.022 1.730 2.408) 6.712 2.662 ( -2.545 -0.026 -1.601) 3.007 2.785 ( 2.248 -0.165 8.954) 9.233 2.906 ( -3.943 0.784 -0.179) 4.024 3.063 ( 0.273 -1.456 1.678) 2.238 3.124 ( -4.132 -3.521 -3.042) 6.223 3.160 ( -3.886 -7.692 -2.152) 8.882 3.252 ( -3.022 -1.024 2.170) 3.859 3.313 ( -0.847 1.605 0.211) 1.827 3.436 ( -2.550 -0.696 1.277) 2.936 3.463 ( 2.525 -0.214 1.155) 2.785 3.509 ( 1.708 1.779 1.864) 3.091 3.556 ( 1.415 -0.706 1.994) 2.545 3.712 ( -2.866 0.664 -4.954) 5.762 3.858 ( 1.476 0.861 1.218) 2.099 3.933 ( 1.917 3.210 -2.909) 4.737 4.078 ( 6.245 0.917 1.093) 6.405 4.108 ( 3.572 -3.837 -0.742) 5.294 4.188 ( 1.737 -2.122 0.254) 2.754 4.452 ( -2.899 0.678 0.335) 2.996 4.568 ( -0.318 -1.142 0.443) 1.266 4.749 ( -2.478 1.233 -4.073) 4.924 4.902 ( 1.355 -1.342 1.371) 2.349 5.130 ( -3.089 -0.588 -3.628) 4.801 5.455 ( 2.480 0.190 2.774) 3.725 5.796 ( -1.239 0.093 -1.135) 1.683 6.002 ( 2.123 0.164 2.039) 2.949 6.529 ( 0.039 -0.343 -0.103) 0.360 6.570 ( 1.076 -0.192 0.541) 1.220 6.778 ( -2.796 0.336 -3.248) 4.299 6.932 ( 0.778 0.172 1.149) 1.398 7.362 ( -0.443 0.112 -0.407) 0.612 7.410 ( 0.263 0.095 0.203) 0.346 7.620 ( -0.441 0.207 -0.640) 0.805 7.672 ( 0.405 0.173 0.447) 0.628 7.910 ( -0.147 0.114 -0.024) 0.187 7.917 ( -0.061 0.154 0.023) 0.168 16.327 ( -0.339 -0.665 0.465) 0.880 16.363 ( -0.940 0.123 -3.962) 4.074 17.098 ( -1.408 1.631 0.497) 2.211 17.196 ( 0.170 1.677 -0.178) 1.695 17.889 ( -0.476 -0.119 -0.112) 0.504 17.933 ( 0.425 -0.568 -1.002) 1.227 18.994 ( -2.470 -0.007 -0.399) 2.502 19.076 ( 0.779 -0.049 1.717) 1.886 19.204 ( -3.013 0.793 -1.945) 3.673 19.349 ( -0.267 1.299 5.022) 5.194 19.735 ( -0.661 -1.130 -1.866) 2.280 20.167 ( 6.484 0.754 1.253) 6.647 ======================= Grid point 135 (57/93) ======================= q-point: (-0.12 -0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.217 ( -9.858 0.000 6.169) 11.629 0.359 ( -20.434 0.000 2.247) 20.557 0.456 ( -23.768 0.000 4.230) 24.141 0.853 ( 0.098 -0.000 -0.837) 0.843 1.093 ( 2.201 -0.000 -1.171) 2.493 1.340 ( 5.573 -0.000 0.142) 5.575 1.532 ( 3.443 -0.000 0.534) 3.484 1.648 ( -4.453 0.000 -5.650) 7.194 1.733 ( -0.145 0.000 -3.799) 3.802 1.870 ( 1.346 -0.000 1.159) 1.777 1.939 ( 3.825 -0.000 -1.173) 4.001 2.051 ( 6.113 -0.000 -4.456) 7.564 2.081 ( -0.166 0.000 2.823) 2.828 2.196 ( -4.802 0.000 -5.245) 7.112 2.289 ( -1.748 0.000 -0.920) 1.976 2.537 ( -2.053 0.000 1.961) 2.839 2.609 ( -5.164 0.000 -2.752) 5.851 2.673 ( 6.720 -0.000 8.011) 10.456 2.684 ( 6.858 -0.000 -0.944) 6.922 2.818 ( -1.294 0.000 7.990) 8.094 2.947 ( -2.769 0.000 -0.481) 2.810 2.961 ( -3.315 0.000 -1.707) 3.729 3.033 ( -6.667 0.000 -0.739) 6.708 3.038 ( -0.776 0.000 -0.276) 0.824 3.238 ( -2.172 0.000 1.530) 2.656 3.317 ( -1.814 0.000 -1.823) 2.572 3.421 ( -1.755 0.000 -0.118) 1.759 3.472 ( 1.504 -0.000 -2.938) 3.301 3.548 ( 0.911 -0.000 1.037) 1.381 3.574 ( 0.741 -0.000 0.002) 0.741 3.690 ( 0.543 -0.000 0.685) 0.874 3.917 ( 5.955 -0.000 6.338) 8.696 3.980 ( 3.488 -0.000 -2.705) 4.414 4.049 ( 2.092 -0.000 0.584) 2.172 4.151 ( 1.536 -0.000 3.448) 3.775 4.174 ( 2.488 -0.000 0.767) 2.604 4.442 ( -2.351 0.000 1.416) 2.744 4.552 ( -0.696 0.000 0.245) 0.737 4.730 ( -0.774 0.000 -2.474) 2.592 4.899 ( 0.393 -0.000 0.071) 0.399 5.097 ( -0.805 0.000 -1.070) 1.339 5.479 ( 0.723 -0.000 0.717) 1.018 5.787 ( -0.425 0.000 -0.007) 0.425 6.022 ( 1.022 -0.000 0.923) 1.377 6.527 ( 0.129 -0.000 0.124) 0.179 6.579 ( 0.811 -0.000 0.529) 0.968 6.746 ( -1.953 0.000 -2.104) 2.871 6.940 ( 0.074 -0.000 0.237) 0.248 7.360 ( -0.100 0.000 0.145) 0.176 7.419 ( 1.226 -0.000 2.132) 2.460 7.618 ( -0.051 0.000 -0.123) 0.133 7.677 ( 0.108 -0.000 0.099) 0.146 7.910 ( -0.098 0.000 0.006) 0.098 7.918 ( -0.069 0.000 -0.011) 0.070 16.321 ( -0.253 0.000 0.803) 0.842 16.338 ( -0.193 0.000 -0.906) 0.926 17.106 ( -1.112 0.000 0.707) 1.318 17.210 ( -0.027 0.000 -0.382) 0.383 17.879 ( -1.211 0.000 -0.969) 1.551 17.928 ( 0.577 -0.000 -0.740) 0.939 18.974 ( -1.879 0.000 0.077) 1.880 19.087 ( 0.366 -0.000 1.403) 1.449 19.179 ( -2.719 0.000 -1.518) 3.114 19.408 ( 1.924 -0.000 2.653) 3.277 19.724 ( 1.013 -0.000 1.098) 1.494 20.215 ( 3.986 -0.000 -0.731) 4.052 ======================= Grid point 136 (58/93) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 1.793 -0.000 12.271) 12.401 0.564 ( 0.137 -0.000 7.830) 7.832 0.809 ( 5.475 -0.000 -4.365) 7.002 0.869 ( -2.791 0.000 -5.516) 6.182 1.146 ( 7.638 -0.000 18.451) 19.969 1.336 ( -0.305 0.000 -1.382) 1.415 1.516 ( -5.000 0.000 -1.635) 5.261 1.584 ( 0.049 -0.000 -7.202) 7.202 1.717 ( -4.717 0.000 -1.243) 4.878 1.725 ( 2.907 -0.000 -2.954) 4.144 2.032 ( 9.733 -0.000 11.222) 14.855 2.073 ( 9.823 -0.000 -0.179) 9.825 2.101 ( -8.523 0.000 -1.210) 8.609 2.154 ( -4.927 0.000 -2.465) 5.509 2.171 ( 7.006 -0.000 1.611) 7.189 2.344 ( -11.980 0.000 -12.890) 17.597 2.653 ( 1.422 -0.000 2.151) 2.578 2.687 ( -1.832 0.000 5.507) 5.804 2.702 ( -7.471 0.000 -3.044) 8.067 2.767 ( 4.673 -0.000 0.147) 4.676 2.848 ( -3.283 0.000 -0.921) 3.409 2.920 ( 1.393 -0.000 -5.275) 5.455 3.086 ( 2.385 -0.000 3.749) 4.443 3.112 ( 2.046 -0.000 1.449) 2.507 3.203 ( -2.127 0.000 0.811) 2.276 3.233 ( 1.772 -0.000 -0.317) 1.800 3.332 ( -1.772 0.000 1.529) 2.340 3.403 ( 1.252 -0.000 0.944) 1.568 3.452 ( -2.682 0.000 -3.558) 4.456 3.505 ( -0.167 0.000 -3.944) 3.947 3.888 ( 2.121 -0.000 3.805) 4.356 3.932 ( -0.885 0.000 -0.258) 0.922 4.027 ( 0.149 -0.000 -0.651) 0.667 4.053 ( -0.551 0.000 -1.961) 2.037 4.254 ( 0.169 -0.000 2.219) 2.225 4.285 ( -0.124 0.000 -0.798) 0.808 4.514 ( 0.536 -0.000 2.591) 2.646 4.538 ( -0.039 0.000 -0.056) 0.068 4.793 ( 3.607 -0.000 1.591) 3.943 4.832 ( -2.729 0.000 -2.528) 3.720 5.241 ( 5.776 -0.000 6.820) 8.937 5.368 ( -4.908 0.000 -5.905) 7.678 5.860 ( 2.428 -0.000 3.625) 4.363 5.936 ( -3.120 0.000 -4.131) 5.177 6.549 ( 0.507 -0.000 0.966) 1.091 6.567 ( -0.677 0.000 -0.877) 1.108 6.830 ( 3.164 -0.000 2.724) 4.176 6.883 ( -2.359 0.000 -2.623) 3.528 7.402 ( 0.789 -0.000 1.956) 2.109 7.440 ( -0.642 0.000 -1.948) 2.051 7.639 ( 0.754 -0.000 0.935) 1.201 7.657 ( -0.724 0.000 -0.929) 1.178 7.912 ( 0.056 -0.000 0.121) 0.133 7.914 ( -0.057 0.000 -0.129) 0.141 16.370 ( -0.525 0.000 2.602) 2.655 16.424 ( 1.717 -0.000 -2.895) 3.366 17.140 ( 0.345 -0.000 1.944) 1.975 17.176 ( -0.258 0.000 -1.708) 1.727 17.900 ( -0.211 0.000 0.796) 0.823 17.917 ( 0.683 -0.000 -0.862) 1.099 19.004 ( 1.402 -0.000 2.036) 2.472 19.043 ( -2.092 0.000 -1.935) 2.850 19.194 ( 2.576 -0.000 1.651) 3.060 19.232 ( -3.494 0.000 -2.347) 4.210 19.932 ( 2.815 -0.000 8.377) 8.838 20.089 ( -2.786 0.000 -7.657) 8.148 ======================= Grid point 137 (59/93) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 5.273 -3.508 12.839) 14.316 0.626 ( 0.874 -4.356 -3.235) 5.496 0.803 ( -3.852 -0.555 -8.930) 9.741 0.845 ( 5.369 -0.483 -0.113) 5.392 1.301 ( 2.784 -1.467 5.672) 6.486 1.317 ( -2.205 -1.319 -5.163) 5.767 1.447 ( -1.065 3.085 5.785) 6.642 1.503 ( -0.374 4.090 -3.723) 5.543 1.692 ( -3.028 -1.058 -0.014) 3.207 1.748 ( 2.637 0.594 -1.145) 2.935 1.972 ( -9.605 2.054 -2.624) 10.167 2.098 ( -5.165 2.819 -7.207) 9.304 2.119 ( 3.143 0.720 -1.407) 3.518 2.168 ( 3.528 -2.461 2.545) 4.998 2.241 ( 1.282 -3.865 4.979) 6.432 2.305 ( 3.900 -5.107 1.022) 6.507 2.605 ( -3.512 2.700 1.297) 4.616 2.654 ( -5.844 -0.013 1.483) 6.029 2.719 ( 7.781 5.785 1.645) 9.834 2.775 ( 5.143 2.684 0.145) 5.803 2.855 ( 1.114 -3.204 4.010) 5.252 2.928 ( 3.293 -2.580 -5.417) 6.845 3.124 ( -0.684 1.043 0.014) 1.247 3.128 ( -0.038 -0.706 -0.918) 1.159 3.198 ( 0.860 -0.637 2.643) 2.852 3.230 ( 0.619 0.602 -3.300) 3.411 3.340 ( -1.267 -0.854 2.071) 2.574 3.395 ( 2.395 -0.148 -2.298) 3.322 3.491 ( 0.159 -4.808 5.027) 6.958 3.530 ( -0.537 -3.966 -3.764) 5.494 3.890 ( -1.093 1.699 2.242) 3.018 3.905 ( -1.956 1.160 -1.995) 3.025 4.028 ( -0.169 -0.098 2.727) 2.734 4.044 ( -1.838 -0.570 -3.472) 3.970 4.233 ( -2.301 2.532 1.478) 3.727 4.258 ( -0.502 1.508 -0.534) 1.677 4.532 ( 1.220 -0.178 2.248) 2.564 4.540 ( 0.154 -0.187 -1.310) 1.333 4.797 ( -3.772 -0.500 -3.084) 4.898 4.828 ( 2.829 -0.310 1.817) 3.376 5.291 ( -5.758 0.064 -6.659) 8.804 5.320 ( 5.406 0.027 6.357) 8.345 5.890 ( -2.751 0.285 -3.797) 4.697 5.899 ( 3.017 0.217 4.121) 5.112 6.558 ( -0.658 -0.099 -0.811) 1.049 6.559 ( 0.496 -0.104 1.007) 1.128 6.847 ( -2.705 0.067 -3.109) 4.122 6.865 ( 2.769 0.169 2.575) 3.786 7.412 ( 0.585 0.469 1.739) 1.894 7.416 ( -1.064 0.673 -1.717) 2.129 7.645 ( -0.735 0.221 -0.875) 1.164 7.649 ( 0.799 0.157 0.842) 1.172 7.912 ( 0.091 0.124 0.117) 0.193 7.912 ( -0.009 0.118 -0.120) 0.169 16.374 ( -1.194 0.034 1.865) 2.215 16.410 ( 0.335 0.617 -2.589) 2.682 17.135 ( 0.296 1.876 1.766) 2.594 17.152 ( 0.265 1.584 -1.673) 2.319 17.903 ( -0.745 -0.390 0.689) 1.087 17.922 ( 0.545 -0.560 -1.012) 1.279 19.018 ( -0.960 0.314 -1.371) 1.702 19.028 ( 2.260 0.175 1.906) 2.961 19.205 ( -1.942 -0.465 -1.885) 2.746 19.231 ( 3.513 -0.427 2.108) 4.119 19.987 ( 1.439 0.397 7.579) 7.725 20.016 ( -4.026 0.572 -7.342) 8.393 ======================= Grid point 138 (60/93) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 0.716 -4.688 -5.227) 7.058 0.719 ( -2.138 -3.265 -1.402) 4.147 0.815 ( 5.550 -5.532 -0.715) 7.869 0.900 ( 3.846 -1.436 -0.323) 4.118 1.264 ( -7.699 0.267 -3.150) 8.323 1.298 ( -1.463 -0.683 -2.742) 3.182 1.435 ( 3.357 3.352 2.278) 5.262 1.471 ( -0.016 0.958 3.912) 4.027 1.691 ( -1.017 1.461 0.716) 1.919 1.712 ( -1.013 2.631 -0.554) 2.873 1.883 ( -7.682 -1.193 -3.382) 8.478 1.919 ( -9.794 0.261 -10.022) 14.016 2.132 ( 3.438 2.220 0.436) 4.115 2.254 ( 0.383 -2.824 0.166) 2.855 2.372 ( 6.584 -1.675 7.790) 10.336 2.440 ( 1.393 -6.790 1.723) 7.143 2.511 ( 0.523 5.330 -1.108) 5.469 2.595 ( 1.159 5.590 4.311) 7.154 2.678 ( 5.308 3.529 1.681) 6.592 2.829 ( 9.209 1.602 3.587) 10.012 2.922 ( -0.565 -1.750 4.003) 4.406 3.009 ( -1.924 -4.607 -7.171) 8.738 3.051 ( 0.921 1.281 -4.055) 4.351 3.124 ( 0.764 2.025 7.745) 8.041 3.202 ( -0.032 -2.982 -1.402) 3.295 3.275 ( 3.052 -0.608 0.399) 3.138 3.381 ( 0.220 -3.127 0.935) 3.271 3.423 ( 1.559 -1.423 -1.438) 2.553 3.596 ( 0.379 -5.532 -2.074) 5.920 3.599 ( 0.288 -3.666 2.461) 4.425 3.837 ( -3.489 1.439 -3.421) 5.093 3.859 ( -2.162 2.487 2.740) 4.286 3.983 ( -3.549 2.951 -5.033) 6.829 4.043 ( -0.289 0.526 4.695) 4.733 4.165 ( -3.329 2.299 0.088) 4.046 4.235 ( 0.475 0.570 -0.176) 0.762 4.525 ( -0.249 0.617 -2.370) 2.461 4.563 ( 1.942 -0.255 2.368) 3.073 4.754 ( -4.839 -0.630 -4.475) 6.621 4.873 ( 2.343 -1.220 2.534) 3.661 5.217 ( -5.117 -0.295 -5.957) 7.859 5.384 ( 4.189 0.167 4.924) 6.466 5.846 ( -2.204 0.458 -3.145) 3.868 5.939 ( 3.120 0.265 3.957) 5.046 6.553 ( -0.494 -0.193 -0.608) 0.806 6.570 ( 0.508 -0.073 0.956) 1.085 6.809 ( -2.688 -0.029 -3.246) 4.215 6.894 ( 2.172 0.152 2.170) 3.074 7.388 ( -0.954 0.657 -1.282) 1.728 7.413 ( 0.442 0.604 1.102) 1.332 7.629 ( -0.780 0.323 -0.891) 1.228 7.656 ( 0.777 0.234 0.818) 1.152 7.909 ( 0.024 0.152 -0.094) 0.180 7.910 ( 0.096 0.187 0.095) 0.231 16.370 ( -1.322 -0.187 0.504) 1.427 16.393 ( 0.001 0.258 -1.673) 1.693 17.097 ( -0.192 2.656 0.100) 2.665 17.119 ( 1.033 2.249 0.016) 2.475 17.909 ( -0.929 -0.683 0.706) 1.352 17.934 ( 0.475 -0.783 -1.099) 1.430 19.002 ( -0.214 0.169 -1.010) 1.046 19.054 ( 2.850 0.575 2.257) 3.681 19.191 ( -1.533 -0.488 -2.293) 2.801 19.281 ( 3.658 -0.514 2.362) 4.385 19.924 ( -5.156 0.882 -6.361) 8.235 20.029 ( 1.157 0.519 6.138) 6.267 ======================= Grid point 140 (61/93) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -3.829 -2.013 -6.505) 7.812 0.788 ( -1.365 -4.721 -4.603) 6.733 0.891 ( 4.895 -1.838 -4.617) 6.975 1.018 ( 3.166 -5.179 3.215) 6.869 1.182 ( -8.170 0.633 1.147) 8.274 1.296 ( 0.486 -0.007 -0.179) 0.518 1.413 ( 2.186 2.930 1.522) 3.960 1.482 ( -1.386 -2.494 0.410) 2.883 1.596 ( -3.509 3.599 -3.190) 5.954 1.666 ( -1.109 2.331 -0.088) 2.583 1.819 ( -5.804 -0.306 -0.464) 5.831 1.910 ( -0.396 -4.074 -2.995) 5.072 2.105 ( -0.940 1.725 0.044) 1.965 2.231 ( 0.626 4.656 -2.620) 5.379 2.396 ( -0.594 0.425 -0.626) 0.962 2.492 ( 2.598 2.120 -3.612) 4.928 2.559 ( 4.907 0.187 5.315) 7.236 2.585 ( 3.204 -2.695 5.457) 6.878 2.689 ( 4.584 1.434 3.221) 5.783 2.846 ( -0.175 1.464 -1.475) 