----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:06:04]------------------------- 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: [2 1 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 3.142799700020930 -5.109625519999999 0.000000000000000 b 3.142799700020930 5.109625519999999 0.000000000000000 c -2.895708079696017 0.000000000000000 9.595451571852486 Atomic positions (fractional): *1 O 0.90656168334280 0.09343831665720 0.25000000000000 15.999 2 O 0.09343831665720 0.90656168334280 0.75000000000000 15.999 *3 O 0.03937047568584 0.69669213417254 0.38166544956058 15.999 4 O 0.30330786582746 0.96062952431416 0.11833455043942 15.999 *5 O 0.81074443411416 0.59687118072462 0.10490260597025 15.999 6 O 0.40312881927538 0.18925556588584 0.39509739402975 15.999 7 O 0.18925556588584 0.40312881927538 0.89509739402975 15.999 8 O 0.59687118072462 0.81074443411416 0.60490260597025 15.999 9 O 0.96062952431416 0.30330786582745 0.61833455043942 15.999 10 O 0.69669213417255 0.03937047568584 0.88166544956058 15.999 *11 Na 0.99200416550059 0.67617065522643 0.92135655428321 22.990 12 Na 0.32382934477357 0.00799583449941 0.57864344571679 22.990 *13 Na 0.78552260156002 0.55586182601901 0.54982460117186 22.990 14 Na 0.44413817398099 0.21447739843998 0.95017539882814 22.990 15 Na 0.21447739843998 0.44413817398099 0.45017539882814 22.990 16 Na 0.55586182601901 0.78552260156002 0.04982460117186 22.990 *17 Na 0.66866543711048 0.33133456288952 0.25000000000000 22.990 18 Na 0.33133456288952 0.66866543711048 0.75000000000000 22.990 19 Na 0.67617065522643 0.99200416550059 0.42135655428321 22.990 20 Na 0.00799583449941 0.32382934477357 0.07864344571679 22.990 *21 Ta 0.09232606454272 0.90767393545728 0.25000000000000 180.948 22 Ta 0.90767393545728 0.09232606454272 0.75000000000000 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.285599400041860 0.000000000000000 0.000000000000000 b 0.000000000000000 10.219251039999998 0.000000000000000 c -2.895708079696017 0.000000000000000 9.595451571852486 Atomic positions (fractional): *1 O 0.50000000000000 0.59343831665720 0.25000000000000 15.999 > 1 2 O 0.50000000000000 0.40656168334280 0.75000000000000 15.999 > 2 *3 O 0.36803130492919 0.32866082924335 0.38166544956058 15.999 > 3 4 O 0.63196869507081 0.32866082924335 0.11833455043942 15.999 > 4 *5 O 0.70380780741939 0.89306337330523 0.10490260597025 15.999 > 5 6 O 0.29619219258061 0.89306337330523 0.39509739402975 15.999 > 6 7 O 0.29619219258061 0.10693662669477 0.89509739402975 15.999 > 7 8 O 0.70380780741939 0.10693662669477 0.60490260597025 15.999 > 8 9 O 0.63196869507081 0.67133917075665 0.61833455043942 15.999 > 9 10 O 0.36803130492919 0.67133917075665 0.88166544956058 15.999 > 10 11 O 0.00000000000000 0.09343831665720 0.25000000000000 15.999 > 1 12 O 0.00000000000000 0.90656168334280 0.75000000000000 15.999 > 2 13 O 0.86803130492919 0.82866082924335 0.38166544956058 15.999 > 3 14 O 0.13196869507081 0.82866082924335 0.11833455043942 15.999 > 4 15 O 0.20380780741939 0.39306337330523 0.10490260597025 15.999 > 5 16 O 0.79619219258061 0.39306337330523 0.39509739402975 15.999 > 6 17 O 0.79619219258061 0.60693662669477 0.89509739402975 15.999 > 7 18 O 0.20380780741939 0.60693662669477 0.60490260597025 15.999 > 8 19 O 0.13196869507081 0.17133917075665 0.61833455043942 15.999 > 9 20 O 0.86803130492919 0.17133917075665 0.88166544956058 15.999 > 10 *21 Na 0.83408741036351 0.84208324486292 0.92135655428321 22.990 > 11 22 Na 0.16591258963649 0.84208324486292 0.57864344571679 22.990 > 12 *23 Na 0.67069221378951 0.88516961222949 0.54982460117186 22.990 > 13 24 Na 0.32930778621049 0.88516961222949 0.95017539882814 22.990 > 14 25 Na 0.32930778621049 0.11483038777050 0.45017539882814 22.990 > 15 26 Na 0.67069221378951 0.11483038777050 0.04982460117186 22.990 > 16 *27 Na 0.50000000000000 0.83133456288952 0.25000000000000 22.990 > 17 28 Na 0.50000000000000 0.16866543711048 0.75000000000000 22.990 > 18 29 Na 0.83408741036351 0.15791675513708 0.42135655428321 22.990 > 19 30 Na 0.16591258963649 0.15791675513708 0.07864344571679 22.990 > 20 31 Na 0.33408741036351 0.34208324486292 0.92135655428321 22.990 > 11 32 Na 0.66591258963649 0.34208324486292 0.57864344571679 22.990 > 12 33 Na 0.17069221378951 0.38516961222949 0.54982460117186 22.990 > 13 34 Na 0.82930778621049 0.38516961222949 0.95017539882814 22.990 > 14 35 Na 0.82930778621049 0.61483038777051 0.45017539882814 22.990 > 15 36 Na 0.17069221378951 0.61483038777051 0.04982460117186 22.990 > 16 37 Na 0.00000000000000 0.33133456288952 0.25000000000000 22.990 > 17 38 Na 0.00000000000000 0.66866543711048 0.75000000000000 22.990 > 18 39 Na 0.33408741036351 0.65791675513708 0.42135655428321 22.990 > 19 40 Na 0.66591258963649 0.65791675513708 0.07864344571679 22.990 > 20 *41 Ta 0.50000000000000 0.40767393545728 0.25000000000000 180.948 > 21 42 Ta 0.50000000000000 0.59232606454272 0.75000000000000 180.948 > 22 43 Ta 0.00000000000000 0.90767393545728 0.25000000000000 180.948 > 21 44 Ta 0.00000000000000 0.09232606454272 0.75000000000000 180.948 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.571198800083719 0.000000000000000 0.000000000000000 b 0.000000000000000 10.219251039999998 0.000000000000000 c -2.895708079696017 0.000000000000000 9.595451571852486 Atomic positions (fractional): *1 O 0.25000000000000 0.59343831665720 0.25000000000000 15.999 > 1 2 O 0.75000000000000 0.59343831665720 0.25000000000000 15.999 > 1 3 O 0.25000000000000 0.40656168334280 0.75000000000000 15.999 > 2 4 O 0.75000000000000 0.40656168334280 0.75000000000000 15.999 > 2 *5 O 0.18401565246460 0.32866082924335 0.38166544956058 15.999 > 3 6 O 0.68401565246460 0.32866082924335 0.38166544956058 15.999 > 3 7 O 0.31598434753540 0.32866082924335 0.11833455043942 15.999 > 4 8 O 0.81598434753540 0.32866082924335 0.11833455043942 15.999 > 4 *9 O 0.35190390370970 0.89306337330523 0.10490260597025 15.999 > 5 10 O 0.85190390370970 0.89306337330523 0.10490260597025 15.999 > 5 11 O 0.14809609629030 0.89306337330523 0.39509739402975 15.999 > 6 12 O 0.64809609629030 0.89306337330523 0.39509739402975 15.999 > 6 13 O 0.14809609629030 0.10693662669477 0.89509739402975 15.999 > 7 14 O 0.64809609629030 0.10693662669477 0.89509739402975 15.999 > 7 15 O 0.35190390370970 0.10693662669477 0.60490260597025 15.999 > 8 16 O 0.85190390370970 0.10693662669477 0.60490260597025 15.999 > 8 17 O 0.31598434753540 0.67133917075665 0.61833455043942 15.999 > 9 18 O 0.81598434753540 0.67133917075665 0.61833455043942 15.999 > 9 19 O 0.18401565246460 0.67133917075665 0.88166544956058 15.999 > 10 20 O 0.68401565246460 0.67133917075665 0.88166544956058 15.999 > 10 21 O 0.00000000000000 0.09343831665720 0.25000000000000 15.999 > 1 22 O 0.50000000000000 0.09343831665720 0.25000000000000 15.999 > 1 23 O 0.00000000000000 0.90656168334280 0.75000000000000 15.999 > 2 24 O 0.50000000000000 0.90656168334280 0.75000000000000 15.999 > 2 25 O 0.43401565246460 0.82866082924335 0.38166544956058 15.999 > 3 26 O 0.93401565246460 0.82866082924335 0.38166544956058 15.999 > 3 27 O 0.06598434753540 0.82866082924335 0.11833455043942 15.999 > 4 28 O 0.56598434753540 0.82866082924335 0.11833455043942 15.999 > 4 29 O 0.10190390370970 0.39306337330523 0.10490260597025 15.999 > 5 30 O 0.60190390370970 0.39306337330523 0.10490260597025 15.999 > 5 31 O 0.39809609629030 0.39306337330523 0.39509739402975 15.999 > 6 32 O 0.89809609629030 0.39306337330523 0.39509739402975 15.999 > 6 33 O 0.39809609629030 0.60693662669477 0.89509739402975 15.999 > 7 34 O 0.89809609629030 0.60693662669477 0.89509739402975 15.999 > 7 35 O 0.10190390370970 0.60693662669477 0.60490260597025 15.999 > 8 36 O 0.60190390370970 0.60693662669477 0.60490260597025 15.999 > 8 37 O 0.06598434753540 0.17133917075665 0.61833455043942 15.999 > 9 38 O 0.56598434753540 0.17133917075665 0.61833455043942 15.999 > 9 39 O 0.43401565246460 0.17133917075665 0.88166544956058 15.999 > 10 40 O 0.93401565246460 0.17133917075665 0.88166544956058 15.999 > 10 *41 Na 0.41704370518175 0.84208324486292 0.92135655428321 22.990 > 11 42 Na 0.91704370518176 0.84208324486292 0.92135655428321 22.990 > 11 43 Na 0.08295629481824 0.84208324486292 0.57864344571679 22.990 > 12 44 Na 0.58295629481824 0.84208324486292 0.57864344571679 22.990 > 12 *45 Na 0.33534610689476 0.88516961222949 0.54982460117186 22.990 > 13 46 Na 0.83534610689476 0.88516961222949 0.54982460117186 22.990 > 13 47 Na 0.16465389310524 0.88516961222949 0.95017539882814 22.990 > 14 48 Na 0.66465389310524 0.88516961222949 0.95017539882814 22.990 > 14 49 Na 0.16465389310524 0.11483038777050 0.45017539882814 22.990 > 15 50 Na 0.66465389310524 0.11483038777050 0.45017539882814 22.990 > 15 51 Na 0.33534610689476 0.11483038777050 0.04982460117186 22.990 > 16 52 Na 0.83534610689476 0.11483038777050 0.04982460117186 22.990 > 16 *53 Na 0.25000000000000 0.83133456288952 0.25000000000000 22.990 > 17 54 Na 0.75000000000000 0.83133456288952 0.25000000000000 22.990 > 17 55 Na 0.25000000000000 0.16866543711048 0.75000000000000 22.990 > 18 56 Na 0.75000000000000 0.16866543711048 0.75000000000000 22.990 > 18 57 Na 0.41704370518175 0.15791675513708 0.42135655428321 22.990 > 19 58 Na 0.91704370518176 0.15791675513708 0.42135655428321 22.990 > 19 59 Na 0.08295629481824 0.15791675513708 0.07864344571679 22.990 > 20 60 Na 0.58295629481824 0.15791675513708 0.07864344571679 22.990 > 20 61 Na 0.16704370518175 0.34208324486292 0.92135655428321 22.990 > 11 62 Na 0.66704370518176 0.34208324486292 0.92135655428321 22.990 > 11 63 Na 0.33295629481825 0.34208324486292 0.57864344571679 22.990 > 12 64 Na 0.83295629481824 0.34208324486292 0.57864344571679 22.990 > 12 65 Na 0.08534610689476 0.38516961222949 0.54982460117186 22.990 > 13 66 Na 0.58534610689476 0.38516961222949 0.54982460117186 22.990 > 13 67 Na 0.41465389310524 0.38516961222949 0.95017539882814 22.990 > 14 68 Na 0.91465389310524 0.38516961222949 0.95017539882814 22.990 > 14 69 Na 0.41465389310524 0.61483038777051 0.45017539882814 22.990 > 15 70 Na 0.91465389310524 0.61483038777051 0.45017539882814 22.990 > 15 71 Na 0.08534610689476 0.61483038777051 0.04982460117186 22.990 > 16 72 Na 0.58534610689476 0.61483038777051 0.04982460117186 22.990 > 16 73 Na 0.00000000000000 0.33133456288952 0.25000000000000 22.990 > 17 74 Na 0.50000000000000 0.33133456288952 0.25000000000000 22.990 > 17 75 Na 0.00000000000000 0.66866543711048 0.75000000000000 22.990 > 18 76 Na 0.50000000000000 0.66866543711048 0.75000000000000 22.990 > 18 77 Na 0.16704370518175 0.65791675513708 0.42135655428321 22.990 > 19 78 Na 0.66704370518176 0.65791675513708 0.42135655428321 22.990 > 19 79 Na 0.33295629481825 0.65791675513708 0.07864344571679 22.990 > 20 80 Na 0.83295629481824 0.65791675513708 0.07864344571679 22.990 > 20 *81 Ta 0.25000000000000 0.40767393545728 0.25000000000000 180.948 > 21 82 Ta 0.75000000000000 0.40767393545728 0.25000000000000 180.948 > 21 83 Ta 0.25000000000000 0.59232606454272 0.75000000000000 180.948 > 22 84 Ta 0.75000000000000 0.59232606454272 0.75000000000000 180.948 > 22 85 Ta 0.00000000000000 0.90767393545728 0.25000000000000 180.948 > 21 86 Ta 0.50000000000000 0.90767393545728 0.25000000000000 180.948 > 21 87 Ta 0.00000000000000 0.09232606454272 0.75000000000000 180.948 > 22 88 Ta 0.50000000000000 0.09232606454272 0.75000000000000 180.948 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0156281 0.0000000 0.1152871 0.0000000 2.7996020 0.0000000 0.1152801 0.0000000 3.0704232 -------------------------- Born effective charges -------------------------- 1 O -1.0149680 0.0000000 -0.1582535 0.0000000 -2.8413082 0.0000000 -0.1513048 0.0000000 -1.1016082 2 O -1.0149680 0.0000000 -0.1582535 0.0000000 -2.8413082 0.0000000 -0.1513048 0.0000000 -1.1016082 3 O -2.0156956 -0.5338029 0.6123199 -0.5462802 -1.2984111 0.4600846 0.6288514 0.5979496 -2.1074681 4 O -2.0156956 0.5338029 0.6123199 0.5462802 -1.2984111 -0.4600846 0.6288514 -0.5979496 -2.1074681 5 O -2.3144684 -0.1230734 -0.9617384 -0.0931043 -1.2902393 -0.0456393 -0.9837752 -0.1343998 -2.2780999 6 O -2.3144684 0.1230734 -0.9617384 0.0931043 -1.2902393 0.0456393 -0.9837752 0.1343998 -2.2780999 7 O -2.3144684 -0.1230734 -0.9617384 -0.0931043 -1.2902393 -0.0456393 -0.9837752 -0.1343998 -2.2780999 8 O -2.3144684 0.1230734 -0.9617384 0.0931043 -1.2902393 0.0456393 -0.9837752 0.1343998 -2.2780999 9 O -2.0156956 -0.5338029 0.6123199 -0.5462802 -1.2984111 0.4600846 0.6288514 0.5979496 -2.1074681 10 O -2.0156956 0.5338029 0.6123199 0.5462802 -1.2984111 -0.4600846 0.6288514 -0.5979496 -2.1074681 11 Na 0.8575458 0.1744335 -0.0576257 0.1889569 1.0703072 0.0028633 -0.0422973 0.0760233 1.0948374 12 Na 0.8575458 -0.1744335 -0.0576257 -0.1889569 1.0703072 -0.0028633 -0.0422973 -0.0760233 1.0948374 13 Na 1.0929236 0.1400118 0.0526612 0.1381621 1.0457768 0.0983511 0.0681481 0.0475057 1.0637551 14 Na 1.0929236 -0.1400118 0.0526612 -0.1381621 1.0457768 -0.0983511 0.0681481 -0.0475057 1.0637551 15 Na 1.0929236 0.1400118 0.0526612 0.1381621 1.0457768 0.0983511 0.0681481 0.0475057 1.0637551 16 Na 1.0929236 -0.1400118 0.0526612 -0.1381621 1.0457768 -0.0983511 0.0681481 -0.0475057 1.0637551 17 Na 1.2478767 0.0000000 -0.0196919 0.0000000 0.9826382 0.0000000 -0.0447068 0.0000000 0.7814562 18 Na 1.2478767 0.0000000 -0.0196919 0.0000000 0.9826382 0.0000000 -0.0447068 0.0000000 0.7814562 19 Na 0.8575458 -0.1744335 -0.0576257 -0.1889569 1.0703072 -0.0028633 -0.0422973 -0.0760233 1.0948374 20 Na 0.8575458 0.1744335 -0.0576257 0.1889569 1.0703072 0.0028633 -0.0422973 0.0760233 1.0948374 21 Ta 4.5264807 0.0000000 0.8867114 0.0000000 2.8038029 0.0000000 0.8541576 0.0000000 4.7741027 22 Ta 4.5264807 0.0000000 0.8867114 0.0000000 2.8038029 0.0000000 0.8541576 0.0000000 4.7741027 ---------------------------------------------------------------------------- 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: 10614/10614 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2286 Number of blocks in projector: 2286 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: 502 Use submatrix version of eigh solver. (1) Block: 502 / 502 (2) Block: 250 / 502 (2) 237 eigenvectors found. (2) Block: 502 / 502 (2) 241 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 466 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 466 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 284 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 284 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 284 Use standard eigh solver. Tree of FC basis block matrices: - (2286, 2236), data: False |-- (284, 277), data: True |-- (284, 277), data: True |-- (284, 277), data: True |-- (466, 458), data: True |-- (466, 458), data: True |-- (502, 489), data: False |-- (502, 489), data: False |-- (502, 11), data: (502, 24) @ (24, 11) |-- (252, 241), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.532 Solver_block: 200 / 720 - Time: 0.446 Solver_block: 300 / 720 - Time: 0.451 Solver_block: 400 / 720 - Time: 0.444 Solver_block: 500 / 720 - Time: 0.451 Solver_block: 600 / 720 - Time: 0.443 Solver_block: 700 / 720 - Time: 0.447 Solver_block: 720 / 720 - Time: 0.177 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.471 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 264/264 Permutation basis: 10614/10614 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2286 Number of blocks in projector: 2286 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: 502 Use submatrix version of eigh solver. (1) Block: 502 / 502 (2) Block: 250 / 502 (2) 237 eigenvectors found. (2) Block: 502 / 502 (2) 241 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 466 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 466 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 284 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 284 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 284 Use standard eigh solver. Tree of FC basis block matrices: - (2286, 2236), data: False |-- (284, 277), data: True |-- (284, 277), data: True |-- (284, 277), data: True |-- (466, 458), data: True |-- (466, 458), data: True |-- (502, 489), data: False |-- (502, 489), data: False |-- (502, 11), data: (502, 24) @ (24, 11) |-- (252, 241), data: True |-- (250, 237), 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 2026-01-07 23:06:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:06:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 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 3.142799700020930 -5.109625519999999 0.000000000000000 b 3.142799700020930 5.109625519999999 0.000000000000000 c -2.895708079696017 0.000000000000000 9.595451571852486 Atomic positions (fractional): 1 O 0.90656168334280 0.09343831665720 0.25000000000000 15.999 2 O 0.09343831665720 0.90656168334280 0.75000000000000 15.999 3 O 0.03937047568584 0.69669213417254 0.38166544956058 15.999 4 O 0.30330786582746 0.96062952431416 0.11833455043942 15.999 5 O 0.81074443411416 0.59687118072462 0.10490260597025 15.999 6 O 0.40312881927538 0.18925556588584 0.39509739402975 15.999 7 O 0.18925556588584 0.40312881927538 0.89509739402975 15.999 8 O 0.59687118072462 0.81074443411416 0.60490260597025 15.999 9 O 0.96062952431416 0.30330786582745 0.61833455043942 15.999 10 O 0.69669213417255 0.03937047568584 0.88166544956058 15.999 11 Na 0.99200416550059 0.67617065522643 0.92135655428321 22.990 12 Na 0.32382934477357 0.00799583449941 0.57864344571679 22.990 13 Na 0.78552260156002 0.55586182601901 0.54982460117186 22.990 14 Na 0.44413817398099 0.21447739843998 0.95017539882814 22.990 15 Na 0.21447739843998 0.44413817398099 0.45017539882814 22.990 16 Na 0.55586182601901 0.78552260156002 0.04982460117186 22.990 17 Na 0.66866543711048 0.33133456288952 0.25000000000000 22.990 18 Na 0.33133456288952 0.66866543711048 0.75000000000000 22.990 19 Na 0.67617065522643 0.99200416550059 0.42135655428321 22.990 20 Na 0.00799583449941 0.32382934477357 0.07864344571679 22.990 21 Ta 0.09232606454272 0.90767393545728 0.25000000000000 180.948 22 Ta 0.90767393545728 0.09232606454272 0.75000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.571198800083719 0.000000000000000 0.000000000000000 b 0.000000000000000 10.219251039999998 0.000000000000000 c -2.895708079696017 0.000000000000000 9.595451571852486 Atomic positions (fractional): 1 O 0.25000000000000 0.59343831665720 0.25000000000000 15.999 > 1 2 O 0.75000000000000 0.59343831665720 0.25000000000000 15.999 > 1 3 O 0.25000000000000 0.40656168334280 0.75000000000000 15.999 > 3 4 O 0.75000000000000 0.40656168334280 0.75000000000000 15.999 > 3 5 O 0.18401565246460 0.32866082924335 0.38166544956058 15.999 > 5 6 O 0.68401565246460 0.32866082924335 0.38166544956058 15.999 > 5 7 O 0.31598434753540 0.32866082924335 0.11833455043942 15.999 > 7 8 O 0.81598434753540 0.32866082924335 0.11833455043942 15.999 > 7 9 O 0.35190390370970 0.89306337330523 0.10490260597025 15.999 > 9 10 O 0.85190390370970 0.89306337330523 0.10490260597025 15.999 > 9 11 O 0.14809609629030 0.89306337330523 0.39509739402975 15.999 > 11 12 O 0.64809609629030 0.89306337330523 0.39509739402975 15.999 > 11 13 O 0.14809609629030 0.10693662669477 0.89509739402975 15.999 > 13 14 O 0.64809609629030 0.10693662669477 0.89509739402975 15.999 > 13 15 O 0.35190390370970 0.10693662669477 0.60490260597025 15.999 > 15 16 O 0.85190390370970 0.10693662669477 0.60490260597025 15.999 > 15 17 O 0.31598434753540 0.67133917075665 0.61833455043942 15.999 > 17 18 O 0.81598434753540 0.67133917075665 0.61833455043942 15.999 > 17 19 O 0.18401565246460 0.67133917075665 0.88166544956058 15.999 > 19 20 O 0.68401565246460 0.67133917075665 0.88166544956058 15.999 > 19 21 O 0.00000000000000 0.09343831665720 0.25000000000000 15.999 > 1 22 O 0.50000000000000 0.09343831665720 0.25000000000000 15.999 > 1 23 O 0.00000000000000 0.90656168334280 0.75000000000000 15.999 > 3 24 O 0.50000000000000 0.90656168334280 0.75000000000000 15.999 > 3 25 O 0.43401565246460 0.82866082924335 0.38166544956058 15.999 > 5 26 O 0.93401565246460 0.82866082924335 0.38166544956058 15.999 > 5 27 O 0.06598434753540 0.82866082924335 0.11833455043942 15.999 > 7 28 O 0.56598434753540 0.82866082924335 0.11833455043942 15.999 > 7 29 O 0.10190390370970 0.39306337330523 0.10490260597025 15.999 > 9 30 O 0.60190390370970 0.39306337330523 0.10490260597025 15.999 > 9 31 O 0.39809609629030 0.39306337330523 0.39509739402975 15.999 > 11 32 O 0.89809609629030 0.39306337330523 0.39509739402975 15.999 > 11 33 O 0.39809609629030 0.60693662669477 0.89509739402975 15.999 > 13 34 O 0.89809609629030 0.60693662669477 0.89509739402975 15.999 > 13 35 O 0.10190390370970 0.60693662669477 0.60490260597025 15.999 > 15 36 O 0.60190390370970 0.60693662669477 0.60490260597025 15.999 > 15 37 O 0.06598434753540 0.17133917075665 0.61833455043942 15.999 > 17 38 O 0.56598434753540 0.17133917075665 0.61833455043942 15.999 > 17 39 O 0.43401565246460 0.17133917075665 0.88166544956058 15.999 > 19 40 O 0.93401565246460 0.17133917075665 0.88166544956058 15.999 > 19 41 Na 0.41704370518175 0.84208324486292 0.92135655428321 22.990 > 41 42 Na 0.91704370518176 0.84208324486292 0.92135655428321 22.990 > 41 43 Na 0.08295629481824 0.84208324486292 0.57864344571679 22.990 > 43 44 Na 0.58295629481824 0.84208324486292 0.57864344571679 22.990 > 43 45 Na 0.33534610689476 0.88516961222949 0.54982460117186 22.990 > 45 46 Na 0.83534610689476 0.88516961222949 0.54982460117186 22.990 > 45 47 Na 0.16465389310524 0.88516961222949 0.95017539882814 22.990 > 47 48 Na 0.66465389310524 0.88516961222949 0.95017539882814 22.990 > 47 49 Na 0.16465389310524 0.11483038777050 0.45017539882814 22.990 > 49 50 Na 0.66465389310524 0.11483038777050 0.45017539882814 22.990 > 49 51 Na 0.33534610689476 0.11483038777050 0.04982460117186 22.990 > 51 52 Na 0.83534610689476 0.11483038777050 0.04982460117186 22.990 > 51 53 Na 0.25000000000000 0.83133456288952 0.25000000000000 22.990 > 53 54 Na 0.75000000000000 0.83133456288952 0.25000000000000 22.990 > 53 55 Na 0.25000000000000 0.16866543711048 0.75000000000000 22.990 > 55 56 Na 0.75000000000000 0.16866543711048 0.75000000000000 22.990 > 55 57 Na 0.41704370518175 0.15791675513708 0.42135655428321 22.990 > 57 58 Na 0.91704370518176 0.15791675513708 0.42135655428321 22.990 > 57 59 Na 0.08295629481824 0.15791675513708 0.07864344571679 22.990 > 59 60 Na 0.58295629481824 0.15791675513708 0.07864344571679 22.990 > 59 61 Na 0.16704370518175 0.34208324486292 0.92135655428321 22.990 > 41 62 Na 0.66704370518176 0.34208324486292 0.92135655428321 22.990 > 41 63 Na 0.33295629481825 0.34208324486292 0.57864344571679 22.990 > 43 64 Na 0.83295629481824 0.34208324486292 0.57864344571679 22.990 > 43 65 Na 0.08534610689476 0.38516961222949 0.54982460117186 22.990 > 45 66 Na 0.58534610689476 0.38516961222949 0.54982460117186 22.990 > 45 67 Na 0.41465389310524 0.38516961222949 0.95017539882814 22.990 > 47 68 Na 0.91465389310524 0.38516961222949 0.95017539882814 22.990 > 47 69 Na 0.41465389310524 0.61483038777051 0.45017539882814 22.990 > 49 70 Na 0.91465389310524 0.61483038777051 0.45017539882814 22.990 > 49 71 Na 0.08534610689476 0.61483038777051 0.04982460117186 22.990 > 51 72 Na 0.58534610689476 0.61483038777051 0.04982460117186 22.990 > 51 73 Na 0.00000000000000 0.33133456288952 0.25000000000000 22.990 > 53 74 Na 0.50000000000000 0.33133456288952 0.25000000000000 22.990 > 53 75 Na 0.00000000000000 0.66866543711048 0.75000000000000 22.990 > 55 76 Na 0.50000000000000 0.66866543711048 0.75000000000000 22.990 > 55 77 Na 0.16704370518175 0.65791675513708 0.42135655428321 22.990 > 57 78 Na 0.66704370518176 0.65791675513708 0.42135655428321 22.990 > 57 79 Na 0.33295629481825 0.65791675513708 0.07864344571679 22.990 > 59 80 Na 0.83295629481824 0.65791675513708 0.07864344571679 22.990 > 59 81 Ta 0.25000000000000 0.40767393545728 0.25000000000000 180.948 > 81 82 Ta 0.75000000000000 0.40767393545728 0.25000000000000 180.948 > 81 83 Ta 0.25000000000000 0.59232606454272 0.75000000000000 180.948 > 83 84 Ta 0.75000000000000 0.59232606454272 0.75000000000000 180.948 > 83 85 Ta 0.00000000000000 0.90767393545728 0.25000000000000 180.948 > 81 86 Ta 0.50000000000000 0.90767393545728 0.25000000000000 180.948 > 81 87 Ta 0.00000000000000 0.09232606454272 0.75000000000000 180.948 > 83 88 Ta 0.50000000000000 0.09232606454272 0.75000000000000 180.948 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0156281 0.0000000 0.1152871 0.0000000 2.7996020 0.0000000 0.1152801 0.0000000 3.0704232 -------------------------- Born effective charges -------------------------- 1 O -1.0149680 0.0000000 -0.1582535 0.0000000 -2.8413082 0.0000000 -0.1513048 0.0000000 -1.1016082 2 O -1.0149680 0.0000000 -0.1582535 0.0000000 -2.8413082 0.0000000 -0.1513048 0.0000000 -1.1016082 3 O -2.0156956 -0.5338029 0.6123199 -0.5462802 -1.2984111 0.4600846 0.6288514 0.5979496 -2.1074681 4 O -2.0156956 0.5338029 0.6123199 0.5462802 -1.2984111 -0.4600846 0.6288514 -0.5979496 -2.1074681 5 O -2.3144684 -0.1230734 -0.9617384 -0.0931043 -1.2902393 -0.0456393 -0.9837752 -0.1343998 -2.2780999 6 O -2.3144684 0.1230734 -0.9617384 0.0931043 -1.2902393 0.0456393 -0.9837752 0.1343998 -2.2780999 7 O -2.3144684 -0.1230734 -0.9617384 -0.0931043 -1.2902393 -0.0456393 -0.9837752 -0.1343998 -2.2780999 8 O -2.3144684 0.1230734 -0.9617384 0.0931043 -1.2902393 0.0456393 -0.9837752 0.1343998 -2.2780999 9 O -2.0156956 -0.5338029 0.6123199 -0.5462802 -1.2984111 0.4600846 0.6288514 0.5979496 -2.1074681 10 O -2.0156956 0.5338029 0.6123199 0.5462802 -1.2984111 -0.4600846 0.6288514 -0.5979496 -2.1074681 11 Na 0.8575458 0.1744335 -0.0576257 0.1889569 1.0703072 0.0028633 -0.0422973 0.0760233 1.0948374 12 Na 0.8575458 -0.1744335 -0.0576257 -0.1889569 1.0703072 -0.0028633 -0.0422973 -0.0760233 1.0948374 13 Na 1.0929236 0.1400118 0.0526612 0.1381621 1.0457768 0.0983511 0.0681481 0.0475057 1.0637551 14 Na 1.0929236 -0.1400118 0.0526612 -0.1381621 1.0457768 -0.0983511 0.0681481 -0.0475057 1.0637551 15 Na 1.0929236 0.1400118 0.0526612 0.1381621 1.0457768 0.0983511 0.0681481 0.0475057 1.0637551 16 Na 1.0929236 -0.1400118 0.0526612 -0.1381621 1.0457768 -0.0983511 0.0681481 -0.0475057 1.0637551 17 Na 1.2478767 0.0000000 -0.0196919 0.0000000 0.9826382 0.0000000 -0.0447068 0.0000000 0.7814562 18 Na 1.2478767 0.0000000 -0.0196919 0.0000000 0.9826382 0.0000000 -0.0447068 0.0000000 0.7814562 19 Na 0.8575458 -0.1744335 -0.0576257 -0.1889569 1.0703072 -0.0028633 -0.0422973 -0.0760233 1.0948374 20 Na 0.8575458 0.1744335 -0.0576257 0.1889569 1.0703072 0.0028633 -0.0422973 0.0760233 1.0948374 21 Ta 4.5264807 0.0000000 0.8867114 0.0000000 2.8038029 0.0000000 0.8541576 0.0000000 4.7741027 22 Ta 4.5264807 0.0000000 0.8867114 0.0000000 2.8038029 0.0000000 0.8541576 0.0000000 4.7741027 ---------------------------------------------------------------------------- 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 5, 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 9, 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 41, 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:06:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:06:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 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 3.142799700020930 -5.109625519999999 0.000000000000000 b 3.142799700020930 5.109625519999999 0.000000000000000 c -2.895708079696017 0.000000000000000 9.595451571852486 Atomic positions (fractional): 1 O 0.90656168334280 0.09343831665720 0.25000000000000 15.999 2 O 0.09343831665720 0.90656168334280 0.75000000000000 15.999 3 O 0.03937047568584 0.69669213417254 0.38166544956058 15.999 4 O 0.30330786582746 0.96062952431416 0.11833455043942 15.999 5 O 0.81074443411416 0.59687118072462 0.10490260597025 15.999 6 O 0.40312881927538 0.18925556588584 0.39509739402975 15.999 7 O 0.18925556588584 0.40312881927538 0.89509739402975 15.999 8 O 0.59687118072462 0.81074443411416 0.60490260597025 15.999 9 O 0.96062952431416 0.30330786582745 0.61833455043942 15.999 10 O 0.69669213417255 0.03937047568584 0.88166544956058 15.999 11 Na 0.99200416550059 0.67617065522643 0.92135655428321 22.990 12 Na 0.32382934477357 0.00799583449941 0.57864344571679 22.990 13 Na 0.78552260156002 0.55586182601901 0.54982460117186 22.990 14 Na 0.44413817398099 0.21447739843998 0.95017539882814 22.990 15 Na 0.21447739843998 0.44413817398099 0.45017539882814 22.990 16 Na 0.55586182601901 0.78552260156002 0.04982460117186 22.990 17 Na 0.66866543711048 0.33133456288952 0.25000000000000 22.990 18 Na 0.33133456288952 0.66866543711048 0.75000000000000 22.990 19 Na 0.67617065522643 0.99200416550059 0.42135655428321 22.990 20 Na 0.00799583449941 0.32382934477357 0.07864344571679 22.990 21 Ta 0.09232606454272 0.90767393545728 0.25000000000000 180.948 22 Ta 0.90767393545728 0.09232606454272 0.75000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.571198800083719 0.000000000000000 0.000000000000000 b 0.000000000000000 10.219251039999998 0.000000000000000 c -2.895708079696017 0.000000000000000 9.595451571852486 Atomic positions (fractional): 1 O 0.25000000000000 0.59343831665720 0.25000000000000 15.999 > 1 2 O 0.75000000000000 0.59343831665720 0.25000000000000 15.999 > 1 3 O 0.25000000000000 0.40656168334280 0.75000000000000 15.999 > 3 4 O 0.75000000000000 0.40656168334280 0.75000000000000 15.999 > 3 5 O 0.18401565246460 0.32866082924335 0.38166544956058 15.999 > 5 6 O 0.68401565246460 0.32866082924335 0.38166544956058 15.999 > 5 7 O 0.31598434753540 0.32866082924335 0.11833455043942 15.999 > 7 8 O 0.81598434753540 0.32866082924335 0.11833455043942 15.999 > 7 9 O 0.35190390370970 0.89306337330523 0.10490260597025 15.999 > 9 10 O 0.85190390370970 0.89306337330523 0.10490260597025 15.999 > 9 11 O 0.14809609629030 0.89306337330523 0.39509739402975 15.999 > 11 12 O 0.64809609629030 0.89306337330523 0.39509739402975 15.999 > 11 13 O 0.14809609629030 0.10693662669477 0.89509739402975 15.999 > 13 14 O 0.64809609629030 0.10693662669477 0.89509739402975 15.999 > 13 15 O 0.35190390370970 0.10693662669477 0.60490260597025 15.999 > 15 16 O 0.85190390370970 0.10693662669477 0.60490260597025 15.999 > 15 17 O 0.31598434753540 0.67133917075665 0.61833455043942 15.999 > 17 18 O 0.81598434753540 0.67133917075665 0.61833455043942 15.999 > 17 19 O 0.18401565246460 0.67133917075665 0.88166544956058 15.999 > 19 20 O 0.68401565246460 0.67133917075665 0.88166544956058 15.999 > 19 21 O 0.00000000000000 0.09343831665720 0.25000000000000 15.999 > 1 22 O 0.50000000000000 0.09343831665720 0.25000000000000 15.999 > 1 23 O 0.00000000000000 0.90656168334280 0.75000000000000 15.999 > 3 24 O 0.50000000000000 0.90656168334280 0.75000000000000 15.999 > 3 25 O 0.43401565246460 0.82866082924335 0.38166544956058 15.999 > 5 26 O 0.93401565246460 0.82866082924335 0.38166544956058 15.999 > 5 27 O 0.06598434753540 0.82866082924335 0.11833455043942 15.999 > 7 28 O 0.56598434753540 0.82866082924335 0.11833455043942 15.999 > 7 29 O 0.10190390370970 0.39306337330523 0.10490260597025 15.999 > 9 30 O 0.60190390370970 0.39306337330523 0.10490260597025 15.999 > 9 31 O 0.39809609629030 0.39306337330523 0.39509739402975 15.999 > 11 32 O 0.89809609629030 0.39306337330523 0.39509739402975 15.999 > 11 33 O 0.39809609629030 0.60693662669477 0.89509739402975 15.999 > 13 34 O 0.89809609629030 0.60693662669477 0.89509739402975 15.999 > 13 35 O 0.10190390370970 0.60693662669477 0.60490260597025 15.999 > 15 36 O 0.60190390370970 0.60693662669477 0.60490260597025 15.999 > 15 37 O 0.06598434753540 0.17133917075665 0.61833455043942 15.999 > 17 38 O 0.56598434753540 0.17133917075665 0.61833455043942 15.999 > 17 39 O 0.43401565246460 0.17133917075665 0.88166544956058 15.999 > 19 40 O 0.93401565246460 0.17133917075665 0.88166544956058 15.999 > 19 41 Na 0.41704370518175 0.84208324486292 0.92135655428321 22.990 > 41 42 Na 0.91704370518176 0.84208324486292 0.92135655428321 22.990 > 41 43 Na 0.08295629481824 0.84208324486292 0.57864344571679 22.990 > 43 44 Na 0.58295629481824 0.84208324486292 0.57864344571679 22.990 > 43 45 Na 0.33534610689476 0.88516961222949 0.54982460117186 22.990 > 45 46 Na 0.83534610689476 0.88516961222949 0.54982460117186 22.990 > 45 47 Na 0.16465389310524 0.88516961222949 0.95017539882814 22.990 > 47 48 Na 0.66465389310524 0.88516961222949 0.95017539882814 22.990 > 47 49 Na 0.16465389310524 0.11483038777050 0.45017539882814 22.990 > 49 50 Na 0.66465389310524 0.11483038777050 0.45017539882814 22.990 > 49 51 Na 0.33534610689476 0.11483038777050 0.04982460117186 22.990 > 51 52 Na 0.83534610689476 0.11483038777050 0.04982460117186 22.990 > 51 53 Na 0.25000000000000 0.83133456288952 0.25000000000000 22.990 > 53 54 Na 0.75000000000000 0.83133456288952 0.25000000000000 22.990 > 53 55 Na 0.25000000000000 0.16866543711048 0.75000000000000 22.990 > 55 56 Na 0.75000000000000 0.16866543711048 0.75000000000000 22.990 > 55 57 Na 0.41704370518175 0.15791675513708 0.42135655428321 22.990 > 57 58 Na 0.91704370518176 0.15791675513708 0.42135655428321 22.990 > 57 59 Na 0.08295629481824 0.15791675513708 0.07864344571679 22.990 > 59 60 Na 0.58295629481824 0.15791675513708 0.07864344571679 22.990 > 59 61 Na 0.16704370518175 0.34208324486292 0.92135655428321 22.990 > 41 62 Na 0.66704370518176 0.34208324486292 0.92135655428321 22.990 > 41 63 Na 0.33295629481825 0.34208324486292 0.57864344571679 22.990 > 43 64 Na 0.83295629481824 0.34208324486292 0.57864344571679 22.990 > 43 65 Na 0.08534610689476 0.38516961222949 0.54982460117186 22.990 > 45 66 Na 0.58534610689476 0.38516961222949 0.54982460117186 22.990 > 45 67 Na 0.41465389310524 0.38516961222949 0.95017539882814 22.990 > 47 68 Na 0.91465389310524 0.38516961222949 0.95017539882814 22.990 > 47 69 Na 0.41465389310524 0.61483038777051 0.45017539882814 22.990 > 49 70 Na 0.91465389310524 0.61483038777051 0.45017539882814 22.990 > 49 71 Na 0.08534610689476 0.61483038777051 0.04982460117186 22.990 > 51 72 Na 0.58534610689476 0.61483038777051 0.04982460117186 22.990 > 51 73 Na 0.00000000000000 0.33133456288952 0.25000000000000 22.990 > 53 74 Na 0.50000000000000 0.33133456288952 0.25000000000000 22.990 > 53 75 Na 0.00000000000000 0.66866543711048 0.75000000000000 22.990 > 55 76 Na 0.50000000000000 0.66866543711048 0.75000000000000 22.990 > 55 77 Na 0.16704370518175 0.65791675513708 0.42135655428321 22.990 > 57 78 Na 0.66704370518176 0.65791675513708 0.42135655428321 22.990 > 57 79 Na 0.33295629481825 0.65791675513708 0.07864344571679 22.990 > 59 80 Na 0.83295629481824 0.65791675513708 0.07864344571679 22.990 > 59 81 Ta 0.25000000000000 0.40767393545728 0.25000000000000 180.948 > 81 82 Ta 0.75000000000000 0.40767393545728 0.25000000000000 180.948 > 81 83 Ta 0.25000000000000 0.59232606454272 0.75000000000000 180.948 > 83 84 Ta 0.75000000000000 0.59232606454272 0.75000000000000 180.948 > 83 85 Ta 0.00000000000000 0.90767393545728 0.25000000000000 180.948 > 81 86 Ta 0.50000000000000 0.90767393545728 0.25000000000000 180.948 > 81 87 Ta 0.00000000000000 0.09232606454272 0.75000000000000 180.948 > 83 88 Ta 0.50000000000000 0.09232606454272 0.75000000000000 180.948 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0156281 0.0000000 0.1152871 0.0000000 2.7996020 0.0000000 0.1152801 0.0000000 3.0704232 -------------------------- Born effective charges -------------------------- 1 O -1.0149680 0.0000000 -0.1582535 0.0000000 -2.8413082 0.0000000 -0.1513048 0.0000000 -1.1016082 2 O -1.0149680 0.0000000 -0.1582535 0.0000000 -2.8413082 0.0000000 -0.1513048 0.0000000 -1.1016082 3 O -2.0156956 -0.5338029 0.6123199 -0.5462802 -1.2984111 0.4600846 0.6288514 0.5979496 -2.1074681 4 O -2.0156956 0.5338029 0.6123199 0.5462802 -1.2984111 -0.4600846 0.6288514 -0.5979496 -2.1074681 5 O -2.3144684 -0.1230734 -0.9617384 -0.0931043 -1.2902393 -0.0456393 -0.9837752 -0.1343998 -2.2780999 6 O -2.3144684 0.1230734 -0.9617384 0.0931043 -1.2902393 0.0456393 -0.9837752 0.1343998 -2.2780999 7 O -2.3144684 -0.1230734 -0.9617384 -0.0931043 -1.2902393 -0.0456393 -0.9837752 -0.1343998 -2.2780999 8 O -2.3144684 0.1230734 -0.9617384 0.0931043 -1.2902393 0.0456393 -0.9837752 0.1343998 -2.2780999 9 O -2.0156956 -0.5338029 0.6123199 -0.5462802 -1.2984111 0.4600846 0.6288514 0.5979496 -2.1074681 10 O -2.0156956 0.5338029 0.6123199 0.5462802 -1.2984111 -0.4600846 0.6288514 -0.5979496 -2.1074681 11 Na 0.8575458 0.1744335 -0.0576257 0.1889569 1.0703072 0.0028633 -0.0422973 0.0760233 1.0948374 12 Na 0.8575458 -0.1744335 -0.0576257 -0.1889569 1.0703072 -0.0028633 -0.0422973 -0.0760233 1.0948374 13 Na 1.0929236 0.1400118 0.0526612 0.1381621 1.0457768 0.0983511 0.0681481 0.0475057 1.0637551 14 Na 1.0929236 -0.1400118 0.0526612 -0.1381621 1.0457768 -0.0983511 0.0681481 -0.0475057 1.0637551 15 Na 1.0929236 0.1400118 0.0526612 0.1381621 1.0457768 0.0983511 0.0681481 0.0475057 1.0637551 16 Na 1.0929236 -0.1400118 0.0526612 -0.1381621 1.0457768 -0.0983511 0.0681481 -0.0475057 1.0637551 17 Na 1.2478767 0.0000000 -0.0196919 0.0000000 0.9826382 0.0000000 -0.0447068 0.0000000 0.7814562 18 Na 1.2478767 0.0000000 -0.0196919 0.0000000 0.9826382 0.0000000 -0.0447068 0.0000000 0.7814562 19 Na 0.8575458 -0.1744335 -0.0576257 -0.1889569 1.0703072 -0.0028633 -0.0422973 -0.0760233 1.0948374 20 Na 0.8575458 0.1744335 -0.0576257 0.1889569 1.0703072 0.0028633 -0.0422973 0.0760233 1.0948374 21 Ta 4.5264807 0.0000000 0.8867114 0.0000000 2.8038029 0.0000000 0.8541576 0.0000000 4.7741027 22 Ta 4.5264807 0.0000000 0.8867114 0.0000000 2.8038029 0.0000000 0.8541576 0.0000000 4.7741027 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (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 ... [ 10 10 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.61, Number of G-points: 301, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/141) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 141 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 2.387 ( 0.000 0.000 0.000) 0.000 2.576 ( 0.000 0.000 0.000) 0.000 2.761 ( 0.000 0.000 0.000) 0.000 3.420 ( 0.000 0.000 0.000) 0.000 3.538 ( 0.000 0.000 0.000) 0.000 3.595 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.790 ( 0.000 0.000 0.000) 0.000 4.151 ( 0.000 0.000 0.000) 0.000 4.282 ( 0.000 0.000 0.000) 0.000 4.453 ( 0.000 0.000 0.000) 0.000 4.467 ( 0.000 0.000 0.000) 0.000 4.748 ( 0.000 0.000 0.000) 0.000 4.993 ( 0.000 0.000 0.000) 0.000 5.194 ( 0.000 0.000 0.000) 0.000 5.440 ( 0.000 0.000 0.000) 0.000 5.543 ( 0.000 0.000 0.000) 0.000 5.599 ( 0.000 0.000 0.000) 0.000 5.851 ( 0.000 0.000 0.000) 0.000 6.171 ( 0.000 0.000 0.000) 0.000 6.179 ( 0.000 0.000 0.000) 0.000 6.292 ( 0.000 0.000 0.000) 0.000 6.391 ( 0.000 0.000 0.000) 0.000 6.521 ( 0.000 0.000 0.000) 0.000 6.593 ( 0.000 0.000 0.000) 0.000 6.643 ( 0.000 0.000 0.000) 0.000 6.929 ( 0.000 0.000 0.000) 0.000 7.071 ( 0.000 0.000 0.000) 0.000 7.117 ( 0.000 0.000 0.000) 0.000 7.629 ( 0.000 0.000 0.000) 0.000 7.672 ( 0.000 0.000 0.000) 0.000 7.817 ( 0.000 0.000 0.000) 0.000 7.914 ( 0.000 0.000 0.000) 0.000 8.059 ( 0.000 0.000 0.000) 0.000 8.062 ( 0.000 0.000 0.000) 0.000 8.073 ( 0.000 0.000 0.000) 0.000 8.178 ( 0.000 0.000 0.000) 0.000 8.793 ( 0.000 0.000 0.000) 0.000 8.847 ( 0.000 0.000 0.000) 0.000 8.939 ( 0.000 0.000 0.000) 0.000 9.033 ( 0.000 0.000 0.000) 0.000 9.595 ( 0.000 0.000 0.000) 0.000 9.957 ( 0.000 0.000 0.000) 0.000 9.975 ( 0.000 0.000 0.000) 0.000 10.498 ( 0.000 0.000 0.000) 0.000 10.659 ( 0.000 0.000 0.000) 0.000 10.867 ( 0.000 0.000 0.000) 0.000 11.354 ( 0.000 0.000 0.000) 0.000 11.830 ( 0.000 0.000 0.000) 0.000 11.847 ( 0.000 0.000 0.000) 0.000 12.780 ( 0.000 0.000 0.000) 0.000 13.669 ( 0.000 0.000 0.000) 0.000 14.134 ( 0.000 0.000 0.000) 0.000 14.435 ( 0.000 0.000 0.000) 0.000 15.479 ( 0.000 0.000 0.000) 0.000 16.035 ( 0.000 0.000 0.000) 0.000 16.043 ( 0.000 0.000 0.000) 0.000 17.988 ( 0.000 0.000 0.000) 0.000 19.193 ( 0.000 0.000 0.000) 0.000 19.520 ( 0.000 0.000 0.000) 0.000 20.066 ( 0.000 0.000 0.000) 0.000 22.396 ( 0.000 0.000 0.000) 0.000 22.516 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/141) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 25.637 -6.608 5.552) 27.051 0.560 ( 21.878 -12.703 18.786) 31.511 0.998 ( 46.186 -20.083 9.117) 51.182 2.406 ( -0.126 -3.646 -4.265) 5.613 2.638 ( 7.132 5.024 0.804) 8.761 2.728 ( 2.311 -1.475 -9.811) 10.186 3.321 ( -1.237 14.120 3.206) 14.532 3.561 ( 4.820 4.236 1.404) 6.568 3.678 ( 7.356 -4.322 -0.329) 8.538 3.785 ( -3.974 -6.327 2.201) 7.789 3.869 ( 3.401 -3.302 -4.439) 6.494 4.124 ( 3.199 3.932 -1.709) 5.349 4.434 ( 7.460 1.091 4.403) 8.731 4.466 ( -0.018 -4.257 -1.132) 4.405 4.611 ( 0.131 -9.951 -5.426) 11.335 4.781 ( -9.448 -11.515 -7.248) 16.565 5.007 ( 2.074 -1.553 -4.099) 4.849 5.160 ( -2.491 2.582 0.071) 3.588 5.392 ( -5.962 4.832 0.418) 7.686 5.604 ( -2.759 -1.464 -3.037) 4.357 5.625 ( 3.331 -0.983 5.320) 6.353 5.840 ( -1.121 1.533 1.816) 2.628 6.070 ( -5.022 8.432 -1.559) 9.937 6.188 ( -0.086 -0.931 -1.337) 1.631 6.317 ( 0.069 -0.104 0.836) 0.845 6.375 ( -3.677 1.432 -8.543) 9.410 6.525 ( 2.617 -2.420 2.806) 4.536 6.532 ( -6.313 1.935 -3.420) 7.436 6.682 ( -0.785 -1.072 6.827) 6.955 6.987 ( 2.533 2.785 -8.795) 9.567 7.098 ( 1.212 2.589 -2.055) 3.521 7.143 ( 5.428 2.884 5.848) 8.484 7.580 ( -6.397 -1.950 -2.502) 7.140 7.675 ( -9.977 2.837 2.409) 10.649 7.797 ( -7.548 -8.362 7.332) 13.440 7.888 ( -1.013 4.123 -0.411) 4.266 7.952 ( -1.764 -2.135 -1.333) 3.074 8.073 ( -1.606 -2.063 4.606) 5.296 8.228 ( 4.255 -0.807 -0.435) 4.353 8.293 ( 12.551 -1.343 -0.879) 12.653 8.760 ( 0.825 2.160 -1.980) 3.044 8.929 ( 1.953 0.780 0.845) 2.267 8.955 ( 6.269 -0.799 3.163) 7.066 9.198 ( 2.528 6.954 3.331) 8.115 9.653 ( 2.474 0.377 -1.808) 3.088 9.973 ( 0.135 0.297 -0.649) 0.727 10.026 ( -6.331 -9.969 -3.068) 12.201 10.629 ( -2.597 0.441 -2.885) 3.906 10.895 ( 3.056 -1.811 -2.911) 4.593 11.328 ( -10.594 -1.735 35.400) 36.992 11.428 ( 3.859 -0.261 -12.583) 13.164 11.857 ( 2.528 -0.116 3.038) 3.954 12.758 ( -2.588 -0.325 -1.151) 2.851 12.774 ( 6.838 20.253 9.099) 23.232 13.681 ( 2.066 -0.048 -2.321) 3.108 14.088 ( -5.786 0.434 -1.061) 5.898 15.319 ( -13.951 2.736 -5.190) 15.135 15.922 ( 3.756 41.359 59.689) 72.715 16.109 ( 4.281 14.646 32.335) 35.754 16.232 ( 4.977 20.497 60.339) 63.920 18.518 ( 54.871 62.669 -56.027) 100.385 19.232 ( 2.440 -3.811 -0.409) 4.544 19.969 ( -11.265 -0.558 -0.139) 11.280 20.664 ( -24.527 -68.464 -36.551) 81.394 22.419 ( -1.255 -3.716 -1.427) 4.173 22.522 ( 0.236 -0.704 0.491) 0.890 ======================= Grid point 2 (3/141) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 23.819 -5.134 4.362) 24.754 1.122 ( 22.578 -12.202 16.242) 30.372 1.922 ( 40.218 -17.596 8.412) 44.698 2.363 ( -6.673 1.407 -5.374) 8.683 2.577 ( 4.467 1.144 -21.373) 21.865 2.913 ( 14.924 2.160 4.443) 15.720 3.219 ( 0.937 9.504 9.286) 13.320 3.608 ( -1.990 2.862 -1.148) 3.670 3.681 ( 2.476 -1.380 -6.093) 6.720 3.877 ( 7.773 -2.086 1.199) 8.137 4.021 ( 6.831 -6.217 2.310) 9.521 4.182 ( 4.175 -1.178 5.895) 7.319 4.467 ( -1.629 -3.892 -1.492) 4.475 4.564 ( -3.950 -7.970 0.640) 8.919 4.667 ( 1.500 -3.111 0.884) 3.565 4.752 ( 0.100 -4.469 -0.570) 4.506 5.057 ( 0.708 -0.666 -3.727) 3.851 5.094 ( 1.783 -1.010 -1.808) 2.733 5.248 ( -4.722 6.218 0.329) 7.815 5.548 ( -1.158 2.805 -3.664) 4.758 5.684 ( 1.342 2.708 2.504) 3.925 5.811 ( -1.419 2.329 2.915) 3.992 5.911 ( -3.756 6.739 -1.608) 7.881 6.090 ( -8.770 1.931 -6.912) 11.332 6.236 ( -7.274 2.610 -4.264) 8.826 6.338 ( 1.128 -1.288 -2.208) 2.794 6.420 ( -1.902 -0.705 -1.724) 2.662 6.593 ( 1.442 0.025 1.282) 1.929 6.724 ( 0.665 0.134 7.936) 7.965 6.923 ( 0.924 6.992 -7.059) 9.979 7.070 ( 1.278 6.433 -1.421) 6.711 7.228 ( 4.230 -0.137 2.294) 4.813 7.448 ( -12.355 0.334 -2.131) 12.542 7.521 ( -5.783 -1.358 4.034) 7.181 7.810 ( -3.903 -4.681 4.105) 7.348 7.867 ( 0.157 -3.087 -0.735) 3.177 7.927 ( -0.970 0.172 -4.002) 4.121 8.101 ( -1.302 -2.758 4.216) 5.204 8.283 ( 0.971 -1.047 0.638) 1.564 8.429 ( 1.507 -2.071 3.074) 4.002 8.772 ( 7.602 7.173 -5.832) 11.969 8.920 ( -3.358 -1.107 4.182) 5.477 9.135 ( 12.766 0.690 1.187) 12.839 9.231 ( 7.250 3.288 3.213) 8.585 9.676 ( 0.957 -2.353 -4.627) 5.279 9.960 ( -1.948 0.136 0.692) 2.071 10.025 ( 1.160 -1.414 -0.436) 1.880 10.542 ( -4.576 1.649 -4.869) 6.882 10.957 ( 3.328 -3.564 -5.163) 7.102 11.349 ( -5.052 -2.072 16.778) 17.644 11.437 ( 1.799 -1.102 -5.053) 5.475 11.943 ( 5.396 0.054 6.230) 8.243 12.692 ( -4.084 0.958 -2.452) 4.859 12.717 ( -0.311 9.413 6.924) 11.690 13.708 ( 2.881 0.114 -3.773) 4.749 13.946 ( -9.239 1.617 -2.470) 9.699 15.011 ( -15.163 3.247 -8.988) 17.924 15.892 ( 3.497 24.462 38.345) 45.617 16.175 ( 2.730 4.885 11.284) 12.595 16.410 ( 7.793 4.415 19.637) 21.583 18.507 ( 25.740 29.669 -27.112) 47.727 19.320 ( 2.389 -5.516 -1.526) 6.202 19.760 ( -14.061 1.667 3.699) 14.635 20.777 ( -7.041 -29.423 -13.312) 33.053 22.433 ( 0.046 -2.494 -1.427) 2.874 22.540 ( 0.260 -1.253 0.857) 1.540 ======================= Grid point 3 (4/141) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 20.984 -4.021 3.163) 21.599 1.656 ( 21.032 -10.167 13.024) 26.746 2.115 ( -7.795 9.970 -14.967) 19.600 2.561 ( 11.734 -5.961 -4.864) 14.031 2.723 ( 22.288 -11.023 0.464) 24.870 3.087 ( 5.656 2.227 7.082) 9.333 3.247 ( 4.394 3.607 2.102) 6.061 3.517 ( 2.147 2.272 -1.430) 3.438 3.796 ( 6.724 -2.241 -0.712) 7.123 3.948 ( 0.144 0.376 -0.438) 0.595 4.180 ( 6.674 -0.736 3.023) 7.363 4.299 ( 0.146 -3.308 4.762) 5.800 4.506 ( -3.652 -7.484 -5.092) 9.761 4.518 ( 0.021 -4.729 4.071) 6.240 4.693 ( -0.447 -0.345 0.882) 1.047 4.838 ( -0.144 -7.072 2.644) 7.551 5.007 ( 1.596 1.392 -1.974) 2.895 5.140 ( -0.516 5.579 1.838) 5.896 5.269 ( 9.406 -7.078 -2.594) 12.054 5.491 ( 0.507 4.425 -1.529) 4.709 5.616 ( -3.871 9.220 -0.061) 10.000 5.669 ( -6.254 8.901 -6.623) 12.736 5.889 ( -1.216 0.805 1.752) 2.279 5.913 ( -4.897 -2.658 -2.508) 6.111 6.060 ( -7.315 2.813 -2.431) 8.205 6.314 ( -3.383 0.715 -2.170) 4.082 6.465 ( 3.780 -1.306 2.314) 4.621 6.599 ( 0.892 -0.111 -5.341) 5.416 6.726 ( -4.594 1.679 7.111) 8.631 6.845 ( 4.216 6.744 -10.173) 12.913 7.030 ( -0.902 3.814 3.366) 5.167 7.212 ( -6.924 2.886 1.926) 7.744 7.331 ( -0.137 -1.942 0.628) 2.046 7.479 ( -4.592 -2.460 1.370) 5.386 7.795 ( -0.253 4.221 4.936) 6.500 7.876 ( -1.941 -1.760 -2.763) 3.808 7.948 ( 1.803 -7.534 -4.731) 9.077 8.106 ( -3.566 -2.001 3.466) 5.360 8.296 ( -0.986 -2.143 1.066) 2.588 8.438 ( -3.921 -2.381 2.999) 5.481 8.750 ( 2.712 7.836 -7.068) 10.895 8.905 ( -2.289 1.122 7.744) 8.153 9.335 ( 12.847 0.948 -1.414) 12.960 9.389 ( 12.726 1.940 2.573) 13.127 9.692 ( 0.149 -3.789 -3.786) 5.358 9.921 ( -2.351 0.151 -0.240) 2.368 10.087 ( 4.956 0.306 1.904) 5.318 10.414 ( -5.028 3.112 -5.421) 8.022 11.003 ( 0.473 -4.525 -5.877) 7.432 11.364 ( -3.050 -1.536 8.424) 9.090 11.457 ( 0.737 -1.819 -1.499) 2.470 12.077 ( 6.586 0.707 8.902) 11.095 12.598 ( -3.921 0.924 -4.409) 5.972 12.652 ( -2.268 5.565 5.732) 8.305 13.717 ( -0.215 1.120 -3.917) 4.080 13.776 ( -6.376 0.452 -4.093) 7.590 14.721 ( -11.798 2.593 -7.989) 14.482 15.921 ( 3.687 15.414 30.029) 33.955 16.207 ( 1.717 1.104 -0.177) 2.049 16.569 ( 6.755 0.475 7.772) 10.308 18.500 ( 15.411 17.153 -16.445) 28.323 19.336 ( -6.668 -1.997 -2.197) 7.299 19.596 ( -5.609 -0.282 6.307) 8.445 20.877 ( -2.268 -15.105 -5.873) 16.365 22.454 ( 0.655 -1.868 -1.342) 2.391 22.560 ( 0.024 -1.364 0.981) 1.681 ======================= Grid point 4 (5/141) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 13.712 -1.414 0.357) 13.790 1.846 ( -4.268 6.280 -6.965) 10.304 2.094 ( 15.613 -6.213 5.969) 17.832 2.674 ( 3.377 -0.840 -4.684) 5.836 2.969 ( -3.040 -4.449 -2.053) 5.766 3.209 ( 5.273 -2.387 9.463) 11.093 3.334 ( 11.220 3.216 -2.415) 11.919 3.614 ( 6.754 -0.294 0.655) 6.792 3.875 ( 0.714 -3.877 -1.659) 4.277 3.950 ( 2.341 0.808 3.732) 4.479 4.189 ( -7.114 4.701 2.057) 8.772 4.325 ( 4.180 0.494 0.743) 4.274 4.449 ( -6.393 -5.935 -2.579) 9.096 4.643 ( 2.092 -6.592 2.932) 7.512 4.798 ( 10.415 -1.683 -0.435) 10.560 4.896 ( 0.328 -8.321 -1.678) 8.495 5.050 ( -0.240 -0.743 4.720) 4.784 5.135 ( 3.056 1.772 3.018) 4.646 5.329 ( -7.849 13.932 -3.981) 16.479 5.397 ( 1.565 -0.452 -3.467) 3.831 5.474 ( -1.942 8.156 -5.720) 10.150 5.576 ( 2.870 -4.378 0.169) 5.237 5.800 ( -3.461 -1.792 -1.244) 4.091 5.918 ( -1.237 4.159 1.201) 4.502 6.014 ( 1.145 -3.878 3.891) 5.611 6.222 ( -1.521 4.652 -2.886) 5.682 6.502 ( -5.617 0.880 0.051) 5.685 6.579 ( 0.864 -2.293 -2.907) 3.802 6.662 ( -1.851 0.656 0.478) 2.021 6.836 ( 5.717 2.881 -9.193) 11.202 6.952 ( -7.719 0.437 5.941) 9.751 7.162 ( 1.982 3.449 4.034) 5.666 7.344 ( -0.321 -0.161 1.449) 1.492 7.427 ( -4.713 -1.612 -0.636) 5.022 7.794 ( 2.572 3.270 1.755) 4.515 7.857 ( 1.013 0.456 -2.170) 2.438 7.988 ( -4.528 -4.117 -1.471) 6.294 8.091 ( -0.416 -2.873 0.696) 2.985 8.318 ( 0.112 -3.046 0.307) 3.064 8.402 ( -3.699 -0.727 2.382) 4.460 8.675 ( -0.557 4.153 -3.770) 5.636 8.885 ( -1.523 2.413 4.832) 5.611 9.498 ( 9.500 1.235 -1.248) 9.661 9.561 ( 8.469 1.371 -1.222) 8.665 9.718 ( -1.169 -2.833 2.740) 4.111 9.901 ( 0.514 -1.779 -2.684) 3.261 10.171 ( 3.588 0.594 3.641) 5.146 10.285 ( -3.243 3.560 -5.103) 7.017 11.006 ( -1.613 -3.511 -4.085) 5.623 11.364 ( -1.788 -0.818 3.360) 3.893 11.476 ( 0.160 -1.314 -0.240) 1.345 12.192 ( 3.114 1.436 8.273) 8.955 12.531 ( -0.096 -0.864 -7.658) 7.707 12.595 ( -2.733 3.686 5.933) 7.500 13.636 ( -3.478 -0.454 -2.065) 4.070 13.726 ( -0.323 1.108 -3.864) 4.033 14.525 ( -6.470 1.380 -4.174) 7.823 15.981 ( 2.576 8.017 19.971) 21.674 16.208 ( 0.741 -0.277 -5.070) 5.132 16.683 ( 4.078 -0.697 2.347) 4.756 18.506 ( 8.708 8.530 -8.826) 15.049 19.179 ( -9.710 0.882 1.162) 9.819 19.611 ( 0.485 -1.914 2.509) 3.193 20.941 ( -0.605 -6.593 -2.331) 7.019 22.474 ( 0.654 -1.040 -0.880) 1.511 22.574 ( -0.172 -0.883 0.708) 1.145 ======================= Grid point 5 (6/141) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 0.000 -0.000 0.000) 0.000 1.913 ( 0.000 -0.000 -0.000) 0.000 2.290 ( 0.000 -0.000 -0.000) 0.000 2.656 ( 0.000 -0.000 0.000) 0.000 2.959 ( 0.000 -0.000 0.000) 0.000 3.286 ( 0.000 -0.000 -0.000) 0.000 3.407 ( 0.000 -0.000 0.000) 0.000 3.664 ( 0.000 -0.000 -0.000) 0.000 3.977 ( 0.000 -0.000 -0.000) 0.000 3.985 ( 0.000 -0.000 -0.000) 0.000 4.018 ( -0.000 0.000 -0.000) 0.000 4.384 ( 0.000 0.000 0.000) 0.000 4.396 ( -0.000 -0.000 -0.000) 0.000 4.729 ( 0.000 -0.000 0.000) 0.000 4.911 ( 0.000 0.000 0.000) 0.000 4.954 ( 0.000 -0.000 -0.000) 0.000 5.069 ( 0.000 -0.000 -0.000) 0.000 5.151 ( 0.000 0.000 0.000) 0.000 5.161 ( -0.000 -0.000 -0.000) 0.000 5.355 ( 0.000 -0.000 -0.000) 0.000 5.420 ( 0.000 -0.000 0.000) 0.000 5.611 ( 0.000 -0.000 -0.000) 0.000 5.830 ( -0.000 0.000 -0.000) 0.000 5.872 ( 0.000 -0.000 0.000) 0.000 6.052 ( 0.000 -0.000 0.000) 0.000 6.213 ( 0.000 -0.000 -0.000) 0.000 6.380 ( 0.000 -0.000 0.000) 0.000 6.608 ( 0.000 -0.000 0.000) 0.000 6.650 ( 0.000 -0.000 0.000) 0.000 6.850 ( 0.000 -0.000 -0.000) 0.000 6.897 ( -0.000 -0.000 0.000) 0.000 7.180 ( 0.000 -0.000 0.000) 0.000 7.353 ( 0.000 -0.000 0.000) 0.000 7.377 ( 0.000 -0.000 0.000) 0.000 7.801 ( 0.000 -0.000 -0.000) 0.000 7.897 ( -0.000 -0.000 0.000) 0.000 7.918 ( 0.000 0.000 -0.000) 0.000 8.117 ( 0.000 -0.000 0.000) 0.000 8.347 ( -0.000 0.000 0.000) 0.000 8.371 ( 0.000 -0.000 -0.000) 0.000 8.637 ( 0.000 -0.000 0.000) 0.000 8.870 ( 0.000 -0.000 -0.000) 0.000 9.584 ( 0.000 0.000 0.000) 0.000 9.600 ( -0.000 -0.000 0.000) 0.000 9.726 ( 0.000 -0.000 -0.000) 0.000 9.926 ( 0.000 0.000 -0.000) 0.000 10.192 ( 0.000 -0.000 0.000) 0.000 10.235 ( 0.000 -0.000 -0.000) 0.000 10.998 ( 0.000 -0.000 0.000) 0.000 11.361 ( 0.000 -0.000 0.000) 0.000 11.484 ( 0.000 -0.000 -0.000) 0.000 12.225 ( 0.000 -0.000 -0.000) 0.000 12.529 ( 0.000 -0.000 -0.000) 0.000 12.560 ( -0.000 0.000 0.000) 0.000 13.614 ( 0.000 -0.000 -0.000) 0.000 13.699 ( 0.000 -0.000 0.000) 0.000 14.456 ( 0.000 -0.000 0.000) 0.000 16.015 ( 0.000 -0.000 -0.000) 0.000 16.200 ( 0.000 0.000 -0.000) 0.000 16.726 ( 0.000 -0.000 0.000) 0.000 18.515 ( -0.000 -0.000 0.000) 0.000 19.091 ( 0.000 -0.000 -0.000) 0.000 19.633 ( 0.000 -0.000 -0.000) 0.000 20.963 ( 0.000 -0.000 -0.000) 0.000 22.483 ( 0.000 -0.000 0.000) 0.000 22.579 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 12 (7/141) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 25.583 0.000 17.719) 31.120 0.999 ( 27.384 0.000 12.259) 30.003 1.716 ( 46.863 0.000 6.361) 47.293 2.367 ( 0.577 0.000 -2.138) 2.215 2.618 ( -0.743 -0.000 -20.343) 20.357 2.931 ( 16.297 0.000 5.875) 17.324 3.368 ( -1.166 -0.000 -3.342) 3.540 3.639 ( 0.858 0.000 7.512) 7.561 3.651 ( -5.522 -0.000 -9.321) 10.834 3.841 ( 12.180 0.000 6.181) 13.659 3.932 ( 7.801 0.000 -0.015) 7.801 4.216 ( 4.453 0.000 0.147) 4.455 4.400 ( -5.740 -0.000 -3.415) 6.679 4.431 ( -1.704 -0.000 3.199) 3.624 4.645 ( 7.324 0.000 4.544) 8.620 4.704 ( -0.651 -0.000 -0.008) 0.651 5.026 ( 4.908 0.000 -5.021) 7.021 5.117 ( -3.809 -0.000 -1.744) 4.189 5.313 ( -5.631 -0.000 -0.084) 5.632 5.583 ( 0.536 0.000 -3.506) 3.547 5.696 ( 3.637 0.000 3.525) 5.065 5.836 ( -1.386 -0.000 2.575) 2.925 6.026 ( -9.527 -0.000 -0.231) 9.530 6.054 ( -6.573 -0.000 -7.495) 9.969 6.283 ( -2.247 -0.000 -8.954) 9.232 6.328 ( -7.493 -0.000 2.813) 8.003 6.408 ( -0.868 -0.000 -4.041) 4.133 6.570 ( 1.430 0.000 4.445) 4.669 6.724 ( -0.072 -0.000 10.564) 10.564 7.051 ( 8.196 0.000 -12.158) 14.663 7.090 ( 0.395 0.000 -1.272) 1.332 7.282 ( 4.060 0.000 4.009) 5.706 7.397 ( -11.312 -0.000 -7.208) 13.413 7.600 ( -6.089 -0.000 1.500) 6.271 7.622 ( -8.503 -0.000 7.889) 11.599 7.886 ( 1.511 0.000 -6.238) 6.418 7.931 ( -2.075 -0.000 2.932) 3.592 8.077 ( 0.244 0.000 5.138) 5.144 8.267 ( 0.164 0.000 1.687) 1.695 8.401 ( 0.262 0.000 2.878) 2.890 8.849 ( 10.737 0.000 -4.549) 11.661 8.907 ( -3.487 -0.000 2.232) 4.140 9.147 ( 12.670 0.000 2.429) 12.901 9.269 ( 4.680 0.000 1.232) 4.840 9.651 ( 0.556 0.000 -5.637) 5.664 9.951 ( -3.141 -0.000 5.241) 6.110 10.016 ( 3.957 0.000 -0.375) 3.975 10.558 ( -4.333 -0.000 -4.043) 5.926 10.921 ( 3.348 0.000 -5.075) 6.080 11.327 ( -4.447 -0.000 16.693) 17.275 11.428 ( 1.564 0.000 -4.819) 5.067 11.944 ( 5.615 0.000 6.488) 8.580 12.688 ( -4.530 -0.000 -3.056) 5.464 12.831 ( -5.646 -0.000 5.854) 8.133 13.709 ( 3.323 0.000 -4.317) 5.448 13.961 ( -9.687 -0.000 -2.202) 9.934 15.045 ( -15.718 -0.000 -9.598) 18.417 16.001 ( -0.961 -0.000 -1.315) 1.628 16.337 ( 14.445 0.000 -8.817) 16.923 16.547 ( -29.379 -0.000 94.635) 99.091 19.207 ( 0.736 0.000 -0.344) 0.813 19.316 ( -11.900 -0.000 0.575) 11.914 19.609 ( 21.474 0.000 -64.452) 67.936 20.225 ( 5.379 0.000 11.466) 12.665 22.403 ( 0.812 0.000 -0.874) 1.193 22.527 ( 0.227 0.000 0.896) 0.925 ======================= Grid point 13 (8/141) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 25.932 3.716 9.814) 27.975 1.509 ( 25.988 -4.075 12.719) 29.219 2.353 ( 1.659 10.660 -5.107) 11.936 2.423 ( 28.103 -6.070 1.443) 28.788 2.572 ( 11.862 -4.785 -13.755) 18.783 3.138 ( 4.121 1.996 5.122) 6.870 3.336 ( 4.841 4.747 -0.602) 6.806 3.552 ( 0.402 -0.009 -8.167) 8.177 3.705 ( 0.580 -4.904 3.963) 6.331 3.977 ( 3.255 3.545 -1.661) 5.091 4.092 ( 6.796 -6.728 1.220) 9.640 4.274 ( -0.793 0.405 2.071) 2.254 4.348 ( -0.858 -6.182 0.590) 6.269 4.446 ( -1.244 -2.133 8.647) 8.993 4.683 ( -0.093 -0.493 -3.801) 3.834 4.759 ( 1.150 -1.545 8.734) 8.944 5.045 ( -0.804 1.865 -3.851) 4.354 5.141 ( 8.486 -3.325 -2.377) 9.419 5.237 ( -2.111 2.060 0.762) 3.046 5.566 ( 1.539 3.189 -4.146) 5.452 5.756 ( 1.978 4.058 -0.870) 4.597 5.818 ( -4.262 2.932 0.711) 5.222 5.845 ( -8.103 -0.602 -0.441) 8.138 5.873 ( -8.802 -1.740 -5.290) 10.415 6.166 ( -5.889 5.261 0.053) 7.897 6.263 ( -1.043 -3.420 -4.135) 5.467 6.432 ( 1.849 -1.599 0.792) 2.570 6.587 ( -1.968 -1.066 2.153) 3.105 6.735 ( -5.225 -0.147 7.614) 9.235 7.043 ( 7.433 10.927 -10.687) 16.996 7.110 ( -6.327 3.197 -3.420) 7.871 7.226 ( 1.890 -4.981 -5.685) 7.791 7.287 ( -5.504 1.607 -0.529) 5.758 7.498 ( -1.241 3.569 4.620) 5.969 7.648 ( -3.631 -11.634 2.757) 12.495 7.898 ( -0.895 1.330 4.871) 5.128 7.904 ( 1.665 -0.294 -5.009) 5.287 8.104 ( 0.395 1.309 3.593) 3.845 8.251 ( -3.591 -1.539 2.693) 4.745 8.373 ( -5.503 -3.091 2.596) 6.825 8.831 ( -6.604 1.025 3.402) 7.499 8.990 ( 9.723 4.942 -2.241) 11.135 9.352 ( 12.524 0.768 -0.575) 12.560 9.408 ( 11.090 -0.244 2.203) 11.310 9.627 ( -0.483 -2.029 -7.789) 8.064 9.915 ( -4.316 -0.417 3.346) 5.477 10.097 ( 5.666 0.421 2.149) 6.075 10.458 ( -4.919 1.168 -4.203) 6.574 10.943 ( 1.366 -1.580 -5.020) 5.437 11.341 ( -1.837 -0.619 8.190) 8.416 11.435 ( 1.127 -0.526 -1.818) 2.203 12.088 ( 7.043 0.335 9.583) 11.897 12.590 ( -4.832 -0.454 -6.706) 8.278 12.750 ( -5.941 2.889 7.454) 9.960 13.737 ( 2.378 0.696 -4.522) 5.156 13.779 ( -9.501 -0.023 -4.151) 10.368 14.759 ( -13.231 1.070 -9.021) 16.050 15.990 ( 0.078 -1.431 -3.683) 3.952 16.424 ( -5.136 12.241 32.243) 34.869 16.558 ( -0.039 -2.474 16.975) 17.155 18.948 ( -0.552 23.824 -7.850) 25.090 19.266 ( -4.883 -5.405 2.466) 7.690 19.630 ( 7.198 3.069 -24.667) 25.878 20.494 ( 5.011 -19.362 4.481) 20.495 22.421 ( 1.249 -1.090 -1.165) 2.026 22.537 ( -0.066 -0.769 1.111) 1.353 ======================= Grid point 14 (9/141) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 22.404 7.040 5.751) 24.178 1.988 ( 21.744 -3.203 8.862) 23.698 2.169 ( 3.042 21.380 -11.560) 24.495 2.652 ( 10.136 -2.288 -6.588) 12.303 2.887 ( 6.090 -3.620 -2.371) 7.471 3.169 ( 3.169 -1.897 7.359) 8.234 3.410 ( 8.065 3.791 -0.095) 8.912 3.595 ( 5.231 -1.637 -5.119) 7.500 3.770 ( -0.776 -6.861 -0.086) 6.905 3.949 ( -0.846 0.627 -0.865) 1.363 4.190 ( -5.949 -6.910 -1.819) 9.298 4.237 ( -2.512 -5.975 -2.595) 6.981 4.409 ( 0.920 1.217 7.028) 7.192 4.493 ( -2.110 -5.586 4.724) 7.614 4.763 ( 10.043 -1.754 1.266) 10.273 4.806 ( -1.212 -1.124 9.932) 10.069 5.025 ( 0.258 -0.481 -2.026) 2.099 5.193 ( 0.686 2.532 1.683) 3.117 5.320 ( 5.224 -5.081 -2.688) 7.767 5.510 ( -6.007 2.375 -4.363) 7.795 5.543 ( -12.320 4.154 -6.645) 14.601 5.665 ( 2.292 7.228 0.232) 7.586 5.814 ( -0.616 2.112 0.014) 2.200 5.926 ( 4.122 -3.761 3.106) 6.386 6.040 ( -2.813 6.862 2.747) 7.908 6.259 ( -0.760 -0.697 -2.259) 2.483 6.487 ( 0.118 -2.527 1.959) 3.199 6.543 ( -4.840 -0.603 -1.949) 5.252 6.653 ( -6.360 -1.355 0.202) 6.506 6.920 ( -5.176 1.629 -5.804) 7.945 7.003 ( 2.514 8.756 -6.735) 11.329 7.189 ( -4.478 -0.921 -1.571) 4.834 7.325 ( 5.871 -0.608 -0.998) 5.986 7.471 ( -0.632 3.935 2.144) 4.526 7.733 ( -1.576 -10.914 1.192) 11.091 7.855 ( -3.311 2.268 6.680) 7.793 7.963 ( 4.794 -0.114 -3.454) 5.910 8.081 ( -1.182 2.914 2.235) 3.858 8.243 ( -1.521 -3.881 0.827) 4.250 8.346 ( -3.643 -4.705 1.891) 6.243 8.730 ( -6.855 1.558 6.156) 9.344 9.014 ( 3.997 9.142 -2.662) 10.326 9.515 ( 9.362 0.558 -2.429) 9.688 9.590 ( 5.210 1.204 -1.142) 5.468 9.623 ( 2.701 -6.328 -1.937) 7.148 9.860 ( -4.343 -1.747 0.159) 4.684 10.188 ( 4.006 0.816 2.901) 5.013 10.347 ( -4.121 2.415 -3.773) 6.087 10.959 ( 1.578 -1.368 -1.655) 2.664 11.355 ( 0.152 -0.125 1.773) 1.784 11.457 ( 1.241 -0.673 0.417) 1.473 12.215 ( 2.329 0.856 9.609) 9.924 12.500 ( -1.334 -1.520 -11.208) 11.389 12.669 ( -5.437 2.967 8.746) 10.717 13.627 ( -5.261 -0.321 -2.791) 5.964 13.750 ( 1.453 1.149 -4.330) 4.709 14.537 ( -8.877 0.153 -5.583) 10.488 15.982 ( -0.658 -3.264 -9.662) 10.219 16.355 ( -9.436 9.678 37.657) 40.009 16.669 ( 7.086 -0.848 -5.810) 9.202 18.719 ( -4.433 11.395 -2.116) 12.409 19.202 ( -5.120 1.214 -0.505) 5.286 19.628 ( 8.042 4.042 -11.702) 14.763 20.741 ( 3.848 -12.893 3.143) 13.817 22.448 ( 1.306 -1.263 -1.096) 2.122 22.549 ( -0.301 -1.376 1.009) 1.733 ======================= Grid point 15 (10/141) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 6.524 23.113 -4.611) 24.455 2.033 ( 11.104 10.460 3.388) 15.626 2.299 ( 10.160 1.421 0.311) 10.264 2.704 ( 2.239 4.199 -5.050) 6.939 2.941 ( 4.358 -1.618 0.019) 4.649 3.272 ( -0.063 -1.275 6.462) 6.587 3.450 ( 1.305 3.320 -5.798) 6.807 3.633 ( -1.157 -3.147 -0.670) 3.419 3.861 ( 4.058 -7.920 -1.111) 8.968 3.941 ( -1.808 -3.563 -5.789) 7.034 4.087 ( -7.426 2.063 0.486) 7.722 4.252 ( -3.249 -7.882 0.426) 8.536 4.459 ( 1.302 -3.104 5.184) 6.181 4.580 ( 2.707 -9.299 0.099) 9.685 4.830 ( -1.315 0.899 4.841) 5.096 4.946 ( 2.839 -1.845 3.706) 5.020 5.032 ( -0.081 -2.921 3.170) 4.312 5.187 ( -3.148 2.274 -0.824) 3.970 5.218 ( -6.563 3.532 -1.810) 7.670 5.368 ( -6.123 -1.215 0.338) 6.252 5.446 ( 0.121 -2.438 -5.185) 5.731 5.685 ( 0.819 9.509 2.918) 9.981 5.786 ( 4.366 1.584 2.830) 5.438 5.987 ( 1.141 5.710 4.082) 7.111 6.034 ( 2.644 -1.354 2.296) 3.754 6.237 ( -0.512 1.782 -2.950) 3.485 6.371 ( -6.741 -0.429 -2.470) 7.192 6.543 ( -0.908 -4.655 -3.972) 6.187 6.626 ( -0.280 -3.482 -0.077) 3.494 6.849 ( -2.606 -0.287 1.820) 3.192 6.955 ( 5.330 5.880 -8.980) 11.984 7.115 ( -5.758 -4.654 -5.758) 9.379 7.397 ( 2.633 4.595 1.952) 5.644 7.435 ( 2.689 2.858 -0.120) 3.926 7.786 ( -4.420 -5.741 5.259) 8.953 7.826 ( -3.202 -0.699 2.953) 4.411 7.973 ( 2.139 3.700 2.218) 4.816 8.112 ( 5.453 -0.296 -3.582) 6.531 8.279 ( 0.170 -5.307 0.109) 5.311 8.362 ( 0.068 -1.744 0.924) 1.975 8.652 ( -5.586 1.189 8.728) 10.431 8.951 ( 2.240 7.613 -5.875) 9.874 9.561 ( -4.322 -2.505 -3.383) 6.033 9.605 ( 1.273 0.272 1.158) 1.743 9.720 ( 1.227 -0.575 0.596) 1.480 9.854 ( 0.515 -5.727 -2.656) 6.334 10.213 ( -1.650 0.953 3.873) 4.316 10.254 ( -2.241 2.041 -3.414) 4.565 11.016 ( 4.886 1.579 3.373) 6.143 11.368 ( 2.084 0.598 -2.596) 3.382 11.487 ( 1.644 0.387 1.478) 2.244 12.220 ( -3.203 -0.505 0.133) 3.245 12.480 ( 1.536 -2.632 -9.704) 10.171 12.607 ( -4.350 2.493 9.963) 11.154 13.596 ( 0.298 -1.255 1.024) 1.646 13.727 ( 0.275 2.173 -2.562) 3.370 14.435 ( -2.641 -1.833 -1.301) 3.468 15.917 ( -5.211 -6.078 -18.388) 20.055 16.312 ( -6.358 7.272 31.515) 32.962 16.728 ( 3.890 0.122 -8.653) 9.488 18.546 ( -9.686 2.596 4.384) 10.944 19.132 ( 1.709 3.784 -2.495) 4.844 19.667 ( 6.747 3.500 -8.212) 11.190 20.904 ( 3.335 -5.706 3.660) 7.555 22.472 ( 0.669 -0.895 -0.416) 1.192 22.564 ( -0.070 -1.414 0.407) 1.473 ======================= Grid point 16 (11/141) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 5.240 16.379 5.534) 18.066 1.981 ( 0.811 15.350 0.825) 15.393 2.231 ( -8.208 8.016 -6.795) 13.334 2.715 ( 2.750 3.587 0.206) 4.525 3.045 ( 8.930 2.845 2.500) 9.700 3.233 ( -7.994 -0.714 1.008) 8.089 3.330 ( -8.540 3.661 -6.872) 11.557 3.607 ( -6.349 -1.071 -0.050) 6.439 3.882 ( -4.958 -5.406 -9.040) 11.642 3.932 ( -2.820 -0.280 -1.427) 3.173 4.062 ( 5.355 -5.601 -0.797) 7.789 4.298 ( 1.239 -2.093 4.136) 4.798 4.536 ( 4.680 1.681 2.042) 5.376 4.729 ( -1.004 -0.957 -0.424) 1.450 4.772 ( -7.052 -7.797 0.523) 10.526 4.887 ( -4.563 -5.334 0.581) 7.044 5.037 ( -4.961 -0.262 0.613) 5.006 5.102 ( -3.118 -3.950 2.123) 5.462 5.210 ( 2.296 5.249 -1.675) 5.969 5.364 ( -0.191 -3.569 9.773) 10.406 5.436 ( 0.260 1.886 -2.453) 3.105 5.602 ( -1.731 0.861 2.216) 2.941 5.865 ( -1.313 2.924 1.229) 3.433 5.944 ( 3.757 7.249 7.184) 10.875 6.069 ( 0.994 1.627 -4.516) 4.902 6.135 ( -3.165 -2.691 0.272) 4.164 6.457 ( 7.545 -4.186 1.002) 8.687 6.533 ( -2.954 -5.821 -6.614) 9.293 6.666 ( 0.910 -0.695 1.777) 2.114 6.814 ( -4.449 0.097 4.078) 6.036 6.963 ( 5.136 1.879 -7.284) 9.109 7.081 ( 1.329 -4.151 -7.772) 8.910 7.357 ( -0.994 2.613 0.675) 2.876 7.493 ( 6.582 2.714 -3.383) 7.882 7.760 ( -6.084 -0.938 2.312) 6.576 7.800 ( -2.966 -2.694 9.519) 10.328 8.039 ( 6.494 0.823 0.568) 6.570 8.161 ( 3.750 3.204 -1.725) 5.225 8.348 ( 1.673 -2.250 -1.322) 3.100 8.372 ( 1.211 -1.157 -1.460) 2.222 8.615 ( -4.888 -1.053 10.638) 11.755 8.910 ( 4.535 3.974 -9.016) 10.847 9.464 ( -9.417 -2.275 -0.898) 9.730 9.540 ( -10.145 -0.750 2.938) 10.589 9.743 ( 2.849 0.178 -4.086) 4.984 9.893 ( -1.427 -3.065 0.076) 3.382 10.177 ( -3.342 1.325 -2.617) 4.446 10.227 ( 0.839 -1.974 6.679) 7.015 11.091 ( 4.715 4.860 6.385) 9.306 11.384 ( 3.167 0.968 -5.673) 6.569 11.510 ( 1.710 2.194 1.685) 3.252 12.160 ( -3.544 -1.878 -7.457) 8.467 12.475 ( -1.050 -4.605 -8.616) 9.825 12.589 ( -1.202 1.424 9.800) 9.975 13.638 ( 2.136 -0.382 2.877) 3.604 13.720 ( 1.323 0.657 1.337) 1.993 14.479 ( 4.505 -3.151 3.091) 6.307 15.762 ( -10.890 -10.703 -25.349) 29.593 16.305 ( -3.057 6.397 23.030) 24.097 16.696 ( -2.382 0.557 -8.751) 9.086 18.403 ( -12.051 -2.457 8.766) 15.103 19.178 ( 8.001 0.918 -1.438) 8.180 19.681 ( 5.108 4.818 -8.713) 11.190 21.002 ( 3.426 0.181 4.729) 5.842 22.481 ( -0.176 -0.228 0.575) 0.643 22.577 ( 0.300 -0.708 -0.412) 0.873 ======================= Grid point 17 (12/141) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -10.900 19.291 2.785) 22.332 1.878 ( -13.471 12.059 -12.896) 22.208 2.069 ( 10.391 6.489 17.375) 21.260 2.666 ( -2.882 5.515 1.826) 6.485 2.957 ( -20.492 11.096 -3.788) 23.609 3.061 ( -12.317 -0.316 -5.796) 13.616 3.207 ( 2.114 -0.037 -0.900) 2.298 3.492 ( -1.990 0.027 -0.731) 2.120 3.778 ( -8.588 -4.124 -6.412) 11.484 3.954 ( 3.138 1.277 2.738) 4.356 4.136 ( -2.982 -4.439 -4.069) 6.720 4.350 ( 1.225 0.980 0.000) 1.569 4.596 ( -1.725 2.397 3.317) 4.441 4.605 ( -1.291 3.480 -2.910) 4.716 4.699 ( 0.894 0.344 -0.577) 1.118 4.953 ( -3.555 -0.148 7.030) 7.879 4.992 ( -0.036 -6.806 -6.695) 9.547 5.076 ( -5.899 7.874 1.057) 9.895 5.237 ( 4.179 -14.509 -0.979) 15.131 5.403 ( -2.236 1.336 2.550) 3.645 5.504 ( 3.318 -6.645 8.524) 11.305 5.580 ( -0.841 2.880 -0.161) 3.005 5.805 ( -2.146 -4.305 2.401) 5.376 5.994 ( 2.459 5.221 -1.617) 5.994 6.065 ( 7.121 1.583 3.082) 7.919 6.216 ( 2.491 -6.637 4.869) 8.600 6.452 ( -6.162 -3.342 -4.937) 8.574 6.600 ( -2.469 -3.854 4.827) 6.651 6.680 ( 2.616 -0.187 -3.152) 4.101 6.781 ( -0.695 -0.886 2.609) 2.842 6.990 ( 1.678 -0.326 -3.326) 3.740 7.159 ( 7.272 -2.337 -7.209) 10.503 7.347 ( 2.822 1.224 -1.262) 3.325 7.551 ( 6.242 1.336 -6.141) 8.858 7.704 ( -2.978 -1.208 2.520) 4.084 7.840 ( -1.897 -3.637 9.427) 10.281 8.112 ( 3.933 5.167 0.607) 6.522 8.172 ( 4.527 4.784 -0.902) 6.648 8.319 ( -2.028 0.752 -1.659) 2.726 8.439 ( 3.033 -2.622 -3.469) 5.301 8.612 ( -5.363 -4.531 9.792) 12.049 8.923 ( 5.843 2.102 -9.488) 11.339 9.305 ( -12.351 -2.255 -0.854) 12.585 9.360 ( -13.692 -0.615 1.543) 13.792 9.751 ( 0.904 1.954 -1.136) 2.434 9.899 ( -0.372 -2.081 1.676) 2.698 10.095 ( -3.657 1.272 -0.044) 3.872 10.346 ( 5.078 -3.516 7.723) 9.889 11.111 ( 0.287 6.118 6.654) 9.044 11.392 ( 3.528 1.097 -9.155) 9.873 11.511 ( 0.789 3.643 1.881) 4.175 12.064 ( -5.181 -0.564 -8.132) 9.659 12.470 ( -2.417 -8.709 -9.240) 12.925 12.632 ( 2.249 0.472 7.238) 7.594 13.698 ( 1.537 -0.738 3.827) 4.190 13.762 ( 3.685 -0.853 2.666) 4.627 14.662 ( 10.759 -3.446 7.332) 13.468 15.550 ( -15.373 -17.327 -31.780) 39.326 16.299 ( -1.250 6.702 14.608) 16.121 16.559 ( -9.160 -0.363 -8.732) 12.660 18.294 ( -12.789 -5.285 11.635) 18.079 19.334 ( 9.085 -1.831 3.619) 9.949 19.656 ( 5.201 5.472 -12.614) 14.701 21.065 ( 4.688 5.117 6.445) 9.471 22.479 ( -0.439 0.540 1.264) 1.443 22.580 ( 0.226 0.401 -0.856) 0.972 ======================= Grid point 18 (13/141) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -11.905 22.704 4.293) 25.993 1.418 ( -17.216 16.726 -12.368) 27.002 2.304 ( -29.166 20.311 -8.988) 36.661 2.321 ( 10.545 -0.963 19.196) 21.923 2.629 ( -4.927 5.645 8.677) 11.464 2.843 ( -13.786 -4.592 -3.396) 14.922 3.113 ( -5.719 -1.134 -13.224) 14.452 3.566 ( -0.958 -0.918 2.095) 2.480 3.696 ( 4.681 0.410 0.334) 4.711 3.930 ( -5.526 3.419 0.590) 6.525 4.063 ( -5.733 -0.515 -1.880) 6.055 4.257 ( -5.115 3.977 -4.580) 7.934 4.539 ( 1.914 2.235 1.124) 3.150 4.627 ( -1.186 0.342 -3.724) 3.923 4.738 ( 3.741 2.301 2.830) 5.225 4.876 ( -4.298 8.360 -0.084) 9.401 5.002 ( 2.789 -4.205 1.709) 5.327 5.096 ( 3.976 -8.243 -0.014) 9.152 5.218 ( -6.507 7.579 2.215) 10.231 5.477 ( 4.078 -6.422 1.786) 7.814 5.592 ( 2.794 -3.765 -1.254) 4.854 5.685 ( 3.958 -9.286 4.360) 10.996 5.822 ( -3.009 -4.207 -2.131) 5.595 6.025 ( 2.758 -2.405 4.732) 5.982 6.203 ( 7.935 -1.174 1.999) 8.267 6.330 ( -3.112 -3.259 4.522) 6.384 6.392 ( 1.533 -4.383 -0.560) 4.677 6.565 ( -5.404 -2.084 4.150) 7.125 6.706 ( 0.346 -1.222 -1.898) 2.284 6.831 ( 3.238 -2.074 0.920) 3.954 6.996 ( 0.750 -0.489 -1.719) 1.938 7.207 ( -0.676 -1.885 -6.923) 7.207 7.441 ( 10.503 0.443 -0.580) 10.529 7.596 ( 5.379 3.691 -4.182) 7.749 7.724 ( 0.248 -5.024 0.475) 5.053 7.900 ( 0.710 -2.778 6.378) 6.993 8.068 ( 1.518 10.057 -1.877) 10.343 8.185 ( 3.064 5.477 -1.008) 6.356 8.278 ( -3.570 -1.944 0.130) 4.067 8.448 ( -2.928 -0.736 -2.955) 4.225 8.625 ( -4.062 -6.216 5.531) 9.259 8.945 ( 2.982 1.247 -5.933) 6.756 9.127 ( -10.902 -0.998 -1.758) 11.088 9.171 ( -10.063 -1.582 -0.619) 10.205 9.727 ( -1.416 2.381 1.469) 3.136 9.933 ( 0.173 -2.322 1.139) 2.592 10.072 ( 3.239 3.164 5.216) 6.907 10.499 ( 5.321 -2.453 7.062) 9.176 11.051 ( -3.515 5.649 5.014) 8.331 11.388 ( 4.925 1.296 -15.377) 16.198 11.484 ( -1.313 3.825 4.319) 5.917 11.948 ( -4.438 0.730 -5.669) 7.236 12.458 ( -8.192 -13.722 -10.084) 18.897 12.707 ( 3.834 0.364 3.696) 5.338 13.708 ( -1.896 0.131 3.129) 3.661 13.895 ( 7.416 -3.456 2.140) 8.457 14.933 ( 12.464 -4.336 6.461) 14.694 15.315 ( -18.342 -24.317 -36.971) 47.902 16.249 ( -4.405 6.430 0.924) 7.848 16.357 ( -11.245 -1.396 -1.855) 11.483 18.201 ( -14.229 -6.407 14.179) 21.084 19.447 ( 0.648 5.671 7.931) 9.772 19.690 ( 11.554 -3.204 -15.237) 19.389 21.129 ( 8.073 9.190 9.081) 15.234 22.472 ( -0.065 1.176 1.571) 1.964 22.569 ( 0.025 1.364 -0.820) 1.592 ======================= Grid point 19 (14/141) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -9.454 25.621 -0.865) 27.323 0.930 ( -13.383 22.753 -1.336) 26.431 1.516 ( -29.794 29.921 -11.870) 43.862 2.499 ( -11.692 -3.615 6.266) 13.748 2.553 ( 9.133 5.567 3.051) 11.123 2.758 ( -3.720 0.235 15.803) 16.237 3.032 ( -0.616 -11.127 -16.832) 20.187 3.492 ( -5.509 -2.186 0.070) 5.927 3.765 ( -6.479 5.093 2.838) 8.716 3.873 ( 10.277 2.401 -1.170) 10.619 3.942 ( -5.559 3.817 0.532) 6.764 4.156 ( -0.746 4.146 -2.081) 4.699 4.447 ( -9.762 1.787 -5.292) 11.248 4.590 ( 2.927 6.178 1.542) 7.008 4.724 ( -3.791 4.893 -0.612) 6.219 4.874 ( 6.474 -3.730 5.179) 9.091 5.076 ( -2.611 5.183 3.201) 6.628 5.105 ( 3.186 -3.613 0.708) 4.869 5.277 ( 7.394 -5.585 1.966) 9.472 5.598 ( 4.513 -2.030 2.520) 5.553 5.648 ( 0.820 0.291 -1.301) 1.566 5.782 ( 0.113 -4.072 -2.953) 5.031 5.875 ( 2.612 -11.365 1.167) 11.719 6.105 ( -2.435 -6.384 3.189) 7.540 6.319 ( 2.259 -3.453 -2.519) 4.835 6.339 ( 2.011 -2.269 7.690) 8.267 6.496 ( 3.636 -2.029 2.026) 4.630 6.526 ( -3.814 -1.792 0.694) 4.270 6.704 ( 1.094 1.064 -1.255) 1.976 6.920 ( 3.148 -2.983 1.227) 4.507 7.016 ( -0.574 -2.531 1.915) 3.225 7.141 ( -3.261 0.168 -5.927) 6.767 7.610 ( 6.738 -0.898 -2.335) 7.187 7.636 ( 7.684 1.264 1.060) 7.859 7.792 ( 1.557 -4.658 1.321) 5.086 7.964 ( -0.505 6.241 -6.014) 8.682 7.976 ( 4.417 1.324 1.576) 4.873 8.159 ( 1.576 6.199 0.269) 6.402 8.231 ( -4.262 -1.359 -0.898) 4.563 8.326 ( -10.298 1.591 0.746) 10.447 8.662 ( -1.182 -6.630 0.535) 6.756 8.910 ( -5.428 -0.567 -0.438) 5.476 8.993 ( -1.674 2.597 -3.287) 4.511 9.085 ( -4.357 -3.830 -3.053) 6.555 9.672 ( -3.497 1.684 1.149) 4.048 9.956 ( 0.088 -1.399 0.866) 1.648 10.208 ( 15.101 7.277 13.739) 21.674 10.612 ( 2.824 -1.133 4.200) 5.186 10.960 ( -3.212 4.555 2.563) 6.134 11.378 ( 10.506 2.280 -32.146) 33.896 11.446 ( -5.086 2.149 14.817) 15.813 11.866 ( -2.129 1.005 -2.847) 3.695 12.315 ( -27.116 -20.308 -15.192) 37.128 12.767 ( 2.557 0.535 1.324) 2.929 13.686 ( -1.394 0.483 1.381) 2.021 14.051 ( 5.875 -3.813 1.779) 7.226 14.885 ( -29.754 -26.335 -45.062) 60.079 15.331 ( 13.440 -3.760 3.675) 14.432 16.016 ( -15.930 -2.487 -6.843) 17.515 16.259 ( -2.247 5.509 4.112) 7.233 18.094 ( -14.784 -4.533 14.972) 21.523 19.372 ( -1.201 9.519 1.636) 9.733 19.873 ( 8.419 -7.685 -6.267) 13.008 21.255 ( 13.764 9.418 11.719) 20.383 22.473 ( 0.928 1.262 1.618) 2.252 22.550 ( 0.213 1.875 -0.371) 1.923 ======================= Grid point 20 (15/141) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 0.000 25.272 0.000) 25.272 0.601 ( 0.000 30.135 0.000) 30.135 0.791 ( 0.000 40.776 0.000) 40.776 2.419 ( 0.000 0.682 0.000) 0.682 2.576 ( 0.000 2.487 0.000) 2.487 2.781 ( 0.000 1.623 0.000) 1.623 3.148 ( -0.000 -17.939 -0.000) 17.939 3.476 ( -0.000 -3.276 -0.000) 3.276 3.669 ( 0.000 4.767 0.000) 4.767 3.811 ( 0.000 4.439 0.000) 4.439 3.917 ( 0.000 9.733 0.000) 9.733 4.159 ( 0.000 0.967 0.000) 0.967 4.292 ( 0.000 0.842 0.000) 0.842 4.551 ( 0.000 8.681 0.000) 8.681 4.646 ( 0.000 2.411 0.000) 2.411 5.021 ( 0.000 3.075 0.000) 3.075 5.040 ( -0.000 -9.864 -0.000) 9.864 5.199 ( -0.000 -3.833 -0.000) 3.833 5.408 ( -0.000 -3.101 -0.000) 3.101 5.580 ( 0.000 2.772 0.000) 2.772 5.732 ( -0.000 -3.417 -0.000) 3.417 5.816 ( -0.000 -3.609 -0.000) 3.609 6.032 ( -0.000 -11.881 -0.000) 11.881 6.147 ( -0.000 -4.420 -0.000) 4.420 6.376 ( 0.000 3.232 0.000) 3.232 6.378 ( -0.000 -5.189 -0.000) 5.189 6.505 ( -0.000 -1.829 -0.000) 1.829 6.546 ( -0.000 -1.315 -0.000) 1.315 6.707 ( 0.000 1.747 0.000) 1.747 6.941 ( 0.000 0.458 0.000) 0.458 7.042 ( -0.000 -2.498 -0.000) 2.498 7.102 ( -0.000 -0.589 -0.000) 0.589 7.663 ( -0.000 -1.382 -0.000) 1.382 7.770 ( -0.000 -4.938 -0.000) 4.938 7.838 ( 0.000 3.577 0.000) 3.577 7.886 ( -0.000 -2.801 -0.000) 2.801 8.077 ( 0.000 1.023 0.000) 1.023 8.100 ( 0.000 2.124 0.000) 2.124 8.140 ( 0.000 6.560 0.000) 6.560 8.207 ( 0.000 1.594 0.000) 1.594 8.712 ( -0.000 -6.750 -0.000) 6.750 8.853 ( 0.000 0.026 0.000) 0.026 8.961 ( 0.000 1.957 0.000) 1.957 9.037 ( -0.000 -0.141 -0.000) 0.141 9.618 ( 0.000 1.950 0.000) 1.950 9.969 ( -0.000 -0.637 -0.000) 0.637 10.511 ( 0.000 1.409 0.000) 1.409 10.642 ( -0.000 -1.518 -0.000) 1.518 10.901 ( 0.000 3.322 0.000) 3.322 11.385 ( 0.000 3.089 0.000) 3.089 11.430 ( -0.000 -0.537 -0.000) 0.537 11.819 ( -0.000 -1.447 -0.000) 1.447 11.840 ( -0.000 -0.206 -0.000) 0.206 12.786 ( 0.000 0.548 0.000) 0.548 13.674 ( 0.000 0.458 0.000) 0.458 14.182 ( -0.000 -4.917 -0.000) 4.917 14.422 ( -0.000 -1.257 -0.000) 1.257 15.506 ( 0.000 2.621 0.000) 2.621 15.884 ( -0.000 -8.827 -0.000) 8.827 16.188 ( 0.000 7.031 0.000) 7.031 17.997 ( 0.000 0.865 0.000) 0.865 19.275 ( 0.000 7.944 0.000) 7.944 20.000 ( -0.000 -6.438 -0.000) 6.438 21.436 ( -0.000 -1.019 -0.000) 1.019 22.491 ( -0.000 -0.350 -0.000) 0.350 22.538 ( 0.000 1.692 0.000) 1.692 ======================= Grid point 23 (16/141) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 21.938 0.000 8.423) 23.500 1.968 ( 27.082 0.000 7.684) 28.151 2.498 ( 8.172 0.000 -17.617) 19.420 2.569 ( 11.709 0.000 2.374) 11.947 2.844 ( 16.059 0.000 -2.096) 16.196 3.135 ( -4.050 -0.000 -0.106) 4.051 3.450 ( 3.633 0.000 0.624) 3.686 3.565 ( 7.715 0.000 -10.205) 12.793 3.686 ( -2.434 -0.000 7.450) 7.838 3.978 ( -5.875 -0.000 -6.048) 8.432 4.078 ( 1.807 0.000 1.817) 2.563 4.163 ( -6.477 -0.000 -6.204) 8.969 4.415 ( -9.354 -0.000 12.094) 15.289 4.460 ( 7.207 0.000 6.547) 9.737 4.742 ( 9.782 0.000 0.311) 9.787 4.802 ( -0.583 -0.000 12.799) 12.812 5.025 ( -0.715 -0.000 -4.446) 4.503 5.227 ( -0.504 -0.000 0.979) 1.101 5.250 ( 6.670 0.000 -1.134) 6.766 5.561 ( -6.201 -0.000 -8.923) 10.867 5.569 ( -16.995 -0.000 -1.150) 17.034 5.722 ( 1.165 0.000 -1.822) 2.163 5.866 ( 5.691 0.000 -0.754) 5.741 5.870 ( 2.445 0.000 1.635) 2.941 6.118 ( -3.216 -0.000 3.147) 4.500 6.257 ( 2.314 0.000 -1.378) 2.693 6.445 ( 0.954 0.000 0.698) 1.182 6.532 ( -5.688 -0.000 2.138) 6.077 6.637 ( -9.269 -0.000 0.394) 9.277 6.923 ( -10.199 -0.000 -3.265) 10.709 7.166 ( -2.028 -0.000 -6.889) 7.181 7.200 ( 0.768 0.000 -13.569) 13.591 7.268 ( 7.223 0.000 -0.050) 7.223 7.551 ( -0.261 -0.000 1.443) 1.467 7.558 ( 0.979 0.000 5.260) 5.350 7.879 ( -5.279 -0.000 10.393) 11.656 7.951 ( 6.680 0.000 -7.006) 9.680 8.154 ( -1.200 -0.000 6.925) 7.028 8.203 ( 0.697 0.000 -0.558) 0.893 8.261 ( -6.250 -0.000 1.035) 6.335 8.745 ( -7.457 -0.000 7.595) 10.644 9.136 ( 5.170 0.000 -1.554) 5.398 9.524 ( 8.841 0.000 -1.468) 8.962 9.526 ( 0.483 0.000 -9.823) 9.835 9.607 ( 6.886 0.000 1.115) 6.975 9.842 ( -6.156 -0.000 2.229) 6.547 10.196 ( 3.970 0.000 2.436) 4.658 10.371 ( -4.257 -0.000 -3.396) 5.446 10.947 ( 2.950 0.000 -0.602) 3.011 11.355 ( 0.982 0.000 1.077) 1.457 11.450 ( 1.643 0.000 0.701) 1.787 12.224 ( 1.885 0.000 10.232) 10.404 12.484 ( -1.733 -0.000 -11.456) 11.586 12.699 ( -6.469 -0.000 8.665) 10.813 13.624 ( -5.969 -0.000 -3.199) 6.772 13.763 ( 2.240 0.000 -4.336) 4.881 14.538 ( -10.051 -0.000 -6.299) 11.862 15.945 ( -0.904 -0.000 -10.663) 10.702 16.462 ( -17.780 -0.000 47.761) 50.964 16.656 ( 11.215 0.000 -13.425) 17.493 18.849 ( -18.274 -0.000 6.691) 19.460 19.216 ( 0.134 0.000 -0.710) 0.722 19.708 ( 13.152 0.000 -30.412) 33.134 20.564 ( 8.086 0.000 12.108) 14.559 22.435 ( 1.819 0.000 -1.334) 2.256 22.533 ( -0.565 -0.000 1.292) 1.410 ======================= Grid point 24 (17/141) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 12.532 3.253 2.305) 13.151 2.379 ( 21.964 5.958 3.623) 23.044 2.466 ( 10.374 21.170 -7.623) 24.777 2.767 ( 8.094 0.426 -6.090) 10.138 2.936 ( 4.353 4.097 -1.438) 6.148 3.188 ( 3.252 -10.294 4.032) 11.523 3.461 ( -3.131 -3.237 -0.503) 4.532 3.575 ( 0.583 -0.213 -11.673) 11.689 3.743 ( 1.025 -2.332 7.327) 7.757 3.857 ( -6.264 -4.069 -7.473) 10.566 4.032 ( -6.219 -4.979 -4.774) 9.288 4.154 ( 2.136 -1.766 2.758) 3.910 4.304 ( -10.597 -4.098 7.674) 13.711 4.575 ( 5.214 1.454 2.843) 6.114 4.864 ( -0.061 1.283 12.613) 12.679 4.923 ( 6.705 -0.282 6.010) 9.009 4.979 ( -2.525 -1.940 -1.138) 3.382 5.222 ( -3.096 1.495 0.168) 3.442 5.262 ( -7.289 0.154 -1.018) 7.362 5.313 ( -13.409 -2.564 1.290) 13.713 5.408 ( 0.917 -0.247 -7.896) 7.953 5.828 ( 8.519 2.054 2.517) 9.117 5.860 ( 0.652 6.305 -1.194) 6.450 5.973 ( 3.318 -4.342 2.231) 5.903 6.118 ( 3.933 5.368 2.512) 7.113 6.273 ( 1.326 1.713 -0.651) 2.262 6.383 ( -12.744 2.665 -2.434) 13.245 6.468 ( -4.499 -2.297 -0.998) 5.149 6.514 ( -1.847 -7.337 -0.683) 7.596 6.840 ( -0.655 -0.388 2.089) 2.223 7.023 ( -7.876 -1.367 -6.428) 10.258 7.138 ( 4.882 8.625 -14.652) 17.689 7.396 ( 4.039 -5.884 -2.818) 7.673 7.510 ( -1.799 4.465 2.945) 5.643 7.662 ( 3.348 -4.140 3.039) 6.131 7.837 ( -5.054 0.368 9.054) 10.376 8.031 ( 4.569 1.428 -2.928) 5.612 8.125 ( 1.180 1.278 1.654) 2.400 8.193 ( -1.921 -1.909 0.762) 2.814 8.303 ( 4.543 -3.437 0.619) 5.730 8.674 ( -6.448 0.791 10.336) 12.208 9.121 ( 0.045 7.652 -3.347) 8.352 9.475 ( -3.565 -5.301 -8.357) 10.519 9.609 ( 0.975 0.104 0.723) 1.218 9.712 ( 3.194 0.035 1.094) 3.377 9.763 ( -3.013 -2.701 -1.579) 4.343 10.222 ( -1.714 0.198 2.408) 2.962 10.291 ( -3.424 1.129 -2.529) 4.404 11.045 ( 7.764 0.986 5.350) 9.481 11.377 ( 2.895 0.212 -4.761) 5.576 11.496 ( 3.135 0.386 2.932) 4.310 12.209 ( -5.352 -0.425 -0.591) 5.401 12.445 ( 0.898 -0.916 -8.691) 8.785 12.642 ( -5.436 0.912 9.817) 11.258 13.577 ( 0.332 -0.516 0.940) 1.122 13.763 ( 0.809 1.141 -3.502) 3.771 14.401 ( -4.542 -1.173 -2.125) 5.150 15.832 ( -7.403 -2.270 -15.498) 17.325 16.418 ( -10.430 2.909 35.810) 37.412 16.730 ( 5.761 0.051 -13.390) 14.577 18.590 ( -16.434 1.422 7.701) 18.205 19.204 ( 0.602 2.424 -0.589) 2.567 19.753 ( 10.848 3.842 -20.556) 23.558 20.779 ( 7.581 -5.038 9.518) 13.170 22.460 ( 1.701 -0.224 -1.242) 2.118 22.534 ( -0.621 -1.146 1.168) 1.750 ======================= Grid point 25 (18/141) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( -2.104 7.584 -0.073) 7.871 2.352 ( 9.087 25.215 -3.846) 27.077 2.474 ( 2.719 17.353 -1.099) 17.599 2.802 ( 6.522 4.599 -4.008) 8.930 3.066 ( 10.978 -0.258 2.953) 11.371 3.224 ( -9.279 0.033 3.623) 9.961 3.422 ( -4.233 2.647 -5.635) 7.529 3.551 ( -0.570 -4.912 -4.316) 6.563 3.750 ( -8.495 -5.304 -7.738) 12.656 3.829 ( 3.063 -6.953 -2.637) 8.042 4.048 ( 1.390 -0.437 1.886) 2.383 4.218 ( 2.950 -9.675 3.787) 10.800 4.309 ( -2.325 -13.242 3.322) 13.849 4.632 ( 2.380 1.276 1.982) 3.350 4.816 ( -5.805 3.008 -1.495) 6.707 4.874 ( -9.804 0.400 4.310) 10.717 5.003 ( -7.839 -1.656 -1.269) 8.112 5.069 ( -4.621 -0.575 5.127) 6.926 5.234 ( -1.288 -6.832 8.089) 10.666 5.296 ( 3.339 2.072 3.480) 5.249 5.435 ( 2.611 -1.442 -5.495) 6.252 5.729 ( -4.462 10.085 0.357) 11.033 5.950 ( 5.195 3.861 3.443) 7.331 6.045 ( -3.502 1.258 7.030) 7.954 6.108 ( -6.387 0.619 -9.288) 11.289 6.125 ( 2.226 3.757 1.875) 4.752 6.346 ( 2.738 -5.691 1.448) 6.479 6.423 ( -3.317 -4.103 -5.881) 7.901 6.595 ( 1.051 -6.292 2.630) 6.900 6.836 ( -2.661 1.919 -0.970) 3.421 6.950 ( 0.101 -3.475 -1.966) 3.994 7.088 ( 7.654 5.134 -15.255) 17.823 7.438 ( -2.516 4.330 3.465) 6.089 7.475 ( 0.764 -4.592 -3.598) 5.883 7.728 ( 0.278 0.575 4.330) 4.376 7.815 ( -1.772 1.106 6.823) 7.136 8.042 ( 2.696 0.452 0.349) 2.756 8.205 ( 4.159 0.899 -1.224) 4.427 8.235 ( 4.339 -6.078 -1.177) 7.561 8.386 ( 3.041 0.664 -0.126) 3.115 8.619 ( -5.939 0.892 10.928) 12.470 9.018 ( 0.259 6.408 -6.319) 9.003 9.405 ( -8.032 -3.834 -3.699) 9.638 9.531 ( -10.622 -0.274 4.368) 11.488 9.737 ( 2.603 -0.490 -3.604) 4.472 9.807 ( 1.508 -4.485 -1.934) 5.112 10.198 ( -3.077 -0.080 2.880) 4.215 10.218 ( -2.205 1.225 2.195) 3.344 11.180 ( 6.652 3.729 7.837) 10.935 11.395 ( 3.393 0.194 -7.731) 8.445 11.557 ( 3.710 2.278 3.347) 5.491 12.121 ( -3.495 -1.875 -8.232) 9.138 12.401 ( -3.633 -2.693 -8.763) 9.860 12.612 ( -2.928 0.802 10.247) 10.688 13.627 ( 2.558 -0.535 4.086) 4.851 13.743 ( 0.331 1.310 -1.624) 2.113 14.414 ( 3.557 -3.023 2.761) 5.423 15.606 ( -14.627 -5.164 -19.392) 24.833 16.414 ( -4.406 4.277 24.872) 25.619 16.702 ( -1.705 -0.008 -12.186) 12.304 18.385 ( -13.150 0.040 7.901) 15.341 19.208 ( 3.400 1.762 0.361) 3.846 19.781 ( 8.452 4.756 -14.965) 17.833 20.971 ( 6.530 -2.576 7.618) 10.359 22.477 ( 0.733 0.037 -0.250) 0.775 22.549 ( 0.103 -1.865 0.285) 1.890 ======================= Grid point 26 (19/141) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -9.464 12.871 1.579) 16.053 2.171 ( -3.914 21.046 -7.560) 22.702 2.335 ( 5.601 18.036 9.590) 21.181 2.791 ( 1.804 7.281 -3.193) 8.153 2.994 ( -19.468 -2.805 2.653) 19.847 3.176 ( -10.815 5.805 -7.214) 14.237 3.274 ( 4.552 7.813 0.786) 9.077 3.522 ( 1.157 2.956 -1.597) 3.554 3.654 ( -4.390 -7.751 -9.681) 13.156 3.957 ( 5.329 -3.608 0.130) 6.436 4.055 ( -1.108 -1.007 1.119) 1.869 4.334 ( 1.319 -2.270 0.548) 2.682 4.567 ( 4.027 -14.426 -1.511) 15.054 4.636 ( -2.340 1.611 3.873) 4.803 4.706 ( -0.562 0.313 1.848) 1.957 4.772 ( -0.917 -7.108 -3.176) 7.839 4.904 ( -6.579 -4.930 0.026) 8.221 5.022 ( -5.859 -1.268 4.204) 7.321 5.294 ( 0.107 6.606 0.398) 6.619 5.363 ( 0.402 -7.512 11.126) 13.430 5.431 ( -1.554 2.440 -2.184) 3.625 5.614 ( 0.007 2.041 2.020) 2.872 5.813 ( -8.571 3.114 -2.708) 9.513 6.028 ( -0.818 -0.108 -2.030) 2.191 6.129 ( 4.437 0.268 8.034) 9.182 6.157 ( 3.310 2.690 2.029) 4.723 6.335 ( -8.318 -7.027 -8.352) 13.723 6.458 ( -2.498 -8.325 2.877) 9.155 6.669 ( 1.327 -3.198 -1.180) 3.658 6.791 ( 2.184 1.494 -1.973) 3.301 6.993 ( 2.452 0.153 0.210) 2.465 7.141 ( 9.103 0.906 -10.945) 14.265 7.394 ( 0.551 3.242 4.204) 5.337 7.499 ( 0.322 -4.316 -6.024) 7.418 7.738 ( 0.114 0.715 4.149) 4.211 7.809 ( -0.315 2.802 6.313) 6.914 8.120 ( 4.208 -2.695 -0.317) 5.007 8.252 ( 3.525 1.099 0.274) 3.703 8.351 ( 3.557 -2.800 -2.064) 4.975 8.373 ( -0.489 3.060 -2.240) 3.824 8.573 ( -5.262 -0.292 8.829) 10.282 8.966 ( 2.084 1.905 -6.944) 7.496 9.259 ( -11.838 -2.186 -2.060) 12.213 9.362 ( -12.165 0.642 4.213) 12.890 9.766 ( 2.157 -0.314 -2.984) 3.695 9.846 ( -0.146 -3.006 -1.017) 3.177 10.134 ( -2.361 2.523 2.840) 4.473 10.286 ( 4.216 -2.583 9.733) 10.916 11.227 ( 0.332 5.406 6.631) 8.562 11.404 ( 3.252 0.234 -9.932) 10.454 11.589 ( 1.973 3.971 3.198) 5.467 12.055 ( -1.997 -0.436 -8.130) 8.383 12.312 ( -6.852 -6.862 -10.907) 14.595 12.637 ( 0.814 0.013 8.405) 8.444 13.689 ( 2.073 -0.254 4.202) 4.692 13.746 ( 1.080 -0.738 0.252) 1.332 14.592 ( 11.096 -3.442 7.595) 13.880 15.298 ( -19.167 -8.621 -23.335) 31.404 16.420 ( -1.570 5.200 16.051) 16.945 16.557 ( -9.503 0.019 -10.628) 14.257 18.243 ( -9.967 -0.740 7.534) 12.516 19.292 ( 5.964 -1.915 3.065) 6.974 19.777 ( 6.153 6.071 -13.522) 16.049 21.114 ( 6.115 0.639 6.823) 9.184 22.483 ( 0.076 0.162 0.692) 0.715 22.570 ( 0.423 -1.345 -0.454) 1.481 ======================= Grid point 27 (20/141) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -11.551 15.686 -1.585) 19.544 1.797 ( -9.288 25.604 -0.892) 27.251 2.368 ( 2.967 5.605 16.750) 17.911 2.681 ( -16.235 14.220 0.086) 21.582 2.736 ( -1.764 0.803 -8.789) 9.000 2.793 ( -15.944 6.730 -0.470) 17.313 3.155 ( -6.070 5.578 -6.983) 10.804 3.568 ( -2.180 0.516 -0.686) 2.343 3.705 ( 13.916 0.924 -3.153) 14.298 3.981 ( -5.108 -0.380 -2.103) 5.537 4.059 ( 0.624 2.135 4.055) 4.625 4.305 ( -4.632 0.827 -3.547) 5.893 4.533 ( -1.924 -2.101 3.786) 4.738 4.641 ( -0.396 1.952 -6.947) 7.227 4.777 ( 3.147 1.385 1.193) 3.639 4.881 ( -1.120 -7.665 -4.019) 8.727 4.912 ( 1.976 -5.940 3.336) 7.093 5.043 ( -2.858 -3.501 5.566) 7.170 5.237 ( 4.263 -0.879 -0.317) 4.365 5.376 ( -2.154 -0.231 0.725) 2.284 5.505 ( 1.147 -8.167 8.035) 11.514 5.610 ( 0.715 3.399 -0.917) 3.592 5.720 ( -3.481 -4.941 0.909) 6.112 5.988 ( -3.010 -2.386 -4.602) 5.995 6.186 ( 1.120 -0.752 1.517) 2.031 6.246 ( -3.477 -6.332 -2.251) 7.566 6.276 ( 2.759 -4.462 6.605) 8.435 6.464 ( -6.711 -7.535 3.012) 10.530 6.698 ( 1.184 -1.191 -1.893) 2.530 6.837 ( 5.460 2.166 -1.043) 5.966 7.014 ( 1.202 1.641 -0.036) 2.035 7.191 ( 2.273 0.828 -6.288) 6.738 7.458 ( 7.702 0.433 0.898) 7.767 7.541 ( 3.153 -5.174 -5.767) 8.364 7.759 ( 3.340 4.309 1.820) 5.747 7.825 ( -0.851 -2.872 6.249) 6.930 8.188 ( 0.859 -2.263 -0.278) 2.436 8.260 ( -2.856 5.975 -1.253) 6.740 8.297 ( 2.333 4.204 0.037) 4.809 8.398 ( -2.273 -3.704 -2.377) 4.953 8.550 ( -2.826 -1.880 4.632) 5.743 8.959 ( 1.040 -0.125 -5.597) 5.694 9.079 ( -11.046 -2.570 -1.929) 11.504 9.192 ( -8.645 2.514 2.142) 9.254 9.759 ( -1.470 0.842 -2.064) 2.671 9.876 ( 0.229 -3.334 0.633) 3.401 10.147 ( 5.725 4.531 9.667) 12.114 10.453 ( 6.580 -2.206 9.868) 12.064 11.164 ( -4.021 5.500 4.115) 7.960 11.399 ( 3.560 0.101 -13.620) 14.078 11.570 ( -1.230 4.369 3.674) 5.840 11.978 ( -2.166 2.395 -4.703) 5.705 12.210 ( -11.252 -11.200 -11.896) 19.838 12.707 ( 3.228 -0.366 4.724) 5.734 13.712 ( -1.046 0.324 2.869) 3.071 13.819 ( 4.494 -4.029 0.812) 6.090 14.853 ( 3.913 -3.678 -0.454) 5.389 14.988 ( -9.142 -10.460 -14.449) 20.044 16.304 ( -15.800 -0.358 -9.890) 18.643 16.413 ( -0.259 6.136 9.569) 11.370 18.145 ( -7.883 -0.614 7.042) 10.588 19.450 ( 5.512 -4.478 8.454) 11.041 19.730 ( 4.849 6.445 -15.761) 17.705 21.228 ( 6.427 2.400 6.410) 9.389 22.484 ( -0.061 0.335 1.065) 1.118 22.581 ( 0.249 -0.241 -0.627) 0.716 ======================= Grid point 28 (21/141) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -12.813 19.267 -6.046) 23.915 1.448 ( -4.925 26.970 8.194) 28.615 2.131 ( -14.798 32.302 -9.012) 36.656 2.376 ( -10.023 -5.489 5.050) 12.493 2.678 ( -2.098 -3.346 20.073) 20.458 2.736 ( 5.922 4.775 -6.442) 9.968 2.971 ( -4.593 4.792 -11.450) 13.235 3.494 ( -2.807 2.504 -0.726) 3.831 3.856 ( -6.013 3.532 -0.878) 7.029 3.883 ( 5.238 -0.681 -2.454) 5.825 4.055 ( 6.016 7.190 5.333) 10.786 4.228 ( -0.210 3.176 -2.315) 3.936 4.501 ( -7.594 3.845 -5.859) 10.334 4.613 ( 1.795 -4.446 2.923) 5.615 4.773 ( -1.113 0.814 -1.306) 1.899 4.864 ( -3.916 3.841 -0.794) 5.542 4.961 ( -0.236 -8.392 2.052) 8.643 5.130 ( 3.949 -4.040 0.651) 5.687 5.253 ( 1.412 4.849 2.974) 5.861 5.493 ( 6.579 -9.909 0.547) 11.907 5.615 ( 3.161 -3.996 0.339) 5.106 5.672 ( 2.460 -6.740 3.167) 7.843 5.705 ( -4.451 -3.699 -1.050) 5.882 5.965 ( -3.708 -8.218 0.589) 9.035 6.219 ( -5.101 -7.662 -3.156) 9.731 6.252 ( 2.639 -4.027 0.878) 4.894 6.409 ( 1.808 -5.338 3.385) 6.574 6.472 ( -1.482 -5.404 4.046) 6.911 6.720 ( 1.121 -0.182 -0.098) 1.140 6.905 ( 5.766 1.896 0.830) 6.126 7.010 ( 0.202 1.181 0.771) 1.425 7.142 ( -2.714 1.014 -6.026) 6.686 7.592 ( 7.074 -1.362 -0.474) 7.220 7.627 ( 4.231 -2.767 -3.888) 6.378 7.779 ( 3.746 3.828 3.089) 6.183 7.912 ( 3.048 -6.311 3.024) 7.633 8.108 ( -6.598 5.486 -2.937) 9.070 8.188 ( -1.604 -0.497 -2.514) 3.023 8.278 ( -1.016 5.054 2.684) 5.813 8.344 ( -4.516 0.053 -0.884) 4.602 8.561 ( -1.054 -3.383 0.779) 3.628 8.901 ( -5.362 -0.549 -1.209) 5.524 9.005 ( -0.869 -2.815 -3.346) 4.458 9.071 ( -3.543 3.388 0.130) 4.904 9.701 ( -3.081 1.147 -0.399) 3.312 9.915 ( 0.394 -2.874 0.421) 2.931 10.327 ( 14.725 5.484 15.812) 22.292 10.595 ( 3.852 -0.364 5.962) 7.107 11.059 ( -3.508 5.248 1.900) 6.592 11.392 ( 5.470 -0.439 -18.982) 19.760 11.515 ( -2.947 3.799 5.657) 7.424 11.905 ( -2.283 2.443 -1.264) 3.575 12.014 ( -20.343 -10.706 -12.516) 26.175 12.773 ( 2.496 -0.038 1.735) 3.040 13.698 ( -0.952 0.674 1.152) 1.639 13.945 ( 3.898 -6.333 0.681) 7.468 14.587 ( -18.248 -8.097 -20.969) 28.952 15.269 ( 18.185 -3.058 10.076) 21.014 15.981 ( -19.271 -0.966 -8.928) 21.261 16.383 ( -0.001 6.598 4.451) 7.959 18.068 ( -5.684 0.426 5.552) 7.957 19.560 ( -0.161 7.145 11.196) 13.282 19.713 ( 6.321 -6.149 -15.309) 17.668 21.338 ( 6.119 1.499 5.177) 8.155 22.485 ( 0.030 0.325 0.914) 0.971 22.579 ( 0.165 0.751 -0.382) 0.858 ======================= Grid point 29 (22/141) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 0.000 22.030 0.000) 22.030 1.169 ( 0.000 27.592 0.000) 27.592 1.594 ( 0.000 40.966 0.000) 40.966 2.346 ( -0.000 -6.420 -0.000) 6.420 2.727 ( 0.000 9.197 0.000) 9.197 2.801 ( -0.000 -0.100 -0.000) 0.100 2.857 ( -0.000 -8.987 -0.000) 8.987 3.451 ( 0.000 1.173 0.000) 1.173 3.761 ( 0.000 4.516 0.000) 4.516 3.873 ( 0.000 1.353 0.000) 1.353 4.117 ( 0.000 11.144 0.000) 11.144 4.194 ( 0.000 2.698 0.000) 2.698 4.318 ( 0.000 2.415 0.000) 2.415 4.681 ( -0.000 -0.978 -0.000) 0.978 4.704 ( 0.000 5.449 0.000) 5.449 4.858 ( -0.000 -6.107 -0.000) 6.107 5.060 ( -0.000 -9.392 -0.000) 9.392 5.112 ( 0.000 5.035 0.000) 5.035 5.331 ( -0.000 -4.029 -0.000) 4.029 5.611 ( -0.000 -0.035 -0.000) 0.035 5.692 ( -0.000 -0.370 -0.000) 0.370 5.699 ( -0.000 -9.808 -0.000) 9.808 5.778 ( -0.000 -11.600 -0.000) 11.600 6.045 ( -0.000 -7.347 -0.000) 7.347 6.222 ( -0.000 -8.772 -0.000) 8.772 6.338 ( -0.000 -5.882 -0.000) 5.882 6.470 ( -0.000 -3.633 -0.000) 3.633 6.523 ( -0.000 -2.417 -0.000) 2.417 6.727 ( 0.000 0.789 0.000) 0.789 6.954 ( 0.000 1.704 0.000) 1.704 7.007 ( -0.000 -0.181 -0.000) 0.181 7.088 ( -0.000 -1.188 -0.000) 1.188 7.655 ( 0.000 1.143 0.000) 1.143 7.678 ( -0.000 -4.320 -0.000) 4.320 7.840 ( -0.000 -1.104 -0.000) 1.104 7.951 ( 0.000 7.285 0.000) 7.285 8.043 ( -0.000 -6.462 -0.000) 6.462 8.135 ( 0.000 1.465 0.000) 1.465 8.228 ( 0.000 1.690 0.000) 1.690 8.273 ( 0.000 6.110 0.000) 6.110 8.590 ( -0.000 -4.761 -0.000) 4.761 8.854 ( -0.000 -0.138 -0.000) 0.138 9.010 ( 0.000 3.159 0.000) 3.159 9.016 ( -0.000 -1.970 -0.000) 1.970 9.657 ( 0.000 1.751 0.000) 1.751 9.944 ( -0.000 -2.070 -0.000) 2.070 10.556 ( 0.000 3.214 0.000) 3.214 10.612 ( -0.000 -1.185 -0.000) 1.185 10.985 ( 0.000 4.906 0.000) 4.906 11.411 ( -0.000 -1.415 -0.000) 1.415 11.463 ( 0.000 4.256 0.000) 4.256 11.762 ( -0.000 -4.296 -0.000) 4.296 11.863 ( 0.000 2.979 0.000) 2.979 12.796 ( 0.000 0.371 0.000) 0.371 13.686 ( 0.000 0.760 0.000) 0.760 14.055 ( -0.000 -7.521 -0.000) 7.521 14.391 ( -0.000 -1.846 -0.000) 1.846 15.573 ( 0.000 3.970 0.000) 3.970 15.711 ( -0.000 -8.439 -0.000) 8.439 16.326 ( 0.000 7.063 0.000) 7.063 18.020 ( 0.000 1.472 0.000) 1.472 19.473 ( 0.000 11.385 0.000) 11.385 19.831 ( -0.000 -10.245 -0.000) 10.245 21.414 ( -0.000 -1.058 -0.000) 1.058 22.487 ( -0.000 -0.022 -0.000) 0.022 22.570 ( 0.000 1.305 0.000) 1.305 ======================= Grid point 34 (23/141) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -0.917 -0.000 -4.075) 4.177 2.675 ( 4.669 0.000 -4.241) 6.307 2.702 ( 4.871 0.000 -1.546) 5.111 2.861 ( 10.402 0.000 -3.373) 10.935 3.133 ( 12.538 0.000 -4.339) 13.268 3.183 ( 3.225 0.000 8.130) 8.746 3.291 ( -12.253 -0.000 -0.351) 12.258 3.567 ( 4.225 0.000 -11.380) 12.139 3.701 ( -5.035 -0.000 -5.738) 7.634 3.787 ( 0.686 0.000 10.709) 10.731 3.883 ( -0.358 -0.000 -7.243) 7.252 4.149 ( -9.050 -0.000 6.246) 10.996 4.225 ( 3.533 0.000 1.703) 3.922 4.649 ( 1.420 0.000 3.151) 3.456 4.847 ( -5.260 -0.000 -4.245) 6.760 4.880 ( -10.587 -0.000 7.826) 13.165 4.985 ( -8.364 -0.000 -0.864) 8.409 5.084 ( -7.408 -0.000 4.802) 8.828 5.129 ( -0.261 -0.000 7.941) 7.945 5.323 ( 4.719 0.000 4.514) 6.530 5.418 ( 2.898 0.000 -5.083) 5.851 5.921 ( -2.173 -0.000 -1.846) 2.851 5.948 ( 1.146 0.000 0.706) 1.345 5.984 ( 6.942 0.000 3.147) 7.622 6.115 ( -16.372 -0.000 -9.201) 18.780 6.243 ( -4.238 -0.000 -0.138) 4.240 6.246 ( 4.819 0.000 -0.045) 4.819 6.443 ( -3.277 -0.000 2.586) 4.174 6.455 ( 1.620 0.000 5.513) 5.747 6.871 ( -4.566 -0.000 -6.842) 8.226 6.900 ( 5.247 0.000 2.569) 5.842 7.173 ( 3.690 0.000 -16.419) 16.828 7.384 ( 2.709 0.000 -4.590) 5.329 7.494 ( -4.831 -0.000 7.382) 8.822 7.769 ( 8.363 0.000 -0.671) 8.390 7.797 ( -4.405 -0.000 6.695) 8.014 8.089 ( 1.461 0.000 -1.955) 2.441 8.115 ( -1.309 -0.000 3.373) 3.618 8.229 ( 7.424 0.000 -1.581) 7.591 8.391 ( 5.833 0.000 0.420) 