2.085 2.931 ( 0.474 2.862 5.099) 5.867 2.963 ( 2.710 0.991 0.316) 2.903 3.115 ( 3.059 -2.436 -1.322) 4.128 3.205 ( -0.183 -5.471 5.600) 7.831 3.267 ( 3.091 -3.016 1.191) 4.480 3.302 ( 0.922 -0.965 0.159) 1.345 3.433 ( 0.131 -1.592 -0.664) 1.730 3.448 ( -0.532 -1.824 -1.142) 2.216 3.639 ( -2.348 -1.749 -1.899) 3.490 3.679 ( 2.071 -2.614 -0.732) 3.414 3.759 ( -3.874 2.202 -3.058) 5.404 3.811 ( -2.165 1.799 1.443) 3.164 3.856 ( -2.855 5.127 -3.569) 6.868 4.047 ( 0.497 1.701 5.651) 5.922 4.125 ( -1.619 -0.776 -1.485) 2.330 4.238 ( 0.257 -0.299 -0.195) 0.440 4.497 ( -0.402 1.006 -1.904) 2.191 4.591 ( 2.036 0.177 2.198) 3.001 4.703 ( -4.881 -0.799 -5.028) 7.053 4.925 ( 1.603 -1.277 2.172) 2.986 5.165 ( -3.460 -0.427 -4.176) 5.440 5.428 ( 2.722 0.160 3.237) 4.233 5.810 ( -1.556 0.440 -2.161) 2.699 5.976 ( 2.563 0.107 3.045) 3.982 6.551 ( -0.278 -0.131 -0.336) 0.455 6.579 ( 0.545 0.033 0.827) 0.991 6.776 ( -2.245 -0.168 -2.735) 3.543 6.915 ( 1.417 0.066 1.480) 2.049 7.367 ( -0.650 0.410 -0.840) 1.138 7.411 ( 0.376 0.379 0.612) 0.812 7.614 ( -0.623 0.242 -0.687) 0.959 7.661 ( 0.567 0.159 0.598) 0.839 7.907 ( 0.030 0.088 -0.052) 0.106 7.908 ( 0.056 0.149 0.052) 0.167 16.367 ( -0.797 -0.404 -0.140) 0.905 16.384 ( -0.049 0.105 -0.921) 0.928 17.053 ( -0.232 1.925 0.011) 1.939 17.092 ( 0.876 1.593 0.177) 1.827 17.918 ( -0.717 -0.612 0.747) 1.203 17.944 ( 0.367 -0.497 -1.056) 1.224 19.001 ( 0.276 -0.262 -0.141) 0.406 19.074 ( 2.608 0.888 2.186) 3.518 19.172 ( -1.828 -0.322 -2.833) 3.387 19.325 ( 2.549 -0.266 1.889) 3.183 19.847 ( -4.128 0.534 -4.274) 5.966 20.053 ( 0.996 0.387 3.888) 4.032 ======================= Grid point 141 (62/93) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( -5.363 -0.345 -4.826) 7.223 0.792 ( -1.577 -0.635 -3.001) 3.449 0.917 ( -2.366 2.107 -2.262) 3.893 1.085 ( 0.044 -1.773 1.486) 2.314 1.169 ( 0.350 -2.811 -1.657) 3.282 1.296 ( 0.795 1.958 1.926) 2.859 1.394 ( 0.332 0.657 0.603) 0.952 1.528 ( -1.947 -2.726 -0.336) 3.366 1.532 ( 1.238 0.327 -1.260) 1.796 1.624 ( -0.635 1.177 0.631) 1.479 1.786 ( -2.063 0.392 1.259) 2.448 1.952 ( -1.122 -0.270 -0.422) 1.228 2.092 ( 1.615 -0.389 -0.960) 1.919 2.157 ( -0.036 0.137 -1.707) 1.713 2.390 ( 2.480 1.363 0.883) 2.965 2.443 ( -0.031 1.075 -4.563) 4.688 2.605 ( 1.100 1.814 3.737) 4.298 2.626 ( -0.547 -1.127 -1.332) 1.828 2.724 ( 3.462 0.832 4.342) 5.615 2.845 ( -1.754 -1.907 -1.504) 2.995 2.916 ( 1.811 0.661 4.357) 4.764 2.980 ( 2.113 1.414 3.060) 3.978 3.167 ( 1.210 -2.605 -3.142) 4.257 3.274 ( -0.867 -0.732 2.596) 2.833 3.322 ( -1.304 -1.035 -2.113) 2.690 3.379 ( 4.958 -3.013 3.357) 6.704 3.421 ( -2.579 0.620 -0.683) 2.739 3.463 ( -0.317 -0.277 -1.190) 1.262 3.628 ( -2.845 2.707 0.047) 3.928 3.638 ( -1.988 0.510 -2.475) 3.215 3.728 ( -0.545 0.947 0.711) 1.304 3.763 ( -0.600 1.138 -0.676) 1.453 3.791 ( 0.369 -0.405 -0.275) 0.613 4.058 ( 2.540 1.091 4.267) 5.084 4.137 ( 0.258 -1.750 -2.821) 3.329 4.241 ( -0.230 -0.034 -0.169) 0.288 4.471 ( -0.525 0.644 -0.508) 0.974 4.611 ( 1.890 0.476 1.820) 2.667 4.660 ( -3.584 -0.723 -3.756) 5.242 4.957 ( 0.709 -0.297 0.929) 1.206 5.134 ( -1.595 -0.003 -2.011) 2.567 5.455 ( 1.257 -0.059 1.424) 1.900 5.788 ( -0.732 0.171 -0.889) 1.164 6.003 ( 1.331 -0.056 1.459) 1.976 6.549 ( -0.086 0.079 -0.080) 0.141 6.585 ( 0.477 0.104 0.554) 0.738 6.754 ( -1.351 -0.124 -1.550) 2.060 6.928 ( 0.579 -0.046 0.641) 0.865 7.356 ( -0.288 0.108 -0.318) 0.443 7.412 ( 0.214 0.094 0.343) 0.415 7.605 ( -0.283 0.011 -0.338) 0.441 7.665 ( 0.259 -0.009 0.276) 0.378 7.906 ( -0.014 0.033 0.015) 0.039 7.907 ( 0.014 -0.035 -0.016) 0.041 16.367 ( -0.269 -0.063 -0.156) 0.317 16.377 ( -0.087 0.347 -0.224) 0.422 17.032 ( -0.461 0.194 0.376) 0.626 17.084 ( 0.508 -0.173 -0.211) 0.576 17.924 ( -0.384 -0.168 0.792) 0.896 17.945 ( 0.241 0.145 -0.966) 1.006 19.007 ( -0.112 -0.099 0.147) 0.210 19.090 ( 2.113 0.439 2.102) 3.013 19.148 ( -2.101 -0.319 -2.712) 3.445 19.347 ( 0.502 -0.054 1.049) 1.164 19.800 ( -1.612 0.541 -1.501) 2.268 20.075 ( 1.421 -0.532 1.251) 1.966 ======================= Grid point 142 (63/93) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( -5.006 1.849 1.686) 5.597 0.753 ( -2.341 6.640 -1.076) 7.123 0.807 ( -4.624 0.620 2.754) 5.418 1.090 ( 0.119 2.044 -2.278) 3.063 1.204 ( 3.047 5.217 0.290) 6.049 1.271 ( 1.988 -1.953 1.344) 3.094 1.412 ( -0.982 -1.916 0.585) 2.231 1.515 ( 1.979 0.289 -3.442) 3.981 1.569 ( -0.980 -2.928 -1.450) 3.411 1.654 ( 1.692 -2.593 2.562) 4.018 1.793 ( 0.683 -0.649 2.311) 2.496 1.918 ( -0.454 1.160 -2.135) 2.472 2.086 ( 1.827 0.991 0.606) 2.165 2.229 ( 0.169 -5.347 -1.804) 5.646 2.409 ( 0.744 1.581 -1.940) 2.611 2.421 ( 1.248 -2.712 3.421) 4.540 2.556 ( -1.627 3.080 0.814) 3.577 2.648 ( -0.649 -1.103 -0.373) 1.333 2.751 ( 2.777 0.599 3.065) 4.179 2.823 ( -4.399 -0.593 -1.641) 4.732 2.961 ( -0.849 1.183 0.562) 1.561 2.983 ( -0.701 -3.272 0.120) 3.348 3.170 ( -3.887 -0.519 -6.195) 7.332 3.256 ( -0.828 3.704 -0.674) 3.855 3.293 ( -1.462 0.042 0.922) 1.729 3.359 ( -1.762 1.674 -4.944) 5.509 3.428 ( 0.214 1.552 -1.333) 2.057 3.443 ( 0.867 2.643 -0.763) 2.884 3.573 ( 1.652 0.903 4.420) 4.804 3.646 ( -3.106 1.001 2.515) 4.120 3.697 ( 0.822 0.315 2.591) 2.736 3.800 ( 2.358 -3.110 1.419) 4.153 3.828 ( 1.526 -2.656 0.567) 3.115 4.087 ( 3.801 0.372 2.316) 4.466 4.153 ( 1.618 -1.115 -4.695) 5.090 4.233 ( -0.471 0.555 0.136) 0.741 4.463 ( -0.631 -0.018 1.366) 1.505 4.615 ( -0.134 1.131 0.566) 1.272 4.647 ( 0.493 -1.090 -0.533) 1.310 4.954 ( -0.211 0.940 -0.664) 1.170 5.120 ( 0.343 0.535 0.359) 0.730 5.465 ( -0.241 -0.302 -0.466) 0.605 5.785 ( 0.164 -0.174 0.467) 0.524 6.012 ( -0.265 -0.164 -0.490) 0.581 6.546 ( 0.083 0.294 0.171) 0.350 6.587 ( 0.149 0.083 0.067) 0.183 6.745 ( 0.038 0.069 0.176) 0.193 6.932 ( -0.265 -0.143 -0.258) 0.396 7.356 ( 0.095 -0.169 0.288) 0.348 7.415 ( 0.044 -0.198 0.217) 0.297 7.606 ( 0.130 -0.223 0.095) 0.275 7.668 ( -0.084 -0.170 -0.099) 0.214 7.906 ( -0.053 -0.064 0.039) 0.091 7.909 ( -0.033 -0.176 -0.042) 0.184 16.363 ( 0.388 0.458 0.142) 0.617 16.368 ( -0.132 0.595 0.598) 0.854 17.042 ( -0.730 -1.533 0.824) 1.887 17.104 ( 0.125 -1.914 -0.742) 2.056 17.923 ( -0.303 0.484 0.937) 1.098 17.935 ( 0.390 0.633 -0.942) 1.200 18.999 ( -0.847 0.438 0.041) 0.955 19.116 ( 1.062 -0.872 0.885) 1.634 19.125 ( -1.542 0.099 -1.046) 1.866 19.346 ( -1.773 -0.151 -0.040) 1.780 19.787 ( 1.285 0.778 1.610) 2.202 20.106 ( 1.679 -1.535 -1.506) 2.728 ======================= Grid point 143 (64/93) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( -1.558 4.272 9.686) 10.700 0.572 ( -4.700 8.205 5.080) 10.734 0.827 ( 0.547 -0.702 3.613) 3.721 0.974 ( -3.791 6.264 -3.572) 8.146 1.137 ( 2.136 5.726 5.669) 8.336 1.325 ( 3.142 -0.764 -2.531) 4.106 1.439 ( -0.483 -2.295 0.235) 2.357 1.542 ( 2.046 -2.723 -4.040) 5.284 1.631 ( 3.288 -3.211 3.355) 5.690 1.732 ( 1.315 -3.560 -0.496) 3.827 1.818 ( 0.864 -0.302 1.161) 1.479 1.907 ( 4.344 -0.229 -4.254) 6.084 2.109 ( -0.218 -1.374 2.642) 2.986 2.272 ( -1.746 -0.388 -1.890) 2.602 2.361 ( 1.264 4.601 2.371) 5.328 2.505 ( -1.013 0.375 -1.568) 1.904 2.518 ( -0.288 -3.987 -0.082) 3.998 2.649 ( -3.210 -2.509 -0.038) 4.074 2.760 ( -8.079 -3.837 -3.209) 9.502 2.829 ( 5.932 2.312 6.916) 9.400 2.908 ( -5.737 -0.062 -4.220) 7.122 2.996 ( -4.481 -0.875 -2.806) 5.359 3.078 ( -3.354 3.787 -4.909) 7.049 3.183 ( 0.406 2.646 0.118) 2.680 3.263 ( -1.691 1.839 -3.039) 3.934 3.316 ( -0.444 0.568 -5.850) 5.895 3.379 ( -1.063 2.687 -0.462) 2.926 3.399 ( -0.128 0.405 1.356) 1.421 3.564 ( -4.029 4.558 0.882) 6.147 3.602 ( 2.155 0.878 1.969) 3.048 3.754 ( 3.485 -1.340 5.047) 6.278 3.892 ( 0.430 -2.782 1.949) 3.424 3.903 ( 4.631 -3.520 1.266) 5.953 4.116 ( 2.294 0.799 -1.214) 2.716 4.170 ( 4.202 -1.435 -2.145) 4.931 4.223 ( -0.860 0.001 0.890) 1.238 4.472 ( -0.574 -0.339 2.853) 2.930 4.587 ( -1.141 1.276 -0.212) 1.725 4.690 ( 3.531 -1.148 1.790) 4.122 4.918 ( -1.104 1.561 -1.943) 2.726 5.128 ( 2.584 0.614 2.951) 3.970 5.455 ( -1.860 -0.310 -2.382) 3.038 5.799 ( 0.942 -0.317 1.704) 1.972 6.001 ( -1.668 -0.324 -2.227) 2.801 6.542 ( 0.254 0.354 0.449) 0.625 6.584 ( -0.326 0.067 -0.462) 0.569 6.756 ( 1.728 0.065 2.005) 2.648 6.926 ( -1.065 -0.172 -1.155) 1.581 7.366 ( 0.475 -0.347 0.950) 1.117 7.424 ( 0.132 -0.671 0.101) 0.691 7.615 ( 0.448 -0.319 0.496) 0.741 7.668 ( -0.387 -0.236 -0.457) 0.644 7.907 ( -0.046 -0.132 0.066) 0.155 7.912 ( -0.073 -0.210 -0.073) 0.234 16.361 ( -0.081 0.562 1.402) 1.513 16.367 ( 1.813 0.064 0.836) 1.997 17.076 ( -0.780 -2.245 1.304) 2.710 17.140 ( -0.158 -2.514 -1.227) 2.802 17.911 ( -0.419 0.940 1.094) 1.502 17.925 ( 0.838 0.616 -0.821) 1.325 18.986 ( -0.762 0.269 0.552) 0.978 19.100 ( -2.682 -0.352 -2.156) 3.459 19.148 ( 1.745 -0.265 1.830) 2.542 19.324 ( -3.670 -0.327 -1.720) 4.066 19.811 ( 3.252 0.444 4.889) 5.888 20.133 ( 0.964 -1.620 -4.278) 4.675 ======================= Grid point 144 (65/93) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( -2.774 4.279 11.101) 12.217 0.548 ( 2.791 4.013 14.047) 14.873 0.808 ( 0.086 2.459 -1.982) 3.159 0.890 ( -0.192 -0.206 -1.242) 1.274 1.089 ( 2.267 5.372 10.984) 12.435 1.335 ( 1.079 -0.238 -1.763) 2.081 1.497 ( -0.738 -4.257 -0.497) 4.349 1.577 ( 2.093 -1.498 -3.851) 4.632 1.731 ( 1.488 -2.093 0.808) 2.692 1.750 ( -3.554 -1.004 -4.906) 6.141 1.879 ( 7.804 -1.830 7.475) 10.960 1.970 ( 9.205 -2.343 -2.601) 9.849 2.128 ( -2.845 -1.188 0.111) 3.085 2.194 ( -1.759 4.565 -1.415) 5.093 2.278 ( -2.656 5.602 0.338) 6.209 2.468 ( -5.425 0.157 -7.910) 9.593 2.576 ( 2.905 -3.207 2.119) 4.819 2.684 ( -5.765 -3.411 0.723) 6.738 2.760 ( 0.168 -0.099 -1.960) 1.969 2.815 ( -7.903 1.003 -3.584) 8.735 2.839 ( -5.992 -1.859 1.897) 6.555 2.960 ( -0.158 2.919 -5.504) 6.232 3.030 ( 2.637 -2.347 4.752) 5.920 3.131 ( 2.210 5.041 1.194) 5.632 3.204 ( -2.743 0.838 -1.344) 3.167 3.280 ( -0.833 1.369 -3.224) 3.600 3.330 ( -0.713 0.067 -0.492) 0.869 3.430 ( 0.688 -0.755 1.782) 2.054 3.455 ( -3.283 2.639 -2.407) 4.852 3.575 ( -0.224 3.013 -2.351) 3.828 3.831 ( 3.485 -1.210 4.650) 5.935 3.928 ( 0.310 -0.747 0.319) 0.869 3.997 ( 2.883 -2.287 0.406) 3.702 4.086 ( 0.650 1.903 -2.856) 3.493 4.229 ( 1.276 -0.630 1.738) 2.246 4.249 ( 1.880 -2.876 0.543) 3.479 4.492 ( -0.108 -0.480 3.356) 3.392 4.554 ( -0.825 1.224 -0.210) 1.490 4.748 ( 4.167 -0.579 1.972) 4.646 4.871 ( -1.864 1.047 -2.407) 3.219 5.170 ( 4.692 0.299 5.374) 7.141 5.423 ( -3.365 -0.239 -4.165) 5.359 5.826 ( 1.688 -0.233 2.793) 3.272 5.976 ( -2.710 -0.361 -3.592) 4.514 6.543 ( 0.416 0.209 0.742) 0.876 6.577 ( -0.555 0.043 -0.728) 0.917 6.789 ( 2.996 -0.163 2.836) 4.129 6.910 ( -1.782 -0.111 -1.966) 2.656 7.383 ( 0.755 -0.321 1.578) 1.778 7.440 ( 0.153 -0.961 -0.887) 1.317 7.628 ( 0.604 -0.215 0.770) 1.002 7.665 ( -0.602 -0.171 -0.745) 0.973 7.910 ( -0.002 -0.107 0.098) 0.145 7.914 ( -0.082 -0.137 -0.108) 0.193 16.362 ( -0.141 0.231 2.219) 2.235 16.401 ( 3.176 -1.012 -0.476) 3.367 17.115 ( -0.305 -1.649 1.789) 2.453 17.170 ( -0.291 -1.700 -1.529) 2.305 17.901 ( -0.125 0.538 1.182) 1.305 17.919 ( 0.911 0.446 -0.827) 1.309 18.987 ( 0.185 -0.096 1.460) 1.474 19.071 ( -2.697 -0.113 -2.081) 3.408 19.171 ( 1.790 0.128 1.488) 2.331 19.281 ( -4.581 0.008 -2.986) 5.468 19.866 ( 3.541 -0.064 7.307) 8.120 20.130 ( -0.768 -0.818 -6.453) 6.550 ======================= Grid point 146 (66/93) ======================= q-point: ( 0.12 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 4.574 -0.000 -7.588) 8.859 0.670 ( 9.425 -0.000 8.447) 12.657 0.717 ( -4.705 0.000 -8.756) 9.940 0.874 ( 2.047 -0.000 2.205) 3.008 1.229 ( -1.895 0.000 -12.996) 13.134 1.304 ( -3.676 0.000 0.278) 3.686 1.504 ( -2.122 0.000 4.920) 5.358 1.548 ( 0.312 -0.000 -0.046) 0.315 1.670 ( 2.175 -0.000 6.449) 6.806 1.769 ( 0.782 -0.000 -1.824) 1.985 1.930 ( -6.855 0.000 -1.033) 6.932 1.962 ( -12.848 0.000 -12.080) 17.635 2.069 ( -3.675 0.000 -0.367) 3.693 2.223 ( 5.242 -0.000 1.215) 5.381 2.253 ( 8.423 -0.000 0.316) 8.429 2.360 ( 2.845 -0.000 10.122) 10.514 2.601 ( -3.106 0.000 -0.762) 3.198 2.655 ( 1.243 -0.000 8.558) 8.647 2.833 ( 7.690 -0.000 2.076) 7.965 2.844 ( 7.214 -0.000 -4.419) 8.460 2.867 ( 2.016 -0.000 6.265) 6.581 2.960 ( 8.562 -0.000 -2.258) 8.855 3.089 ( -4.409 0.000 -4.185) 6.079 3.100 ( -0.211 0.000 -2.753) 2.761 3.210 ( 2.178 -0.000 3.619) 4.224 3.248 ( 1.161 -0.000 -2.841) 3.069 3.373 ( 0.888 -0.000 4.860) 4.941 3.376 ( -0.200 0.000 -3.042) 3.048 3.471 ( 1.510 -0.000 5.150) 5.367 3.475 ( 0.194 -0.000 -1.727) 1.738 3.861 ( -5.296 0.000 -3.510) 6.354 3.912 ( -2.371 0.000 1.813) 2.985 4.011 ( -2.131 0.000 -2.402) 3.211 4.031 ( -0.681 0.000 2.290) 2.389 4.245 ( -2.980 0.000 -1.427) 3.304 4.249 ( -2.870 0.000 1.217) 3.117 4.540 ( 1.238 -0.000 -1.444) 1.902 4.545 ( 1.216 -0.000 0.753) 1.430 4.746 ( -4.458 0.000 -2.643) 5.183 4.851 ( 1.835 -0.000 1.375) 2.293 5.212 ( -5.614 0.000 -6.508) 8.595 5.388 ( 4.287 -0.000 5.231) 6.763 5.856 ( -2.113 0.000 -3.193) 3.829 5.946 ( 2.962 -0.000 4.143) 5.093 6.548 ( -0.630 0.000 -0.783) 1.005 6.568 ( 0.520 -0.000 1.087) 1.205 6.810 ( -2.800 0.000 -3.263) 4.300 6.898 ( 2.247 -0.000 2.052) 3.043 7.404 ( -1.208 0.000 -1.781) 2.152 7.428 ( 0.115 -0.000 1.519) 1.524 7.636 ( -0.711 0.000 -0.885) 1.136 7.661 ( 0.770 -0.000 0.820) 1.125 7.913 ( 0.028 -0.000 -0.121) 0.125 7.914 ( 0.140 -0.000 0.124) 0.186 16.369 ( -2.227 0.000 1.304) 2.581 16.400 ( -0.339 0.000 -3.035) 3.054 17.160 ( 0.497 -0.000 -1.763) 1.831 17.167 ( 0.570 -0.000 1.696) 1.789 17.896 ( -1.014 0.000 0.584) 1.170 17.915 ( 0.352 -0.000 -1.153) 1.206 19.010 ( 0.047 -0.000 -1.338) 1.339 19.065 ( 3.218 -0.000 2.491) 4.070 19.182 ( -0.786 0.000 -1.716) 1.887 19.272 ( 4.330 -0.000 2.813) 5.164 19.942 ( -5.589 0.000 -7.797) 9.593 20.037 ( 0.219 -0.000 7.623) 7.626 ======================= Grid point 148 (67/93) ======================= q-point: ( 0.25 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 5.385 -2.651 -8.728) 10.593 0.651 ( 0.162 -0.621 -8.893) 8.916 0.823 ( 8.488 -2.774 8.871) 12.587 0.893 ( 0.174 -0.928 -1.131) 1.473 1.175 ( -1.621 -1.437 -10.871) 11.085 1.273 ( -3.425 -0.213 1.225) 3.644 1.460 ( -4.633 1.481 0.560) 4.896 1.532 ( 0.073 1.669 1.304) 2.119 1.697 ( -6.215 1.542 -4.671) 7.926 1.763 ( 1.851 -1.076 5.287) 5.704 1.802 ( -5.031 4.335 -0.990) 6.714 1.857 ( -2.722 2.191 -1.828) 3.944 2.116 ( -1.280 -4.231 -0.409) 4.439 2.261 ( 5.144 0.751 1.280) 5.354 2.337 ( 2.541 -4.222 -1.156) 5.061 2.418 ( -1.577 -1.612 5.812) 6.234 2.567 ( -0.882 1.654 0.422) 1.921 2.726 ( 5.851 1.022 5.472) 8.075 2.833 ( 6.538 4.196 2.005) 8.023 2.900 ( 4.734 0.943 -0.685) 4.875 2.930 ( 0.253 0.740 -1.708) 1.879 2.953 ( 4.589 0.171 1.405) 4.803 3.054 ( 2.848 2.072 0.031) 3.522 3.118 ( -0.533 -5.010 -2.353) 5.561 3.235 ( 1.882 2.911 3.273) 4.768 3.282 ( 3.096 -1.924 0.314) 3.659 3.337 ( 1.404 -1.342 0.648) 2.047 3.433 ( -0.064 1.550 -1.071) 1.885 3.488 ( 1.182 -5.972 1.023) 6.174 3.557 ( 1.045 -3.219 2.940) 4.484 3.795 ( -5.618 0.167 -3.791) 6.779 3.879 ( -4.290 1.336 1.837) 4.854 3.970 ( -2.597 1.059 -3.872) 4.781 4.043 ( -1.643 -0.952 2.513) 3.150 4.179 ( -4.585 2.651 -0.921) 5.375 4.232 ( -1.965 -0.240 -0.513) 2.045 4.531 ( 1.185 0.957 -2.128) 2.616 4.573 ( 1.796 -1.108 0.503) 2.170 4.697 ( -4.354 0.251 -2.219) 4.893 4.877 ( 1.202 -0.949 1.540) 2.171 5.148 ( -3.999 -0.352 -4.668) 6.157 5.436 ( 2.846 0.185 3.473) 4.493 5.826 ( -1.435 0.303 -2.391) 2.805 5.983 ( 2.187 0.187 3.176) 3.861 6.542 ( -0.453 -0.218 -0.602) 0.784 6.577 ( 0.443 -0.060 0.879) 0.986 6.774 ( -2.243 0.008 -2.807) 3.593 6.921 ( 1.581 0.157 1.483) 2.173 7.384 ( -0.901 0.367 -1.311) 1.632 7.428 ( -0.136 0.428 0.722) 0.851 7.625 ( -0.612 0.244 -0.693) 0.956 7.668 ( 0.576 0.166 0.592) 0.843 7.911 ( 0.069 0.114 -0.095) 0.164 7.915 ( 0.142 0.150 0.100) 0.230 16.354 ( -2.142 -0.182 0.072) 2.151 16.384 ( -0.228 -0.018 -2.287) 2.298 17.139 ( 0.713 1.968 -1.035) 2.335 17.164 ( 0.627 1.537 1.002) 1.938 17.894 ( -1.041 -0.469 0.737) 1.359 17.918 ( 0.431 -0.633 -1.203) 1.426 19.005 ( 0.942 0.350 -0.804) 1.287 19.101 ( 3.350 0.374 2.277) 4.067 19.170 ( -0.342 0.103 -1.797) 1.832 19.322 ( 4.092 0.044 3.011) 5.080 19.857 ( -5.732 0.203 -6.546) 8.704 20.064 ( -1.230 0.137 5.880) 6.009 ======================= Grid point 149 (68/93) ======================= q-point: ( 0.38 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 2.159 -0.361 -4.321) 4.844 0.698 ( 4.423 -3.870 -3.093) 6.641 0.884 ( 3.378 -1.295 -3.502) 5.035 0.989 ( 3.342 -3.532 4.943) 6.934 1.132 ( -4.335 -0.454 -2.534) 5.042 1.278 ( -0.831 -2.097 -1.742) 2.850 1.422 ( -3.219 -0.426 1.994) 3.810 1.495 ( 0.983 3.279 0.271) 3.434 1.599 ( -3.965 1.490 -1.916) 4.649 1.706 ( -1.815 3.590 0.169) 4.026 1.805 ( -0.139 0.305 3.867) 3.882 1.833 ( 0.060 -2.091 -0.224) 2.104 2.119 ( -1.820 1.595 -1.526) 2.861 2.294 ( 2.401 1.363 1.413) 3.102 2.393 ( 1.607 0.295 -3.874) 4.205 2.453 ( -1.860 -5.091 1.296) 5.573 2.549 ( 0.069 1.315 0.676) 1.480 2.715 ( 4.065 5.027 -1.493) 6.635 2.787 ( -4.254 2.033 -5.317) 7.106 2.868 ( 6.784 2.898 4.667) 8.729 2.956 ( 2.872 -0.894 0.379) 3.032 3.014 ( 2.564 1.427 2.046) 3.577 3.102 ( 2.504 -4.246 3.513) 6.053 3.204 ( 2.108 -0.195 0.806) 2.265 3.215 ( 0.169 -1.056 6.255) 6.345 3.320 ( 2.984 -0.828 0.244) 3.106 3.401 ( 1.629 -2.531 0.366) 3.031 3.420 ( 0.525 -0.259 -1.733) 1.829 3.572 ( -2.647 -2.701 -0.768) 3.859 3.639 ( 3.839 -4.008 0.086) 5.550 3.734 ( -3.809 0.518 -3.327) 5.084 3.822 ( -4.343 1.714 1.322) 4.853 3.899 ( -1.653 3.000 -3.177) 4.672 4.060 ( -3.695 -1.282 3.219) 5.065 4.096 ( -2.837 0.971 -2.315) 3.788 4.226 ( -1.085 -0.619 -0.192) 1.263 4.510 ( 0.996 1.311 -1.924) 2.532 4.610 ( 1.770 -1.018 0.140) 2.047 4.649 ( -2.923 0.646 -0.975) 3.148 4.916 ( 0.572 -1.626 1.386) 2.212 5.118 ( -1.640 -0.711 -2.091) 2.751 5.461 ( 1.249 0.316 1.648) 2.092 5.801 ( -0.688 0.455 -1.368) 1.598 6.005 ( 1.035 0.121 1.589) 1.900 6.542 ( -0.227 -0.353 -0.359) 0.552 6.584 ( 0.072 -0.113 0.303) 0.332 6.751 ( -0.924 -0.038 -1.314) 1.607 6.932 ( 0.807 0.227 0.756) 1.129 7.366 ( -0.433 0.397 -0.716) 0.926 7.421 ( -0.081 0.398 0.101) 0.419 7.613 ( -0.354 0.324 -0.382) 0.614 7.670 ( 0.287 0.237 0.292) 0.473 7.909 ( 0.085 0.157 -0.059) 0.189 7.913 ( 0.099 0.239 0.064) 0.266 16.348 ( -0.993 -0.740 -0.179) 1.251 16.377 ( 0.068 -0.233 -1.387) 1.408 17.097 ( 0.536 2.814 -0.320) 2.882 17.136 ( 0.552 2.351 0.352) 2.440 17.902 ( -0.775 -0.830 0.913) 1.457 17.930 ( 0.472 -0.801 -1.083) 1.428 19.006 ( 1.198 0.294 -0.094) 1.237 19.126 ( 2.880 0.699 1.929) 3.536 19.150 ( -0.554 0.753 -2.145) 2.340 19.357 ( 2.504 0.508 1.816) 3.134 19.793 ( -3.964 -0.534 -3.836) 5.542 20.071 ( -1.898 0.056 3.259) 3.772 ======================= Grid point 150 (69/93) ======================= q-point: ( 0.50 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 2.154 1.256 2.181) 3.313 0.759 ( 1.238 -1.412 0.694) 2.002 0.952 ( 6.669 0.058 -2.445) 7.103 1.052 ( -1.762 -2.407 3.629) 4.697 1.121 ( -1.119 -2.036 1.635) 2.841 1.299 ( -0.078 -1.533 -2.771) 3.168 1.433 ( -2.762 0.477 1.533) 3.195 1.464 ( 3.205 -0.264 1.388) 3.502 1.559 ( -0.345 1.410 1.241) 1.910 1.647 ( -0.924 2.067 -0.385) 2.296 1.787 ( -1.011 0.611 0.840) 1.449 1.928 ( 3.310 -4.229 2.000) 5.730 2.053 ( -3.437 1.256 -1.012) 3.797 2.230 ( 0.772 5.266 -1.783) 5.613 2.410 ( 1.982 -0.895 -0.792) 2.315 2.461 ( -0.548 3.617 -5.088) 6.266 2.557 ( -1.054 -4.737 -0.394) 4.869 2.642 ( -2.272 1.455 -2.641) 3.776 2.765 ( 2.043 0.133 -0.526) 2.114 2.865 ( 3.454 3.249 2.805) 5.510 2.960 ( -2.080 2.764 0.132) 3.462 2.998 ( -1.163 -0.441 -3.584) 3.794 3.146 ( -0.383 0.856 2.869) 3.018 3.262 ( -0.655 -2.076 5.758) 6.156 3.279 ( 1.937 -2.775 -0.267) 3.395 3.391 ( 4.050 -1.603 1.905) 4.754 3.408 ( -0.429 -0.702 -0.144) 0.835 3.447 ( 0.749 -1.190 0.005) 1.406 3.579 ( -1.221 -1.768 -0.953) 2.350 3.670 ( -1.941 2.045 -0.674) 2.899 3.733 ( 2.813 -1.762 -0.604) 3.373 3.778 ( -0.592 0.873 -0.423) 1.136 3.811 ( -1.608 3.558 -0.963) 4.021 4.046 ( -4.600 -2.536 -2.036) 5.634 4.105 ( 0.673 -1.070 1.221) 1.758 4.230 ( -0.961 -0.674 0.171) 1.186 4.486 ( 0.638 1.274 -0.912) 1.692 4.616 ( -1.576 -0.296 -1.827) 2.431 4.647 ( 2.567 0.198 2.838) 3.832 4.948 ( -0.228 -1.200 0.382) 1.280 5.122 ( 0.600 -0.476 0.390) 0.860 5.463 ( -0.357 0.219 -0.258) 0.492 5.788 ( 0.188 0.338 -0.121) 0.405 6.009 ( -0.452 0.018 -0.309) 0.547 6.546 ( -0.032 -0.275 -0.111) 0.298 6.585 ( -0.425 -0.215 -0.385) 0.612 6.748 ( 0.638 0.086 0.648) 0.914 6.933 ( -0.028 0.207 -0.089) 0.227 7.357 ( 0.013 0.236 -0.111) 0.261 7.415 ( -0.161 0.190 -0.182) 0.308 7.606 ( 0.057 0.203 0.048) 0.216 7.668 ( -0.059 0.175 -0.067) 0.197 7.907 ( 0.065 0.114 -0.026) 0.134 7.909 ( 0.037 0.210 0.029) 0.215 16.358 ( -0.170 -0.725 0.181) 0.766 16.377 ( 0.206 -0.138 -0.600) 0.650 17.054 ( 0.192 2.193 0.264) 2.217 17.102 ( 0.257 1.774 -0.267) 1.812 17.917 ( -0.444 -0.757 0.965) 1.304 17.940 ( 0.419 -0.436 -0.892) 1.077 19.010 ( 0.587 0.233 0.252) 0.680 19.116 ( -1.183 0.810 -2.685) 3.044 19.143 ( 2.620 0.969 2.270) 3.599 19.360 ( 0.186 0.827 0.224) 0.877 19.780 ( -0.758 -1.153 -0.340) 1.421 20.068 ( -1.705 -0.588 0.354) 1.838 ======================= Grid point 151 (70/93) ======================= q-point: (-0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 3.623 2.684 8.171) 9.332 0.799 ( 2.358 -0.664 3.019) 3.888 0.887 ( -0.885 7.847 2.235) 8.207 1.094 ( 0.156 -0.596 -0.062) 0.620 1.223 ( 3.970 -4.608 1.481) 6.260 1.289 ( 0.681 1.190 -2.589) 2.930 1.391 ( -2.068 0.496 -0.989) 2.345 1.524 ( 0.790 -0.799 0.200) 1.142 1.544 ( 1.544 0.702 2.156) 2.743 1.630 ( 0.727 -1.386 1.392) 2.094 1.804 ( 1.106 -1.097 3.106) 3.475 1.940 ( -1.393 2.266 0.851) 2.793 2.098 ( 1.360 -3.320 -2.012) 4.113 2.162 ( 1.535 0.209 0.337) 1.586 2.360 ( -3.716 -0.290 -4.945) 6.193 2.469 ( 6.271 0.076 1.124) 6.371 2.584 ( -4.031 1.075 -2.391) 4.809 2.620 ( 0.144 -1.986 0.320) 2.016 2.734 ( -2.664 3.039 -4.559) 6.092 2.845 ( -0.478 2.662 1.152) 2.940 2.903 ( -4.325 -2.469 -2.958) 5.793 2.969 ( -1.200 -0.251 -2.304) 2.610 3.116 ( -3.559 2.001 -0.195) 4.088 3.274 ( -1.398 -0.608 0.219) 1.540 3.318 ( 1.909 1.918 0.766) 2.812 3.356 ( -2.194 1.753 -2.872) 4.017 3.450 ( 0.357 1.077 1.316) 1.737 3.492 ( 3.288 0.174 -0.768) 3.381 3.620 ( -0.385 0.333 3.523) 3.560 3.628 ( 0.179 -1.722 3.620) 4.012 3.731 ( 0.578 1.534 1.341) 2.118 3.789 ( 1.953 -1.134 0.356) 2.286 3.799 ( 1.658 -1.829 0.308) 2.488 4.060 ( -3.100 -4.138 -4.780) 7.041 4.132 ( 2.158 -0.101 0.677) 2.264 4.232 ( -1.205 -0.303 -0.008) 1.242 4.473 ( 0.578 0.542 0.886) 1.189 4.601 ( -1.554 -0.328 -1.897) 2.474 4.685 ( 4.203 0.589 4.482) 6.173 4.952 ( -1.139 -0.001 -1.214) 1.665 5.145 ( 2.501 0.123 2.675) 3.664 5.446 ( -1.842 -0.062 -2.126) 2.814 5.792 ( 1.098 0.027 1.237) 1.654 5.994 ( -1.937 -0.086 -2.181) 2.918 6.549 ( 0.126 -0.053 0.146) 0.201 6.582 ( -0.619 -0.247 -0.693) 0.962 6.762 ( 1.840 0.249 2.118) 2.817 6.924 ( -0.860 0.114 -0.981) 1.309 7.358 ( 0.387 -0.034 0.479) 0.617 7.411 ( -0.357 -0.087 -0.361) 0.514 7.608 ( 0.460 -0.029 0.472) 0.660 7.663 ( -0.397 0.009 -0.437) 0.590 7.906 ( 0.004 0.068 0.027) 0.073 7.907 ( 0.007 0.020 -0.027) 0.034 16.369 ( 0.315 -0.277 0.443) 0.610 16.377 ( 0.191 0.180 0.108) 0.284 17.033 ( -0.126 0.464 0.814) 0.945 17.083 ( -0.050 0.025 -0.879) 0.880 17.928 ( -0.277 -0.240 0.919) 0.989 17.942 ( 0.469 0.176 -0.697) 0.858 19.006 ( -0.211 0.613 0.212) 0.682 19.083 ( -1.651 0.106 -2.696) 3.163 19.160 ( 2.646 0.822 2.721) 3.883 19.336 ( -1.779 0.872 -0.838) 2.151 19.810 ( 1.950 -0.875 2.624) 3.384 20.070 ( -1.379 -1.582 -2.344) 3.146 ======================= Grid point 152 (71/93) ======================= q-point: (-0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 3.487 4.208 10.032) 11.424 0.741 ( 0.919 8.893 6.354) 10.968 0.845 ( 3.030 -0.147 1.440) 3.358 1.017 ( -2.913 5.792 -7.044) 9.573 1.259 ( 0.377 0.951 4.786) 4.894 1.321 ( 4.443 -0.117 -1.400) 4.660 1.387 ( -2.041 -2.204 -0.960) 3.153 1.496 ( -2.482 -0.565 -3.247) 4.126 1.622 ( 4.242 -2.855 4.715) 6.956 1.688 ( 1.429 -2.282 -0.042) 2.693 1.859 ( 4.260 -0.425 6.443) 7.736 1.927 ( 2.651 -0.574 1.022) 2.899 2.085 ( -2.603 0.205 -0.633) 2.687 2.241 ( 2.755 -2.675 -0.928) 3.951 2.375 ( -2.875 -5.792 -1.484) 6.635 2.486 ( -0.242 3.935 -2.309) 4.569 2.553 ( 2.717 0.214 1.073) 2.929 2.576 ( -3.873 1.665 -5.838) 7.201 2.649 ( -2.749 0.607 -2.634) 3.855 2.782 ( -9.358 -0.945 -4.073) 10.249 2.912 ( -1.656 -2.705 2.088) 3.797 3.001 ( 4.042 1.512 2.250) 4.867 3.037 ( -4.196 0.144 -3.008) 5.165 3.252 ( 0.591 3.157 -0.116) 3.214 3.267 ( -1.430 2.653 -7.726) 8.293 3.288 ( -1.276 1.570 -1.069) 2.288 3.424 ( -0.899 2.949 1.240) 3.323 3.449 ( 1.062 2.975 -0.207) 3.165 3.630 ( -1.385 3.276 3.449) 4.955 3.646 ( 1.828 0.978 2.582) 3.311 3.769 ( 1.848 -2.042 4.053) 4.900 3.844 ( 0.502 -3.311 0.596) 3.402 3.880 ( 3.671 -3.851 2.602) 5.923 4.088 ( -2.443 -4.183 -6.418) 8.041 4.154 ( 3.067 0.023 0.861) 3.186 4.220 ( -1.582 0.043 -0.333) 1.617 4.484 ( 0.798 -0.066 2.574) 2.695 4.581 ( -1.641 -0.018 -2.000) 2.587 4.736 ( 4.971 0.444 4.920) 7.008 4.919 ( -2.098 1.127 -2.754) 3.641 5.185 ( 4.250 0.405 4.755) 6.390 5.414 ( -3.333 -0.207 -3.931) 5.158 5.815 ( 1.870 -0.226 2.500) 3.130 5.963 ( -2.871 -0.266 -3.459) 4.503 6.551 ( 0.272 0.150 0.439) 0.538 6.577 ( -0.614 -0.118 -0.742) 0.971 6.789 ( 2.615 0.182 2.923) 3.926 6.906 ( -1.626 0.003 -1.856) 2.468 7.369 ( 0.670 -0.336 1.027) 1.272 7.410 ( -0.489 -0.507 -0.543) 0.889 7.618 ( 0.715 -0.224 0.784) 1.084 7.658 ( -0.649 -0.171 -0.747) 1.004 7.906 ( -0.009 -0.053 0.065) 0.084 7.908 ( -0.022 -0.124 -0.067) 0.143 16.375 ( -0.065 0.324 0.901) 0.960 16.380 ( 1.013 -0.170 0.323) 1.077 17.045 ( -0.235 -1.371 1.399) 1.973 17.092 ( -0.185 -1.760 -1.431) 2.276 17.927 ( -0.521 0.534 0.980) 1.232 17.938 ( 0.873 0.475 -0.684) 1.207 18.994 ( 0.016 0.559 0.675) 0.876 19.059 ( -2.024 -0.370 -2.536) 3.266 19.183 ( 2.733 0.620 2.609) 3.829 19.296 ( -2.908 0.866 -1.603) 3.432 19.862 ( 3.201 -0.458 5.116) 6.052 20.074 ( -1.733 -2.067 -4.781) 5.490 ======================= Grid point 153 (72/93) ======================= q-point: (-0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 0.928 7.350 10.689) 13.005 0.722 ( 3.253 5.708 8.787) 10.972 0.828 ( 2.717 2.331 -8.134) 8.887 0.878 ( -1.499 1.876 -4.791) 5.359 1.272 ( 4.439 3.604 9.627) 11.197 1.337 ( 1.308 -0.090 0.398) 1.370 1.405 ( -3.006 -2.708 -0.731) 4.111 1.482 ( -4.217 -3.405 -6.646) 8.576 1.703 ( -0.848 -1.942 1.313) 2.493 1.723 ( 1.889 -0.975 -1.340) 2.513 1.968 ( 8.598 -1.843 7.519) 11.570 2.008 ( 3.568 -2.100 1.567) 4.426 2.058 ( 0.250 -0.118 2.381) 2.397 2.234 ( -5.621 0.951 -6.054) 8.316 2.369 ( -5.081 5.068 -0.779) 7.219 2.400 ( -1.356 2.879 -6.076) 6.858 2.536 ( 5.107 -4.568 2.349) 7.243 2.599 ( -5.602 -2.892 -3.005) 6.984 2.669 ( 5.552 -3.497 0.894) 6.622 2.707 ( -8.767 -1.306 -3.423) 9.501 2.916 ( -3.111 4.083 3.914) 6.455 3.011 ( 2.877 0.754 -1.431) 3.300 3.022 ( 2.609 0.168 3.040) 4.010 3.180 ( -2.249 0.519 -7.924) 8.253 3.219 ( 2.436 0.934 0.197) 2.616 3.240 ( -2.103 1.448 -2.346) 3.467 3.365 ( -1.151 2.840 2.588) 4.012 3.420 ( 1.199 1.629 -2.075) 2.898 3.555 ( -0.185 5.670 4.568) 7.284 3.619 ( -0.027 3.330 -1.574) 3.684 3.837 ( 0.941 -2.201 3.798) 4.489 3.895 ( -0.479 -2.417 -1.589) 2.932 3.986 ( 2.070 -2.667 3.955) 5.200 4.084 ( -1.753 -0.705 -5.752) 6.055 4.198 ( -0.725 -2.246 1.746) 2.936 4.219 ( 0.559 -1.610 -0.427) 1.757 4.509 ( 1.125 -0.108 3.293) 3.481 4.558 ( -1.064 0.337 -1.727) 2.056 4.790 ( 4.138 0.221 3.578) 5.475 4.859 ( -2.928 1.315 -3.559) 4.792 5.245 ( 5.458 0.216 6.163) 8.236 5.362 ( -4.753 -0.184 -5.542) 7.303 5.853 ( 2.541 -0.313 3.516) 4.349 5.927 ( -3.099 -0.399 -3.966) 5.049 6.554 ( 0.410 0.198 0.760) 0.886 6.569 ( -0.612 0.038 -0.768) 0.983 6.825 ( 2.959 -0.088 3.033) 4.238 6.880 ( -2.266 -0.067 -2.612) 3.459 7.389 ( 0.785 -0.542 1.480) 1.760 7.415 ( -0.667 -0.911 -1.028) 1.527 7.633 ( 0.805 -0.273 0.947) 1.273 7.652 ( -0.763 -0.260 -0.941) 1.239 7.908 ( 0.033 -0.145 0.098) 0.178 7.910 ( -0.034 -0.171 -0.103) 0.202 16.373 ( -0.407 0.226 1.514) 1.584 16.398 ( 1.207 -0.753 -0.722) 1.596 17.086 ( -0.002 -2.319 1.897) 2.996 17.122 ( -0.067 -2.430 -1.773) 3.008 17.915 ( -0.587 0.714 0.949) 1.325 17.932 ( 0.879 0.650 -0.824) 1.369 18.999 ( 1.090 -0.040 1.652) 1.980 19.037 ( -1.849 -0.299 -2.283) 2.953 19.206 ( 2.852 0.631 2.124) 3.611 19.247 ( -2.957 0.796 -2.049) 3.685 19.924 ( 3.001 -0.408 7.134) 7.750 20.061 ( -2.908 -1.562 -6.781) 7.541 ======================= Grid point 157 (73/93) ======================= q-point: ( 0.25 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 6.449 -0.000 -9.372) 11.377 0.650 ( 8.498 -0.000 -2.883) 8.973 0.864 ( -1.874 0.000 -2.453) 3.087 0.910 ( 7.775 -0.000 6.966) 10.439 1.103 ( 1.210 -0.000 -13.132) 13.188 1.232 ( -6.142 0.000 -0.101) 6.143 1.472 ( -0.973 0.000 7.187) 7.253 1.508 ( -4.454 0.000 -2.789) 5.255 1.621 ( -6.971 0.000 -1.865) 7.216 1.788 ( -0.806 0.000 6.285) 6.337 1.853 ( 0.211 -0.000 1.166) 1.185 1.897 ( 1.481 -0.000 0.514) 1.567 2.070 ( 2.282 -0.000 2.116) 3.112 2.278 ( 1.133 -0.000 -0.111) 1.139 2.332 ( 4.127 -0.000 -4.082) 5.805 2.402 ( -4.022 0.000 7.577) 8.579 2.574 ( -1.709 0.000 1.484) 2.264 2.769 ( 4.859 -0.000 -1.737) 5.160 2.867 ( -3.441 0.000 -9.477) 10.082 2.964 ( -0.633 0.000 -2.445) 2.526 2.974 ( 3.641 -0.000 3.689) 5.183 2.995 ( 3.313 -0.000 1.754) 3.748 3.056 ( 9.036 -0.000 3.102) 9.553 3.139 ( 5.327 -0.000 -3.837) 6.565 3.268 ( 3.697 -0.000 3.363) 4.998 3.287 ( 1.292 -0.000 3.082) 3.342 3.376 ( 2.032 -0.000 0.447) 2.081 3.405 ( 1.366 -0.000 -0.497) 1.453 3.478 ( -1.344 0.000 2.946) 3.238 3.547 ( 1.549 -0.000 4.381) 4.647 3.730 ( -5.184 0.000 -3.352) 6.173 3.854 ( -5.611 0.000 0.649) 5.648 3.942 ( -2.218 0.000 -3.660) 4.280 4.017 ( -3.790 0.000 0.321) 3.803 4.173 ( -3.314 0.000 -1.932) 3.836 4.191 ( -3.896 0.000 -0.925) 4.005 4.552 ( 2.385 -0.000 -2.219) 3.257 4.569 ( 1.306 -0.000 0.072) 1.308 4.668 ( -2.571 0.000 0.320) 2.591 4.880 ( 0.348 -0.000 1.010) 1.068 5.102 ( -1.988 0.000 -2.226) 2.985 5.468 ( 1.365 -0.000 1.737) 2.209 5.810 ( -0.666 0.000 -1.538) 1.676 6.008 ( 0.712 -0.000 1.606) 1.757 6.534 ( -0.313 0.000 -0.504) 0.593 6.581 ( -0.044 0.000 0.145) 0.152 6.751 ( -0.841 0.000 -1.276) 1.528 6.938 ( 0.879 -0.000 0.773) 1.171 7.375 ( -0.571 0.000 -0.975) 1.130 7.431 ( -0.485 0.000 0.049) 0.488 7.620 ( -0.412 0.000 -0.419) 0.587 7.676 ( 0.313 -0.000 0.290) 0.426 7.913 ( 0.112 -0.000 -0.067) 0.131 7.918 ( 0.139 -0.000 0.076) 0.159 16.333 ( -1.813 0.000 -0.362) 1.849 16.371 ( -0.011 0.000 -2.087) 2.087 17.161 ( 1.362 -0.000 -1.284) 1.872 17.186 ( 0.137 -0.000 1.154) 1.162 17.885 ( -1.031 0.000 0.917) 1.380 17.911 ( 0.641 -0.000 -1.113) 1.285 19.018 ( 1.798 -0.000 -0.467) 1.858 19.131 ( 1.643 -0.000 -0.248) 1.662 19.175 ( 1.911 -0.000 0.755) 2.055 19.370 ( 3.260 -0.000 3.011) 4.437 19.784 ( -5.140 0.000 -5.342) 7.413 20.070 ( -3.359 0.000 4.278) 5.440 ======================= Grid point 158 (74/93) ======================= q-point: ( 0.38 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 5.428 -1.891 -5.915) 8.248 0.741 ( 9.961 0.752 5.490) 11.399 0.860 ( 1.939 -2.202 -1.643) 3.363 0.985 ( 0.663 -1.186 2.435) 2.788 1.073 ( 2.618 -1.697 -10.050) 10.523 1.199 ( -4.352 -1.975 -1.028) 4.889 1.458 ( -0.193 1.253 4.798) 4.962 1.506 ( -2.622 0.574 2.164) 3.448 1.595 ( -0.801 -0.229 4.812) 4.883 1.783 ( -0.459 4.331 2.462) 5.003 1.823 ( 1.207 1.159 2.481) 2.993 1.868 ( 1.014 3.057 0.421) 3.248 2.123 ( 1.905 -0.317 0.195) 1.941 2.328 ( 2.157 -1.988 -0.207) 2.941 2.348 ( -1.076 -3.813 1.016) 4.089 2.399 ( -1.757 1.130 0.403) 2.128 2.559 ( -3.016 0.572 1.446) 3.393 2.728 ( -5.028 3.478 -11.102) 12.674 2.793 ( 2.954 0.294 -5.320) 6.092 2.931 ( -1.714 -0.646 -1.269) 2.228 2.988 ( 2.430 2.386 -2.027) 3.963 3.068 ( 2.031 -2.760 3.336) 4.783 3.098 ( 5.487 2.587 -0.429) 6.081 3.190 ( 4.741 -1.864 4.138) 6.563 3.286 ( -1.910 1.264 1.669) 2.834 3.321 ( 4.199 -0.260 2.328) 4.808 3.400 ( 1.387 -0.011 1.225) 1.850 3.419 ( 1.591 -0.277 -1.375) 2.121 3.508 ( -1.175 -2.615 3.081) 4.209 3.607 ( 2.531 -3.038 1.566) 4.253 3.697 ( -1.193 -0.508 -1.517) 1.996 3.810 ( -4.493 0.443 1.029) 4.631 3.902 ( -1.387 0.883 -3.493) 3.860 3.991 ( -6.715 -1.536 -0.389) 6.899 4.100 ( -1.982 2.381 -1.852) 3.609 4.187 ( -2.659 -1.862 -1.040) 3.409 4.540 ( 1.805 1.611 -1.721) 2.970 4.596 ( 1.043 -1.160 -0.811) 1.758 4.659 ( 0.042 0.557 2.966) 3.019 4.895 ( -0.276 -1.231 0.590) 1.392 5.098 ( 0.537 -0.580 0.599) 0.992 5.474 ( -0.347 0.261 -0.165) 0.464 5.801 ( 0.188 0.269 -0.509) 0.606 6.011 ( -0.671 0.041 -0.170) 0.694 6.533 ( -0.113 -0.304 -0.332) 0.464 6.577 ( -0.793 -0.157 -0.842) 1.167 6.751 ( 1.044 0.047 0.980) 1.433 6.942 ( 0.108 0.189 0.002) 0.218 7.367 ( -0.093 0.214 -0.435) 0.494 7.424 ( -0.429 0.211 -0.449) 0.656 7.615 ( -0.041 0.208 -0.026) 0.214 7.676 ( -0.006 0.178 -0.053) 0.186 7.912 ( 0.134 0.124 -0.029) 0.185 7.918 ( 0.090 0.172 0.038) 0.198 16.328 ( -0.603 -0.647 0.094) 0.889 16.366 ( 0.366 -0.287 -1.507) 1.577 17.147 ( 1.157 2.081 -0.662) 2.471 17.177 ( 0.028 1.556 0.497) 1.634 17.888 ( -0.784 -0.598 1.121) 1.493 17.917 ( 0.681 -0.559 -0.968) 1.309 19.027 ( 1.867 0.523 -0.012) 1.939 19.130 ( -0.060 0.092 -2.177) 2.180 19.194 ( 2.985 1.211 2.246) 3.927 19.392 ( 1.151 0.709 1.037) 1.704 19.738 ( -2.234 -0.753 -2.297) 3.291 20.054 ( -4.542 -0.264 1.894) 4.928 ======================= Grid point 159 (75/93) ======================= q-point: ( 0.50 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 3.760 -1.399 0.939) 4.120 0.794 ( 3.629 0.667 4.061) 5.488 0.958 ( 0.605 -4.331 1.858) 4.752 1.040 ( 8.189 -1.297 3.583) 9.032 1.089 ( -0.055 -1.716 -1.847) 2.522 1.219 ( -0.638 -3.327 -3.090) 4.585 1.460 ( -2.618 2.316 1.021) 3.641 1.493 ( 2.240 -0.679 6.175) 6.604 1.602 ( -0.432 2.476 3.963) 4.693 1.706 ( 2.708 4.586 0.533) 5.352 1.800 ( -1.347 2.015 -0.544) 2.484 1.906 ( 4.578 -3.046 5.359) 7.678 2.082 ( -0.891 4.117 -1.414) 4.443 2.309 ( -1.874 4.639 -0.354) 5.016 2.388 ( -0.775 -2.003 -1.760) 2.777 2.446 ( -2.166 -5.695 -0.912) 6.160 2.486 ( -0.645 2.242 -6.313) 6.730 2.617 ( -1.922 1.421 -3.990) 4.651 2.791 ( 2.614 -0.298 -3.218) 4.156 2.874 ( -8.523 -0.164 -8.061) 11.733 2.976 ( 1.781 1.465 -1.167) 2.585 3.021 ( -0.512 4.902 2.103) 5.359 3.205 ( 2.663 1.278 5.336) 6.099 3.239 ( 2.627 -3.935 1.277) 4.900 3.267 ( -0.145 0.204 3.685) 3.694 3.383 ( -0.675 -1.399 -1.175) 1.948 3.390 ( 1.012 -1.057 -0.091) 1.466 3.444 ( 1.129 -0.894 1.281) 1.927 3.553 ( 2.267 -1.609 1.088) 2.985 3.670 ( -0.731 -0.855 0.016) 1.125 3.720 ( 3.502 -1.602 -0.044) 3.851 3.785 ( -0.491 0.141 1.186) 1.291 3.845 ( -2.069 2.769 -2.810) 4.454 3.946 ( -6.912 -1.513 -2.179) 7.404 4.088 ( 0.651 -1.521 0.588) 1.756 4.195 ( -2.379 -1.772 -0.695) 3.047 4.516 ( 1.393 1.654 -1.085) 2.419 4.601 ( -0.805 0.136 -1.270) 1.509 4.688 ( 3.276 -0.194 4.772) 5.791 4.918 ( -0.978 -1.598 -0.332) 1.903 5.133 ( 2.788 -0.679 3.021) 4.167 5.453 ( -2.002 0.342 -2.061) 2.893 5.801 ( 1.150 0.353 0.705) 1.394 5.994 ( -2.058 0.054 -1.925) 2.819 6.539 ( 0.067 -0.453 -0.127) 0.475 6.569 ( -0.968 -0.386 -1.046) 1.476 6.771 ( 2.184 0.212 2.468) 3.303 6.933 ( -0.691 0.313 -0.828) 1.124 7.363 ( 0.341 0.250 0.129) 0.442 7.414 ( -0.481 0.197 -0.658) 0.838 7.613 ( 0.408 0.263 0.441) 0.656 7.669 ( -0.354 0.267 -0.415) 0.607 7.911 ( 0.121 0.188 -0.001) 0.224 7.914 ( 0.021 0.266 0.008) 0.267 16.343 ( 0.011 -0.986 0.645) 1.179 16.371 ( 0.540 -0.423 -0.925) 1.151 17.107 ( 0.600 2.998 0.173) 3.062 17.141 ( -0.024 2.457 -0.340) 2.480 17.902 ( -0.501 -0.945 1.202) 1.608 17.930 ( 0.586 -0.709 -0.894) 1.283 19.028 ( 1.069 0.800 0.330) 1.376 19.107 ( -0.841 0.719 -2.611) 2.836 19.203 ( 2.923 1.566 2.485) 4.144 19.375 ( -0.891 1.172 -0.956) 1.755 19.756 ( 1.391 -1.690 1.312) 2.552 20.029 ( -4.492 -0.856 -0.772) 4.637 ======================= Grid point 160 (76/93) ======================= q-point: ( 0.62 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 4.166 -0.347 5.678) 7.051 0.837 ( 3.157 -0.216 2.658) 4.133 0.999 ( -0.155 1.487 0.819) 1.705 1.104 ( 3.244 -0.215 7.771) 8.424 1.157 ( -2.171 -3.708 -1.560) 4.571 1.286 ( 7.337 -2.355 0.732) 7.741 1.388 ( -3.152 2.302 -3.556) 5.280 1.535 ( -3.114 2.261 -0.109) 3.850 1.577 ( 2.827 -1.065 6.500) 7.168 1.666 ( 3.090 3.099 0.116) 4.377 1.800 ( 1.892 -1.521 3.482) 4.245 1.978 ( -2.195 3.675 -0.598) 4.322 2.046 ( 3.829 -3.913 4.131) 6.859 2.208 ( -1.326 3.683 -0.795) 3.995 2.320 ( -2.161 2.228 -8.010) 8.590 2.449 ( -3.771 -3.292 -7.438) 8.965 2.562 ( 0.189 -3.120 -0.902) 3.253 2.577 ( 2.978 0.212 1.178) 3.210 2.752 ( -7.620 1.569 -6.139) 9.911 2.823 ( 0.349 -2.670 -1.580) 3.122 2.897 ( -2.186 5.849 -1.500) 6.422 2.949 ( -1.460 2.773 -1.323) 3.402 3.176 ( -0.546 3.423 5.044) 6.120 3.262 ( -0.991 0.505 -0.062) 1.115 3.342 ( 1.676 -0.771 -0.872) 2.041 3.364 ( 0.008 0.432 0.464) 0.635 3.461 ( 0.979 -2.528 1.648) 3.173 3.481 ( 0.819 -2.354 1.661) 2.995 3.616 ( 4.335 -1.372 1.686) 4.850 3.656 ( -1.764 1.151 2.711) 3.433 3.753 ( 1.263 -0.715 -1.717) 2.248 3.766 ( -2.559 0.940 -1.378) 3.054 3.815 ( 3.534 -0.395 0.976) 3.687 3.932 ( -4.585 -3.456 -3.671) 6.815 4.136 ( 1.863 -1.706 0.997) 2.716 4.201 ( -2.362 -1.339 -0.535) 2.768 4.500 ( 1.500 1.141 0.516) 1.954 4.577 ( -1.818 0.236 -1.914) 2.650 4.750 ( 4.615 -0.156 5.450) 7.143 4.924 ( -1.974 -0.873 -1.869) 2.855 5.189 ( 4.253 -0.237 4.674) 6.324 5.412 ( -3.365 0.157 -3.712) 5.013 5.815 ( 2.100 0.214 2.015) 2.919 5.959 ( -3.096 0.024 -3.311) 4.533 6.547 ( 0.204 -0.378 0.105) 0.442 6.566 ( -0.736 -0.474 -0.784) 1.175 6.799 ( 2.616 0.349 3.022) 4.012 6.913 ( -1.462 0.327 -1.666) 2.240 7.365 ( 0.644 0.119 0.626) 0.906 7.403 ( -0.665 0.059 -0.797) 1.039 7.617 ( 0.743 0.170 0.803) 1.107 7.658 ( -0.658 0.201 -0.743) 1.012 7.908 ( 0.071 0.165 0.010) 0.179 7.910 ( -0.023 0.221 -0.007) 0.222 16.364 ( 0.148 -0.800 0.679) 1.060 16.378 ( 0.427 -0.258 -0.420) 0.652 17.063 ( 0.099 2.343 0.886) 2.507 17.096 ( -0.069 1.941 -1.007) 2.187 17.920 ( -0.388 -0.780 1.098) 1.401 17.941 ( 0.571 -0.435 -0.815) 1.086 19.020 ( 0.219 0.885 0.518) 1.049 19.071 ( -1.124 0.990 -2.397) 2.827 19.215 ( 2.937 1.209 2.813) 4.243 19.334 ( -2.127 1.235 -1.806) 3.051 19.820 ( 3.368 -1.752 3.597) 5.230 20.008 ( -3.810 -1.624 -3.094) 5.170 ======================= Grid point 161 (77/93) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 2.175 1.920 5.606) 6.313 0.864 ( 2.407 0.363 -0.966) 2.619 0.945 ( 3.761 6.632 5.816) 9.589 1.069 ( -2.371 5.461 -5.696) 8.239 1.235 ( 0.471 -4.656 5.320) 7.085 1.327 ( -2.651 -0.678 -3.036) 4.087 1.379 ( 6.428 -0.020 2.565) 6.921 1.447 ( -6.858 1.536 -3.285) 7.758 1.649 ( 2.628 -0.654 2.400) 3.619 1.663 ( -0.024 -1.126 0.675) 1.313 1.906 ( 5.733 -3.535 6.013) 9.029 1.924 ( -0.138 -0.102 1.449) 1.459 2.092 ( -0.423 1.674 1.627) 2.373 2.225 ( 0.987 -3.537 5.121) 6.301 2.252 ( -1.020 -0.013 -10.047) 10.099 2.393 ( -5.924 -2.367 -10.844) 12.581 2.593 ( 5.389 -0.317 0.029) 5.398 2.615 ( -5.721 0.159 -3.300) 6.606 2.676 ( 3.230 2.025 5.375) 6.590 2.750 ( -4.124 6.498 -1.935) 7.935 2.853 ( -3.346 -1.406 1.675) 3.997 2.925 ( 0.931 -3.689 -5.810) 6.945 3.137 ( 1.476 4.190 6.439) 7.822 3.233 ( -2.076 0.988 -3.069) 3.834 3.314 ( -1.586 2.165 0.012) 2.684 3.339 ( 2.167 3.529 -2.487) 4.831 3.469 ( -0.253 1.748 1.688) 2.443 3.499 ( 0.052 1.971 -1.374) 2.403 3.662 ( -0.337 -0.648 4.593) 4.651 3.685 ( 2.295 -0.350 2.291) 3.262 3.750 ( -0.223 -1.903 1.163) 2.242 3.794 ( 0.349 -2.997 -2.139) 3.699 3.865 ( 2.524 -2.097 3.144) 4.544 3.947 ( -3.618 -4.407 -5.509) 7.929 4.178 ( 2.001 -0.562 0.762) 2.214 4.196 ( -1.701 -0.513 -0.807) 1.951 4.507 ( 1.644 0.301 2.117) 2.697 4.551 ( -1.898 -0.290 -2.413) 3.084 4.811 ( 4.503 0.480 5.153) 6.860 4.895 ( -3.091 0.320 -3.533) 4.706 5.252 ( 5.014 0.103 5.599) 7.517 5.358 ( -4.474 -0.007 -5.083) 6.772 5.846 ( 2.825 -0.001 3.179) 4.252 5.916 ( -3.362 -0.156 -3.886) 5.141 6.556 ( 0.309 -0.176 0.384) 0.523 6.565 ( -0.522 -0.321 -0.598) 0.856 6.829 ( 2.703 0.299 3.058) 4.092 6.883 ( -2.121 0.245 -2.433) 3.237 7.375 ( 0.796 -0.150 0.999) 1.286 7.395 ( -0.791 -0.228 -0.910) 1.227 7.627 ( 0.864 -0.015 0.985) 1.310 7.646 ( -0.814 0.005 -0.963) 1.261 7.906 ( -0.014 0.079 0.042) 0.091 7.907 ( 0.015 0.047 -0.042) 0.065 16.378 ( 0.034 -0.328 0.412) 0.528 16.383 ( 0.315 -0.156 -0.054) 0.355 17.042 ( -0.268 0.467 1.418) 1.517 17.070 ( 0.142 0.212 -1.434) 1.457 17.930 ( -0.626 -0.123 0.905) 1.107 17.946 ( 0.776 -0.007 -0.752) 1.081 19.010 ( 0.234 0.679 0.943) 1.185 19.037 ( -1.006 0.553 -1.918) 2.236 19.234 ( 2.982 0.956 2.801) 4.202 19.283 ( -2.648 1.165 -2.220) 3.647 19.897 ( 3.536 -1.242 4.983) 6.235 19.993 ( -3.374 -2.072 -4.794) 6.218 ======================= Grid point 162 (78/93) ======================= q-point: (-0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -1.173 4.366 5.427) 7.063 0.860 ( 3.619 2.918 -5.974) 7.570 0.876 ( -0.987 6.167 -0.606) 6.275 0.916 ( 3.786 5.553 -1.538) 6.895 1.317 ( -2.490 -0.290 -1.135) 2.752 1.334 ( 3.010 -2.494 4.373) 5.865 1.350 ( -8.838 -0.720 -3.604) 9.572 1.431 ( 4.250 0.285 3.222) 5.341 1.674 ( -1.656 -1.447 0.334) 2.224 1.687 ( -1.435 -2.274 -0.914) 2.841 1.967 ( -2.094 1.176 -3.235) 4.029 1.977 ( -0.746 -3.967 -0.781) 4.112 2.114 ( -2.905 -0.111 -0.920) 3.049 2.188 ( 7.365 -0.265 3.035) 7.970 2.320 ( -2.073 -4.117 3.334) 5.688 2.413 ( 4.171 -3.377 -3.704) 6.521 2.529 ( -4.649 0.522 0.044) 4.678 2.585 ( -1.033 7.105 -2.016) 7.457 2.640 ( -0.343 -0.111 -0.261) 0.446 2.720 ( 9.034 0.181 3.063) 9.541 2.896 ( -3.158 -3.794 5.396) 7.314 2.987 ( 0.990 -4.409 -3.830) 5.924 3.118 ( 3.104 4.022 6.507) 8.256 3.148 ( -2.179 3.983 -7.474) 8.744 3.252 ( -1.263 2.653 0.119) 2.940 3.285 ( 2.017 2.911 -1.089) 3.705 3.426 ( -0.362 3.080 1.911) 3.642 3.458 ( 0.958 2.202 -1.689) 2.936 3.650 ( -0.416 2.973 2.141) 3.687 3.675 ( 0.807 2.908 -0.631) 3.083 3.809 ( -0.869 -2.881 2.926) 4.197 3.833 ( -1.085 -2.576 -2.261) 3.595 3.958 ( -1.684 -5.074 0.606) 5.380 3.978 ( -0.422 -3.682 -1.154) 3.881 4.172 ( -2.787 -0.221 -0.520) 2.844 4.213 ( 2.502 -0.308 0.374) 2.548 4.529 ( -0.101 -0.450 0.517) 0.692 4.538 ( 0.580 -0.275 -0.075) 0.646 4.830 ( -3.995 1.076 -4.080) 5.811 4.855 ( 3.372 1.021 3.329) 4.847 5.292 ( -5.182 0.076 -5.958) 7.897 5.319 ( 5.028 0.032 5.703) 7.603 5.876 ( -2.935 -0.382 -3.714) 4.750 5.890 ( 3.229 -0.184 3.902) 5.068 6.561 ( -0.376 -0.046 -0.324) 0.498 6.563 ( 0.326 0.015 0.455) 0.560 6.847 ( -2.566 0.126 -3.013) 3.960 6.862 ( 2.558 0.062 2.742) 3.751 7.390 ( -0.761 -0.565 -0.821) 1.254 7.393 ( 0.656 -0.451 0.932) 1.226 7.635 ( -0.778 -0.217 -0.693) 1.064 7.641 ( 0.787 -0.171 0.660) 1.041 7.907 ( 0.018 -0.093 0.067) 0.116 7.907 ( 0.013 -0.082 -0.068) 0.108 16.378 ( -0.529 0.179 0.491) 0.744 16.391 ( 0.341 -0.391 -0.595) 0.789 17.056 ( -0.482 -1.624 1.369) 2.178 17.079 ( 0.708 -1.558 -1.251) 2.120 17.924 ( -0.812 0.501 0.771) 1.227 17.945 ( 0.728 0.454 -0.866) 1.219 19.010 ( -0.559 0.076 0.001) 0.564 19.023 ( 1.178 0.029 0.227) 1.200 19.232 ( -2.435 0.957 -2.401) 3.551 19.255 ( 3.148 0.857 2.413) 4.058 19.958 ( -1.232 -1.303 1.279) 2.202 19.981 ( -0.015 -1.254 -1.278) 1.790 ======================= Grid point 166 (79/93) ======================= q-point: ( 0.38 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 6.294 -0.000 -5.438) 8.318 0.829 ( 0.400 -0.000 -1.290) 1.350 0.844 ( -3.121 0.000 5.423) 6.257 1.010 ( 10.723 -0.000 4.939) 11.806 1.042 ( 6.005 -0.000 -11.290) 12.788 1.161 ( -1.864 0.000 2.657) 3.245 1.424 ( -3.590 0.000 -3.201) 4.810 1.585 ( 1.197 -0.000 10.954) 11.019 1.633 ( 3.725 -0.000 11.455) 12.046 1.794 ( -3.924 0.000 0.234) 3.931 1.889 ( 2.311 -0.000 0.886) 2.475 1.915 ( 2.338 -0.000 1.638) 2.855 2.161 ( 5.537 -0.000 1.865) 5.842 2.262 ( -2.744 0.000 -0.079) 2.745 2.326 ( -0.463 0.000 -3.537) 3.567 2.413 ( -2.934 0.000 4.909) 5.719 2.536 ( -3.809 0.000 -1.493) 4.091 2.697 ( -2.875 0.000 -7.184) 7.738 2.760 ( -0.015 0.000 -11.208) 11.208 2.837 ( -7.500 0.000 -6.085) 9.658 3.068 ( 4.356 -0.000 -0.220) 4.362 3.091 ( 3.961 -0.000 3.624) 5.369 3.105 ( 2.317 -0.000 -5.965) 6.400 3.227 ( 4.505 -0.000 1.214) 4.665 3.291 ( -3.109 0.000 3.248) 4.496 3.359 ( 1.063 -0.000 1.363) 1.728 3.405 ( -1.017 0.000 -1.409) 1.738 3.424 ( 1.285 -0.000 0.642) 1.437 3.508 ( 1.457 -0.000 4.657) 4.879 3.599 ( 0.655 -0.000 2.588) 2.670 3.705 ( 4.122 -0.000 1.827) 4.509 3.788 ( -2.747 0.000 1.612) 3.185 3.885 ( -0.181 0.000 -3.556) 3.561 3.918 ( -6.745 0.000 -0.782) 6.790 4.113 ( -1.926 0.000 -2.146) 2.884 4.120 ( -2.939 0.000 -1.818) 3.456 4.569 ( 1.919 -0.000 -2.128) 2.866 4.580 ( 0.048 -0.000 -0.589) 0.591 4.691 ( 1.696 -0.000 5.128) 5.401 4.880 ( -0.821 0.000 -0.280) 0.867 5.116 ( 3.021 -0.000 3.374) 4.529 5.461 ( -2.074 0.000 -2.148) 2.986 5.808 ( 1.148 -0.000 0.504) 1.253 5.995 ( -2.083 0.000 -1.748) 2.720 6.528 ( 0.064 -0.000 -0.242) 0.250 6.561 ( -1.128 0.000 -1.301) 1.722 6.775 ( 2.359 -0.000 2.648) 3.546 6.940 ( -0.640 0.000 -0.786) 1.014 7.369 ( 0.316 -0.000 -0.026) 0.317 7.419 ( -0.560 0.000 -0.794) 0.971 7.619 ( 0.371 -0.000 0.407) 0.551 7.675 ( -0.309 0.000 -0.409) 0.513 7.915 ( 0.157 -0.000 0.011) 0.157 7.920 ( 0.032 -0.000 -0.000) 0.032 16.322 ( -0.029 0.000 0.806) 0.806 16.361 ( 0.719 -0.000 -1.378) 1.554 17.174 ( 1.472 -0.000 -0.896) 1.724 17.192 ( -0.579 0.000 0.630) 0.855 17.882 ( -0.614 0.000 1.284) 1.423 17.913 ( 0.661 -0.000 -0.894) 1.112 19.048 ( 1.706 -0.000 0.124) 1.710 19.119 ( -0.256 0.000 -2.298) 2.313 19.241 ( 2.691 -0.000 2.603) 3.744 19.400 ( -0.976 0.000 -1.036) 1.423 19.722 ( 1.476 -0.000 0.549) 1.575 20.011 ( -6.149 0.000 0.010) 6.149 ======================= Grid point 167 (80/93) ======================= q-point: ( 0.50 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 5.045 -2.254 -0.821) 5.586 0.801 ( -5.445 -1.396 0.346) 5.631 0.866 ( -0.948 -3.734 0.554) 3.892 1.033 ( 0.780 -1.435 -7.901) 8.068 1.167 ( 8.885 0.674 7.623) 11.727 1.202 ( 9.070 -1.727 6.727) 11.423 1.392 ( -4.051 -1.698 -5.112) 6.740 1.606 ( -0.524 2.437 8.127) 8.501 1.670 ( -0.229 4.307 3.843) 5.777 1.795 ( 2.291 0.187 5.561) 6.018 1.856 ( 2.498 4.456 1.408) 5.299 1.951 ( 5.531 0.227 5.558) 7.844 2.155 ( 0.508 4.332 -2.326) 4.943 2.284 ( -4.605 -4.453 -2.326) 6.815 2.337 ( -1.614 -2.282 1.579) 3.210 2.375 ( -3.302 2.502 -0.797) 4.218 2.482 ( 0.538 1.395 -6.436) 6.608 2.616 ( -2.685 1.213 -4.490) 5.370 2.721 ( -8.177 -2.891 -7.690) 11.591 2.769 ( -0.626 -0.145 -6.620) 6.651 3.036 ( 1.847 2.891 0.614) 3.486 3.100 ( 1.181 2.642 -0.993) 3.060 3.188 ( 3.809 -4.463 1.547) 6.068 3.259 ( -0.073 0.489 2.394) 2.444 3.287 ( 0.604 -0.494 1.249) 1.473 3.345 ( -1.983 -0.185 -2.986) 3.589 3.389 ( -0.128 0.442 1.791) 1.849 3.433 ( -0.241 -0.539 -0.132) 0.605 3.562 ( 3.382 -1.482 3.057) 4.794 3.630 ( -1.734 -2.075 0.883) 2.845 3.752 ( 4.737 0.718 1.891) 5.150 3.787 ( -0.115 -0.350 2.330) 2.359 3.853 ( -3.253 1.451 -1.795) 3.989 3.875 ( -2.422 -0.412 -1.998) 3.166 4.076 ( 0.382 -0.362 -0.867) 1.014 4.128 ( -2.715 -2.449 -1.786) 4.070 4.551 ( 1.280 1.438 -0.904) 2.127 4.586 ( -0.967 -0.289 -1.445) 1.763 4.736 ( 2.970 -0.239 5.578) 6.324 4.879 ( -1.344 -1.136 -1.302) 2.190 5.174 ( 4.839 -0.370 5.380) 7.246 5.421 ( -3.624 0.200 -3.944) 5.360 5.825 ( 2.149 0.215 1.649) 2.717 5.962 ( -3.154 0.067 -3.018) 4.366 6.532 ( 0.243 -0.336 -0.093) 0.425 6.550 ( -0.901 -0.307 -0.987) 1.371 6.809 ( 2.748 0.176 3.233) 4.247 6.924 ( -1.380 0.223 -1.584) 2.113 7.372 ( 0.650 0.154 0.393) 0.775 7.408 ( -0.697 0.122 -0.937) 1.174 7.625 ( 0.743 0.180 0.810) 1.114 7.667 ( -0.609 0.201 -0.747) 0.984 7.915 ( 0.140 0.144 0.038) 0.205 7.918 ( -0.042 0.174 -0.030) 0.182 16.333 ( 0.044 -0.645 1.175) 1.341 16.365 ( 0.847 -0.335 -1.213) 1.517 17.160 ( 0.553 2.208 0.096) 2.279 17.175 ( -0.201 1.545 -0.321) 1.591 17.890 ( -0.411 -0.631 1.350) 1.546 17.919 ( 0.551 -0.520 -0.976) 1.236 19.053 ( 0.897 0.724 0.426) 1.229 19.101 ( -0.659 0.485 -2.192) 2.340 19.262 ( 2.317 1.131 2.625) 3.680 19.372 ( -1.989 0.697 -2.142) 3.005 19.766 ( 4.591 -0.965 2.912) 5.522 19.962 ( -6.288 -0.834 -2.014) 6.655 ======================= Grid point 168 (81/93) ======================= q-point: (-0.38 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 3.853 -2.632 3.678) 5.941 0.816 ( -2.222 -3.772 -0.832) 4.456 0.946 ( -1.265 -4.691 2.357) 5.400 1.041 ( -0.715 -3.565 -5.520) 6.610 1.218 ( 3.552 1.507 6.705) 7.736 1.350 ( -3.163 -0.373 -4.736) 5.708 1.365 ( 10.699 -0.019 7.127) 12.856 1.529 ( -7.665 2.169 -5.523) 9.693 1.638 ( 1.412 2.746 7.705) 8.300 1.747 ( 1.109 4.528 -2.871) 5.475 1.875 ( 6.734 2.928 9.659) 12.134 2.022 ( -1.915 4.174 -3.278) 5.642 2.070 ( 4.228 -1.226 8.039) 9.165 2.255 ( -2.895 3.644 0.281) 4.663 2.289 ( -8.580 -3.087 -11.226) 14.462 2.328 ( 1.442 2.429 -4.517) 5.327 2.509 ( 2.876 -3.022 0.621) 4.218 2.576 ( -3.201 -2.205 -5.403) 6.656 