5.848 8.631 ( -6.057 -0.000 10.474) 12.099 9.104 ( -5.104 -0.000 -2.949) 5.894 9.347 ( -4.410 -0.000 -6.669) 7.995 9.528 ( -10.627 -0.000 5.016) 11.752 9.732 ( 2.103 0.000 -3.516) 4.097 9.758 ( 2.618 0.000 -1.931) 3.253 10.196 ( -2.600 -0.000 4.857) 5.509 10.234 ( -3.475 -0.000 0.130) 3.478 11.220 ( 7.336 0.000 8.547) 11.264 11.396 ( 3.348 0.000 -8.655) 9.281 11.583 ( 4.491 0.000 4.117) 6.092 12.099 ( -3.427 -0.000 -9.199) 9.817 12.374 ( -4.697 -0.000 -8.232) 9.478 12.620 ( -3.554 -0.000 10.164) 10.767 13.621 ( 2.887 0.000 4.421) 5.281 13.758 ( -0.322 -0.000 -2.806) 2.824 14.381 ( 3.361 0.000 2.862) 4.414 15.556 ( -15.519 -0.000 -16.992) 23.012 16.458 ( -4.676 -0.000 25.035) 25.468 16.700 ( -1.690 -0.000 -13.286) 13.393 18.387 ( -13.563 -0.000 7.604) 15.549 19.229 ( 0.966 0.000 1.691) 1.947 19.835 ( 9.133 0.000 -18.701) 20.812 20.938 ( 8.456 0.000 9.635) 12.820 22.482 ( 1.839 0.000 -1.512) 2.381 22.523 ( -0.652 -0.000 1.459) 1.598 ======================= Grid point 35 (24/141) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -7.573 3.610 -4.672) 9.603 2.575 ( -4.741 15.083 -1.750) 15.908 2.627 ( -2.259 8.310 -2.898) 9.086 2.911 ( -8.167 0.753 5.839) 10.067 2.976 ( -13.710 4.325 -4.539) 15.075 3.242 ( 0.783 2.427 -2.297) 3.432 3.363 ( 2.658 -4.615 2.401) 5.842 3.578 ( 11.179 5.752 -8.274) 15.051 3.613 ( -1.782 4.560 -3.830) 6.216 3.857 ( 6.257 -1.766 0.924) 6.567 4.065 ( -3.396 -7.006 5.666) 9.629 4.148 ( 14.561 -14.052 0.072) 20.236 4.281 ( 1.995 -2.560 -1.171) 3.450 4.648 ( -7.281 -0.089 10.717) 12.957 4.709 ( -7.557 0.035 1.257) 7.661 4.766 ( 0.184 1.823 -8.152) 8.355 4.826 ( -7.985 -2.626 -2.402) 8.742 5.039 ( -3.506 1.586 5.834) 6.989 5.224 ( 0.096 -5.098 11.249) 12.350 5.386 ( 0.948 4.070 -0.545) 4.214 5.443 ( 2.658 -1.585 -1.390) 3.393 5.724 ( -10.859 4.611 -2.380) 12.035 5.849 ( -7.843 4.247 -6.437) 10.999 6.036 ( -0.428 -9.221 -2.921) 9.682 6.088 ( 1.326 0.692 4.477) 4.720 6.152 ( -0.837 4.000 -1.511) 4.357 6.300 ( -2.792 -6.842 0.214) 7.393 6.339 ( -7.918 3.713 4.507) 9.839 6.555 ( 1.146 -6.292 3.202) 7.152 6.832 ( 4.112 1.819 -4.046) 6.049 6.994 ( 4.273 -0.003 1.632) 4.575 7.172 ( 7.716 1.366 -14.390) 16.385 7.420 ( 1.372 -2.214 -3.553) 4.405 7.455 ( -2.874 1.503 9.414) 9.957 7.757 ( -1.665 1.401 2.785) 3.535 7.879 ( 5.749 2.261 -1.301) 6.313 8.080 ( 2.089 0.557 -1.122) 2.436 8.167 ( 0.177 -6.591 0.469) 6.610 8.345 ( 6.908 0.841 -0.594) 6.984 8.447 ( 1.984 2.413 -0.454) 3.157 8.578 ( -5.712 0.378 7.647) 9.552 8.989 ( -4.884 0.461 -3.999) 6.329 9.229 ( -9.049 -0.760 -2.809) 9.506 9.376 ( -10.920 0.483 6.001) 12.470 9.751 ( 1.470 -0.716 -1.698) 2.357 9.799 ( 2.975 -1.392 -5.481) 6.389 10.188 ( -0.307 2.813 6.282) 6.890 10.239 ( 2.148 -2.411 9.093) 9.650 11.308 ( 0.016 2.481 6.729) 7.172 11.402 ( 3.211 -0.315 -10.893) 11.361 11.649 ( 1.604 1.781 4.978) 5.525 12.045 ( 2.025 -0.472 -9.939) 10.155 12.219 ( -9.981 -2.366 -10.942) 14.998 12.635 ( -0.291 -0.114 8.971) 8.976 13.687 ( 2.245 -0.030 4.666) 5.178 13.736 ( -0.747 -0.274 -1.734) 1.908 14.540 ( 11.881 -1.490 8.201) 14.513 15.195 ( -19.885 -2.351 -18.773) 27.447 16.496 ( -2.031 2.433 15.123) 15.451 16.553 ( -9.128 -0.510 -10.682) 14.060 18.241 ( -8.925 0.105 5.646) 10.562 19.268 ( 2.506 -0.608 3.339) 4.218 19.868 ( 6.754 2.652 -14.829) 16.509 21.113 ( 7.526 -0.319 7.732) 10.795 22.494 ( 0.938 1.058 -0.388) 1.466 22.535 ( 0.266 -1.877 0.467) 1.953 ======================= Grid point 36 (25/141) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( -9.503 8.869 -3.788) 13.539 2.254 ( -12.521 18.865 1.639) 22.701 2.491 ( -7.938 4.969 2.993) 9.831 2.657 ( -15.485 -2.974 2.214) 15.923 2.843 ( -3.277 2.947 -2.143) 4.901 3.063 ( -7.175 13.421 -4.534) 15.879 3.332 ( -3.782 9.646 0.467) 10.372 3.585 ( 5.168 3.369 -4.296) 7.518 3.743 ( 13.758 2.968 -1.837) 14.194 3.929 ( -1.604 -3.357 -1.556) 4.033 4.126 ( 5.660 3.052 5.494) 8.458 4.290 ( 0.532 -2.034 -4.633) 5.088 4.495 ( -3.505 -2.589 3.272) 5.449 4.601 ( 5.062 -13.961 -0.778) 14.871 4.707 ( 0.595 -0.077 -4.200) 4.242 4.774 ( 4.864 -5.545 7.808) 10.741 4.811 ( 3.103 -4.288 -1.259) 5.441 4.932 ( -7.399 4.242 -0.830) 8.570 5.299 ( -3.496 -3.766 3.559) 6.251 5.353 ( 0.731 -3.127 4.913) 5.870 5.434 ( -2.513 6.212 -0.744) 6.742 5.606 ( -3.536 -4.875 1.416) 6.186 5.704 ( -2.677 3.144 -4.040) 5.776 5.959 ( -10.820 -0.460 -7.154) 12.980 6.077 ( -1.725 -6.227 -5.119) 8.243 6.183 ( -0.030 0.334 1.718) 1.750 6.243 ( -3.113 -1.882 11.101) 11.681 6.307 ( -5.213 -7.901 0.369) 9.473 6.626 ( -0.117 -5.185 -0.027) 5.187 6.895 ( 7.593 3.204 -2.133) 8.513 7.046 ( 2.311 1.161 0.438) 2.623 7.225 ( 5.457 1.637 -8.201) 9.985 7.427 ( -0.505 -1.202 6.705) 6.831 7.501 ( 4.716 -0.973 -0.422) 4.834 7.749 ( 0.119 -0.945 0.410) 1.037 7.898 ( 3.175 6.162 -0.170) 6.934 8.122 ( 0.917 -2.881 -2.493) 3.919 8.243 ( 1.189 -7.053 -1.263) 7.263 8.391 ( -0.205 3.221 0.109) 3.230 8.405 ( -0.680 4.828 -0.119) 4.877 8.532 ( -3.311 -0.323 4.557) 5.642 8.929 ( -1.761 -2.506 -3.328) 4.523 9.053 ( -11.248 -0.169 -2.144) 11.451 9.243 ( -6.789 2.231 3.787) 8.088 9.763 ( -0.505 -0.239 -2.870) 2.923 9.813 ( 0.137 -2.631 -2.258) 3.470 10.244 ( 7.232 5.100 12.379) 15.217 10.409 ( 8.063 -2.576 12.180) 14.832 11.255 ( -4.565 3.632 2.771) 6.458 11.396 ( 2.951 -0.409 -13.845) 14.162 11.639 ( -3.293 2.579 5.483) 6.896 12.007 ( -11.768 -3.476 -6.357) 13.819 12.057 ( 1.382 -0.603 -11.716) 11.813 12.695 ( 2.469 -0.701 5.820) 6.361 13.716 ( -0.850 -0.088 1.572) 1.789 13.753 ( 2.321 -2.227 0.822) 3.320 14.796 ( -11.028 -1.939 -11.121) 15.781 14.857 ( 8.205 -3.749 4.160) 9.934 16.298 ( -15.133 -0.159 -10.801) 18.593 16.515 ( -0.601 3.791 9.505) 10.251 18.147 ( -5.619 0.442 3.926) 6.869 19.359 ( 3.678 -3.784 4.839) 7.160 19.853 ( 4.247 5.053 -11.975) 13.674 21.253 ( 6.100 0.478 5.763) 8.406 22.495 ( 0.444 0.920 0.408) 1.100 22.561 ( 0.438 -1.668 -0.198) 1.736 ======================= Grid point 37 (26/141) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -12.287 14.264 -2.897) 19.048 1.912 ( -6.966 19.576 3.421) 21.059 2.293 ( -13.390 -3.102 1.464) 13.822 2.594 ( -1.715 -2.652 7.240) 7.899 2.747 ( -3.617 27.328 -4.861) 27.991 2.781 ( -1.583 0.297 -2.647) 3.099 3.170 ( -1.525 12.712 -1.294) 12.868 3.579 ( 1.294 5.823 -1.744) 6.214 3.862 ( 1.472 -1.123 0.185) 1.861 3.897 ( -1.705 0.732 -3.051) 3.571 4.198 ( 7.990 6.857 2.745) 10.881 4.281 ( 1.316 2.482 -0.179) 2.815 4.497 ( -0.522 -4.284 1.813) 4.681 4.616 ( -2.664 5.871 -2.703) 6.991 4.752 ( 0.334 -8.944 -5.052) 10.277 4.809 ( -1.565 1.840 -2.702) 3.625 4.928 ( 1.757 -2.826 6.456) 7.263 5.023 ( 4.151 -7.380 2.525) 8.836 5.286 ( 1.649 -2.012 0.910) 2.756 5.355 ( 0.247 0.459 -1.354) 1.450 5.471 ( 0.802 -9.401 7.226) 11.884 5.612 ( -3.189 -4.990 -1.784) 6.185 5.646 ( -0.233 0.443 -0.563) 0.753 5.791 ( -9.441 -7.534 -4.720) 12.968 6.071 ( -2.926 -5.693 -4.792) 7.996 6.197 ( 0.317 -2.582 1.725) 3.122 6.299 ( -1.748 -6.216 0.989) 6.532 6.333 ( -1.042 -7.463 5.991) 9.627 6.668 ( -0.164 -4.724 -0.578) 4.762 6.970 ( 6.853 3.871 -0.348) 7.878 7.051 ( 0.936 2.538 -0.534) 2.758 7.196 ( -2.458 3.985 -0.760) 4.743 7.518 ( 5.213 -4.204 -0.293) 6.703 7.599 ( 5.241 -2.041 0.345) 5.635 7.781 ( 0.009 -4.822 -0.124) 4.823 7.878 ( 1.731 5.547 0.777) 5.862 8.121 ( -1.211 -0.964 -1.886) 2.440 8.279 ( -5.402 3.509 -2.066) 6.765 8.311 ( 0.726 0.244 -1.210) 1.432 8.362 ( -1.103 2.476 2.593) 3.752 8.520 ( -1.224 -1.074 1.676) 2.336 8.888 ( -6.924 -0.703 -1.864) 7.205 8.938 ( -0.571 -3.622 -1.513) 3.967 9.151 ( -2.427 4.176 0.717) 4.883 9.718 ( -2.257 0.690 -1.851) 2.999 9.848 ( 0.351 -3.725 -0.005) 3.742 10.430 ( 12.609 4.889 15.884) 20.861 10.601 ( 6.829 0.824 8.547) 10.971 11.153 ( -3.745 4.085 0.709) 5.588 11.374 ( 2.692 -1.128 -15.728) 15.997 11.570 ( -4.133 1.811 3.239) 5.554 11.797 ( -16.805 -8.222 -6.628) 19.848 12.025 ( 1.611 5.731 -4.338) 7.366 12.765 ( 2.350 -0.788 2.386) 3.440 13.708 ( -0.678 0.184 0.791) 1.058 13.830 ( 2.221 -4.840 0.340) 5.336 14.487 ( -13.766 -3.010 -13.055) 19.209 15.214 ( 18.892 -2.392 12.076) 22.549 15.975 ( -18.444 0.231 -10.579) 21.263 16.500 ( -0.037 5.052 4.398) 6.698 18.086 ( -3.200 1.083 2.517) 4.213 19.494 ( 2.808 -7.268 5.805) 9.716 19.790 ( 2.051 7.474 -9.400) 12.183 21.352 ( 4.041 0.314 3.487) 5.347 22.494 ( 0.176 0.712 0.467) 0.869 22.577 ( 0.189 -0.866 -0.245) 0.920 ======================= Grid point 38 (27/141) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 0.000 17.359 0.000) 17.359 1.664 ( 0.000 22.521 0.000) 22.521 2.223 ( -0.000 -5.456 -0.000) 5.456 2.370 ( 0.000 37.298 0.000) 37.298 2.655 ( -0.000 -6.122 -0.000) 6.122 2.777 ( -0.000 -1.920 -0.000) 1.920 3.023 ( 0.000 14.150 0.000) 14.150 3.522 ( 0.000 5.751 0.000) 5.751 3.837 ( 0.000 3.084 0.000) 3.084 3.874 ( -0.000 -0.678 -0.000) 0.678 4.264 ( 0.000 2.498 0.000) 2.498 4.265 ( 0.000 4.603 0.000) 4.603 4.461 ( 0.000 12.145 0.000) 12.145 4.565 ( -0.000 -7.577 -0.000) 7.577 4.772 ( 0.000 2.397 0.000) 2.397 4.823 ( -0.000 -5.889 -0.000) 5.889 4.910 ( 0.000 0.366 0.000) 0.366 5.119 ( -0.000 -4.962 -0.000) 4.962 5.312 ( 0.000 2.031 0.000) 2.031 5.447 ( -0.000 -12.180 -0.000) 12.180 5.596 ( -0.000 -1.769 -0.000) 1.769 5.609 ( -0.000 -7.566 -0.000) 7.566 5.684 ( -0.000 -1.983 -0.000) 1.983 5.802 ( -0.000 -16.081 -0.000) 16.081 6.074 ( -0.000 -5.829 -0.000) 5.829 6.239 ( -0.000 -3.364 -0.000) 3.364 6.356 ( -0.000 -7.621 -0.000) 7.621 6.421 ( -0.000 -7.315 -0.000) 7.315 6.709 ( -0.000 -3.556 -0.000) 3.556 7.007 ( 0.000 3.342 0.000) 3.342 7.037 ( 0.000 2.512 0.000) 2.512 7.105 ( 0.000 4.043 0.000) 4.043 7.602 ( -0.000 -3.243 -0.000) 3.243 7.676 ( -0.000 -0.707 -0.000) 0.707 7.851 ( -0.000 -10.244 -0.000) 10.244 7.855 ( 0.000 2.467 0.000) 2.467 8.102 ( 0.000 7.394 0.000) 7.394 8.158 ( 0.000 0.871 0.000) 0.871 8.279 ( 0.000 3.138 0.000) 3.138 8.354 ( 0.000 1.880 0.000) 1.880 8.528 ( -0.000 -1.912 -0.000) 1.912 8.839 ( -0.000 -1.414 -0.000) 1.414 8.965 ( -0.000 -3.112 -0.000) 3.112 9.088 ( 0.000 4.723 0.000) 4.723 9.683 ( 0.000 1.066 0.000) 1.066 9.888 ( -0.000 -3.571 -0.000) 3.571 10.606 ( 0.000 0.658 0.000) 0.658 10.635 ( 0.000 4.743 0.000) 4.743 11.081 ( 0.000 4.571 0.000) 4.571 11.374 ( -0.000 -2.306 -0.000) 2.306 11.527 ( 0.000 1.961 0.000) 1.961 11.660 ( -0.000 -5.789 -0.000) 5.789 11.962 ( 0.000 6.756 0.000) 6.756 12.796 ( -0.000 -0.414 -0.000) 0.414 13.701 ( 0.000 0.620 0.000) 0.620 13.909 ( -0.000 -6.841 -0.000) 6.841 14.355 ( -0.000 -1.752 -0.000) 1.752 15.566 ( -0.000 -6.152 -0.000) 6.152 15.651 ( 0.000 3.739 0.000) 3.739 16.457 ( 0.000 6.032 0.000) 6.032 18.051 ( 0.000 1.592 0.000) 1.592 19.625 ( -0.000 -10.113 -0.000) 10.113 19.690 ( 0.000 10.178 0.000) 10.178 21.399 ( -0.000 -0.514 -0.000) 0.514 22.491 ( 0.000 0.442 0.000) 0.442 22.582 ( -0.000 -0.082 -0.000) 0.082 ======================= Grid point 45 (28/141) ======================= q-point: ( 0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( -7.717 -0.000 -3.756) 8.583 2.484 ( -16.070 -0.000 0.495) 16.078 2.499 ( -18.543 -0.000 -1.112) 18.577 2.636 ( -9.733 -0.000 0.259) 9.737 2.866 ( -7.025 -0.000 -2.801) 7.563 3.223 ( -1.457 -0.000 -2.026) 2.496 3.381 ( -0.217 -0.000 2.308) 2.318 3.690 ( 6.242 0.000 -2.578) 6.753 3.834 ( 10.917 0.000 -1.669) 11.044 3.881 ( -2.701 -0.000 0.613) 2.769 4.112 ( 12.768 0.000 1.405) 12.845 4.292 ( 4.210 0.000 0.265) 4.219 4.330 ( 15.496 0.000 -2.497) 15.696 4.509 ( -9.953 -0.000 5.449) 11.347 4.698 ( -4.099 -0.000 0.671) 4.153 4.702 ( 1.277 0.000 7.964) 8.066 4.805 ( 6.123 0.000 -8.248) 10.273 5.032 ( -2.439 -0.000 2.487) 3.483 5.187 ( -8.424 -0.000 2.974) 8.933 5.359 ( -2.098 -0.000 -6.209) 6.554 5.470 ( 0.599 0.000 2.718) 2.783 5.550 ( -5.413 -0.000 1.477) 5.611 5.800 ( -5.477 -0.000 -2.881) 6.189 5.870 ( -5.333 -0.000 -11.375) 12.563 6.123 ( -10.317 -0.000 2.541) 10.626 6.140 ( -1.601 -0.000 4.872) 5.128 6.198 ( 2.564 0.000 1.148) 2.809 6.227 ( -9.747 -0.000 4.166) 10.600 6.563 ( 1.001 0.000 1.815) 2.073 6.933 ( 7.773 0.000 -2.451) 8.150 7.055 ( 2.470 0.000 0.795) 2.595 7.238 ( 7.316 0.000 -11.351) 13.504 7.444 ( 4.348 0.000 -6.253) 7.616 7.467 ( -4.220 -0.000 19.282) 19.738 7.747 ( -0.006 -0.000 -2.345) 2.345 7.991 ( 6.638 0.000 -4.321) 7.920 8.096 ( 0.273 0.000 -3.292) 3.303 8.131 ( 0.938 0.000 1.170) 1.499 8.417 ( 0.627 0.000 1.504) 1.629 8.467 ( -1.001 -0.000 -1.094) 1.483 8.530 ( -3.557 -0.000 4.520) 5.752 8.897 ( -3.250 -0.000 -2.098) 3.868 9.054 ( -10.995 -0.000 -2.472) 11.269 9.266 ( -6.306 -0.000 4.971) 8.030 9.758 ( 0.574 0.000 -0.101) 0.582 9.786 ( -0.313 -0.000 -6.717) 6.724 10.323 ( 5.827 0.000 14.046) 15.207 10.357 ( 10.637 0.000 12.374) 16.318 11.294 ( -5.062 -0.000 2.574) 5.679 11.389 ( 3.069 0.000 -14.623) 14.942 11.666 ( -4.373 -0.000 7.486) 8.670 11.947 ( -14.450 -0.000 -13.571) 19.824 12.076 ( 5.658 0.000 -6.370) 8.520 12.687 ( 2.047 0.000 6.361) 6.682 13.710 ( -0.862 -0.000 -1.364) 1.614 13.736 ( 1.574 0.000 3.306) 3.662 14.778 ( -19.427 -0.000 -16.647) 25.584 14.822 ( 17.417 0.000 12.037) 21.171 16.297 ( -14.831 -0.000 -11.355) 18.678 16.553 ( -0.675 -0.000 9.625) 9.649 18.153 ( -5.049 -0.000 3.008) 5.877 19.320 ( 2.448 0.000 4.271) 4.923 19.905 ( 4.299 0.000 -11.405) 12.188 21.256 ( 6.184 0.000 5.754) 8.447 22.517 ( 1.088 0.000 -1.027) 1.496 22.529 ( 0.173 0.000 1.161) 1.174 ======================= Grid point 47 (29/141) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -10.617 6.643 -2.319) 12.737 2.170 ( -12.820 4.702 1.445) 13.731 2.250 ( -12.610 0.422 0.976) 12.654 2.564 ( -1.434 -0.549 -1.209) 1.954 2.766 ( -4.409 -0.623 -0.585) 4.491 3.156 ( 0.787 11.857 -0.745) 11.906 3.358 ( -1.941 4.253 1.654) 4.959 3.714 ( 2.929 6.631 -2.622) 7.709 3.856 ( 0.404 0.718 1.560) 1.764 3.891 ( -0.716 -0.991 -1.822) 2.194 4.280 ( 4.655 1.255 -4.744) 6.763 4.370 ( 8.685 6.712 4.192) 11.750 4.457 ( 0.589 0.246 4.611) 4.655 4.561 ( 3.984 -7.957 -2.835) 9.340 4.738 ( 6.792 -3.717 0.862) 7.791 4.772 ( -4.027 -0.648 4.307) 5.932 4.854 ( 2.959 1.016 -3.301) 4.548 4.941 ( 5.635 2.488 -0.756) 6.206 5.128 ( -6.900 -14.736 -0.498) 16.279 5.362 ( 0.521 -0.811 2.118) 2.327 5.440 ( -4.139 3.285 -3.196) 6.175 5.508 ( -2.965 -0.596 1.787) 3.513 5.697 ( -1.783 2.083 -2.309) 3.585 5.710 ( -9.513 -1.525 -4.908) 10.812 6.009 ( -3.624 -1.161 -0.255) 3.814 6.123 ( -4.657 -3.583 4.378) 7.328 6.164 ( -3.284 -5.951 -0.098) 6.797 6.248 ( 1.207 -1.430 2.888) 3.441 6.584 ( -0.368 -2.621 0.179) 2.653 7.030 ( 6.501 1.746 -1.889) 6.991 7.083 ( 1.260 0.636 -0.163) 1.421 7.262 ( 0.475 1.848 -2.970) 3.530 7.474 ( 3.659 0.361 0.893) 3.784 7.535 ( -0.285 -3.551 9.051) 9.727 7.740 ( 1.210 -0.387 -4.958) 5.118 7.977 ( -1.778 3.591 -1.352) 4.229 8.122 ( 4.746 1.784 -3.022) 5.903 8.204 ( 3.117 -5.466 -1.702) 6.518 8.380 ( -4.901 1.195 3.075) 5.908 8.417 ( -1.934 3.035 -0.621) 3.652 8.511 ( -1.345 -0.070 2.308) 2.673 8.876 ( -3.172 -1.536 -0.916) 3.642 8.879 ( -5.692 -0.858 -2.279) 6.191 9.214 ( -1.769 1.860 1.900) 3.194 9.735 ( -1.371 1.117 -2.737) 3.259 9.782 ( 0.176 -2.673 -0.379) 2.705 10.505 ( 9.320 2.325 15.106) 17.902 10.616 ( 11.448 0.482 11.721) 16.392 11.211 ( -3.982 1.647 -0.701) 4.366 11.355 ( 1.427 -0.653 -15.886) 15.963 11.597 ( -6.503 1.225 4.795) 8.172 11.671 ( -14.162 -4.200 -8.795) 17.192 12.119 ( 3.540 2.904 -3.020) 5.485 12.749 ( 2.125 -0.583 3.021) 3.739 13.701 ( -0.221 -0.646 -0.413) 0.798 13.773 ( 1.086 -1.074 1.359) 2.044 14.451 ( -12.720 -0.850 -10.659) 16.618 15.181 ( 18.741 -0.893 12.746) 22.682 15.982 ( -17.262 0.254 -11.260) 20.612 16.570 ( -0.246 1.868 4.403) 4.789 18.103 ( -2.414 0.502 1.369) 2.821 19.389 ( 1.909 -2.942 3.337) 4.841 19.897 ( 1.959 2.927 -6.703) 7.572 21.356 ( 3.539 0.066 3.098) 4.704 22.515 ( 0.427 1.412 0.013) 1.475 22.550 ( 0.311 -1.654 0.108) 1.686 ======================= Grid point 48 (30/141) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 0.000 11.788 0.000) 11.788 2.014 ( 0.000 10.973 0.000) 10.973 2.142 ( -0.000 -1.605 -0.000) 1.605 2.571 ( -0.000 -2.695 -0.000) 2.695 2.740 ( -0.000 -1.590 -0.000) 1.590 2.989 ( 0.000 23.643 0.000) 23.643 3.271 ( 0.000 9.907 0.000) 9.907 3.657 ( 0.000 7.524 0.000) 7.524 3.864 ( -0.000 -0.106 -0.000) 0.106 3.876 ( 0.000 0.630 0.000) 0.630 4.283 ( 0.000 0.172 0.000) 0.172 4.394 ( 0.000 9.395 0.000) 9.395 4.466 ( -0.000 -1.152 -0.000) 1.152 4.653 ( -0.000 -8.551 -0.000) 8.551 4.653 ( 0.000 5.650 0.000) 5.650 4.816 ( 0.000 1.588 0.000) 1.588 4.987 ( -0.000 -7.522 -0.000) 7.522 4.988 ( 0.000 2.561 0.000) 2.561 5.273 ( -0.000 -1.229 -0.000) 1.229 5.312 ( -0.000 -22.436 -0.000) 22.436 5.402 ( 0.000 3.344 0.000) 3.344 5.477 ( -0.000 -4.389 -0.000) 4.389 5.627 ( 0.000 0.354 0.000) 0.354 5.691 ( -0.000 -1.238 -0.000) 1.238 5.996 ( -0.000 -2.458 -0.000) 2.458 6.177 ( -0.000 -3.934 -0.000) 3.934 6.180 ( -0.000 -9.836 -0.000) 9.836 6.292 ( -0.000 -4.221 -0.000) 4.221 6.616 ( -0.000 -4.529 -0.000) 4.529 7.070 ( 0.000 2.614 0.000) 2.614 7.078 ( 0.000 1.380 0.000) 1.380 7.210 ( 0.000 5.091 0.000) 5.091 7.558 ( -0.000 -1.302 -0.000) 1.302 7.574 ( -0.000 -6.924 -0.000) 6.924 7.749 ( -0.000 -1.585 -0.000) 1.585 7.918 ( 0.000 3.319 0.000) 3.319 8.173 ( 0.000 0.838 0.000) 0.838 8.205 ( 0.000 2.797 0.000) 2.797 8.351 ( -0.000 -1.757 -0.000) 1.757 8.357 ( 0.000 4.652 0.000) 4.652 8.507 ( -0.000 -0.363 -0.000) 0.363 8.808 ( -0.000 -1.446 -0.000) 1.446 8.901 ( -0.000 -3.173 -0.000) 3.173 9.178 ( 0.000 3.802 0.000) 3.802 9.703 ( 0.000 1.110 0.000) 1.110 9.814 ( -0.000 -3.591 -0.000) 3.591 10.631 ( 0.000 1.528 0.000) 1.528 10.729 ( 0.000 4.317 0.000) 4.317 11.153 ( 0.000 2.575 0.000) 2.575 11.328 ( -0.000 -2.098 -0.000) 2.098 11.527 ( -0.000 -2.816 -0.000) 2.816 11.570 ( -0.000 -1.630 -0.000) 1.630 12.095 ( 0.000 5.846 0.000) 5.846 12.782 ( -0.000 -0.868 -0.000) 0.868 13.705 ( -0.000 -0.338 -0.000) 0.338 13.807 ( -0.000 -3.251 -0.000) 3.251 14.326 ( -0.000 -1.096 -0.000) 1.096 15.475 ( -0.000 -3.145 -0.000) 3.145 15.711 ( 0.000 2.232 0.000) 2.232 16.552 ( 0.000 3.503 0.000) 3.503 18.079 ( 0.000 1.071 0.000) 1.071 19.460 ( -0.000 -6.234 -0.000) 6.234 19.851 ( 0.000 5.889 0.000) 5.889 21.393 ( -0.000 -0.124 -0.000) 0.124 22.506 ( 0.000 1.142 0.000) 1.142 22.567 ( -0.000 -1.320 -0.000) 1.320 ======================= Grid point 58 (31/141) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -0.000 -0.000 -0.000) 0.000 2.046 ( -0.000 -0.000 -0.000) 0.000 2.194 ( -0.000 -0.000 -0.000) 0.000 2.544 ( -0.000 -0.000 -0.000) 0.000 2.723 ( -0.000 -0.000 -0.000) 0.000 3.223 ( -0.000 -0.000 -0.000) 0.000 3.372 ( -0.000 -0.000 -0.000) 0.000 3.761 ( 0.000 0.000 0.000) 0.000 3.866 ( -0.000 -0.000 -0.000) 0.000 3.867 ( -0.000 -0.000 -0.000) 0.000 4.282 ( -0.000 -0.000 -0.000) 0.000 4.477 ( -0.000 -0.000 -0.000) 0.000 4.532 ( 0.000 0.000 0.000) 0.000 4.651 ( -0.000 -0.000 -0.000) 0.000 4.701 ( -0.000 -0.000 -0.000) 0.000 4.812 ( 0.000 0.000 0.000) 0.000 4.839 ( -0.000 -0.000 -0.000) 0.000 4.879 ( 0.000 0.000 0.000) 0.000 5.130 ( -0.000 -0.000 -0.000) 0.000 5.299 ( -0.000 -0.000 -0.000) 0.000 5.377 ( -0.000 -0.000 -0.000) 0.000 5.511 ( -0.000 -0.000 -0.000) 0.000 5.639 ( -0.000 -0.000 -0.000) 0.000 5.674 ( -0.000 -0.000 -0.000) 0.000 5.966 ( -0.000 -0.000 -0.000) 0.000 6.054 ( -0.000 -0.000 -0.000) 0.000 6.122 ( -0.000 -0.000 -0.000) 0.000 6.259 ( -0.000 -0.000 -0.000) 0.000 6.568 ( -0.000 -0.000 -0.000) 0.000 7.091 ( -0.000 -0.000 -0.000) 0.000 7.097 ( -0.000 -0.000 -0.000) 0.000 7.262 ( 0.000 0.000 0.000) 0.000 7.503 ( -0.000 -0.000 -0.000) 0.000 7.546 ( -0.000 -0.000 -0.000) 0.000 7.733 ( -0.000 -0.000 -0.000) 0.000 7.956 ( -0.000 -0.000 -0.000) 0.000 8.186 ( -0.000 -0.000 -0.000) 0.000 8.228 ( -0.000 -0.000 -0.000) 0.000 8.323 ( -0.000 -0.000 -0.000) 0.000 8.414 ( -0.000 -0.000 -0.000) 0.000 8.505 ( -0.000 -0.000 -0.000) 0.000 8.793 ( -0.000 -0.000 -0.000) 0.000 8.863 ( -0.000 -0.000 -0.000) 0.000 9.218 ( -0.000 -0.000 -0.000) 0.000 9.723 ( -0.000 -0.000 -0.000) 0.000 9.768 ( 0.000 0.000 0.000) 0.000 10.649 ( -0.000 -0.000 -0.000) 0.000 10.777 ( -0.000 -0.000 -0.000) 0.000 11.178 ( -0.000 -0.000 -0.000) 0.000 11.305 ( -0.000 -0.000 -0.000) 0.000 11.485 ( -0.000 -0.000 -0.000) 0.000 11.562 ( -0.000 -0.000 -0.000) 0.000 12.158 ( -0.000 -0.000 -0.000) 0.000 12.771 ( -0.000 -0.000 -0.000) 0.000 13.697 ( -0.000 -0.000 -0.000) 0.000 13.779 ( -0.000 -0.000 -0.000) 0.000 14.315 ( -0.000 -0.000 -0.000) 0.000 15.444 ( -0.000 -0.000 -0.000) 0.000 15.733 ( -0.000 -0.000 -0.000) 0.000 16.587 ( -0.000 -0.000 -0.000) 0.000 18.090 ( -0.000 -0.000 -0.000) 0.000 19.397 ( -0.000 -0.000 -0.000) 0.000 19.910 ( -0.000 -0.000 -0.000) 0.000 21.392 ( -0.000 -0.000 -0.000) 0.000 22.530 ( -0.000 -0.000 -0.000) 0.000 22.541 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 105 (32/141) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 8.251 0.000 27.844) 29.041 0.595 ( -6.706 -0.000 28.407) 29.188 1.046 ( 3.008 0.000 48.139) 48.233 2.208 ( -0.465 -0.000 -16.911) 16.917 2.432 ( -3.885 -0.000 -26.044) 26.332 2.611 ( 5.052 0.000 3.510) 6.151 3.283 ( 1.143 0.000 -10.266) 10.329 3.489 ( -4.507 -0.000 -8.816) 9.901 3.635 ( 4.854 0.000 6.249) 7.913 3.809 ( 1.608 0.000 4.766) 5.030 3.923 ( -1.879 -0.000 8.863) 9.060 4.158 ( -12.119 -0.000 0.738) 12.142 4.404 ( -0.857 -0.000 -4.292) 4.377 4.451 ( 5.645 0.000 13.105) 14.269 4.524 ( -0.551 -0.000 1.835) 1.916 4.715 ( 1.283 0.000 -0.201) 1.299 4.998 ( -4.607 -0.000 -0.546) 4.639 5.138 ( 0.995 0.000 -4.851) 4.952 5.435 ( -0.829 -0.000 -5.476) 5.538 5.562 ( -1.574 -0.000 -5.517) 5.738 5.670 ( 3.490 0.000 5.132) 6.206 5.776 ( 2.614 0.000 -1.905) 3.234 6.173 ( -6.748 -0.000 -3.965) 7.827 6.195 ( 3.448 0.000 -2.914) 4.515 6.301 ( 0.454 0.000 0.954) 1.057 6.361 ( -1.865 -0.000 -1.154) 2.193 6.453 ( 4.089 0.000 -0.787) 4.164 6.679 ( -4.062 -0.000 5.145) 6.556 6.786 ( 3.329 0.000 7.843) 8.521 6.807 ( -3.592 -0.000 -5.268) 6.376 7.141 ( 3.709 0.000 2.621) 4.542 7.219 ( -2.413 -0.000 8.402) 8.741 7.572 ( -3.007 -0.000 -4.603) 5.499 7.829 ( 3.551 0.000 0.897) 3.663 7.853 ( -3.660 -0.000 -2.298) 4.321 7.921 ( -1.530 -0.000 -1.319) 2.021 8.012 ( 9.847 0.000 -2.197) 10.089 8.028 ( 4.545 0.000 -3.103) 5.503 8.113 ( -14.291 -0.000 2.787) 14.560 8.269 ( 0.618 0.000 0.998) 1.174 8.823 ( -3.937 -0.000 2.287) 4.553 8.852 ( 4.736 0.000 0.722) 4.791 8.861 ( 2.150 0.000 -5.082) 5.518 9.107 ( 12.705 0.000 -2.543) 12.957 9.687 ( -4.618 -0.000 5.099) 6.880 9.876 ( 3.245 0.000 -2.937) 4.377 10.097 ( -0.869 -0.000 6.827) 6.882 10.586 ( -1.338 -0.000 -6.343) 6.482 10.828 ( 30.884 0.000 0.289) 30.886 10.861 ( -3.933 -0.000 -0.575) 3.975 11.837 ( 3.566 0.000 0.628) 3.621 11.844 ( -9.224 -0.000 0.925) 9.270 12.781 ( -1.394 -0.000 0.139) 1.401 12.847 ( 5.132 0.000 -1.893) 5.470 13.726 ( -0.813 -0.000 5.060) 5.125 14.097 ( 0.632 0.000 -3.528) 3.584 15.498 ( -10.062 -0.000 1.808) 10.223 15.686 ( 124.981 0.000 -2.506) 125.006 16.039 ( 10.830 0.000 0.281) 10.834 16.044 ( -5.873 -0.000 0.025) 5.873 19.221 ( 0.395 0.000 2.634) 2.664 19.483 ( -1.368 -0.000 -3.336) 3.606 20.085 ( 10.610 0.000 1.630) 10.734 20.155 ( -80.476 -0.000 -0.122) 80.476 22.408 ( -0.957 -0.000 1.081) 1.443 22.504 ( 0.923 0.000 -1.038) 1.389 ======================= Grid point 106 (33/141) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 18.823 7.433 23.371) 30.915 0.955 ( 21.815 -7.233 20.129) 30.551 1.557 ( 20.212 -17.010 35.540) 44.282 2.182 ( 3.630 3.629 -22.795) 23.366 2.228 ( 0.150 0.301 -21.794) 21.797 2.751 ( 11.002 0.491 3.223) 11.475 3.259 ( 2.483 0.692 -7.111) 7.563 3.453 ( 2.521 -2.372 -11.946) 12.437 3.723 ( -0.947 5.947 4.698) 7.638 3.809 ( 1.789 -2.571 2.571) 4.052 3.978 ( 4.332 -2.926 8.264) 9.779 4.196 ( 5.156 -2.823 8.959) 10.715 4.369 ( -3.285 -4.272 -8.667) 10.206 4.543 ( 2.773 -2.603 1.165) 3.978 4.649 ( 5.483 -4.334 9.626) 11.895 4.721 ( -1.140 -1.795 -0.514) 2.188 4.952 ( -0.934 -0.887 -0.077) 1.291 5.097 ( -2.475 0.804 -5.484) 6.070 5.368 ( -3.349 2.709 -1.569) 4.585 5.504 ( -1.373 0.719 -7.397) 7.558 5.721 ( 0.831 -0.109 3.779) 3.871 5.798 ( 2.046 1.567 -1.532) 2.998 6.007 ( -6.397 5.678 -5.522) 10.180 6.166 ( -4.090 1.407 -2.030) 4.778 6.259 ( -3.309 4.564 0.111) 5.639 6.348 ( 2.119 -1.156 0.552) 2.476 6.550 ( -9.491 3.570 4.084) 10.931 6.575 ( 3.885 -1.815 2.884) 5.168 6.705 ( 1.353 7.375 -7.973) 10.944 6.890 ( 1.107 -6.162 3.561) 7.203 7.173 ( -3.661 3.263 6.416) 8.076 7.228 ( 3.051 3.591 1.851) 5.063 7.496 ( -7.135 -5.502 -3.423) 9.638 7.703 ( -6.806 3.174 0.703) 7.543 7.828 ( -3.237 -1.325 -2.473) 4.284 7.917 ( -4.380 -0.383 -1.601) 4.679 7.937 ( -4.610 -3.008 3.930) 6.764 8.112 ( 5.284 -1.715 -1.103) 5.663 8.248 ( 11.382 0.300 -1.035) 11.433 8.296 ( 4.713 -3.058 2.945) 6.343 8.748 ( -3.775 3.787 0.493) 5.370 8.880 ( 2.993 -1.010 -4.034) 5.123 8.983 ( 9.277 -0.775 -0.512) 9.323 9.201 ( 4.743 2.931 -2.161) 5.979 9.648 ( -3.439 -1.808 1.874) 4.314 9.922 ( 3.212 0.020 -1.478) 3.536 10.110 ( -1.417 0.848 7.264) 7.449 10.515 ( -2.599 1.222 -7.296) 7.841 10.827 ( -0.204 -1.828 -3.627) 4.067 11.177 ( 15.074 -1.421 -7.190) 16.761 11.677 ( -10.917 -0.095 4.912) 11.972 11.923 ( 6.214 0.045 3.058) 6.926 12.734 ( -4.342 0.073 -1.042) 4.466 12.871 ( 3.220 6.242 0.456) 7.039 13.700 ( -3.071 0.598 4.235) 5.265 14.032 ( -5.815 1.314 -4.360) 7.386 15.190 ( -21.305 2.223 -6.623) 22.421 15.940 ( 1.683 1.492 -4.708) 5.217 16.072 ( 4.944 0.045 -3.404) 6.002 17.243 ( 85.942 44.308 -37.147) 103.582 18.474 ( -49.183 45.242 50.897) 84.002 19.262 ( 2.135 -1.214 2.857) 3.768 19.851 ( -24.369 -39.761 -7.232) 47.192 20.351 ( 7.323 -19.277 1.525) 20.677 22.408 ( -0.763 -1.622 0.392) 1.834 22.521 ( 1.111 -0.767 -0.633) 1.491 ======================= Grid point 107 (34/141) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 19.888 5.340 15.330) 25.672 1.472 ( 20.299 -9.208 16.323) 27.628 1.951 ( -0.295 10.201 -26.584) 28.476 2.220 ( 20.630 -11.166 9.538) 25.322 2.333 ( 13.532 -11.082 0.438) 17.496 2.959 ( 14.761 2.024 -1.787) 15.006 3.288 ( 1.494 -0.361 0.686) 1.683 3.422 ( -1.618 -3.076 -12.475) 12.950 3.682 ( 3.008 1.422 1.631) 3.706 3.918 ( 4.816 0.784 4.086) 6.364 4.128 ( 6.171 -1.950 6.299) 9.032 4.301 ( -4.232 -5.505 -8.437) 10.927 4.373 ( 7.737 -2.038 7.908) 11.249 4.588 ( -4.640 -6.617 -1.195) 8.169 4.758 ( -0.359 -4.155 3.449) 5.412 4.812 ( 8.574 0.043 7.273) 11.243 4.982 ( -1.580 0.497 -3.850) 4.191 5.020 ( 2.475 -3.009 -2.149) 4.450 5.278 ( -3.092 4.563 2.364) 5.998 5.445 ( -0.413 0.342 -6.967) 6.987 5.710 ( -1.709 4.692 0.486) 5.017 5.774 ( -4.419 7.120 -3.855) 9.224 5.853 ( -1.213 -0.974 -3.892) 4.192 6.018 ( -6.280 5.760 0.978) 8.578 6.182 ( -4.486 3.099 0.567) 5.482 6.367 ( -6.659 -0.023 -0.441) 6.674 6.426 ( 3.755 -0.148 3.687) 5.265 6.561 ( 0.440 10.737 -5.948) 12.282 6.701 ( 4.408 1.389 -2.112) 5.082 6.940 ( -3.620 -1.389 3.625) 5.308 7.114 ( -1.434 0.367 2.385) 2.807 7.218 ( -0.637 0.694 0.031) 0.943 7.393 ( -10.021 -3.090 -1.162) 10.551 7.584 ( -6.668 -0.173 0.833) 6.722 7.797 ( 0.161 0.379 -2.611) 2.643 7.894 ( -1.049 -5.648 1.643) 5.975 7.932 ( -2.302 -0.520 2.147) 3.190 8.188 ( -0.307 -3.170 3.105) 4.448 8.291 ( 1.471 1.261 0.851) 2.117 8.480 ( 4.469 -2.217 1.164) 5.123 8.650 ( 1.532 8.407 -4.916) 9.859 8.943 ( 3.779 -3.797 -1.287) 5.510 9.131 ( 9.928 1.388 -1.619) 10.155 9.262 ( 8.874 2.868 -0.587) 9.345 9.625 ( -3.515 -4.271 0.059) 5.532 9.957 ( 1.436 1.025 0.090) 1.766 10.124 ( 1.117 1.651 8.403) 8.636 10.414 ( -3.052 2.928 -6.991) 8.171 10.847 ( 2.022 -3.080 -5.496) 6.617 11.331 ( 7.128 -1.826 -4.584) 8.669 11.559 ( -8.243 -1.357 5.154) 9.816 12.061 ( 8.965 0.533 4.348) 9.978 12.624 ( -7.857 0.449 -3.173) 8.485 12.847 ( 0.557 6.343 3.591) 7.310 13.676 ( -1.029 0.437 1.398) 1.790 13.855 ( -10.283 1.595 -6.009) 12.016 14.822 ( -15.457 2.646 -9.048) 18.105 15.928 ( -2.169 -4.463 -7.752) 9.204 16.148 ( 10.515 5.852 -3.247) 12.464 17.458 ( 15.183 56.871 21.023) 62.504 18.030 ( 0.220 -1.204 1.858) 2.225 19.321 ( 2.485 0.550 1.282) 2.849 19.770 ( -17.385 -18.957 -2.603) 25.853 20.626 ( 4.978 -15.187 -0.105) 15.982 22.418 ( -0.188 -1.816 0.031) 1.826 22.546 ( 0.966 -1.369 -0.230) 1.691 ======================= Grid point 108 (35/141) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 17.148 3.674 4.542) 18.116 1.727 ( 4.654 6.165 -12.798) 14.949 1.974 ( 15.071 -7.817 13.981) 21.993 2.429 ( 8.834 -5.869 -7.447) 12.959 2.837 ( 13.632 -11.687 5.955) 18.918 3.147 ( 11.351 -0.700 -2.546) 11.654 3.213 ( -1.223 3.417 -5.327) 6.446 3.496 ( 7.258 -2.510 1.943) 7.922 3.763 ( 4.243 -2.450 -0.194) 4.903 3.953 ( -0.811 -0.095 -0.979) 1.275 4.228 ( 0.886 -1.554 -3.713) 4.121 4.301 ( 1.963 -4.830 1.302) 5.374 4.497 ( -3.493 -4.826 2.518) 6.467 4.629 ( 9.993 1.785 4.169) 10.974 4.729 ( -7.733 -1.110 5.334) 9.459 4.864 ( -1.707 1.116 -1.971) 2.836 5.038 ( 9.613 -2.397 2.757) 10.284 5.173 ( 6.399 -3.750 -1.181) 7.510 5.226 ( -0.267 -0.005 2.460) 2.475 5.439 ( 0.677 -1.004 -4.602) 4.759 5.516 ( -5.974 9.907 -4.148) 12.290 5.616 ( -4.366 7.111 0.343) 8.351 5.820 ( -2.378 4.463 -1.905) 5.404 5.980 ( 1.817 -4.041 2.968) 5.333 6.051 ( -4.332 8.080 1.653) 9.316 6.290 ( -4.189 1.551 -0.194) 4.471 6.429 ( 1.143 7.229 -9.525) 12.012 6.526 ( 4.619 -1.977 2.192) 5.482 6.703 ( -2.915 -0.401 -3.074) 4.255 6.851 ( -6.446 2.258 3.401) 7.629 7.127 ( -0.383 1.241 5.520) 5.671 7.225 ( -2.763 -5.080 -0.305) 5.790 7.274 ( -5.526 -3.945 -3.485) 7.632 7.497 ( -4.490 0.496 0.194) 4.522 7.783 ( 1.705 3.379 -2.910) 4.774 7.896 ( -0.659 4.324 2.603) 5.089 7.964 ( -0.693 -7.237 2.003) 7.541 8.191 ( -4.321 -2.678 4.443) 6.752 8.294 ( -1.119 -0.901 -0.617) 1.563 8.465 ( -3.005 0.627 -1.959) 3.642 8.601 ( 3.029 7.716 -4.117) 9.256 9.027 ( 0.494 -2.134 3.090) 3.788 9.274 ( 11.873 1.282 -3.327) 12.397 9.406 ( 11.603 3.376 -1.489) 12.176 9.652 ( 0.557 -8.514 0.170) 8.534 9.936 ( -2.574 1.416 1.701) 3.395 10.203 ( 4.353 0.998 8.573) 9.666 10.302 ( -2.640 4.310 -5.280) 7.310 10.889 ( 2.748 -2.816 -5.036) 6.391 11.413 ( 3.335 -1.562 -2.757) 4.600 11.480 ( -6.794 -2.318 3.966) 8.201 12.221 ( 9.170 0.812 1.921) 9.404 12.451 ( -9.876 1.085 -5.432) 11.324 12.806 ( -1.197 5.232 5.749) 7.865 13.654 ( -3.164 1.001 -2.150) 3.954 13.688 ( -3.310 -0.578 -3.001) 4.505 14.576 ( -8.402 1.634 -6.057) 10.486 15.864 ( -4.813 -4.202 -14.141) 15.517 16.264 ( 12.259 6.684 0.180) 13.964 17.210 ( -7.376 26.080 32.503) 42.320 18.139 ( 15.385 5.430 -13.591) 21.234 19.304 ( -2.167 4.450 -0.843) 5.021 19.693 ( -11.933 -14.681 2.243) 19.051 20.808 ( 3.887 -8.000 0.063) 8.894 22.437 ( 0.465 -1.648 -0.204) 1.724 22.572 ( 0.429 -1.442 0.121) 1.509 ======================= Grid point 109 (36/141) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 6.770 2.743 -6.319) 9.659 1.863 ( 11.566 0.817 5.993) 13.052 2.309 ( 6.872 -6.588 11.646) 15.041 2.570 ( 5.137 -4.779 -5.220) 8.745 2.916 ( -3.201 -3.019 -3.839) 5.839 3.190 ( 5.485 3.857 -7.006) 9.698 3.373 ( 6.598 -4.512 0.972) 8.052 3.624 ( 5.096 0.049 2.517) 5.684 3.851 ( 2.203 -4.835 -0.696) 5.358 3.916 ( -1.422 -1.907 -5.007) 5.543 4.150 ( -7.134 2.514 -5.519) 9.364 4.392 ( 1.123 -3.442 3.517) 5.048 4.487 ( -1.514 0.427 5.166) 5.400 4.678 ( 2.038 -1.246 0.098) 2.391 4.794 ( 2.535 -2.446 2.020) 4.061 4.882 ( 7.371 1.604 0.520) 7.561 5.140 ( 2.400 3.026 -3.403) 5.147 5.199 ( -2.009 1.030 -0.160) 2.264 5.273 ( -4.259 2.333 4.310) 6.493 5.336 ( 1.212 -5.868 1.504) 6.178 5.471 ( 1.215 10.278 3.965) 11.083 5.597 ( 6.413 -2.067 0.449) 6.753 5.735 ( -0.513 2.993 -3.043) 4.299 5.923 ( -0.804 10.663 0.483) 10.705 6.070 ( -0.647 -1.926 2.004) 2.853 6.213 ( 0.979 1.116 2.129) 2.596 6.370 ( -1.402 -0.534 -9.567) 9.684 6.573 ( -7.125 -2.743 -0.627) 7.661 6.638 ( 3.495 -3.156 -5.506) 7.246 6.786 ( -2.443 1.990 5.679) 6.495 7.112 ( -7.130 -3.587 9.543) 12.440 7.179 ( -4.418 -2.219 -2.933) 5.748 7.278 ( 0.481 -4.337 -6.186) 7.570 7.433 ( -2.052 3.017 1.632) 3.997 7.765 ( 4.317 6.580 -1.597) 8.030 7.875 ( 3.377 5.687 1.382) 6.757 7.991 ( -4.416 -4.036 0.675) 6.020 8.180 ( -2.841 -3.180 5.249) 6.763 8.277 ( -0.836 -2.663 -4.095) 4.956 8.425 ( -0.305 0.340 -2.105) 2.154 8.536 ( 0.711 7.187 -3.198) 7.898 9.019 ( -4.602 -0.671 5.040) 6.858 9.434 ( 9.734 0.780 -4.245) 10.648 9.505 ( 5.657 0.264 -2.432) 6.163 9.814 ( 5.962 -8.514 2.626) 10.721 9.879 ( -4.156 0.984 2.363) 4.881 10.200 ( -1.278 5.033 -3.160) 6.079 10.297 ( 2.084 -0.090 8.166) 8.428 10.945 ( 4.643 -0.275 -1.730) 4.962 11.405 ( -5.933 -3.047 0.263) 6.675 11.460 ( 1.381 0.216 -0.446) 1.467 12.246 ( -7.143 -1.570 -13.928) 15.732 12.347 ( 4.275 2.231 3.574) 6.002 12.767 ( -1.884 3.838 6.884) 8.104 13.607 ( -0.000 0.020 -0.152) 0.153 13.683 ( 1.007 -0.951 0.185) 1.398 14.461 ( -2.510 0.119 -1.912) 3.157 15.723 ( -6.485 -2.912 -21.308) 22.462 16.385 ( 9.658 7.730 3.933) 12.981 17.040 ( -10.307 8.516 24.767) 28.145 18.265 ( 15.139 5.319 -12.098) 20.096 19.187 ( -6.173 2.619 -0.187) 6.709 19.685 ( -7.064 -9.899 3.387) 12.624 20.915 ( 3.441 -2.329 0.204) 4.161 22.461 ( 0.868 -1.096 -0.333) 1.437 22.586 ( -0.250 -0.813 0.336) 0.914 ======================= Grid point 110 (37/141) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 7.442 -4.050 2.294) 8.778 1.952 ( -2.482 3.623 3.777) 5.793 2.340 ( -9.875 0.216 3.627) 10.522 2.669 ( 3.087 -4.431 -1.468) 5.596 2.949 ( 4.843 -1.314 -0.067) 5.018 3.161 ( -0.404 2.504 -4.494) 5.160 3.425 ( -2.476 -1.439 -3.197) 4.293 3.666 ( -2.225 -0.216 -0.974) 2.438 3.827 ( -1.649 -2.159 -6.849) 7.368 3.966 ( -5.545 4.524 -4.517) 8.463 3.998 ( 4.348 -5.828 -1.769) 7.483 4.409 ( -4.153 -3.036 3.091) 6.002 4.517 ( 3.660 4.582 6.734) 8.929 4.680 ( -0.377 6.203 -1.586) 6.413 4.870 ( -0.680 -7.143 -2.066) 7.467 4.956 ( 7.491 6.386 -1.957) 10.036 5.125 ( -10.566 4.476 4.554) 12.346 5.136 ( -0.381 3.423 -1.129) 3.625 5.199 ( 3.466 -5.508 3.342) 7.316 5.421 ( 0.582 -6.352 2.907) 7.010 5.523 ( 3.600 3.020 10.689) 11.676 5.665 ( 1.302 -0.297 4.059) 4.273 5.741 ( 7.018 7.213 -7.166) 12.355 5.836 ( 0.664 3.385 -2.242) 4.114 6.013 ( -3.357 1.151 -0.157) 3.552 6.220 ( -3.530 -0.078 -3.077) 4.684 6.392 ( 6.107 -3.241 1.427) 7.059 6.531 ( -1.570 -6.706 -5.033) 8.530 6.705 ( 4.131 0.357 -5.422) 6.826 6.774 ( -0.951 -1.587 5.782) 6.071 7.084 ( -7.186 -5.760 8.270) 12.377 7.109 ( -7.143 -5.410 -1.556) 9.094 7.295 ( 3.147 0.095 -7.112) 7.778 7.383 ( -1.843 2.759 2.307) 4.042 7.785 ( 6.230 6.751 -0.110) 9.187 7.904 ( 4.862 3.861 -0.661) 6.244 7.932 ( -3.782 -0.088 1.405) 4.035 8.203 ( -1.094 -2.187 3.975) 4.667 8.295 ( 2.000 -2.692 -4.457) 5.577 8.395 ( -3.652 1.808 2.731) 4.906 8.487 ( 6.031 5.485 -8.163) 11.536 8.973 ( -5.931 -2.506 5.798) 8.664 9.476 ( 0.642 -1.065 -7.825) 7.923 9.598 ( 3.779 -0.866 0.150) 3.880 9.800 ( -6.176 0.828 4.245) 7.540 9.957 ( 1.452 -3.544 1.828) 4.243 10.148 ( 0.932 2.288 -0.958) 2.650 10.353 ( -0.150 -1.297 8.551) 8.650 11.027 ( 6.937 3.294 2.631) 8.117 11.336 ( -5.308 -2.278 -2.589) 6.330 11.465 ( 1.211 1.744 -1.834) 2.806 12.099 ( -5.317 -1.938 -11.404) 12.730 12.393 ( 2.433 -0.879 -2.877) 3.869 12.738 ( -1.901 2.632 7.225) 7.921 13.619 ( 2.033 1.162 0.519) 2.398 13.748 ( 2.788 -2.411 4.235) 5.614 14.482 ( 4.063 -1.613 2.932) 5.264 15.517 ( -7.856 -3.365 -28.480) 29.734 16.434 ( 3.948 9.745 6.085) 12.148 16.940 ( -11.667 -1.790 17.770) 21.333 18.408 ( 14.001 2.504 -9.169) 16.922 19.101 ( -3.505 -2.267 0.702) 4.233 19.671 ( -6.235 -5.251 3.040) 8.700 20.970 ( 3.454 2.437 0.607) 4.271 22.480 ( 0.857 -0.218 -0.272) 0.925 22.583 ( -0.698 0.228 0.340) 0.809 ======================= Grid point 111 (38/141) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -14.759 3.508 -1.782) 15.275 1.870 ( -7.578 3.692 1.799) 8.619 2.182 ( -3.053 1.206 7.680) 8.352 2.685 ( -2.624 -4.036 -6.546) 8.126 3.029 ( -0.552 2.420 4.704) 5.318 3.098 ( -4.465 2.931 2.607) 5.943 3.306 ( -9.225 -0.075 -6.825) 11.476 3.542 ( -8.493 -3.024 -4.375) 10.021 3.821 ( -2.996 -1.964 -6.347) 7.288 3.913 ( 5.902 1.775 1.765) 6.411 4.088 ( 1.614 -5.039 -6.312) 8.236 4.372 ( -2.998 2.394 4.079) 5.600 4.543 ( 1.147 4.220 4.334) 6.157 4.585 ( -1.492 5.734 -1.240) 6.054 4.802 ( -7.102 4.893 -0.168) 8.626 4.919 ( 1.955 11.026 1.008) 11.243 5.061 ( -1.318 -4.511 -1.757) 5.017 5.081 ( -2.746 1.497 3.427) 4.640 5.376 ( 1.940 -15.189 1.540) 15.389 5.492 ( -2.246 3.656 3.567) 5.580 5.516 ( 0.681 0.595 -0.362) 0.974 5.649 ( -3.187 -2.587 2.415) 4.763 5.844 ( 6.335 -0.589 -2.296) 6.764 5.851 ( 7.069 1.587 4.605) 8.585 5.997 ( 3.587 0.710 2.244) 4.291 6.213 ( 3.236 -2.209 -3.603) 5.323 6.447 ( -0.054 -0.952 -4.437) 4.538 6.604 ( 1.741 -5.459 -1.955) 6.054 6.690 ( 0.054 3.552 -0.257) 3.561 6.866 ( 5.438 -4.511 -1.643) 7.254 7.073 ( -7.723 -8.948 8.366) 14.480 7.077 ( -2.816 -4.760 2.974) 6.280 7.310 ( 3.837 2.729 -4.738) 6.680 7.350 ( -0.799 -1.509 -2.995) 3.448 7.787 ( -1.612 1.194 1.313) 2.398 7.889 ( 3.822 5.976 -0.138) 7.095 7.981 ( 7.626 4.190 -1.049) 8.764 8.211 ( -2.762 -0.152 6.017) 6.623 8.297 ( -2.262 3.571 0.579) 4.267 8.351 ( 1.830 0.169 -1.144) 2.165 8.544 ( 10.594 1.654 -10.632) 15.100 8.940 ( -6.385 -5.196 5.597) 9.954 9.417 ( -6.214 -2.496 -6.730) 9.494 9.569 ( -8.577 -0.265 -0.806) 8.619 9.747 ( -0.807 0.697 3.346) 3.512 9.973 ( -0.414 1.630 3.313) 3.715 10.138 ( -1.840 -0.010 0.342) 1.872 10.427 ( 2.242 -2.075 8.573) 9.101 11.107 ( 5.072 4.885 4.886) 8.571 11.247 ( -4.451 0.086 -7.800) 8.981 11.459 ( 1.767 1.479 -1.697) 2.862 11.993 ( -4.052 -1.034 -9.929) 10.774 12.437 ( 2.235 -4.664 -3.678) 6.346 12.725 ( -1.140 1.764 6.535) 6.864 13.672 ( 5.095 -0.151 1.052) 5.205 13.818 ( 0.364 -1.563 4.047) 4.354 14.648 ( 10.111 -2.983 8.136) 13.316 15.274 ( -8.828 -5.555 -35.062) 36.580 16.383 ( -1.280 9.579 4.770) 10.777 16.851 ( -14.313 -5.342 14.777) 21.255 18.566 ( 9.226 -2.905 -3.873) 10.420 19.150 ( 4.708 -6.242 -0.821) 7.861 19.614 ( -7.107 -2.026 2.604) 7.835 20.988 ( 4.215 7.117 1.600) 8.425 22.488 ( 0.506 0.784 0.111) 0.940 22.565 ( -0.746 1.213 0.019) 1.424 ======================= Grid point 112 (39/141) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -22.757 6.890 -5.844) 24.485 1.521 ( -19.591 13.691 5.935) 24.626 2.269 ( 3.120 -0.024 0.327) 3.137 2.585 ( -16.704 3.878 1.457) 17.210 2.867 ( -8.752 -2.277 -5.794) 10.740 2.972 ( -6.932 5.690 10.365) 13.706 3.101 ( -13.501 -3.929 -11.613) 18.237 3.562 ( 5.115 -4.110 3.873) 7.619 3.743 ( -4.774 -1.174 -3.651) 6.124 4.002 ( 0.292 0.131 3.377) 3.392 4.066 ( -3.190 -2.466 -8.047) 9.001 4.273 ( -5.703 8.012 3.397) 10.404 4.495 ( -0.880 3.386 1.514) 3.812 4.560 ( 2.336 3.473 -0.549) 4.221 4.704 ( 2.286 5.897 2.484) 6.795 4.847 ( -1.717 6.157 1.257) 6.515 5.028 ( -1.696 -0.780 -0.622) 1.967 5.139 ( 2.648 -5.865 2.795) 7.016 5.296 ( -7.065 7.114 0.735) 10.053 5.531 ( 0.771 -6.901 -1.286) 7.061 5.615 ( -0.059 -7.194 0.641) 7.223 5.668 ( 1.372 -5.314 -2.208) 5.916 5.835 ( 0.732 -0.878 -2.069) 2.364 6.050 ( 8.688 -0.816 4.812) 9.965 6.134 ( 8.178 -0.805 5.222) 9.737 6.306 ( 7.103 -2.705 -2.405) 7.972 6.440 ( 2.194 -0.039 -2.045) 3.000 6.577 ( -4.315 -1.876 -5.941) 7.578 6.678 ( -0.752 3.004 1.807) 3.585 6.947 ( -0.926 -5.557 -2.736) 6.263 7.118 ( -4.985 -10.891 11.538) 16.631 7.154 ( 3.963 -5.604 -2.013) 7.152 7.294 ( 1.266 2.841 -0.820) 3.217 7.388 ( 6.544 -0.500 -5.738) 8.718 7.768 ( -1.589 -1.942 1.853) 3.120 7.884 ( 4.819 9.210 -1.976) 10.580 8.039 ( 5.133 4.961 -0.154) 7.140 8.166 ( -5.998 2.893 10.749) 12.645 8.245 ( 1.198 3.141 -2.744) 4.340 8.374 ( 2.928 1.921 -2.828) 4.501 8.671 ( 10.605 -1.656 -9.514) 14.343 8.918 ( -7.031 -6.449 5.065) 10.801 9.265 ( -11.531 -2.477 -5.527) 13.025 9.374 ( -14.055 0.433 -0.394) 14.067 9.767 ( 1.584 0.341 1.950) 2.535 9.966 ( 0.530 3.337 3.695) 5.006 10.102 ( -2.206 1.111 2.595) 3.583 10.526 ( 3.527 -1.107 4.873) 6.117 11.089 ( -4.624 1.634 -14.742) 15.536 11.134 ( -2.016 4.608 4.186) 6.544 11.495 ( 3.663 0.546 3.289) 4.953 11.891 ( -3.263 0.301 -8.240) 8.868 12.521 ( 2.009 -7.771 -2.312) 8.353 12.732 ( 0.348 1.089 4.888) 5.019 13.778 ( 3.961 -1.557 1.052) 4.384 13.837 ( 1.164 -1.109 0.977) 1.881 14.885 ( 5.361 -4.909 -2.913) 7.831 15.038 ( -2.708 -6.004 -26.091) 26.909 16.267 ( -4.464 7.409 1.926) 8.862 16.720 ( -17.345 -5.186 13.762) 22.740 18.719 ( 1.752 -11.357 3.079) 11.897 19.351 ( 13.728 -4.575 -2.505) 14.686 19.517 ( -8.958 -3.221 1.430) 9.626 20.988 ( 6.485 12.102 3.227) 14.104 22.482 ( 0.101 1.717 0.839) 1.914 22.538 ( -0.443 1.730 -0.701) 1.918 ======================= Grid point 113 (40/141) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -25.799 7.635 -5.000) 27.366 1.129 ( -17.040 17.219 15.776) 28.909 1.917 ( -38.248 12.640 6.926) 40.874 2.418 ( 2.875 0.924 1.217) 3.256 2.679 ( -12.401 0.126 -13.384) 18.246 2.817 ( -8.382 3.633 -12.542) 15.516 3.092 ( 1.643 -14.392 6.442) 15.853 3.636 ( -2.957 1.574 2.070) 3.938 3.725 ( 1.494 -1.558 -0.703) 2.270 3.870 ( -7.704 3.245 -1.498) 8.493 4.004 ( -4.779 1.438 -1.406) 5.185 4.195 ( -1.240 0.151 9.214) 9.298 4.458 ( -1.936 2.891 -0.609) 3.532 4.557 ( 1.729 4.548 2.703) 5.566 4.695 ( -0.787 4.682 -0.978) 4.847 4.792 ( 3.372 4.568 -0.111) 5.679 5.039 ( 3.040 -1.410 -3.624) 4.936 5.165 ( -4.304 3.654 3.870) 6.846 5.286 ( 5.922 -5.303 5.124) 9.458 5.563 ( -1.240 -2.625 -5.646) 6.349 5.630 ( -0.932 -2.142 -2.852) 3.687 5.712 ( 0.863 -1.714 -1.528) 2.453 5.929 ( 4.195 -8.364 0.283) 9.361 6.179 ( 3.300 -2.544 -1.784) 4.532 6.240 ( 4.346 -0.348 0.131) 4.361 6.434 ( 5.861 -1.292 -2.291) 6.424 6.510 ( -3.451 -3.060 -3.873) 6.022 6.537 ( 6.216 1.910 5.161) 8.302 6.615 ( -1.084 2.378 4.563) 5.258 6.952 ( -2.773 -6.232 -5.340) 8.663 7.147 ( -7.084 -4.784 -0.111) 8.549 7.206 ( -1.255 -5.280 3.967) 6.723 7.392 ( 11.530 -0.499 -3.245) 11.988 7.517 ( 9.450 -1.163 3.118) 10.019 7.769 ( 0.478 4.082 1.328) 4.319 7.859 ( 1.364 2.069 -1.097) 2.710 8.042 ( 2.890 6.766 -0.585) 7.380 8.087 ( -5.382 3.764 9.131) 11.248 8.233 ( 2.079 2.211 -3.959) 4.988 8.375 ( 0.699 1.865 -1.906) 2.756 8.789 ( 3.926 -3.915 -5.113) 7.543 8.894 ( -5.297 -4.989 3.689) 8.158 9.062 ( -12.610 -0.833 -5.362) 13.728 9.154 ( -10.491 -0.054 -3.007) 10.913 9.785 ( -1.720 -0.019 3.982) 4.338 9.961 ( 3.716 7.018 0.979) 8.002 10.089 ( 1.601 3.285 3.867) 5.321 10.591 ( 2.371 0.132 -0.907) 2.542 10.849 ( -11.171 2.129 -23.072) 25.722 11.061 ( -5.667 3.245 4.692) 8.041 11.602 ( 5.933 -0.318 11.085) 12.577 11.819 ( -0.868 0.598 -5.277) 5.382 12.614 ( -1.446 -11.290 -1.185) 11.444 12.762 ( 1.759 0.591 3.334) 3.815 13.754 ( -5.258 -1.093 -2.300) 5.842 13.952 ( 8.278 -1.600 -2.234) 8.722 14.665 ( -13.894 -6.465 -35.039) 38.244 15.241 ( 13.379 -1.402 9.936) 16.724 16.133 ( -5.872 3.163 0.286) 6.676 16.530 ( -19.261 -2.895 11.457) 22.598 18.888 ( -3.813 -22.023 8.375) 23.868 19.392 ( -5.980 3.518 4.873) 8.479 19.644 ( 12.710 -11.616 -6.306) 18.337 21.001 ( 10.861 16.699 3.714) 20.263 22.466 ( -0.120 2.655 1.359) 2.985 22.514 ( 0.130 1.501 -1.470) 2.105 ======================= Grid point 114 (41/141) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( -17.492 -3.740 14.471) 23.008 0.810 ( -14.734 15.922 24.784) 32.937 1.213 ( -36.337 15.215 26.574) 47.519 2.384 ( -10.045 1.877 -12.632) 16.247 2.501 ( 2.428 -5.494 -8.648) 10.530 2.628 ( -4.068 2.982 -12.255) 13.253 3.264 ( 2.034 -9.206 -3.827) 10.175 3.588 ( -3.430 -1.355 2.297) 4.345 3.623 ( -4.250 4.580 -1.435) 6.410 3.811 ( -0.700 1.392 -1.314) 2.038 3.934 ( -3.844 0.676 3.206) 5.050 4.260 ( 0.276 -0.883 14.142) 14.172 4.388 ( -4.295 -3.388 -2.196) 5.895 4.541 ( -2.140 3.440 5.064) 6.485 4.610 ( -4.852 2.898 -5.588) 7.948 4.759 ( 1.784 10.316 -12.578) 16.365 5.082 ( -3.095 1.529 0.362) 3.471 5.112 ( 3.798 0.565 -2.390) 4.523 5.440 ( 2.917 -1.784 0.766) 3.504 5.539 ( 4.193 -0.441 2.537) 4.921 5.611 ( -1.078 0.040 -4.368) 4.500 5.741 ( 2.273 -0.945 -2.375) 3.421 6.079 ( 4.272 -7.496 -0.522) 8.644 6.210 ( -0.558 -4.845 -2.431) 5.449 6.298 ( 2.395 1.892 1.231) 3.291 6.405 ( -2.410 4.173 -4.848) 6.836 6.461 ( -1.645 -0.855 -4.954) 5.289 6.623 ( 2.650 -4.604 7.982) 9.588 6.718 ( 4.716 3.013 6.813) 8.816 6.903 ( -4.693 -2.011 -8.753) 10.133 7.111 ( -4.103 -6.516 1.014) 7.767 7.219 ( -1.377 1.394 5.638) 5.969 7.585 ( 10.192 -1.065 -4.133) 11.049 7.666 ( 4.564 0.127 1.652) 4.856 7.798 ( 9.413 -0.508 10.282) 13.949 7.878 ( 1.189 -1.168 -1.729) 2.402 8.000 ( 0.629 4.548 -0.003) 4.591 8.032 ( 0.153 5.681 2.767) 6.321 8.223 ( 1.132 0.753 -2.504) 2.849 8.312 ( -6.831 2.193 0.687) 7.207 8.816 ( -4.202 -5.748 3.096) 7.764 8.867 ( -2.558 -0.329 -4.728) 5.385 8.893 ( -3.803 0.615 -1.135) 4.016 9.021 ( -3.854 0.477 -5.933) 7.090 9.742 ( -6.141 -0.133 6.229) 8.749 9.929 ( 4.155 12.588 -6.883) 14.937 10.102 ( 2.251 6.433 1.966) 7.093 10.518 ( -4.313 0.715 -2.343) 4.960 10.628 ( -1.331 -0.535 -4.487) 4.711 10.951 ( -6.559 1.758 2.464) 7.224 11.795 ( 6.035 -0.795 6.195) 8.685 11.807 ( 4.566 0.232 4.532) 6.437 12.699 ( -3.194 -16.228 2.382) 16.710 12.796 ( 0.759 0.052 1.987) 2.128 13.665 ( -0.837 0.291 -1.582) 1.813 14.064 ( 5.823 -0.059 -4.107) 7.126 14.447 ( 4.287 -0.636 5.799) 7.239 15.472 ( 8.507 0.745 7.431) 11.320 16.040 ( -5.228 -2.810 -0.166) 5.938 16.276 ( -18.312 1.460 6.065) 19.346 19.121 ( -2.893 -26.730 7.021) 27.788 19.318 ( -9.046 -11.431 6.863) 16.112 19.904 ( 11.532 -5.726 -4.534) 13.650 20.987 ( 4.851 20.712 -10.836) 23.873 22.437 ( -0.519 3.271 0.626) 3.370 22.502 ( 0.665 0.813 -1.422) 1.768 ======================= Grid point 116 (42/141) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 20.432 0.000 18.757) 27.736 1.366 ( 20.649 0.000 17.891) 27.322 2.041 ( 27.540 0.000 18.621) 33.244 2.092 ( 4.633 0.000 -23.945) 24.389 2.243 ( 8.280 0.000 -10.707) 13.535 2.978 ( 14.398 0.000 -4.866) 15.198 3.276 ( 3.821 0.000 -0.209) 3.827 3.396 ( -1.282 -0.000 -12.599) 12.664 3.696 ( 0.989 0.000 -1.545) 1.834 3.975 ( 6.671 0.000 5.911) 8.913 4.051 ( 2.163 0.000 8.602) 8.870 4.241 ( -4.400 -0.000 -10.300) 11.200 4.335 ( 7.392 0.000 10.166) 12.570 4.519 ( 0.949 0.000 0.346) 1.010 4.715 ( -0.032 -0.000 1.621) 1.621 4.813 ( 8.417 0.000 9.510) 12.700 4.974 ( 3.758 0.000 2.522) 4.525 5.011 ( -4.386 -0.000 -7.659) 8.826 5.329 ( -3.491 -0.000 2.057) 4.052 5.451 ( -0.087 -0.000 -10.222) 10.222 5.744 ( 0.662 0.000 1.799) 1.917 5.823 ( 0.861 0.000 -0.799) 1.175 5.885 ( -8.237 -0.000 -7.991) 11.476 6.048 ( -9.640 -0.000 1.479) 9.753 6.245 ( -1.917 -0.000 3.235) 3.760 6.358 ( -7.143 -0.000 0.516) 7.161 6.423 ( -1.731 -0.000 3.738) 4.119 6.642 ( 0.721 0.000 3.063) 3.146 6.773 ( 6.399 0.000 -12.407) 13.960 6.903 ( 2.434 0.000 4.608) 5.212 7.100 ( -5.598 -0.000 0.273) 5.605 7.289 ( -12.256 -0.000 0.338) 12.261 7.320 ( 0.149 0.000 -0.271) 0.310 7.596 ( -5.863 -0.000 -1.534) 6.060 7.774 ( -6.787 -0.000 6.060) 9.098 7.793 ( -1.021 -0.000 -2.061) 2.300 7.965 ( 3.737 0.000 -1.522) 4.035 8.154 ( -0.145 -0.000 2.921) 2.924 8.313 ( 1.823 0.000 2.788) 3.331 8.445 ( 3.812 0.000 0.417) 3.835 8.769 ( 6.852 0.000 -2.794) 7.400 8.876 ( 0.593 0.000 -4.416) 4.455 9.149 ( 11.371 0.000 -2.194) 11.581 9.288 ( 6.897 0.000 0.073) 6.897 9.581 ( -4.212 -0.000 -0.327) 4.225 9.967 ( 1.536 0.000 -0.101) 1.540 10.143 ( 0.575 0.000 8.924) 8.942 10.444 ( -2.903 -0.000 -6.615) 7.224 10.816 ( 2.452 0.000 -5.106) 5.665 11.313 ( 7.585 0.000 -4.581) 8.861 11.545 ( -8.667 -0.000 5.009) 10.011 12.067 ( 9.198 0.000 4.525) 10.250 12.628 ( -7.877 -0.000 -2.307) 8.208 12.912 ( -0.923 -0.000 1.009) 1.367 13.681 ( -1.275 -0.000 2.048) 2.412 13.872 ( -11.202 -0.000 -6.140) 12.775 14.850 ( -16.507 -0.000 -9.271) 18.933 15.880 ( -2.161 -0.000 -7.892) 8.182 16.196 ( 9.681 0.000 -4.788) 10.800 18.009 ( -14.678 -0.000 17.473) 22.820 18.384 ( 10.038 0.000 -17.609) 20.269 19.306 ( -7.827 -0.000 -1.378) 7.948 19.324 ( 2.626 0.000 5.996) 6.545 20.457 ( 7.800 0.000 10.726) 13.262 22.397 ( 0.007 0.000 0.368) 0.368 22.532 ( 0.999 0.000 -0.401) 1.077 ======================= Grid point 117 (43/141) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 19.836 8.430 10.931) 24.167 1.781 ( 18.130 -3.290 9.955) 20.943 2.007 ( 9.113 8.415 -14.890) 19.380 2.355 ( 10.502 -1.611 -8.655) 13.704 2.614 ( 21.137 -8.613 7.850) 24.137 3.105 ( 6.255 -2.627 -7.173) 9.874 3.309 ( 1.616 4.224 -8.189) 9.355 3.428 ( 7.790 -3.090 5.528) 10.040 3.741 ( 3.896 -0.215 0.627) 3.952 3.977 ( -2.911 3.004 -0.354) 4.198 4.141 ( -3.930 -4.398 -9.553) 11.227 4.157 ( -0.323 -7.950 4.199) 8.996 4.481 ( 3.962 2.176 7.163) 8.470 4.607 ( 6.110 -3.002 0.643) 6.838 4.730 ( -0.359 0.626 11.892) 11.914 4.888 ( -2.654 0.887 -4.781) 5.540 5.006 ( 7.939 -0.545 6.671) 10.384 5.092 ( 7.765 -2.278 -0.261) 8.097 5.279 ( -2.842 2.021 3.433) 4.894 5.416 ( 2.061 -0.244 -10.361) 10.567 5.683 ( -8.262 5.217 -7.117) 12.089 5.731 ( -2.768 4.125 0.134) 4.970 5.843 ( 1.365 -1.219 0.247) 1.847 5.896 ( -8.694 -2.599 3.032) 9.568 6.216 ( -2.788 5.662 3.290) 7.117 6.256 ( -2.933 -1.377 1.682) 3.651 6.471 ( 2.291 -3.041 1.445) 4.072 6.605 ( -3.503 3.327 0.048) 4.831 6.759 ( 0.503 8.110 -11.192) 13.831 6.868 ( -6.386 -0.815 1.487) 6.607 7.113 ( -10.671 -3.099 4.324) 11.924 7.138 ( 7.069 -1.863 -1.822) 7.534 7.245 ( -7.319 0.173 -3.142) 7.966 7.530 ( -0.710 1.802 -1.261) 2.311 7.741 ( -5.438 -7.503 5.111) 10.582 7.808 ( 2.868 0.039 -1.376) 3.181 8.021 ( 5.183 2.285 -0.720) 5.710 8.144 ( -3.742 -1.552 3.595) 5.417 8.312 ( -2.849 2.745 3.071) 5.008 8.422 ( -5.786 -3.672 1.841) 7.095 8.792 ( 3.808 9.613 -5.500) 11.712 8.962 ( 6.215 -4.799 -1.921) 8.084 9.302 ( 10.707 1.401 -3.703) 11.415 9.448 ( 12.207 -0.137 0.887) 12.240 9.515 ( -4.975 -3.598 -1.763) 6.388 9.954 ( -3.056 0.411 1.413) 3.392 10.221 ( 3.671 0.625 8.654) 9.422 10.362 ( -2.666 1.642 -5.151) 6.028 10.854 ( 4.617 -0.814 -3.602) 5.912 11.389 ( 3.308 -0.706 -2.853) 4.425 11.451 ( -5.543 -0.697 3.881) 6.802 12.231 ( 8.452 0.240 0.031) 8.455 12.467 ( -9.992 0.490 -1.632) 10.137 12.878 ( -2.934 1.957 3.622) 5.055 13.669 ( -6.884 0.463 -4.323) 8.142 13.682 ( -0.934 -0.140 -1.499) 1.772 14.597 ( -10.180 0.502 -6.667) 12.179 15.804 ( -3.184 -1.653 -11.465) 12.013 16.322 ( 10.113 0.803 -5.895) 11.733 17.623 ( -33.735 9.979 44.541) 56.758 18.451 ( 27.302 24.786 -34.315) 50.371 19.278 ( -13.042 -16.445 -1.924) 21.077 19.417 ( 4.542 -3.265 3.922) 6.832 20.653 ( 6.572 -5.594 8.661) 12.227 22.408 ( 0.611 -0.951 0.007) 1.130 22.547 ( 0.561 -0.807 -0.133) 0.992 ======================= Grid point 118 (44/141) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 13.701 14.464 -10.186) 22.376 2.003 ( 17.327 11.582 6.445) 21.815 2.216 ( 13.614 -2.330 11.017) 17.668 2.500 ( 9.637 -2.478 -9.233) 13.575 2.857 ( 2.073 -3.460 -2.272) 4.629 3.233 ( 6.236 -4.021 -3.187) 8.075 3.305 ( 6.164 1.532 -5.478) 8.388 3.576 ( 2.468 -4.593 4.509) 6.893 3.800 ( 2.188 0.776 2.305) 3.272 3.883 ( -5.121 -1.096 -4.340) 6.802 4.106 ( -3.157 -6.812 -6.346) 9.831 4.243 ( -1.718 -9.014 3.759) 9.916 4.505 ( 1.026 1.341 0.198) 1.700 4.614 ( -6.421 -1.996 5.764) 8.857 4.836 ( 1.869 2.721 -1.872) 3.795 4.905 ( 11.145 1.536 9.148) 14.501 5.161 ( 5.685 -1.278 3.182) 6.639 5.218 ( 3.693 -3.209 -1.731) 5.190 5.223 ( -2.512 3.217 0.298) 4.092 5.369 ( -6.357 1.088 -0.111) 6.450 5.530 ( -4.758 1.820 0.053) 5.095 5.635 ( 4.287 3.178 -3.054) 6.148 5.818 ( -2.001 2.726 1.695) 3.783 5.954 ( 4.247 -4.620 2.084) 6.613 6.125 ( -2.227 4.862 1.514) 5.557 6.245 ( -0.634 1.322 1.174) 1.878 6.481 ( -3.090 9.385 -1.946) 10.070 6.533 ( -9.736 -1.163 -1.374) 9.900 6.576 ( 2.523 -1.248 -6.860) 7.415 6.810 ( -2.793 0.961 0.045) 2.954 7.025 ( -7.873 -4.188 6.446) 11.004 7.102 ( -9.219 -3.772 -4.663) 10.998 7.266 ( 7.777 0.598 -4.385) 8.947 7.504 ( 0.236 3.284 0.167) 3.296 7.777 ( -3.314 -9.375 2.819) 10.336 7.856 ( 4.940 2.496 -0.148) 5.537 8.064 ( 4.132 5.815 0.423) 7.146 8.114 ( -4.301 -3.015 3.807) 6.487 8.235 ( -3.658 -0.637 -0.299) 3.725 8.394 ( -3.823 -3.630 2.488) 5.830 8.721 ( 3.522 10.507 -5.854) 12.533 9.017 ( -2.005 0.456 1.829) 2.752 9.446 ( 10.146 0.299 -2.945) 10.569 9.473 ( -2.610 -4.627 -5.300) 7.504 9.666 ( 9.758 -4.508 1.743) 10.890 9.891 ( -5.505 0.241 3.109) 6.327 10.282 ( -1.872 3.017 -3.015) 4.658 10.301 ( 1.546 0.416 7.509) 7.678 10.951 ( 8.443 0.668 0.537) 8.486 11.355 ( -4.889 -1.907 -1.535) 5.468 11.470 ( 3.281 0.681 1.622) 3.723 12.207 ( -7.079 -1.862 -16.163) 17.743 12.394 ( 0.617 2.074 6.592) 6.938 12.827 ( -3.460 2.171 5.371) 6.748 13.595 ( -0.089 -0.811 0.741) 1.102 13.685 ( 1.142 0.583 -1.644) 2.085 14.453 ( -4.976 -0.688 -2.682) 5.694 15.681 ( -5.927 -1.255 -16.912) 17.964 16.445 ( 8.760 -0.055 -5.258) 10.217 17.255 ( -24.078 10.014 34.612) 43.337 18.473 ( 17.711 16.157 -20.261) 31.389 19.166 ( -13.044 -7.075 -1.292) 14.895 19.541 ( 3.929 -3.611 2.965) 6.105 20.837 ( 5.720 -4.780 4.876) 8.907 22.433 ( 1.031 -1.420 -0.285) 1.778 22.563 ( 0.009 -1.283 0.175) 1.295 ======================= Grid point 119 (45/141) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 13.868 14.989 -2.557) 20.579 2.137 ( 8.555 13.873 5.742) 17.281 2.370 ( -0.484 3.067 5.008) 5.893 2.612 ( 6.603 -1.578 -5.106) 8.495 2.917 ( 7.345 -1.544 -2.157) 7.809 3.241 ( 0.578 4.895 -5.985) 7.754 3.381 ( -0.330 -2.897 -1.002) 3.083 3.642 ( -2.145 -4.430 1.305) 5.092 3.778 ( -4.360 -2.584 -5.880) 7.763 3.855 ( -0.303 -5.039 -1.304) 5.214 4.053 ( -3.481 1.882 -2.420) 4.638 4.318 ( -0.714 -6.374 3.035) 7.096 4.560 ( 2.363 -9.110 -0.853) 9.451 4.586 ( -3.778 -4.474 3.535) 6.840 4.804 ( -1.507 4.082 0.376) 4.368 5.048 ( 1.081 3.359 -2.076) 4.094 5.139 ( -1.515 1.044 7.031) 7.268 5.195 ( -0.681 2.324 -3.859) 4.556 5.254 ( -4.187 4.413 5.845) 8.437 5.294 ( 0.345 -4.799 -0.210) 4.816 5.522 ( 0.997 -5.777 9.802) 11.422 5.738 ( -3.654 6.275 2.234) 7.597 5.763 ( 11.034 0.913 -5.985) 12.586 6.021 ( 2.689 4.805 2.028) 5.868 6.068 ( -2.243 5.118 0.512) 5.612 6.229 ( -6.447 0.576 -0.581) 6.498 6.324 ( 3.455 -0.767 -2.529) 4.351 6.412 ( -3.607 -2.169 -4.441) 6.119 6.677 ( 6.777 -2.540 -3.358) 7.978 6.756 ( -3.871 -0.399 0.882) 3.991 6.981 ( -9.252 -6.396 -3.531) 11.789 6.999 ( -4.287 -3.396 6.102) 8.194 7.325 ( 5.288 2.581 -7.048) 9.181 7.466 ( -1.319 3.931 1.905) 4.563 7.820 ( -2.825 -6.008 0.518) 6.659 7.908 ( 4.125 3.469 2.962) 6.150 8.037 ( 2.615 6.682 1.311) 7.294 8.132 ( -1.258 -4.990 4.279) 6.693 8.239 ( 2.089 -2.717 -4.098) 5.342 8.390 ( -1.841 -1.775 2.267) 3.417 8.652 ( 5.440 10.612 -7.940) 14.326 8.951 ( -6.860 0.308 6.089) 9.177 9.436 ( -3.022 -3.904 -8.268) 9.630 9.578 ( 4.951 -1.020 -0.670) 5.099 9.808 ( -6.557 -0.063 3.984) 7.672 9.839 ( 3.729 -6.194 1.994) 7.500 10.220 ( -0.635 3.636 -0.447) 3.718 10.338 ( -0.676 -0.261 8.103) 8.135 11.098 ( 10.289 3.686 4.080) 11.666 11.295 ( -3.115 -1.854 -4.194) 5.544 11.513 ( 2.978 2.916 0.861) 4.256 12.041 ( -6.234 -3.724 -14.622) 16.326 12.388 ( -1.963 0.253 -0.433) 2.026 12.783 ( -3.057 1.754 6.080) 7.028 13.640 ( 2.364 0.843 1.780) 3.077 13.711 ( 2.789 -1.245 2.398) 3.883 14.438 ( 1.801 -2.530 1.920) 3.651 15.473 ( -9.611 -1.120 -22.706) 24.682 16.532 ( 4.276 0.111 -3.904) 5.791 16.987 ( -17.987 6.045 25.237) 31.575 18.507 ( 10.094 7.828 -9.442) 15.884 19.036 ( -7.421 -4.399 -3.445) 9.290 19.628 ( 2.623 0.025 3.935) 4.729 20.973 ( 5.360 -1.622 2.258) 6.039 22.463 ( 1.118 -1.350 -0.342) 1.786 22.573 ( -0.401 -1.080 0.342) 1.202 ======================= Grid point 120 (46/141) ======================= q-point: (-0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 1.855 12.496 -3.409) 13.085 2.050 ( -1.608 15.558 6.687) 17.011 2.305 ( 0.712 9.503 10.631) 14.277 2.642 ( -0.398 -0.054 -9.035) 9.044 3.082 ( 10.065 1.644 1.708) 10.341 3.145 ( -4.179 3.652 -1.963) 5.887 3.300 ( -10.080 -0.761 -1.937) 10.292 3.543 ( -9.653 2.649 -4.590) 11.012 3.730 ( -4.333 -6.516 -3.962) 8.771 3.916 ( 2.728 -4.239 -0.609) 5.078 4.018 ( 2.322 0.250 -2.830) 3.670 4.368 ( 0.164 -2.226 2.119) 3.078 4.563 ( -1.972 -0.657 -0.167) 2.085 4.699 ( -5.777 -1.438 -1.225) 6.078 4.742 ( 2.292 -6.455 0.063) 6.850 4.999 ( -11.433 1.708 7.727) 13.905 5.042 ( 2.216 -5.729 -1.754) 6.389 5.100 ( -5.556 2.239 -3.549) 6.963 5.279 ( 2.271 7.127 6.223) 9.730 5.372 ( 1.082 -6.901 0.912) 7.044 5.607 ( -1.793 2.586 7.440) 8.079 5.666 ( -1.833 -0.402 3.663) 4.115 5.811 ( -0.227 0.285 -6.404) 6.414 5.967 ( 1.242 7.334 -0.110) 7.439 6.048 ( 6.916 5.695 3.005) 9.449 6.156 ( 0.120 -3.746 -1.676) 4.106 6.369 ( -3.842 -7.018 -6.896) 10.563 6.489 ( 6.813 -3.756 -0.190) 7.782 6.705 ( -3.602 -2.180 -0.558) 4.247 6.802 ( 8.751 -1.575 -4.772) 10.091 6.913 ( -7.924 -7.203 5.382) 11.985 7.011 ( -0.134 -2.103 2.249) 3.082 7.335 ( 3.997 1.340 -8.849) 9.802 7.405 ( -1.890 4.742 2.532) 5.698 7.797 ( -3.157 -0.133 0.667) 3.230 7.952 ( 1.649 0.001 3.680) 4.033 8.078 ( 7.476 5.033 2.482) 9.348 8.187 ( 0.723 -2.767 2.526) 3.816 8.287 ( 2.768 -2.878 -4.411) 5.950 8.369 ( -2.825 1.407 2.701) 4.154 8.633 ( 9.216 7.305 -11.087) 16.163 8.873 ( -8.039 -1.634 8.753) 11.996 9.361 ( -6.595 -3.493 -7.522) 10.596 9.563 ( -7.565 -0.185 -0.817) 7.611 9.755 ( -1.526 0.099 3.867) 4.158 9.925 ( -0.685 -5.079 1.952) 5.484 10.184 ( -0.311 3.555 2.629) 4.432 10.396 ( 2.314 -1.024 9.621) 9.948 11.191 ( 2.118 2.261 -2.400) 3.919 11.266 ( 2.058 2.904 -0.198) 3.564 11.512 ( 2.526 3.881 -2.611) 5.316 11.954 ( -2.424 -3.163 -9.711) 10.496 12.347 ( -3.425 -4.117 -3.126) 6.201 12.756 ( -1.959 1.246 5.697) 6.152 13.674 ( 3.318 0.367 0.206) 3.345 13.785 ( 1.001 -1.700 4.157) 4.601 14.583 ( 9.358 -3.563 7.468) 12.491 15.190 ( -12.743 -2.678 -27.071) 30.040 16.521 ( -2.440 2.397 -2.662) 4.334 16.798 ( -14.383 1.608 17.588) 22.777 18.533 ( -0.284 -0.390 1.640) 1.709 19.025 ( 4.788 -4.914 -9.734) 11.908 19.660 ( 1.244 4.333 5.626) 7.210 21.066 ( 5.531 1.524 0.742) 5.785 22.488 ( 0.853 -0.741 -0.044) 1.130 22.573 ( -0.538 -0.291 0.162) 0.632 ======================= Grid point 121 (47/141) ======================= q-point: (-0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -11.435 17.949 -6.732) 22.321 1.826 ( -10.943 17.367 9.903) 22.791 2.379 ( 9.568 11.320 5.341) 15.755 2.579 ( -0.535 -2.595 -3.945) 4.752 2.923 ( -19.756 7.107 -0.340) 20.998 3.010 ( -14.495 0.559 -2.037) 14.648 3.159 ( -6.223 6.011 -1.031) 8.714 3.488 ( 8.235 -2.758 1.275) 8.778 3.686 ( -6.462 -4.340 -0.946) 7.842 3.998 ( 0.626 -1.790 -1.053) 2.169 4.032 ( 1.869 0.117 -2.903) 3.454 4.366 ( -4.488 1.122 1.417) 4.838 4.528 ( -3.677 -0.313 -3.194) 4.880 4.590 ( -0.796 1.140 -0.642) 1.531 4.790 ( 0.769 1.256 2.482) 2.886 4.917 ( -4.354 -1.302 -0.998) 4.653 5.000 ( -1.384 -2.104 0.849) 2.657 5.157 ( 0.791 8.249 3.562) 9.020 5.249 ( -0.320 -11.976 1.807) 12.116 5.460 ( -1.346 -5.283 3.834) 6.665 5.554 ( -3.625 6.346 -0.703) 7.342 5.600 ( 0.984 -0.367 -2.232) 2.467 5.796 ( -1.641 -3.317 -2.791) 4.636 6.013 ( 4.212 -2.390 4.029) 6.300 6.137 ( 4.274 0.068 2.464) 4.934 6.252 ( 8.558 -2.205 -1.106) 8.907 6.351 ( -4.401 -8.615 -3.813) 10.398 6.541 ( 1.195 -0.446 -8.251) 8.349 6.695 ( -3.005 -2.721 2.824) 4.940 6.900 ( 1.455 -0.489 -3.499) 3.820 6.932 ( 0.196 -6.216 8.162) 10.261 7.061 ( 1.546 -3.622 -0.258) 3.947 7.362 ( 3.395 3.374 0.920) 4.874 7.372 ( 5.229 -0.125 -7.036) 8.767 7.760 ( -1.048 1.397 1.844) 2.540 7.986 ( 0.569 -0.014 2.026) 2.105 8.153 ( 5.497 5.293 2.739) 8.108 8.220 ( 0.912 2.578 3.790) 4.673 8.285 ( -2.743 1.527 0.073) 3.140 8.365 ( 2.343 -2.590 -2.005) 4.027 8.678 ( 8.851 2.705 -12.537) 15.583 8.813 ( -7.841 -3.426 9.306) 12.642 9.218 ( -10.532 -2.528 -5.855) 12.312 9.383 ( -13.218 0.530 -0.164) 13.230 9.770 ( 0.755 -0.263 2.054) 2.204 9.956 ( -1.206 -3.097 2.637) 4.243 10.173 ( 2.111 5.026 6.341) 8.362 10.508 ( 4.653 -0.619 7.194) 8.590 11.118 ( -2.982 1.103 -15.667) 15.987 11.237 ( -2.502 5.377 3.890) 7.093 11.531 ( 4.942 3.413 1.238) 6.132 11.896 ( -2.050 0.155 -6.693) 7.002 12.350 ( -3.455 -9.244 -1.610) 9.999 12.752 ( -0.245 0.816 4.309) 4.393 13.752 ( 4.863 -1.352 0.352) 5.059 13.803 ( -1.598 -1.932 0.779) 2.625 14.807 ( -0.460 -2.774 -6.704) 7.270 14.923 ( 0.153 -5.328 -9.842) 11.193 16.389 ( -8.561 3.164 -2.861) 9.564 16.650 ( -12.933 -0.213 12.721) 18.142 18.530 ( -7.765 -7.384 9.480) 14.307 19.171 ( 11.990 -7.388 -15.303) 20.797 19.647 ( 1.327 8.536 8.741) 12.289 21.133 ( 6.456 3.909 -0.512) 7.565 22.503 ( 0.430 0.158 0.552) 0.718 22.563 ( -0.429 0.686 -0.400) 0.903 ======================= Grid point 122 (48/141) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -14.389 22.367 -6.874) 27.470 1.521 ( -10.271 21.949 14.818) 28.405 2.205 ( -20.705 15.437 -1.752) 25.886 2.473 ( -7.492 4.553 -4.190) 9.717 2.718 ( -19.067 -4.275 -9.274) 21.629 2.745 ( 4.591 0.984 -1.602) 4.961 3.035 ( -1.466 5.548 10.721) 12.161 3.605 ( -6.977 -3.181 0.663) 7.697 3.699 ( 10.347 -0.780 3.075) 10.823 3.912 ( -6.855 1.104 -4.890) 8.493 4.045 ( -0.915 3.364 1.658) 3.860 4.236 ( -5.578 1.827 2.793) 6.500 4.476 ( -2.943 -0.105 -3.621) 4.667 4.624 ( 3.508 0.327 1.859) 3.983 4.786 ( -1.140 0.898 -0.522) 1.542 4.836 ( -2.541 3.841 -3.140) 5.574 5.053 ( 1.395 1.966 2.409) 3.409 5.148 ( 4.054 -6.244 4.351) 8.623 5.285 ( -3.029 5.942 4.224) 7.894 5.477 ( 2.734 -6.706 -3.236) 7.932 5.572 ( 1.530 -2.818 -2.455) 4.039 5.641 ( 2.447 -4.949 -3.253) 6.408 5.793 ( -1.270 -4.883 -1.291) 5.208 6.112 ( 1.360 -3.842 -1.149) 4.235 6.196 ( 0.587 -4.705 0.712) 4.795 6.355 ( -2.243 -9.416 -3.570) 10.317 6.423 ( 5.770 -1.843 0.435) 6.073 6.552 ( 5.709 -1.115 -4.249) 7.204 6.652 ( -5.475 0.046 3.900) 6.723 6.891 ( 0.662 0.282 -5.167) 5.217 7.034 ( -1.394 -5.240 4.613) 7.119 7.091 ( -0.837 -4.497 1.306) 4.757 7.429 ( 8.909 2.860 -0.892) 9.399 7.489 ( 9.617 -2.121 -1.783) 10.008 7.764 ( 1.503 0.385 2.345) 2.812 7.980 ( 0.637 4.209 -1.630) 4.558 8.136 ( -4.764 3.675 9.470) 11.220 8.206 ( 2.202 7.475 2.079) 8.065 8.254 ( -0.634 -0.432 -2.075) 2.213 8.400 ( 0.725 -0.069 -1.260) 1.455 8.701 ( -3.659 -4.547 -1.956) 6.156 8.805 ( 1.642 -2.235 -1.675) 3.240 9.046 ( -9.625 -1.028 -4.484) 10.668 9.166 ( -11.348 1.048 -0.562) 11.410 9.781 ( -1.982 -0.669 2.742) 3.449 9.981 ( -0.631 -2.193 2.916) 3.702 10.242 ( 11.656 9.008 8.190) 16.855 10.596 ( 3.342 0.465 1.039) 3.530 10.911 ( -8.212 3.905 -25.470) 27.044 11.140 ( -5.669 4.350 3.571) 7.989 11.609 ( 5.143 1.257 8.857) 10.318 11.837 ( -0.521 1.346 -4.585) 4.807 12.368 ( -8.765 -12.632 1.317) 15.431 12.773 ( 1.376 0.474 2.871) 3.218 13.742 ( -4.178 -0.144 -1.398) 4.408 13.891 ( 6.725 -4.357 -2.764) 8.476 14.558 ( -12.418 -3.928 -19.537) 23.480 15.201 ( 15.289 -2.473 11.515) 19.299 16.176 ( -13.904 0.064 -3.145) 14.255 16.503 ( -11.453 1.445 8.717) 14.465 18.528 ( -12.559 -13.159 15.053) 23.611 19.330 ( 6.228 -6.201 -16.175) 18.409 19.669 ( 8.025 7.769 10.550) 15.364 21.195 ( 7.867 4.977 -3.361) 9.897 22.505 ( -0.019 0.956 1.066) 1.432 22.545 ( 0.054 1.446 -1.179) 1.867 ======================= Grid point 123 (49/141) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -7.675 25.403 -1.753) 26.595 1.180 ( -16.970 21.001 13.693) 30.274 1.651 ( -19.679 26.257 22.872) 39.998 2.380 ( -3.956 -4.217 -16.654) 17.629 2.420 ( -8.258 -2.120 -20.183) 21.910 2.712 ( -1.938 7.228 1.611) 7.654 3.129 ( 4.713 -2.523 8.633) 10.154 3.537 ( -5.388 -2.560 3.174) 6.757 3.710 ( -5.385 3.893 -5.634) 8.712 3.841 ( 0.101 1.274 -1.410) 1.903 4.012 ( 3.745 6.547 4.982) 9.040 4.237 ( 1.078 -1.256 9.521) 9.664 4.358 ( -8.910 -0.200 -3.941) 9.744 4.666 ( 1.757 6.443 6.317) 9.193 4.698 ( -4.117 4.962 -2.212) 6.816 4.796 ( 1.966 -3.487 -10.108) 10.872 5.100 ( 1.945 -1.827 -2.734) 3.820 5.154 ( -2.925 3.925 3.793) 6.192 5.374 ( 4.935 -4.595 4.058) 7.871 5.528 ( 3.433 -0.583 -5.021) 6.110 5.598 ( 1.868 -1.457 -6.565) 6.980 5.702 ( 1.431 -3.204 -0.965) 3.639 5.882 ( 2.388 -11.166 0.139) 11.419 6.115 ( -2.619 -4.703 -6.182) 8.197 6.257 ( -0.823 -5.972 0.463) 6.047 6.390 ( -0.689 -5.605 -4.567) 7.262 6.485 ( 3.689 0.101 -3.892) 5.363 6.577 ( -4.098 1.227 4.132) 5.948 6.690 ( 2.870 -5.967 3.439) 7.461 6.880 ( 2.326 0.364 -5.726) 6.191 7.016 ( -2.977 -2.157 0.828) 3.768 7.173 ( 0.324 -5.019 4.580) 6.802 7.557 ( 9.290 0.414 -0.840) 9.337 7.670 ( 8.065 -2.860 2.031) 8.795 7.803 ( 1.599 1.914 0.361) 2.520 7.920 ( 1.560 5.724 0.794) 5.986 8.079 ( -3.863 1.734 6.813) 8.021 8.160 ( 1.188 6.505 -0.931) 6.678 8.229 ( -2.562 0.453 1.198) 2.865 8.370 ( -3.267 2.474 1.876) 4.507 8.672 ( -5.511 -7.832 1.969) 9.777 8.854 ( 4.292 -0.524 -7.034) 8.257 8.901 ( -5.818 0.680 -0.659) 5.894 9.038 ( -3.017 0.796 -1.404) 3.422 9.743 ( -5.049 -0.108 4.198) 6.568 10.003 ( -0.770 -1.024 3.028) 3.288 10.431 ( 17.581 17.036 -16.355) 29.441 10.550 ( -8.808 2.885 -8.341) 12.468 10.619 ( 1.794 0.623 -3.388) 3.884 11.013 ( -6.272 4.229 2.088) 7.847 11.772 ( 7.605 -1.906 12.119) 14.434 11.815 ( 1.393 1.266 -1.922) 2.690 12.337 ( -13.787 -16.243 12.912) 24.913 12.801 ( 0.634 0.283 1.844) 1.970 13.676 ( -0.951 0.768 -1.457) 1.902 14.021 ( 5.486 -4.446 -4.901) 8.596 14.424 ( 2.337 -1.606 4.054) 4.948 15.495 ( 12.755 1.295 9.768) 16.117 15.940 ( -16.387 -6.498 -2.365) 17.786 16.338 ( -9.176 4.722 3.400) 10.866 18.529 ( -18.721 -19.754 21.728) 34.825 19.323 ( -0.490 1.958 -6.730) 7.026 19.850 ( 12.281 -0.415 4.450) 13.069 21.229 ( 5.380 5.390 -12.883) 14.965 22.491 ( -0.664 1.512 0.238) 1.668 22.529 ( 0.870 1.779 -1.517) 2.495 ======================= Grid point 124 (50/141) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 7.502 11.730 15.503) 20.838 0.800 ( -6.467 17.289 20.510) 27.594 1.414 ( 3.174 27.448 38.129) 47.088 2.221 ( -0.880 -0.144 -18.141) 18.163 2.337 ( -0.638 -6.151 -28.500) 29.163 2.649 ( 0.832 3.924 5.571) 6.865 3.226 ( 1.935 -2.995 -1.613) 3.914 3.513 ( -2.465 -0.127 -3.630) 4.390 3.599 ( 1.425 0.368 1.030) 1.796 3.844 ( 3.187 3.230 4.280) 6.237 3.997 ( -3.800 5.144 3.714) 7.395 4.181 ( -5.299 2.664 2.386) 6.393 4.392 ( 6.991 -2.514 7.159) 10.317 4.544 ( -4.947 7.555 -6.231) 10.971 4.643 ( 1.990 6.981 3.506) 8.061 4.791 ( 0.516 3.432 -5.807) 6.765 5.026 ( -4.864 2.849 -2.679) 6.241 5.134 ( -0.653 0.160 -2.824) 2.903 5.394 ( -2.720 -3.460 -2.540) 5.082 5.554 ( -1.169 -1.180 -8.131) 8.299 5.661 ( 4.669 -0.494 5.058) 6.902 5.750 ( 2.427 -2.620 -2.923) 4.614 6.036 ( -1.182 -11.080 -1.127) 11.200 6.097 ( 0.088 -6.878 -3.683) 7.802 6.263 ( -2.488 -4.980 -3.196) 6.419 6.429 ( -3.370 4.964 -4.886) 7.738 6.472 ( 6.116 -0.522 2.542) 6.644 6.582 ( -2.142 -5.933 2.672) 6.850 6.716 ( -6.052 -6.242 -0.494) 8.708 6.907 ( 3.258 5.264 0.736) 6.234 7.055 ( 3.483 -4.412 4.228) 7.033 7.217 ( -1.931 -1.988 5.032) 5.745 7.652 ( -1.856 3.391 -5.251) 6.521 7.692 ( 0.009 -2.060 2.335) 3.114 7.845 ( 1.443 -5.330 0.615) 5.556 7.966 ( 2.934 3.096 0.554) 4.301 8.052 ( 1.511 3.236 -2.445) 4.328 8.087 ( -0.540 3.057 -2.986) 4.308 8.144 ( -5.057 4.888 3.000) 7.646 8.318 ( -1.726 3.092 3.711) 5.129 8.732 ( -0.340 -7.935 0.870) 7.990 8.843 ( 1.072 0.838 0.054) 1.362 8.911 ( 4.611 1.723 -2.566) 5.551 9.061 ( 7.317 -2.716 -0.454) 7.818 9.691 ( -3.111 0.741 5.294) 6.185 9.960 ( -3.343 4.353 -5.423) 7.716 10.131 ( -4.629 3.852 -4.180) 7.331 10.571 ( -1.564 -1.379 -6.770) 7.083 10.886 ( 24.832 5.011 -2.112) 25.421 10.896 ( -0.061 3.879 -0.909) 3.985 11.824 ( -6.487 -1.269 1.521) 6.783 11.845 ( 1.268 0.194 0.564) 1.401 12.589 ( 9.487 -19.246 18.284) 28.190 12.795 ( -1.819 -0.024 0.602) 1.916 13.701 ( 0.108 -1.504 4.061) 4.332 14.076 ( 0.204 -2.552 -4.605) 5.269 15.115 ( 63.833 -31.674 26.112) 75.893 15.534 ( -8.401 -1.288 1.379) 8.610 15.921 ( 10.753 -6.355 3.950) 13.100 16.162 ( -5.423 6.757 -2.127) 8.921 18.522 ( -29.475 -30.047 32.600) 53.239 19.266 ( 0.037 3.610 -1.180) 3.798 20.048 ( 6.313 -2.697 4.663) 8.299 20.962 ( -15.284 24.006 -29.324) 40.863 22.452 ( -1.488 2.600 -0.903) 3.129 22.520 ( 0.879 1.543 -1.104) 2.090 ======================= Grid point 127 (51/141) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 14.611 0.000 -4.504) 15.289 2.151 ( 22.108 0.000 9.143) 23.924 2.231 ( 16.042 0.000 -0.618) 16.054 2.476 ( 10.893 0.000 -11.423) 15.785 2.806 ( 7.596 0.000 -2.630) 8.038 3.140 ( 4.668 0.000 2.049) 5.098 3.346 ( 3.610 0.000 -8.809) 9.520 3.521 ( 0.025 0.000 5.805) 5.805 3.845 ( 6.481 0.000 6.796) 9.391 3.875 ( -8.188 -0.000 -3.901) 9.069 3.985 ( -5.438 -0.000 -9.526) 10.969 4.140 ( 0.538 0.000 3.878) 3.915 4.535 ( -7.990 -0.000 0.296) 7.995 4.586 ( 1.378 0.000 3.252) 3.532 4.864 ( 1.706 0.000 -3.200) 3.626 4.926 ( 11.085 0.000 12.974) 17.064 5.152 ( 4.670 0.000 12.260) 13.119 5.183 ( 6.044 0.000 -5.181) 7.961 5.261 ( -2.421 -0.000 3.276) 4.073 5.357 ( -5.357 -0.000 -8.375) 9.941 5.598 ( -15.482 -0.000 3.689) 15.915 5.641 ( 5.550 0.000 -6.311) 8.404 5.856 ( 1.648 0.000 -0.142) 1.654 5.878 ( 4.650 0.000 2.344) 5.207 6.155 ( -3.497 -0.000 0.527) 3.537 6.302 ( 0.630 0.000 0.371) 0.731 6.479 ( 1.341 0.000 0.734) 1.529 6.512 ( -8.848 -0.000 -2.444) 9.179 6.673 ( -10.266 -0.000 5.164) 11.491 6.842 ( 4.493 0.000 -14.144) 14.840 6.966 ( -7.999 -0.000 7.042) 10.657 7.073 ( -10.649 -0.000 -5.323) 11.905 7.255 ( 7.700 0.000 -1.557) 7.855 7.546 ( 1.308 0.000 -1.969) 2.364 7.658 ( -2.692 -0.000 4.121) 4.922 7.877 ( 5.862 0.000 -0.095) 5.863 8.080 ( -5.652 -0.000 5.485) 7.876 8.119 ( 7.075 0.000 -4.668) 8.476 8.280 ( -7.337 -0.000 0.700) 7.371 8.309 ( -3.811 -0.000 6.881) 7.866 8.850 ( 0.031 0.000 1.820) 1.820 9.029 ( 5.955 0.000 -9.548) 11.253 9.384 ( -6.873 -0.000 -1.967) 7.149 9.452 ( 9.439 0.000 -3.774) 10.166 9.636 ( 9.784 0.000 1.212) 9.859 9.892 ( -5.922 -0.000 3.158) 6.711 10.306 ( 1.188 0.000 7.389) 7.484 10.312 ( -2.057 -0.000 -2.958) 3.602 10.960 ( 9.926 0.000 1.270) 10.007 11.336 ( -4.463 -0.000 -2.271) 5.008 11.478 ( 4.113 0.000 2.541) 4.835 12.187 ( -7.676 -0.000 -16.594) 18.283 12.416 ( -0.348 -0.000 7.249) 7.258 12.848 ( -4.072 -0.000 4.728) 6.240 13.586 ( -0.225 -0.000 0.773) 0.805 13.692 ( 1.331 0.000 -2.104) 2.490 14.445 ( -6.041 -0.000 -2.873) 6.690 15.670 ( -5.440 -0.000 -15.102) 16.052 16.437 ( 8.112 0.000 -7.701) 11.185 17.356 ( -28.551 -0.000 36.512) 46.350 18.774 ( 18.165 0.000 -34.358) 38.865 18.962 ( -14.205 -0.000 4.338) 14.852 19.522 ( 5.515 0.000 6.813) 8.765 20.779 ( 7.016 0.000 8.017) 10.654 22.417 ( 1.142 0.000 -0.321) 1.186 22.548 ( 0.080 0.000 0.077) 0.111 ======================= Grid point 128 (52/141) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 11.130 7.934 -5.058) 14.574 2.414 ( 13.609 11.986 4.877) 18.779 2.460 ( 11.124 4.322 -2.457) 12.185 2.604 ( 12.117 0.713 -3.677) 12.683 2.892 ( 7.279 -1.066 -3.880) 8.317 3.291 ( 5.774 -3.123 3.826) 7.598 3.336 ( 2.169 1.059 -6.941) 7.349 3.498 ( -7.030 -6.180 3.710) 10.069 3.736 ( -6.703 -1.328 -3.887) 7.861 3.840 ( -3.473 2.272 -1.382) 4.375 3.999 ( -0.117 -6.747 2.968) 7.372 4.189 ( 1.245 -3.776 1.756) 4.347 4.394 ( -9.664 -2.824 0.660) 10.089 4.593 ( 0.157 0.169 -2.624) 2.634 4.863 ( -0.854 1.727 -0.091) 1.929 5.086 ( -3.119 0.748 0.433) 3.237 5.184 ( 1.259 2.865 2.092) 3.764 5.227 ( 1.924 -0.137 -0.298) 1.951 5.247 ( -3.365 1.215 2.284) 4.244 5.307 ( -2.665 -1.635 9.195) 9.712 5.404 ( -5.103 -2.771 7.786) 9.713 5.760 ( 10.294 -0.204 -7.194) 12.561 5.848 ( 0.359 4.417 -0.466) 4.456 5.992 ( 1.993 -6.355 0.557) 6.684 6.139 ( 2.384 4.134 -1.278) 4.940 6.202 ( -9.098 -1.487 -6.758) 11.430 6.365 ( -5.115 1.869 2.375) 5.941 6.493 ( -2.032 3.836 4.077) 5.955 6.627 ( 1.508 -1.576 6.076) 6.455 6.793 ( 1.330 4.697 -11.930) 12.891 6.890 ( -9.393 -2.259 -4.384) 10.609 6.939 ( -1.673 -3.016 3.662) 5.031 7.342 ( 3.151 -1.588 -2.609) 4.388 7.528 ( -0.372 3.142 -1.145) 3.365 7.693 ( 1.258 -5.202 0.553) 5.380 7.965 ( 3.481 2.452 1.658) 4.569 8.037 ( -2.652 -3.872 3.852) 6.072 8.164 ( -0.043 5.287 0.498) 5.310 8.196 ( 1.179 -1.284 -1.475) 2.284 8.333 ( 0.650 -3.369 3.944) 5.228 8.842 ( 1.574 5.938 1.840) 6.412 8.994 ( -2.640 4.412 -5.572) 7.581 9.310 ( -4.811 -7.378 -6.228) 10.787 9.567 ( 5.774 -0.147 -1.620) 5.998 9.755 ( 3.119 -1.985 1.333) 3.930 9.808 ( -6.637 -0.116 5.140) 8.396 10.272 ( -1.091 1.442 -0.277) 1.829 10.336 ( -1.210 -0.049 8.057) 8.148 11.157 ( 12.545 1.888 4.822) 13.572 11.265 ( -2.321 -1.022 -5.528) 6.082 11.565 ( 5.209 1.842 4.140) 6.904 11.975 ( -8.019 -2.232 -17.708) 19.566 12.396 ( -4.607 0.299 0.443) 4.638 12.805 ( -3.805 0.563 5.308) 6.555 13.648 ( 4.049 0.093 5.642) 6.945 13.700 ( 1.325 -0.100 -2.092) 2.478 14.398 ( 0.495 -1.240 1.963) 2.374 15.465 ( -10.284 0.002 -19.065) 21.662 16.505 ( 3.944 -1.385 -8.032) 9.055 17.093 ( -21.408 3.288 27.834) 35.268 18.692 ( -3.553 9.441 -3.113) 10.557 18.924 ( 2.821 -6.693 -16.798) 18.301 19.642 ( 5.465 0.733 7.073) 8.969 20.934 ( 7.196 -1.552 4.609) 8.685 22.439 ( 1.391 -0.750 -0.588) 1.686 22.552 ( -0.223 -0.751 0.397) 0.878 ======================= Grid point 129 (53/141) ======================= q-point: (-0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 0.227 9.134 -3.403) 9.749 2.417 ( 2.136 18.739 2.891) 19.080 2.492 ( 5.645 7.299 4.202) 10.139 2.723 ( 8.991 10.000 -2.807) 13.737 3.073 ( 13.688 -1.713 -1.886) 13.923 3.247 ( -7.365 4.045 -1.564) 8.547 3.302 ( -4.277 2.703 -3.233) 6.004 3.529 ( -3.789 -9.138 3.788) 10.593 3.636 ( -6.854 1.001 -3.428) 7.728 3.818 ( 1.999 -3.647 -0.400) 4.178 4.043 ( 1.939 0.212 -2.123) 2.883 4.290 ( 3.174 -6.544 1.948) 7.529 4.356 ( -5.068 -15.797 2.043) 16.715 4.577 ( 0.302 -0.165 -3.944) 3.959 4.797 ( -4.781 2.308 -0.616) 5.344 4.947 ( -7.547 -2.262 -2.990) 8.426 5.055 ( -14.324 2.382 10.333) 17.822 5.163 ( -4.764 2.704 -1.976) 5.823 5.272 ( 2.287 -2.856 -4.522) 5.817 5.376 ( 5.851 2.842 7.790) 10.149 5.531 ( 0.919 -7.087 13.539) 15.309 5.742 ( -4.027 6.991 0.339) 8.075 5.830 ( -2.399 -0.165 -10.108) 10.390 6.046 ( -0.156 -7.901 -8.358) 11.503 6.054 ( 0.025 -2.152 -0.400) 2.189 6.125 ( -2.885 6.128 -0.166) 6.775 6.363 ( 0.046 3.653 3.027) 4.744 6.455 ( 3.706 1.488 5.701) 6.961 6.669 ( -4.746 -0.201 -0.300) 4.760 6.764 ( 3.587 -4.836 -7.571) 9.674 6.809 ( 1.547 -0.492 -1.929) 2.521 6.984 ( 1.803 -1.217 3.409) 4.044 7.361 ( 0.822 -0.302 -5.272) 5.344 7.484 ( -0.343 3.700 0.554) 3.757 7.765 ( 2.097 -2.962 -0.956) 3.753 7.942 ( -3.573 -0.003 4.100) 5.438 8.081 ( -0.512 -3.689 2.805) 4.663 8.195 ( 8.464 3.507 0.546) 9.178 8.223 ( 0.420 -3.313 -1.065) 3.506 8.392 ( 1.996 0.771 1.521) 2.625 8.804 ( 4.683 8.739 -7.191) 12.248 8.868 ( -8.385 1.344 6.669) 10.797 9.270 ( -5.197 -5.802 -7.978) 11.150 9.563 ( -6.397 0.178 -0.938) 6.468 9.753 ( -1.968 -0.227 3.361) 3.901 9.822 ( 0.106 -4.592 3.059) 5.519 10.250 ( 0.272 2.952 3.683) 4.728 10.381 ( 1.564 -0.732 10.557) 10.697 11.200 ( -0.879 -0.248 -9.124) 9.170 11.343 ( 7.113 3.552 6.116) 10.031 11.607 ( 3.417 5.599 -1.770) 6.794 11.867 ( -0.619 -5.514 -10.444) 11.827 12.288 ( -8.196 -1.915 -3.275) 9.031 12.773 ( -2.645 0.494 5.034) 5.708 13.686 ( 1.598 0.735 -1.252) 2.159 13.754 ( 1.526 -1.346 4.650) 5.076 14.520 ( 9.328 -2.530 8.005) 12.549 15.165 ( -14.910 -0.327 -21.553) 26.209 16.498 ( -2.994 -2.513 -7.612) 8.557 16.882 ( -14.674 4.558 19.272) 24.648 18.542 ( -9.692 0.858 6.142) 11.506 18.970 ( 9.641 -1.039 -18.989) 21.321 19.738 ( 4.113 3.094 8.310) 9.775 21.072 ( 6.955 -0.402 1.453) 7.116 22.468 ( 1.273 -1.057 -0.478) 1.722 22.559 ( -0.274 -0.965 0.467) 1.107 ======================= Grid point 130 (54/141) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -8.107 12.878 -3.519) 15.619 2.216 ( -3.924 21.412 6.652) 22.762 2.550 ( 1.513 0.542 0.483) 1.678 2.672 ( 3.855 16.073 3.253) 16.846 3.023 ( -11.808 2.139 -2.378) 12.234 3.095 ( -15.102 7.776 -1.045) 17.018 3.259 ( 3.149 4.727 -1.534) 5.883 3.481 ( 2.453 2.550 0.227) 3.546 3.589 ( -1.080 -5.092 2.959) 5.987 3.929 ( 3.088 -4.612 -2.374) 6.037 4.061 ( 4.271 2.289 -0.781) 4.908 4.327 ( -4.333 -5.152 -0.724) 6.771 4.494 ( 1.429 -4.512 -5.011) 6.893 4.596 ( -0.946 -1.880 -1.168) 2.407 4.707 ( -2.069 -6.116 -1.045) 6.540 4.901 ( -4.384 -2.392 4.773) 6.908 4.951 ( -3.549 -5.347 4.909) 8.079 5.019 ( -4.432 -0.516 -2.588) 5.158 5.323 ( 0.781 -5.260 -3.629) 6.437 5.402 ( -1.894 8.907 7.562) 11.837 5.606 ( -2.886 0.729 2.491) 3.881 5.649 ( -2.381 -1.132 5.090) 5.732 5.729 ( -4.648 -2.663 -3.925) 6.641 5.995 ( -3.405 2.240 -0.864) 4.166 6.081 ( -1.758 -6.815 -6.857) 9.826 6.134 ( 2.693 -6.014 -5.611) 8.654 6.324 ( 1.368 4.488 4.944) 6.816 6.553 ( 2.945 -0.046 -0.491) 2.986 6.591 ( -5.169 -4.682 -0.674) 7.007 6.817 ( 0.639 -4.285 3.884) 5.818 6.923 ( 10.269 -0.214 -7.262) 12.579 7.031 ( 1.356 0.442 2.497) 2.875 7.353 ( 2.566 -0.348 -6.461) 6.960 7.463 ( 2.787 5.016 2.760) 6.368 7.798 ( 1.907 1.590 -0.617) 2.558 7.924 ( -3.907 -4.171 4.889) 7.521 8.140 ( 0.940 -4.846 1.132) 5.065 8.255 ( 1.794 -2.396 -1.342) 3.280 8.310 ( 7.071 2.127 -0.215) 7.387 8.378 ( -1.284 4.873 3.204) 5.972 8.747 ( -3.070 2.471 -2.627) 4.736 8.796 ( -0.190 2.245 1.812) 2.891 9.164 ( -8.990 -2.914 -6.153) 11.277 9.398 ( -11.748 1.038 -0.553) 11.807 9.754 ( -0.554 -1.297 1.107) 1.793 9.879 ( -0.399 -4.250 2.891) 5.156 10.274 ( 4.610 5.100 8.733) 11.114 10.499 ( 5.205 -0.548 10.157) 11.427 11.129 ( -1.468 0.081 -14.673) 14.746 11.330 ( -4.423 3.951 0.622) 5.964 11.623 ( 6.052 5.603 0.079) 8.248 11.893 ( 1.460 -0.799 -4.122) 4.445 12.180 ( -8.378 -7.532 -1.830) 11.414 12.762 ( -0.862 0.231 3.801) 3.904 13.717 ( 2.850 -2.009 -1.978) 4.009 13.779 ( -1.539 -0.470 2.507) 2.979 14.774 ( 2.656 -0.975 -0.162) 2.834 14.839 ( -3.708 -3.023 -7.988) 9.311 16.377 ( -11.009 -2.624 -6.918) 13.264 16.717 ( -9.796 5.015 12.081) 16.342 18.429 ( -10.576 -3.192 9.641) 14.662 19.075 ( 12.505 -2.798 -19.266) 23.139 19.793 ( 2.763 6.037 11.017) 12.862 21.177 ( 6.618 1.076 -1.194) 6.811 22.493 ( 0.770 -0.855 0.105) 1.155 22.564 ( -0.146 -0.500 -0.004) 0.521 ======================= Grid point 131 (55/141) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -10.162 20.123 -2.794) 22.716 1.956 ( -7.829 21.499 9.818) 24.898 2.431 ( -3.183 5.345 -15.298) 16.514 2.596 ( -14.783 -3.567 0.611) 15.220 2.655 ( -20.147 16.610 -0.500) 26.116 2.921 ( 6.912 10.609 9.804) 16.014 3.148 ( -5.867 6.251 5.319) 10.089 3.550 ( -1.077 -1.739 0.612) 2.135 3.705 ( 11.318 1.375 3.272) 11.861 3.916 ( -4.111 -0.639 -3.709) 5.574 4.128 ( 5.347 4.445 1.579) 7.131 4.239 ( -7.188 -1.572 -1.993) 7.623 4.474 ( -1.871 0.019 -6.460) 6.726 4.589 ( 0.818 -1.766 0.557) 2.025 4.781 ( -0.069 -5.087 0.094) 5.088 4.819 ( -3.702 -1.424 -2.698) 4.797 5.017 ( 4.860 -5.724 5.221) 9.146 5.158 ( -3.374 -3.012 4.503) 6.382 5.249 ( 4.021 -0.009 -0.188) 4.025 5.399 ( -2.453 -3.725 2.453) 5.091 5.551 ( -0.296 3.278 -3.348) 4.695 5.603 ( -1.307 0.174 -0.242) 1.341 5.710 ( -2.835 -4.386 -1.477) 5.427 5.979 ( -5.304 -10.237 -0.380) 11.536 6.086 ( -1.957 -6.372 -3.841) 7.693 6.180 ( 0.722 -4.993 -4.063) 6.478 6.384 ( 2.711 -2.913 4.338) 5.887 6.540 ( 2.641 0.353 -10.068) 10.415 6.594 ( -4.963 -5.140 5.841) 9.229 6.889 ( 2.670 -1.658 -0.600) 3.200 7.009 ( 4.568 1.535 -5.044) 6.976 7.045 ( 0.329 0.613 2.756) 2.842 7.418 ( 6.877 -3.023 -3.898) 8.463 7.518 ( 7.938 4.710 3.810) 9.986 7.808 ( 2.952 3.257 0.662) 4.446 7.943 ( -2.965 -6.057 4.728) 8.236 8.185 ( -1.608 -4.186 -1.415) 4.702 8.262 ( -3.169 5.279 0.417) 6.171 8.316 ( 0.971 1.395 2.822) 3.294 8.389 ( 2.914 1.822 2.437) 4.213 8.644 ( -8.558 -1.158 2.928) 9.118 8.810 ( 5.057 1.875 -6.164) 8.191 9.017 ( -8.323 -1.897 -3.347) 9.169 9.195 ( -10.417 1.983 -1.188) 10.670 9.757 ( -1.999 -1.686 1.213) 2.883 9.922 ( -0.566 -3.546 2.831) 4.573 10.399 ( 12.506 7.142 11.902) 18.683 10.611 ( 3.783 0.966 3.508) 5.249 10.982 ( -4.354 2.931 -24.123) 24.687 11.216 ( -5.386 3.095 1.680) 6.436 11.647 ( 0.822 2.274 5.153) 5.692 11.882 ( 2.324 3.337 -3.746) 5.529 12.141 ( -9.932 -10.358 4.160) 14.941 12.777 ( 0.877 -0.099 2.206) 2.376 13.740 ( -3.061 -0.648 -1.307) 3.390 13.804 ( 4.451 -3.649 -1.822) 6.037 14.508 ( -11.844 -1.507 -12.873) 17.557 15.153 ( 17.024 -2.319 13.412) 21.796 16.141 ( -17.465 -2.666 -6.374) 18.782 16.580 ( -6.985 5.241 6.506) 10.890 18.356 ( -10.794 -5.369 12.188) 17.143 19.216 ( 11.286 -5.166 -20.381) 23.863 19.827 ( 2.856 7.612 14.721) 16.817 21.251 ( 6.028 1.599 -4.380) 7.621 22.508 ( -0.034 -0.356 0.856) 0.928 22.563 ( 0.198 0.313 -0.863) 0.939 ======================= Grid point 132 (56/141) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -5.556 24.919 -0.456) 25.535 1.599 ( -16.123 21.358 5.646) 27.350 2.191 ( -6.519 26.940 12.354) 30.346 2.313 ( -3.862 -0.958 -16.185) 16.667 2.354 ( -12.148 -2.459 -13.773) 18.529 2.933 ( 0.066 14.243 5.351) 15.215 3.114 ( 0.509 -1.196 14.325) 14.384 3.520 ( -2.752 1.444 2.850) 4.217 3.780 ( -2.358 3.226 -4.590) 6.086 3.859 ( 1.483 0.775 -0.515) 1.750 4.168 ( 9.193 8.315 3.624) 12.915 4.212 ( 0.837 -1.128 2.417) 2.795 4.365 ( -7.334 0.856 -6.879) 10.092 4.636 ( -0.350 -5.390 -1.404) 5.581 4.766 ( -0.166 1.592 1.813) 2.418 4.821 ( -1.585 1.250 -1.339) 2.422 5.035 ( -3.915 -1.192 2.376) 4.732 5.188 ( 2.322 -3.909 4.421) 6.341 5.324 ( -0.963 1.379 3.218) 3.631 5.486 ( 7.977 -7.210 -1.200) 10.819 5.550 ( 0.066 -1.276 -7.870) 7.973 5.616 ( 2.168 -4.464 -1.288) 5.127 5.710 ( -1.645 -5.141 -0.696) 5.442 5.982 ( -5.850 -11.362 -5.540) 13.928 6.108 ( -1.532 -7.239 -1.930) 7.646 6.245 ( 1.943 -6.421 -1.893) 6.970 6.464 ( -0.140 -4.576 3.139) 5.551 6.552 ( 1.140 -3.858 -7.127) 8.184 6.586 ( -2.384 -2.364 0.955) 3.491 6.912 ( 3.778 1.742 -8.329) 9.310 7.008 ( 0.150 1.036 0.793) 1.314 7.085 ( 0.646 -2.541 4.443) 5.158 7.566 ( 8.132 -2.247 -0.253) 8.440 7.629 ( 6.618 1.746 3.218) 7.563 7.847 ( 4.183 2.558 2.423) 5.469 7.995 ( 0.942 -3.360 1.915) 3.981 8.121 ( -7.404 4.150 4.591) 9.650 8.156 ( -4.319 -1.242 -1.045) 4.614 8.321 ( 0.979 4.300 1.601) 4.691 8.393 ( -3.195 0.841 5.127) 6.099 8.556 ( -5.047 -3.438 -0.279) 6.113 8.850 ( 4.517 -0.035 -5.109) 6.819 8.919 ( -3.322 0.859 -1.951) 3.947 9.052 ( -3.926 1.136 -1.320) 4.294 9.734 ( -3.329 -0.774 2.636) 4.316 9.962 ( -0.444 -2.932 3.481) 4.572 10.573 ( 0.076 1.453 -4.881) 5.093 10.611 ( -4.176 3.605 -1.692) 5.770 10.762 ( 13.451 9.952 -20.888) 26.764 11.103 ( -5.370 4.666 1.986) 7.386 11.715 ( 3.279 -3.790 8.650) 9.997 11.870 ( 1.575 4.028 -1.034) 4.447 12.095 ( -10.977 -8.738 14.672) 20.301 12.802 ( 0.496 -0.308 0.944) 1.110 13.693 ( -1.042 0.824 -1.264) 1.834 13.911 ( 4.045 -6.063 -3.593) 8.126 14.389 ( 0.227 -1.865 2.079) 2.802 15.505 ( 17.211 -0.779 12.388) 21.220 15.828 ( -21.485 -3.997 -6.303) 22.745 16.446 ( -5.697 5.925 1.708) 8.396 18.299 ( -12.035 -6.295 15.058) 20.278 19.310 ( 6.397 -3.424 -18.392) 19.771 19.896 ( 4.497 4.848 15.972) 17.287 21.284 ( 3.553 1.424 -9.865) 10.582 22.505 ( -0.934 0.221 0.910) 1.322 22.558 ( 0.781 0.972 -1.419) 1.889 ======================= Grid point 133 (57/141) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 5.015 27.493 -0.347) 27.949 1.179 ( -7.743 20.671 10.028) 24.245 1.982 ( 3.186 29.398 26.664) 39.817 2.163 ( -4.061 -3.170 -23.494) 24.052 2.265 ( 5.567 -2.194 -18.726) 19.659 2.789 ( -3.886 10.249 5.316) 12.182 3.203 ( 0.944 -0.411 9.613) 9.668 3.488 ( -0.999 0.142 3.295) 3.446 3.679 ( 0.742 5.783 -7.116) 9.200 3.893 ( 4.059 1.078 3.014) 5.169 4.104 ( -9.811 6.177 -2.902) 11.952 4.238 ( -0.583 2.291 2.399) 3.368 4.369 ( 12.162 1.090 5.662) 13.460 4.611 ( -4.544 -1.845 -7.506) 8.966 4.760 ( 0.577 3.896 2.491) 4.660 4.808 ( 2.826 1.409 1.980) 3.727 5.043 ( -2.011 -3.766 -2.527) 4.961 5.167 ( -2.642 4.550 3.975) 6.594 5.323 ( -5.287 -3.785 -1.114) 6.597 5.521 ( 0.127 -1.767 -7.895) 8.091 5.647 ( 3.756 -1.976 0.463) 4.269 5.679 ( 3.092 -4.221 -2.798) 5.933 5.782 ( -1.289 -13.510 2.048) 13.725 5.973 ( -1.671 -6.313 -6.486) 9.204 6.144 ( -0.163 -6.795 -7.694) 10.267 6.350 ( 2.975 -7.339 1.086) 7.993 6.505 ( -3.925 -5.487 3.596) 7.645 6.520 ( -4.658 0.326 0.434) 4.689 6.578 ( 0.264 -3.592 -10.348) 10.957 6.957 ( 5.263 0.213 -0.996) 5.361 7.019 ( 1.361 0.445 3.571) 3.848 7.144 ( 0.419 -4.870 1.598) 5.143 7.651 ( 1.098 1.555 -0.331) 1.932 7.714 ( 0.788 -3.166 1.934) 3.792 7.819 ( -5.924 4.526 1.987) 7.715 8.014 ( 4.307 1.327 1.646) 4.798 8.085 ( -7.853 -1.812 1.342) 8.170 8.114 ( 6.153 2.279 -1.709) 6.780 8.279 ( -0.209 6.696 1.843) 6.948 8.352 ( -3.653 0.532 7.838) 8.664 8.571 ( 0.693 -6.810 -0.708) 6.882 8.866 ( -0.144 0.985 1.412) 1.727 8.924 ( 6.847 0.287 -5.166) 8.582 9.030 ( 1.510 -0.669 -0.530) 1.734 9.709 ( -1.157 0.837 4.129) 4.368 9.985 ( -2.082 -1.095 2.880) 3.719 10.231 ( -12.698 5.400 -17.806) 22.527 10.545 ( -2.901 -0.930 -7.920) 8.485 10.978 ( -0.286 5.129 -0.783) 5.197 11.016 ( 20.308 6.589 -5.676) 22.091 11.787 ( -6.735 -2.484 3.140) 7.835 11.858 ( 3.098 1.184 0.701) 3.389 12.264 ( 8.209 -12.271 27.896) 31.561 12.794 ( -2.075 -0.300 -0.541) 2.165 13.686 ( -0.016 -0.085 1.305) 1.308 13.992 ( 0.538 -5.724 -4.551) 7.332 14.695 ( 27.119 -13.011 21.500) 36.973 15.486 ( -21.695 -4.289 -6.310) 22.997 15.843 ( 17.841 -1.100 9.777) 20.374 16.295 ( -5.071 6.749 -2.938) 8.939 18.233 ( -14.101 -5.993 18.208) 23.797 19.317 ( 2.556 0.443 -11.652) 11.937 20.012 ( 2.898 0.078 13.914) 14.212 21.198 ( -3.674 5.264 -18.297) 19.390 22.483 ( -1.323 0.907 -0.003) 1.605 22.554 ( 0.908 1.515 -1.245) 2.160 ======================= Grid point 134 (58/141) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 12.853 13.770 9.848) 21.255 1.191 ( 18.061 15.175 15.946) 28.474 1.986 ( 14.508 23.567 26.216) 38.121 2.034 ( -1.968 -6.430 -30.183) 30.923 2.308 ( 9.095 5.692 -13.783) 17.467 2.747 ( 5.390 1.070 5.667) 7.893 3.251 ( 2.421 0.467 2.225) 3.321 3.526 ( 4.313 3.155 -5.110) 7.394 3.627 ( -1.840 -0.779 0.702) 2.118 3.887 ( -3.442 4.660 -0.901) 5.863 4.002 ( 5.975 -0.459 5.150) 7.901 4.263 ( 3.592 2.343 6.381) 7.688 4.472 ( -4.831 4.319 -9.363) 11.387 4.580 ( 11.144 1.521 4.830) 12.241 4.761 ( 2.657 3.726 0.861) 4.656 4.796 ( -4.094 5.262 4.556) 8.075 4.994 ( 0.586 2.938 -5.202) 6.003 5.093 ( -3.803 1.964 -1.091) 4.417 5.278 ( -4.940 -5.844 1.138) 7.736 5.484 ( -1.459 -0.916 -6.087) 6.326 5.685 ( -1.188 -4.418 0.952) 4.673 5.754 ( 0.502 -4.336 -1.258) 4.542 5.880 ( -1.243 -5.873 -0.821) 6.059 5.991 ( -2.352 -10.682 -6.115) 12.531 6.209 ( 3.316 -3.905 -2.594) 5.743 6.392 ( -3.737 2.238 -3.166) 5.384 6.442 ( -3.438 -5.672 1.845) 6.884 6.500 ( -4.708 -9.648 -3.634) 11.333 6.622 ( 5.238 -0.466 -1.336) 5.426 6.983 ( -0.960 2.388 4.513) 5.195 7.084 ( -0.589 -4.102 6.445) 7.663 7.202 ( 2.555 -0.386 -1.402) 2.940 7.574 ( -7.685 1.819 -1.977) 8.141 7.677 ( -3.806 1.884 3.512) 5.511 7.778 ( -1.336 -5.371 -2.068) 5.908 7.940 ( -7.269 1.437 -2.164) 7.719 8.056 ( 0.234 6.943 3.360) 7.717 8.171 ( 3.345 3.802 0.504) 5.089 8.266 ( 3.176 1.716 1.273) 3.828 8.352 ( 5.533 2.092 2.908) 6.591 8.633 ( -2.554 -7.008 -1.963) 7.713 8.900 ( 4.748 0.966 -0.590) 4.882 9.006 ( 6.316 1.076 -1.463) 6.572 9.115 ( 5.476 -4.739 -0.777) 7.284 9.704 ( -1.365 3.366 3.053) 4.745 9.926 ( -0.401 0.514 -2.935) 3.006 10.086 ( -2.003 -1.287 3.458) 4.199 10.472 ( -3.359 -2.882 -8.393) 9.488 10.894 ( -0.244 4.754 -3.727) 6.045 11.227 ( 13.601 3.552 -7.045) 15.724 11.680 ( -9.087 0.159 5.352) 10.548 11.925 ( 5.614 0.420 2.627) 6.213 12.656 ( 7.533 -12.569 10.727) 18.161 12.738 ( -4.556 -0.944 -1.650) 4.937 13.686 ( -1.663 -0.649 2.314) 2.922 13.982 ( -5.136 -3.757 -4.737) 7.933 15.114 ( -19.492 -5.191 -7.128) 21.394 15.671 ( 28.712 -29.926 11.821) 43.124 16.120 ( -3.417 4.978 -5.806) 8.376 16.355 ( 37.064 -20.302 14.277) 44.607 18.136 ( -15.584 -3.570 19.913) 25.537 19.299 ( 1.891 1.326 -4.776) 5.305 20.060 ( -6.983 0.721 10.399) 12.547 20.876 ( -6.858 19.229 -19.626) 28.319 22.448 ( -1.074 1.870 -0.335) 2.182 22.548 ( 0.982 1.738 -0.580) 2.079 ======================= Grid point 138 (59/141) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -2.556 -0.000 -1.073) 2.772 2.526 ( 2.451 0.000 -10.802) 11.077 2.682 ( 7.232 0.000 4.616) 8.579 2.888 ( 13.518 0.000 3.809) 14.044 3.041 ( 14.981 0.000 -4.290) 15.583 3.268 ( -11.873 -0.000 0.057) 11.873 3.374 ( 5.554 0.000 -6.345) 8.433 3.385 ( -3.734 -0.000 7.412) 8.299 3.643 ( -3.294 -0.000 -0.318) 3.310 3.805 ( 3.703 0.000 0.820) 3.793 3.965 ( -2.022 -0.000 3.637) 4.161 4.206 ( 2.235 0.000 -0.844) 2.389 4.228 ( -8.276 -0.000 1.145) 8.355 4.577 ( 0.925 0.000 -5.594) 5.670 4.817 ( -5.426 -0.000 -2.437) 5.948 4.931 ( -10.427 -0.000 -3.095) 10.877 5.078 ( -15.604 -0.000 10.272) 18.681 5.197 ( -4.155 -0.000 4.428) 6.073 5.246 ( 3.392 0.000 -10.412) 10.951 5.397 ( 2.668 0.000 15.136) 15.369 5.461 ( 3.526 0.000 8.163) 8.892 5.812 ( -9.200 -0.000 -11.721) 14.900 5.852 ( 3.226 0.000 -5.223) 6.139 5.921 ( -3.034 -0.000 -2.734) 4.084 6.012 ( 0.233 0.000 -4.255) 4.261 6.264 ( 2.751 0.000 2.064) 3.439 6.311 ( -4.953 -0.000 5.026) 7.056 6.530 ( -0.217 -0.000 3.343) 3.350 6.634 ( -2.421 -0.000 8.937) 9.259 6.740 ( -2.263 -0.000 -7.298) 7.641 6.825 ( 5.415 0.000 -11.539) 12.747 6.963 ( 3.912 0.000 3.674) 5.367 7.334 ( -0.679 -0.000 -0.151) 0.695 7.539 ( 0.676 0.000 -2.423) 2.515 7.721 ( 5.271 0.000 -2.817) 5.977 7.946 ( -6.000 -0.000 5.848) 8.378 8.042 ( 1.517 0.000 -1.819) 2.369 8.184 ( -1.736 -0.000 2.443) 2.997 8.234 ( 6.617 0.000 1.017) 6.695 8.398 ( 5.369 0.000 0.810) 5.430 8.861 ( -6.533 -0.000 10.845) 12.661 8.952 ( -1.951 -0.000 -10.998) 11.170 9.179 ( -1.722 -0.000 -7.774) 7.963 9.566 ( -5.767 -0.000 -1.062) 5.864 9.751 ( -1.902 -0.000 0.847) 2.083 9.772 ( -0.473 -0.000 6.049) 6.068 10.285 ( 1.443 0.000 3.450) 3.740 10.369 ( 0.435 0.000 11.486) 11.494 11.197 ( -0.929 -0.000 -9.968) 10.012 11.380 ( 7.852 0.000 6.727) 10.339 11.700 ( 5.977 0.000 7.314) 9.445 11.773 ( -2.337 -0.000 -19.372) 19.513 12.270 ( -9.821 -0.000 -3.488) 10.422 12.777 ( -2.901 -0.000 4.780) 5.592 13.696 ( 0.342 0.000 -3.128) 3.147 13.738 ( 2.269 0.000 6.072) 6.482 14.494 ( 9.436 0.000 8.482) 12.688 15.163 ( -15.653 -0.000 -19.642) 25.116 16.469 ( -2.524 -0.000 -8.910) 9.260 16.930 ( -15.284 -0.000 19.388) 24.688 18.552 ( -14.061 -0.000 8.089) 16.221 18.964 ( 12.161 0.000 -23.135) 26.136 19.770 ( 4.740 0.000 9.307) 10.444 21.065 ( 7.755 0.000 2.108) 8.036 22.456 ( 1.597 0.000 -0.877) 1.822 22.547 ( -0.224 -0.000 0.758) 0.790 ======================= Grid point 139 (60/141) ======================= q-point: (-0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -7.150 4.537 0.063) 8.469 2.480 ( -1.657 2.969 -6.716) 7.527 2.666 ( -3.982 10.103 6.432) 12.621 2.893 ( -12.880 4.940 -0.829) 13.820 3.062 ( -8.709 1.102 5.832) 10.540 3.184 ( -0.072 1.998 -2.381) 3.109 3.414 ( 8.900 4.135 -2.577) 10.146 3.484 ( 9.752 2.784 4.177) 10.968 3.597 ( -0.620 4.512 1.851) 4.916 3.858 ( 4.124 0.566 -0.690) 4.219 4.080 ( 5.069 -10.073 -5.431) 12.517 4.164 ( -1.987 -2.533 2.815) 4.277 4.306 ( 6.783 -8.460 2.917) 11.228 4.575 ( 1.704 0.113 -4.845) 5.138 4.674 ( -8.414 0.445 -4.799) 9.697 4.796 ( -5.627 -3.286 -0.943) 6.584 4.944 ( -7.572 0.040 13.116) 15.145 5.090 ( -7.492 6.072 -4.506) 10.645 5.223 ( -1.812 -5.102 -7.975) 9.639 5.481 ( -0.517 -0.210 10.900) 10.914 5.536 ( -0.779 -3.082 8.573) 9.143 5.630 ( -7.122 -4.868 -7.672) 11.545 5.750 ( -4.458 8.320 -1.559) 9.567 5.907 ( -4.385 -7.650 -5.876) 10.596 6.074 ( 6.225 -1.051 -6.384) 8.979 6.150 ( -4.646 9.077 0.524) 10.210 6.329 ( -4.627 -6.311 2.778) 8.304 6.498 ( -6.051 0.758 7.938) 10.011 6.621 ( -2.126 1.299 0.129) 2.494 6.744 ( 6.114 -1.947 -5.180) 8.246 6.924 ( 10.845 0.323 -5.593) 12.207 7.041 ( 3.054 0.274 2.686) 4.077 7.340 ( 1.132 -1.013 -1.104) 1.878 7.543 ( 3.409 2.710 -1.222) 4.523 7.801 ( 5.660 -0.856 -4.002) 6.985 7.880 ( -5.740 -0.303 5.410) 7.894 8.059 ( 0.488 -2.630 -1.222) 2.940 8.187 ( -0.799 -2.509 2.127) 3.385 8.351 ( 7.126 1.147 0.699) 7.251 8.456 ( 2.218 2.328 1.161) 3.419 8.766 ( -10.469 0.420 9.748) 14.311 8.865 ( 0.311 2.776 -7.175) 7.700 9.113 ( -5.440 -1.880 -7.371) 9.352 9.418 ( -10.278 0.772 -1.244) 10.382 9.728 ( -1.171 -1.039 -0.414) 1.619 9.813 ( 0.182 -1.941 4.512) 4.915 10.361 ( 6.863 3.269 8.418) 11.342 10.480 ( 4.804 -1.253 13.433) 14.321 11.127 ( -0.945 -0.137 -14.149) 14.181 11.386 ( -6.033 1.532 -1.902) 6.508 11.735 ( 6.774 5.409 -2.777) 9.103 11.847 ( 4.562 -3.890 2.222) 6.394 12.080 ( -11.490 -2.360 -4.200) 12.459 12.763 ( -1.263 -0.017 3.514) 3.734 13.686 ( 0.228 -0.903 -2.936) 3.080 13.777 ( -0.103 0.024 3.262) 3.263 14.759 ( 14.297 -0.542 11.793) 18.541 14.806 ( -15.651 -0.578 -16.028) 22.409 16.334 ( -9.941 -1.257 -8.871) 13.383 16.792 ( -10.122 2.125 11.553) 15.506 18.393 ( -11.269 -0.814 8.609) 14.204 19.046 ( 11.096 -0.568 -20.284) 23.128 19.874 ( 3.366 2.170 11.668) 12.336 21.188 ( 7.065 0.208 -0.861) 7.120 22.480 ( 1.474 -0.383 -0.742) 1.694 22.551 ( -0.113 -0.540 0.757) 0.937 ======================= Grid point 140 (61/141) ======================= q-point: (-0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -9.169 10.425 0.578) 13.896 2.309 ( -8.767 13.223 1.552) 15.941 2.494 ( -9.486 2.472 -7.204) 12.165 2.561 ( -20.256 -0.769 0.554) 20.278 3.000 ( -2.795 8.196 5.576) 10.299 3.044 ( -4.429 8.669 7.272) 12.151 3.379 ( -1.699 16.710 2.431) 16.971 3.540 ( 6.150 0.571 1.705) 6.408 3.746 ( 12.978 2.688 2.321) 13.455 3.894 ( -1.376 -1.266 -1.755) 2.565 4.166 ( -2.051 -6.508 -5.785) 8.946 4.209 ( 8.148 4.024 1.307) 9.180 4.469 ( 0.149 -1.000 -6.645) 6.722 4.594 ( 1.738 -1.298 -1.123) 2.442 4.605 ( 1.027 -6.771 1.136) 6.942 4.814 ( -2.489 -5.142 -4.219) 7.102 4.900 ( -0.809 -0.640 1.202) 1.584 4.981 ( 2.028 -5.770 10.112) 11.818 5.232 ( -1.378 -8.811 -7.967) 11.959 5.454 ( -5.620 7.227 4.913) 10.390 5.556 ( -3.697 -2.795 3.752) 5.963 5.577 ( -4.326 -5.021 -0.798) 6.676 5.647 ( -1.224 0.289 -0.081) 1.260 5.825 ( -9.135 -3.767 -3.639) 10.530 6.025 ( -2.331 2.169 -1.114) 3.374 6.136 ( 3.608 -0.872 -6.346) 7.352 6.309 ( -4.822 -4.549 2.661) 7.143 6.454 ( -6.688 -6.510 6.525) 11.388 6.583 ( 0.396 1.468 -4.072) 4.347 6.844 ( 5.686 -2.280 -5.232) 8.056 7.041 ( 5.562 2.083 -2.881) 6.601 7.085 ( 3.568 1.444 0.607) 3.897 7.382 ( 4.633 -0.578 -1.489) 4.901 7.600 ( 6.696 2.463 1.669) 7.327 7.827 ( -4.243 -2.363 2.844) 5.628 7.871 ( 4.151 1.355 0.121) 4.368 8.088 ( -1.516 -4.782 -0.851) 5.088 8.227 ( 0.821 -4.028 0.357) 4.127 8.403 ( -0.077 4.117 1.384) 4.344 8.453 ( 1.616 3.255 3.134) 4.799 8.638 ( -9.542 0.139 5.016) 10.781 8.846 ( 2.731 1.227 -4.351) 5.282 8.981 ( -8.072 -1.404 -3.559) 8.933 9.240 ( -8.366 2.288 -2.645) 9.068 9.725 ( -0.956 -1.389 -0.197) 1.698 9.854 ( -0.448 -3.050 3.495) 4.660 10.523 ( 12.037 5.408 12.037) 17.861 10.627 ( 5.001 0.343 6.479) 8.192 11.019 ( -2.318 0.904 -20.694) 20.843 11.258 ( -5.205 1.221 -1.357) 5.515 11.692 ( -6.287 2.395 0.370) 6.738 11.934 ( 0.411 -1.920 2.115) 2.886 11.988 ( -1.692 -1.789 2.744) 3.687 12.771 ( 0.316 -0.397 1.671) 1.746 13.697 ( 0.206 -2.616 -2.595) 3.691 13.779 ( 0.136 0.173 0.562) 0.604 14.490 ( -12.471 -0.471 -10.858) 16.543 15.115 ( 17.822 -1.400 14.374) 22.939 16.096 ( -16.141 -1.605 -8.488) 18.308 16.672 ( -6.789 3.585 5.466) 9.425 18.290 ( -8.906 -1.834 9.292) 13.001 19.136 ( 9.995 -2.903 -19.826) 22.392 19.948 ( 2.147 4.441 14.863) 15.660 21.272 ( 5.474 0.678 -4.033) 6.833 22.500 ( 0.839 -0.260 -0.006) 0.878 22.558 ( 0.058 -0.582 0.051) 0.587 ======================= Grid point 141 (62/141) ======================= q-point: (-0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -9.397 14.872 2.307) 17.743 1.993 ( -12.153 17.753 3.654) 21.822 2.247 ( -12.577 -2.567 -7.124) 14.681 2.350 ( -3.913 2.507 -14.685) 15.403 2.781 ( 0.004 27.677 7.269) 28.616 3.055 ( -5.104 -3.870 14.353) 15.718 3.225 ( -0.308 14.273 6.574) 15.717 3.587 ( 1.860 4.669 2.283) 5.521 3.837 ( -0.302 2.585 -2.612) 3.687 3.873 ( 1.183 0.754 0.879) 1.655 4.174 ( 3.520 -2.091 -2.946) 5.044 4.309 ( 8.141 4.951 1.617) 9.664 4.388 ( -2.589 1.170 -10.482) 10.860 4.596 ( -0.501 1.720 1.159) 2.134 4.728 ( 2.593 -7.008 1.686) 7.661 4.765 ( -0.882 -1.587 -1.098) 2.122 5.056 ( 4.743 -7.528 4.623) 10.027 5.111 ( -5.078 2.555 3.910) 6.899 5.266 ( 2.618 -7.759 -2.922) 8.695 5.343 ( -0.285 -4.069 1.896) 4.498 5.536 ( -2.401 -1.212 -3.846) 4.693 5.592 ( -0.652 -4.788 2.875) 5.623 5.605 ( -2.226 -1.236 -2.458) 3.539 5.737 ( -6.727 -8.173 -1.514) 10.693 6.006 ( -0.445 -2.932 -1.318) 3.245 6.172 ( 3.034 -1.941 -4.526) 5.784 6.310 ( -4.809 -8.467 2.334) 10.013 6.459 ( -5.363 -7.731 4.213) 10.309 6.569 ( 2.513 0.505 -7.098) 7.546 6.905 ( 4.524 -1.588 -10.693) 11.719 7.051 ( 1.221 2.930 0.876) 3.293 7.104 ( 0.762 3.162 -0.178) 3.257 7.503 ( 7.663 -2.956 1.201) 8.300 7.697 ( 6.240 2.962 2.859) 7.476 7.823 ( -3.557 -6.941 4.122) 8.822 7.923 ( 3.001 1.791 2.877) 4.527 8.087 ( -1.873 -2.976 -1.022) 3.662 8.243 ( -3.322 1.587 -1.646) 4.033 8.347 ( -0.621 2.454 3.593) 4.395 8.445 ( -2.418 2.912 5.302) 6.514 8.525 ( -4.822 -0.399 -1.104) 4.963 8.849 ( -0.729 -0.125 -1.492) 1.665 8.914 ( 0.009 -1.525 -0.740) 1.695 9.100 ( -3.323 3.490 -4.050) 6.295 9.719 ( -1.176 -0.522 1.611) 2.061 9.896 ( -0.368 -3.501 3.674) 5.088 10.597 ( -4.870 1.402 -7.271) 8.863 10.697 ( -1.402 4.653 0.553) 4.891 10.902 ( 13.071 4.451 -17.934) 22.634 11.184 ( -3.608 3.377 3.005) 5.784 11.633 ( -0.969 -4.283 5.709) 7.202 11.904 ( -8.113 -2.627 6.768) 10.887 12.030 ( 3.413 3.284 7.023) 8.471 12.788 ( 0.122 -0.965 -0.121) 0.980 13.700 ( -0.430 -0.397 -1.274) 1.402 13.810 ( 2.032 -3.637 -2.135) 4.681 14.355 ( -1.311 -1.478 0.578) 2.058 15.465 ( 14.023 -2.724 10.376) 17.656 15.793 ( -16.546 -0.108 -5.671) 17.491 16.554 ( -5.064 4.687 0.738) 6.939 18.226 ( -7.724 -1.964 10.389) 13.094 19.220 ( 7.570 -4.827 -20.154) 22.064 20.006 ( 1.405 5.429 18.161) 19.007 21.305 ( 2.830 0.776 -7.932) 8.457 22.508 ( -0.222 0.189 0.740) 0.795 22.565 ( 0.439 -0.307 -0.851) 1.006 ======================= Grid point 142 (63/141) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 2.270 16.392 5.481) 17.433 1.638 ( -5.716 24.997 -0.907) 25.658 2.137 ( -0.821 -1.012 -8.642) 8.739 2.221 ( 3.766 1.894 -22.348) 22.742 2.581 ( 2.898 28.632 17.305) 33.580 2.987 ( -7.274 6.513 5.624) 11.268 3.204 ( 0.810 3.045 14.700) 15.034 3.552 ( -0.155 5.730 1.760) 5.997 3.786 ( 2.368 4.706 -5.097) 7.330 3.893 ( 1.785 -0.509 1.603) 2.453 4.212 ( -6.720 3.939 -5.529) 9.552 4.249 ( 0.417 -0.361 -2.103) 2.174 4.445 ( 11.030 3.317 0.042) 11.518 4.549 ( -3.490 -0.188 -0.409) 3.519 4.781 ( 0.382 -1.618 1.424) 2.189 4.841 ( 4.631 -1.193 1.487) 5.008 4.971 ( -5.299 1.098 4.278) 6.898 5.164 ( -2.344 -6.452 3.143) 7.550 5.310 ( -2.086 1.570 -0.077) 2.612 5.457 ( -1.815 -8.123 -0.360) 8.331 5.497 ( -1.028 -7.429 -3.418) 8.242 5.601 ( 0.908 -2.407 -1.403) 2.930 5.647 ( -0.404 -2.834 -1.690) 3.324 5.800 ( 4.620 -10.937 -1.682) 11.992 6.043 ( 2.853 -2.966 -6.620) 7.795 6.234 ( 2.876 -4.450 -0.185) 5.302 6.323 ( -6.587 -10.362 -1.026) 12.321 6.459 ( -5.228 -5.728 2.368) 8.109 6.583 ( 4.339 0.697 -8.003) 9.130 6.944 ( 6.085 -1.963 -11.107) 12.816 7.045 ( -0.715 2.152 2.972) 3.738 7.078 ( -0.840 -0.241 2.280) 2.442 7.629 ( 1.616 -3.161 2.084) 4.116 7.733 ( 0.339 4.160 2.218) 4.727 7.886 ( -7.801 -7.218 3.861) 11.308 7.911 ( 0.546 -0.625 4.181) 4.263 8.121 ( -2.024 3.811 0.398) 4.334 8.142 ( 6.471 0.921 -1.451) 6.695 8.356 ( 0.037 0.543 2.281) 2.345 8.387 ( -3.612 3.997 7.591) 9.308 8.492 ( 0.116 -1.849 -2.854) 3.403 8.857 ( 1.207 -1.458 1.479) 2.402 8.944 ( 3.149 0.393 -2.704) 4.169 9.035 ( 0.878 1.802 -3.255) 3.823 9.723 ( 0.740 0.777 3.494) 3.655 9.941 ( -0.999 -3.100 4.574) 5.615 10.326 ( -13.605 4.195 -18.203) 23.110 10.544 ( -5.852 0.856 -10.472) 12.026 11.082 ( 0.317 5.143 -0.619) 5.190 11.127 ( 16.052 4.381 -5.732) 17.599 11.732 ( -1.841 -2.850 5.798) 6.718 11.867 ( 0.946 -1.379 5.913) 6.145 12.126 ( 4.670 -1.595 19.056) 19.684 12.779 ( -2.315 -1.289 -1.990) 3.314 13.690 ( -0.302 0.349 -0.261) 0.530 13.872 ( 0.704 -5.949 -3.286) 6.832 14.524 ( 15.087 -5.660 14.238) 21.503 15.385 ( -21.119 -5.184 -10.359) 24.087 15.861 ( 17.331 2.104 12.479) 21.460 16.420 ( -4.671 5.746 -3.562) 8.217 18.175 ( -7.335 -1.091 11.367) 13.572 19.270 ( 4.451 -4.626 -18.442) 19.528 20.062 ( 0.064 4.404 19.887) 20.369 21.258 ( -1.313 1.789 -12.759) 12.950 22.497 ( -0.978 0.614 0.595) 1.299 22.571 ( 0.764 0.138 -1.015) 1.278 ======================= Grid point 143 (64/141) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 5.235 26.237 -1.340) 26.788 1.498 ( 15.764 15.564 10.891) 24.685 2.011 ( -0.618 5.057 -24.162) 24.693 2.309 ( 13.921 2.569 -10.093) 17.386 2.519 ( 11.275 21.340 17.974) 30.093 2.830 ( -4.383 7.294 5.668) 10.224 3.268 ( 0.991 0.821 10.722) 10.799 3.543 ( 3.755 1.881 4.299) 6.010 3.743 ( -0.082 8.953 -9.375) 12.963 3.937 ( -3.139 -1.012 -0.263) 3.309 4.009 ( 0.667 2.835 0.975) 3.071 4.284 ( 3.155 0.297 2.066) 3.783 4.478 ( -3.839 -3.066 -7.606) 9.055 4.618 ( 10.469 2.348 4.698) 11.713 4.806 ( 1.435 0.032 -3.122) 3.436 4.867 ( -2.236 3.046 7.241) 8.168 4.991 ( 2.314 -2.232 1.506) 3.550 5.146 ( -9.498 -6.259 -0.548) 11.388 5.227 ( 0.924 7.433 2.082) 7.774 5.453 ( -2.497 -4.009 -2.801) 5.491 5.540 ( -4.979 -12.108 -3.708) 13.607 5.631 ( -2.994 -3.081 0.985) 4.407 5.706 ( 3.066 -8.306 -0.897) 8.899 5.940 ( 4.204 1.140 -6.801) 8.076 6.102 ( 6.490 -5.534 -5.406) 10.098 6.273 ( -8.023 -10.142 -7.591) 14.995 6.349 ( 2.512 -4.346 3.533) 6.138 6.426 ( -3.475 -2.188 -1.697) 4.443 6.619 ( 4.553 0.571 -2.625) 5.287 6.994 ( -2.693 -0.215 4.990) 5.675 7.031 ( -0.277 -1.744 1.487) 2.308 7.150 ( 7.108 -4.896 -3.829) 9.442 7.615 ( -6.561 1.464 0.361) 6.732 7.675 ( -3.231 -1.698 1.599) 3.985 7.761 ( -6.484 4.083 1.600) 7.828 7.920 ( -7.813 -3.555 1.911) 8.794 8.140 ( 6.381 1.075 0.073) 6.472 8.246 ( 4.087 3.395 1.028) 5.412 8.321 ( -3.887 4.376 7.196) 9.275 8.370 ( 3.905 -0.126 1.567) 4.210 8.518 ( -0.234 -4.022 -3.028) 5.040 8.919 ( 4.979 0.708 0.888) 5.107 9.003 ( 6.613 -1.675 -4.012) 7.915 9.054 ( 2.795 -0.946 -0.474) 2.989 9.762 ( 2.292 2.327 4.723) 5.743 9.936 ( -3.846 -0.028 -0.609) 3.894 10.076 ( -3.696 0.881 -3.705) 5.307 10.414 ( -5.175 -2.822 -10.183) 11.766 11.001 ( -0.021 5.859 -3.704) 6.932 11.304 ( 12.185 3.883 -6.520) 14.355 11.683 ( -6.676 0.142 6.309) 9.187 11.944 ( 5.052 1.454 1.907) 5.592 12.415 ( 8.817 -10.673 18.105) 22.791 12.719 ( -5.099 -1.423 -3.828) 6.533 13.679 ( -0.901 -0.028 0.215) 0.927 13.892 ( -3.346 -5.083 -4.061) 7.316 14.993 ( -6.340 -7.484 0.332) 9.814 15.158 ( 15.303 -17.192 11.583) 25.767 16.198 ( 16.814 0.741 9.018) 19.094 16.262 ( -1.724 4.764 -5.425) 7.423 18.119 ( -6.628 0.606 10.805) 12.690 19.281 ( 2.148 -3.317 -13.782) 14.337 20.093 ( -4.318 3.363 18.912) 19.688 21.099 ( -4.607 6.073 -16.094) 17.808 22.474 ( -0.935 0.948 0.039) 1.332 22.575 ( 0.829 0.784 -0.624) 1.301 ======================= Grid point 144 (65/141) ======================= q-point: (-0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 13.779 13.360 5.244) 19.896 1.695 ( 15.390 12.656 9.482) 22.067 1.844 ( 0.800 2.260 -18.402) 18.558 2.401 ( 10.106 8.996 -7.784) 15.610 2.640 ( 16.645 16.697 14.178) 27.511 2.909 ( 14.011 -2.376 2.480) 14.426 3.301 ( -1.936 1.229 3.043) 3.810 3.502 ( -7.092 4.370 -6.133) 10.344 3.673 ( 8.984 1.801 1.731) 9.325 3.930 ( 2.516 0.569 0.169) 2.585 4.123 ( 6.766 -1.603 4.337) 8.195 4.379 ( 5.140 0.664 -6.638) 8.422 4.394 ( -0.242 0.872 2.968) 3.103 4.708 ( -5.181 4.667 0.453) 6.987 4.790 ( 0.518 -1.487 4.108) 4.399 4.851 ( 2.293 2.485 2.348) 4.117 4.975 ( -2.937 0.810 -1.768) 3.522 5.112 ( 4.199 0.747 -2.160) 4.781 5.217 ( 1.299 3.463 4.358) 5.716 5.443 ( -0.546 -1.274 -1.803) 2.274 5.548 ( -6.692 -12.279 -5.392) 14.988 5.618 ( -4.041 -5.114 1.115) 6.613 5.812 ( -1.718 -10.550 -3.825) 11.353 5.917 ( 2.728 2.056 -2.715) 4.364 6.135 ( -6.112 -2.284 -4.734) 8.061 6.297 ( -2.017 -10.001 0.254) 10.205 6.402 ( 3.524 0.073 -7.520) 8.305 6.429 ( 4.238 -0.811 1.437) 4.548 6.686 ( 3.194 -0.871 1.091) 3.486 6.938 ( -7.553 -1.601 4.120) 8.751 7.069 ( 0.592 -2.403 4.519) 5.152 7.259 ( 3.679 1.420 -2.133) 4.483 7.454 ( -9.884 3.631 1.690) 10.664 7.622 ( -7.240 3.598 0.738) 8.118 7.714 ( 2.385 -7.662 -2.922) 8.540 7.836 ( -4.437 -3.214 -0.291) 5.486 8.125 ( -4.773 10.490 3.894) 12.165 8.257 ( -2.271 -1.372 2.970) 3.983 8.266 ( 3.192 3.207 0.976) 4.629 8.496 ( 5.727 -1.073 1.290) 5.968 8.508 ( -2.815 -4.939 -4.928) 7.524 8.999 ( 5.113 1.945 0.362) 5.483 9.109 ( 7.979 -0.750 -2.508) 8.398 9.185 ( 10.312 -4.506 -0.600) 11.269 9.730 ( -1.568 5.944 1.210) 6.266 9.927 ( 0.766 -2.019 0.446) 2.205 10.094 ( 2.172 -1.128 7.152) 7.559 10.338 ( -3.692 -4.532 -7.789) 9.738 10.932 ( 1.283 5.392 -6.328) 8.412 11.381 ( 6.032 3.151 -4.662) 8.249 11.593 ( -7.022 1.996 5.727) 9.279 12.052 ( 8.088 -0.144 3.754) 8.918 12.608 ( -7.610 -1.360 -5.079) 9.249 12.686 ( 3.527 -9.349 8.690) 13.242 13.667 ( -0.839 -0.423 0.004) 0.940 13.816 ( -7.615 -2.209 -5.107) 9.431 14.757 ( -13.636 -3.743 -8.804) 16.657 15.857 ( 20.108 -21.319 12.476) 31.851 16.060 ( -5.053 5.732 -11.895) 14.138 16.694 ( 20.625 -18.533 17.852) 32.978 18.066 ( -2.082 2.204 4.848) 5.718 19.284 ( 1.025 -3.347 -7.459) 8.240 19.991 ( -12.428 7.565 12.065) 18.901 20.893 ( -0.895 9.944 -10.807) 14.713 22.452 ( -0.310 1.384 -0.231) 1.437 22.576 ( 0.756 1.291 -0.110) 1.500 ======================= Grid point 149 (66/141) ======================= q-point: ( 0.40 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -8.638 -0.000 0.829) 8.677 2.436 ( -1.564 -0.000 -5.552) 5.768 2.534 ( -17.564 -0.000 3.582) 17.926 2.548 ( -24.476 -0.000 -2.220) 24.576 3.006 ( -5.864 -0.000 11.147) 12.595 3.210 ( 1.568 0.000 1.189) 1.968 3.497 ( -0.181 -0.000 7.578) 7.580 3.658 ( 3.121 0.000 -0.125) 3.124 3.815 ( 11.990 0.000 0.322) 11.994 3.905 ( -0.590 -0.000 1.745) 1.842 3.988 ( 8.499 0.000 -10.020) 13.139 4.285 ( 8.555 0.000 -1.141) 8.631 4.402 ( 9.504 0.000 5.104) 10.788 4.496 ( -4.846 -0.000 -4.506) 6.617 4.642 ( 4.630 0.000 -5.168) 6.939 4.722 ( -1.798 -0.000 0.367) 1.835 4.929 ( -1.417 -0.000 11.048) 11.138 5.008 ( -5.404 -0.000 -12.033) 13.191 5.033 ( -7.083 -0.000 -3.384) 7.850 5.481 ( -4.685 -0.000 10.994) 11.951 5.523 ( -2.577 -0.000 3.066) 4.005 5.539 ( 0.420 0.000 -3.536) 3.560 5.705 ( -6.691 -0.000 -3.997) 7.794 5.762 ( -5.395 -0.000 0.719) 5.443 6.102 ( -6.731 -0.000 -3.179) 7.444 6.129 ( 5.021 0.000 -8.067) 9.502 6.232 ( -3.765 -0.000 4.569) 5.921 6.377 ( -11.582 -0.000 7.969) 14.059 6.596 ( -2.140 -0.000 0.283) 2.159 6.820 ( 7.847 0.000 -9.430) 12.268 7.073 ( 8.901 0.000 -3.081) 9.419 7.089 ( 1.305 0.000 2.013) 2.399 7.380 ( 4.169 0.000 0.393) 4.187 7.611 ( 4.319 0.000 -3.140) 5.340 7.826 ( -4.743 -0.000 8.603) 9.824 7.882 ( 7.469 0.000 -5.458) 9.251 8.031 ( -0.772 -0.000 -2.399) 2.521 8.183 ( -0.010 -0.000 3.885) 3.885 8.439 ( 2.633 0.000 0.331) 2.653 8.492 ( -0.550 -0.000 2.310) 2.375 8.641 ( -9.749 -0.000 5.649) 11.268 8.855 ( 0.725 0.000 -2.151) 2.270 8.968 ( -7.797 -0.000 -4.469) 8.987 9.266 ( -7.393 -0.000 -3.383) 8.130 9.710 ( 0.049 0.000 -0.962) 0.963 9.820 ( -0.652 -0.000 4.209) 4.259 10.593 ( 13.280 0.000 9.419) 16.281 10.618 ( 4.458 0.000 10.216) 11.146 11.026 ( -1.821 -0.000 -19.051) 19.138 11.268 ( -5.456 -0.000 -3.211) 6.331 11.726 ( -11.723 -0.000 -4.066) 12.408 11.871 ( -2.646 -0.000 11.015) 11.329 12.006 ( 6.738 0.000 -1.689) 6.947 12.766 ( 0.023 0.000 1.466) 1.466 13.669 ( 0.363 0.000 -2.511) 2.538 13.783 ( -0.434 -0.000 0.932) 1.028 14.486 ( -12.897 -0.000 -10.463) 16.608 15.101 ( 18.009 0.000 14.595) 23.180 16.081 ( -15.272 -0.000 -9.195) 17.827 16.708 ( -6.917 -0.000 5.210) 8.660 18.273 ( -8.265 -0.000 8.227) 11.661 19.107 ( 8.961 0.000 -19.295) 21.275 19.993 ( 2.172 0.000 14.616) 14.776 21.279 ( 5.362 0.000 -3.742) 6.539 22.498 ( 1.474 0.000 -0.760) 1.658 22.550 ( -0.158 -0.000 0.797) 0.812 ======================= Grid point 151 (67/141) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -10.051 5.393 0.317) 11.411 2.185 ( -17.342 -0.158 -1.833) 17.439 2.273 ( -10.093 6.458 2.004) 12.149 2.399 ( -0.132 1.507 -6.808) 6.974 2.988 ( -5.640 -2.043 14.474) 15.667 3.192 ( 1.224 11.376 3.896) 12.086 3.443 ( -5.299 6.198 5.649) 9.920 3.686 ( 4.491 4.879 0.075) 6.632 3.862 ( -0.071 0.087 -1.297) 1.302 3.903 ( 0.165 1.706 3.111) 3.552 4.135 ( 7.415 -1.461 -9.022) 11.769 4.392 ( 8.340 3.706 -0.741) 9.157 4.432 ( 0.481 3.890 -8.346) 9.221 4.558 ( -0.141 -5.419 3.522) 6.465 4.698 ( 6.258 2.700 -1.804) 7.050 4.720 ( -0.310 -2.928 -4.256) 5.175 4.925 ( 3.908 -4.007 4.275) 7.043 5.028 ( -2.912 -12.974 -5.680) 14.459 5.045 ( 7.052 -3.425 7.632) 10.941 5.414 ( -9.526 5.840 2.193) 11.387 5.464 ( -4.696 -3.175 4.925) 7.509 5.530 ( -0.220 1.276 -0.933) 1.596 5.630 ( -0.147 -2.673 -2.700) 3.802 5.673 ( -6.528 0.871 1.437) 6.741 5.999 ( -1.986 1.177 -1.566) 2.789 6.147 ( 2.141 -0.265 -8.507) 8.776 6.192 ( -5.155 -2.207 3.686) 6.710 6.290 ( -8.370 -8.167 6.902) 13.579 6.569 ( -0.419 -0.274 -1.943) 2.006 6.886 ( 6.667 -0.372 -12.938) 14.560 7.101 ( 0.693 1.689 1.223) 2.197 7.151 ( 2.596 1.135 -2.802) 3.985 7.466 ( 5.840 -0.752 1.724) 6.135 7.647 ( -0.471 -3.775 -2.130) 4.360 7.813 ( -1.034 2.499 9.710) 10.079 7.955 ( 2.346 0.526 -1.234) 2.702 8.039 ( 4.100 -1.373 -3.355) 5.473 8.214 ( 0.062 -1.795 2.129) 2.785 8.424 ( -2.864 2.967 1.328) 4.332 8.481 ( -1.801 0.808 4.249) 4.685 8.524 ( -5.651 0.133 -0.434) 5.669 8.848 ( -4.152 0.101 0.256) 4.161 8.877 ( 0.394 -1.577 0.675) 1.760 9.159 ( -2.341 1.846 -5.619) 6.361 9.717 ( 0.826 0.192 1.049) 1.349 9.838 ( -0.729 -1.933 4.318) 4.787 10.622 ( -5.459 0.870 -7.888) 9.632 10.772 ( -2.196 2.338 -1.190) 3.421 10.951 ( 12.737 1.014 -14.626) 19.421 11.228 ( -1.276 1.037 4.721) 4.999 11.567 ( -4.361 -1.948 4.298) 6.426 11.850 ( -7.605 -1.684 11.490) 13.881 12.107 ( 6.051 2.659 1.750) 6.837 12.771 ( -0.374 -0.630 -0.914) 1.172 13.679 ( 1.084 -1.067 -1.508) 2.142 13.776 ( -0.312 -0.388 -1.004) 1.121 14.334 ( -2.142 -0.576 -0.250) 2.232 15.422 ( 10.399 -1.267 7.682) 12.990 15.800 ( -11.579 0.366 -3.778) 12.186 16.619 ( -5.060 1.763 0.281) 5.366 18.205 ( -5.810 -0.430 8.191) 10.051 19.148 ( 6.688 -2.042 -19.178) 20.413 20.084 ( 0.962 2.183 17.574) 17.735 21.316 ( 2.505 0.310 -6.914) 7.361 22.514 ( 0.842 0.390 -0.097) 0.933 22.553 ( -0.177 -0.635 0.099) 0.666 ======================= Grid point 152 (68/141) ======================= q-point: (-0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 1.537 9.870 2.704) 10.348 2.015 ( -2.062 6.403 -1.759) 6.953 2.109 ( -0.379 4.856 -2.176) 5.335 2.339 ( 3.134 7.581 -10.974) 13.701 2.991 ( -5.255 -1.946 12.880) 14.046 3.072 ( 0.055 18.681 7.795) 20.242 3.348 ( -1.804 7.605 7.650) 10.936 3.677 ( 1.215 6.222 0.611) 6.368 3.861 ( 1.396 3.055 -1.480) 3.671 3.886 ( -0.343 -0.115 1.499) 1.542 4.205 ( 4.752 -2.018 -7.405) 9.027 4.315 ( -2.709 5.921 -8.214) 10.482 4.455 ( 0.322 1.176 1.715) 2.104 4.584 ( 1.048 -1.423 -1.124) 2.094 4.714 ( -1.130 -4.291 -0.997) 4.548 4.806 ( 6.799 -0.030 1.922) 7.065 5.001 ( -7.344 -7.620 1.784) 10.732 5.089 ( -5.966 6.147 4.166) 9.525 5.170 ( 3.147 -12.856 -1.226) 13.292 5.347 ( 2.444 -2.027 3.184) 4.497 5.463 ( -4.675 2.475 2.910) 6.037 5.523 ( 4.771 -8.073 1.214) 9.456 5.594 ( -0.849 0.357 -1.865) 2.081 5.673 ( 3.942 -1.900 -1.451) 4.610 6.009 ( 3.582 -0.804 -1.437) 3.943 6.135 ( -3.018 -6.560 -7.326) 10.287 6.182 ( -0.509 -2.254 0.934) 2.493 6.301 ( -5.229 -9.687 5.320) 12.226 6.577 ( 2.082 -1.211 -3.182) 3.991 6.917 ( 6.587 0.036 -17.236) 18.452 7.093 ( -0.435 2.033 1.509) 2.569 7.115 ( -2.458 2.766 -0.470) 3.730 7.573 ( 1.432 -2.318 2.832) 3.930 7.675 ( -2.512 -9.045 3.694) 10.088 7.810 ( -1.642 2.988 4.850) 5.929 7.953 ( 0.012 1.640 2.931) 3.359 8.144 ( 8.894 -0.073 -3.648) 9.613 8.186 ( -4.390 1.742 -0.400) 4.740 8.361 ( -1.655 0.511 1.192) 2.102 8.453 ( -2.200 1.121 2.377) 3.427 8.480 ( -0.416 1.587 2.916) 3.345 8.832 ( 1.327 -0.794 2.206) 2.694 8.916 ( 1.114 -2.431 1.037) 2.868 9.092 ( 0.332 2.838 -6.988) 7.549 9.744 ( 2.203 1.344 3.754) 4.555 9.876 ( -0.739 -3.184 5.228) 6.166 10.392 ( -11.675 2.469 -16.814) 20.619 10.570 ( -9.562 1.470 -14.196) 17.179 11.166 ( 7.257 2.943 -1.880) 8.053 11.187 ( 7.101 2.096 -2.394) 7.781 11.685 ( 5.305 -1.762 10.283) 11.704 11.809 ( -3.900 -3.360 12.024) 13.079 12.164 ( 3.017 3.526 7.515) 8.832 12.748 ( -2.732 -1.643 -3.508) 4.740 13.693 ( 0.211 -0.235 -0.779) 0.841 13.780 ( -0.143 -2.998 -2.315) 3.790 14.448 ( 11.489 -2.427 10.911) 16.030 15.302 ( -18.806 -3.002 -11.662) 22.331 15.902 ( 15.460 1.732 12.950) 20.241 16.511 ( -4.442 3.326 -4.018) 6.851 18.167 ( -4.390 0.027 8.398) 9.477 19.176 ( 4.487 -4.072 -18.873) 19.822 20.149 ( -0.588 3.699 20.110) 20.456 21.282 ( -0.949 0.773 -10.320) 10.392 22.512 ( -0.453 0.955 0.496) 1.168 22.561 ( 0.317 -1.028 -0.595) 1.229 ======================= Grid point 153 (69/141) ======================= q-point: (-0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 12.551 12.675 4.239) 18.335 1.865 ( 6.128 21.464 -0.482) 22.327 2.202 ( 6.720 10.664 -8.160) 15.016 2.280 ( 14.386 -0.910 -12.687) 19.203 2.941 ( 1.901 16.382 12.266) 20.553 2.968 ( -3.584 7.200 8.600) 11.775 3.312 ( 0.019 4.811 10.587) 11.628 3.625 ( 0.145 5.928 2.143) 6.305 3.862 ( 1.046 0.410 -0.134) 1.131 3.912 ( 3.222 0.580 -2.748) 4.274 4.098 ( -9.285 6.169 -5.991) 12.656 4.288 ( 5.329 0.313 -1.743) 5.615 4.408 ( -4.264 -2.925 -2.677) 5.822 4.652 ( 6.413 0.333 1.117) 6.518 4.743 ( -0.864 -5.812 -4.439) 7.364 4.922 ( 2.923 -2.087 5.291) 6.394 4.934 ( -4.174 -1.093 6.018) 7.405 5.003 ( -8.707 -7.197 0.435) 11.305 5.252 ( -3.507 -6.809 -2.053) 7.929 5.371 ( -0.741 -2.323 -0.572) 2.504 5.388 ( -2.766 2.040 2.623) 4.323 5.604 ( 1.549 -3.947 -1.717) 4.574 5.639 ( 2.753 2.699 -0.782) 3.934 5.882 ( 14.067 -6.270 0.675) 15.416 6.056 ( 1.494 -1.096 -11.487) 11.636 6.110 ( -2.195 -5.008 -4.050) 6.804 6.245 ( 2.110 -6.251 5.417) 8.537 6.342 ( -1.990 -6.001 1.333) 6.461 6.623 ( 3.709 -1.172 -3.039) 4.936 6.961 ( 6.472 -3.591 -13.305) 15.226 7.017 ( -4.965 2.452 2.588) 6.113 7.097 ( 0.669 -0.261 0.320) 0.786 7.569 ( -5.780 -3.713 3.716) 7.810 7.712 ( -7.237 -0.312 6.247) 9.565 7.764 ( -1.527 -1.843 -1.318) 2.733 7.918 ( -4.597 4.761 4.090) 7.780 8.138 ( 2.315 -0.423 -0.966) 2.544 8.282 ( 9.219 -0.058 -0.914) 9.265 8.349 ( -1.957 -1.743 0.512) 2.670 8.417 ( -2.174 4.105 6.021) 7.605 8.478 ( -0.037 0.269 -0.273) 0.385 8.919 ( 7.164 -0.516 1.536) 7.345 8.965 ( 2.022 -2.183 0.220) 2.984 9.057 ( 2.593 0.944 -6.747) 7.290 9.798 ( 3.385 1.599 5.709) 6.827 9.913 ( -1.893 -1.956 4.994) 5.687 10.125 ( -6.629 3.542 -10.783) 13.144 10.366 ( -7.857 -2.127 -12.391) 14.825 11.109 ( 0.345 4.875 -3.536) 6.032 11.367 ( 11.683 2.378 -5.243) 13.024 11.689 ( -5.268 0.528 7.910) 9.519 11.963 ( 7.143 -0.346 3.883) 8.138 12.270 ( 5.094 -3.567 16.898) 18.006 12.681 ( -5.278 -2.366 -5.912) 8.271 13.683 ( -0.578 0.424 -0.975) 1.210 13.797 ( -1.493 -4.351 -2.584) 5.276 14.832 ( 18.118 -7.039 16.503) 25.498 14.975 ( -15.182 -4.680 -9.671) 18.598 16.213 ( 17.232 1.006 11.475) 20.728 16.368 ( -4.850 4.791 -8.315) 10.753 18.139 ( -3.472 1.142 7.819) 8.631 19.191 ( 2.679 -4.989 -16.974) 17.893 20.179 ( -3.368 4.731 21.359) 22.134 21.171 ( -3.866 2.053 -13.184) 13.892 22.492 ( -0.926 0.936 0.253) 1.341 22.574 ( 0.485 -0.813 -0.455) 1.050 ======================= Grid point 154 (70/141) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 7.147 21.837 -1.597) 23.033 1.974 ( 14.539 15.803 7.262) 22.668 2.035 ( 4.086 15.609 -10.810) 19.421 2.550 ( 16.677 4.240 -8.183) 19.054 2.864 ( 0.004 4.692 6.275) 7.835 2.982 ( 14.692 12.592 10.507) 22.019 3.330 ( -1.963 1.690 6.262) 6.777 3.583 ( -7.071 4.107 1.474) 8.309 3.761 ( 2.257 5.579 0.328) 6.027 3.927 ( 0.959 0.137 -3.523) 3.654 4.066 ( 4.508 -4.552 2.591) 6.911 4.372 ( -1.219 -2.669 -7.275) 7.844 4.384 ( 7.469 0.509 1.343) 7.606 4.720 ( -4.140 -4.723 -6.453) 9.005 4.774 ( 4.131 1.047 4.928) 6.515 4.876 ( -5.547 -0.366 4.608) 7.221 4.941 ( -3.193 -4.734 -2.566) 6.260 5.063 ( 2.818 -7.456 7.606) 11.017 5.241 ( -4.137 -7.351 -2.274) 8.736 5.355 ( -1.004 0.688 0.961) 1.551 5.384 ( -0.166 -1.982 -1.134) 2.290 5.609 ( -1.108 0.453 -1.119) 1.639 5.680 ( 4.099 -0.100 -2.250) 4.677 5.946 ( -3.056 0.264 -13.998) 14.330 6.107 ( 0.396 -0.821 2.467) 2.630 6.138 ( 4.450 -4.777 -2.509) 6.995 6.369 ( 3.671 -3.537 1.375) 5.281 6.408 ( 5.864 -3.408 -0.988) 6.854 6.675 ( 2.979 -0.229 -0.731) 3.076 6.906 ( -7.819 -0.673 1.776) 8.046 7.038 ( 0.557 -1.330 2.038) 2.496 7.189 ( 7.354 -7.463 -4.231) 11.299 7.508 ( -8.019 -0.638 3.602) 8.814 7.613 ( -3.615 -0.083 0.753) 3.694 7.701 ( -5.036 2.807 -2.164) 6.158 7.797 ( -7.452 1.392 2.724) 8.056 8.199 ( 1.545 -3.110 0.090) 3.474 8.289 ( -3.429 4.973 2.691) 6.612 8.356 ( -1.587 5.295 4.125) 6.897 8.440 ( 4.210 -4.354 0.977) 6.135 8.454 ( -1.895 -0.853 -4.060) 4.560 9.021 ( 4.567 0.118 1.032) 4.684 9.093 ( 6.726 -1.991 -2.736) 7.530 9.108 ( 11.605 -1.851 -2.619) 12.040 9.841 ( 0.156 4.860 4.633) 6.717 9.883 ( -1.217 -1.919 -0.234) 2.285 10.085 ( 3.176 0.132 5.188) 6.084 10.248 ( -4.788 -4.422 -8.670) 10.847 11.045 ( 0.982 5.817 -6.945) 9.113 11.446 ( 4.973 3.177 -4.394) 7.358 11.632 ( -5.257 1.849 6.671) 8.692 12.061 ( 6.391 1.071 2.852) 7.080 12.507 ( 5.298 -8.110 13.491) 16.609 12.572 ( -6.870 -2.366 -8.118) 10.895 13.661 ( -1.227 -0.153 -1.404) 1.871 13.774 ( -3.729 -1.962 -3.025) 5.187 14.683 ( -12.872 -3.695 -9.053) 16.165 15.441 ( 22.870 -17.371 18.703) 34.272 16.182 ( -5.515 5.902 -12.332) 14.742 16.541 ( 16.620 -1.964 11.219) 20.148 18.110 ( -1.531 2.250 4.805) 5.522 19.198 ( 1.201 -4.991 -12.898) 13.882 20.132 ( -8.471 7.052 19.046) 22.006 21.016 ( -3.295 3.378 -12.508) 13.368 22.471 ( -0.511 0.742 -0.079) 0.905 22.586 ( 0.409 -0.354 -0.124) 0.555 ======================= Grid point 155 (71/141) ======================= q-point: (-0.10 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 8.320 12.836 -2.714) 15.536 1.793 ( 1.598 13.624 -5.871) 14.921 2.175 ( 12.668 11.610 14.557) 22.521 2.581 ( 5.711 9.537 -5.154) 12.253 3.000 ( 11.336 2.618 1.054) 11.682 3.134 ( -6.182 2.035 -3.744) 7.508 3.238 ( 10.786 4.048 2.709) 11.835 3.522 ( 4.079 1.056 3.245) 5.318 3.835 ( 5.733 4.282 -0.685) 7.188 3.943 ( 1.155 -1.543 -0.372) 1.963 4.182 ( 1.283 -5.289 0.580) 5.474 4.337 ( -1.635 -1.504 -1.280) 2.564 4.539 ( 9.437 -1.670 1.264) 9.666 4.620 ( -6.894 1.341 -2.592) 7.486 4.763 ( -0.845 1.600 1.564) 2.391 4.853 ( -0.729 -0.342 0.596) 1.001 5.029 ( 7.058 -3.865 -0.850) 8.091 5.204 ( 4.383 2.772 5.654) 7.672 5.250 ( -5.844 -14.995 0.357) 16.097 5.349 ( 0.919 1.218 1.007) 1.828 5.379 ( -1.652 -2.114 -1.825) 3.245 5.582 ( -0.173 1.852 0.203) 1.871 5.724 ( 2.272 -1.511 -5.249) 5.916 5.864 ( -2.418 -6.041 -6.469) 9.175 6.099 ( 0.280 4.069 2.089) 4.583 6.190 ( -2.056 -4.432 1.486) 5.107 6.421 ( 2.917 0.901 -10.349) 10.790 6.547 ( 6.933 0.248 3.280) 7.673 6.712 ( 0.001 -0.064 -0.113) 0.130 6.793 ( -8.007 -2.613 2.131) 8.688 7.082 ( 1.199 -2.741 4.699) 5.571 7.295 ( -2.700 0.507 4.826) 5.553 7.369 ( -4.755 4.519 -1.198) 6.668 7.540 ( -7.991 4.397 -1.655) 9.269 7.663 ( 3.856 -7.492 -6.477) 10.628 7.741 ( -1.160 -6.254 2.275) 6.755 8.138 ( -6.764 6.262 2.706) 9.607 8.228 ( -2.420 1.450 3.707) 4.658 8.329 ( 0.302 2.438 -1.102) 2.693 8.413 ( 0.300 -2.239 -6.985) 7.341 8.508 ( -1.551 -3.923 2.147) 4.733 9.053 ( -1.131 0.532 3.205) 3.440 9.252 ( 12.861 -0.957 -3.656) 13.405 9.340 ( 12.937 -3.051 -1.330) 13.358 9.810 ( 2.557 6.975 2.618) 7.877 9.898 ( -1.932 -2.425 2.146) 3.771 10.182 ( 2.653 -2.152 2.112) 4.017 10.214 ( -0.517 -3.080 1.179) 3.338 10.964 ( 0.353 4.679 -7.164) 8.564 11.449 ( 1.825 2.086 -3.135) 4.185 11.537 ( -6.848 3.288 4.838) 9.006 12.200 ( 8.339 -1.229 3.611) 9.170 12.428 ( -7.937 -1.205 -9.938) 12.776 12.687 ( 1.293 -6.495 8.630) 10.878 13.633 ( -2.197 -1.081 -1.982) 3.150 13.707 ( -2.270 1.348 -1.989) 3.306 14.531 ( -6.488 -2.954 -5.266) 8.863 15.934 ( -0.820 -2.357 -15.946) 16.140 16.042 ( 10.863 -9.415 11.273) 18.268 16.868 ( 8.165 -7.951 16.678) 20.200 18.117 ( 5.254 1.184 -3.027) 6.178 19.205 ( -0.627 -5.114 -6.824) 8.551 19.940 ( -12.750 11.279 11.034) 20.286 20.917 ( 0.703 2.933 -5.831) 6.565 22.461 ( 0.274 0.758 -0.279) 0.853 22.591 ( 0.120 0.257 0.192) 0.342 ======================= Grid point 161 (72/141) ======================= q-point: (-0.50 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 3.101 -0.000 0.698) 3.178 1.999 ( -1.410 -0.000 -4.539) 4.753 2.224 ( -2.214 -0.000 2.762) 3.540 2.429 ( 4.390 -0.000 -4.240) 6.103 2.962 ( -4.825 -0.000 14.811) 15.577 3.268 ( -0.821 -0.000 3.707) 3.797 3.421 ( -3.463 0.000 5.287) 6.320 3.751 ( 1.163 -0.000 -1.810) 2.151 3.868 ( 1.796 -0.000 -0.659) 1.913 3.914 ( -1.292 -0.000 5.076) 5.238 4.182 ( 5.389 -0.000 -10.928) 12.184 4.429 ( -3.052 -0.000 -12.709) 13.070 4.499 ( -5.398 -0.000 2.150) 5.811 4.518 ( 5.962 0.000 -0.652) 5.997 4.662 ( -3.702 -0.000 -2.716) 4.591 4.778 ( 8.945 -0.000 -2.865) 9.393 4.914 ( -6.957 -0.000 6.077) 9.238 5.002 ( 5.119 -0.000 6.797) 8.509 5.167 ( -4.621 -0.000 4.226) 6.262 5.367 ( 7.412 -0.000 4.295) 8.566 5.404 ( -2.443 -0.000 1.952) 3.127 5.518 ( -3.694 -0.000 0.720) 3.763 5.591 ( 1.924 0.000 -3.598) 4.080 5.660 ( 2.966 -0.000 -1.127) 3.173 6.001 ( 2.902 -0.000 -0.089) 2.903 6.100 ( -2.003 0.000 -9.802) 10.005 6.135 ( -7.373 -0.000 8.992) 11.628 6.175 ( 0.265 0.000 1.035) 1.069 6.560 ( 0.509 -0.000 -0.906) 1.039 6.924 ( 7.539 -0.000 -17.990) 19.506 7.114 ( -0.651 -0.000 1.120) 1.295 7.147 ( -2.242 -0.000 -2.353) 3.250 7.551 ( 3.450 -0.000 3.947) 5.243 7.577 ( -4.854 -0.000 2.373) 5.403 7.841 ( -2.406 -0.000 5.526) 6.027 7.970 ( 1.719 -0.000 1.514) 2.291 8.142 ( 9.348 -0.000 -5.485) 10.839 8.200 ( -2.311 -0.000 1.095) 2.558 8.371 ( -5.963 -0.000 2.019) 6.296 8.450 ( -0.584 -0.000 -3.744) 3.789 8.514 ( -0.168 -0.000 7.879) 7.881 8.826 ( 1.555 -0.000 2.815) 3.216 8.884 ( 0.333 -0.000 1.608) 1.642 9.121 ( -0.157 -0.000 -7.878) 7.879 9.765 ( 3.318 -0.000 3.950) 5.159 9.836 ( -1.277 -0.000 5.626) 5.769 10.417 ( -10.636 -0.000 -16.277) 19.444 10.587 ( -11.300 -0.000 -16.113) 19.680 11.191 ( 16.342 0.000 -3.644) 16.744 11.212 ( -2.677 -0.000 0.439) 2.713 11.668 ( 10.414 -0.000 13.835) 17.317 11.771 ( -8.018 -0.000 11.295) 13.852 12.206 ( 2.756 -0.000 4.873) 5.598 12.729 ( -3.018 -0.000 -4.262) 5.223 13.687 ( 1.032 -0.000 -0.725) 1.261 13.754 ( -1.121 -0.000 -2.119) 2.397 14.425 ( 10.697 -0.000 9.984) 14.632 15.273 ( -17.992 -0.000 -12.014) 21.634 15.920 ( 14.834 -0.000 13.015) 19.735 16.544 ( -4.382 -0.000 -4.190) 6.063 18.168 ( -3.499 -0.000 7.517) 8.291 19.133 ( 4.279 -0.000 -18.462) 18.952 20.188 ( -0.591 -0.000 19.716) 19.725 21.290 ( -0.964 -0.000 -9.593) 9.641 22.531 ( 0.686 -0.000 0.079) 0.690 22.540 ( -0.800 -0.000 -0.111) 0.807 ======================= Grid point 163 (73/141) ======================= q-point: (-0.40 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 13.582 6.656 3.154) 15.451 2.115 ( 14.445 -0.109 -4.772) 15.213 2.242 ( 10.156 5.188 0.814) 11.434 2.459 ( 5.863 7.779 -4.578) 10.763 2.983 ( -1.475 -0.465 12.749) 12.843 3.225 ( -0.716 8.067 5.295) 9.676 3.406 ( -0.937 2.379 6.316) 6.814 3.737 ( 0.232 3.142 -0.569) 3.201 3.880 ( -2.895 3.924 3.611) 6.068 3.905 ( 1.471 -0.873 -1.606) 2.346 4.177 ( -2.619 -0.140 -13.520) 13.772 4.315 ( 1.182 2.633 -2.780) 4.008 4.387 ( -7.055 0.198 0.912) 7.117 4.614 ( -1.814 -4.995 -5.321) 7.519 4.623 ( 4.311 -2.375 0.553) 4.953 4.727 ( -16.397 -9.060 1.451) 18.790 4.951 ( 6.777 4.455 1.660) 8.279 5.032 ( -7.240 2.542 5.045) 9.183 5.115 ( -0.807 -6.598 2.731) 7.187 5.383 ( 0.944 3.391 2.758) 4.472 5.460 ( -0.869 2.570 -0.248) 2.724 5.500 ( 0.913 -6.228 0.833) 6.350 5.705 ( 6.479 3.584 -1.787) 7.617 5.786 ( 17.397 -3.036 -0.873) 17.681 6.016 ( -1.172 -0.128 -8.900) 8.978 6.074 ( 3.247 -2.249 2.650) 4.756 6.135 ( -0.825 -3.438 3.056) 4.673 6.216 ( 1.156 -5.040 2.699) 5.833 6.576 ( 0.670 -2.078 -0.507) 2.242 6.949 ( 7.934 0.957 -20.539) 22.039 7.068 ( -4.653 2.034 -0.347) 5.090 7.098 ( -1.972 -0.015 0.948) 2.188 7.515 ( -5.969 -1.157 5.732) 8.356 7.622 ( -0.839 -4.162 6.979) 8.169 7.796 ( -3.538 1.528 -0.183) 3.858 8.010 ( 1.397 3.209 1.848) 3.958 8.144 ( -2.144 1.381 -0.706) 2.646 8.237 ( 0.578 -3.544 -0.447) 3.619 8.328 ( 2.408 -0.339 -0.148) 2.436 8.444 ( 0.902 0.155 -2.632) 2.786 8.532 ( -1.057 2.771 8.000) 8.532 8.905 ( 3.008 -1.024 1.688) 3.598 8.925 ( 5.791 -1.073 2.077) 6.245 9.077 ( 1.146 0.686 -9.654) 9.746 9.828 ( 0.502 1.413 6.270) 6.447 9.874 ( 2.350 -1.792 7.260) 7.838 10.189 ( -6.600 2.346 -12.937) 14.712 10.330 ( -10.826 -1.337 -14.175) 17.886 11.179 ( 0.632 1.932 -3.502) 4.049 11.396 ( 11.749 0.684 -4.093) 12.460 11.703 ( -5.895 0.671 9.518) 11.215 11.930 ( 11.264 -1.803 9.708) 14.979 12.258 ( 0.974 0.851 10.857) 10.934 12.638 ( -5.354 -1.488 -7.720) 9.512 13.696 ( 0.175 0.857 -0.869) 1.233 13.731 ( -1.093 -2.286 -2.092) 3.286 14.744 ( 18.957 -2.128 16.220) 25.040 14.918 ( -18.305 -1.393 -12.507) 22.213 16.230 ( 16.125 0.535 11.862) 20.025 16.434 ( -4.624 1.756 -8.659) 9.973 18.157 ( -2.195 0.530 6.702) 7.072 19.115 ( 3.043 -2.198 -17.153) 17.559 20.251 ( -2.732 2.090 21.340) 21.616 21.195 ( -4.011 0.506 -11.946) 12.611 22.514 ( -0.855 1.322 -0.098) 1.577 22.549 ( 0.037 -1.503 0.036) 1.504 ======================= Grid point 164 (74/141) ======================= q-point: (-0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 7.672 13.122 2.315) 15.376 2.270 ( 18.822 14.492 1.932) 23.834 2.395 ( 4.736 16.476 -7.401) 18.673 2.550 ( 22.814 -1.783 -1.278) 22.919 2.988 ( -2.653 6.383 7.090) 9.902 3.202 ( 5.730 7.998 6.829) 11.976 3.381 ( -2.525 3.608 4.485) 6.286 3.667 ( -3.344 5.024 3.698) 7.078 3.814 ( -5.297 0.943 4.045) 6.731 3.941 ( 1.061 -5.499 -0.780) 5.654 4.003 ( -4.974 3.945 -5.355) 8.305 4.312 ( -0.878 -2.855 -6.916) 7.534 4.399 ( 6.860 0.630 0.440) 6.903 4.602 ( -12.729 -15.934 -2.006) 20.493 4.612 ( -4.862 -10.466 -6.116) 13.061 4.752 ( 6.922 -2.462 3.287) 8.049 4.946 ( -1.422 2.387 1.822) 3.322 4.975 ( -2.670 1.482 8.524) 9.054 5.132 ( -1.938 -5.807 -6.873) 9.204 5.371 ( -0.221 2.853 2.361) 3.710 5.448 ( 2.633 3.370 0.362) 4.292 5.593 ( 3.266 -0.358 0.604) 3.340 5.737 ( 5.435 3.152 -2.608) 6.803 5.951 ( -1.264 1.381 -8.813) 9.010 6.049 ( 9.248 -3.397 -5.270) 11.173 6.143 ( 2.382 2.047 1.198) 3.361 6.252 ( 6.715 -8.300 10.231) 14.787 6.310 ( 2.837 -4.847 -0.246) 5.621 6.624 ( 0.767 -5.575 0.127) 5.629 6.921 ( -3.733 2.102 -5.595) 7.047 7.019 ( 2.771 0.438 -4.470) 5.277 7.085 ( 2.062 -2.778 -4.818) 5.931 7.461 ( -6.151 -1.295 7.039) 9.437 7.641 ( -5.366 -0.636 7.223) 9.020 7.720 ( -2.304 1.150 -3.358) 4.232 7.906 ( -6.224 7.817 1.738) 10.142 8.146 ( 0.342 -2.052 -1.394) 2.504 8.264 ( -2.886 -7.060 0.909) 7.681 8.392 ( 2.857 0.603 0.919) 3.061 8.431 ( -0.409 1.044 -2.413) 2.661 8.496 ( -2.572 4.832 4.310) 6.967 8.981 ( 3.084 -3.533 1.461) 4.912 9.071 ( 10.352 0.291 -0.407) 10.364 9.097 ( 8.504 -0.302 -7.255) 11.182 9.838 ( -1.667 -1.551 3.348) 4.049 9.935 ( -0.610 3.560 5.475) 6.559 10.094 ( 2.825 0.739 1.347) 3.215 10.171 ( -5.055 -3.374 -9.302) 11.111 11.144 ( 1.136 3.872 -7.225) 8.276 11.496 ( 4.326 1.766 -3.471) 5.820 11.662 ( -3.616 1.142 7.572) 8.468 12.088 ( 5.156 1.335 2.777) 6.007 12.385 ( 4.802 -4.055 15.254) 16.498 12.523 ( -5.780 -2.406 -10.492) 12.218 13.661 ( -2.130 0.066 -2.669) 3.416 13.743 ( 0.140 -1.176 -0.483) 1.280 14.620 ( -13.309 -2.471 -9.584) 16.586 15.204 ( 21.202 -7.367 17.411) 28.407 16.276 ( -5.372 3.485 -12.962) 14.457 16.532 ( 15.423 0.195 10.552) 18.688 18.148 ( -0.957 1.476 4.535) 4.864 19.111 ( 2.466 -3.449 -14.577) 15.181 20.255 ( -5.966 4.962 21.554) 22.909 21.050 ( -5.230 0.568 -12.932) 13.961 22.488 ( -0.763 1.031 -0.216) 1.301 22.564 ( -0.116 -1.643 0.145) 1.653 ======================= Grid point 165 (75/141) ======================= q-point: (-0.20 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 6.371 19.933 -0.732) 20.939 2.188 ( -0.658 24.159 -5.664) 24.823 2.414 ( 10.718 12.926 12.317) 20.825 2.781 ( 4.990 9.473 -1.826) 10.861 2.978 ( 10.152 -1.420 0.728) 10.276 3.221 ( -14.051 4.242 -2.866) 14.955 3.317 ( 11.268 3.192 1.473) 11.804 3.574 ( -0.551 4.722 5.215) 7.056 3.877 ( 5.816 -2.918 8.388) 10.616 3.922 ( 1.460 1.873 -3.170) 3.961 4.038 ( -1.062 -8.528 -0.120) 8.595 4.267 ( -4.809 -4.589 -4.815) 8.208 4.519 ( 8.562 -0.160 -2.915) 9.046 4.584 ( -11.105 -18.882 -1.057) 21.931 4.623 ( 1.102 -3.730 -5.127) 6.435 4.873 ( 3.180 2.068 1.877) 4.232 4.956 ( 5.237 -2.743 1.061) 6.006 5.023 ( 0.849 -4.389 9.896) 10.859 5.143 ( 1.224 -7.279 -7.528) 10.543 5.334 ( -3.630 1.343 2.850) 4.807 5.472 ( 4.203 4.353 1.561) 6.249 5.601 ( 0.735 2.561 0.276) 2.679 5.774 ( 4.159 3.498 -10.444) 11.773 5.863 ( -0.193 5.577 -2.875) 6.277 6.107 ( -1.031 -2.433 -3.887) 4.700 6.175 ( 2.752 1.944 6.142) 7.005 6.380 ( 1.490 -4.553 -5.428) 7.239 6.506 ( 8.374 -5.342 7.219) 12.279 6.683 ( -0.446 -4.012 0.654) 4.089 6.795 ( -5.205 2.960 -2.964) 6.681 7.032 ( -0.447 -2.394 3.492) 4.257 7.217 ( 8.783 -6.206 -5.512) 12.085 7.405 ( -6.798 -0.439 7.055) 9.808 7.562 ( -3.515 1.513 -2.251) 4.439 7.668 ( -0.602 1.979 -1.364) 2.477 7.721 ( -7.822 6.077 0.136) 9.906 8.149 ( -3.994 -2.772 1.768) 5.173 8.273 ( -2.533 -0.789 2.130) 3.402 8.371 ( -3.348 1.027 -0.960) 3.632 8.401 ( 0.647 0.684 -5.160) 5.245 8.441 ( -2.356 -0.220 2.514) 3.452 9.047 ( 0.849 -1.158 1.028) 1.766 9.238 ( 13.080 -0.426 -3.937) 13.666 9.291 ( 13.370 -1.926 -0.448) 13.515 9.846 ( -1.067 -2.462 1.202) 2.941 9.905 ( -0.604 2.132 5.177) 5.631 10.120 ( -0.801 -1.884 -4.823) 5.240 10.203 ( 5.065 0.274 9.358) 10.644 11.060 ( -1.264 4.676 -8.864) 10.101 11.488 ( -0.020 1.693 -3.060) 3.497 11.603 ( -5.947 3.270 5.866) 8.971 12.176 ( 4.991 -1.185 3.541) 6.234 12.405 ( -4.034 -1.061 -12.802) 13.464 12.569 ( 3.300 -5.199 11.071) 12.669 13.614 ( -2.235 -0.766 -2.443) 3.399 13.738 ( -0.028 1.741 -0.141) 1.747 14.465 ( -5.676 -3.511 -4.561) 8.084 15.687 ( 16.707 -12.328 10.233) 23.147 16.082 ( -5.028 4.384 -13.221) 14.808 16.806 ( 11.251 -0.534 11.771) 16.292 18.150 ( 2.638 1.848 -0.311) 3.236 19.119 ( 1.660 -3.516 -10.320) 11.028 20.147 ( -10.730 9.751 17.015) 22.354 20.929 ( -2.740 -1.391 -9.285) 9.781 22.471 ( -0.135 0.482 -0.277) 0.572 22.578 ( -0.293 -1.529 0.229) 1.573 ======================= Grid point 166 (76/141) ======================= q-point: (-0.10 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 0.543 20.017 -1.085) 20.053 1.988 ( 1.796 12.792 1.495) 13.004 2.460 ( -0.720 8.630 12.024) 14.818 2.698 ( -0.106 8.399 -1.185) 8.482 2.971 ( -5.234 1.713 -5.230) 7.595 3.139 ( 5.131 -0.752 -4.037) 6.572 3.435 ( 4.958 1.195 -2.490) 5.675 3.617 ( 4.518 0.511 4.357) 6.297 3.929 ( -1.878 1.993 -5.483) 6.128 3.953 ( 4.698 1.879 -1.634) 5.317 4.047 ( -6.497 -6.813 -2.383) 9.711 4.328 ( 4.761 -7.229 8.342) 12.022 4.525 ( -6.518 0.706 -0.507) 6.575 4.615 ( 3.243 -4.654 -4.779) 7.418 4.745 ( 5.271 -12.395 -1.342) 13.536 4.904 ( 3.152 2.385 -0.708) 4.016 5.082 ( 2.959 -4.044 -0.083) 5.011 5.136 ( 5.256 -1.503 4.531) 7.100 5.222 ( -4.987 -3.565 0.380) 6.142 5.308 ( 3.981 -3.550 7.403) 9.124 5.492 ( 3.298 7.638 2.978) 8.837 5.607 ( 1.418 -0.535 1.589) 2.196 5.704 ( -0.490 -0.073 -9.614) 9.627 5.833 ( 2.634 4.098 -3.320) 5.895 6.070 ( -4.113 -1.471 -0.925) 4.465 6.239 ( 3.365 2.442 4.669) 6.252 6.373 ( -1.493 -1.711 -6.431) 6.820 6.614 ( -2.183 0.074 1.390) 2.589 6.697 ( 0.610 1.790 -5.206) 5.539 6.735 ( 1.414 -1.985 5.353) 5.882 7.104 ( 2.708 -2.946 3.995) 5.655 7.248 ( -7.725 4.705 7.054) 11.470 7.372 ( 0.827 1.044 -0.565) 1.447 7.433 ( -8.664 4.085 -3.430) 10.175 7.637 ( 4.187 -4.625 -5.836) 8.543 7.733 ( 6.363 -5.244 -0.447) 8.257 8.062 ( -8.179 1.482 2.489) 8.677 8.232 ( -2.120 2.270 3.176) 4.442 8.322 ( -0.135 1.296 -4.456) 4.643 8.407 ( 2.774 -0.875 -5.747) 6.442 8.424 ( -4.044 -4.772 2.881) 6.886 9.041 ( -2.624 1.446 3.318) 4.470 9.419 ( 10.071 -0.571 -4.741) 11.146 9.492 ( 9.291 -0.892 -0.305) 9.339 9.848 ( -3.318 -1.897 3.043) 4.886 9.931 ( 2.498 1.225 3.394) 4.389 10.121 ( 1.116 -1.047 -2.124) 2.618 10.307 ( 2.598 0.895 9.216) 9.617 10.968 ( 0.109 2.021 -4.931) 5.330 11.459 ( -0.313 0.804 -2.318) 2.473 11.474 ( -7.373 3.192 2.098) 8.304 12.236 ( -5.321 -2.518 -3.405) 6.800 12.338 ( 6.336 1.247 -8.253) 10.479 12.686 ( -0.053 -4.096 8.530) 9.462 13.593 ( -0.281 -1.086 -0.889) 1.431 13.725 ( 1.337 2.939 1.789) 3.691 14.442 ( 0.024 -1.847 -0.388) 1.887 15.781 ( -4.608 2.209 -26.101) 26.597 16.169 ( 9.198 -11.351 13.330) 19.777 16.972 ( -0.175 0.219 15.737) 15.739 18.223 ( 10.663 -0.021 -7.200) 12.866 19.129 ( -0.091 -2.625 -4.232) 4.981 19.902 ( -12.677 12.185 8.765) 19.647 20.910 ( 0.924 -2.980 -2.755) 4.162 22.471 ( 0.525 0.078 -0.326) 0.623 22.585 ( -0.540 -0.980 0.328) 1.166 ======================= Grid point 173 (77/141) ======================= q-point: (-0.40 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 8.867 0.000 5.600) 10.487 2.421 ( 23.645 0.000 -8.607) 25.162 2.510 ( 17.171 0.000 2.345) 17.330 2.604 ( 8.902 0.000 0.575) 8.920 3.055 ( 2.621 0.000 10.789) 11.102 3.280 ( 0.945 0.000 3.173) 3.311 3.419 ( -3.166 -0.000 4.716) 5.680 3.755 ( -0.963 -0.000 4.342) 4.448 3.848 ( -5.018 -0.000 -1.925) 5.375 3.902 ( -0.522 -0.000 2.793) 2.841 3.979 ( -13.088 -0.000 -7.454) 15.062 4.281 ( -2.334 -0.000 -7.176) 7.546 4.370 ( -20.659 -0.000 1.464) 20.710 4.403 ( 6.179 0.000 0.431) 6.194 4.539 ( 2.240 0.000 -7.098) 7.443 4.723 ( 7.232 0.000 3.150) 7.888 4.977 ( -3.216 -0.000 1.370) 3.496 5.028 ( -6.306 -0.000 8.106) 10.270 5.041 ( 1.355 0.000 -7.961) 8.076 5.421 ( -2.841 -0.000 -0.545) 2.893 5.460 ( 0.581 0.000 -1.483) 1.593 5.591 ( 13.726 0.000 6.384) 15.138 5.806 ( 5.507 0.000 -5.490) 7.776 5.973 ( 4.193 0.000 -5.742) 7.111 5.981 ( 1.568 0.000 -6.221) 6.416 6.145 ( 10.790 0.000 7.768) 13.295 6.213 ( 0.648 0.000 3.964) 4.016 6.217 ( 5.695 0.000 2.727) 6.314 6.549 ( -2.324 -0.000 0.236) 2.336 6.956 ( -0.336 -0.000 -8.742) 8.748 7.035 ( 4.667 0.000 -10.766) 11.734 7.051 ( -4.140 -0.000 0.107) 4.141 7.468 ( -3.946 -0.000 9.434) 10.226 7.605 ( -3.372 -0.000 7.631) 8.343 7.741 ( -2.886 -0.000 -3.539) 4.567 8.040 ( -3.543 -0.000 0.667) 3.605 8.119 ( -1.608 -0.000 -0.057) 1.609 8.139 ( -4.241 -0.000 0.186) 4.245 8.402 ( 2.633 0.000 0.583) 2.697 8.440 ( 0.116 0.000 -3.403) 3.405 8.555 ( -2.660 -0.000 5.595) 6.195 8.936 ( 3.384 0.000 1.274) 3.616 9.078 ( 10.531 0.000 0.924) 10.572 9.092 ( 7.630 0.000 -9.242) 11.985 9.822 ( -2.300 -0.000 3.466) 4.160 9.974 ( -0.204 -0.000 9.425) 9.427 10.109 ( -0.389 -0.000 -4.653) 4.670 10.127 ( -2.637 -0.000 -7.464) 7.916 11.184 ( 1.297 0.000 -7.338) 7.452 11.513 ( 4.084 0.000 -2.917) 5.018 11.673 ( -3.015 -0.000 7.978) 8.528 12.102 ( 5.507 0.000 3.745) 6.660 12.348 ( 3.209 0.000 15.276) 15.610 12.495 ( -4.920 -0.000 -11.969) 12.941 13.662 ( -2.802 -0.000 -3.364) 4.378 13.731 ( 1.993 0.000 0.835) 2.161 14.595 ( -13.699 -0.000 -9.849) 16.872 15.134 ( 20.459 0.000 16.474) 26.268 16.312 ( -5.214 -0.000 -13.300) 14.285 16.535 ( 15.043 0.000 10.739) 18.483 18.164 ( -0.748 -0.000 4.428) 4.491 19.075 ( 3.149 0.000 -14.866) 15.196 20.307 ( -4.858 -0.000 22.340) 22.862 21.053 ( -6.251 -0.000 -13.237) 14.639 22.506 ( -0.716 -0.000 -1.020) 1.246 22.539 ( -0.536 -0.000 0.978) 1.115 ======================= Grid point 175 (78/141) ======================= q-point: (-0.30 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 6.079 8.252 3.300) 10.768 2.575 ( 6.282 10.023 -8.453) 14.539 2.674 ( 9.231 11.847 7.122) 16.622 2.864 ( 14.708 -0.851 1.977) 14.864 3.070 ( 0.643 10.640 3.694) 11.281 3.274 ( -11.291 1.652 0.873) 11.445 3.341 ( 0.678 -1.543 -1.194) 2.066 3.689 ( -3.200 6.102 3.260) 7.623 3.804 ( -2.013 -2.857 9.690) 10.301 3.847 ( -1.713 -8.018 2.963) 8.718 3.963 ( 2.703 -2.261 -4.291) 5.553 4.160 ( -13.251 -11.988 2.125) 17.995 4.195 ( -4.314 -4.529 -9.082) 11.027 4.523 ( 7.994 0.198 -1.026) 8.062 4.592 ( 5.586 -1.002 -8.039) 9.841 4.880 ( 8.644 -0.832 3.212) 9.259 4.931 ( -0.133 0.204 -2.989) 2.998 5.006 ( 0.521 0.332 9.132) 9.153 5.024 ( -0.715 -3.740 -6.144) 7.228 5.358 ( -4.226 0.886 1.403) 4.540 5.472 ( 0.807 -1.520 -1.072) 2.028 5.762 ( 5.968 10.418 -0.861) 12.037 5.830 ( 6.294 1.594 -7.830) 10.172 5.960 ( 0.733 1.256 -2.252) 2.681 6.045 ( 3.525 -3.726 -2.886) 5.885 6.228 ( 3.262 4.251 5.347) 7.570 6.300 ( 0.563 -2.790 0.301) 2.863 6.381 ( 8.037 -5.325 6.260) 11.495 6.540 ( -2.833 -7.484 1.318) 8.110 6.886 ( -1.584 5.171 -2.393) 5.914 6.987 ( -3.904 -2.733 1.526) 5.003 7.117 ( 10.360 -3.371 -13.091) 17.032 7.448 ( -2.851 4.425 10.027) 11.325 7.580 ( -5.340 -1.546 5.644) 7.922 7.682 ( -0.760 0.525 -5.380) 5.458 7.881 ( -8.440 7.855 0.863) 11.562 8.100 ( -2.408 -1.405 -0.356) 2.811 8.154 ( -0.881 -7.813 0.085) 7.863 8.391 ( -4.174 0.778 3.343) 5.404 8.418 ( 0.278 0.582 -5.145) 5.185 8.489 ( -5.349 2.420 0.962) 5.949 9.018 ( 4.811 -1.224 -1.088) 5.082 9.236 ( 13.408 0.146 -4.907) 14.278 9.264 ( 11.968 -0.838 1.100) 12.047 9.812 ( -0.923 -0.887 1.342) 1.855 9.904 ( -6.135 -1.001 1.795) 6.470 10.120 ( 2.194 0.805 1.141) 2.600 10.206 ( 6.132 0.035 8.131) 10.185 11.129 ( -1.931 2.010 -9.749) 10.140 11.510 ( -1.215 0.562 -2.391) 2.740 11.653 ( -4.784 1.522 6.560) 8.260 12.158 ( 1.217 -0.549 2.428) 2.771 12.389 ( -0.408 -0.438 -14.115) 14.128 12.496 ( 4.245 -1.987 12.662) 13.502 13.604 ( -2.419 -0.268 -2.828) 3.731 13.767 ( 1.893 0.893 1.345) 2.488 14.410 ( -5.828 -1.708 -4.220) 7.395 15.527 ( 17.097 -4.036 10.848) 20.647 16.146 ( -5.273 1.818 -15.632) 16.597 16.806 ( 11.900 0.132 11.622) 16.634 18.178 ( 1.998 0.799 0.337) 2.178 19.072 ( 3.611 -1.182 -11.802) 12.398 20.299 ( -7.405 4.775 22.019) 23.717 20.887 ( -6.679 -1.895 -13.057) 14.788 22.487 ( -0.258 1.012 -0.841) 1.341 22.541 ( -0.887 -1.780 0.800) 2.143 ======================= Grid point 176 (79/141) ======================= q-point: (-0.20 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -1.539 13.902 -0.530) 13.997 2.370 ( -5.159 24.548 -3.501) 25.327 2.636 ( -7.848 9.467 10.918) 16.445 2.873 ( -2.563 7.522 1.283) 8.049 2.994 ( -6.509 3.031 -1.860) 7.417 3.149 ( 3.584 0.746 -1.843) 4.099 3.411 ( 4.515 -3.055 -6.037) 8.134 3.654 ( 0.953 1.562 5.019) 5.342 3.867 ( -5.109 -8.024 0.989) 9.564 3.961 ( 2.326 -0.808 0.718) 2.565 3.989 ( 2.914 0.988 -2.342) 3.867 4.143 ( 2.172 -11.968 3.359) 12.618 4.282 ( 0.187 -17.283 2.310) 17.438 4.578 ( -0.015 -0.076 -12.456) 12.456 4.625 ( 2.884 -0.513 1.123) 3.137 4.910 ( -0.213 -0.302 -3.529) 3.549 5.009 ( 3.310 -3.119 -0.502) 4.575 5.120 ( 9.751 -0.854 7.575) 12.377 5.153 ( 9.883 -4.337 1.657) 10.919 5.285 ( -4.441 1.269 3.929) 6.064 5.506 ( 0.536 -3.068 0.387) 3.138 5.706 ( 2.783 9.230 -3.599) 10.290 5.808 ( 0.118 5.894 -2.428) 6.375 5.935 ( -0.113 3.962 -4.080) 5.689 6.059 ( -0.480 2.397 -4.709) 5.306 6.289 ( -2.778 -1.016 -3.076) 4.268 6.312 ( 6.574 0.667 7.205) 9.777 6.537 ( -1.004 -7.188 3.000) 7.854 6.620 ( 1.319 -7.489 4.443) 8.807 6.789 ( -0.569 4.546 -3.627) 5.844 7.037 ( 3.802 -3.463 3.154) 6.033 7.289 ( 9.992 -5.992 -7.380) 13.792 7.371 ( -5.923 6.734 9.393) 12.987 7.505 ( -4.262 2.367 -3.239) 5.853 7.657 ( -3.986 3.142 -1.209) 5.218 7.702 ( 0.552 2.227 -1.510) 2.747 8.065 ( -4.820 -0.200 2.478) 5.423 8.216 ( -0.881 -6.163 0.874) 6.287 8.311 ( -5.108 0.809 2.822) 5.891 8.384 ( -5.035 -0.891 0.434) 5.131 8.407 ( 2.604 1.275 -7.929) 8.442 9.071 ( 2.019 1.470 -0.608) 2.571 9.416 ( 10.800 0.292 -3.963) 11.508 9.471 ( 10.745 -1.290 1.351) 10.906 9.811 ( -2.208 -1.530 1.914) 3.298 9.870 ( -2.919 -4.715 2.018) 5.901 10.163 ( 3.724 3.008 3.122) 5.715 10.325 ( 3.287 0.744 9.797) 10.360 11.013 ( -3.233 2.133 -7.498) 8.439 11.469 ( -1.253 0.335 -3.543) 3.773 11.540 ( -8.856 2.898 3.636) 10.002 12.181 ( -1.867 -2.471 -1.540) 3.459 12.365 ( 5.913 1.104 -11.581) 13.050 12.618 ( 1.321 -2.601 9.768) 10.194 13.574 ( -0.524 -0.742 -0.904) 1.282 13.783 ( 1.587 2.623 2.265) 3.812 14.398 ( 1.917 -2.232 1.477) 3.292 15.769 ( 4.281 -3.148 -19.499) 20.211 16.039 ( 2.070 -1.699 5.108) 5.768 16.994 ( 3.461 1.254 14.851) 15.300 18.236 ( 8.744 0.888 -5.655) 10.451 19.093 ( 3.364 -1.039 -7.603) 8.379 20.154 ( -11.595 12.876 15.019) 22.930 20.801 ( -3.276 -7.709 -6.404) 10.544 22.474 ( 0.073 0.523 -0.458) 0.699 22.551 ( -0.852 -2.306 0.411) 2.493 ======================= Grid point 177 (80/141) ======================= q-point: (-0.10 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -7.347 9.459 1.250) 12.043 2.022 ( -9.469 17.508 -0.964) 19.928 2.362 ( -17.552 3.262 3.569) 18.205 2.781 ( -0.619 6.465 -1.390) 6.642 2.968 ( 1.896 1.236 4.685) 5.203 3.141 ( -2.230 -0.500 -1.957) 3.009 3.429 ( -1.920 -0.878 -6.915) 7.230 3.698 ( -0.747 2.712 2.874) 4.022 3.818 ( -2.287 -5.042 -5.337) 7.690 3.893 ( -1.502 1.012 -7.234) 7.458 4.082 ( 5.454 0.885 -0.619) 5.560 4.388 ( 5.110 -8.234 7.594) 12.312 4.409 ( -3.887 -6.065 2.295) 7.560 4.536 ( -0.872 -8.125 -2.544) 8.558 4.715 ( 3.621 -10.262 -1.085) 10.936 4.876 ( -3.598 -2.209 -1.824) 4.599 5.080 ( 1.166 -2.055 0.188) 2.371 5.159 ( -4.193 4.076 0.816) 5.905 5.328 ( 10.419 1.763 3.067) 11.003 5.423 ( 9.143 -2.605 8.918) 13.035 5.546 ( 0.090 -3.509 -0.652) 3.570 5.625 ( -0.061 8.471 2.919) 8.960 5.754 ( 1.156 5.720 -0.206) 5.839 5.870 ( 0.787 2.925 -4.913) 5.772 5.993 ( -2.816 -0.217 -2.433) 3.727 6.229 ( -1.355 0.924 -4.168) 4.479 6.434 ( 4.835 1.009 2.126) 5.378 6.573 ( 0.405 -2.771 0.827) 2.920 6.672 ( -0.386 -2.395 -0.879) 2.580 6.811 ( 5.019 1.474 1.511) 5.445 7.143 ( 3.009 -1.386 -0.675) 3.381 7.226 ( -7.634 8.129 9.303) 14.523 7.331 ( -6.118 3.309 -1.619) 7.142 7.403 ( 0.006 3.701 -2.112) 4.261 7.653 ( 7.165 -5.711 -4.443) 10.183 7.795 ( 6.809 -4.966 -2.172) 8.703 7.964 ( -6.369 2.429 1.887) 7.072 8.232 ( -1.541 0.451 2.680) 3.124 8.287 ( -2.897 -4.903 2.467) 6.206 8.336 ( -2.399 -2.156 0.876) 3.342 8.440 ( 7.228 -0.123 -9.638) 12.048 9.043 ( -2.405 4.278 2.072) 5.327 9.497 ( 2.927 1.375 -6.506) 7.265 9.609 ( 4.169 0.286 0.918) 4.279 9.776 ( -5.486 -1.508 3.574) 6.719 9.912 ( -0.061 -6.238 1.883) 6.516 10.180 ( 0.628 3.743 0.690) 3.858 10.386 ( 0.712 1.867 9.157) 9.373 10.979 ( 2.868 -1.472 0.352) 3.243 11.378 ( -7.510 1.678 -2.668) 8.145 11.447 ( -0.027 -0.045 -2.115) 2.115 12.115 ( -4.208 -0.122 -8.780) 9.737 12.419 ( 6.141 1.513 -5.993) 8.713 12.687 ( -0.885 -2.406 8.286) 8.673 13.599 ( 2.613 -0.829 0.922) 2.893 13.798 ( 1.690 2.499 3.904) 4.934 14.498 ( 6.698 0.188 5.206) 8.486 15.590 ( -4.436 3.482 -34.203) 34.665 16.229 ( 3.884 -9.381 10.361) 14.506 17.009 ( -7.926 3.982 16.682) 18.894 18.393 ( 15.500 0.466 -9.255) 18.059 19.124 ( 2.880 0.240 -1.988) 3.508 19.859 ( -13.234 14.069 6.738) 20.456 20.859 ( 0.859 -9.373 0.190) 9.414 22.475 ( 0.299 -0.398 -0.187) 0.531 22.561 ( -0.789 -1.962 0.192) 2.123 ======================= Grid point 185 (81/141) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -4.692 -0.000 -0.141) 4.694 2.607 ( -7.034 -0.000 -7.981) 10.639 2.851 ( -0.462 -0.000 11.664) 11.674 2.907 ( -7.125 -0.000 -1.332) 7.248 3.077 ( -9.721 -0.000 -2.508) 10.039 3.199 ( -6.721 -0.000 0.778) 6.766 3.333 ( 10.670 0.000 3.683) 11.288 3.574 ( -4.480 -0.000 -6.778) 8.124 3.840 ( -0.549 -0.000 12.374) 12.386 3.868 ( 4.219 0.000 9.294) 10.207 3.989 ( 4.990 0.000 -7.632) 9.118 4.067 ( -2.423 -0.000 -11.977) 12.220 4.086 ( 3.896 0.000 11.297) 11.950 4.577 ( -0.262 -0.000 -15.302) 15.305 4.626 ( 2.945 0.000 1.460) 3.287 4.912 ( -2.222 -0.000 -5.357) 5.799 4.968 ( 5.986 0.000 -0.857) 6.047 5.103 ( 11.991 0.000 1.826) 12.129 5.111 ( 7.831 0.000 8.520) 11.572 5.303 ( -4.247 -0.000 4.256) 6.013 5.474 ( 1.468 0.000 0.656) 1.608 5.805 ( -0.335 -0.000 -8.688) 8.695 5.902 ( -0.757 -0.000 -3.114) 3.205 5.932 ( 1.205 0.000 -1.310) 1.780 6.144 ( 7.680 0.000 -2.181) 7.983 6.229 ( -6.336 -0.000 -2.455) 6.795 6.402 ( 6.198 0.000 4.682) 7.768 6.440 ( 2.790 0.000 1.390) 3.117 6.469 ( 0.494 0.000 9.267) 9.281 6.850 ( -5.800 -0.000 -2.283) 6.233 6.993 ( 6.249 0.000 2.639) 6.783 7.216 ( 11.304 0.000 -9.514) 14.775 7.488 ( -6.703 -0.000 2.770) 7.253 7.499 ( -1.680 -0.000 6.196) 6.419 7.667 ( 2.503 0.000 -5.162) 5.737 7.766 ( -10.980 -0.000 2.111) 11.181 8.092 ( 1.323 0.000 -1.321) 1.869 8.096 ( -1.392 -0.000 2.545) 2.900 8.328 ( -6.884 -0.000 6.811) 9.684 8.371 ( -7.181 -0.000 -1.536) 7.344 8.425 ( 2.381 0.000 -8.906) 9.219 9.088 ( 5.039 0.000 -3.387) 6.072 9.426 ( 11.827 0.000 -4.715) 12.732 9.450 ( 10.483 0.000 3.931) 11.196 9.802 ( -0.994 -0.000 1.146) 1.517 9.810 ( -5.578 -0.000 2.207) 5.999 10.195 ( 3.522 0.000 4.967) 6.089 10.332 ( 3.759 0.000 9.784) 10.481 11.036 ( -4.408 -0.000 -8.431) 9.514 11.472 ( -1.734 -0.000 -3.706) 4.091 11.571 ( -9.377 -0.000 4.096) 10.233 12.155 ( -0.804 -0.000 -1.859) 2.026 12.376 ( 6.082 0.000 -12.014) 13.466 12.592 ( 1.831 0.000 10.243) 10.405 13.567 ( -0.608 -0.000 -0.885) 1.073 13.812 ( 1.617 0.000 2.327) 2.834 14.373 ( 2.690 0.000 2.410) 3.612 15.727 ( 8.115 0.000 -12.692) 15.064 16.035 ( -1.231 -0.000 -3.030) 3.270 17.007 ( 4.393 0.000 15.335) 15.952 18.246 ( 8.302 0.000 -5.386) 9.896 19.084 ( 4.489 0.000 -8.892) 9.961 20.322 ( -7.424 -0.000 23.905) 25.031 20.684 ( -8.110 -0.000 -14.246) 16.393 22.490 ( 0.544 0.000 -1.599) 1.689 22.515 ( -1.682 -0.000 1.506) 2.258 ======================= Grid point 186 (82/141) ======================= q-point: (-0.20 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -17.525 3.848 -3.687) 18.318 2.282 ( -23.882 3.965 -5.326) 24.788 2.592 ( -11.444 18.136 1.163) 21.477 2.871 ( -5.021 0.484 6.911) 8.556 3.007 ( 1.217 2.085 0.420) 2.450 3.109 ( -7.085 -2.498 -0.807) 7.556 3.432 ( 1.963 2.979 -3.507) 5.002 3.608 ( 1.801 -10.777 -1.809) 11.075 3.827 ( -5.404 4.890 5.707) 9.257 3.953 ( 0.672 4.280 -4.564) 6.293 4.043 ( 6.864 -3.158 -1.399) 7.684 4.118 ( 6.474 -13.498 3.451) 15.363 4.262 ( 5.328 -5.616 7.096) 10.502 4.460 ( -5.223 -1.127 -11.911) 13.055 4.643 ( -0.347 -0.355 -0.331) 0.597 4.850 ( -3.367 -0.531 -1.266) 3.636 5.057 ( 3.323 -0.400 0.713) 3.422 5.219 ( -1.422 1.884 1.550) 2.823 5.271 ( 4.961 -3.450 -1.701) 6.277 5.384 ( 13.414 -0.866 9.125) 16.247 5.556 ( 7.925 1.125 6.037) 10.026 5.741 ( -2.351 2.146 -3.070) 4.423 5.859 ( -2.740 4.146 -1.214) 5.115 5.911 ( 0.615 0.553 -1.860) 2.036 6.051 ( -5.703 5.394 -4.575) 9.085 6.241 ( 2.668 -0.660 -3.600) 4.529 6.448 ( 1.590 1.066 -0.199) 1.925 6.489 ( 2.458 -3.714 3.992) 5.981 6.608 ( 1.554 -3.345 4.222) 5.606 6.825 ( 5.797 0.197 0.995) 5.885 7.112 ( 6.073 -0.982 0.367) 6.163 7.349 ( 0.842 1.809 3.355) 3.904 7.369 ( -1.494 1.796 -4.714) 5.261 7.471 ( -1.023 2.232 -2.484) 3.492 7.607 ( -5.480 0.870 1.014) 5.640 7.723 ( 3.432 -2.453 -0.499) 4.248 8.038 ( -3.212 4.613 1.621) 5.850 8.155 ( 0.378 -5.194 1.048) 5.312 8.256 ( -5.503 0.127 7.365) 9.195 8.269 ( -4.604 -3.524 -2.030) 6.143 8.456 ( 7.657 0.893 -9.981) 12.611 9.116 ( 1.450 2.434 -3.210) 4.281 9.533 ( 4.620 1.934 -4.404) 6.670 9.611 ( 5.309 -0.092 2.117) 5.717 9.743 ( -5.443 -1.930 4.467) 7.301 9.797 ( -1.205 -3.641 0.643) 3.889 10.237 ( -0.765 1.597 2.494) 3.059 10.415 ( 1.473 0.861 9.471) 9.623 10.965 ( 0.016 -0.229 -1.405) 1.423 11.395 ( -7.031 0.242 -5.530) 8.948 11.458 ( -2.641 0.676 0.631) 2.798 12.107 ( -2.883 -0.403 -7.843) 8.366 12.443 ( 7.883 0.687 -7.678) 11.026 12.652 ( -0.350 -0.960 8.909) 8.968 13.588 ( 3.136 -0.284 1.337) 3.421 13.836 ( 0.577 1.102 3.186) 3.420 14.497 ( 8.785 -0.145 7.441) 11.514 15.635 ( -0.699 1.001 -36.975) 36.995 16.105 ( 2.668 -3.042 10.056) 10.839 17.067 ( -6.468 1.675 18.562) 19.728 18.407 ( 16.690 0.564 -9.758) 19.341 19.121 ( 4.248 -0.299 -5.456) 6.921 20.194 ( -10.319 18.346 13.303) 24.900 20.603 ( -4.580 -15.785 -2.844) 16.681 22.479 ( -0.377 1.017 -0.097) 1.089 22.515 ( -0.674 -2.423 -0.045) 2.516 ======================= Grid point 187 (83/141) ======================= q-point: (-0.10 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -23.055 2.014 -0.327) 23.145 1.817 ( -26.161 -1.456 -6.729) 27.052 2.315 ( -3.640 12.935 2.799) 13.726 2.781 ( -6.125 4.743 1.037) 7.816 2.993 ( -9.723 -3.300 5.886) 11.836 3.012 ( -3.836 -3.547 -3.182) 6.117 3.340 ( -5.897 4.473 -5.548) 9.250 3.631 ( -8.068 4.206 -1.019) 9.155 3.752 ( 2.171 -7.234 -3.449) 8.303 3.953 ( 4.989 5.080 0.739) 7.158 4.147 ( 3.491 -0.500 -5.869) 6.847 4.275 ( -6.164 -4.646 -0.253) 7.723 4.400 ( 2.989 -11.314 7.442) 13.868 4.444 ( 1.264 -8.380 0.965) 8.529 4.651 ( -0.020 -3.839 -2.269) 4.459 4.815 ( -2.285 -1.505 3.143) 4.167 5.072 ( -1.348 0.728 0.325) 1.566 5.168 ( -0.615 4.602 0.812) 4.713 5.320 ( -3.441 -7.226 -2.162) 8.290 5.581 ( 2.969 3.713 4.586) 6.605 5.653 ( 4.669 11.154 0.589) 12.106 5.737 ( 0.231 2.846 3.508) 4.523 5.798 ( 6.012 -2.595 2.302) 6.941 5.867 ( -0.161 0.709 -0.843) 1.113 6.016 ( 6.378 2.276 -0.004) 6.772 6.257 ( 4.082 2.524 -2.786) 5.550 6.438 ( -0.642 -0.900 -4.150) 4.295 6.589 ( 1.523 -6.011 0.304) 6.208 6.657 ( 0.854 0.191 2.656) 2.797 6.952 ( 8.895 3.759 -0.582) 9.675 7.154 ( -0.240 2.924 -3.044) 4.227 7.264 ( -3.869 6.881 12.385) 14.687 7.290 ( -2.693 3.308 -1.911) 4.674 7.405 ( -1.842 3.212 -5.173) 6.361 7.692 ( 7.684 -9.205 -3.354) 12.451 7.792 ( -0.348 -2.448 1.855) 3.091 7.964 ( 1.742 2.716 -2.249) 3.933 8.191 ( -6.698 -4.055 10.191) 12.851 8.209 ( -0.530 -2.388 -0.812) 2.577 8.304 ( 2.913 -4.111 -2.269) 5.526 8.551 ( 11.018 1.435 -9.022) 14.312 9.052 ( -3.466 5.227 -0.219) 6.276 9.469 ( -6.400 3.065 -4.391) 8.345 9.568 ( -9.278 -0.515 -1.109) 9.359 9.737 ( 0.368 0.041 2.919) 2.942 9.879 ( 1.945 -6.432 3.340) 7.504 10.169 ( -4.849 1.921 0.281) 5.223 10.467 ( 1.907 1.699 7.769) 8.178 11.030 ( 3.671 -2.719 4.991) 6.765 11.245 ( -6.520 -0.214 -9.249) 11.318 11.449 ( 1.130 0.137 0.111) 1.143 12.002 ( -4.375 0.040 -10.512) 11.386 12.515 ( 6.392 2.968 -4.430) 8.323 12.693 ( -0.594 -1.328 7.282) 7.426 13.678 ( 6.704 0.313 1.573) 6.893 13.843 ( -0.631 0.900 3.720) 3.879 14.697 ( 11.624 1.953 9.938) 15.417 15.381 ( -3.798 4.569 -42.725) 43.136 16.213 ( -0.637 -6.748 6.375) 9.306 16.953 ( -14.456 4.314 17.645) 23.215 18.634 ( 17.590 3.544 -8.605) 19.901 19.188 ( 5.907 -1.857 -1.069) 6.284 19.841 ( -12.867 20.744 4.601) 24.841 20.757 ( 1.225 -17.124 4.883) 17.848 22.470 ( -0.479 -0.620 0.558) 0.962 22.529 ( -0.380 -2.227 -0.596) 2.337 ======================= Grid point 196 (84/141) ======================= q-point: (-0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -26.437 -0.000 -4.704) 26.852 1.832 ( -29.439 -0.000 -5.330) 29.918 2.506 ( -9.478 -0.000 -1.274) 9.563 2.826 ( -11.109 -0.000 12.442) 16.680 2.892 ( -14.414 -0.000 0.557) 14.425 3.018 ( 1.495 0.000 -11.105) 11.205 3.475 ( -2.701 -0.000 -0.022) 2.701 3.540 ( 0.819 0.000 -3.937) 4.021 3.722 ( -6.848 -0.000 3.083) 7.510 4.064 ( -0.945 -0.000 -5.671) 5.749 4.131 ( 7.172 0.000 8.006) 10.748 4.139 ( 8.044 0.000 2.354) 8.381 4.297 ( -7.163 -0.000 -10.167) 12.437 4.345 ( 3.802 0.000 5.543) 6.721 4.630 ( 0.203 0.000 -1.602) 1.615 4.802 ( -3.183 -0.000 3.113) 4.452 5.084 ( -0.128 -0.000 0.200) 0.237 5.227 ( 0.168 0.000 1.777) 1.785 5.237 ( -3.429 -0.000 -1.645) 3.803 5.659 ( 14.227 0.000 6.282) 15.553 5.682 ( -2.209 -0.000 3.253) 3.932 5.777 ( 2.279 0.000 -0.010) 2.279 5.805 ( 5.919 0.000 1.169) 6.034 5.871 ( -7.643 -0.000 -1.256) 7.746 6.048 ( 6.921 0.000 -2.247) 7.277 6.288 ( 3.971 0.000 -1.717) 4.327 6.465 ( -1.085 -0.000 2.255) 2.502 6.477 ( 1.169 0.000 -5.524) 5.646 6.653 ( 1.891 0.000 5.020) 5.364 6.993 ( 11.904 0.000 0.946) 11.942 7.180 ( 3.238 0.000 -3.964) 5.119 7.287 ( -4.567 -0.000 1.657) 4.858 7.408 ( -2.249 -0.000 -1.390) 2.644 7.492 ( 5.277 0.000 -2.575) 5.872 7.509 ( -5.687 -0.000 3.146) 6.499 7.771 ( 3.410 0.000 1.576) 3.756 8.023 ( -1.598 -0.000 -2.363) 2.853 8.125 ( -4.590 -0.000 7.463) 8.761 8.184 ( -1.700 -0.000 -1.875) 2.531 8.251 ( 2.670 0.000 1.324) 2.980 8.569 ( 11.161 0.000 -8.520) 14.042 9.109 ( -2.009 -0.000 -4.123) 4.586 9.521 ( -6.923 -0.000 -0.848) 6.975 9.548 ( -9.741 -0.000 -2.812) 10.139 9.767 ( 1.703 0.000 10.397) 10.536 9.771 ( 2.307 0.000 -4.203) 4.794 10.190 ( -5.683 -0.000 0.547) 5.709 10.484 ( 1.731 0.000 7.514) 7.711 11.003 ( 2.918 0.000 4.837) 5.649 11.242 ( -7.096 -0.000 -9.903) 12.183 11.452 ( 0.761 0.000 1.102) 1.339 12.001 ( -4.284 -0.000 -10.909) 11.720 12.545 ( 7.947 0.000 -4.768) 9.267 12.679 ( -0.448 -0.000 7.617) 7.630 13.681 ( 7.408 0.000 1.763) 7.615 13.851 ( -1.177 -0.000 3.499) 3.691 14.718 ( 12.517 0.000 11.088) 16.722 15.429 ( -1.209 -0.000 -46.023) 46.039 16.144 ( -0.729 -0.000 6.534) 6.575 16.998 ( -14.468 -0.000 19.411) 24.210 18.676 ( 21.890 0.000 -10.153) 24.130 19.156 ( 3.087 0.000 -3.460) 4.637 20.290 ( -7.702 -0.000 -13.868) 15.863 20.358 ( -4.412 -0.000 27.129) 27.486 22.469 ( -2.004 -0.000 1.814) 2.703 22.497 ( 0.781 0.000 -2.027) 2.172 ======================= Grid point 197 (85/141) ======================= q-point: (-0.10 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -29.258 -3.055 -3.484) 29.623 1.337 ( -26.962 -2.007 -0.145) 27.037 2.346 ( -10.641 6.344 0.343) 12.393 2.470 ( -26.060 -6.307 5.345) 27.340 2.852 ( -4.591 -4.342 2.944) 6.972 2.922 ( -4.519 1.522 -13.953) 14.745 3.301 ( -5.952 14.198 -2.542) 15.603 3.572 ( -0.166 -6.448 -0.984) 6.524 3.743 ( 2.586 0.226 4.171) 4.913 3.965 ( -8.098 -3.493 -2.988) 9.312 4.113 ( -8.459 0.710 -4.038) 9.400 4.188 ( 2.241 4.513 4.770) 6.939 4.373 ( 3.742 -10.769 3.788) 12.013 4.442 ( 4.041 -3.958 3.240) 6.518 4.643 ( 2.097 -0.437 -0.811) 2.290 4.765 ( -3.891 -2.085 1.822) 4.775 5.064 ( -0.428 1.647 -2.112) 2.712 5.182 ( -3.942 -2.214 2.310) 5.077 5.247 ( 2.238 2.514 2.299) 4.076 5.637 ( -1.267 4.388 0.630) 4.611 5.710 ( -5.550 0.311 -4.532) 7.172 5.730 ( -0.788 0.835 -2.377) 2.639 5.884 ( 9.030 4.584 2.980) 10.556 6.026 ( 10.897 -2.820 4.934) 12.290 6.170 ( 8.178 1.707 0.976) 8.411 6.355 ( 5.917 1.694 0.184) 6.157 6.432 ( 2.516 1.574 -2.774) 4.063 6.525 ( 0.005 -5.777 -0.804) 5.832 6.659 ( -3.953 0.281 2.311) 4.588 7.084 ( -0.517 7.362 -1.520) 7.535 7.206 ( 4.206 -4.054 -3.829) 6.985 7.274 ( 1.719 3.905 -0.465) 4.292 7.317 ( -2.971 5.093 -0.374) 5.908 7.419 ( 2.414 5.558 3.569) 7.033 7.651 ( 2.306 -11.784 2.383) 12.242 7.828 ( 3.369 1.351 0.624) 3.683 7.991 ( 1.076 0.321 -4.433) 4.573 8.097 ( -6.046 -3.480 9.209) 11.553 8.186 ( 2.040 -2.039 -2.807) 4.025 8.324 ( 4.011 -2.001 -1.776) 4.821 8.709 ( 10.987 1.426 -6.523) 12.857 9.019 ( -5.474 2.876 -0.772) 6.232 9.319 ( -13.211 2.699 -2.945) 13.801 9.362 ( -13.332 -0.926 -1.961) 13.507 9.776 ( 1.630 1.856 0.493) 2.519 9.858 ( 0.390 -5.855 3.577) 6.872 10.107 ( -4.203 0.548 1.928) 4.656 10.544 ( 2.671 0.564 3.818) 4.694 11.061 ( -1.779 -1.151 1.458) 2.572 11.074 ( -6.244 -1.298 -11.476) 13.129 11.496 ( 3.072 0.261 5.158) 6.009 11.886 ( -3.440 -0.215 -9.466) 10.074 12.633 ( 6.482 3.128 -2.760) 7.709 12.715 ( 0.695 -0.518 5.296) 5.366 13.812 ( 5.250 1.664 0.880) 5.578 13.841 ( 0.911 -0.669 1.760) 2.092 14.971 ( 12.543 2.848 9.165) 15.793 15.133 ( -4.728 2.922 -49.026) 49.340 16.153 ( -3.101 -3.364 3.328) 5.657 16.804 ( -18.914 2.578 16.830) 25.449 18.933 ( 16.417 9.051 -5.929) 19.662 19.230 ( 5.621 -8.090 -0.840) 9.886 19.923 ( -8.278 27.731 -1.658) 28.988 20.626 ( 2.807 -23.660 15.399) 28.369 22.452 ( -1.352 -0.935 1.670) 2.343 22.505 ( 0.320 -1.251 -1.767) 2.189 ======================= Grid point 207 (86/141) ======================= q-point: (-0.10 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -27.578 -0.000 0.257) 27.580 0.887 ( -23.870 -0.000 13.606) 27.476 1.779 ( -45.815 -0.000 10.941) 47.103 2.417 ( 1.642 0.000 4.127) 4.441 2.702 ( -12.333 -0.000 -16.630) 20.704 2.749 ( -4.066 -0.000 -10.456) 11.219 3.353 ( -0.982 -0.000 -4.742) 4.843 3.528 ( 3.070 0.000 3.705) 4.811 3.745 ( -11.294 -0.000 -2.950) 11.673 3.823 ( 0.018 0.000 3.494) 3.494 3.985 ( -4.518 -0.000 1.439) 4.742 4.262 ( -4.219 -0.000 7.384) 8.504 4.371 ( 4.621 0.000 -0.582) 4.657 4.501 ( 2.936 0.000 4.516) 5.386 4.680 ( 1.238 0.000 2.928) 3.179 4.686 ( -2.958 -0.000 -1.583) 3.355 5.072 ( 2.487 0.000 -5.388) 5.934 5.127 ( -3.710 -0.000 3.824) 5.327 5.343 ( 5.376 0.000 4.421) 6.960 5.588 ( -4.358 -0.000 -6.603) 7.911 5.646 ( -1.871 -0.000 0.313) 1.897 5.728 ( 1.584 0.000 -3.633) 3.963 6.048 ( 5.971 0.000 0.424) 5.986 6.167 ( 6.821 0.000 2.996) 7.450 6.263 ( 2.739 0.000 -2.974) 4.043 6.430 ( 1.166 0.000 -8.354) 8.435 6.497 ( 8.502 0.000 0.988) 8.559 6.566 ( -7.947 -0.000 2.865) 8.447 6.576 ( 5.901 0.000 10.736) 12.251 7.053 ( -4.997 -0.000 -10.734) 11.840 7.176 ( -1.056 -0.000 7.131) 7.209 7.243 ( -4.553 -0.000 -3.435) 5.703 7.451 ( 12.300 0.000 -6.252) 13.797 7.555 ( 4.565 0.000 6.040) 7.571 7.632 ( 2.718 0.000 8.834) 9.242 7.889 ( 2.388 0.000 -1.337) 2.736 7.968 ( 0.208 0.000 -4.612) 4.617 8.029 ( -4.949 -0.000 6.880) 8.475 8.205 ( 2.879 0.000 -3.982) 4.914 8.353 ( 0.925 0.000 -1.248) 1.553 8.836 ( 5.973 0.000 -3.399) 6.872 8.939 ( -6.332 -0.000 2.643) 6.861 9.074 ( -15.659 -0.000 -2.776) 15.903 9.167 ( -7.505 -0.000 -8.528) 11.360 9.802 ( -4.973 -0.000 8.375) 9.740 9.824 ( 3.115 0.000 -5.614) 6.420 10.076 ( -1.910 -0.000 3.913) 4.354 10.590 ( 1.565 0.000 -1.566) 2.214 10.829 ( -11.698 -0.000 -21.261) 24.267 11.028 ( -5.672 -0.000 5.050) 7.594 11.608 ( 5.947 0.000 12.196) 13.569 11.813 ( -0.754 -0.000 -5.927) 5.975 12.743 ( 5.865 0.000 -1.684) 6.102 12.752 ( 1.467 0.000 3.053) 3.387 13.770 ( -5.432 -0.000 -2.730) 6.079 13.963 ( 8.398 0.000 -1.909) 8.612 14.748 ( -13.716 -0.000 -48.083) 50.001 15.253 ( 12.738 0.000 10.344) 16.409 16.096 ( -3.245 -0.000 1.535) 3.590 16.565 ( -21.570 -0.000 13.209) 25.293 19.195 ( 0.543 0.000 0.236) 0.592 19.276 ( 17.098 0.000 -3.516) 17.455 19.982 ( -2.271 -0.000 -11.837) 12.053 20.654 ( 7.383 0.000 26.384) 27.397 22.431 ( -1.435 -0.000 1.792) 2.295 22.497 ( 0.486 0.000 -1.859) 1.921 ======================= Grid point 208 (87/141) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 7.001 0.000 28.787) 29.626 1.176 ( -4.837 -0.000 26.700) 27.135 1.760 ( 2.703 0.000 -23.995) 24.147 1.827 ( -5.821 -0.000 -28.696) 29.280 1.962 ( 0.110 0.000 37.177) 37.177 2.555 ( 3.774 0.000 -15.484) 15.937 3.123 ( 3.073 0.000 0.254) 3.083 3.273 ( -5.034 -0.000 -10.642) 11.772 3.771 ( 8.981 0.000 6.662) 11.182 3.884 ( -10.577 -0.000 -2.183) 10.800 4.032 ( 3.932 0.000 7.501) 8.469 4.241 ( -2.927 -0.000 -10.410) 10.814 4.279 ( 1.616 0.000 9.610) 9.744 4.469 ( -2.007 -0.000 -6.969) 7.252 4.734 ( 4.141 0.000 10.082) 10.900 4.783 ( -3.330 -0.000 3.579) 4.889 4.980 ( 1.120 0.000 0.400) 1.189 5.030 ( -1.977 -0.000 -4.352) 4.780 5.345 ( 2.758 0.000 -1.985) 3.398 5.406 ( -2.994 -0.000 -7.064) 7.672 5.769 ( 1.605 0.000 4.309) 4.599 5.810 ( 0.244 0.000 1.870) 1.886 6.049 ( -5.822 -0.000 -3.524) 6.805 6.099 ( 4.452 0.000 -5.621) 7.170 6.331 ( 1.398 0.000 1.729) 2.223 6.360 ( -3.096 -0.000 -0.643) 3.162 6.495 ( 7.120 0.000 4.189) 8.261 6.603 ( -4.558 -0.000 -6.132) 7.641 6.908 ( -11.300 -0.000 6.264) 12.920 6.912 ( 5.038 0.000 4.151) 6.528 7.166 ( 9.701 0.000 2.044) 9.914 7.287 ( -5.265 -0.000 -5.812) 7.842 7.590 ( -3.458 -0.000 9.600) 10.204 7.793 ( 3.083 0.000 -6.293) 7.008 7.851 ( 6.156 0.000 1.178) 6.268 7.874 ( -10.102 -0.000 -1.558) 10.221 7.966 ( 4.194 0.000 -2.066) 4.675 7.969 ( 2.527 0.000 -1.764) 3.081 8.176 ( -12.198 -0.000 3.148) 12.597 8.242 ( 9.362 0.000 -2.971) 9.822 8.806 ( -3.140 -0.000 -0.039) 3.140 8.827 ( 5.902 0.000 -1.204) 6.024 8.920 ( -6.520 -0.000 4.845) 8.123 9.026 ( 8.651 0.000 -4.882) 9.933 9.785 ( -6.430 -0.000 3.644) 7.391 9.835 ( 4.976 0.000 -1.565) 5.216 10.250 ( 0.391 0.000 7.908) 7.917 10.424 ( -1.355 -0.000 -8.543) 8.650 10.834 ( 15.356 0.000 0.392) 15.361 10.846 ( -8.571 -0.000 -0.718) 8.601 11.852 ( 6.472 0.000 0.665) 6.506 11.858 ( -8.087 -0.000 0.205) 8.090 12.787 ( -2.906 -0.000 0.569) 2.961 12.808 ( 4.122 0.000 -1.501) 4.386 13.856 ( -1.157 -0.000 6.869) 6.966 13.995 ( 1.058 0.000 -6.047) 6.139 15.551 ( -23.435 -0.000 3.092) 23.638 15.621 ( 48.837 0.000 -3.487) 48.961 16.043 ( 13.525 0.000 0.136) 13.525 16.044 ( -10.844 -0.000 0.013) 10.844 19.296 ( 0.887 0.000 4.418) 4.506 19.395 ( -1.406 -0.000 -4.787) 4.989 20.122 ( 21.334 0.000 1.631) 21.396 20.147 ( -37.359 -0.000 -0.764) 37.367 22.438 ( -1.534 -0.000 1.728) 2.311 22.475 ( 1.513 0.000 -1.702) 2.277 ======================= Grid point 209 (88/141) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 7.857 6.258 15.867) 18.779 1.400 ( 13.426 0.054 20.288) 24.328 1.603 ( 3.034 6.510 -17.993) 19.374 1.820 ( 14.242 -2.374 -18.113) 23.164 2.258 ( 7.607 -12.582 27.763) 31.416 2.584 ( 8.187 -5.622 -22.365) 24.471 3.203 ( 0.489 -1.390 -10.131) 10.238 3.241 ( 8.149 -0.726 7.232) 10.920 3.717 ( -6.448 -0.043 -2.628) 6.963 3.951 ( 8.405 2.442 7.847) 11.756 4.135 ( -2.554 -1.328 -7.922) 8.429 4.152 ( 2.763 -2.229 3.960) 5.318 4.396 ( 4.432 -0.281 5.259) 6.883 4.458 ( 3.672 -6.050 -3.405) 7.854 4.727 ( -3.327 -0.386 -0.024) 3.349 4.856 ( 5.047 -0.620 6.595) 8.328 4.955 ( -3.996 -0.792 -5.132) 6.552 5.047 ( 3.241 -0.645 5.559) 6.467 5.305 ( -4.280 0.390 -7.438) 8.591 5.380 ( 1.114 0.090 1.524) 1.890 5.780 ( -2.023 2.713 -1.205) 3.593 5.806 ( 0.067 0.032 1.049) 1.052 5.922 ( -6.004 3.528 1.875) 7.212 6.099 ( -0.270 3.127 -4.042) 5.118 6.288 ( -1.708 5.023 1.217) 5.443 6.353 ( 1.939 2.218 0.632) 3.013 6.506 ( -1.975 3.955 -6.724) 8.047 6.638 ( 6.916 -0.296 3.252) 7.648 6.706 ( -12.708 3.783 5.961) 14.537 6.975 ( -1.831 -3.460 4.351) 5.853 7.141 ( -5.421 1.718 -8.556) 10.273 7.283 ( 3.666 2.597 2.666) 5.224 7.571 ( -6.718 -1.174 9.130) 11.396 7.695 ( -10.127 -1.239 -2.341) 10.468 7.787 ( 2.866 3.713 -2.200) 5.181 7.842 ( -3.360 -2.073 -2.468) 4.656 8.025 ( -8.279 -5.121 3.331) 10.289 8.085 ( 7.164 -1.984 -1.125) 7.518 8.190 ( 16.433 -2.230 -3.635) 16.978 8.340 ( 2.684 -1.893 0.500) 3.322 8.748 ( -2.856 5.557 0.030) 6.248 8.856 ( -2.963 -3.886 1.585) 5.137 8.944 ( 8.977 0.140 -2.586) 9.344 9.114 ( 7.177 1.870 -5.582) 9.282 9.712 ( -5.491 -1.418 3.465) 6.646 9.910 ( 4.842 0.137 -0.411) 4.861 10.284 ( -0.059 1.507 9.077) 9.202 10.351 ( -1.705 1.643 -7.927) 8.273 10.742 ( -3.567 -1.766 -4.576) 6.065 11.067 ( 13.253 -1.469 -3.860) 13.881 11.735 ( -7.723 -0.365 1.626) 7.900 11.972 ( 7.825 0.330 1.194) 7.923 12.717 ( -5.623 1.089 -0.361) 5.739 12.850 ( 3.217 1.579 -1.606) 3.927 13.823 ( -5.134 1.369 6.777) 8.611 13.912 ( -6.982 1.596 -6.996) 10.012 15.028 ( -28.646 3.161 -9.470) 30.336 15.807 ( -1.118 -2.056 -7.659) 8.008 16.028 ( 4.980 2.632 -0.862) 5.698 16.693 ( 53.638 9.953 -17.325) 57.239 19.067 ( -20.106 27.760 12.152) 36.366 19.341 ( 4.158 4.664 4.185) 7.521 19.768 ( -26.117 -26.765 -0.528) 37.400 20.469 ( 14.345 -5.262 8.345) 17.410 22.429 ( -1.206 -0.998 1.523) 2.184 22.498 ( 1.678 -1.006 -1.485) 2.456 ======================= Grid point 210 (89/141) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 6.237 8.442 -20.564) 23.088 1.613 ( 12.561 7.846 13.974) 20.363 1.888 ( 17.651 -6.483 18.314) 26.248 2.026 ( 14.204 -5.556 -11.518) 19.113 2.646 ( 10.406 -13.541 10.306) 19.946 2.735 ( 15.287 -7.582 -16.284) 23.587 3.148 ( -2.247 0.879 -8.878) 9.200 3.445 ( 9.848 -0.577 10.732) 14.577 3.693 ( 3.285 -1.070 0.286) 3.466 3.976 ( -3.487 1.856 -3.806) 5.486 4.088 ( -0.045 -3.869 -5.277) 6.543 4.269 ( 3.997 -2.235 5.504) 7.160 4.512 ( 7.210 -1.775 -0.198) 7.428 4.574 ( 0.036 -3.522 6.630) 7.507 4.753 ( 7.733 -2.410 -4.278) 9.160 4.837 ( -5.800 -1.975 -6.519) 8.947 4.981 ( 3.678 1.731 4.346) 5.951 5.130 ( 2.448 1.321 9.287) 9.694 5.222 ( -1.750 -3.446 -5.872) 7.029 5.396 ( 0.449 0.159 3.389) 3.422 5.623 ( -7.138 7.343 -7.229) 12.535 5.787 ( -3.736 3.468 4.759) 6.974 5.877 ( 0.858 0.170 4.669) 4.750 5.995 ( -2.883 5.799 -3.865) 7.542 6.225 ( -1.338 7.266 2.696) 7.865 6.334 ( -1.942 3.614 -0.440) 4.126 6.392 ( -2.191 4.220 -5.775) 7.480 6.557 ( -2.303 4.272 5.209) 7.120 6.736 ( 1.779 0.135 3.291) 3.743 6.933 ( -5.744 -0.991 -4.108) 7.131 7.075 ( 0.274 -2.193 -1.726) 2.804 7.272 ( -1.152 3.285 0.880) 3.591 7.468 ( -10.227 -1.506 4.931) 11.453 7.570 ( -8.621 -3.628 1.379) 9.454 7.773 ( 1.089 3.798 -0.835) 4.038 7.836 ( 2.814 1.264 -4.874) 5.769 7.998 ( -6.739 -10.348 2.982) 12.703 8.203 ( 5.777 -0.955 -1.718) 6.102 8.317 ( -1.116 -0.189 0.972) 1.492 8.460 ( 6.965 -3.057 -3.311) 8.295 8.612 ( -3.901 7.893 1.787) 8.984 8.924 ( 3.827 -5.549 0.027) 6.740 9.065 ( 9.528 1.521 -4.043) 10.462 9.207 ( 11.186 2.675 -4.045) 12.191 9.674 ( -4.783 -4.004 4.095) 7.462 9.971 ( 2.462 0.051 0.915) 2.627 10.263 ( -1.014 3.411 -5.834) 6.834 10.331 ( 1.522 0.861 9.500) 9.659 10.727 ( 2.324 -2.220 -5.872) 6.694 11.240 ( 8.825 -1.947 -4.165) 9.951 11.638 ( -7.149 -1.522 3.226) 7.989 12.076 ( 5.196 0.697 -4.152) 6.688 12.587 ( -6.820 3.602 0.203) 7.715 12.867 ( 1.874 1.911 -0.912) 2.828 13.715 ( -8.999 0.656 -6.496) 11.118 13.754 ( -4.864 1.677 5.312) 7.395 14.632 ( -12.112 2.133 -9.119) 15.310 15.722 ( -6.858 -2.870 -11.325) 13.547 16.117 ( 9.298 2.013 -0.099) 9.514 17.184 ( 38.654 19.455 -20.532) 47.898 18.559 ( -25.294 14.868 24.398) 38.159 19.366 ( 4.910 10.873 2.966) 12.294 19.681 ( -15.999 -24.584 -5.148) 29.780 20.729 ( 6.813 -4.808 8.432) 11.859 22.433 ( -0.709 -1.427 1.299) 2.055 22.532 ( 1.507 -1.792 -1.112) 2.592 ======================= Grid point 211 (90/141) ======================= q-point: ( 0.30 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 13.376 1.744 -9.464) 16.478 1.815 ( 13.414 5.051 10.423) 17.723 2.224 ( 10.080 -10.061 -9.948) 17.372 2.309 ( 12.539 -6.898 15.662) 21.216 2.861 ( -4.191 -6.828 -6.950) 10.606 2.952 ( 15.152 -1.445 -8.603) 17.484 3.162 ( 9.397 -2.959 0.360) 9.859 3.622 ( 6.074 1.039 7.724) 9.882 3.792 ( 4.424 -2.101 1.896) 5.252 3.866 ( -3.961 1.344 -6.995) 8.150 4.109 ( -1.548 -5.227 -4.005) 6.764 4.364 ( 2.812 -3.012 2.092) 4.621 4.538 ( -2.392 -2.523 1.945) 3.984 4.697 ( -3.748 -0.338 -5.484) 6.651 4.726 ( 10.311 4.205 4.583) 12.042 4.918 ( 6.041 -3.304 -11.033) 13.006 4.965 ( -2.904 -0.576 6.311) 6.971 5.211 ( 5.259 1.069 5.013) 7.344 5.263 ( 0.236 -1.362 1.536) 2.066 5.417 ( -2.397 4.770 -5.536) 7.691 5.459 ( 3.868 -2.256 4.149) 6.105 5.680 ( -5.748 8.101 5.855) 11.530 5.849 ( -1.728 7.311 2.135) 7.810 6.001 ( 4.429 -5.902 -0.185) 7.382 6.105 ( -3.607 8.920 2.241) 9.879 6.274 ( -3.711 4.723 -3.262) 6.835 6.287 ( 0.928 5.495 0.424) 5.589 6.550 ( -1.608 -1.126 0.795) 2.118 6.688 ( -8.347 -1.116 -0.207) 8.424 6.872 ( 1.043 1.946 0.019) 2.208 7.112 ( 1.607 -2.075 -2.511) 3.632 7.206 ( -5.825 -0.802 -2.188) 6.274 7.385 ( -4.285 -1.227 6.533) 7.909 7.495 ( -8.439 -6.064 3.949) 11.117 7.742 ( 5.350 10.069 -5.246) 12.551 7.826 ( 1.979 2.496 -4.882) 5.830 8.022 ( -6.091 -10.469 2.960) 12.468 8.260 ( -0.672 -2.389 0.221) 2.491 8.289 ( -1.200 0.646 0.531) 1.463 8.394 ( -5.532 5.315 -1.843) 7.890 8.588 ( 1.327 1.695 0.089) 2.154 9.029 ( 2.265 -4.032 -2.419) 5.219 9.212 ( 12.872 1.759 -2.275) 13.189 9.363 ( 11.565 2.413 -1.575) 11.919 9.692 ( -1.286 -7.451 3.205) 8.212 9.991 ( -1.084 -0.116 2.995) 3.187 10.197 ( 0.088 3.611 -3.668) 5.148 10.409 ( 2.337 -0.097 9.703) 9.981 10.798 ( 7.296 -0.862 -3.332) 8.067 11.343 ( 3.897 -1.880 -3.971) 5.873 11.562 ( -6.899 -1.767 4.182) 8.259 12.042 ( -3.089 -0.782 -14.779) 15.119 12.476 ( -2.569 5.327 3.668) 6.959 12.864 ( 0.610 2.113 -0.048) 2.200 13.629 ( -0.617 -0.879 1.805) 2.100 13.698 ( -2.501 0.820 2.713) 3.780 14.471 ( -3.553 0.724 -3.638) 5.137 15.539 ( -9.491 -0.194 -16.250) 18.820 16.270 ( 9.923 -0.758 0.634) 9.972 17.380 ( 22.618 22.721 -12.642) 34.463 18.238 ( -17.984 1.364 19.603) 26.638 19.295 ( -0.125 11.439 -0.195) 11.442 19.685 ( -8.180 -18.146 -2.624) 20.077 20.873 ( 3.060 -2.808 5.309) 6.740 22.446 ( -0.170 -1.429 0.975) 1.738 22.565 ( 0.949 -1.784 -0.714) 2.143 ======================= Grid point 212 (91/141) ======================= q-point: ( 0.40 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 13.936 -3.100 2.071) 14.426 2.019 ( 9.492 2.437 8.501) 12.973 2.410 ( 7.462 -9.199 -11.459) 16.480 2.495 ( -5.525 -3.188 2.953) 7.029 2.843 ( 6.358 -3.269 2.639) 7.621 3.128 ( 6.045 0.839 1.390) 6.259 3.310 ( 4.707 -2.179 -4.983) 7.193 3.668 ( -1.211 1.683 -2.858) 3.531 3.774 ( -1.203 1.086 -2.414) 2.907 3.882 ( 1.868 -4.401 0.247) 4.787 4.031 ( -6.071 3.324 -4.632) 8.328 4.453 ( -1.130 -7.780 2.356) 8.207 4.557 ( 2.920 1.983 1.357) 3.781 4.654 ( 2.332 -1.193 -1.447) 2.993 4.858 ( 8.105 5.556 -1.412) 9.927 4.879 ( -3.549 -1.778 0.032) 3.970 5.044 ( 3.366 -1.370 -1.764) 4.039 5.193 ( 0.164 1.462 2.164) 2.617 5.356 ( 5.698 -3.194 4.102) 7.713 5.431 ( -0.671 -2.226 -0.708) 2.430 5.515 ( -0.616 7.625 1.936) 7.891 5.613 ( 5.853 -1.692 4.623) 7.648 5.758 ( -1.997 7.416 1.091) 7.758 5.982 ( -1.317 10.007 5.049) 11.286 6.120 ( -4.829 1.599 1.415) 5.280 6.171 ( 4.119 -1.695 -7.284) 8.538 6.270 ( 0.431 -0.061 3.265) 3.294 6.461 ( -7.029 -2.603 -5.674) 9.401 6.629 ( -2.134 -2.589 1.091) 3.528 6.879 ( -0.069 1.717 2.768) 3.258 7.091 ( -7.777 -3.672 -3.761) 9.387 7.128 ( 1.298 0.421 -4.018) 4.244 7.400 ( -2.586 -2.237 10.235) 10.791 7.452 ( -6.696 -5.445 3.835) 9.444 7.712 ( 9.657 12.776 -8.763) 18.256 7.829 ( 4.599 3.704 -1.985) 6.230 8.012 ( -6.972 -6.912 1.180) 9.888 8.217 ( -5.563 1.814 0.457) 5.870 8.260 ( -2.146 -3.125 2.069) 4.318 8.329 ( 2.750 2.019 -4.723) 5.827 8.570 ( -1.721 1.618 2.193) 3.223 9.056 ( -0.217 -1.261 -1.291) 1.818 9.335 ( 5.260 2.172 -3.581) 6.723 9.502 ( 7.619 -0.922 1.264) 7.778 9.806 ( 4.375 -5.777 -0.912) 7.304 9.976 ( -2.894 -0.697 3.530) 4.618 10.162 ( 0.578 2.659 -0.009) 2.721 10.487 ( 1.067 -1.053 9.177) 9.298 10.934 ( 10.675 1.688 0.764) 10.834 11.355 ( -3.609 -3.725 -4.156) 6.646 11.478 ( -4.861 2.358 0.520) 5.427 11.932 ( -3.160 -3.630 -12.551) 13.442 12.411 ( -1.593 4.273 1.340) 4.753 12.851 ( -0.146 1.718 1.159) 2.078 13.634 ( -0.757 1.501 2.198) 2.767 13.743 ( 4.212 -2.042 5.403) 7.149 14.462 ( 2.558 -1.306 3.113) 4.236 15.277 ( -11.132 1.629 -20.505) 23.389 16.426 ( 7.207 -0.831 1.034) 7.328 17.368 ( 3.823 14.819 1.806) 15.411 18.143 ( -2.260 -1.670 4.268) 5.110 19.176 ( -2.585 6.078 -0.830) 6.657 19.721 ( -4.410 -9.935 -0.112) 10.870 20.947 ( 2.050 -0.708 2.395) 3.231 22.462 ( 0.248 -0.967 0.483) 1.109 22.587 ( 0.245 -1.007 -0.299) 1.079 ======================= Grid point 213 (92/141) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 3.672 -2.480 2.026) 4.872 2.098 ( -0.507 3.149 10.789) 11.251 2.356 ( -6.936 3.047 -5.941) 9.628 2.514 ( 1.103 -5.336 -7.320) 9.125 3.057 ( 7.708 -4.149 9.733) 13.090 3.169 ( 0.570 -1.062 2.595) 2.861 3.281 ( -3.844 3.336 -9.565) 10.835 3.575 ( -4.427 0.261 -4.561) 6.361 3.751 ( -0.737 -0.927 -1.826) 2.176 3.909 ( -0.372 4.516 -0.356) 4.546 3.948 ( 0.939 -4.350 -2.314) 5.016 4.481 ( -2.513 -2.596 2.814) 4.580 4.580 ( 0.805 0.987 0.444) 1.349 4.706 ( 1.750 4.374 2.673) 5.416 4.832 ( -3.618 -2.270 -2.414) 4.906 4.901 ( 4.224 3.399 -1.666) 5.672 5.053 ( 1.801 0.585 -3.532) 4.007 5.274 ( -4.235 2.896 5.571) 7.573 5.317 ( -2.020 -3.496 8.755) 9.641 5.509 ( 0.659 -7.174 3.246) 7.901 5.542 ( 6.787 2.749 -9.798) 12.232 5.639 ( -0.530 4.725 0.085) 4.756 5.751 ( 1.863 -1.778 2.435) 3.544 5.922 ( 2.079 8.751 8.417) 12.319 6.016 ( -1.459 1.171 -0.444) 1.923 6.132 ( -1.534 0.570 -3.350) 3.728 6.385 ( -3.416 -5.020 -6.311) 8.758 6.408 ( 5.451 -4.301 -0.745) 6.983 6.637 ( 1.034 -0.623 -1.341) 1.804 6.857 ( -2.035 -0.599 2.331) 3.152 7.029 ( -2.417 -3.081 -1.661) 4.254 7.127 ( 2.610 0.815 -5.406) 6.058 7.407 ( -12.811 -11.133 14.788) 22.511 7.426 ( 0.050 2.575 2.501) 3.591 7.715 ( 11.009 11.462 -10.334) 18.957 7.867 ( 3.050 2.636 -0.615) 4.078 7.965 ( -2.485 -0.708 1.083) 2.802 8.173 ( 1.616 -1.620 -2.398) 3.315 8.268 ( -1.646 -2.149 1.273) 2.991 8.331 ( 2.700 2.271 -4.431) 5.664 8.537 ( -2.666 1.272 5.260) 6.033 9.047 ( -1.583 -0.175 0.967) 1.863 9.343 ( -0.375 -1.187 -3.490) 3.706 9.594 ( 1.208 -0.634 -0.389) 1.419 9.854 ( -2.086 0.518 0.902) 2.331 9.975 ( 0.751 -1.640 0.046) 1.805 10.161 ( 0.667 0.906 1.261) 1.689 10.551 ( 0.087 -1.339 8.074) 8.185 11.090 ( 9.115 3.327 2.623) 10.051 11.253 ( -8.465 -2.096 -4.462) 9.796 11.406 ( 0.371 1.911 -2.948) 3.533 11.890 ( -1.683 -2.389 -5.853) 6.542 12.371 ( -0.022 0.371 -0.256) 0.452 12.838 ( -0.869 1.011 2.332) 2.686 13.631 ( 1.194 0.530 0.398) 1.366 13.838 ( 1.972 -1.176 3.150) 3.897 14.613 ( 8.927 -3.191 10.665) 14.270 14.973 ( -11.297 1.843 -22.218) 24.993 16.496 ( 1.322 2.456 1.145) 3.015 17.277 ( -8.617 0.959 10.916) 13.940 18.209 ( 10.192 0.717 -7.375) 12.601 19.112 ( -1.618 -1.033 0.305) 1.944 19.727 ( -3.552 -3.081 1.647) 4.982 20.982 ( 2.123 1.478 0.341) 2.609 22.475 ( 0.484 -0.115 -0.165) 0.524 22.590 ( -0.380 0.121 0.213) 0.452 ======================= Grid point 214 (93/141) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -16.722 3.288 -4.089) 17.526 2.054 ( -11.378 10.626 12.411) 19.910 2.231 ( 0.465 0.428 -2.732) 2.805 2.528 ( 1.883 -3.053 -4.023) 5.390 3.059 ( -10.238 3.936 -14.067) 17.838 3.134 ( -8.151 1.520 3.556) 9.022 3.215 ( -0.752 -0.791 4.379) 4.513 3.540 ( -0.088 -4.470 5.006) 6.712 3.748 ( -1.118 -0.490 0.091) 1.224 3.923 ( 5.208 2.271 -2.006) 6.025 3.986 ( 1.128 -3.992 -1.443) 4.392 4.456 ( -1.706 4.579 2.731) 5.598 4.567 ( -0.659 1.175 0.077) 1.349 4.628 ( -6.520 2.220 2.214) 7.235 4.782 ( -1.598 3.272 0.802) 3.728 4.902 ( -0.162 2.801 -2.030) 3.463 5.061 ( 0.933 1.328 -0.443) 1.682 5.181 ( -4.685 -1.760 5.506) 7.441 5.381 ( -1.795 -5.885 -1.527) 6.340 5.445 ( -3.017 8.675 -2.528) 9.526 5.582 ( 1.614 -4.092 -1.176) 4.554 5.669 ( -4.390 -6.662 2.459) 8.349 5.757 ( 1.009 -3.020 -3.089) 4.436 5.982 ( 6.715 2.885 4.083) 8.372 6.098 ( 7.068 -1.856 4.041) 8.350 6.143 ( 3.162 -0.943 -1.472) 3.613 6.337 ( 1.511 1.388 -4.247) 4.717 6.479 ( -2.207 -7.807 -7.479) 11.034 6.659 ( 3.974 2.570 -1.860) 5.085 6.885 ( -0.442 -4.631 2.198) 5.145 7.044 ( 3.065 -0.119 -0.497) 3.108 7.152 ( 3.752 -0.546 -5.707) 6.852 7.373 ( -6.086 -2.968 6.085) 9.103 7.421 ( -7.408 -7.005 13.557) 16.963 7.730 ( 10.548 10.028 -11.882) 18.788 7.828 ( -4.247 -1.386 -0.464) 4.491 8.007 ( 7.637 5.852 1.810) 9.790 8.244 ( -0.250 -1.268 1.741) 2.168 8.267 ( 3.589 -2.323 -2.582) 4.994 8.332 ( 4.030 2.964 -5.356) 7.329 8.517 ( -2.246 0.498 7.283) 7.638 9.022 ( -2.261 0.427 1.889) 2.977 9.312 ( -5.947 -3.918 -1.923) 7.377 9.537 ( -7.468 0.093 -1.859) 7.696 9.791 ( -2.602 2.886 0.905) 3.990 10.006 ( 1.425 -0.234 -0.033) 1.445 10.165 ( 0.213 1.111 0.998) 1.509 10.583 ( -0.795 -0.405 2.992) 3.122 11.018 ( -10.231 -0.381 -8.628) 13.389 11.252 ( 4.609 5.206 5.605) 8.931 11.446 ( 5.721 -2.120 1.581) 6.303 11.839 ( -2.205 1.631 -3.345) 4.326 12.413 ( 2.472 -4.349 0.351) 5.014 12.826 ( -1.343 0.392 3.177) 3.471 13.672 ( 3.996 -0.920 -1.062) 4.236 13.846 ( -2.403 -0.627 -2.309) 3.391 14.669 ( -9.031 1.044 -17.986) 20.153 14.905 ( 12.063 -3.658 13.795) 18.687 16.432 ( -4.587 5.229 0.670) 6.988 17.181 ( -16.149 -8.106 15.062) 23.524 18.372 ( 16.785 0.117 -12.973) 21.215 19.155 ( 0.719 -8.493 0.978) 8.580 19.684 ( -3.205 3.109 3.176) 5.479 20.991 ( 2.603 3.635 -1.332) 4.665 22.478 ( 0.606 0.777 -0.840) 1.295 22.575 ( -0.859 1.248 0.724) 1.679 ======================= Grid point 215 (94/141) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -22.224 5.186 -0.756) 22.833 1.786 ( -13.270 12.645 14.680) 23.484 2.177 ( -5.589 -2.681 -7.402) 9.655 2.590 ( 1.817 3.192 -4.240) 5.610 2.783 ( -11.390 1.111 -9.629) 14.956 2.826 ( -23.089 7.464 3.963) 24.587 3.172 ( -5.247 0.350 2.436) 5.795 3.670 ( 3.611 -5.160 4.618) 7.810 3.728 ( -1.027 1.247 3.295) 3.670 3.890 ( -5.095 -0.415 -7.901) 9.410 4.060 ( 2.163 2.253 1.862) 3.636 4.363 ( -2.418 4.630 3.038) 6.042 4.541 ( -3.736 -3.288 1.661) 5.247 4.595 ( 2.774 2.328 4.637) 5.884 4.729 ( 0.461 7.421 2.878) 7.973 4.823 ( -5.517 0.012 -3.800) 6.699 5.023 ( -1.555 4.974 -0.094) 5.212 5.244 ( 2.187 -6.568 5.452) 8.812 5.319 ( -1.870 5.816 1.776) 6.362 5.382 ( -0.309 -4.773 -9.798) 10.903 5.556 ( -4.959 -2.598 -4.663) 7.286 5.760 ( 2.259 -9.547 3.896) 10.556 5.801 ( -0.006 -3.630 0.609) 3.681 6.050 ( 1.445 0.297 -3.548) 3.843 6.163 ( 5.308 -0.054 -2.371) 5.814 6.246 ( 5.317 -3.282 -2.432) 6.705 6.385 ( 2.371 -0.853 -5.619) 6.158 6.528 ( 4.470 -6.133 3.077) 8.189 6.683 ( 3.132 2.223 -0.700) 3.904 6.890 ( -5.298 -5.263 -1.821) 7.686 7.110 ( 3.614 0.270 -1.982) 4.131 7.191 ( 2.472 -2.438 -1.431) 3.755 7.343 ( 0.010 2.583 4.331) 5.042 7.497 ( -1.756 -10.104 13.827) 17.215 7.731 ( 8.473 8.639 -11.652) 16.799 7.806 ( -0.887 -2.294 0.434) 2.498 8.055 ( 6.103 8.789 0.192) 10.702 8.213 ( -2.105 1.686 1.719) 3.199 8.323 ( 2.899 2.005 -2.070) 4.087 8.369 ( -0.171 -0.185 4.279) 4.287 8.555 ( 4.503 -3.032 0.434) 5.446 8.986 ( -2.330 1.080 1.527) 2.988 9.189 ( -13.239 -3.855 -0.789) 13.812 9.358 ( -13.485 0.092 -0.783) 13.508 9.758 ( 3.135 3.659 -2.393) 5.380 10.019 ( 0.506 1.495 0.815) 1.777 10.156 ( -0.452 1.302 1.471) 2.016 10.564 ( -1.236 0.299 -3.167) 3.413 10.805 ( -10.999 0.389 -6.938) 13.011 11.248 ( -2.790 3.218 5.056) 6.611 11.611 ( 8.829 -1.387 3.719) 9.680 11.790 ( 0.386 2.371 2.957) 3.810 12.513 ( 2.271 -6.875 0.010) 7.241 12.821 ( -0.936 0.046 3.539) 3.661 13.754 ( -5.781 0.115 -7.749) 9.668 13.760 ( 6.180 -1.969 -3.023) 7.156 14.483 ( -4.535 -0.050 -8.139) 9.317 15.211 ( 12.759 -2.437 14.712) 19.626 16.282 ( -7.582 4.427 -0.191) 8.782 17.045 ( -22.448 -10.171 16.752) 29.799 18.608 ( 17.693 -4.553 -12.997) 22.421 19.300 ( 1.940 -15.729 -1.109) 15.887 19.603 ( -0.594 10.319 4.866) 11.424 20.980 ( 2.874 5.395 -3.729) 7.161 22.472 ( 0.736 1.281 -1.347) 1.999 22.546 ( -1.213 2.141 1.024) 2.666 ======================= Grid point 216 (95/141) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -17.272 -1.441 12.871) 21.589 1.540 ( -12.923 12.215 19.356) 26.284 2.065 ( -8.770 -3.578 -5.655) 11.031 2.318 ( -20.333 0.749 -12.253) 23.752 2.364 ( -21.350 7.950 -1.652) 22.842 2.698 ( 0.043 9.918 4.509) 10.896 3.132 ( -1.007 -3.276 -3.614) 4.980 3.656 ( -6.870 -2.214 -4.490) 8.500 3.719 ( -8.974 0.989 -4.522) 10.097 3.803 ( 5.452 3.117 6.452) 9.004 4.034 ( -0.191 2.569 2.775) 3.787 4.353 ( 0.094 0.188 -0.913) 0.937 4.524 ( -5.233 -2.788 6.876) 9.080 4.640 ( -3.696 4.594 -2.285) 6.323 4.673 ( 3.888 3.356 6.232) 8.075 4.700 ( -4.839 2.819 -2.911) 6.312 4.985 ( 2.088 1.358 -0.714) 2.591 5.203 ( -3.960 5.078 -0.960) 6.511 5.351 ( -0.034 -2.613 -7.906) 8.327 5.467 ( 5.967 -5.932 3.702) 9.192 5.499 ( 0.049 -1.838 -4.478) 4.841 5.803 ( -2.542 -0.734 5.718) 6.301 5.922 ( 3.630 -8.442 -1.073) 9.252 6.041 ( 0.842 -5.140 -8.263) 9.767 6.272 ( 6.452 0.372 0.570) 6.487 6.328 ( 3.029 -1.093 -3.122) 4.485 6.389 ( -0.146 -4.355 -4.551) 6.301 6.624 ( 1.613 -2.879 -0.070) 3.301 6.783 ( 7.810 -0.063 6.878) 10.408 6.825 ( -5.959 -3.252 -3.167) 7.491 7.105 ( -1.751 -1.247 -3.583) 4.179 7.263 ( 1.276 -4.468 1.855) 5.003 7.407 ( 8.179 2.083 4.460) 9.546 7.647 ( 2.345 -4.697 6.821) 8.608 7.749 ( 8.442 3.822 -6.365) 11.242 7.822 ( 0.512 -1.019 -1.251) 1.693 8.036 ( 4.117 9.952 -0.379) 10.777 8.164 ( -2.157 2.421 -0.069) 3.244 8.289 ( -5.895 4.709 6.283) 9.818 8.366 ( -0.026 0.905 2.428) 2.591 8.690 ( 6.034 -5.906 -4.477) 9.557 8.936 ( -2.508 1.953 -0.532) 3.222 9.001 ( -13.063 -3.339 1.182) 13.534 9.135 ( -12.490 0.677 1.670) 12.620 9.772 ( 4.080 3.576 -4.418) 6.997 9.979 ( -2.737 4.152 0.392) 4.989 10.157 ( -0.057 -0.881 3.625) 3.731 10.517 ( -1.251 -0.024 -6.637) 6.754 10.632 ( -6.382 0.795 0.824) 6.484 11.154 ( -8.008 2.449 4.223) 9.379 11.710 ( 4.580 0.889 -3.696) 5.952 11.886 ( 5.013 -0.715 12.649) 13.624 12.610 ( 1.194 -8.273 -0.701) 8.388 12.829 ( -0.151 0.310 2.715) 2.736 13.650 ( -0.443 0.827 -2.126) 2.324 13.868 ( 6.868 -2.162 -5.062) 8.801 14.466 ( 3.565 -0.968 5.077) 6.279 15.476 ( 10.557 0.183 11.907) 15.914 16.127 ( -7.753 0.805 -0.696) 7.826 16.809 ( -28.389 -7.660 15.476) 33.229 18.889 ( 13.556 -11.752 -7.698) 19.523 19.437 ( -9.814 -17.574 -2.692) 20.308 19.584 ( 16.956 14.515 2.808) 22.496 20.923 ( -0.126 6.757 -8.713) 11.026 22.466 ( 0.905 1.236 -1.552) 2.180 22.506 ( -1.479 2.481 1.075) 3.082 ======================= Grid point 217 (96/141) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -3.062 -8.261 26.887) 28.294 1.303 ( -17.409 6.662 22.165) 28.961 1.900 ( -11.172 5.531 18.903) 22.644 1.981 ( -11.343 4.601 -13.989) 18.588 2.043 ( -10.186 -6.157 -19.048) 22.461 2.607 ( 0.854 8.497 -3.261) 9.141 3.123 ( -0.322 -0.561 -5.194) 5.235 3.464 ( -10.724 -0.033 -11.542) 15.756 3.654 ( 1.117 -0.612 3.049) 3.304 3.893 ( 4.281 2.151 9.951) 11.045 4.036 ( -1.257 0.469 2.049) 2.449 4.303 ( -4.693 -1.300 -4.927) 6.927 4.383 ( -8.996 4.573 -6.136) 11.811 4.544 ( -4.877 -0.303 -0.036) 4.887 4.641 ( 2.111 2.314 7.946) 8.541 4.760 ( 3.939 3.136 8.338) 9.741 5.005 ( -1.475 -2.827 -3.961) 5.085 5.084 ( -1.993 4.995 -1.888) 5.699 5.329 ( 1.384 -0.218 -7.001) 7.139 5.464 ( -1.102 -1.151 -6.164) 6.366 5.669 ( 6.134 -3.292 6.363) 9.431 5.799 ( -0.852 0.308 4.040) 4.140 6.023 ( 4.557 -4.072 -4.892) 7.827 6.101 ( -0.367 -6.917 -5.402) 8.784 6.303 ( 0.860 0.907 -1.286) 1.793 6.385 ( 4.892 1.202 1.200) 5.179 6.395 ( -3.127 -4.701 0.571) 5.675 6.695 ( -4.153 -4.475 -1.639) 6.322 6.786 ( 7.150 1.247 -1.426) 7.397 6.925 ( 3.951 -0.750 10.233) 10.995 7.074 ( -0.978 -2.025 -4.098) 4.674 7.325 ( -0.067 -3.037 0.639) 3.105 7.557 ( 6.739 0.523 4.833) 8.310 7.697 ( 1.374 -2.188 0.759) 2.692 7.810 ( 3.982 4.430 -4.749) 7.618 7.870 ( 5.043 -2.457 -2.804) 6.272 8.018 ( -1.902 1.563 3.150) 3.998 8.109 ( -4.219 7.711 2.065) 9.029 8.130 ( -0.685 2.614 -3.394) 4.339 8.330 ( -5.563 1.344 0.990) 5.808 8.780 ( 1.137 -3.512 -2.817) 4.644 8.858 ( -3.265 1.882 1.414) 4.025 8.925 ( -0.289 -3.176 0.441) 3.219 9.000 ( -5.588 1.226 3.725) 6.827 9.779 ( 3.239 1.300 -2.897) 4.536 9.881 ( -5.723 2.186 2.382) 6.573 10.199 ( 0.611 -1.214 6.287) 6.432 10.474 ( -0.391 -0.774 -8.386) 8.431 10.634 ( 6.636 1.652 5.743) 8.930 11.002 ( -10.072 1.575 2.585) 10.517 11.764 ( 5.030 0.412 -1.448) 5.250 11.953 ( -3.544 -0.672 3.372) 4.938 12.720 ( 3.859 -5.470 -0.243) 6.699 12.821 ( -1.177 0.927 0.994) 1.798 13.755 ( 8.147 -1.385 7.450) 11.126 13.960 ( 5.431 -1.394 -5.950) 8.175 14.771 ( 31.624 -3.497 15.637) 35.452 15.637 ( 4.220 2.195 8.279) 9.548 16.028 ( -5.354 -3.030 -0.613) 6.182 16.431 ( -32.132 -2.037 9.207) 33.487 19.170 ( 6.535 -14.101 -0.438) 15.548 19.392 ( -5.638 -5.789 0.097) 8.081 19.812 ( 20.728 4.091 -3.881) 21.481 20.690 ( -15.123 9.278 -13.099) 22.054 22.461 ( -0.597 1.062 0.568) 1.344 22.468 ( 0.111 1.351 -0.780) 1.564 ======================= Grid point 219 (97/141) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 6.915 0.000 -21.640) 22.719 1.705 ( 12.881 0.000 8.222) 15.281 1.835 ( 16.516 0.000 17.446) 24.024 1.982 ( 13.141 0.000 -5.596) 14.283 2.462 ( 12.080 0.000 14.103) 18.569 2.653 ( 17.982 0.000 -22.280) 28.631 3.170 ( 1.573 0.000 -6.845) 7.023 3.445 ( 10.184 0.000 12.505) 16.127 3.681 ( 2.707 0.000 0.475) 2.749 3.979 ( -5.279 -0.000 -11.623) 12.766 4.066 ( -1.322 -0.000 -0.735) 1.512 4.210 ( 0.663 0.000 6.583) 6.616 4.491 ( 8.156 0.000 0.817) 8.197 4.545 ( 6.478 0.000 8.123) 10.390 4.723 ( 3.512 0.000 -1.223) 3.719 4.824 ( -4.288 -0.000 -9.285) 10.227 5.007 ( 6.949 0.000 8.466) 10.953 5.140 ( 5.210 0.000 4.530) 6.904 5.189 ( -5.032 -0.000 -7.479) 9.014 5.401 ( -0.681 -0.000 4.335) 4.388 5.705 ( -6.864 -0.000 -7.900) 10.465 5.801 ( -0.328 -0.000 3.467) 3.482 5.890 ( -2.441 -0.000 5.016) 5.579 6.065 ( -5.255 -0.000 0.633) 5.293 6.288 ( -0.782 -0.000 -0.323) 0.846 6.367 ( -1.296 -0.000 -0.759) 1.502 6.422 ( -8.728 -0.000 -4.266) 9.715 6.651 ( 2.002 0.000 1.915) 2.770 6.726 ( -1.041 -0.000 5.013) 5.120 6.916 ( -1.355 -0.000 -3.064) 3.350 7.053 ( -2.565 -0.000 -0.849) 2.702 7.302 ( -3.618 -0.000 -0.569) 3.663 7.464 ( -12.767 -0.000 12.453) 17.835 7.533 ( -6.229 -0.000 -4.929) 7.943 7.791 ( 0.184 0.000 1.966) 1.974 7.857 ( 4.518 0.000 -7.709) 8.935 7.875 ( -6.838 -0.000 3.277) 7.582 8.198 ( 4.966 0.000 0.206) 4.971 8.355 ( 1.097 0.000 0.822) 1.371 8.386 ( 9.791 0.000 -6.215) 11.597 8.746 ( -2.651 -0.000 0.514) 2.700 8.814 ( 1.665 0.000 0.188) 1.675 9.080 ( 9.734 0.000 -3.448) 10.326 9.236 ( 10.929 0.000 -4.636) 11.872 9.633 ( -5.752 -0.000 4.147) 7.091 9.972 ( 2.598 0.000 0.072) 2.599 10.298 ( -1.264 -0.000 -6.916) 7.030 10.342 ( 1.125 0.000 9.683) 9.748 10.706 ( 3.209 0.000 -5.399) 6.281 11.220 ( 9.307 0.000 -4.343) 10.271 11.623 ( -7.367 -0.000 3.352) 8.093 12.083 ( 4.775 0.000 -4.160) 6.333 12.625 ( -6.602 -0.000 2.644) 7.112 12.885 ( 1.917 0.000 -2.809) 3.401 13.723 ( -10.504 -0.000 -7.248) 12.762 13.772 ( -5.447 -0.000 5.735) 7.910 14.654 ( -13.518 -0.000 -9.541) 16.546 15.691 ( -5.172 -0.000 -9.984) 11.244 16.131 ( 6.804 0.000 -1.629) 6.996 17.397 ( 41.733 0.000 -29.878) 51.326 18.873 ( -38.030 -0.000 20.450) 43.180 19.266 ( -4.591 -0.000 -2.301) 5.136 19.497 ( 1.221 0.000 10.294) 10.367 20.669 ( 7.968 0.000 9.394) 12.318 22.417 ( -0.660 -0.000 1.478) 1.619 22.511 ( 1.536 0.000 -1.519) 2.161 ======================= Grid point 220 (98/141) ======================= q-point: ( 0.20 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 16.299 8.488 -15.081) 23.772 1.919 ( 14.352 0.033 -5.368) 15.323 2.126 ( 12.022 3.058 6.136) 13.840 2.213 ( 13.471 -3.202 13.407) 19.274 2.692 ( 5.592 -7.933 -2.206) 9.954 2.904 ( 19.709 -2.561 -10.500) 22.478 3.186 ( 4.771 3.315 -0.492) 5.830 3.636 ( 5.153 0.086 11.261) 12.384 3.778 ( 5.728 1.006 1.650) 6.045 3.870 ( -0.954 -2.118 -8.896) 9.194 3.988 ( -6.347 -3.773 -2.721) 7.869 4.256 ( -1.441 -5.215 3.866) 6.650 4.555 ( 0.082 3.751 2.308) 4.405 4.656 ( -1.610 -3.804 -1.109) 4.276 4.766 ( 4.584 0.256 -1.900) 4.969 4.834 ( 8.775 -2.130 -4.575) 10.122 5.052 ( 0.473 5.644 -5.968) 8.227 5.187 ( 4.804 -4.413 2.652) 7.041 5.259 ( 5.756 2.372 8.565) 10.589 5.416 ( 0.110 -1.566 6.419) 6.608 5.537 ( -5.705 4.184 -7.169) 10.072 5.802 ( -2.687 4.217 6.034) 7.837 5.900 ( 0.761 -2.651 4.225) 5.046 5.949 ( -7.108 0.633 1.917) 7.389 6.208 ( -5.724 5.393 -2.818) 8.354 6.295 ( -3.238 -0.828 0.955) 3.476 6.373 ( 1.643 -1.734 -8.642) 8.966 6.637 ( -3.693 5.611 3.181) 7.432 6.677 ( -4.409 2.606 1.176) 5.254 6.872 ( -3.023 -1.598 1.205) 3.626 7.099 ( 6.257 0.163 -0.177) 6.262 7.182 ( -10.000 -0.680 -1.960) 10.213 7.328 ( -12.442 -3.185 12.648) 18.025 7.461 ( 0.421 0.661 -5.316) 5.373 7.820 ( -1.958 -2.382 1.162) 3.295 7.837 ( 0.099 -2.032 3.631) 4.162 7.883 ( 4.249 0.140 -8.851) 9.819 8.222 ( -2.234 -1.098 1.758) 3.047 8.346 ( 0.442 4.855 -1.089) 4.995 8.433 ( -2.593 -2.470 -1.403) 3.846 8.683 ( 2.017 8.354 -4.733) 9.811 8.899 ( 2.337 -8.567 -1.837) 9.068 9.235 ( 11.978 0.574 -1.473) 12.082 9.407 ( 11.270 1.497 -2.890) 11.731 9.582 ( -3.749 -3.014 5.368) 7.207 9.989 ( -0.939 -0.113 1.439) 1.722 10.249 ( -0.145 1.448 -5.204) 5.404 10.413 ( 2.000 0.310 9.100) 9.323 10.789 ( 9.372 -0.154 -2.388) 9.672 11.311 ( 3.417 -1.004 -4.656) 5.862 11.546 ( -4.444 -0.226 5.632) 7.178 12.029 ( -5.349 -0.390 -15.143) 16.065 12.555 ( -3.740 2.327 5.444) 7.003 12.890 ( 0.558 0.573 -2.073) 2.222 13.612 ( -0.540 -0.513 1.376) 1.564 13.715 ( -3.853 0.569 3.301) 5.105 14.479 ( -5.191 0.171 -4.294) 6.739 15.538 ( -7.459 0.034 -13.708) 15.606 16.240 ( 7.448 -1.313 -2.384) 7.930 17.762 ( 29.778 11.358 -29.941) 43.728 18.339 ( -32.133 8.320 25.368) 41.777 19.247 ( -10.424 -14.054 -1.134) 17.534 19.566 ( 5.419 5.214 9.046) 11.763 20.811 ( 4.018 -2.525 5.674) 7.397 22.421 ( -0.145 -0.797 1.216) 1.461 22.532 ( 1.176 -1.160 -1.256) 2.075 ======================= Grid point 221 (99/141) ======================= q-point: ( 0.30 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 21.089 9.815 -3.384) 23.506 2.119 ( 14.340 1.858 -4.772) 15.227 2.294 ( 11.051 1.934 -0.471) 11.228 2.471 ( 5.584 0.107 9.601) 11.108 2.778 ( 3.889 -3.997 -1.836) 5.871 3.157 ( 11.813 1.121 -1.051) 11.912 3.253 ( 4.925 -1.864 -1.114) 5.382 3.684 ( -2.821 -1.904 0.952) 3.534 3.796 ( 0.485 0.248 -3.546) 3.588 3.823 ( -4.636 1.084 2.671) 5.459 4.026 ( 1.465 -4.438 -1.307) 4.852 4.298 ( -2.004 -6.955 0.606) 7.264 4.523 ( -2.437 -3.049 2.918) 4.873 4.604 ( -3.228 -2.299 -4.504) 5.999 4.845 ( 1.809 -0.591 -0.635) 2.007 4.929 ( 5.400 -1.230 -12.146) 13.349 5.039 ( 5.189 3.494 1.797) 6.509 5.262 ( -0.838 1.261 1.020) 1.825 5.311 ( 1.491 2.280 6.808) 7.333 5.451 ( 5.017 3.559 -4.705) 7.744 5.546 ( 6.302 -3.593 9.398) 11.872 5.672 ( -8.414 5.053 5.772) 11.386 5.869 ( -3.250 1.983 2.115) 4.355 6.018 ( 2.074 -5.854 -2.770) 6.800 6.075 ( -1.249 3.518 1.520) 4.030 6.241 ( -2.750 0.912 -1.734) 3.376 6.322 ( -4.714 2.077 -10.484) 11.681 6.528 ( -1.377 7.834 3.823) 8.825 6.578 ( -4.265 1.108 3.076) 5.374 6.871 ( -2.801 -1.866 4.959) 5.993 7.017 ( -9.970 -3.333 -2.958) 10.920 7.181 ( 5.890 3.662 -1.878) 7.186 7.249 ( -11.826 -7.216 12.378) 18.578 7.465 ( 2.845 0.954 -3.590) 4.679 7.819 ( -3.249 -6.038 0.063) 6.856 7.893 ( 6.680 4.626 -3.810) 8.974 7.915 ( 4.463 -0.265 -3.455) 5.650 8.197 ( -3.632 -2.600 1.864) 4.840 8.259 ( -6.091 2.197 1.931) 6.757 8.399 ( 1.677 3.570 -3.627) 5.358 8.616 ( 0.140 4.836 -3.387) 5.906 8.991 ( 1.479 -5.879 -3.132) 6.824 9.382 ( 2.705 2.383 -0.556) 3.648 9.472 ( 4.153 -2.218 2.434) 5.300 9.694 ( 7.789 -4.036 1.307) 8.869 9.962 ( -3.833 -0.636 2.626) 4.690 10.219 ( 1.178 2.399 -2.579) 3.714 10.479 ( 1.084 0.030 8.993) 9.058 10.967 ( 13.446 1.405 0.779) 13.542 11.287 ( -5.138 -2.731 -4.885) 7.597 11.541 ( 0.736 3.435 3.976) 5.306 11.858 ( -6.371 -3.618 -14.630) 16.362 12.481 ( -4.813 2.729 1.575) 5.753 12.875 ( -0.658 0.735 -0.646) 1.179 13.662 ( -0.970 1.219 2.391) 2.854 13.710 ( 4.352 -1.351 6.652) 8.063 14.438 ( 0.523 -1.023 2.412) 2.672 15.313 ( -10.122 1.809 -17.753) 20.516 16.365 ( 6.118 -3.856 -2.721) 7.727 17.724 ( -7.715 18.331 -0.767) 19.903 18.119 ( 3.546 -0.458 -0.040) 3.576 19.161 ( -12.920 -7.954 0.314) 15.175 19.663 ( 6.824 3.871 7.403) 10.787 20.909 ( 3.203 -2.630 1.403) 4.375 22.438 ( 0.303 -1.260 0.745) 1.495 22.557 ( 0.638 -1.685 -0.713) 1.938 ======================= Grid point 222 (100/141) ======================= q-point: ( 0.40 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 14.927 10.224 3.948) 18.518 2.245 ( 7.183 8.846 3.563) 11.939 2.403 ( 6.257 1.281 -13.015) 14.497 2.484 ( 1.949 5.267 5.941) 8.175 2.966 ( 9.102 -5.068 7.875) 13.059 3.208 ( -0.031 4.118 2.139) 4.640 3.314 ( -0.074 0.186 -5.504) 5.508 3.625 ( -2.816 3.520 -2.928) 5.375 3.748 ( -6.384 -1.667 2.921) 7.216 3.804 ( 0.638 -4.943 -3.845) 6.295 4.007 ( -1.126 2.578 -1.286) 3.094 4.354 ( -1.123 -8.161 1.304) 8.341 4.578 ( -0.954 -1.764 -1.242) 2.359 4.604 ( -1.333 -13.113 3.383) 13.607 4.820 ( -2.745 1.736 -2.368) 4.020 4.936 ( 1.399 0.104 -6.856) 6.998 5.057 ( -1.551 0.527 -4.446) 4.739 5.265 ( 2.830 -0.418 3.965) 4.890 5.388 ( 0.823 0.834 1.408) 1.831 5.398 ( -5.801 2.746 10.184) 12.038 5.601 ( 5.310 3.221 -6.345) 8.879 5.722 ( 4.379 -2.237 7.007) 8.560 5.782 ( -3.868 6.097 1.156) 7.312 5.964 ( -2.726 -4.905 -9.377) 10.927 6.084 ( -2.902 3.664 0.978) 4.775 6.138 ( -6.368 1.177 -7.696) 10.058 6.287 ( 7.221 -0.947 2.786) 7.797 6.458 ( -0.318 8.020 6.141) 10.106 6.586 ( 1.443 -4.103 -1.439) 4.581 6.819 ( -6.917 -1.908 2.607) 7.634 6.964 ( -1.533 -4.411 1.793) 5.003 7.192 ( 1.355 3.767 -1.499) 4.275 7.205 ( -8.869 -6.974 9.016) 14.442 7.476 ( 0.846 1.492 -0.844) 1.912 7.810 ( -4.457 -5.013 -1.497) 6.873 7.917 ( 7.179 6.781 -8.195) 12.833 8.007 ( 8.699 2.382 0.471) 9.031 8.165 ( -1.869 -0.070 -0.549) 1.949 8.204 ( -2.159 -3.177 2.406) 4.532 8.386 ( 3.601 3.709 -4.617) 6.931 8.561 ( -1.825 2.143 0.438) 2.849 9.031 ( -0.301 -1.890 0.230) 1.927 9.324 ( -5.274 -0.924 -0.393) 5.369 9.580 ( 2.512 -0.732 0.697) 2.708 9.824 ( 2.190 -3.138 -0.073) 3.827 9.922 ( -3.202 -2.226 2.763) 4.780 10.215 ( 2.540 3.246 -0.167) 4.125 10.539 ( 0.869 -0.025 9.480) 9.520 11.139 ( 1.440 0.954 -3.003) 3.464 11.220 ( 5.281 -0.341 -0.630) 5.329 11.472 ( -2.903 4.397 -5.703) 7.764 11.826 ( 1.040 -4.089 -1.837) 4.602 12.378 ( -5.635 0.361 -0.885) 5.716 12.852 ( -1.458 0.405 0.629) 1.639 13.641 ( -0.022 0.535 -0.701) 0.882 13.818 ( 2.315 -0.838 5.218) 5.769 14.556 ( 8.033 -2.486 10.866) 13.740 15.021 ( -11.902 2.788 -19.637) 23.130 16.461 ( 1.528 -4.745 -3.119) 5.880 17.393 ( -17.526 8.971 11.066) 22.585 18.241 ( 14.176 2.743 -11.315) 18.344 19.031 ( -11.872 -6.474 1.741) 13.634 19.760 ( 6.179 5.154 7.360) 10.905 20.980 ( 3.434 -1.286 -1.685) 4.036 22.460 ( 0.638 -1.212 0.111) 1.374 22.575 ( 0.045 -1.342 -0.095) 1.346 ======================= Grid point 223 (101/141) ======================= q-point: (-0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -4.548 15.473 -0.885) 16.152 2.257 ( -2.941 9.334 8.706) 13.098 2.348 ( 3.788 9.602 -8.428) 13.326 2.542 ( 8.918 5.884 6.400) 12.455 3.094 ( -9.702 1.153 -6.530) 11.751 3.163 ( 0.749 0.654 5.166) 5.261 3.225 ( -1.095 1.360 -2.991) 3.463 3.522 ( -3.384 3.093 4.291) 6.279 3.715 ( -1.947 -2.425 1.662) 3.526 3.884 ( 3.373 -6.005 -1.758) 7.108 3.980 ( 1.568 2.404 -0.556) 2.923 4.415 ( -1.340 -5.773 2.739) 6.528 4.565 ( -3.641 -3.009 0.386) 4.739 4.657 ( -8.503 -3.633 -2.703) 9.634 4.760 ( 1.068 -1.206 0.428) 1.667 4.929 ( -0.602 -0.624 -5.719) 5.784 5.014 ( -0.884 -5.630 -3.340) 6.605 5.208 ( -9.744 3.992 8.683) 13.648 5.325 ( -1.067 -1.960 1.268) 2.567 5.494 ( 2.607 -1.635 3.253) 4.478 5.583 ( -1.921 3.116 -5.352) 6.484 5.660 ( -0.963 3.316 -4.564) 5.723 5.760 ( -2.395 4.833 1.477) 5.593 5.987 ( 2.969 -7.385 -9.398) 12.316 6.001 ( 0.288 -1.734 0.260) 1.777 6.123 ( 1.249 -1.960 0.817) 2.464 6.370 ( 2.796 3.573 7.738) 8.970 6.422 ( -0.460 1.398 -4.909) 5.125 6.664 ( 4.238 -2.337 -0.822) 4.909 6.788 ( -2.041 -4.192 1.718) 4.969 7.021 ( 1.599 -3.308 3.714) 5.224 7.172 ( -10.041 -8.368 9.986) 16.449 7.184 ( 4.205 2.846 -2.777) 5.787 7.450 ( -1.023 3.186 1.368) 3.615 7.779 ( -2.570 -2.725 -2.230) 4.359 7.912 ( 5.889 6.633 -8.838) 12.522 8.128 ( 10.001 5.151 1.261) 11.320 8.185 ( 2.894 -2.898 -1.937) 4.530 8.224 ( -0.791 -3.090 1.628) 3.581 8.393 ( 4.482 3.503 -5.196) 7.704 8.523 ( -2.232 0.797 3.593) 4.304 9.024 ( -2.755 0.003 3.907) 4.781 9.244 ( -7.450 -3.291 -1.342) 8.254 9.538 ( -7.445 0.120 -1.187) 7.540 9.821 ( -2.602 -0.044 2.058) 3.318 9.951 ( 0.204 -4.057 0.631) 4.111 10.231 ( 3.894 4.523 0.510) 5.990 10.588 ( 0.747 0.938 5.651) 5.777 11.009 ( -8.334 -0.417 -9.523) 12.662 11.351 ( -0.087 4.001 2.189) 4.562 11.427 ( 10.807 0.784 -0.478) 10.846 11.864 ( 0.265 0.973 1.212) 1.577 12.320 ( -3.138 -4.841 -0.064) 5.769 12.829 ( -1.726 -0.098 1.402) 2.226 13.653 ( 2.148 -0.984 -2.014) 3.105 13.837 ( -2.078 -0.298 -0.077) 2.100 14.702 ( -9.594 2.121 -14.823) 17.784 14.838 ( 11.511 -2.917 13.873) 18.261 16.455 ( -5.356 -3.114 -3.485) 7.108 17.117 ( -17.447 1.775 11.537) 20.991 18.394 ( 15.184 2.035 -12.741) 19.926 18.951 ( -9.068 -10.019 2.315) 13.710 19.825 ( 5.703 8.721 8.633) 13.532 21.027 ( 3.644 0.393 -4.145) 5.533 22.480 ( 0.844 -0.579 -0.591) 1.182 22.582 ( -0.538 -0.472 0.485) 0.864 ======================= Grid point 224 (102/141) ======================= q-point: (-0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -11.462 20.056 -1.555) 23.152 2.027 ( -9.712 11.599 -1.319) 15.185 2.255 ( -3.364 9.893 2.216) 10.682 2.716 ( 14.678 9.915 6.181) 18.760 2.789 ( -18.001 1.369 -10.507) 20.888 2.952 ( -19.277 5.427 1.784) 20.106 3.229 ( -1.665 3.237 2.406) 4.363 3.581 ( 3.820 -2.909 6.950) 8.447 3.720 ( -0.386 -1.409 2.964) 3.304 3.901 ( -2.913 0.857 -4.295) 5.260 4.060 ( 5.907 -1.366 2.763) 6.663 4.416 ( -9.752 -0.599 2.116) 9.997 4.468 ( -4.177 -3.797 -1.553) 5.854 4.609 ( 0.690 -1.346 2.833) 3.211 4.780 ( 0.274 -0.624 -5.819) 5.859 4.860 ( -4.212 1.426 1.870) 4.824 5.072 ( 1.956 -4.130 0.047) 4.570 5.179 ( 2.597 0.512 1.677) 3.134 5.268 ( -5.013 -2.245 -1.216) 5.626 5.484 ( -1.633 2.670 -4.120) 5.174 5.533 ( -6.049 4.986 -0.972) 7.899 5.587 ( 1.724 -5.662 2.088) 6.276 5.727 ( 0.080 -2.670 -2.220) 3.473 6.042 ( -2.099 -2.489 0.578) 3.307 6.078 ( 3.851 -8.797 -11.216) 14.766 6.172 ( 2.200 -3.768 0.223) 4.369 6.345 ( -2.589 0.764 -7.595) 8.061 6.481 ( 7.604 -0.509 9.277) 12.006 6.723 ( 1.786 0.183 -0.876) 1.998 6.793 ( -2.892 -3.580 -2.072) 5.047 7.097 ( 1.671 -1.980 3.114) 4.051 7.134 ( -6.236 -4.812 4.398) 9.021 7.298 ( 6.576 -6.212 4.764) 10.224 7.424 ( 2.742 4.934 2.779) 6.292 7.770 ( 0.033 -1.250 -0.548) 1.365 7.894 ( 5.872 6.699 -10.139) 13.497 8.221 ( 0.581 -0.799 0.080) 0.991 8.226 ( 5.806 6.308 3.402) 9.223 8.285 ( 3.510 -3.811 -0.691) 5.227 8.404 ( 3.076 3.175 -3.435) 5.598 8.516 ( 0.521 -0.540 2.098) 2.228 8.986 ( -5.717 -0.624 6.475) 8.660 9.120 ( -10.941 -3.182 -1.849) 11.544 9.361 ( -12.756 0.292 -1.561) 12.855 9.803 ( -0.025 0.485 0.850) 0.979 9.995 ( 0.277 -3.246 1.298) 3.507 10.246 ( 5.134 6.923 -2.154) 8.884 10.584 ( -0.632 1.781 -2.203) 2.902 10.819 ( -9.325 1.089 -7.904) 12.273 11.302 ( -3.345 1.781 3.035) 4.855 11.621 ( 11.989 2.467 5.084) 13.254 11.830 ( -2.244 1.943 2.674) 3.995 12.363 ( -1.202 -8.111 1.317) 8.305 12.816 ( -1.134 -0.571 1.752) 2.164 13.707 ( 3.337 -2.969 -4.406) 6.274 13.769 ( -3.689 1.044 -3.389) 5.117 14.487 ( -6.397 0.416 -7.844) 10.130 15.162 ( 14.428 -2.366 16.529) 22.068 16.322 ( -11.404 -1.430 -3.686) 12.070 16.900 ( -17.953 -3.046 10.486) 21.013 18.557 ( 12.867 -0.997 -10.583) 16.690 18.964 ( -5.654 -14.924 0.030) 15.959 19.862 ( 6.730 12.724 10.510) 17.823 21.047 ( 3.383 1.804 -7.044) 8.020 22.491 ( 0.984 0.388 -1.231) 1.623 22.572 ( -1.093 0.505 0.896) 1.501 ======================= Grid point 225 (103/141) ======================= q-point: (-0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -11.280 20.767 3.942) 23.959 1.765 ( -10.168 10.444 1.593) 14.663 2.074 ( -8.424 6.203 -5.964) 12.042 2.375 ( -19.906 3.820 -12.057) 23.584 2.553 ( -19.806 10.172 8.261) 23.749 2.880 ( 6.912 10.199 10.804) 16.386 3.157 ( -0.127 4.945 -1.176) 5.085 3.615 ( -3.880 -1.531 -1.461) 4.420 3.741 ( -6.128 1.235 -4.040) 7.443 3.838 ( 4.371 0.969 4.877) 6.620 4.099 ( -1.334 3.252 2.286) 4.192 4.315 ( -3.283 -3.490 0.339) 4.803 4.452 ( -5.971 -4.338 3.486) 8.162 4.636 ( -1.577 -2.648 -2.226) 3.802 4.773 ( 3.128 3.055 3.268) 5.459 4.803 ( -0.556 6.146 -0.128) 6.172 5.049 ( -2.908 4.731 -2.117) 5.943 5.241 ( 3.407 -5.666 2.011) 6.911 5.327 ( 3.831 -2.288 -8.202) 9.338 5.380 ( -0.498 4.706 3.849) 6.100 5.460 ( -0.839 -2.046 -4.615) 5.118 5.703 ( 1.010 -9.681 4.151) 10.582 5.764 ( 0.357 -5.119 0.061) 5.132 5.990 ( -3.460 -1.554 -5.784) 6.917 6.179 ( 1.597 -11.790 -11.874) 16.809 6.233 ( -0.604 -5.370 -1.679) 5.659 6.315 ( 3.384 -0.765 -2.095) 4.053 6.618 ( 3.155 -0.195 0.132) 3.163 6.749 ( -2.809 -4.066 5.812) 7.629 6.767 ( 1.790 -1.153 -1.255) 2.471 7.076 ( -4.795 -1.850 0.956) 5.227 7.171 ( 0.237 -4.485 2.872) 5.331 7.462 ( 6.334 1.434 4.505) 7.904 7.532 ( 9.844 -3.307 3.366) 10.916 7.797 ( 2.541 0.614 0.506) 2.663 7.876 ( 5.293 5.607 -8.107) 11.188 8.198 ( -2.601 1.416 0.493) 3.002 8.247 ( 4.620 8.342 0.175) 9.538 8.350 ( -4.233 -1.235 7.149) 8.399 8.379 ( 1.444 2.968 -0.815) 3.399 8.590 ( 6.362 -3.490 -4.779) 8.688 8.887 ( -13.114 -4.111 5.410) 14.770 8.993 ( -5.017 0.392 0.342) 5.044 9.147 ( -11.486 0.577 -1.013) 11.545 9.809 ( 0.248 0.015 -0.476) 0.536 10.036 ( 0.698 -1.185 1.634) 2.135 10.208 ( 1.906 7.838 -9.866) 12.744 10.525 ( -1.745 0.830 -7.702) 7.941 10.662 ( -4.422 2.368 3.138) 5.917 11.214 ( -6.912 3.384 3.603) 8.497 11.747 ( 5.135 2.949 -2.852) 6.573 11.864 ( 2.851 -1.512 12.366) 12.780 12.431 ( -1.586 -9.229 3.163) 9.884 12.823 ( -0.167 -0.893 1.384) 1.655 13.671 ( -0.932 1.173 -2.249) 2.702 13.809 ( 5.448 -3.495 -4.522) 7.896 14.440 ( 1.606 -1.635 3.579) 4.250 15.477 ( 13.693 -0.240 14.405) 19.876 16.109 ( -15.525 -3.412 -3.611) 16.301 16.682 ( -19.792 -3.458 8.221) 21.709 18.717 ( 6.693 -6.512 -2.941) 9.790 19.046 ( -3.033 -17.203 -5.436) 18.294 19.908 ( 10.175 15.029 11.669) 21.578 21.020 ( 1.340 3.248 -11.623) 12.142 22.493 ( 1.136 1.224 -1.613) 2.322 22.546 ( -1.552 1.366 0.950) 2.276 ======================= Grid point 226 (104/141) ======================= q-point: (-0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -3.265 10.160 17.758) 20.718 1.482 ( -16.350 11.038 13.924) 24.146 1.839 ( -9.529 -5.985 -24.541) 26.998 2.005 ( -11.660 4.604 -17.064) 21.174 2.277 ( -7.249 17.628 25.868) 32.132 2.822 ( -2.111 12.216 2.861) 12.723 3.149 ( 3.486 4.245 -2.438) 6.010 3.484 ( -7.603 2.510 -10.507) 13.210 3.642 ( -0.907 -0.285 3.338) 3.471 3.935 ( 3.349 0.950 8.708) 9.378 4.057 ( -1.587 1.874 -2.965) 3.850 4.283 ( -3.698 -0.997 -2.177) 4.405 4.410 ( -4.174 -2.369 0.430) 4.819 4.580 ( -5.475 2.358 0.504) 5.982 4.715 ( 1.294 5.480 -0.176) 5.633 4.847 ( 4.913 4.192 9.778) 11.719 4.984 ( -1.505 0.741 -6.754) 6.959 5.204 ( -3.712 7.253 -0.837) 8.190 5.314 ( 2.138 -1.530 -5.707) 6.284 5.423 ( -0.605 -2.866 -5.261) 6.022 5.577 ( 8.438 -5.005 4.326) 10.722 5.783 ( -2.289 -2.861 7.520) 8.365 5.881 ( 4.135 -10.305 -0.895) 11.140 5.948 ( -1.430 -5.863 -7.200) 9.395 6.214 ( -5.724 -11.678 -3.463) 13.459 6.268 ( 0.954 -5.627 -10.661) 12.093 6.408 ( 6.555 -0.076 1.880) 6.820 6.629 ( -3.143 -1.519 0.843) 3.591 6.773 ( 7.339 -2.241 -5.524) 9.455 6.853 ( -4.714 -7.197 10.397) 13.495 7.044 ( 0.531 -0.226 1.236) 1.364 7.233 ( -0.221 -5.334 0.993) 5.430 7.575 ( 7.096 1.844 2.840) 7.862 7.686 ( 3.820 -1.217 -1.132) 4.166 7.838 ( 4.110 1.587 1.852) 4.780 7.889 ( 6.020 3.880 -3.938) 8.173 8.103 ( -5.625 3.644 -1.123) 6.796 8.207 ( -9.868 4.624 3.245) 11.370 8.256 ( 3.776 6.334 -0.434) 7.387 8.374 ( -1.862 2.676 0.277) 3.271 8.707 ( 6.528 -3.416 -4.628) 8.700 8.794 ( -7.504 -6.303 6.298) 11.649 8.926 ( -1.890 1.747 1.735) 3.104 9.015 ( -4.226 0.345 -0.243) 4.247 9.796 ( -1.155 0.033 0.133) 1.163 9.973 ( -3.945 6.388 -6.547) 9.961 10.159 ( -0.015 -2.476 2.881) 3.799 10.452 ( -1.911 -1.110 -9.496) 9.750 10.696 ( 9.059 4.552 6.090) 11.827 11.059 ( -9.337 3.949 2.384) 10.414 11.782 ( 4.387 1.455 -1.403) 4.830 11.929 ( -3.429 -1.659 4.070) 5.575 12.567 ( 4.266 -8.979 7.396) 12.391 12.823 ( -1.529 -0.755 -0.225) 1.720 13.721 ( 4.967 -1.542 5.559) 7.613 13.906 ( 4.800 -3.944 -6.001) 8.638 14.668 ( 21.058 -6.027 13.961) 25.974 15.709 ( 6.345 4.631 9.800) 12.559 15.892 ( -14.486 -10.653 -1.876) 18.079 16.406 ( -19.887 0.664 3.140) 20.145 18.872 ( -1.562 -14.530 7.845) 16.586 19.129 ( -1.659 -14.107 -8.726) 16.670 20.020 ( 14.539 12.930 10.554) 22.135 20.875 ( -5.865 7.511 -17.649) 20.058 22.490 ( 1.062 1.640 -1.337) 2.368 22.507 ( -1.576 1.951 0.540) 2.566 ======================= Grid point 227 (105/141) ======================= q-point: (-0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 6.307 -5.988 27.795) 29.123 1.277 ( -4.540 8.821 23.114) 25.154 1.668 ( -5.222 -9.835 -29.175) 31.228 1.802 ( 3.175 3.081 -22.539) 22.969 2.198 ( 1.431 18.625 31.756) 36.843 2.676 ( 0.431 9.755 -9.504) 13.626 3.147 ( 3.205 3.109 0.387) 4.481 3.303 ( -3.542 3.413 -11.283) 12.309 3.740 ( 6.513 -2.408 8.301) 10.822 3.903 ( -9.820 1.718 -5.411) 11.343 4.039 ( 4.256 -0.053 8.452) 9.463 4.248 ( -0.895 0.276 -5.956) 6.029 4.361 ( 1.010 6.574 2.627) 7.151 4.486 ( -1.166 1.313 -3.404) 3.830 4.747 ( 3.433 1.546 6.191) 7.246 4.853 ( -4.094 6.077 -0.517) 7.346 4.950 ( 2.151 -1.305 3.822) 4.576 5.084 ( -2.824 4.397 -3.798) 6.461 5.335 ( 1.151 -1.094 -1.165) 1.970 5.398 ( -1.492 -0.783 -6.345) 6.565 5.741 ( 4.296 -2.701 3.869) 6.382 5.790 ( -2.136 -1.994 2.100) 3.598 5.961 ( -4.414 -7.403 -1.629) 8.771 6.035 ( 4.683 -6.899 -4.043) 9.267 6.232 ( -2.482 -9.608 -0.157) 9.925 6.294 ( 0.626 -6.153 -5.937) 8.573 6.521 ( 7.114 1.545 2.296) 7.633 6.564 ( -5.792 -2.197 -1.846) 6.463 6.822 ( -11.639 -7.178 7.580) 15.634 6.930 ( 8.201 -0.577 -1.379) 8.336 7.138 ( 6.729 -2.213 4.385) 8.331 7.242 ( -4.565 -4.167 -3.592) 7.149 7.626 ( -1.532 2.165 3.669) 4.527 7.712 ( 2.459 -1.730 -2.075) 3.653 7.871 ( -6.804 0.393 3.531) 7.676 7.965 ( 4.981 5.724 -1.100) 7.668 7.996 ( 1.594 2.525 -4.244) 5.189 8.002 ( 0.338 3.382 -2.201) 4.049 8.228 ( -7.144 5.052 4.406) 9.797 8.311 ( 4.798 5.310 -3.190) 7.835 8.761 ( -5.354 -4.447 2.609) 7.433 8.824 ( 6.970 -0.504 -2.641) 7.471 8.923 ( -3.041 0.188 3.495) 4.636 9.008 ( 5.857 -1.259 -3.988) 7.197 9.790 ( -3.017 0.416 3.742) 4.825 9.854 ( 0.790 2.005 -3.180) 3.841 10.219 ( 0.355 -2.774 7.537) 8.040 10.397 ( -1.742 -2.441 -9.065) 9.548 10.872 ( 14.666 3.625 0.085) 15.108 10.881 ( -8.110 3.428 -0.680) 8.830 11.851 ( -1.837 -0.171 0.821) 2.020 11.856 ( 0.413 -0.030 0.291) 0.506 12.746 ( 4.230 -4.740 2.984) 7.019 12.789 ( -2.670 -1.288 -1.322) 3.246 13.822 ( -0.756 -3.074 6.804) 7.504 13.962 ( 0.929 -3.181 -6.302) 7.120 15.398 ( 32.194 -15.492 7.206) 36.447 15.509 ( -16.464 -8.173 -3.653) 18.741 16.022 ( 17.466 -0.157 4.734) 18.097 16.105 ( -12.171 4.438 -3.327) 13.375 19.011 ( -12.551 -23.775 14.815) 30.697 19.206 ( 3.179 -8.131 -5.206) 10.165 20.200 ( 10.943 7.165 10.021) 16.477 20.479 ( -14.352 19.659 -17.372) 29.904 22.460 ( -1.695 1.887 1.257) 2.831 22.492 ( 1.541 1.528 -1.563) 2.674 ======================= Grid point 230 (106/141) ======================= q-point: ( 0.20 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 22.410 0.000 -6.825) 23.426 2.068 ( 14.951 0.000 -16.543) 22.298 2.419 ( 10.082 0.000 13.464) 16.821 2.468 ( 14.946 0.000 12.588) 19.541 2.704 ( 4.711 0.000 -6.981) 8.422 3.152 ( 15.336 0.000 -1.954) 15.460 3.262 ( 1.620 0.000 1.541) 2.236 3.635 ( -4.921 -0.000 0.406) 4.937 3.808 ( -8.596 -0.000 -3.960) 9.465 3.860 ( 1.169 0.000 3.506) 3.696 3.945 ( 7.312 0.000 2.676) 7.786 4.215 ( -2.112 -0.000 2.096) 2.976 4.511 ( -8.528 -0.000 -2.532) 8.896 4.570 ( -2.441 -0.000 -2.809) 3.721 4.835 ( 3.365 0.000 -0.848) 3.470 4.910 ( 6.987 0.000 -13.107) 14.853 5.090 ( 2.300 0.000 -2.728) 3.569 5.240 ( 1.740 0.000 -0.139) 1.746 5.424 ( 3.005 0.000 11.225) 11.620 5.452 ( 2.184 0.000 10.535) 10.759 5.502 ( 6.240 0.000 -5.483) 8.307 5.725 ( -14.303 -0.000 7.475) 16.139 5.866 ( -2.462 -0.000 -0.012) 2.462 5.949 ( 3.929 0.000 2.700) 4.767 6.166 ( -2.667 -0.000 1.819) 3.228 6.197 ( -6.841 -0.000 -6.801) 9.646 6.349 ( 2.611 0.000 -10.540) 10.859 6.525 ( -6.474 -0.000 1.075) 6.563 6.736 ( -0.393 -0.000 1.940) 1.979 6.821 ( -2.990 -0.000 8.607) 9.111 6.981 ( -12.079 -0.000 -2.889) 12.419 7.164 ( -10.046 -0.000 10.218) 14.330 7.230 ( 6.060 0.000 0.831) 6.116 7.468 ( 1.843 0.000 -5.338) 5.647 7.734 ( -4.355 -0.000 2.777) 5.166 7.923 ( 5.246 0.000 4.269) 6.763 7.927 ( 7.605 0.000 -10.697) 13.125 8.170 ( -4.066 -0.000 1.326) 4.277 8.291 ( -7.600 -0.000 0.367) 7.609 8.422 ( 0.523 0.000 2.018) 2.084 8.738 ( 3.410 0.000 -16.938) 17.278 8.870 ( 2.269 0.000 2.503) 3.378 9.425 ( -7.117 -0.000 3.953) 8.141 9.427 ( 11.043 0.000 1.331) 11.122 9.659 ( 9.177 0.000 1.175) 9.252 9.955 ( -4.028 -0.000 1.865) 4.439 10.244 ( 1.262 0.000 -3.154) 3.396 10.481 ( 1.022 0.000 8.957) 9.015 10.982 ( 14.533 0.000 0.636) 14.547 11.259 ( -5.219 -0.000 -5.152) 7.333 11.583 ( 4.150 0.000 7.562) 8.626 11.814 ( -9.517 -0.000 -17.638) 20.042 12.509 ( -6.160 -0.000 1.572) 6.357 12.882 ( -0.800 -0.000 -1.338) 1.559 13.678 ( -2.228 -0.000 0.510) 2.286 13.692 ( 5.597 0.000 9.059) 10.649 14.427 ( -0.217 -0.000 2.396) 2.406 15.333 ( -9.607 -0.000 -16.707) 19.272 16.321 ( 5.619 0.000 -3.936) 6.860 17.932 ( -23.995 -0.000 6.577) 24.880 18.127 ( 15.527 0.000 -13.692) 20.701 19.036 ( -10.042 -0.000 2.945) 10.465 19.729 ( 5.500 0.000 11.926) 13.133 20.875 ( 4.136 0.000 0.556) 4.173 22.424 ( 0.268 0.000 0.958) 0.995 22.537 ( 0.908 0.000 -1.065) 1.400 ======================= Grid point 231 (107/141) ======================= q-point: ( 0.30 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 16.890 7.822 0.735) 18.628 2.252 ( 12.024 -3.687 -10.911) 16.650 2.581 ( 9.517 7.873 9.578) 15.629 2.651 ( 10.015 12.259 0.659) 15.843 2.855 ( 10.596 -7.011 3.893) 13.289 3.277 ( 0.924 2.034 2.818) 3.596 3.309 ( 3.499 -0.322 -3.264) 4.796 3.598 ( -4.759 -6.722 2.011) 8.478 3.680 ( -3.476 1.193 -0.822) 3.766 3.849 ( -2.642 4.089 4.700) 6.767 4.012 ( -0.918 -1.486 -1.548) 2.334 4.215 ( -0.702 -5.184 -0.679) 5.275 4.375 ( -8.043 -6.701 -2.112) 10.679 4.546 ( -0.364 -1.277 -0.766) 1.533 4.828 ( -3.224 -0.340 -3.501) 4.772 4.932 ( 2.109 -0.154 -11.078) 11.278 5.069 ( -1.999 0.608 -3.320) 3.923 5.238 ( -1.919 -1.504 -0.658) 2.525 5.461 ( 6.624 6.954 5.614) 11.125 5.496 ( -11.290 4.118 7.619) 14.229 5.602 ( 2.706 -3.979 0.766) 4.872 5.656 ( 4.635 -3.252 7.456) 9.362 5.815 ( -3.088 -2.355 -2.918) 4.858 5.925 ( -5.874 3.115 -5.236) 8.463 6.043 ( -6.639 -4.017 -4.278) 8.861 6.229 ( 3.652 3.257 4.649) 6.749 6.317 ( 5.181 4.021 -8.569) 10.791 6.490 ( -2.017 -4.647 0.700) 5.114 6.662 ( -2.588 8.669 2.989) 9.528 6.807 ( -6.138 0.661 2.745) 6.757 6.861 ( -3.375 -5.145 4.756) 7.777 7.082 ( -7.218 -3.500 8.442) 11.646 7.300 ( 3.917 4.000 -0.708) 5.643 7.469 ( 0.815 -1.510 -4.048) 4.397 7.710 ( -2.581 -3.721 0.797) 4.598 8.003 ( 5.525 2.282 -4.865) 7.707 8.027 ( 6.211 -0.050 1.201) 6.326 8.122 ( -2.514 -1.874 -0.847) 3.248 8.197 ( -2.125 0.487 0.772) 2.313 8.432 ( 0.018 0.474 2.545) 2.588 8.664 ( 2.739 6.888 -13.193) 15.133 8.958 ( 2.731 -4.871 -0.351) 5.595 9.310 ( -9.628 -0.341 5.277) 10.985 9.568 ( 4.137 -0.329 1.250) 4.334 9.773 ( 3.281 -1.456 0.495) 3.624 9.894 ( -4.357 -0.762 1.881) 4.807 10.262 ( 3.007 1.314 -0.339) 3.299 10.542 ( 1.245 0.201 10.427) 10.503 11.135 ( -6.203 -0.524 -6.363) 8.902 11.233 ( 15.894 0.735 0.833) 15.932 11.563 ( -6.735 4.077 -11.103) 13.611 11.740 ( 4.980 -3.892 5.126) 8.138 12.384 ( -8.905 0.189 -1.508) 9.034 12.855 ( -1.796 0.042 -0.393) 1.839 13.649 ( -0.804 0.229 -1.680) 1.877 13.807 ( 2.503 -0.296 6.668) 7.129 14.522 ( 7.610 -0.890 11.684) 13.972 15.066 ( -12.298 1.413 -18.516) 22.273 16.375 ( 1.662 -2.790 -4.999) 5.961 17.540 ( -25.019 4.457 12.695) 28.407 18.308 ( 17.401 3.059 -19.225) 26.110 18.906 ( -12.191 -4.718 4.730) 13.902 19.862 ( 6.222 3.600 12.519) 14.436 20.950 ( 5.144 -1.227 -3.495) 6.338 22.438 ( 0.613 -0.743 0.481) 1.077 22.550 ( 0.586 -0.881 -0.516) 1.178 ======================= Grid point 232 (108/141) ======================= q-point: ( 0.40 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -0.446 11.632 4.228) 12.385 2.351 ( 3.086 1.027 -6.464) 7.237 2.609 ( 5.822 16.587 4.324) 18.104 2.761 ( 17.729 13.503 6.034) 23.088 3.067 ( 3.392 -3.501 2.196) 5.346 3.221 ( -5.253 4.502 -1.845) 7.160 3.262 ( -3.710 2.509 -1.128) 4.619 3.598 ( -2.826 -2.600 1.924) 4.295 3.656 ( -2.411 0.214 5.022) 5.575 3.796 ( 2.412 -0.138 -0.607) 2.491 4.003 ( 0.550 -0.277 -0.862) 1.060 4.283 ( 0.894 -6.677 -0.573) 6.761 4.382 ( -5.107 -14.394 -0.683) 15.288 4.569 ( 0.251 -2.619 0.406) 2.662 4.734 ( -6.378 -2.370 -2.738) 7.335 4.876 ( -3.755 -1.967 -4.730) 6.352 4.992 ( -3.500 1.309 -7.682) 8.543 5.230 ( -2.497 -4.515 0.808) 5.222 5.294 ( -12.119 3.419 7.288) 14.549 5.542 ( 5.509 3.720 0.710) 6.685 5.596 ( -4.501 -2.177 -6.220) 7.981 5.738 ( -3.007 4.064 1.121) 5.179 5.782 ( -1.216 -2.575 3.553) 4.553 5.831 ( 2.322 -4.493 -7.203) 8.801 6.037 ( -1.500 -4.898 -0.484) 5.145 6.109 ( -3.341 8.878 -2.377) 9.779 6.429 ( 6.982 1.541 -1.042) 7.225 6.482 ( -4.071 0.569 2.254) 4.688 6.615 ( 2.428 0.216 2.443) 3.451 6.746 ( -1.889 0.393 1.548) 2.473 6.897 ( -2.773 -7.256 5.712) 9.642 7.076 ( -1.936 -2.145 5.314) 6.049 7.285 ( 2.205 5.865 -1.123) 6.366 7.485 ( 1.184 -0.187 -0.319) 1.240 7.717 ( -0.134 -3.058 -2.863) 4.191 7.992 ( -0.529 2.035 -0.199) 2.112 8.103 ( -1.084 -5.168 -0.305) 5.289 8.147 ( 5.723 -0.498 -4.288) 7.169 8.237 ( 6.196 2.227 2.495) 7.041 8.445 ( 1.403 0.923 0.961) 1.935 8.592 ( 3.342 6.469 -8.370) 11.094 9.013 ( -0.633 -1.625 1.455) 2.271 9.184 ( -10.441 -2.433 3.069) 11.151 9.542 ( -7.248 0.166 -0.929) 7.309 9.796 ( -2.352 -1.986 1.144) 3.284 9.884 ( 0.005 -2.375 1.592) 2.859 10.311 ( 5.465 3.205 1.402) 6.489 10.612 ( 1.962 1.159 8.154) 8.467 11.003 ( -6.329 -0.225 -8.754) 10.805 11.385 ( -4.827 0.523 -8.592) 9.869 11.480 ( 14.835 3.131 3.992) 15.678 11.878 ( 4.429 0.402 6.481) 7.860 12.236 ( -9.071 -3.364 -1.536) 9.796 12.824 ( -2.036 -0.308 0.006) 2.060 13.636 ( 0.435 -0.648 -2.802) 2.909 13.835 ( -1.404 0.023 1.879) 2.346 14.743 ( -6.174 1.794 -8.313) 10.509 14.795 ( 6.787 -1.509 9.192) 11.525 16.363 ( -4.903 -4.638 -5.918) 8.976 17.193 ( -19.889 4.220 9.799) 22.570 18.446 ( 14.578 3.048 -15.736) 21.666 18.791 ( -11.202 -6.235 4.706) 13.657 19.976 ( 6.336 6.026 12.916) 15.597 21.021 ( 5.354 -0.663 -6.259) 8.263 22.461 ( 0.918 -1.104 -0.119) 1.441 22.565 ( 0.118 -0.986 0.067) 0.996 ======================= Grid point 233 (109/141) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -6.947 18.640 3.269) 20.160 2.233 ( -6.031 9.208 -8.813) 14.101 2.519 ( -1.281 15.958 8.268) 18.018 2.842 ( -17.309 4.039 -3.713) 18.158 2.969 ( 15.257 13.069 6.331) 21.063 3.063 ( -12.715 7.745 -2.063) 15.030 3.251 ( 2.872 -0.675 0.446) 2.984 3.583 ( 1.190 3.181 8.129) 8.810 3.689 ( 2.169 -2.004 4.924) 5.741 3.894 ( 1.500 -2.137 -0.291) 2.627 4.032 ( 5.110 -0.878 -1.209) 5.324 4.337 ( -6.413 -6.839 2.354) 9.667 4.389 ( -3.271 -4.835 -4.995) 7.683 4.566 ( -0.449 -2.654 -1.953) 3.325 4.730 ( -0.857 -4.666 0.456) 4.766 4.833 ( -4.614 -3.855 -4.205) 7.337 4.935 ( 1.247 -6.509 -1.126) 6.722 5.163 ( -3.671 0.454 5.812) 6.889 5.237 ( -3.694 -5.553 -2.133) 7.002 5.479 ( -2.758 -0.703 -8.349) 8.821 5.574 ( -2.445 3.613 4.061) 5.961 5.628 ( -2.932 2.164 -5.959) 6.985 5.779 ( -3.454 5.122 4.188) 7.463 5.896 ( 1.221 -6.393 -5.396) 8.454 5.982 ( 1.223 -2.369 -5.848) 6.427 6.095 ( -3.245 -4.178 3.904) 6.575 6.402 ( -0.514 3.465 -6.561) 7.438 6.483 ( -0.144 0.736 9.753) 9.781 6.671 ( -1.233 -4.107 2.551) 4.989 6.747 ( 0.607 -2.536 -5.687) 6.256 6.978 ( 0.357 -6.422 5.784) 8.650 7.089 ( -0.372 -0.152 2.392) 2.425 7.289 ( 5.089 3.054 1.136) 6.043 7.515 ( 4.669 3.480 2.231) 6.236 7.741 ( 2.269 -1.703 -3.447) 4.465 7.973 ( 0.634 1.108 -2.060) 2.423 8.134 ( -1.343 -5.645 -0.510) 5.824 8.217 ( 2.943 -2.095 -0.947) 3.735 8.334 ( 6.948 2.903 1.631) 7.704 8.456 ( 0.515 1.558 0.856) 1.851 8.569 ( 5.625 6.028 -5.620) 9.978 8.977 ( -8.255 -0.164 7.838) 11.385 9.056 ( -8.639 -3.483 -2.505) 9.645 9.369 ( -12.091 0.430 -1.916) 12.249 9.782 ( -2.047 -2.121 1.438) 3.280 9.925 ( 0.422 -3.305 1.440) 3.630 10.379 ( 8.320 5.915 -1.830) 10.372 10.628 ( -0.456 2.424 -1.351) 2.812 10.847 ( -7.062 1.708 -7.707) 10.592 11.314 ( -2.338 -0.354 1.590) 2.850 11.692 ( 12.922 4.034 5.431) 14.586 11.875 ( -4.450 2.847 2.153) 5.705 12.205 ( -2.856 -7.834 2.911) 8.832 12.801 ( -1.467 -0.880 -0.127) 1.715 13.652 ( 1.587 -2.391 -3.643) 4.637 13.792 ( -2.773 1.239 -1.204) 3.267 14.497 ( -8.780 0.562 -9.063) 12.630 15.121 ( 15.340 -1.778 17.946) 23.676 16.244 ( -12.411 -5.073 -6.430) 14.869 16.916 ( -15.750 3.042 6.619) 17.353 18.556 ( 7.821 0.621 -7.246) 10.679 18.739 ( -4.246 -8.214 -1.889) 9.438 20.070 ( 6.294 8.354 14.077) 17.537 21.066 ( 4.598 0.493 -8.882) 10.014 22.485 ( 1.110 -0.849 -0.677) 1.553 22.571 ( -0.495 -0.454 0.487) 0.830 ======================= Grid point 234 (110/141) ======================= q-point: (-0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -7.521 24.904 3.363) 26.232 1.972 ( -6.279 11.458 -10.814) 16.961 2.273 ( -17.617 12.073 1.731) 21.427 2.454 ( -19.299 4.211 -8.198) 21.386 2.762 ( -9.017 12.333 8.106) 17.295 3.133 ( 12.053 14.785 10.342) 21.698 3.244 ( -0.936 2.581 1.408) 3.085 3.606 ( -0.975 0.733 2.737) 2.996 3.773 ( 0.521 2.468 -0.786) 2.642 3.857 ( 0.684 0.852 1.782) 2.090 4.137 ( 3.784 -0.587 0.023) 3.829 4.233 ( -6.919 -3.600 -0.898) 7.851 4.373 ( -4.431 -3.340 -0.860) 5.615 4.595 ( 0.072 -1.408 -0.232) 1.429 4.771 ( 4.010 -3.582 -0.102) 5.377 4.827 ( -1.943 -3.113 3.584) 5.129 5.080 ( 6.320 -6.924 -0.323) 9.380 5.153 ( -5.940 -0.244 -3.084) 6.697 5.264 ( 7.706 -3.121 0.863) 8.358 5.429 ( -1.780 -0.796 -4.761) 5.145 5.466 ( -6.003 0.991 2.507) 6.581 5.590 ( 1.226 -2.829 -7.110) 7.749 5.701 ( -2.609 2.522 5.535) 6.618 5.903 ( -5.484 -6.319 -1.816) 8.562 6.012 ( -0.590 -4.432 -9.035) 10.081 6.109 ( -1.557 -7.170 -1.577) 7.504 6.338 ( 2.186 3.385 -5.300) 6.658 6.553 ( -1.034 -5.897 8.340) 10.266 6.674 ( -4.286 -4.028 2.112) 6.249 6.739 ( -0.486 -2.291 -6.327) 6.746 7.034 ( -1.174 -1.980 1.900) 2.984 7.111 ( 1.217 -1.035 2.414) 2.895 7.417 ( 9.494 -1.910 3.038) 10.149 7.592 ( 7.930 4.663 2.606) 9.561 7.796 ( 4.749 -0.489 -0.619) 4.814 7.965 ( 2.325 2.200 -4.396) 5.438 8.155 ( -2.959 -4.861 0.694) 5.733 8.271 ( -0.020 -2.938 1.495) 3.296 8.390 ( 1.113 2.918 2.349) 3.908 8.435 ( -0.143 2.292 -0.514) 2.353 8.596 ( 6.953 4.389 -3.786) 9.052 8.831 ( -12.890 -1.635 5.165) 13.982 8.983 ( -3.848 -1.307 0.996) 4.184 9.161 ( -11.002 0.887 -2.013) 11.220 9.786 ( -1.291 -1.954 1.379) 2.718 9.978 ( 0.837 -3.606 2.647) 4.551 10.380 ( 2.507 8.052 -17.476) 19.404 10.547 ( -2.890 1.355 -8.812) 9.373 10.725 ( -1.059 3.948 5.591) 6.926 11.277 ( -4.257 2.888 3.961) 6.492 11.798 ( -2.211 0.058 0.521) 2.272 11.856 ( 7.003 2.901 8.664) 11.512 12.265 ( -1.785 -7.567 5.982) 9.810 12.797 ( -0.508 -1.654 -0.754) 1.887 13.679 ( 0.538 -1.124 -2.571) 2.857 13.757 ( 1.709 -0.892 -2.669) 3.292 14.406 ( -0.617 -1.762 1.522) 2.409 15.459 ( 14.374 -1.732 15.133) 20.943 16.015 ( -18.252 -4.896 -5.965) 19.817 16.684 ( -13.426 2.557 3.234) 14.045 18.607 ( -3.736 -5.191 8.108) 10.327 18.801 ( 6.352 -7.841 -15.553) 18.539 20.154 ( 6.780 10.014 15.695) 19.814 21.065 ( 2.664 1.674 -12.391) 12.784 22.504 ( 1.183 -0.114 -1.064) 1.595 22.561 ( -1.122 0.326 0.670) 1.347 ======================= Grid point 235 (111/141) ======================= q-point: (-0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -3.070 26.156 6.251) 27.067 1.714 ( -9.487 12.382 -0.035) 15.599 1.846 ( -15.535 6.509 -12.905) 21.219 2.083 ( -14.448 3.289 -13.110) 19.784 2.630 ( 0.901 18.275 19.751) 26.924 3.071 ( -3.954 12.464 4.877) 13.956 3.274 ( 5.279 7.420 3.023) 9.595 3.553 ( -3.400 3.970 -3.777) 6.449 3.656 ( -2.964 2.181 -1.115) 3.846 3.931 ( 2.439 -0.505 4.952) 5.543 4.105 ( -2.545 2.514 -7.166) 8.009 4.238 ( -0.719 -4.375 -2.765) 5.226 4.361 ( 1.625 -1.107 5.371) 5.719 4.596 ( -1.980 0.287 0.900) 2.194 4.813 ( -1.144 2.035 0.212) 2.344 4.878 ( 0.877 -1.202 6.684) 6.847 5.017 ( -1.188 2.338 -2.815) 3.847 5.252 ( 2.994 -5.586 -1.880) 6.611 5.338 ( -1.674 5.150 -3.041) 6.211 5.375 ( -0.124 -0.759 -3.094) 3.188 5.504 ( 7.876 -3.822 2.170) 9.019 5.658 ( 2.302 -7.379 1.433) 7.862 5.717 ( -0.989 -5.428 5.673) 7.913 5.858 ( -5.716 -5.618 -3.627) 8.797 5.977 ( -4.281 -9.083 -8.624) 13.236 6.143 ( 0.385 -6.708 -11.575) 13.384 6.388 ( 6.518 -1.053 -0.089) 6.603 6.599 ( -3.824 -3.579 1.265) 5.388 6.665 ( -5.283 -8.042 6.677) 11.712 6.734 ( 0.715 -3.827 -5.005) 6.341 7.048 ( 1.779 0.423 1.578) 2.415 7.148 ( -0.319 -2.747 1.414) 3.106 7.597 ( 7.635 -1.087 2.394) 8.075 7.679 ( 5.690 2.350 0.682) 6.194 7.887 ( 6.206 1.719 1.727) 6.667 7.969 ( 5.215 3.718 -4.507) 7.831 8.122 ( -6.470 -1.907 0.325) 6.753 8.239 ( -9.610 -0.830 4.126) 10.492 8.354 ( 0.777 2.621 0.240) 2.744 8.419 ( -0.088 1.734 -1.129) 2.071 8.654 ( -0.383 -2.016 5.002) 5.407 8.722 ( 0.771 0.896 -2.505) 2.770 8.947 ( -2.993 0.204 3.130) 4.336 9.019 ( -4.093 0.237 -1.939) 4.535 9.786 ( -1.289 -0.826 2.184) 2.667 10.041 ( 0.299 -1.524 2.699) 3.114 10.163 ( -6.433 4.584 -14.749) 16.731 10.438 ( -3.856 -0.353 -11.204) 11.854 10.802 ( 10.923 5.858 5.737) 13.658 11.148 ( -8.147 4.967 2.242) 9.802 11.809 ( 2.774 0.349 -0.126) 2.799 11.907 ( -2.474 0.462 4.313) 4.994 12.400 ( 4.311 -7.708 12.338) 15.173 12.794 ( -1.749 -2.141 -2.310) 3.602 13.701 ( 2.047 -0.565 2.721) 3.452 13.819 ( 3.532 -4.500 -4.946) 7.562 14.557 ( 13.280 -5.049 11.534) 18.300 15.660 ( -17.515 -11.684 -5.913) 21.869 15.804 ( 7.797 4.759 11.391) 14.601 16.455 ( -12.416 3.757 -0.977) 13.009 18.635 ( -8.767 -9.486 15.555) 20.219 18.915 ( 8.033 -8.158 -18.989) 22.173 20.247 ( 7.434 9.900 17.176) 21.173 20.983 ( -1.252 4.013 -17.196) 17.702 22.514 ( 0.927 0.677 -0.837) 1.421 22.536 ( -1.232 1.114 0.287) 1.686 ======================= Grid point 236 (112/141) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 3.109 16.634 14.756) 22.452 1.489 ( -3.813 11.628 17.018) 20.961 1.573 ( -3.637 2.760 -25.829) 26.230 1.880 ( 3.584 3.760 -18.553) 19.267 2.583 ( 3.137 19.925 24.438) 31.687 2.884 ( -4.646 11.351 -1.410) 12.346 3.257 ( 2.740 7.608 1.126) 8.165 3.410 ( -1.025 7.072 -10.708) 12.874 3.699 ( 3.506 -1.364 9.678) 10.384 3.931 ( -6.760 0.413 -11.153) 13.048 4.032 ( 2.522 0.133 9.397) 9.731 4.232 ( -0.704 -1.969 -6.955) 7.262 4.473 ( 8.155 4.104 3.124) 9.649 4.509 ( -5.026 1.241 0.422) 5.194 4.791 ( 1.280 2.572 2.844) 4.042 4.894 ( -0.474 -1.312 -5.013) 5.204 5.015 ( 0.831 5.154 8.193) 9.715 5.190 ( -5.121 5.527 -4.937) 9.007 5.300 ( -0.757 -2.262 1.551) 2.845 5.378 ( 1.056 -0.855 -5.384) 5.553 5.680 ( 5.447 -3.128 2.569) 6.786 5.733 ( -3.426 -4.108 5.437) 7.627 5.811 ( -1.895 -7.177 -4.023) 8.443 5.842 ( 0.873 -11.098 2.661) 11.446 6.021 ( 0.829 -11.199 -3.716) 11.829 6.144 ( 0.078 -7.681 -14.982) 16.837 6.524 ( 7.081 -1.476 1.321) 7.353 6.535 ( -6.209 -1.508 0.297) 6.396 6.658 ( -11.097 -8.874 10.123) 17.446 6.863 ( 11.401 -6.009 -8.154) 15.250 7.102 ( 3.132 -1.159 3.854) 5.100 7.156 ( -3.490 -3.753 -0.774) 5.183 7.660 ( -0.238 1.998 1.873) 2.749 7.713 ( 0.326 0.362 -2.052) 2.109 7.917 ( -5.552 4.030 6.318) 9.327 8.030 ( 0.589 0.769 -1.656) 1.918 8.056 ( 9.098 3.299 -1.894) 9.861 8.074 ( -5.833 2.754 -1.770) 6.689 8.335 ( -2.348 4.581 3.001) 5.959 8.394 ( 1.946 2.430 -2.447) 3.960 8.655 ( -6.637 -5.041 7.522) 11.226 8.804 ( 8.507 -1.093 -6.196) 10.582 8.926 ( -1.045 0.271 3.402) 3.569 8.995 ( 2.000 -0.192 -2.751) 3.406 9.799 ( 0.932 0.624 4.395) 4.536 9.910 ( -4.793 3.465 -6.997) 9.162 10.157 ( 0.941 -3.317 6.855) 7.674 10.343 ( -3.170 -2.795 -10.187) 11.029 10.962 ( 9.192 5.245 -0.163) 10.584 10.971 ( -3.114 5.447 -0.885) 6.337 11.844 ( -5.834 -0.329 1.995) 6.175 11.865 ( 4.928 1.069 -0.163) 5.045 12.623 ( 5.996 -7.141 9.677) 13.439 12.754 ( -4.242 -2.441 -3.726) 6.151 13.758 ( -0.556 -2.982 5.211) 6.030 13.880 ( 0.933 -4.843 -5.974) 7.747 15.081 ( 30.527 -14.663 14.581) 36.872 15.324 ( -26.241 -9.943 -9.372) 29.585 16.050 ( 16.637 2.774 9.041) 19.137 16.204 ( -11.037 5.407 -5.810) 13.594 18.658 ( -13.005 -12.414 20.250) 27.080 19.033 ( 7.212 -8.751 -15.659) 19.334 20.352 ( 4.276 7.706 18.312) 20.323 20.767 ( -4.804 10.247 -21.180) 24.014 22.495 ( -1.760 1.471 1.116) 2.551 22.524 ( 1.580 1.527 -1.509) 2.665 ======================= Grid point 237 (113/141) ======================= q-point: (-0.10 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 6.819 -1.304 16.231) 17.653 1.411 ( 2.915 0.112 -19.549) 19.766 1.590 ( 14.225 7.286 17.428) 23.647 1.910 ( 15.586 6.305 -17.676) 24.395 2.585 ( 6.715 18.265 22.677) 29.883 2.730 ( 2.700 7.970 -12.000) 14.656 3.276 ( -0.774 5.199 -9.059) 10.473 3.288 ( 6.707 5.892 2.436) 9.254 3.717 ( -5.544 -0.225 -1.012) 5.640 3.901 ( 5.961 -2.067 5.859) 8.610 4.142 ( 2.587 -0.733 4.236) 5.017 4.193 ( 1.401 0.849 -7.243) 7.426 4.419 ( 0.451 1.384 0.672) 1.604 4.615 ( 11.005 6.830 -0.361) 12.957 4.745 ( -6.059 1.827 -2.471) 6.793 4.885 ( 4.185 2.796 1.829) 5.355 4.993 ( -4.602 3.375 0.338) 5.717 5.071 ( -0.971 1.406 4.934) 5.222 5.299 ( -2.438 -0.306 -0.888) 2.613 5.374 ( 1.120 0.010 -1.945) 2.245 5.683 ( -5.874 -6.769 -4.103) 9.857 5.787 ( -1.961 -3.969 3.882) 5.888 5.829 ( -0.047 -3.267 2.661) 4.214 5.974 ( -0.299 -9.279 -2.509) 9.617 6.120 ( 0.479 -10.447 -2.325) 10.714 6.231 ( 5.767 -9.376 -4.740) 11.984 6.446 ( -5.932 -1.815 -1.331) 6.345 6.595 ( -8.731 -5.186 6.506) 12.061 6.650 ( 4.598 -0.519 3.174) 5.611 7.034 ( 5.848 0.049 -1.647) 6.076 7.086 ( -5.905 -2.984 -6.301) 9.136 7.204 ( 2.524 -4.482 3.449) 6.193 7.607 ( -5.586 2.109 4.103) 7.245 7.685 ( -1.924 -2.492 -5.391) 6.243 7.769 ( -7.772 2.825 5.194) 9.765 7.889 ( -6.342 2.535 -2.295) 7.205 8.102 ( 6.377 3.133 0.106) 7.106 8.206 ( -3.738 7.228 3.118) 8.715 8.260 ( 12.769 4.833 -1.658) 13.754 8.389 ( 1.302 2.407 -0.076) 2.737 8.625 ( -6.441 -6.573 2.186) 9.458 8.903 ( 3.152 -0.122 -0.756) 3.244 8.944 ( 6.140 0.708 -3.080) 6.906 9.061 ( 6.157 -2.733 -3.646) 7.660 9.762 ( -3.838 3.354 2.390) 5.630 9.905 ( 4.519 -0.299 0.947) 4.627 10.236 ( 0.218 -2.988 8.155) 8.688 10.297 ( -1.378 -3.408 -6.627) 7.578 10.806 ( -4.201 4.581 -4.659) 7.768 11.120 ( 12.189 3.726 -3.736) 13.282 11.749 ( -6.550 1.061 2.058) 6.948 11.962 ( 7.190 -0.446 0.532) 7.223 12.676 ( -6.399 -3.045 -3.724) 8.006 12.789 ( 3.767 -4.452 3.082) 6.596 13.778 ( -3.957 -2.946 5.877) 7.673 13.859 ( -5.541 -3.412 -6.775) 9.394 14.928 ( -23.663 -6.267 -10.666) 26.702 15.787 ( 21.742 -11.087 2.434) 24.526 15.962 ( -7.694 1.351 -8.248) 11.360 16.459 ( 33.769 -8.721 -1.143) 34.896 18.646 ( -18.290 -14.253 22.649) 32.413 19.178 ( 6.341 -10.179 -6.802) 13.787 20.201 ( -17.218 16.348 -1.959) 23.824 20.626 ( 9.271 8.915 1.086) 12.908 22.459 ( -1.370 1.719 1.206) 2.507 22.529 ( 1.733 1.794 -1.147) 2.745 ======================= Grid point 241 (114/141) ======================= q-point: ( 0.30 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -1.188 -0.000 5.197) 5.331 2.350 ( 6.887 0.000 -5.142) 8.595 2.827 ( 7.678 0.000 7.367) 10.641 2.962 ( 17.965 0.000 -2.680) 18.164 2.990 ( 7.136 0.000 5.947) 9.289 3.249 ( -7.346 -0.000 -2.998) 7.934 3.325 ( 2.460 0.000 1.749) 3.018 3.483 ( -3.680 -0.000 2.574) 4.491 3.670 ( -0.812 -0.000 3.372) 3.469 3.922 ( -5.278 -0.000 -4.982) 7.257 3.929 ( 3.241 0.000 9.285) 9.835 4.178 ( 1.998 0.000 -3.867) 4.352 4.217 ( -4.333 -0.000 -1.167) 4.487 4.544 ( 0.848 0.000 -0.679) 1.087 4.702 ( -8.496 -0.000 -4.539) 9.632 4.862 ( -5.476 -0.000 -4.493) 7.083 5.010 ( -2.540 -0.000 -9.625) 9.955 5.180 ( -3.967 -0.000 -0.454) 3.993 5.333 ( -13.516 -0.000 7.830) 15.620 5.547 ( -5.998 -0.000 -12.774) 14.112 5.622 ( -0.390 -0.000 6.363) 6.375 5.671 ( 6.781 0.000 2.882) 7.368 5.800 ( 0.043 0.000 2.566) 2.567 5.875 ( -4.702 -0.000 -0.923) 4.792 5.920 ( -0.794 -0.000 -0.064) 0.797 6.260 ( -3.857 -0.000 -6.060) 7.183 6.416 ( -4.004 -0.000 4.205) 5.807 6.444 ( 9.569 0.000 -3.908) 10.336 6.653 ( -1.792 -0.000 0.319) 1.820 6.776 ( -7.642 -0.000 5.085) 9.179 6.805 ( 2.646 0.000 2.971) 3.979 7.054 ( 0.641 0.000 4.885) 4.927 7.367 ( 1.019 0.000 2.908) 3.081 7.460 ( 2.556 0.000 -3.494) 4.329 7.683 ( 0.999 0.000 -0.932) 1.366 8.016 ( -3.867 -0.000 1.812) 4.270 8.037 ( -1.935 -0.000 1.952) 2.749 8.145 ( 6.592 0.000 -7.013) 9.625 8.258 ( 6.725 0.000 1.344) 6.858 8.449 ( 0.564 0.000 2.974) 3.027 8.685 ( 4.135 0.000 -13.741) 14.350 8.979 ( 1.970 0.000 -0.225) 1.983 9.161 ( -12.512 -0.000 7.107) 14.390 9.543 ( -7.120 -0.000 -0.950) 7.183 9.772 ( -2.232 -0.000 0.949) 2.426 9.861 ( -0.237 -0.000 1.583) 1.601 10.344 ( 6.056 0.000 1.735) 6.300 10.624 ( 2.405 0.000 9.339) 9.644 11.000 ( -5.522 -0.000 -8.038) 9.752 11.391 ( -4.851 -0.000 -12.286) 13.209 11.514 ( 14.175 0.000 4.563) 14.891 11.881 ( 7.214 0.000 9.445) 11.885 12.202 ( -12.190 -0.000 -2.759) 12.498 12.821 ( -2.149 -0.000 -0.505) 2.208 13.630 ( -0.247 -0.000 -3.067) 3.077 13.835 ( -1.068 -0.000 2.608) 2.819 14.765 ( 13.593 0.000 18.006) 22.561 14.777 ( -13.651 -0.000 -16.639) 21.522 16.314 ( -4.349 -0.000 -6.599) 7.903 17.239 ( -21.200 -0.000 9.395) 23.189 18.486 ( 15.019 0.000 -20.067) 25.065 18.723 ( -12.018 -0.000 8.293) 14.602 20.039 ( 5.465 0.000 14.979) 15.945 21.013 ( 6.472 0.000 -7.364) 9.804 22.448 ( 0.939 0.000 0.126) 0.948 22.553 ( 0.496 0.000 -0.148) 0.517 ======================= Grid point 242 (115/141) ======================= q-point: (-0.60 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( -7.831 5.747 6.476) 11.674 2.365 ( -1.160 3.675 -3.754) 5.380 2.800 ( -7.753 9.401 5.146) 13.227 2.900 ( -19.089 1.318 -0.422) 19.139 3.136 ( 4.340 5.697 2.121) 7.469 3.195 ( 0.742 -0.457 2.931) 3.057 3.361 ( 14.137 14.657 -2.062) 20.468 3.604 ( 6.554 -7.845 5.352) 11.539 3.682 ( 0.589 5.111 6.021) 7.920 3.843 ( 2.236 -0.910 0.155) 2.419 4.007 ( 0.002 -4.574 -1.024) 4.687 4.200 ( 0.424 -2.158 0.334) 2.224 4.278 ( 4.341 -6.242 -3.435) 8.343 4.514 ( -2.485 -2.343 -9.370) 9.973 4.627 ( -1.551 -3.433 7.564) 8.450 4.762 ( -5.245 -1.638 -4.791) 7.290 4.887 ( -4.041 -0.377 -7.489) 8.518 5.107 ( -6.729 -4.499 -5.134) 9.585 5.188 ( -7.716 0.597 9.849) 12.526 5.438 ( -1.466 -1.896 -9.788) 10.077 5.611 ( -2.065 1.145 1.998) 3.093 5.734 ( -4.009 0.389 0.037) 4.028 5.752 ( -4.144 2.092 4.000) 6.127 5.853 ( 6.228 -0.137 -3.496) 7.143 5.952 ( -4.155 -5.068 4.805) 8.127 6.103 ( -5.271 6.063 -4.406) 9.162 6.399 ( -3.836 -3.782 2.409) 5.901 6.523 ( 3.022 2.718 -3.860) 5.606 6.616 ( -3.784 -0.399 2.352) 4.473 6.686 ( -4.517 -3.320 -1.438) 5.787 6.919 ( 7.918 -0.411 1.695) 8.108 7.090 ( 1.121 0.048 1.568) 1.928 7.371 ( 1.539 4.284 3.745) 5.895 7.528 ( 4.820 -1.936 1.194) 5.330 7.715 ( 3.833 -0.702 -3.577) 5.289 7.967 ( -3.424 -0.229 3.651) 5.010 8.040 ( -0.455 -3.339 -0.152) 3.373 8.201 ( 3.415 0.000 -2.765) 4.394 8.363 ( 5.702 0.527 0.265) 5.732 8.474 ( 1.364 0.427 0.263) 1.454 8.690 ( 6.355 4.579 -8.092) 11.262 8.978 ( -10.660 0.078 8.483) 13.624 8.990 ( -5.915 -2.629 -2.734) 7.027 9.376 ( -11.495 0.241 -2.382) 11.741 9.742 ( -2.330 -1.437 1.423) 3.086 9.879 ( 0.400 -1.251 1.515) 2.005 10.461 ( 9.087 2.173 -1.454) 9.456 10.666 ( -0.542 1.169 -0.999) 1.630 10.876 ( -5.196 0.964 -6.294) 8.219 11.301 ( -1.731 -0.570 0.757) 1.973 11.753 ( 12.859 1.800 5.181) 13.980 11.947 ( -6.796 4.460 1.027) 8.193 12.064 ( -1.882 -6.340 4.750) 8.143 12.787 ( -1.738 -0.434 -1.272) 2.197 13.619 ( 0.527 -0.890 -3.094) 3.263 13.811 ( -2.192 0.562 0.129) 2.267 14.506 ( -10.580 0.277 -10.368) 14.816 15.096 ( 15.552 -0.733 18.376) 24.085 16.168 ( -11.059 -2.138 -7.468) 13.515 16.969 ( -16.025 1.671 4.998) 16.869 18.576 ( -1.346 1.321 0.326) 1.914 18.629 ( 3.217 -3.412 -9.288) 10.405 20.182 ( 5.000 2.933 16.347) 17.345 21.072 ( 5.935 0.132 -10.135) 11.745 22.469 ( 1.260 -0.573 -0.229) 1.403 22.561 ( 0.131 -0.354 0.149) 0.405 ======================= Grid point 243 (116/141) ======================= q-point: (-0.50 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( -10.460 10.754 5.982) 16.151 2.208 ( -4.895 11.110 -7.498) 14.269 2.493 ( -19.949 9.392 1.593) 22.107 2.525 ( -22.241 2.625 -2.154) 22.498 3.064 ( 2.954 16.936 3.252) 17.496 3.248 ( 0.700 -0.711 7.016) 7.086 3.424 ( 8.478 13.888 2.397) 16.446 3.629 ( -0.052 1.072 4.837) 4.955 3.840 ( 6.932 3.259 4.684) 8.979 3.857 ( -0.914 -1.494 -0.218) 1.765 4.053 ( 0.176 -5.846 -4.032) 7.104 4.217 ( 0.476 0.980 -3.881) 4.032 4.325 ( -0.012 -1.755 -1.207) 2.130 4.562 ( 5.563 -3.087 -1.593) 6.559 4.665 ( 0.772 -5.256 -5.140) 7.393 4.726 ( -1.773 -6.264 5.502) 8.524 4.942 ( 6.825 -5.514 1.856) 8.969 5.037 ( -4.745 -8.852 -8.075) 12.887 5.192 ( 0.869 -3.397 9.073) 9.727 5.413 ( 1.216 -0.599 -8.166) 8.278 5.552 ( -5.276 3.334 1.804) 6.497 5.566 ( -6.120 4.767 -3.738) 8.611 5.753 ( -5.278 -4.035 5.736) 8.777 5.866 ( -4.384 4.057 5.882) 8.383 5.928 ( 0.199 -3.851 -10.109) 10.820 6.008 ( -2.932 -1.860 -1.118) 3.648 6.386 ( -2.640 -2.631 0.432) 3.752 6.477 ( -2.482 2.125 2.005) 3.834 6.574 ( -5.501 -4.970 1.636) 7.592 6.677 ( -0.327 -4.080 -8.540) 9.471 7.028 ( 4.763 1.309 0.308) 4.949 7.110 ( 1.568 0.152 0.367) 1.618 7.414 ( 5.994 1.470 4.052) 7.383 7.638 ( 5.303 -0.989 1.956) 5.738 7.789 ( 6.703 -0.379 -1.949) 6.991 7.947 ( -2.534 -1.728 3.914) 4.973 8.070 ( -0.282 -3.430 -0.958) 3.572 8.235 ( 1.376 -0.606 -0.228) 1.520 8.420 ( 1.716 0.804 -0.212) 1.907 8.470 ( -0.637 1.284 -2.113) 2.553 8.702 ( 1.863 5.126 -0.844) 5.518 8.811 ( -8.191 -0.818 3.009) 8.764 8.952 ( -3.462 -1.573 1.049) 3.945 9.179 ( -10.234 0.862 -2.884) 10.668 9.746 ( -0.429 -1.764 2.085) 2.765 9.915 ( 0.856 -2.481 2.490) 3.618 10.503 ( 0.912 4.488 -18.191) 18.759 10.570 ( -3.979 0.686 -10.870) 11.596 10.801 ( 1.322 3.321 6.596) 7.502 11.320 ( -0.589 1.415 5.898) 6.093 11.775 ( -7.970 -1.177 5.594) 9.808 11.945 ( 9.028 4.658 2.830) 10.546 12.138 ( -0.554 -5.302 7.183) 8.945 12.764 ( -1.072 -1.414 -2.594) 3.143 13.640 ( 1.882 -1.946 -2.148) 3.456 13.767 ( -1.439 1.015 -1.390) 2.244 14.375 ( -2.276 -1.206 -0.405) 2.607 15.417 ( 11.884 -2.092 12.703) 17.521 15.947 ( -13.935 -1.970 -4.963) 14.923 16.740 ( -12.151 2.539 0.943) 12.449 18.519 ( -8.328 -3.331 12.202) 15.144 18.711 ( 9.851 -2.295 -19.414) 21.891 20.301 ( 4.611 4.989 17.703) 18.961 21.092 ( 3.910 1.024 -12.807) 13.429 22.495 ( 1.365 -0.625 -0.414) 1.557 22.562 ( -0.460 -0.124 0.236) 0.532 ======================= Grid point 244 (117/141) ======================= q-point: (-0.40 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -8.376 13.746 6.566) 17.384 1.978 ( -2.142 12.859 -10.552) 16.771 2.059 ( -18.268 14.857 -0.223) 23.548 2.156 ( -14.955 5.864 -6.957) 17.505 2.989 ( 5.253 17.978 10.220) 21.337 3.239 ( -3.793 3.661 4.314) 6.812 3.435 ( 3.286 9.007 9.688) 13.631 3.629 ( -0.078 3.627 2.285) 4.287 3.725 ( -3.684 4.025 -6.597) 8.561 3.941 ( 0.677 1.974 3.583) 4.146 4.103 ( 0.124 -6.413 -5.200) 8.257 4.157 ( -0.955 0.674 -8.108) 8.192 4.377 ( 6.859 2.101 4.765) 8.612 4.614 ( 0.917 1.266 0.087) 1.566 4.777 ( -0.235 -4.627 2.466) 5.249 4.790 ( 2.316 -6.596 3.147) 7.667 5.042 ( 0.015 -3.908 -5.543) 6.782 5.130 ( 3.634 -5.206 1.851) 6.613 5.341 ( 1.353 -4.775 4.521) 6.714 5.383 ( 3.154 -1.925 2.088) 4.245 5.423 ( -0.416 1.938 -3.732) 4.225 5.524 ( 0.947 -4.003 -3.797) 5.598 5.718 ( -4.634 -2.491 4.415) 6.868 5.749 ( -9.264 1.747 6.729) 11.583 5.889 ( -2.673 -2.337 -10.235) 10.833 6.019 ( 1.192 -5.438 -9.662) 11.151 6.384 ( 1.225 -1.674 -0.470) 2.127 6.465 ( -3.256 -4.356 5.503) 7.737 6.552 ( -5.734 -6.134 2.046) 8.642 6.657 ( 0.127 -3.533 -10.468) 11.049 7.066 ( 2.758 1.589 0.267) 3.194 7.130 ( 0.087 0.265 0.846) 0.891 7.562 ( 8.233 -1.956 3.692) 9.232 7.718 ( 3.504 -0.373 -0.593) 3.574 7.903 ( 6.286 0.819 2.755) 6.912 7.970 ( 0.789 -4.094 1.610) 4.469 8.071 ( -2.186 -1.373 -0.749) 2.688 8.227 ( -4.684 0.241 0.479) 4.715 8.381 ( -2.644 1.065 -0.701) 2.935 8.434 ( -0.935 0.067 -2.809) 