2.679 ( -2.881 -0.573 1.673) 3.381 2.763 ( -0.160 -1.643 -5.260) 5.513 2.992 ( -0.426 4.148 1.685) 4.497 3.022 ( 0.001 5.711 -0.666) 5.750 3.232 ( -0.777 1.082 3.130) 3.402 3.270 ( -0.080 0.831 -1.232) 1.488 3.331 ( -3.287 -2.058 1.848) 4.296 3.345 ( 5.061 -2.848 0.147) 5.809 3.429 ( 0.876 -3.289 0.461) 3.435 3.441 ( -0.008 -1.145 -0.800) 1.397 3.634 ( 1.972 -1.838 2.209) 3.485 3.638 ( -2.947 -1.571 0.650) 3.402 3.753 ( -0.294 2.132 -0.199) 2.162 3.771 ( -1.063 2.027 -1.169) 2.570 3.838 ( 3.198 -1.238 0.407) 3.453 3.857 ( -1.632 -0.220 -1.699) 2.366 4.119 ( 2.183 -2.388 0.932) 3.367 4.144 ( -2.097 -2.449 -1.401) 3.516 4.538 ( 1.694 1.204 0.455) 2.127 4.559 ( -2.206 0.610 -1.670) 2.833 4.801 ( 3.692 -0.896 5.045) 6.315 4.876 ( -2.381 -1.126 -2.730) 3.793 5.250 ( 5.366 -0.201 6.004) 8.054 5.361 ( -4.710 0.135 -5.220) 7.032 5.852 ( 3.021 0.270 2.774) 4.110 5.916 ( -3.575 0.110 -3.657) 5.115 6.542 ( 0.359 -0.486 0.108) 0.614 6.548 ( -0.553 -0.534 -0.581) 0.963 6.842 ( 2.655 0.344 3.149) 4.134 6.895 ( -2.054 0.370 -2.316) 3.118 7.378 ( 0.815 0.186 0.731) 1.110 7.395 ( -0.838 0.140 -0.994) 1.308 7.632 ( 0.913 0.262 1.020) 1.393 7.652 ( -0.827 0.287 -0.993) 1.323 7.913 ( 0.085 0.229 0.040) 0.247 7.913 ( -0.084 0.250 -0.036) 0.266 16.352 ( -0.114 -0.897 0.964) 1.322 16.373 ( 0.589 -0.447 -1.040) 1.276 17.115 ( -0.667 2.934 0.956) 3.157 17.135 ( 0.533 2.637 -1.037) 2.883 17.907 ( -0.408 -0.886 1.234) 1.573 17.930 ( 0.576 -0.754 -1.046) 1.413 19.044 ( 0.291 1.096 0.916) 1.458 19.071 ( -0.954 1.011 -1.891) 2.347 19.273 ( 2.376 1.204 2.903) 3.940 19.326 ( -2.555 1.170 -2.496) 3.759 19.847 ( 5.404 -1.301 4.150) 6.937 19.924 ( -5.008 -1.753 -3.730) 6.486 ======================= Grid point 169 (82/93) ======================= q-point: (-0.25 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -2.417 -1.396 -0.093) 2.792 0.866 ( 2.376 -0.597 -2.141) 3.253 1.041 ( 0.610 -3.513 5.008) 6.147 1.068 ( -0.261 -0.934 -3.280) 3.420 1.235 ( -2.048 0.919 1.887) 2.933 1.284 ( 1.819 1.445 -1.160) 2.596 1.399 ( -8.525 1.522 -6.048) 10.563 1.465 ( 6.078 1.072 6.115) 8.688 1.634 ( -2.636 0.521 2.757) 3.850 1.677 ( -0.752 1.800 -2.684) 3.318 1.889 ( -3.052 1.198 -2.504) 4.126 1.964 ( 7.347 -0.213 0.021) 7.351 2.137 ( -3.993 2.009 4.536) 6.369 2.202 ( -3.521 -1.891 -4.183) 5.785 2.215 ( 2.091 1.995 0.723) 2.979 2.320 ( 5.820 -1.360 -1.325) 6.122 2.565 ( -2.214 0.408 -1.767) 2.862 2.583 ( -0.076 -3.740 0.016) 3.741 2.722 ( 2.032 -2.292 6.542) 7.224 2.761 ( -1.101 -0.680 -4.426) 4.611 2.900 ( -0.779 5.474 -0.175) 5.532 2.925 ( 1.584 4.852 0.733) 5.156 3.226 ( 1.178 1.502 3.084) 3.627 3.241 ( 0.358 1.992 -0.711) 2.145 3.326 ( -2.452 0.249 1.422) 2.845 3.386 ( 2.045 1.446 -2.862) 3.803 3.475 ( -1.595 -2.761 0.435) 3.219 3.494 ( 0.655 -1.143 0.291) 1.349 3.642 ( -3.507 -2.990 0.410) 4.626 3.694 ( 0.529 -1.640 0.520) 1.800 3.711 ( -0.654 -0.383 0.762) 1.075 3.751 ( 1.498 0.635 -1.302) 2.084 3.840 ( -3.009 -0.989 -1.443) 3.481 3.890 ( 3.789 -1.206 0.666) 4.032 4.155 ( -1.494 -1.424 -0.544) 2.135 4.187 ( 2.754 -1.742 0.517) 3.299 4.522 ( -2.275 0.292 -1.544) 2.765 4.543 ( 2.029 0.735 1.383) 2.563 4.845 ( -3.593 -0.369 -3.394) 4.956 4.869 ( 3.192 -0.496 3.239) 4.575 5.293 ( -5.116 -0.011 -5.761) 7.704 5.321 ( 4.987 0.057 5.581) 7.484 5.869 ( -3.254 -0.005 -3.511) 4.787 5.890 ( 3.492 0.185 3.571) 4.998 6.551 ( -0.349 -0.489 -0.274) 0.660 6.555 ( 0.474 -0.430 0.277) 0.697 6.857 ( -2.544 0.384 -2.865) 3.851 6.870 ( 2.347 0.365 2.735) 3.623 7.381 ( -0.842 0.020 -0.873) 1.212 7.386 ( 0.798 0.049 0.828) 1.151 7.635 ( -0.827 0.207 -0.753) 1.137 7.641 ( 0.833 0.178 0.711) 1.110 7.908 ( -0.088 0.187 -0.003) 0.207 7.909 ( 0.042 0.199 0.003) 0.204 16.369 ( -0.206 -0.755 0.490) 0.923 16.378 ( 0.136 -0.362 -0.755) 0.848 17.065 ( -1.157 2.080 0.906) 2.547 17.091 ( 0.910 2.183 -0.817) 2.502 17.922 ( -0.607 -0.600 0.941) 1.271 17.942 ( 0.658 -0.591 -0.987) 1.325 19.031 ( -0.344 1.035 0.718) 1.306 19.040 ( -0.015 0.898 -0.589) 1.074 19.268 ( -2.814 1.084 -2.263) 3.770 19.289 ( 2.397 1.066 2.389) 3.548 19.895 ( -4.015 -2.108 -2.944) 5.407 19.939 ( 4.844 -1.098 2.865) 5.734 ======================= Grid point 170 (83/93) ======================= q-point: (-0.12 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -3.838 1.257 -3.194) 5.149 0.861 ( -0.370 -0.059 -4.022) 4.039 0.970 ( -0.395 5.921 -5.852) 8.334 1.076 ( 3.700 5.267 2.815) 7.025 1.233 ( -7.398 -3.260 -0.011) 8.085 1.286 ( -2.941 -0.126 -2.887) 4.123 1.341 ( 3.080 -1.196 4.099) 5.265 1.499 ( 3.404 1.598 2.927) 4.766 1.600 ( -5.395 -0.916 -1.550) 5.687 1.651 ( -1.781 -0.952 -1.233) 2.366 1.866 ( -4.983 -2.517 -3.861) 6.787 1.983 ( 0.666 2.059 -3.719) 4.303 2.088 ( -2.165 -0.822 -1.027) 2.533 2.177 ( 0.560 -1.160 -1.818) 2.228 2.312 ( 7.101 -4.089 4.085) 9.156 2.417 ( 4.863 -1.683 7.626) 9.199 2.506 ( -1.637 2.129 -1.431) 3.044 2.645 ( 0.823 -1.742 0.010) 1.926 2.692 ( -0.705 5.073 -1.769) 5.419 2.821 ( 5.148 0.915 4.411) 6.841 2.835 ( -0.453 -1.661 4.420) 4.744 2.916 ( 1.608 -1.651 -0.668) 2.400 3.178 ( -0.047 3.339 -3.361) 4.738 3.242 ( 4.297 2.352 5.151) 7.109 3.287 ( -1.838 2.580 0.371) 3.189 3.346 ( 0.980 2.919 -1.302) 3.343 3.471 ( -1.551 1.722 0.445) 2.360 3.483 ( -0.602 0.856 -1.042) 1.477 3.674 ( -0.947 -1.129 -0.407) 1.529 3.697 ( -0.998 -0.178 -2.425) 2.628 3.744 ( -2.363 -3.103 -0.235) 3.908 3.774 ( 0.368 -2.314 0.266) 2.358 3.831 ( -3.878 -2.420 -2.411) 5.168 3.962 ( 3.558 -2.425 4.050) 5.911 4.153 ( -1.030 0.229 -0.858) 1.360 4.229 ( 1.945 -0.451 0.314) 2.022 4.500 ( -1.550 -0.503 -1.735) 2.381 4.562 ( 2.042 0.028 2.155) 2.969 4.784 ( -5.002 0.598 -5.321) 7.328 4.911 ( 2.657 0.427 3.037) 4.058 5.226 ( -4.696 0.074 -5.408) 7.163 5.381 ( 4.040 0.047 4.582) 6.109 5.832 ( -2.465 -0.243 -2.912) 3.823 5.934 ( 3.391 0.030 3.740) 5.048 6.554 ( -0.302 -0.220 -0.295) 0.476 6.568 ( 0.583 -0.231 0.654) 0.907 6.815 ( -2.679 0.294 -3.094) 4.103 6.894 ( 1.928 0.194 2.156) 2.899 7.372 ( -0.798 -0.220 -0.899) 1.222 7.398 ( 0.701 -0.182 0.899) 1.154 7.621 ( -0.843 -0.022 -0.904) 1.236 7.651 ( 0.804 0.012 0.823) 1.151 7.906 ( -0.036 0.018 0.019) 0.044 7.907 ( 0.025 0.072 -0.020) 0.079 16.376 ( -0.425 -0.076 -0.124) 0.449 16.382 ( -0.066 -0.430 -0.418) 0.603 17.040 ( -0.906 0.091 0.445) 1.013 17.073 ( 0.992 0.366 -0.242) 1.085 17.926 ( -0.687 0.031 0.734) 1.006 17.949 ( 0.508 -0.096 -0.969) 1.098 19.011 ( -0.454 0.646 -0.263) 0.832 19.041 ( 1.507 0.120 1.516) 2.141 19.215 ( -2.618 0.834 -2.854) 3.962 19.305 ( 2.422 0.788 2.309) 3.438 19.879 ( -4.019 -1.776 -4.228) 6.098 20.007 ( 3.507 -0.589 3.957) 5.320 ======================= Grid point 175 (84/93) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 5.381 -0.000 0.406) 5.396 0.701 ( -10.058 0.000 -0.462) 10.069 0.853 ( 1.928 -0.000 1.801) 2.639 0.982 ( -0.334 0.000 -9.001) 9.007 1.221 ( 3.166 -0.000 5.644) 6.471 1.320 ( -3.458 0.000 -4.194) 5.435 1.370 ( 14.918 -0.000 10.713) 18.366 1.568 ( -9.660 0.000 -6.955) 11.903 1.766 ( 0.409 -0.000 7.632) 7.643 1.854 ( 3.485 -0.000 4.425) 5.633 1.960 ( 7.816 -0.000 8.881) 11.830 2.035 ( 6.244 -0.000 5.813) 8.531 2.152 ( -6.020 0.000 -5.551) 8.189 2.178 ( -5.356 0.000 -6.473) 8.402 2.348 ( 4.896 -0.000 4.304) 6.519 2.366 ( -7.223 0.000 2.338) 7.592 2.483 ( 3.406 -0.000 -4.645) 5.760 2.511 ( -10.368 0.000 -9.803) 14.268 2.654 ( -0.280 0.000 0.667) 0.724 2.735 ( 0.530 -0.000 -6.925) 6.945 3.090 ( -0.521 0.000 -1.752) 1.827 3.093 ( 0.557 -0.000 -2.076) 2.150 3.195 ( 3.790 -0.000 3.601) 5.228 3.254 ( -1.677 0.000 -2.939) 3.384 3.272 ( -2.768 0.000 3.715) 4.633 3.332 ( 1.116 -0.000 -2.257) 2.518 3.410 ( 1.320 -0.000 1.202) 1.785 3.424 ( -0.899 0.000 -0.091) 0.904 3.580 ( 1.012 -0.000 3.189) 3.346 3.594 ( -3.685 0.000 1.251) 3.892 3.798 ( 0.533 -0.000 2.403) 2.461 3.813 ( 4.152 -0.000 1.601) 4.450 3.825 ( -3.117 0.000 0.564) 3.168 3.873 ( 2.588 -0.000 -3.679) 4.498 4.071 ( -0.518 0.000 -1.599) 1.680 4.072 ( -0.715 0.000 -1.302) 1.485 4.565 ( -1.134 0.000 -0.385) 1.198 4.572 ( 0.475 -0.000 -1.128) 1.224 4.779 ( 2.425 -0.000 4.907) 5.473 4.849 ( -1.318 0.000 -2.353) 2.697 5.245 ( 5.806 -0.000 6.513) 8.725 5.364 ( -5.023 0.000 -5.549) 7.485 5.858 ( 3.051 -0.000 2.606) 4.013 5.919 ( -3.604 0.000 -3.475) 5.007 6.531 ( 0.458 -0.000 0.010) 0.458 6.537 ( -0.637 0.000 -0.650) 0.910 6.849 ( 2.673 -0.000 3.239) 4.200 6.903 ( -2.019 0.000 -2.312) 3.069 7.382 ( 0.835 -0.000 0.616) 1.038 7.398 ( -0.846 0.000 -1.021) 1.326 7.638 ( 0.940 -0.000 1.042) 1.403 7.659 ( -0.815 0.000 -1.021) 1.306 7.918 ( 0.118 -0.000 0.063) 0.134 7.919 ( -0.117 0.000 -0.056) 0.129 16.333 ( -0.203 0.000 1.341) 1.356 16.362 ( 0.928 -0.000 -1.548) 1.805 17.180 ( -1.337 0.000 0.393) 1.394 17.190 ( 1.205 -0.000 -0.528) 1.315 17.888 ( -0.250 0.000 1.349) 1.372 17.913 ( 0.449 -0.000 -1.128) 1.214 19.068 ( 0.331 -0.000 0.705) 0.779 19.090 ( -0.923 0.000 -1.695) 1.930 19.301 ( 1.546 -0.000 2.774) 3.176 19.351 ( -2.174 0.000 -2.385) 3.227 19.822 ( 7.108 -0.000 3.603) 7.969 19.888 ( -6.593 0.000 -3.095) 7.283 ======================= Grid point 176 (85/93) ======================= q-point: (-0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -7.819 -5.408 -0.397) 9.515 0.772 ( 3.256 -2.854 4.848) 6.500 0.895 ( 0.568 -1.701 1.301) 2.216 0.955 ( -0.141 -2.449 -6.725) 7.158 1.272 ( -1.118 -0.063 -0.625) 1.283 1.292 ( 2.427 -1.193 1.380) 3.036 1.423 ( -12.905 0.416 -11.421) 17.238 1.519 ( 11.264 1.216 9.248) 14.624 1.754 ( -0.116 4.861 6.871) 8.417 1.810 ( -0.686 4.403 -5.556) 7.122 2.036 ( -3.947 4.341 -4.119) 7.169 2.058 ( 2.396 3.886 1.382) 4.770 2.106 ( -7.229 -2.890 -9.235) 12.079 2.124 ( 7.180 -2.491 11.201) 13.536 2.303 ( -2.649 2.892 5.640) 6.870 2.392 ( 4.701 2.344 1.153) 5.378 2.444 ( -5.589 -3.005 -5.113) 8.149 2.521 ( 6.094 -1.652 1.181) 6.424 2.667 ( -0.324 -0.700 2.880) 2.982 2.723 ( 1.028 -1.079 -4.564) 4.801 3.050 ( -1.677 2.283 1.675) 3.291 3.077 ( -1.368 1.324 -2.496) 3.139 3.234 ( -3.199 -2.587 -1.450) 4.362 3.266 ( 2.958 0.098 3.376) 4.489 3.273 ( -2.377 -2.928 -0.021) 3.771 3.325 ( 1.328 0.896 -0.804) 1.792 3.410 ( 0.526 0.321 -0.037) 0.617 3.437 ( 2.025 -0.770 -0.743) 2.290 3.574 ( -5.557 -1.048 1.087) 5.759 3.613 ( -1.554 -2.198 2.959) 4.000 3.783 ( -1.060 2.047 -0.442) 2.348 3.820 ( 0.140 -0.128 -0.245) 0.310 3.829 ( 2.297 1.538 0.267) 2.777 3.874 ( 4.579 0.615 -2.083) 5.068 4.078 ( -1.099 -1.865 -1.201) 2.475 4.101 ( 2.704 -2.545 0.585) 3.759 4.545 ( -2.273 0.728 -0.401) 2.420 4.568 ( 0.862 0.294 0.195) 0.932 4.823 ( -0.697 -0.455 -0.397) 0.922 4.834 ( 1.229 -0.970 0.649) 1.695 5.291 ( -5.702 -0.074 -6.313) 8.507 5.322 ( 5.410 0.003 6.123) 8.170 5.873 ( -3.356 0.117 -3.259) 4.679 5.898 ( 3.597 0.178 3.295) 4.881 6.534 ( -0.380 -0.361 -0.334) 0.622 6.539 ( 0.641 -0.327 0.188) 0.744 6.870 ( -2.549 0.239 -2.898) 3.867 6.882 ( 2.283 0.216 2.800) 3.620 7.385 ( -0.887 0.115 -0.942) 1.299 7.391 ( 0.832 0.124 0.748) 1.125 7.644 ( -0.884 0.222 -1.051) 1.391 7.649 ( 0.904 0.174 0.962) 1.332 7.916 ( -0.162 0.158 -0.056) 0.233 7.917 ( 0.066 0.161 0.058) 0.184 16.342 ( -0.444 -0.576 1.106) 1.324 16.364 ( 0.565 -0.314 -1.797) 1.909 17.153 ( -1.574 1.893 0.558) 2.524 17.179 ( 0.980 1.845 -0.507) 2.150 17.897 ( -0.296 -0.516 1.171) 1.313 17.916 ( 0.515 -0.608 -1.230) 1.466 19.066 ( -0.561 0.716 0.490) 1.033 19.070 ( -0.692 0.524 -0.461) 0.983 19.309 ( -2.348 1.078 -1.383) 2.931 19.322 ( 1.259 0.539 2.029) 2.448 19.831 ( -5.476 -1.159 -3.577) 6.642 19.908 ( 7.873 -0.570 3.412) 8.600 ======================= Grid point 177 (86/93) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -5.301 -5.115 -2.336) 7.728 0.857 ( 0.845 -0.743 -2.349) 2.605 0.948 ( -4.612 -6.709 7.679) 11.192 1.011 ( 3.063 -4.191 -2.691) 5.847 1.202 ( -7.833 1.683 -8.462) 11.653 1.283 ( -7.544 -1.540 -8.670) 11.595 1.368 ( 5.304 0.074 6.202) 8.161 1.581 ( 5.104 3.534 5.518) 8.306 1.669 ( -3.849 4.402 0.238) 5.852 1.697 ( -0.936 3.991 -3.792) 5.584 1.882 ( -3.687 3.810 -8.952) 10.405 2.005 ( -3.441 -0.064 -2.696) 4.372 2.060 ( -2.333 0.488 -2.245) 3.274 2.269 ( 5.819 2.718 11.056) 12.786 2.312 ( 6.531 -0.525 6.292) 9.085 2.349 ( 2.161 3.344 -2.191) 4.545 2.476 ( -1.817 -5.738 -1.698) 6.254 2.585 ( 1.546 0.998 0.883) 2.041 2.717 ( 1.556 -2.284 5.064) 5.769 2.744 ( 2.628 -0.985 1.246) 3.070 2.973 ( -2.802 3.968 0.043) 4.858 3.029 ( 0.764 3.907 0.683) 4.039 3.249 ( -1.012 -1.045 -0.095) 1.458 3.283 ( -0.551 0.411 -1.432) 1.588 3.287 ( 1.094 -0.747 1.363) 1.901 3.371 ( -2.515 -5.502 0.030) 6.050 3.404 ( 1.467 0.573 -2.181) 2.691 3.472 ( 1.081 -1.680 -1.071) 2.266 3.552 ( -5.887 -1.512 0.710) 6.120 3.650 ( -2.869 -2.261 2.597) 4.482 3.737 ( -0.427 1.352 -1.318) 1.936 3.806 ( 1.659 2.540 -0.858) 3.153 3.812 ( 0.527 0.842 -0.251) 1.025 3.915 ( 5.564 -0.430 0.782) 5.635 4.109 ( 0.134 -2.596 -1.194) 2.861 4.176 ( 2.813 -2.432 0.979) 3.846 4.507 ( -2.508 0.869 -0.378) 2.681 4.576 ( 1.321 0.390 1.180) 1.814 4.787 ( -3.725 -0.097 -4.800) 6.076 4.890 ( 2.460 -1.372 2.613) 3.842 5.221 ( -5.128 -0.321 -5.776) 7.730 5.386 ( 4.287 0.188 4.787) 6.428 5.832 ( -2.621 0.148 -2.547) 3.658 5.940 ( 3.523 0.227 3.426) 4.919 6.539 ( -0.205 -0.537 -0.145) 0.593 6.554 ( 0.790 -0.461 0.469) 1.027 6.827 ( -2.834 0.348 -3.136) 4.241 6.905 ( 1.749 0.340 2.135) 2.781 7.372 ( -0.789 0.141 -0.770) 1.111 7.399 ( 0.712 0.137 0.824) 1.097 7.627 ( -0.843 0.279 -0.988) 1.328 7.657 ( 0.796 0.263 0.856) 1.198 7.911 ( -0.153 0.207 -0.029) 0.259 7.914 ( 0.013 0.250 0.027) 0.252 16.355 ( -0.490 -0.837 0.735) 1.216 16.365 ( -0.024 -0.550 -1.548) 1.643 17.101 ( -1.558 2.633 0.638) 3.125 17.142 ( 0.851 2.767 -0.410) 2.924 17.910 ( -0.495 -0.703 0.893) 1.240 17.929 ( 0.559 -0.865 -1.201) 1.582 19.038 ( -1.461 0.813 -0.677) 1.804 19.064 ( 0.517 0.841 1.750) 2.009 19.252 ( -3.178 1.322 -2.504) 4.256 19.336 ( 1.645 0.907 2.826) 3.393 19.805 ( -3.913 -2.078 -3.495) 5.643 19.993 ( 6.913 -0.269 2.904) 7.502 ======================= Grid point 178 (87/93) ======================= q-point: (-0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -5.469 -1.688 -4.321) 7.172 0.825 ( -2.535 -0.106 -5.116) 5.710 0.964 ( -9.299 -0.819 -3.740) 10.057 1.097 ( -2.105 -1.262 -3.531) 4.300 1.177 ( 2.757 -6.449 5.991) 9.224 1.227 ( -1.285 0.969 -5.437) 5.670 1.404 ( 2.530 2.622 4.305) 5.640 1.544 ( -1.684 1.994 -1.509) 3.015 1.589 ( -0.460 1.886 -1.092) 2.227 1.629 ( -0.859 1.999 -0.048) 2.176 1.797 ( -2.337 -0.025 -2.611) 3.504 1.973 ( -3.402 -0.585 -2.053) 4.016 2.052 ( 1.840 -0.980 -1.501) 2.569 2.234 ( 2.185 5.925 -1.004) 6.394 2.333 ( 3.756 -0.218 3.813) 5.357 2.430 ( 1.561 -2.013 2.911) 3.868 2.557 ( 0.924 -0.897 1.072) 1.675 2.579 ( 2.570 -2.881 0.775) 3.938 2.733 ( -3.131 1.236 2.046) 3.939 2.827 ( 3.863 -1.132 5.827) 7.082 2.920 ( 2.266 1.289 2.035) 3.307 2.956 ( 0.519 4.634 1.026) 4.774 3.223 ( 0.597 2.678 -2.240) 3.542 3.279 ( -1.602 -1.051 -0.965) 2.145 3.321 ( 3.026 -0.123 0.801) 3.133 3.388 ( 1.064 1.076 -0.300) 1.543 3.432 ( -3.955 -2.921 -0.667) 4.961 3.476 ( -1.493 -0.190 -2.099) 2.583 3.565 ( -3.044 -4.556 -0.620) 5.515 3.666 ( -2.286 -0.813 0.528) 2.483 3.722 ( -2.099 -0.745 0.218) 2.238 3.770 ( 0.799 1.923 -0.098) 2.085 3.800 ( 0.725 0.950 -0.055) 1.197 3.983 ( 5.206 -1.231 2.913) 6.091 4.146 ( 1.616 -0.955 -1.655) 2.502 4.229 ( 1.313 -1.121 0.328) 1.757 4.478 ( -1.721 0.170 -0.302) 1.756 4.587 ( 1.374 0.156 1.436) 1.993 4.726 ( -4.549 0.342 -5.110) 6.850 4.937 ( 1.691 -0.742 1.653) 2.478 5.167 ( -3.613 -0.318 -4.143) 5.507 5.430 ( 2.836 0.245 3.107) 4.214 5.802 ( -1.673 0.030 -1.685) 2.375 5.978 ( 2.758 0.159 2.817) 3.946 6.545 ( -0.125 -0.412 -0.076) 0.437 6.571 ( 0.837 -0.369 0.737) 1.175 6.785 ( -2.545 0.284 -2.794) 3.790 6.919 ( 1.165 0.278 1.387) 1.833 7.361 ( -0.565 0.053 -0.537) 0.782 7.406 ( 0.518 0.038 0.714) 0.882 7.613 ( -0.599 0.186 -0.696) 0.937 7.662 ( 0.559 0.187 0.592) 0.835 7.907 ( -0.094 0.118 0.007) 0.150 7.910 ( -0.008 0.209 -0.010) 0.209 16.367 ( -0.345 -0.510 -0.259) 0.668 16.369 ( -0.280 -0.710 -0.263) 0.808 17.051 ( -1.131 1.807 0.532) 2.197 17.102 ( 0.706 2.101 -0.265) 2.232 17.921 ( -0.459 -0.466 0.779) 1.017 17.941 ( 0.328 -0.648 -1.119) 1.334 19.015 ( -0.885 0.391 -0.214) 0.991 19.067 ( 1.317 0.574 2.163) 2.597 19.194 ( -2.891 0.943 -2.817) 4.145 19.342 ( 0.935 0.803 2.000) 2.349 19.803 ( -2.452 -1.968 -2.589) 4.073 20.051 ( 4.482 0.316 2.086) 4.954 ======================= Grid point 184 (88/93) ======================= q-point: (-0.38 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( -9.698 0.000 2.285) 9.963 0.783 ( -2.720 0.000 9.335) 9.723 0.888 ( -1.174 0.000 -6.749) 6.850 0.914 ( 4.949 -0.000 0.033) 4.949 1.233 ( -0.987 0.000 -4.390) 4.499 1.234 ( -17.573 0.000 -14.133) 22.551 1.348 ( 5.318 -0.000 4.835) 7.187 1.654 ( 8.607 -0.000 6.171) 10.591 1.822 ( -1.076 0.000 -5.975) 6.071 1.826 ( -1.680 0.000 1.687) 2.381 1.934 ( -7.676 0.000 -12.452) 14.628 1.998 ( -4.330 0.000 -4.959) 6.583 2.133 ( -2.077 0.000 4.011) 4.517 2.214 ( 6.651 -0.000 6.084) 9.014 2.344 ( -3.459 0.000 -4.795) 5.912 2.387 ( 4.346 -0.000 11.556) 12.346 2.473 ( 5.654 -0.000 1.255) 5.791 2.562 ( 3.706 -0.000 6.462) 7.449 2.691 ( 0.450 -0.000 -4.588) 4.611 2.701 ( 4.382 -0.000 5.617) 7.124 3.052 ( -3.750 0.000 -0.432) 3.774 3.055 ( -2.471 0.000 0.264) 2.485 3.158 ( -4.771 0.000 -3.430) 5.876 3.220 ( -2.386 0.000 1.206) 2.673 3.321 ( 1.456 -0.000 3.868) 4.132 3.350 ( 1.761 -0.000 -2.106) 2.745 3.411 ( 0.227 -0.000 -0.607) 0.648 3.440 ( 1.370 -0.000 -0.989) 1.690 3.534 ( -3.407 0.000 1.399) 3.683 3.584 ( -3.327 0.000 3.707) 4.981 3.775 ( -3.455 0.000 -3.437) 4.873 3.821 ( 1.739 -0.000 -1.149) 2.085 3.861 ( 2.540 -0.000 -0.865) 2.683 3.916 ( 5.575 -0.000 -1.099) 5.682 4.082 ( 2.128 -0.000 0.587) 2.207 4.083 ( 2.099 -0.000 1.186) 2.411 4.538 ( -2.388 0.000 0.781) 2.512 4.569 ( -0.204 0.000 0.305) 0.367 4.791 ( -1.837 0.000 -4.562) 4.919 4.853 ( 2.068 -0.000 2.646) 3.358 5.212 ( -5.695 0.000 -6.226) 8.438 5.390 ( 4.487 -0.000 5.106) 6.798 5.836 ( -2.629 0.000 -2.382) 3.547 5.945 ( 3.537 -0.000 3.238) 4.796 6.527 ( -0.201 0.000 -0.132) 0.240 6.544 ( 0.908 -0.000 0.428) 1.004 6.835 ( -2.866 0.000 -3.288) 4.362 6.912 ( 1.704 -0.000 2.155) 2.748 7.375 ( -0.792 0.000 -0.727) 1.075 7.402 ( 0.684 -0.000 0.763) 1.025 7.634 ( -0.840 0.000 -1.080) 1.368 7.663 ( 0.775 -0.000 0.883) 1.174 7.915 ( -0.198 0.000 -0.053) 0.205 7.919 ( 0.011 -0.000 0.051) 0.052 16.337 ( -0.643 0.000 1.083) 1.259 16.354 ( 0.176 -0.000 -2.432) 2.438 17.159 ( -1.786 0.000 0.618) 1.890 17.201 ( 0.721 -0.000 -0.385) 0.817 17.896 ( -0.266 0.000 0.925) 0.963 17.908 ( 0.519 -0.000 -1.325) 1.423 19.055 ( -2.024 0.000 -0.746) 2.157 19.080 ( 0.008 -0.000 1.687) 1.688 19.288 ( -2.915 0.000 -2.267) 3.692 19.353 ( 1.463 -0.000 3.473) 3.768 19.763 ( -4.152 0.000 -3.344) 5.331 19.986 ( 8.551 -0.000 2.566) 8.927 ======================= Grid point 185 (89/93) ======================= q-point: (-0.25 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( -7.885 -6.354 1.574) 10.248 0.824 ( -8.701 -4.235 11.176) 14.783 0.846 ( -2.803 0.439 -4.383) 5.221 0.970 ( 1.164 -2.205 -5.716) 6.236 1.035 ( -12.747 -1.661 -8.126) 15.208 1.226 ( 2.026 -0.766 -2.967) 3.674 1.424 ( 5.244 -0.932 4.178) 6.769 1.675 ( -1.175 3.168 -6.173) 7.037 1.711 ( -0.280 4.266 -4.605) 6.283 1.778 ( -1.207 5.857 1.075) 6.075 1.850 ( -1.799 0.023 -4.477) 4.825 1.948 ( -1.000 0.620 -5.390) 5.517 2.097 ( -1.939 2.648 2.829) 4.333 2.313 ( 1.770 -3.534 2.238) 4.542 2.341 ( -2.955 -4.253 -0.754) 5.233 2.455 ( 7.345 4.611 9.805) 13.090 2.469 ( 6.588 3.522 -1.978) 7.728 2.610 ( 0.452 0.426 3.146) 3.207 2.693 ( -1.598 -1.672 1.103) 2.563 2.803 ( 7.463 -1.258 9.794) 12.378 2.984 ( -5.164 2.059 -1.115) 5.670 3.067 ( -0.350 -0.645 1.719) 1.869 3.141 ( -4.354 -4.110 -3.820) 7.102 3.232 ( -3.335 -3.400 -0.326) 4.774 3.319 ( -1.284 1.618 -0.965) 2.280 3.328 ( -0.682 0.584 2.063) 2.250 3.415 ( 1.580 0.446 -1.705) 2.367 3.445 ( -0.406 -0.844 -2.253) 2.440 3.523 ( -0.409 0.563 2.104) 2.216 3.600 ( -2.803 -2.231 3.110) 4.744 3.718 ( -3.392 0.483 -4.187) 5.410 3.826 ( 2.315 0.613 -0.884) 2.552 3.871 ( 3.055 1.260 -0.196) 3.310 3.975 ( 7.281 -0.586 0.942) 7.365 4.075 ( 0.936 -0.079 0.259) 0.974 4.159 ( 2.808 -2.701 1.401) 4.141 4.507 ( -2.655 1.223 1.149) 3.141 4.580 ( -0.210 -0.834 0.829) 1.194 4.744 ( -2.473 0.711 -5.121) 5.731 4.890 ( 1.581 -1.310 1.345) 2.455 5.149 ( -4.080 -0.488 -4.591) 6.161 5.440 ( 3.057 0.207 3.375) 4.558 5.808 ( -1.697 0.160 -1.328) 2.160 5.984 ( 2.767 0.125 2.514) 3.741 6.529 ( -0.045 -0.362 0.038) 0.367 6.558 ( 1.101 -0.275 0.763) 1.368 6.794 ( -2.851 0.173 -3.108) 4.221 6.929 ( 1.035 0.205 1.358) 1.719 7.366 ( -0.546 0.125 -0.368) 0.670 7.410 ( 0.513 0.101 0.818) 0.971 7.622 ( -0.576 0.190 -0.739) 0.956 7.670 ( 0.522 0.180 0.591) 0.809 7.912 ( -0.183 0.131 -0.024) 0.226 7.918 ( -0.040 0.168 0.018) 0.173 16.342 ( -0.603 -0.548 1.014) 1.301 16.345 ( -0.317 -0.479 -2.023) 2.103 17.131 ( -1.722 1.765 0.822) 2.599 17.188 ( 0.500 1.806 -0.463) 1.930 17.900 ( -0.493 -0.404 0.694) 0.942 17.913 ( 0.579 -0.657 -1.309) 1.575 19.030 ( -2.284 0.384 -0.420) 2.354 19.087 ( 0.287 0.302 2.079) 2.120 19.239 ( -3.327 1.304 -2.261) 4.229 19.375 ( 1.203 0.720 2.889) 3.211 19.737 ( -1.985 -1.264 -2.009) 3.094 20.062 ( 7.462 0.117 1.170) 7.554 ======================= Grid point 186 (90/93) ======================= q-point: (-0.12 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -6.926 -4.748 -0.698) 8.426 0.741 ( -12.881 -1.874 -7.523) 15.035 0.833 ( -6.323 -1.113 0.858) 6.477 1.020 ( -4.648 -8.200 4.115) 10.285 1.074 ( 4.133 -3.532 -0.255) 5.443 1.256 ( 4.575 -0.067 -0.558) 4.610 1.463 ( -1.018 1.495 1.103) 2.119 1.556 ( 0.872 3.367 -7.361) 8.142 1.630 ( 0.237 2.953 -2.133) 3.651 1.683 ( -0.147 3.728 0.526) 3.768 1.813 ( 0.654 2.718 0.254) 2.807 1.923 ( 0.105 -0.786 -5.145) 5.206 2.069 ( 0.578 1.212 2.444) 2.789 2.326 ( -1.642 3.513 -1.967) 4.348 2.373 ( -2.218 -3.888 -0.984) 4.583 2.431 ( 3.570 3.441 5.891) 7.700 2.534 ( 4.745 0.137 -0.010) 4.747 2.621 ( 4.295 0.005 4.448) 6.184 2.712 ( -3.239 -1.200 2.973) 4.557 2.882 ( -2.137 1.631 4.022) 4.837 2.936 ( 0.984 -0.574 2.346) 2.608 3.043 ( 0.696 3.475 -0.753) 3.624 3.177 ( -3.544 -5.293 -4.108) 7.580 3.241 ( -2.014 -0.547 -2.481) 3.242 3.306 ( -5.083 -1.561 0.722) 5.366 3.343 ( 2.895 -2.495 -3.104) 4.923 3.399 ( -0.651 0.192 -0.986) 1.197 3.439 ( -1.733 -0.970 -2.898) 3.513 3.533 ( 1.599 0.179 3.356) 3.722 3.630 ( -3.539 -2.522 1.791) 4.701 3.685 ( -0.967 -0.046 0.091) 0.973 3.825 ( 3.139 2.063 -0.135) 3.758 3.859 ( 1.808 2.791 1.822) 3.792 4.036 ( 6.127 0.751 2.724) 6.747 4.121 ( 3.382 -3.039 -2.518) 5.197 4.218 ( 1.063 -1.342 0.653) 1.832 4.475 ( -2.038 0.831 1.426) 2.622 4.595 ( -0.203 -0.629 0.786) 1.027 4.687 ( -2.008 0.999 -3.838) 4.445 4.930 ( 0.772 -1.535 0.163) 1.726 5.120 ( -1.895 -0.662 -2.197) 2.976 5.464 ( 1.395 0.370 1.373) 1.992 5.790 ( -0.730 0.239 -0.349) 0.843 6.008 ( 1.469 0.162 1.246) 1.933 6.537 ( 0.040 -0.471 0.136) 0.492 6.576 ( 0.964 -0.316 0.804) 1.294 6.758 ( -1.937 0.109 -1.925) 2.733 6.935 ( 0.361 0.274 0.527) 0.695 7.359 ( -0.223 0.199 0.004) 0.299 7.414 ( 0.369 0.186 0.697) 0.810 7.612 ( -0.212 0.281 -0.300) 0.463 7.671 ( 0.232 0.246 0.251) 0.421 7.908 ( -0.124 0.157 0.014) 0.201 7.914 ( -0.060 0.243 -0.020) 0.251 16.350 ( -0.016 -0.847 -0.668) 1.079 16.355 ( -0.401 -0.767 0.897) 1.246 17.084 ( -1.339 2.433 0.867) 2.909 17.148 ( 0.325 2.626 -0.588) 2.710 17.910 ( -0.509 -0.763 0.871) 1.265 17.924 ( 0.456 -0.790 -1.263) 1.558 19.007 ( -1.729 0.113 -0.168) 1.741 19.097 ( 1.002 0.271 2.401) 2.616 19.177 ( -3.028 1.336 -2.458) 4.122 19.368 ( -0.752 1.188 1.087) 1.777 19.753 ( 0.160 -1.706 0.061) 1.715 20.106 ( 4.940 0.912 -0.323) 5.034 ======================= Grid point 193 (91/93) ======================= q-point: (-0.25 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( -9.240 0.000 6.687) 11.405 0.697 ( -20.545 0.000 -1.841) 20.628 0.817 ( -13.844 0.000 5.442) 14.875 0.838 ( 0.472 -0.000 -1.209) 1.298 1.021 ( 4.997 -0.000 -0.873) 5.072 1.239 ( 5.366 -0.000 -1.271) 5.515 1.471 ( 4.781 -0.000 1.648) 5.057 1.646 ( -3.494 0.000 -9.074) 9.723 1.687 ( -1.444 0.000 -8.239) 8.365 1.848 ( 3.177 -0.000 1.450) 3.492 1.880 ( 1.203 -0.000 -0.596) 1.342 1.936 ( 1.889 -0.000 -4.389) 4.778 2.113 ( -2.074 0.000 -0.071) 2.075 2.255 ( -4.457 0.000 1.113) 4.594 2.285 ( 0.517 -0.000 -0.714) 0.882 2.530 ( 4.322 -0.000 -4.880) 6.519 2.604 ( 4.873 -0.000 1.811) 5.199 2.648 ( -1.200 0.000 7.858) 7.949 2.674 ( 2.241 -0.000 6.564) 6.936 2.884 ( 4.960 -0.000 7.829) 9.268 2.992 ( -4.270 0.000 3.196) 5.334 3.006 ( -4.035 0.000 -1.496) 4.303 3.058 ( -3.216 0.000 -2.202) 3.898 3.154 ( -6.968 0.000 -1.012) 7.041 3.306 ( -4.442 0.000 1.126) 4.582 3.335 ( -1.520 0.000 -1.798) 2.354 3.420 ( -0.661 0.000 -3.449) 3.511 3.421 ( 1.363 -0.000 -1.994) 2.415 3.546 ( 1.509 -0.000 -1.867) 2.401 3.573 ( -1.788 0.000 2.096) 2.756 3.687 ( -0.375 0.000 -0.752) 0.840 3.861 ( 5.280 -0.000 0.905) 5.357 3.903 ( 2.837 -0.000 -1.044) 3.023 4.003 ( 4.593 -0.000 0.982) 4.697 4.136 ( 3.061 -0.000 1.531) 3.422 4.145 ( 2.916 -0.000 3.102) 4.257 4.506 ( -3.021 0.000 2.118) 3.689 4.568 ( -0.701 0.000 0.458) 0.838 4.713 ( -1.256 0.000 -4.294) 4.474 4.891 ( 0.791 -0.000 0.205) 0.817 5.103 ( -1.876 0.000 -2.206) 2.896 5.472 ( 1.415 -0.000 1.429) 2.011 5.796 ( -0.778 0.000 -0.146) 0.791 6.011 ( 1.559 -0.000 1.173) 1.951 6.527 ( 0.106 -0.000 0.227) 0.250 6.569 ( 1.166 -0.000 0.969) 1.516 6.761 ( -2.246 0.000 -2.202) 3.145 6.941 ( 0.288 -0.000 0.498) 0.575 7.364 ( -0.188 0.000 0.158) 0.246 7.419 ( 0.638 -0.000 1.066) 1.242 7.618 ( -0.170 0.000 -0.255) 0.306 7.676 ( 0.209 -0.000 0.241) 0.319 7.912 ( -0.164 0.000 0.004) 0.164 7.919 ( -0.087 0.000 -0.014) 0.088 16.330 ( -0.010 0.000 -0.922) 0.922 16.338 ( -0.489 0.000 1.326) 1.414 17.138 ( -1.680 0.000 1.049) 1.981 17.204 ( 0.183 -0.000 -0.651) 0.676 17.894 ( -0.813 0.000 0.516) 0.963 17.906 ( 0.809 -0.000 -1.217) 1.461 19.012 ( -2.535 0.000 -0.013) 2.535 19.100 ( 0.114 -0.000 2.043) 2.046 19.213 ( -3.480 0.000 -2.262) 4.150 19.403 ( 0.693 -0.000 0.850) 1.097 19.717 ( 0.836 -0.000 0.938) 1.257 20.121 ( 6.309 -0.000 -0.856) 6.366 ======================= Grid point 194 (92/93) ======================= q-point: (-0.12 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( -7.644 -5.555 5.991) 11.188 0.538 ( -16.293 -2.458 -0.457) 16.484 0.812 ( -5.184 -1.940 8.058) 9.776 0.872 ( -2.690 -4.715 5.970) 8.069 1.055 ( 2.035 -1.699 -2.455) 3.613 1.292 ( 6.238 -0.461 -0.403) 6.268 1.488 ( 0.871 2.276 -0.542) 2.496 1.581 ( 0.558 0.493 -5.920) 5.967 1.649 ( 2.081 1.938 -2.312) 3.665 1.796 ( 2.003 6.366 0.820) 6.724 1.853 ( -0.884 1.600 -2.034) 2.735 1.915 ( 3.638 1.546 -6.127) 7.291 2.105 ( 0.374 0.063 1.776) 1.816 2.266 ( -3.818 -3.762 1.076) 5.467 2.315 ( -2.212 -2.020 -1.947) 3.572 2.512 ( 3.532 1.958 -3.331) 5.234 2.590 ( -1.332 1.657 -1.304) 2.494 2.691 ( 1.514 -2.031 6.960) 7.407 2.716 ( 2.176 3.545 7.700) 8.752 2.878 ( -5.123 2.989 0.740) 5.977 2.953 ( -1.566 -0.073 2.765) 3.178 3.036 ( -1.966 -3.432 -4.827) 6.240 3.069 ( -3.138 -0.503 -0.643) 3.242 3.125 ( -5.289 -5.914 -2.772) 8.404 3.264 ( -3.082 -0.109 -1.197) 3.308 3.316 ( -1.552 -0.854 -0.074) 1.773 3.383 ( -2.206 0.206 -4.308) 4.844 3.420 ( 0.915 0.835 -2.416) 2.715 3.543 ( -3.031 -1.956 -3.314) 4.898 3.569 ( 0.751 -0.152 1.835) 1.988 3.714 ( 3.676 0.254 4.335) 5.689 3.903 ( 6.425 2.008 1.649) 6.930 3.910 ( 1.440 0.924 0.378) 1.752 4.078 ( 3.213 -3.316 -1.561) 4.874 4.132 ( 5.627 2.499 3.504) 7.084 4.210 ( 1.651 -1.165 1.630) 2.596 4.484 ( -2.252 0.963 2.522) 3.516 4.573 ( -1.200 -1.137 0.034) 1.653 4.690 ( 1.191 0.884 -1.428) 2.059 4.904 ( -0.130 -1.262 -0.957) 1.589 5.098 ( 0.434 -0.476 0.386) 0.751 5.476 ( -0.327 0.228 -0.609) 0.728 5.793 ( 0.110 0.188 0.864) 0.891 6.019 ( 0.123 0.187 -0.429) 0.485 6.532 ( 0.209 -0.305 0.371) 0.524 6.582 ( 0.529 -0.139 0.411) 0.684 6.744 ( -0.303 -0.016 0.020) 0.304 6.939 ( -0.426 0.164 -0.359) 0.581 7.364 ( 0.186 0.188 0.653) 0.704 7.428 ( 0.802 0.417 0.859) 1.247 7.616 ( 0.189 0.224 0.180) 0.344 7.676 ( -0.096 0.167 -0.120) 0.227 7.910 ( -0.109 0.110 0.041) 0.160 7.916 ( -0.101 0.157 -0.052) 0.194 16.342 ( 1.648 -0.386 0.912) 1.922 16.346 ( -0.213 -0.464 1.539) 1.621 17.115 ( -1.366 1.655 1.179) 2.449 17.185 ( -0.013 1.722 -0.918) 1.951 17.896 ( -0.742 -0.641 0.924) 1.347 17.912 ( 0.857 -0.475 -1.084) 1.461 18.993 ( -1.865 0.085 0.354) 1.900 19.111 ( -0.213 -0.204 1.530) 1.559 19.167 ( -2.401 1.042 -1.728) 3.136 19.378 ( -2.500 1.382 -1.978) 3.475 19.753 ( 2.903 -0.659 3.766) 4.801 20.150 ( 3.996 0.589 -2.872) 4.956 ======================= Grid point 202 (93/93) ======================= q-point: (-0.12 -0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( -5.961 0.000 10.920) 12.441 0.450 ( -5.325 0.000 11.948) 13.081 0.763 ( -6.476 0.000 12.842) 14.383 0.879 ( 2.304 -0.000 2.177) 3.170 1.024 ( -1.281 0.000 -1.517) 1.985 1.328 ( 3.855 -0.000 -1.549) 4.155 1.549 ( 2.613 -0.000 -3.446) 4.325 1.550 ( 2.466 -0.000 0.938) 2.638 1.708 ( 5.935 -0.000 2.580) 6.472 1.828 ( -3.246 0.000 -6.181) 6.982 1.875 ( 0.269 -0.000 -1.886) 1.905 1.961 ( 6.272 -0.000 -4.040) 7.460 2.085 ( 1.717 -0.000 -1.867) 2.536 2.220 ( -4.826 0.000 3.834) 6.163 2.246 ( -3.184 0.000 -2.063) 3.794 2.523 ( -0.197 0.000 -5.667) 5.671 2.583 ( -0.562 0.000 0.301) 0.637 2.695 ( 1.363 -0.000 3.080) 3.368 2.776 ( -5.783 0.000 3.421) 6.719 2.915 ( -8.997 0.000 -2.474) 9.331 2.944 ( -5.921 0.000 0.055) 5.921 2.969 ( 0.206 -0.000 -0.645) 0.677 3.002 ( 2.374 -0.000 0.678) 2.469 3.025 ( -1.945 0.000 2.796) 3.406 3.240 ( -2.721 0.000 -1.511) 3.113 3.267 ( -3.006 0.000 -2.734) 4.063 3.374 ( -1.706 0.000 -2.447) 2.983 3.392 ( -0.652 0.000 -1.163) 1.333 3.521 ( -0.234 0.000 -3.999) 4.006 3.547 ( -1.263 0.000 -2.085) 2.438 3.779 ( 5.191 -0.000 5.192) 7.342 3.925 ( 0.960 -0.000 0.104) 0.966 3.991 ( 6.540 -0.000 -0.441) 6.555 4.060 ( 1.455 -0.000 -0.192) 1.468 4.206 ( 2.814 -0.000 2.298) 3.633 4.240 ( 4.458 -0.000 2.712) 5.218 4.492 ( -1.621 0.000 3.197) 3.585 4.548 ( -1.254 0.000 -0.180) 1.267 4.716 ( 3.411 -0.000 0.679) 3.478 4.882 ( -0.982 0.000 -1.611) 1.887 5.116 ( 2.784 -0.000 3.120) 4.181 5.462 ( -1.843 0.000 -2.404) 3.029 5.806 ( 0.892 -0.000 1.939) 2.135 6.011 ( -1.276 0.000 -2.276) 2.609 6.534 ( 0.353 -0.000 0.598) 0.695 6.582 ( -0.212 0.000 -0.321) 0.385 6.757 ( 2.082 -0.000 2.071) 2.937 6.930 ( -1.156 0.000 -1.202) 1.668 7.374 ( 0.555 -0.000 1.257) 1.374 7.446 ( 1.332 -0.000 -0.057) 1.333 7.623 ( 0.417 -0.000 0.511) 0.660 7.674 ( -0.375 0.000 -0.463) 0.595 7.911 ( -0.059 0.000 0.075) 0.095 7.917 ( -0.110 0.000 -0.088) 0.140 16.350 ( -0.095 0.000 2.129) 2.131 16.375 ( 4.654 -0.000 1.083) 4.779 17.127 ( -0.969 0.000 1.509) 1.793 17.195 ( -0.234 0.000 -1.190) 1.213 17.890 ( -0.311 0.000 1.300) 1.337 17.911 ( 0.970 -0.000 -0.940) 1.351 18.986 ( -1.031 0.000 1.055) 1.475 19.101 ( -2.311 0.000 -0.652) 2.401 19.159 ( -0.162 0.000 0.139) 0.213 19.344 ( -4.826 0.000 -4.743) 6.766 19.803 ( 3.919 -0.000 6.280) 7.403 20.160 ( 1.799 -0.000 -4.916) 5.235 =================== 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 3/21120 10.0 19.338 8.508 15.601 -0.000 5.765 -0.000 3/21120 20.0 7.070 3.024 6.176 -0.000 2.796 -0.000 3/21120 30.0 4.103 1.749 3.718 -0.000 1.761 -0.000 3/21120 40.0 2.857 1.223 2.646 -0.000 1.274 -0.000 3/21120 50.0 2.198 0.944 2.064 -0.000 1.003 -0.000 3/21120 60.0 1.795 0.772 1.701 -0.000 0.833 -0.000 3/21120 70.0 1.523 0.654 1.453 -0.000 0.716 -0.000 3/21120 80.0 1.327 0.569 1.272 -0.000 0.631 -0.000 3/21120 90.0 1.177 0.503 1.133 -0.000 0.565 -0.000 3/21120 100.0 1.060 0.452 1.023 -0.000 0.512 -0.000 3/21120 110.0 0.964 0.410 0.933 -0.000 0.469 -0.000 3/21120 120.0 0.885 0.375 0.858 -0.000 0.433 -0.000 3/21120 130.0 0.818 0.346 0.794 -0.000 0.402 -0.000 3/21120 140.0 0.761 0.321 0.740 -0.000 0.376 -0.000 3/21120 150.0 0.711 0.299 0.692 -0.000 0.353 -0.000 3/21120 160.0 0.667 0.281 0.651 -0.000 0.332 -0.000 3/21120 170.0 0.629 0.264 0.614 -0.000 0.314 -0.000 3/21120 180.0 0.595 0.249 0.581 -0.000 0.298 -0.000 3/21120 190.0 0.564 0.236 0.552 -0.000 0.283 -0.000 3/21120 200.0 0.537 0.224 0.525 -0.000 0.270 -0.000 3/21120 210.0 0.512 0.214 0.501 -0.000 0.258 -0.000 3/21120 220.0 0.489 0.204 0.479 -0.000 0.247 -0.000 3/21120 230.0 0.468 0.195 0.459 -0.000 0.237 -0.000 3/21120 240.0 0.449 0.187 0.441 -0.000 0.227 -0.000 3/21120 250.0 0.432 0.179 0.424 -0.000 0.219 -0.000 3/21120 260.0 0.416 0.173 0.408 -0.000 0.211 -0.000 3/21120 270.0 0.401 0.166 0.393 -0.000 0.204 -0.000 3/21120 280.0 0.387 0.160 0.380 -0.000 0.197 -0.000 3/21120 290.0 0.374 0.155 0.367 -0.000 0.190 -0.000 3/21120 300.0 0.361 0.150 0.355 -0.000 0.184 -0.000 3/21120 310.0 0.350 0.145 0.344 -0.000 0.179 -0.000 3/21120 320.0 0.339 0.140 0.334 -0.000 0.173 -0.000 3/21120 330.0 0.329 0.136 0.324 -0.000 0.168 -0.000 3/21120 340.0 0.320 0.132 0.315 -0.000 0.164 -0.000 3/21120 350.0 0.311 0.128 0.306 -0.000 0.159 -0.000 3/21120 360.0 0.302 0.125 0.298 -0.000 0.155 -0.000 3/21120 370.0 0.294 0.121 0.290 -0.000 0.151 -0.000 3/21120 380.0 0.287 0.118 0.282 -0.000 0.147 -0.000 3/21120 390.0 0.280 0.115 0.275 -0.000 0.143 -0.000 3/21120 400.0 0.273 0.112 0.269 -0.000 0.140 -0.000 3/21120 410.0 0.266 0.110 0.262 -0.000 0.137 -0.000 3/21120 420.0 0.260 0.107 0.256 -0.000 0.134 -0.000 3/21120 430.0 0.254 0.105 0.250 -0.000 0.131 -0.000 3/21120 440.0 0.249 0.102 0.245 -0.000 0.128 -0.000 3/21120 450.0 0.243 0.100 0.240 -0.000 0.125 -0.000 3/21120 460.0 0.238 0.098 0.234 -0.000 0.122 -0.000 3/21120 470.0 0.233 0.096 0.230 -0.000 0.120 -0.000 3/21120 480.0 0.228 0.094 0.225 -0.000 0.118 -0.000 3/21120 490.0 0.224 0.092 0.220 -0.000 0.115 -0.000 3/21120 500.0 0.219 0.090 0.216 -0.000 0.113 -0.000 3/21120 510.0 0.215 0.088 0.212 -0.000 0.111 -0.000 3/21120 520.0 0.211 0.087 0.208 -0.000 0.109 -0.000 3/21120 530.0 0.207 0.085 0.204 -0.000 0.107 -0.000 3/21120 540.0 0.203 0.083 0.201 -0.000 0.105 -0.000 3/21120 550.0 0.200 0.082 0.197 -0.000 0.103 -0.000 3/21120 560.0 0.196 0.080 0.194 -0.000 0.101 -0.000 3/21120 570.0 0.193 0.079 0.190 -0.000 0.100 -0.000 3/21120 580.0 0.190 0.078 0.187 -0.000 0.098 -0.000 3/21120 590.0 0.186 0.076 0.184 -0.000 0.096 -0.000 3/21120 600.0 0.183 0.075 0.181 -0.000 0.095 -0.000 3/21120 610.0 0.180 0.074 0.178 -0.000 0.093 -0.000 3/21120 620.0 0.178 0.073 0.175 -0.000 0.092 -0.000 3/21120 630.0 0.175 0.072 0.172 -0.000 0.090 -0.000 3/21120 640.0 0.172 0.070 0.170 -0.000 0.089 -0.000 3/21120 650.0 0.170 0.069 0.167 -0.000 0.088 -0.000 3/21120 660.0 0.167 0.068 0.165 -0.000 0.086 -0.000 3/21120 670.0 0.165 0.067 0.162 -0.000 0.085 -0.000 3/21120 680.0 0.162 0.066 0.160 -0.000 0.084 -0.000 3/21120 690.0 0.160 0.065 0.158 -0.000 0.083 -0.000 3/21120 700.0 0.158 0.064 0.156 -0.000 0.082 -0.000 3/21120 710.0 0.155 0.064 0.153 -0.000 0.081 -0.000 3/21120 720.0 0.153 0.063 0.151 -0.000 0.080 -0.000 3/21120 730.0 0.151 0.062 0.149 -0.000 0.078 -0.000 3/21120 740.0 0.149 0.061 0.147 -0.000 0.077 -0.000 3/21120 750.0 0.147 0.060 0.145 -0.000 0.076 -0.000 3/21120 760.0 0.145 0.059 0.144 -0.000 0.075 -0.000 3/21120 770.0 0.144 0.059 0.142 -0.000 0.074 -0.000 3/21120 780.0 0.142 0.058 0.140 -0.000 0.074 -0.000 3/21120 790.0 0.140 0.057 0.138 -0.000 0.073 -0.000 3/21120 800.0 0.138 0.056 0.137 -0.000 0.072 -0.000 3/21120 810.0 0.137 0.056 0.135 -0.000 0.071 -0.000 3/21120 820.0 0.135 0.055 0.133 -0.000 0.070 -0.000 3/21120 830.0 0.133 0.054 0.132 -0.000 0.069 -0.000 3/21120 840.0 0.132 0.054 0.130 -0.000 0.068 -0.000 3/21120 850.0 0.130 0.053 0.129 -0.000 0.068 -0.000 3/21120 860.0 0.129 0.052 0.127 -0.000 0.067 -0.000 3/21120 870.0 0.127 0.052 0.126 -0.000 0.066 -0.000 3/21120 880.0 0.126 0.051 0.124 -0.000 0.065 -0.000 3/21120 890.0 0.125 0.051 0.123 -0.000 0.065 -0.000 3/21120 900.0 0.123 0.050 0.122 -0.000 0.064 -0.000 3/21120 910.0 0.122 0.050 0.120 -0.000 0.063 -0.000 3/21120 920.0 0.121 0.049 0.119 -0.000 0.063 -0.000 3/21120 930.0 0.119 0.049 0.118 -0.000 0.062 -0.000 3/21120 940.0 0.118 0.048 0.117 -0.000 0.061 -0.000 3/21120 950.0 0.117 0.048 0.115 -0.000 0.061 -0.000 3/21120 960.0 0.116 0.047 0.114 -0.000 0.060 -0.000 3/21120 970.0 0.114 0.047 0.113 -0.000 0.060 -0.000 3/21120 980.0 0.113 0.046 0.112 -0.000 0.059 -0.000 3/21120 990.0 0.112 0.046 0.111 -0.000 0.058 -0.000 3/21120 1000.0 0.111 0.045 0.110 -0.000 0.058 -0.000 3/21120 Thermal conductivity related properties were written into "kappa-m885.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:38:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|