2.961 8.650 ( -4.382 1.094 9.537) 10.552 8.788 ( 4.609 4.053 -4.792) 7.786 8.933 ( -1.860 -1.496 2.446) 3.417 9.029 ( -5.192 0.788 -2.690) 5.900 9.773 ( 0.769 -0.334 3.472) 3.572 9.983 ( 1.849 -3.215 4.819) 6.081 10.264 ( -9.707 4.667 -18.049) 21.018 10.435 ( -5.296 -0.050 -14.322) 15.270 10.908 ( 10.912 4.619 5.321) 12.989 11.243 ( -7.145 4.367 2.167) 8.650 11.784 ( 1.955 -2.051 5.601) 6.277 11.958 ( -2.358 3.677 1.733) 4.699 12.274 ( 5.295 -4.981 12.451) 14.418 12.745 ( -2.170 -2.654 -4.598) 5.735 13.685 ( 1.582 -1.512 0.239) 2.201 13.753 ( 0.898 -1.700 -2.791) 3.389 14.475 ( 9.708 -3.364 9.618) 14.073 15.467 ( -16.260 -7.700 -9.119) 20.170 15.886 ( 8.767 3.429 12.508) 15.655 16.531 ( -10.228 3.526 -3.049) 11.241 18.496 ( -8.153 -4.957 14.999) 17.777 18.794 ( 8.535 -4.392 -20.120) 22.293 20.403 ( 3.955 6.020 19.259) 20.562 21.045 ( 0.847 2.469 -16.043) 16.254 22.517 ( 1.005 -0.207 -0.135) 1.035 22.551 ( -0.777 0.362 -0.101) 0.863 ======================= Grid point 245 (118/141) ======================= q-point: (-0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 1.302 20.397 6.849) 21.556 1.698 ( -6.153 13.212 5.038) 15.420 1.799 ( 1.831 16.726 -12.788) 21.134 1.936 ( 2.333 2.806 -11.494) 12.059 2.958 ( 3.983 17.595 15.526) 23.801 3.103 ( -6.830 9.868 2.773) 12.318 3.411 ( 0.357 7.460 4.829) 8.894 3.556 ( 0.745 7.335 -6.473) 9.811 3.702 ( 3.565 1.794 5.941) 7.157 3.918 ( -3.003 -1.015 -6.802) 7.504 4.050 ( -1.361 1.100 0.359) 1.786 4.176 ( 1.292 -3.367 -6.408) 7.353 4.511 ( 4.573 0.875 4.581) 6.531 4.556 ( -2.069 2.813 0.388) 3.513 4.812 ( -3.343 -2.075 1.898) 4.368 4.866 ( 4.937 -1.392 -1.398) 5.316 5.053 ( 1.239 0.391 4.999) 5.165 5.163 ( -4.431 -7.194 -3.730) 9.236 5.326 ( -3.358 2.670 1.863) 4.678 5.388 ( 1.687 1.775 -3.881) 4.589 5.581 ( 4.858 -8.331 8.271) 12.705 5.629 ( -5.999 -4.189 2.077) 7.606 5.660 ( -2.793 -5.125 3.514) 6.813 5.730 ( 4.206 -4.842 -2.584) 6.914 5.850 ( 3.148 -3.423 -7.313) 8.667 6.016 ( -0.300 -5.230 -15.719) 16.569 6.456 ( -3.935 -6.880 6.176) 10.048 6.495 ( 4.529 -1.469 -0.768) 4.823 6.512 ( -7.100 -4.858 5.110) 10.006 6.717 ( 7.597 -8.101 -10.693) 15.418 7.097 ( 1.453 0.592 1.830) 2.410 7.114 ( -2.307 -0.614 0.556) 2.451 7.676 ( 0.915 -0.765 2.917) 3.151 7.737 ( -0.451 1.529 -1.949) 2.518 7.977 ( -8.345 -2.128 4.360) 9.653 8.003 ( 3.746 -0.158 3.538) 5.155 8.092 ( 2.737 -0.557 -2.396) 3.680 8.107 ( 0.588 2.267 -2.165) 3.189 8.375 ( 0.093 -0.020 0.674) 0.680 8.406 ( 0.025 -0.437 -2.765) 2.800 8.623 ( -4.540 1.797 10.643) 11.710 8.809 ( 5.637 1.780 -6.961) 9.132 8.931 ( -0.779 0.060 2.710) 2.820 8.987 ( 0.806 -0.892 -2.205) 2.511 9.819 ( 3.309 1.506 5.805) 6.850 9.981 ( -7.596 3.416 -8.834) 12.141 10.096 ( 1.734 -2.692 5.394) 6.273 10.294 ( -5.165 -2.176 -11.769) 13.036 11.065 ( 8.928 4.924 -0.017) 10.196 11.079 ( -3.446 5.230 -1.114) 6.362 11.844 ( -2.487 0.517 4.198) 4.907 11.897 ( 2.346 1.968 -0.840) 3.176 12.489 ( 5.947 -6.123 13.516) 15.986 12.694 ( -4.737 -3.555 -6.599) 8.867 13.713 ( -0.708 -1.671 2.547) 3.127 13.788 ( 0.956 -4.200 -4.279) 6.071 14.853 ( 22.304 -8.712 15.669) 28.616 15.149 ( -22.906 -7.556 -12.622) 27.223 16.114 ( 14.555 3.396 11.094) 18.613 16.307 ( -9.771 4.814 -7.314) 13.120 18.490 ( -9.358 -5.573 17.838) 20.900 18.880 ( 7.337 -6.709 -18.958) 21.407 20.488 ( 1.358 6.029 20.747) 21.648 20.912 ( -1.833 5.226 -19.341) 20.119 22.516 ( -1.409 0.690 1.222) 1.989 22.544 ( 1.292 0.478 -1.404) 1.967 ======================= Grid point 246 (119/141) ======================= q-point: (-0.20 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 2.899 18.000 7.016) 19.536 1.578 ( 4.571 16.531 -13.332) 21.724 1.757 ( 14.378 8.880 13.009) 21.327 2.037 ( 19.047 5.800 -12.451) 23.483 2.890 ( -3.007 9.834 -0.877) 10.321 2.932 ( 2.585 15.586 13.998) 21.108 3.380 ( 0.442 5.633 1.773) 5.922 3.482 ( 4.580 12.013 -8.676) 15.510 3.713 ( -5.130 0.419 2.621) 5.776 3.873 ( 3.688 -1.033 0.202) 3.835 4.109 ( 3.268 -2.835 6.911) 8.154 4.186 ( 2.426 -1.054 -8.696) 9.089 4.431 ( -3.463 0.037 -0.428) 3.489 4.656 ( 5.678 -0.941 -2.186) 6.157 4.786 ( -0.588 0.771 2.117) 2.329 4.960 ( 8.308 3.188 -2.461) 9.233 5.060 ( -9.510 -0.250 -4.614) 10.573 5.078 ( -3.377 0.217 9.555) 10.136 5.289 ( -0.505 0.402 2.042) 2.142 5.397 ( 2.576 0.932 -2.317) 3.587 5.548 ( -9.462 -6.257 -0.437) 11.352 5.655 ( -4.614 -7.858 -0.047) 9.112 5.739 ( -0.851 -8.364 8.059) 11.646 5.822 ( 4.082 -2.285 0.132) 4.680 5.978 ( 2.420 -2.926 -12.266) 12.840 6.039 ( 8.666 -9.665 -4.692) 13.803 6.404 ( -6.336 -2.551 -0.481) 6.847 6.506 ( -4.132 -3.968 8.381) 10.152 6.624 ( 5.950 -2.331 1.552) 6.576 6.918 ( 9.765 -9.878 -10.683) 17.524 7.063 ( -4.048 -0.876 0.610) 4.187 7.137 ( 1.496 -1.912 1.957) 3.118 7.631 ( -6.122 0.570 0.697) 6.188 7.675 ( -4.245 0.987 -0.884) 4.447 7.843 ( -8.644 3.928 5.595) 11.020 7.928 ( -8.056 1.550 -1.099) 8.277 8.138 ( 6.436 -0.348 -0.396) 6.458 8.283 ( 10.920 1.047 1.227) 11.038 8.346 ( 0.342 1.542 -1.458) 2.149 8.421 ( 0.114 0.417 -0.452) 0.625 8.544 ( -8.412 0.851 6.968) 10.956 8.870 ( 6.318 -1.811 -7.511) 9.980 8.963 ( 4.371 0.740 2.055) 4.887 9.022 ( 3.661 -1.599 -2.561) 4.745 9.831 ( -2.588 3.199 -1.668) 4.440 9.908 ( 4.337 1.118 5.506) 7.098 10.175 ( -1.276 -3.248 2.223) 4.138 10.233 ( 0.549 -2.895 -0.335) 2.966 10.911 ( -4.614 5.763 -4.808) 8.810 11.204 ( 10.910 4.594 -3.401) 12.317 11.774 ( -4.995 1.509 2.886) 5.963 11.963 ( 6.161 0.684 -0.601) 6.228 12.602 ( -6.960 -4.478 -7.302) 11.037 12.686 ( 4.018 -5.689 8.326) 10.855 13.722 ( -2.668 -2.509 3.718) 5.219 13.792 ( -3.005 -3.192 -5.119) 6.740 14.806 ( -18.876 -5.791 -11.560) 22.880 15.466 ( 26.610 -16.598 12.093) 33.613 16.055 ( -9.502 5.706 -11.095) 15.682 16.392 ( 18.788 0.231 5.586) 19.603 18.467 ( -12.175 -5.358 20.195) 24.182 18.984 ( 6.521 -9.055 -14.780) 18.520 20.446 ( -10.268 9.773 9.455) 17.040 20.773 ( 3.832 5.779 -8.775) 11.184 22.488 ( -1.473 1.124 1.151) 2.182 22.556 ( 1.598 0.854 -1.094) 2.117 ======================= Grid point 247 (120/141) ======================= q-point: (-0.10 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 4.779 10.189 -10.695) 15.525 1.567 ( 10.314 5.583 8.957) 14.757 2.041 ( 19.777 7.824 15.281) 26.189 2.192 ( 15.146 11.093 -9.587) 21.080 2.818 ( 7.892 4.987 -8.542) 12.654 2.963 ( 9.849 13.017 8.919) 18.600 3.187 ( -9.707 5.363 -10.989) 15.612 3.489 ( 6.774 4.143 6.577) 10.310 3.718 ( 4.743 1.411 0.483) 4.972 3.930 ( -1.400 -2.322 -1.229) 2.977 4.159 ( 2.279 2.293 -4.454) 5.503 4.262 ( 5.482 -2.338 2.879) 6.619 4.487 ( 8.401 -3.419 1.683) 9.225 4.649 ( -4.735 0.051 -3.121) 5.671 4.797 ( -0.703 3.371 -1.255) 3.665 4.908 ( -0.552 1.489 -5.465) 5.691 5.000 ( 0.459 5.537 4.283) 7.016 5.099 ( 2.728 -1.253 6.445) 7.110 5.282 ( -1.063 0.920 0.824) 1.630 5.418 ( 2.884 2.093 0.180) 3.568 5.464 ( -7.228 -6.621 -4.092) 10.622 5.665 ( -5.241 -8.104 3.354) 10.217 5.800 ( -2.292 -6.338 2.782) 7.291 5.955 ( 2.627 -8.595 5.876) 10.738 5.995 ( 2.370 -3.732 -6.581) 7.928 6.220 ( 3.699 -6.996 -3.193) 8.534 6.331 ( -4.869 -1.676 -1.055) 5.256 6.532 ( 0.534 -0.293 5.932) 5.963 6.722 ( 3.090 -1.128 1.650) 3.680 6.924 ( -7.507 -2.344 -5.468) 9.578 7.109 ( 4.515 -0.399 -1.882) 4.907 7.202 ( 1.977 -2.643 -0.858) 3.410 7.528 ( -9.180 3.190 2.338) 9.996 7.601 ( -0.403 -6.129 -5.110) 7.990 7.689 ( -8.874 3.876 5.591) 11.181 7.823 ( -2.923 -0.844 -1.023) 3.210 8.210 ( -2.890 9.166 3.004) 10.070 8.232 ( 2.253 1.756 -1.448) 3.203 8.350 ( -4.643 2.424 2.455) 5.785 8.442 ( -3.595 -4.848 -2.010) 6.362 8.515 ( 4.789 -1.392 1.733) 5.279 8.987 ( 9.422 -0.012 -2.679) 9.796 9.037 ( 5.850 -0.251 -3.322) 6.732 9.150 ( 11.045 -2.701 -1.728) 11.501 9.769 ( -1.714 4.736 2.510) 5.627 9.974 ( 1.621 0.703 4.346) 4.692 10.178 ( -0.713 -4.836 -4.559) 6.684 10.318 ( 2.645 -0.355 10.471) 10.806 10.791 ( 0.316 4.257 -7.014) 8.211 11.292 ( 7.377 3.181 -3.937) 8.946 11.681 ( -6.228 2.811 3.343) 7.607 12.059 ( 5.857 -0.832 -4.450) 7.402 12.499 ( -7.158 -5.126 -4.259) 9.780 12.809 ( 1.967 -3.994 3.037) 5.389 13.699 ( -5.994 -1.520 -2.206) 6.566 13.720 ( -3.330 -0.971 1.601) 3.821 14.577 ( -9.434 -3.322 -8.237) 12.957 15.780 ( -9.805 1.735 -14.202) 17.345 16.019 ( 16.998 -7.849 5.093) 19.403 16.820 ( 26.693 -13.292 -3.442) 30.017 18.389 ( -16.074 -4.076 21.070) 26.813 19.129 ( 5.571 -11.866 -7.428) 15.067 20.096 ( -14.966 17.625 -3.717) 23.419 20.812 ( 4.826 3.158 5.030) 7.653 22.462 ( -0.844 1.342 1.125) 1.944 22.566 ( 1.409 1.332 -0.809) 2.101 ======================= Grid point 252 (121/141) ======================= q-point: ( 0.40 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( -12.421 -0.000 5.359) 13.528 2.327 ( -5.265 -0.000 -4.055) 6.645 2.551 ( -22.183 -0.000 0.911) 22.202 2.594 ( -18.494 -0.000 1.709) 18.573 3.235 ( 0.102 0.000 9.316) 9.317 3.266 ( 4.374 0.000 3.056) 5.336 3.626 ( 4.923 0.000 3.655) 6.132 3.706 ( -5.837 -0.000 5.383) 7.940 3.738 ( 10.611 0.000 -12.557) 16.441 3.857 ( 4.614 0.000 2.355) 5.180 3.980 ( 1.644 0.000 5.740) 5.971 4.253 ( 2.874 0.000 -11.961) 12.302 4.306 ( 4.681 0.000 3.611) 5.912 4.493 ( 10.091 0.000 -4.531) 11.062 4.615 ( -5.088 -0.000 -10.099) 11.308 4.651 ( 0.125 0.000 8.581) 8.581 4.890 ( 6.386 0.000 1.131) 6.485 4.932 ( -7.310 -0.000 -5.134) 8.933 5.159 ( -2.074 -0.000 10.918) 11.113 5.411 ( 3.141 0.000 -7.844) 8.450 5.587 ( -2.684 -0.000 1.848) 3.259 5.658 ( -5.769 -0.000 2.518) 6.294 5.667 ( -8.821 -0.000 -0.136) 8.822 5.864 ( -5.622 -0.000 1.526) 5.826 5.925 ( 2.244 0.000 -0.560) 2.313 6.018 ( -5.290 -0.000 -4.217) 6.765 6.327 ( -4.592 -0.000 3.964) 6.067 6.508 ( -6.803 -0.000 3.955) 7.869 6.570 ( -4.087 -0.000 -2.141) 4.614 6.595 ( 3.120 0.000 -11.115) 11.545 7.051 ( 6.853 0.000 -0.231) 6.857 7.108 ( 0.907 0.000 -0.496) 1.034 7.447 ( 2.735 0.000 5.280) 5.947 7.596 ( 3.511 0.000 2.674) 4.414 7.777 ( 6.703 0.000 -4.651) 8.159 7.956 ( -0.498 -0.000 4.809) 4.835 8.019 ( -0.498 -0.000 1.756) 1.826 8.233 ( 1.752 0.000 -0.796) 1.924 8.427 ( 2.503 0.000 -1.354) 2.846 8.483 ( -0.657 -0.000 -3.180) 3.247 8.770 ( -13.456 -0.000 6.755) 15.057 8.789 ( 6.432 0.000 -4.407) 7.797 8.934 ( -3.522 -0.000 1.156) 3.706 9.189 ( -9.762 -0.000 -3.467) 10.359 9.727 ( 0.455 0.000 2.333) 2.377 9.889 ( 0.714 0.000 2.517) 2.616 10.553 ( 3.530 0.000 -17.259) 17.617 10.570 ( -7.697 -0.000 -12.415) 14.607 10.837 ( 1.868 0.000 6.475) 6.739 11.333 ( 1.345 0.000 7.361) 7.483 11.763 ( -10.279 -0.000 5.347) 11.586 12.007 ( 11.977 0.000 3.029) 12.354 12.071 ( -2.228 -0.000 6.997) 7.343 12.749 ( -1.411 -0.000 -3.304) 3.592 13.620 ( 1.757 0.000 -1.730) 2.466 13.778 ( -2.003 -0.000 -1.050) 2.262 14.363 ( -2.893 -0.000 -1.241) 3.148 15.394 ( 10.474 0.000 11.116) 15.273 15.929 ( -11.499 -0.000 -3.835) 12.122 16.767 ( -12.056 -0.000 0.268) 12.058 18.486 ( -8.581 -0.000 11.989) 14.743 18.691 ( 9.556 0.000 -19.127) 21.381 20.349 ( 3.859 0.000 18.320) 18.722 21.102 ( 4.410 0.000 -12.967) 13.697 22.488 ( 1.536 0.000 -0.234) 1.554 22.560 ( -0.194 -0.000 0.122) 0.229 ======================= Grid point 254 (122/141) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -12.023 2.793 3.231) 12.759 2.090 ( -16.350 1.420 -5.042) 17.169 2.326 ( -3.734 7.665 -1.679) 8.690 2.335 ( -10.361 8.350 2.744) 13.587 3.253 ( -2.718 2.148 8.761) 9.421 3.286 ( 1.622 6.741 3.961) 7.985 3.587 ( -2.820 5.699 7.642) 9.941 3.687 ( 3.001 2.757 0.271) 4.084 3.767 ( -0.404 -0.349 -8.259) 8.276 3.960 ( 1.511 -5.714 -6.040) 8.451 4.009 ( 0.426 2.958 6.801) 7.429 4.204 ( 0.726 3.399 -11.209) 11.735 4.415 ( 7.377 0.844 3.550) 8.230 4.599 ( 4.642 -3.627 -5.946) 8.370 4.670 ( -1.335 -2.759 4.778) 5.677 4.689 ( 2.503 -3.903 0.523) 4.666 4.912 ( 7.652 -4.785 -2.550) 9.378 5.034 ( 6.350 -3.080 4.402) 8.318 5.249 ( 4.366 -2.968 10.866) 12.081 5.424 ( 1.577 3.084 -4.507) 5.684 5.476 ( -7.634 3.207 -0.765) 8.316 5.525 ( -3.146 2.380 0.272) 3.954 5.613 ( -6.783 -5.942 1.588) 9.157 5.770 ( -8.910 -1.994 1.491) 9.251 5.904 ( -0.249 3.091 -5.221) 6.073 5.951 ( -0.622 -1.502 -4.510) 4.794 6.292 ( -4.447 -3.493 4.995) 7.545 6.431 ( -7.000 -4.388 3.835) 9.109 6.501 ( 0.777 3.330 -4.297) 5.492 6.598 ( 0.968 -2.635 -10.840) 11.198 7.105 ( 2.232 2.017 -0.538) 3.056 7.131 ( 1.166 -0.525 -0.410) 1.343 7.533 ( 5.710 -0.560 3.887) 6.930 7.655 ( -0.272 -3.861 2.323) 4.514 7.887 ( 8.530 -1.579 -4.294) 9.680 7.961 ( -0.622 2.596 5.638) 6.238 8.040 ( -0.518 -1.948 2.641) 3.322 8.239 ( -1.229 0.548 -0.903) 1.621 8.402 ( -4.197 0.857 -3.892) 5.788 8.432 ( -1.303 -0.188 -2.082) 2.463 8.673 ( -3.040 0.847 9.352) 9.870 8.848 ( 3.762 1.868 -3.021) 5.174 8.900 ( -1.930 -1.451 2.114) 3.209 9.044 ( -5.640 0.513 -4.370) 7.153 9.773 ( 3.088 0.185 4.241) 5.250 9.933 ( 1.735 -1.519 5.019) 5.524 10.332 ( -11.134 2.004 -15.838) 19.463 10.432 ( -5.517 -0.230 -18.385) 19.196 10.972 ( 10.176 1.694 5.274) 11.586 11.306 ( -6.843 1.804 1.945) 7.339 11.752 ( 3.453 -0.919 9.050) 9.730 12.015 ( -5.792 1.620 4.013) 7.230 12.210 ( 8.435 -1.524 8.449) 12.035 12.702 ( -2.798 -1.337 -5.962) 6.721 13.654 ( 2.201 -1.042 -0.472) 2.480 13.742 ( -1.413 0.002 -1.858) 2.334 14.429 ( 8.484 -1.218 8.598) 12.140 15.366 ( -15.047 -2.614 -10.516) 18.543 15.932 ( 9.262 1.238 13.048) 16.049 16.581 ( -9.686 1.385 -4.001) 10.571 18.434 ( -6.834 -1.531 13.534) 15.239 18.738 ( 7.324 -1.430 -19.155) 20.557 20.483 ( 2.700 2.041 19.627) 19.917 21.079 ( 1.591 0.923 -15.304) 15.414 22.512 ( 1.435 -0.189 -0.069) 1.450 22.553 ( -0.730 0.001 -0.040) 0.732 ======================= Grid point 255 (123/141) ======================= q-point: (-0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 1.441 5.427 5.234) 7.677 1.896 ( -0.445 0.702 -7.497) 7.543 2.109 ( -2.887 17.206 1.863) 17.546 2.181 ( 2.527 17.016 -5.060) 17.932 3.216 ( -2.346 4.609 8.469) 9.923 3.246 ( -0.813 8.112 5.885) 10.055 3.538 ( -3.070 4.995 7.669) 9.653 3.686 ( 1.428 5.276 -1.704) 5.725 3.749 ( 5.395 2.222 -2.375) 6.300 3.911 ( -3.458 0.116 -5.936) 6.871 4.046 ( -0.676 -1.563 -0.461) 1.764 4.151 ( 2.873 2.223 -7.088) 7.965 4.529 ( 2.283 0.824 4.440) 5.060 4.592 ( -2.245 0.738 -0.203) 2.372 4.697 ( -3.982 -7.887 1.912) 9.040 4.793 ( 6.559 -6.784 -4.472) 10.442 5.051 ( -2.396 -1.811 3.180) 4.374 5.092 ( -0.694 2.309 -0.192) 2.418 5.320 ( -2.792 -1.841 8.701) 9.322 5.416 ( -2.525 0.330 0.947) 2.717 5.491 ( 7.086 -1.166 2.039) 7.465 5.534 ( 5.099 -5.004 2.188) 7.472 5.567 ( -2.651 -3.303 -2.251) 4.796 5.652 ( -5.460 -2.861 -2.789) 6.766 5.858 ( 1.679 1.923 -5.695) 6.242 5.955 ( 2.458 -0.902 -8.219) 8.626 6.315 ( -2.204 -5.911 8.003) 10.191 6.407 ( -5.524 -6.483 3.215) 9.104 6.500 ( 4.282 1.574 -3.386) 5.682 6.591 ( 2.745 -3.798 -11.254) 12.191 7.116 ( 1.050 1.051 0.587) 1.598 7.120 ( -2.113 0.836 0.260) 2.287 7.642 ( 0.028 -2.350 3.583) 4.285 7.702 ( 2.171 -5.182 -1.327) 5.773 7.918 ( -6.757 -0.351 5.370) 8.638 8.007 ( 4.626 -0.906 -0.706) 4.766 8.079 ( 4.068 -0.150 0.734) 4.136 8.157 ( -2.710 2.464 -3.307) 4.935 8.371 ( 0.307 0.065 0.221) 0.384 8.395 ( -1.174 -0.655 -2.295) 2.660 8.680 ( -1.563 3.098 10.296) 10.865 8.854 ( 2.785 2.290 -3.985) 5.374 8.922 ( 1.039 -1.142 0.619) 1.663 8.962 ( -1.965 -1.243 -3.148) 3.914 9.857 ( 5.350 2.131 7.212) 9.229 10.006 ( -1.969 -1.394 4.206) 4.849 10.082 ( -4.749 1.697 -8.445) 9.836 10.258 ( -6.790 -1.535 -13.733) 15.396 11.142 ( 11.152 2.758 0.394) 11.495 11.164 ( -6.270 3.159 -1.288) 7.138 11.868 ( 1.551 1.807 6.172) 6.616 11.928 ( -0.895 0.790 0.555) 1.316 12.397 ( 6.040 -2.984 12.596) 14.284 12.624 ( -5.442 -3.207 -8.556) 10.635 13.689 ( 0.211 -0.846 0.727) 1.135 13.725 ( -0.161 -2.080 -2.536) 3.284 14.730 ( 18.388 -3.992 14.960) 24.038 15.036 ( -20.293 -3.897 -13.885) 24.896 16.171 ( 13.335 2.154 12.017) 18.079 16.383 ( -9.089 2.811 -8.208) 12.565 18.418 ( -6.560 -2.172 15.189) 16.687 18.777 ( 6.231 -3.642 -18.734) 20.076 20.582 ( 0.695 3.386 20.654) 20.941 20.985 ( -1.278 2.435 -17.472) 17.687 22.526 ( -0.640 0.408 0.848) 1.138 22.545 ( 0.559 -0.345 -0.895) 1.110 ======================= Grid point 256 (124/141) ======================= q-point: (-0.30 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 4.807 16.758 4.896) 18.108 1.872 ( 10.972 11.019 -3.686) 15.981 2.027 ( 7.734 19.424 -1.093) 20.936 2.131 ( 20.287 5.818 -4.154) 21.509 3.092 ( -7.431 10.009 2.022) 12.629 3.193 ( 0.934 10.287 8.778) 13.555 3.479 ( -2.264 4.355 4.385) 6.582 3.671 ( 6.435 5.197 -1.150) 8.351 3.780 ( -3.269 6.349 -6.078) 9.377 3.861 ( 3.550 0.235 0.924) 3.676 4.036 ( -1.204 -3.706 3.212) 5.050 4.166 ( 3.365 -0.581 -7.435) 8.182 4.438 ( -6.359 1.063 1.018) 6.527 4.622 ( -0.484 -2.815 -2.022) 3.499 4.750 ( 1.833 -4.435 3.481) 5.929 4.908 ( -1.523 -8.452 -6.251) 10.622 4.990 ( -1.636 -5.071 0.750) 5.381 5.085 ( -3.462 0.367 5.632) 6.622 5.287 ( -6.444 -1.707 4.144) 7.850 5.385 ( 0.081 -0.068 1.081) 1.086 5.464 ( -5.622 -0.225 1.915) 5.943 5.563 ( -1.359 -2.744 -7.713) 8.299 5.643 ( 2.578 -1.708 8.131) 8.699 5.807 ( 7.371 -2.274 -4.241) 8.802 5.874 ( 5.749 -4.537 -1.854) 7.555 5.981 ( 7.905 2.232 -9.187) 12.324 6.354 ( -3.754 -2.517 1.591) 4.792 6.426 ( -0.963 -4.821 9.165) 10.400 6.571 ( 5.993 -2.185 -2.146) 6.730 6.699 ( 7.878 -10.772 -10.480) 16.969 7.060 ( -3.982 0.906 1.040) 4.214 7.122 ( -0.440 -0.153 1.258) 1.341 7.616 ( -6.087 -2.332 -0.052) 6.519 7.706 ( -4.075 2.056 -1.039) 4.681 7.866 ( -5.761 -2.456 5.750) 8.502 7.990 ( -6.570 4.984 1.459) 8.374 8.085 ( 4.131 -3.527 -2.845) 6.132 8.262 ( 9.980 -2.260 -1.901) 10.407 8.355 ( -0.817 0.027 0.500) 0.958 8.410 ( 0.947 -0.503 -0.328) 1.121 8.629 ( -5.679 5.299 8.400) 11.441 8.859 ( 4.461 0.595 -8.448) 9.573 8.966 ( 4.596 -0.942 1.826) 5.034 8.986 ( 2.324 -1.590 -0.739) 2.911 9.870 ( -4.082 1.094 -5.724) 7.115 9.964 ( 5.275 4.119 9.875) 11.929 10.114 ( -3.392 -2.753 -3.794) 5.786 10.182 ( 3.016 -2.534 5.708) 6.935 11.017 ( -4.463 4.742 -5.018) 8.221 11.288 ( 10.224 3.646 -2.596) 11.161 11.804 ( -4.480 1.463 2.918) 5.544 11.993 ( 5.818 2.359 -0.603) 6.307 12.507 ( -7.103 -4.848 -8.666) 12.209 12.583 ( 3.718 -4.591 10.190) 11.779 13.683 ( -2.202 -1.407 0.879) 2.757 13.740 ( -0.284 -2.001 -2.150) 2.950 14.709 ( -16.301 -3.988 -12.036) 20.651 15.207 ( 22.493 -9.603 15.147) 28.768 16.154 ( -9.099 4.189 -12.036) 15.659 16.420 ( 14.770 1.877 7.751) 16.785 18.401 ( -7.971 -1.883 16.588) 18.499 18.835 ( 6.026 -6.000 -16.894) 18.914 20.604 ( -5.637 6.418 15.878) 18.030 20.853 ( -0.138 2.627 -13.624) 13.876 22.504 ( -1.516 0.568 0.821) 1.815 22.561 ( 1.150 -0.297 -0.745) 1.402 ======================= Grid point 257 (125/141) ======================= q-point: (-0.20 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 5.080 23.000 1.587) 23.608 1.825 ( 6.492 18.618 -2.882) 19.927 2.192 ( 21.451 8.332 9.167) 24.771 2.414 ( 20.384 9.940 -4.122) 23.050 2.911 ( -0.072 6.061 -3.258) 6.882 3.174 ( 4.495 8.414 6.926) 11.789 3.332 ( -12.536 7.763 -6.175) 15.986 3.607 ( -0.588 7.608 1.000) 7.696 3.757 ( 7.591 3.180 -0.007) 8.231 3.893 ( -0.661 -1.297 -0.049) 1.456 4.132 ( 1.314 -6.127 2.329) 6.685 4.213 ( 5.986 -1.765 -3.739) 7.275 4.418 ( 3.662 -2.495 -1.323) 4.624 4.606 ( -2.306 -3.120 -2.735) 4.747 4.835 ( -9.929 -6.074 -4.843) 12.608 4.856 ( 4.646 -1.425 1.995) 5.253 5.038 ( -6.236 -2.542 5.655) 8.794 5.093 ( 5.631 -3.661 -0.664) 6.749 5.245 ( -3.958 -3.682 1.777) 5.690 5.404 ( -0.012 -1.673 0.983) 1.940 5.418 ( -0.695 0.866 3.608) 3.775 5.554 ( 0.610 -2.442 -4.599) 5.243 5.710 ( -1.594 -2.723 10.237) 10.712 5.793 ( -0.646 1.367 -2.448) 2.878 6.055 ( 9.106 0.182 -7.616) 11.873 6.075 ( 5.988 -4.570 -0.987) 7.598 6.312 ( -2.474 -0.186 -1.151) 2.735 6.518 ( 3.582 -1.247 6.798) 7.785 6.682 ( 3.969 -3.209 0.602) 5.139 6.836 ( -2.236 -7.152 -8.285) 11.171 7.063 ( 5.662 -3.809 -0.674) 6.857 7.130 ( 0.449 -3.784 -0.413) 3.833 7.498 ( -8.105 -0.523 -3.908) 9.013 7.606 ( -5.961 2.103 0.699) 6.359 7.786 ( -6.496 1.603 4.431) 8.025 7.829 ( -7.721 4.954 3.027) 9.660 8.190 ( 3.573 -4.822 -1.278) 6.136 8.319 ( -1.690 -1.248 -2.063) 2.945 8.388 ( -1.440 0.215 1.224) 1.902 8.412 ( -2.647 3.047 0.637) 4.086 8.509 ( -2.038 2.599 4.683) 5.731 8.957 ( 12.092 -1.641 -6.422) 13.790 9.031 ( 2.371 -1.536 -2.033) 3.481 9.116 ( 11.356 -0.527 1.781) 11.507 9.821 ( 0.286 0.351 -2.213) 2.259 10.007 ( -1.212 1.269 5.509) 5.782 10.102 ( 1.098 -1.249 1.150) 2.022 10.314 ( 4.407 -0.257 12.028) 12.812 10.886 ( -1.434 5.073 -8.076) 9.644 11.359 ( 5.392 3.544 -3.904) 7.541 11.740 ( -4.234 2.895 3.926) 6.459 12.052 ( 5.286 0.434 -5.211) 7.436 12.394 ( -7.110 -5.455 -7.642) 11.777 12.722 ( 2.317 -4.524 6.833) 8.516 13.658 ( -3.737 -2.139 0.432) 4.327 13.723 ( -1.115 0.813 -0.694) 1.544 14.508 ( -7.520 -3.531 -7.307) 11.065 15.676 ( 8.172 -11.167 0.475) 13.846 15.953 ( 1.882 1.995 -5.234) 5.909 16.695 ( 17.610 -1.359 2.910) 17.900 18.350 ( -10.450 -0.720 16.811) 19.807 18.929 ( 5.988 -8.370 -12.841) 16.456 20.386 ( -12.298 12.471 -0.767) 17.531 20.846 ( 2.373 0.326 2.503) 3.464 22.481 ( -1.084 0.565 0.925) 1.533 22.577 ( 1.031 -0.135 -0.685) 1.245 ======================= Grid point 258 (126/141) ======================= q-point: (-0.10 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 6.631 19.564 -2.144) 20.768 1.842 ( 9.935 7.949 8.140) 15.105 2.438 ( 10.347 10.637 -2.933) 15.127 2.487 ( 10.790 11.562 8.995) 18.194 2.946 ( -6.479 3.164 -10.756) 12.949 3.007 ( 4.231 4.636 -2.434) 6.732 3.246 ( 8.152 3.496 -0.653) 8.894 3.619 ( 3.673 1.368 4.270) 5.796 3.821 ( 2.384 -0.562 -5.017) 5.583 3.864 ( -0.294 2.393 -1.515) 2.847 4.133 ( -5.130 -2.507 -3.964) 6.951 4.371 ( 9.736 -2.037 3.278) 10.473 4.527 ( 0.817 -5.527 -3.682) 6.692 4.637 ( 4.041 -1.648 5.473) 7.000 4.712 ( -2.998 -1.164 -5.305) 6.204 4.917 ( -0.333 -0.989 0.902) 1.379 5.025 ( 0.244 -0.662 1.025) 1.244 5.175 ( -1.305 -4.427 0.712) 4.670 5.264 ( 7.513 3.538 -1.481) 8.436 5.430 ( 3.176 3.741 2.594) 5.551 5.449 ( -3.045 -7.649 6.311) 10.373 5.568 ( 1.412 0.979 -0.617) 1.826 5.724 ( -2.841 -3.400 3.435) 5.606 5.845 ( -0.382 -11.105 5.877) 12.570 6.130 ( 7.987 6.406 -2.466) 10.531 6.157 ( -2.009 -6.294 -2.067) 6.923 6.274 ( -1.320 0.420 -1.263) 1.875 6.587 ( 0.638 2.240 -0.044) 2.330 6.706 ( -5.855 0.304 -0.333) 5.872 6.802 ( 1.516 -4.790 -1.126) 5.149 7.135 ( 0.452 -1.777 -0.281) 1.855 7.222 ( 2.071 2.003 -5.848) 6.519 7.406 ( -5.739 -3.841 -0.087) 6.906 7.509 ( 1.893 -6.060 -6.738) 9.258 7.651 ( -9.163 8.727 10.392) 16.375 7.761 ( -1.035 -4.061 0.115) 4.192 8.201 ( -8.198 5.578 2.471) 10.219 8.279 ( -0.669 1.035 -0.444) 1.310 8.289 ( -2.365 -1.882 -0.754) 3.115 8.335 ( -3.362 1.294 -0.404) 3.625 8.551 ( 0.701 -2.534 1.089) 2.845 9.062 ( 1.326 -0.252 -1.897) 2.328 9.171 ( 13.607 -2.145 -4.381) 14.455 9.330 ( 12.639 -0.902 0.931) 12.705 9.816 ( 1.532 3.400 -0.636) 3.783 9.996 ( -1.825 -0.064 3.393) 3.853 10.136 ( 0.254 -0.941 2.504) 2.687 10.422 ( 2.832 1.230 10.799) 11.232 10.828 ( 3.926 2.266 -5.233) 6.923 11.376 ( 2.802 1.499 -3.742) 4.910 11.620 ( -8.624 3.967 3.103) 9.986 12.057 ( 0.125 0.706 -14.455) 14.473 12.362 ( -1.628 -6.062 1.406) 6.433 12.809 ( 1.100 -3.272 2.875) 4.492 13.626 ( -2.004 -1.227 1.836) 2.982 13.707 ( 0.694 1.858 1.982) 2.804 14.449 ( -1.198 -1.566 -2.165) 2.929 15.542 ( -10.894 -0.206 -19.226) 22.099 16.224 ( 13.191 -5.877 6.058) 15.660 17.043 ( 17.948 -9.761 -1.190) 20.465 18.244 ( -11.488 1.174 14.238) 18.332 19.064 ( 4.897 -10.555 -6.605) 13.380 20.026 ( -12.655 15.877 -3.330) 20.575 20.901 ( 1.926 -0.079 4.741) 5.118 22.468 ( -0.366 0.676 0.831) 1.132 22.588 ( 0.690 0.317 -0.519) 0.920 ======================= Grid point 264 (127/141) ======================= q-point: (-0.50 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 4.272 -0.000 2.216) 4.813 1.891 ( -3.119 -0.000 -4.827) 5.747 2.298 ( -2.725 -0.000 3.978) 4.822 2.371 ( 3.419 -0.000 -2.680) 4.344 3.241 ( -4.239 -0.000 10.840) 11.640 3.338 ( -0.363 -0.000 1.445) 1.489 3.586 ( -4.057 -0.000 8.503) 9.421 3.734 ( 1.528 -0.000 3.036) 3.399 3.776 ( 5.150 -0.000 -9.557) 10.856 3.901 ( -0.325 -0.000 -11.416) 11.421 4.042 ( -1.634 -0.000 6.490) 6.692 4.201 ( 1.995 -0.000 -9.355) 9.565 4.538 ( 6.625 -0.000 2.795) 7.190 4.585 ( -8.435 -0.000 5.150) 9.883 4.608 ( -6.380 0.000 -2.763) 6.953 4.696 ( 10.055 -0.000 -4.853) 11.165 5.051 ( -7.422 0.000 5.988) 9.536 5.107 ( 8.294 -0.000 1.771) 8.481 5.310 ( -4.352 -0.000 9.257) 10.229 5.423 ( -1.663 0.000 -0.822) 1.855 5.441 ( 4.955 -0.000 3.269) 5.936 5.517 ( 2.559 -0.000 -1.795) 3.126 5.532 ( 1.657 0.000 -0.849) 1.862 5.617 ( -6.281 -0.000 -5.904) 8.620 5.887 ( -0.728 -0.000 -3.296) 3.376 5.953 ( 4.859 -0.000 -4.397) 6.553 6.257 ( -1.024 -0.000 5.537) 5.630 6.319 ( -5.690 -0.000 5.088) 7.633 6.524 ( 2.098 -0.000 -2.636) 3.369 6.559 ( 2.588 -0.000 -12.208) 12.479 7.129 ( -0.077 -0.000 0.219) 0.233 7.130 ( -1.098 -0.000 -0.137) 1.107 7.622 ( 4.427 -0.000 1.928) 4.829 7.623 ( -2.038 0.000 1.531) 2.549 7.925 ( -7.842 -0.000 3.363) 8.532 7.995 ( 6.397 -0.000 -2.151) 6.749 8.079 ( 5.360 -0.000 2.915) 6.101 8.185 ( -3.462 -0.000 -3.938) 5.244 8.378 ( 1.916 -0.000 -1.299) 2.315 8.383 ( -3.559 0.000 -0.558) 3.603 8.716 ( -0.246 -0.000 10.139) 10.142 8.890 ( 1.505 0.000 2.830) 3.205 8.893 ( 2.374 -0.000 -3.413) 4.158 8.950 ( -3.624 -0.000 -6.042) 7.045 9.885 ( 6.892 -0.000 7.599) 10.259 9.981 ( -0.373 -0.000 7.778) 7.787 10.107 ( -7.257 -0.000 -11.586) 13.671 10.240 ( -7.464 -0.000 -14.909) 16.673 11.170 ( 11.581 -0.000 0.676) 11.601 11.196 ( -6.967 -0.000 -1.433) 7.113 11.898 ( 8.478 -0.000 6.305) 10.565 11.926 ( -7.481 -0.000 3.215) 8.143 12.371 ( 6.446 -0.000 10.467) 12.293 12.588 ( -6.059 -0.000 -9.165) 10.987 13.680 ( 1.716 -0.000 0.360) 1.754 13.706 ( -1.758 -0.000 -2.081) 2.724 14.692 ( 17.336 -0.000 14.591) 22.659 14.997 ( -19.441 -0.000 -14.202) 24.075 16.192 ( 12.969 -0.000 12.287) 17.866 16.412 ( -8.894 -0.000 -8.514) 12.312 18.397 ( -5.541 -0.000 14.168) 15.213 18.741 ( 5.656 -0.000 -18.282) 19.137 20.616 ( 0.676 -0.000 20.388) 20.399 21.009 ( -1.290 -0.000 -16.769) 16.819 22.533 ( 1.170 -0.000 0.161) 1.181 22.537 ( -1.238 -0.000 -0.175) 1.251 ======================= Grid point 266 (128/141) ======================= q-point: (-0.40 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 15.003 3.659 -2.448) 15.636 2.022 ( 15.524 0.633 -0.220) 15.539 2.282 ( 6.857 9.555 2.450) 12.013 2.391 ( 8.054 10.554 -2.667) 13.541 3.228 ( -3.167 3.249 9.307) 10.354 3.324 ( -0.281 3.150 2.718) 4.170 3.547 ( -3.753 2.154 5.569) 7.053 3.758 ( 1.485 4.494 -1.147) 4.870 3.829 ( -0.228 -1.303 -5.942) 6.087 3.846 ( 4.996 -1.355 -3.441) 6.216 4.027 ( -2.541 1.231 3.788) 4.725 4.181 ( 1.492 1.864 -8.244) 8.583 4.463 ( -7.709 -0.237 4.692) 9.027 4.518 ( -5.379 -5.056 -3.504) 8.171 4.658 ( 1.960 -3.753 2.062) 4.709 4.755 ( -6.283 -3.880 -0.692) 7.417 4.916 ( -3.261 -1.915 -2.695) 4.644 5.084 ( -6.763 -0.294 0.427) 6.782 5.279 ( -6.771 0.520 8.584) 10.946 5.427 ( 1.863 3.268 1.379) 4.006 5.468 ( -3.283 0.239 -1.976) 3.839 5.537 ( 3.756 -1.542 0.335) 4.074 5.603 ( 4.281 -2.164 -2.190) 5.273 5.712 ( 14.502 -2.855 -3.723) 15.242 5.884 ( 2.243 1.314 0.067) 2.600 6.029 ( 8.149 1.827 -6.173) 10.385 6.304 ( 0.392 -2.179 6.485) 6.853 6.317 ( -0.380 -4.576 7.410) 8.717 6.553 ( 3.691 -0.487 -4.174) 5.594 6.564 ( 4.089 -2.306 -10.107) 11.144 7.088 ( -3.331 1.530 1.084) 3.822 7.117 ( -1.882 -0.561 0.833) 2.133 7.586 ( -3.225 0.220 0.072) 3.233 7.703 ( 1.683 -3.350 -0.910) 3.858 7.803 ( -8.052 -1.170 3.074) 8.698 8.045 ( 1.075 -0.244 -0.059) 1.104 8.095 ( -2.702 4.360 -2.920) 5.902 8.208 ( 4.377 -2.995 -0.669) 5.346 8.352 ( 1.410 -0.161 1.397) 1.991 8.406 ( 1.102 -0.046 -0.048) 1.104 8.715 ( -3.928 2.908 8.210) 9.554 8.872 ( 1.344 0.063 -9.345) 9.441 8.928 ( 1.696 -1.400 -0.065) 2.200 8.974 ( 6.121 -0.278 2.821) 6.746 9.886 ( -6.074 0.511 -5.233) 8.034 10.043 ( 6.771 3.368 9.713) 12.310 10.074 ( -4.544 -1.155 -6.888) 8.333 10.131 ( 3.787 -2.496 8.400) 9.546 11.084 ( -4.094 1.817 -5.254) 6.905 11.338 ( 10.145 1.338 -1.720) 10.376 11.827 ( -5.217 0.691 1.831) 5.572 12.040 ( 7.035 1.730 1.655) 7.431 12.430 ( -8.415 -2.460 -10.963) 14.038 12.517 ( 4.044 -1.843 11.210) 12.059 13.666 ( -2.427 -0.438 -1.467) 2.870 13.714 ( 1.648 -0.652 0.532) 1.851 14.655 ( -15.427 -1.446 -12.254) 19.755 15.086 ( 20.115 -3.003 15.524) 25.586 16.211 ( -8.943 1.507 -12.541) 15.476 16.449 ( 13.621 0.864 8.649) 16.158 18.380 ( -5.899 -0.423 14.480) 15.641 18.754 ( 5.618 -2.122 -16.815) 17.855 20.693 ( -2.319 2.508 19.705) 19.999 20.883 ( -3.195 0.591 -16.838) 17.148 22.512 ( -1.474 0.292 -0.055) 1.503 22.551 ( 0.675 -0.446 0.132) 0.820 ======================= Grid point 267 (129/141) ======================= q-point: (-0.30 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 6.503 15.495 4.104) 17.298 2.150 ( 12.560 11.031 -9.262) 19.111 2.403 ( 17.774 12.615 5.189) 22.405 2.552 ( 23.702 4.949 -0.329) 24.215 3.093 ( -6.712 11.946 1.815) 13.822 3.295 ( -0.035 4.028 1.862) 4.437 3.445 ( -9.241 4.136 0.915) 10.166 3.718 ( -1.249 2.517 -2.028) 3.466 3.845 ( 7.403 1.491 -0.947) 7.611 3.923 ( -5.930 7.487 0.571) 9.568 3.973 ( 0.961 -8.307 2.832) 8.829 4.159 ( 1.101 -3.729 -4.194) 5.719 4.407 ( 0.605 0.709 -3.418) 3.543 4.525 ( -1.129 -5.762 0.799) 5.926 4.583 ( -13.395 -15.248 0.382) 20.300 4.829 ( 5.293 -2.218 1.165) 5.856 4.946 ( 1.838 -7.362 -2.562) 8.009 4.974 ( -7.263 -2.732 -1.056) 7.831 5.210 ( -4.426 1.067 8.544) 9.681 5.410 ( -0.262 -2.417 -7.498) 7.883 5.448 ( 0.590 3.663 4.958) 6.193 5.580 ( 5.790 5.656 -0.400) 8.104 5.696 ( 1.623 -1.558 5.699) 6.127 5.884 ( 4.713 3.977 -3.184) 6.940 5.919 ( 4.280 -4.448 -2.739) 6.754 6.119 ( 9.366 1.544 -6.350) 11.421 6.323 ( -0.538 1.180 2.742) 3.033 6.463 ( 5.149 -5.101 9.550) 11.989 6.619 ( 3.814 -2.840 -1.415) 4.961 6.648 ( 5.148 -8.559 -11.089) 14.924 7.026 ( -2.089 0.702 0.842) 2.359 7.092 ( -2.806 -1.272 1.624) 3.483 7.511 ( -4.096 1.821 -3.591) 5.744 7.645 ( -5.578 2.124 0.399) 5.982 7.770 ( -5.638 -3.399 1.759) 6.815 7.966 ( -5.383 7.538 3.472) 9.892 8.080 ( 2.297 -4.603 -3.557) 6.254 8.249 ( -1.720 -5.118 -2.031) 5.769 8.396 ( -1.617 0.342 0.984) 1.924 8.430 ( 3.212 0.138 1.515) 3.554 8.613 ( -7.533 5.620 5.868) 11.080 8.928 ( 9.641 -1.655 -6.658) 11.833 8.988 ( 4.046 -2.022 -1.360) 4.723 9.118 ( 10.460 0.318 2.915) 10.863 9.809 ( -1.040 -0.911 -3.700) 3.950 9.978 ( -3.907 -2.368 -3.584) 5.807 10.156 ( 3.586 4.343 12.293) 13.522 10.300 ( 6.433 -1.264 13.238) 14.772 10.974 ( -2.158 3.499 -8.668) 9.593 11.421 ( 3.727 2.443 -3.768) 5.836 11.784 ( -1.191 1.442 3.654) 4.105 12.086 ( 2.754 2.986 -4.926) 6.385 12.287 ( -6.756 -5.383 -9.662) 12.960 12.645 ( 2.744 -2.958 9.112) 9.966 13.624 ( -2.988 -1.194 -0.646) 3.282 13.742 ( 1.436 0.907 0.621) 1.808 14.447 ( -6.904 -2.464 -6.540) 9.824 15.485 ( 13.312 -7.030 7.717) 16.917 16.004 ( -4.703 2.249 -11.118) 12.280 16.701 ( 15.273 0.937 5.039) 16.110 18.346 ( -7.574 0.093 14.081) 15.989 18.805 ( 6.356 -4.206 -14.320) 16.222 20.595 ( -8.811 8.991 -0.639) 12.605 20.824 ( -0.843 -2.564 2.831) 3.911 22.487 ( -1.258 0.197 0.204) 1.289 22.566 ( 0.357 -0.817 -0.056) 0.893 ======================= Grid point 268 (130/141) ======================= q-point: (-0.20 0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 4.785 24.047 2.129) 24.611 2.082 ( 5.510 15.428 -1.351) 16.438 2.638 ( 15.245 10.034 7.651) 19.789 2.726 ( 6.255 11.475 -3.651) 13.569 3.011 ( 5.474 3.926 2.433) 7.162 3.133 ( -14.942 7.784 -6.004) 17.886 3.278 ( 1.400 0.329 -2.527) 2.907 3.680 ( 1.571 4.231 2.031) 4.949 3.810 ( -1.207 0.260 -7.930) 8.025 3.916 ( 1.870 1.992 -1.613) 3.173 4.034 ( -4.288 -6.696 -0.880) 8.000 4.274 ( 6.678 -7.476 4.893) 11.155 4.428 ( 2.485 -4.285 -4.999) 7.038 4.554 ( -4.398 -12.902 -1.431) 13.706 4.622 ( 1.973 -2.238 5.081) 5.892 4.875 ( -0.407 -2.958 -1.474) 3.330 4.951 ( 1.059 -4.673 -3.617) 6.003 5.097 ( 5.354 -5.830 4.565) 9.137 5.239 ( 2.829 -2.870 8.936) 9.803 5.378 ( -1.523 0.242 -2.963) 3.340 5.481 ( 3.086 0.036 2.852) 4.203 5.604 ( 2.948 5.101 3.081) 6.649 5.729 ( -0.073 2.055 6.008) 6.350 5.839 ( 0.464 8.201 -1.200) 8.301 6.003 ( -0.104 -8.492 -5.287) 10.004 6.217 ( 6.794 1.189 -6.295) 9.338 6.304 ( 0.121 3.119 3.055) 4.367 6.630 ( 6.105 0.052 4.501) 7.585 6.678 ( -4.051 -2.325 -6.252) 7.804 6.697 ( 1.517 -5.633 -0.614) 5.866 7.070 ( -0.421 -6.455 -2.002) 6.772 7.123 ( 8.181 -5.923 -1.952) 10.287 7.379 ( -5.401 4.486 -6.520) 9.581 7.541 ( -5.560 2.621 0.583) 6.174 7.698 ( -3.831 -1.766 0.440) 4.241 7.820 ( -7.171 8.524 9.802) 14.838 8.158 ( 0.649 -5.931 -1.319) 6.110 8.243 ( -2.642 -3.025 -3.721) 5.475 8.357 ( -2.879 0.287 0.750) 2.989 8.392 ( -6.935 6.398 2.818) 9.847 8.509 ( -1.558 -0.743 2.996) 3.457 9.032 ( 2.232 -2.573 -1.446) 3.700 9.140 ( 13.846 -0.897 -5.664) 14.986 9.321 ( 12.670 -0.215 2.502) 12.916 9.819 ( 1.689 -1.783 -2.117) 3.243 9.952 ( -1.901 -3.544 -1.165) 4.187 10.198 ( 0.453 5.343 10.986) 12.225 10.448 ( 3.952 1.157 12.298) 12.970 10.883 ( 0.746 3.016 -7.217) 7.857 11.402 ( 0.194 1.059 -4.904) 5.021 11.706 ( -8.712 4.553 3.388) 10.397 12.069 ( 3.011 0.538 -14.018) 14.348 12.247 ( -1.469 -5.466 -0.821) 5.719 12.746 ( 1.785 -2.951 5.485) 6.479 13.598 ( -1.723 -1.379 1.016) 2.430 13.754 ( 2.076 2.594 1.705) 3.734 14.412 ( 0.839 -1.995 0.002) 2.164 15.520 ( -8.917 -2.084 -18.849) 20.956 16.092 ( 11.716 -5.735 7.911) 15.256 16.967 ( 16.275 -0.050 2.478) 16.463 18.269 ( -8.836 1.239 11.769) 14.769 18.901 ( 6.792 -6.033 -10.254) 13.699 20.305 ( -11.584 12.660 -4.901) 17.846 20.869 ( -0.391 -3.082 6.445) 7.155 22.473 ( -0.660 -0.042 0.396) 0.770 22.578 ( 0.157 -1.078 -0.200) 1.107 ======================= Grid point 269 (131/141) ======================= q-point: (-0.10 0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 3.670 20.794 1.846) 21.195 2.073 ( 2.760 6.950 8.062) 10.996 2.581 ( -5.587 6.614 -10.191) 13.372 2.624 ( -8.554 10.766 -1.211) 13.804 2.921 ( 9.464 5.180 5.553) 12.134 3.142 ( 3.065 2.137 3.517) 5.132 3.310 ( 2.467 -2.028 -7.247) 7.920 3.673 ( -1.049 2.781 -4.537) 5.424 3.756 ( 0.296 -1.202 -4.507) 4.674 3.896 ( -3.406 -4.367 -3.294) 6.443 3.994 ( -1.401 1.431 -1.731) 2.647 4.457 ( 2.381 -7.135 -0.102) 7.523 4.544 ( 5.188 -1.369 5.038) 7.360 4.602 ( 0.303 -5.873 0.517) 5.904 4.720 ( 5.227 -6.019 0.941) 8.027 4.900 ( -0.972 -2.541 0.107) 2.723 5.009 ( 2.908 -3.243 -4.176) 6.034 5.232 ( 6.278 2.510 4.644) 8.202 5.339 ( -5.376 -3.622 8.740) 10.882 5.412 ( 9.715 -1.413 -2.260) 10.074 5.540 ( 3.521 3.408 1.234) 5.053 5.610 ( -0.689 -0.265 3.796) 3.867 5.732 ( 1.276 5.649 5.902) 8.269 5.790 ( -0.170 -3.599 2.364) 4.309 6.034 ( -3.102 -6.575 -2.522) 7.694 6.195 ( -3.163 -0.069 -5.643) 6.469 6.347 ( 7.025 5.329 2.525) 9.172 6.544 ( -5.124 4.184 -7.372) 9.905 6.655 ( -1.966 0.098 0.648) 2.072 6.810 ( 3.731 -4.170 0.764) 5.647 7.098 ( -0.584 -2.707 -3.383) 4.371 7.200 ( -5.489 6.299 -5.298) 9.893 7.350 ( 6.727 -7.712 -3.124) 10.700 7.484 ( 3.163 -4.142 -2.442) 5.755 7.646 ( -9.438 9.245 12.109) 17.921 7.738 ( 3.049 -4.164 1.542) 5.387 8.116 ( -8.690 2.765 1.914) 9.317 8.199 ( -1.954 0.119 -3.190) 3.743 8.295 ( 0.064 -0.276 -0.681) 0.737 8.313 ( -1.567 0.638 -1.160) 2.051 8.527 ( -1.486 -2.584 4.036) 5.018 9.060 ( 0.051 -0.712 -0.869) 1.125 9.305 ( 7.993 -0.770 -5.241) 9.589 9.513 ( 9.183 0.308 1.385) 9.292 9.853 ( 1.304 -0.817 -1.174) 1.935 9.963 ( -0.550 -3.029 -0.467) 3.114 10.176 ( -1.121 4.647 5.190) 7.056 10.521 ( 1.061 2.240 9.781) 10.090 10.911 ( 6.973 -0.579 0.013) 6.997 11.388 ( 1.002 -0.798 -3.463) 3.692 11.487 ( -12.690 3.513 -1.862) 13.299 11.995 ( -1.800 2.826 -11.352) 11.836 12.321 ( 2.438 -4.704 0.361) 5.310 12.811 ( 0.576 -2.169 3.319) 4.006 13.606 ( -0.102 -1.338 1.926) 2.348 13.787 ( 3.600 2.403 3.658) 5.667 14.484 ( 5.246 0.796 5.286) 7.489 15.253 ( -11.411 -0.852 -23.627) 26.252 16.360 ( 7.510 -6.899 6.154) 11.911 17.213 ( 9.808 -1.483 4.055) 10.716 18.177 ( -4.232 1.706 4.695) 6.547 19.034 ( 5.798 -6.794 -4.622) 10.056 19.962 ( -11.631 13.412 -3.046) 18.013 20.927 ( 0.696 -2.802 4.081) 4.999 22.470 ( -0.025 -0.131 0.267) 0.298 22.588 ( -0.093 -0.840 -0.095) 0.850 ======================= Grid point 276 (132/141) ======================= q-point: (-0.40 0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 17.733 0.000 -8.720) 19.761 2.252 ( 8.666 0.000 3.808) 9.466 2.552 ( 19.585 0.000 1.111) 19.616 2.611 ( 15.323 0.000 -0.164) 15.324 3.256 ( -2.609 -0.000 6.228) 6.752 3.331 ( -2.251 -0.000 0.358) 2.279 3.516 ( -5.842 -0.000 6.387) 8.655 3.727 ( -4.340 -0.000 -7.094) 8.317 3.844 ( 3.147 0.000 -6.790) 7.484 3.870 ( 1.667 0.000 3.126) 3.543 4.009 ( -3.738 -0.000 9.351) 10.070 4.122 ( -5.508 -0.000 -7.242) 9.099 4.409 ( -18.204 -0.000 2.740) 18.409 4.415 ( -1.512 -0.000 -5.038) 5.260 4.444 ( 4.182 0.000 4.021) 5.801 4.804 ( 6.626 0.000 1.895) 6.892 4.872 ( 0.650 0.000 -6.216) 6.250 4.947 ( -7.556 -0.000 -2.893) 8.091 5.232 ( -4.745 -0.000 9.323) 10.461 5.373 ( 0.258 0.000 -8.038) 8.042 5.519 ( -2.671 -0.000 9.980) 10.332 5.627 ( 4.169 0.000 -5.049) 6.548 5.673 ( 10.590 0.000 0.663) 10.610 5.856 ( 6.300 0.000 -4.399) 7.684 5.956 ( 4.827 0.000 1.436) 5.036 6.129 ( 7.104 0.000 -7.034) 9.997 6.353 ( 3.635 0.000 4.063) 5.452 6.365 ( 2.366 0.000 9.988) 10.264 6.553 ( -0.138 -0.000 -0.430) 0.451 6.608 ( 8.434 0.000 -10.722) 13.642 7.051 ( -5.532 -0.000 -0.098) 5.533 7.068 ( -1.676 -0.000 3.083) 3.509 7.562 ( -0.249 -0.000 -3.540) 3.549 7.673 ( -2.600 -0.000 -2.086) 3.333 7.687 ( -6.755 -0.000 2.745) 7.291 8.038 ( -0.444 -0.000 -2.255) 2.298 8.089 ( -0.044 -0.000 -3.491) 3.491 8.151 ( -6.431 -0.000 3.948) 7.547 8.401 ( -1.875 -0.000 0.306) 1.900 8.430 ( 3.699 0.000 1.715) 4.078 8.678 ( -7.180 -0.000 5.874) 9.277 8.902 ( 7.053 0.000 -5.522) 8.957 8.969 ( 6.229 0.000 -1.928) 6.520 9.121 ( 10.181 0.000 3.018) 10.619 9.799 ( -2.059 -0.000 -4.051) 4.545 9.952 ( -4.164 -0.000 -4.193) 5.909 10.214 ( 2.143 0.000 12.929) 13.105 10.275 ( 8.928 0.000 13.985) 16.592 11.010 ( -2.257 -0.000 -8.860) 9.143 11.446 ( 3.066 0.000 -3.613) 4.739 11.797 ( 0.426 0.000 3.011) 3.041 12.143 ( 3.455 0.000 -0.221) 3.462 12.207 ( -8.850 -0.000 -14.377) 16.883 12.615 ( 2.947 0.000 9.762) 10.197 13.612 ( -2.779 -0.000 -1.128) 2.999 13.752 ( 2.529 0.000 1.238) 2.816 14.421 ( -6.913 -0.000 -6.241) 9.313 15.416 ( 13.497 0.000 8.881) 16.157 16.027 ( -5.718 -0.000 -12.299) 13.563 16.712 ( 14.860 0.000 5.709) 15.919 18.347 ( -6.684 -0.000 13.109) 14.715 18.764 ( 6.562 0.000 -14.467) 15.886 20.728 ( -5.407 -0.000 -17.437) 18.256 20.755 ( -4.147 -0.000 19.780) 20.210 22.490 ( -1.249 -0.000 -0.455) 1.330 22.556 ( -0.058 -0.000 0.556) 0.559 ======================= Grid point 278 (133/141) ======================= q-point: (-0.30 0.60 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 3.390 8.697 1.110) 9.400 2.369 ( 8.246 6.759 -9.373) 14.196 2.818 ( 15.396 7.381 5.318) 17.883 2.884 ( 12.101 2.260 -0.855) 12.340 3.149 ( -1.310 9.442 2.585) 9.876 3.258 ( -8.818 1.131 -2.822) 9.328 3.318 ( -11.066 8.987 0.781) 14.277 3.682 ( -4.006 -8.978 -2.412) 10.123 3.838 ( -1.894 2.452 -7.107) 7.753 3.909 ( -0.034 -1.864 -5.396) 5.709 3.960 ( -1.121 1.362 5.454) 5.732 4.097 ( 0.123 -9.866 5.869) 11.480 4.280 ( -3.917 -4.534 5.672) 8.251 4.390 ( -0.809 -4.183 -5.277) 6.782 4.591 ( 7.744 -0.836 5.609) 9.598 4.817 ( -0.080 -2.299 -8.249) 8.564 4.876 ( 0.587 -2.330 -2.857) 3.733 4.996 ( 9.284 -2.786 4.937) 10.878 5.227 ( -0.559 0.234 9.893) 9.911 5.375 ( 3.350 -0.550 -7.563) 8.290 5.501 ( -2.667 2.431 10.369) 10.979 5.679 ( 2.179 -0.927 -0.073) 2.369 5.791 ( 6.819 4.616 -1.126) 8.311 5.882 ( -0.726 -2.757 -4.717) 5.512 6.010 ( 4.309 6.755 0.829) 8.056 6.193 ( 3.519 -2.392 -8.494) 9.500 6.375 ( 1.573 3.973 3.936) 5.809 6.497 ( 0.948 -8.595 2.543) 9.013 6.589 ( 2.772 -3.806 3.428) 5.824 6.717 ( 9.659 2.360 -6.889) 12.097 6.954 ( -5.296 -3.264 -2.053) 6.551 7.085 ( 1.946 -0.489 2.329) 3.074 7.489 ( -2.154 6.108 -6.947) 9.498 7.576 ( -5.673 0.993 -0.904) 5.830 7.657 ( -2.941 -3.375 1.413) 4.694 7.984 ( -6.062 7.901 7.043) 12.197 8.051 ( 1.754 -3.265 -3.505) 5.101 8.145 ( -1.913 -6.729 -1.134) 7.087 8.357 ( -3.346 0.053 0.316) 3.361 8.458 ( -0.979 0.780 2.124) 2.465 8.547 ( -9.485 2.897 4.846) 11.038 8.980 ( 3.409 -1.992 -1.534) 4.236 9.131 ( 14.124 -0.158 -5.725) 15.241 9.318 ( 12.240 -0.054 3.146) 12.638 9.784 ( 1.211 -1.201 -2.499) 3.025 9.896 ( -2.583 -1.623 -0.781) 3.149 10.283 ( 0.485 2.595 11.654) 11.949 10.462 ( 5.395 0.220 13.844) 14.860 10.930 ( -0.968 1.452 -8.261) 8.443 11.416 ( -1.777 0.382 -6.243) 6.502 11.781 ( -8.459 2.430 4.206) 9.755 12.077 ( 4.790 0.237 -13.378) 14.212 12.161 ( -1.801 -2.706 -2.773) 4.273 12.704 ( 2.287 -1.179 6.927) 7.389 13.578 ( -1.359 -0.527 0.460) 1.528 13.795 ( 2.713 1.247 1.315) 3.263 14.380 ( 2.013 -1.008 1.900) 2.946 15.477 ( -5.668 -1.534 -15.483) 16.559 16.025 ( 7.703 -1.405 4.657) 9.111 16.981 ( 16.395 0.701 4.161) 16.929 18.287 ( -7.725 0.504 10.605) 13.130 18.825 ( 7.734 -1.871 -11.560) 14.034 20.511 ( -7.770 7.372 -12.424) 16.404 20.791 ( -4.399 -4.060 14.152) 15.366 22.471 ( -0.712 -0.025 -0.486) 0.862 22.557 ( -0.549 -0.806 0.541) 1.115 ======================= Grid point 279 (134/141) ======================= q-point: (-0.20 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -3.976 7.798 4.093) 9.662 2.264 ( -1.045 17.832 -5.955) 18.829 2.709 ( -12.808 8.770 -4.353) 16.122 2.857 ( -12.336 11.595 -1.999) 17.048 3.050 ( 8.212 6.496 6.007) 12.071 3.174 ( -1.361 -0.475 1.396) 2.007 3.280 ( 5.768 1.449 -3.912) 7.119 3.677 ( -2.735 -7.726 -3.164) 8.785 3.768 ( -0.305 5.363 -7.807) 9.477 3.840 ( -3.263 0.659 -4.229) 5.381 3.998 ( 2.557 -1.919 0.611) 3.255 4.309 ( 0.470 -6.045 -1.583) 6.267 4.327 ( 4.563 -16.617 4.912) 17.918 4.466 ( 2.531 -7.234 5.773) 9.595 4.693 ( 1.236 1.084 5.058) 5.319 4.825 ( 1.211 -3.561 -3.995) 5.487 4.957 ( 6.077 -1.930 -2.337) 6.791 5.195 ( 7.564 -4.528 2.979) 9.305 5.313 ( 0.652 -0.623 10.181) 10.221 5.414 ( 8.715 2.290 -1.066) 9.074 5.512 ( -0.680 -2.017 8.265) 8.534 5.695 ( 1.276 3.692 2.126) 4.447 5.796 ( 1.254 6.031 -3.478) 7.073 5.887 ( -0.137 -4.724 -0.026) 4.726 5.959 ( 0.224 9.610 -1.314) 9.702 6.184 ( -2.078 -1.361 -6.139) 6.623 6.411 ( 3.437 0.940 1.585) 3.900 6.549 ( -1.766 -4.141 -1.897) 4.885 6.656 ( -2.051 -0.174 -1.339) 2.456 6.764 ( 5.717 0.966 0.724) 5.843 7.006 ( 3.579 -6.484 -4.774) 8.811 7.184 ( 8.418 -5.532 -4.107) 10.878 7.334 ( -4.299 7.003 -5.992) 10.170 7.483 ( -3.974 0.464 -0.146) 4.003 7.671 ( 1.880 -1.092 1.369) 2.569 7.832 ( -8.962 7.917 11.649) 16.694 8.101 ( -1.323 -3.226 0.399) 3.510 8.178 ( 2.327 -3.220 -5.634) 6.893 8.299 ( -3.974 -0.417 -3.042) 5.023 8.348 ( -7.217 4.437 6.516) 10.688 8.484 ( -2.322 -1.734 4.794) 5.602 9.032 ( 1.486 -1.912 -2.101) 3.206 9.305 ( 10.532 0.567 -6.101) 12.185 9.516 ( 9.816 0.010 1.847) 9.988 9.816 ( 0.809 -2.119 -0.822) 2.412 9.888 ( -1.415 -3.527 0.571) 3.843 10.278 ( -1.979 4.351 4.968) 6.894 10.564 ( 1.366 1.827 10.863) 11.100 10.911 ( 3.720 0.460 -0.977) 3.874 11.364 ( -1.379 -1.154 -5.157) 5.462 11.563 ( -12.709 3.367 -2.114) 13.316 12.041 ( -3.027 1.763 -9.148) 9.796 12.236 ( 7.380 -3.647 -1.751) 8.416 12.773 ( 1.162 -1.502 4.942) 5.294 13.585 ( 0.553 -0.769 1.771) 2.008 13.830 ( 2.767 1.754 1.806) 3.741 14.494 ( 7.742 0.320 8.250) 11.318 15.238 ( -10.641 -0.702 -25.321) 27.475 16.224 ( 6.528 -5.543 7.976) 11.703 17.240 ( 13.545 2.473 6.106) 15.062 18.205 ( -5.169 1.063 4.628) 7.019 18.933 ( 8.213 -3.452 -7.571) 11.691 20.219 ( -10.434 12.047 -8.132) 17.892 20.839 ( -2.407 -5.767 9.155) 11.085 22.464 ( -0.202 -0.319 -0.389) 0.542 22.561 ( -0.696 -1.621 0.407) 1.811 ======================= Grid point 280 (135/141) ======================= q-point: (-0.10 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( -12.239 13.000 -3.223) 18.144 2.101 ( -8.883 1.046 10.036) 13.443 2.361 ( -12.640 6.092 -3.240) 14.401 2.638 ( -2.598 7.586 -8.662) 11.804 3.136 ( 2.845 2.905 7.291) 8.348 3.157 ( -3.543 -4.999 -2.614) 6.661 3.269 ( -0.458 4.897 -3.820) 6.228 3.630 ( -3.734 5.274 -4.542) 7.899 3.754 ( -1.703 -7.351 -1.020) 7.614 3.801 ( 5.807 2.245 -1.683) 6.449 4.029 ( 1.285 2.240 -3.036) 3.985 4.380 ( 0.108 -9.989 -0.900) 10.030 4.535 ( 0.582 -6.963 2.138) 7.307 4.641 ( 2.679 -6.844 9.851) 12.291 4.695 ( -0.649 -5.692 -1.626) 5.956 4.866 ( 0.700 -2.109 0.789) 2.358 5.035 ( 3.232 -0.130 -1.698) 3.653 5.273 ( -6.580 2.798 7.937) 10.683 5.334 ( 3.087 -6.069 -1.363) 6.944 5.528 ( 4.597 5.913 1.350) 7.611 5.592 ( -2.278 2.491 -3.255) 4.689 5.700 ( 9.312 2.930 6.399) 11.672 5.786 ( 3.799 -1.310 4.540) 6.063 5.835 ( -4.208 5.846 -0.955) 7.266 5.968 ( 3.419 -3.316 3.886) 6.146 6.133 ( 0.163 1.344 -3.890) 4.119 6.397 ( -4.017 -0.643 -5.344) 6.716 6.559 ( 5.061 3.889 -2.083) 6.714 6.622 ( -1.102 0.263 -3.450) 3.632 6.842 ( 3.874 -0.807 0.313) 3.970 7.053 ( 0.798 -1.549 -6.096) 6.340 7.184 ( -1.854 6.348 -2.879) 7.213 7.375 ( 4.367 -4.340 -2.195) 6.537 7.482 ( 3.748 -5.875 -1.139) 7.061 7.647 ( -8.858 8.424 11.317) 16.658 7.776 ( 5.640 -4.562 1.175) 7.348 8.015 ( -7.626 3.374 1.450) 8.464 8.221 ( 5.109 2.371 -4.602) 7.274 8.271 ( 0.879 -3.605 -4.589) 5.902 8.283 ( -2.649 -0.222 3.507) 4.401 8.501 ( -2.158 -2.336 7.246) 7.913 9.041 ( -0.823 -0.933 -1.465) 1.922 9.379 ( 3.460 2.562 -4.413) 6.165 9.603 ( 0.531 0.244 -1.177) 1.314 9.819 ( -3.257 -2.417 0.623) 4.103 9.939 ( 2.609 -4.068 0.675) 4.880 10.205 ( -2.810 3.847 0.999) 4.867 10.587 ( -0.769 2.083 6.822) 7.174 11.032 ( 8.056 -2.238 4.415) 9.455 11.268 ( -11.483 -0.712 -5.422) 12.719 11.411 ( 1.141 2.138 -0.784) 2.547 11.919 ( -4.432 0.579 -8.338) 9.460 12.364 ( 5.934 -0.259 -0.184) 5.942 12.815 ( -0.298 -1.171 4.006) 4.184 13.622 ( 2.406 -0.323 1.117) 2.672 13.861 ( 1.450 1.054 1.204) 2.159 14.674 ( 10.125 2.885 11.753) 15.779 14.950 ( -10.228 -0.629 -25.278) 27.276 16.382 ( 0.927 -7.382 4.971) 8.948 17.350 ( -2.164 6.609 13.304) 15.012 18.204 ( 8.028 0.066 -6.928) 10.604 19.077 ( 7.923 -3.680 -2.378) 9.053 19.887 ( -11.517 12.191 -3.565) 17.145 20.913 ( 0.426 -5.617 4.040) 6.932 22.467 ( 0.189 -0.692 -0.461) 0.852 22.569 ( -0.722 -1.818 0.463) 2.010 ======================= Grid point 288 (136/141) ======================= q-point: (-0.30 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -8.454 -0.000 -0.737) 8.486 2.420 ( -1.902 -0.000 -9.013) 9.211 2.884 ( -10.085 -0.000 0.025) 10.085 3.003 ( -14.636 -0.000 -4.804) 15.404 3.092 ( 6.800 0.000 7.161) 9.875 3.137 ( -7.361 -0.000 -2.851) 7.894 3.383 ( 5.401 0.000 -0.871) 5.471 3.512 ( -1.730 -0.000 -0.628) 1.840 3.816 ( -0.817 -0.000 -10.549) 10.580 3.868 ( 4.288 0.000 -1.836) 4.665 4.035 ( 1.419 0.000 3.652) 3.918 4.052 ( 1.065 0.000 7.732) 7.805 4.281 ( -2.530 -0.000 -10.514) 10.814 4.353 ( 3.668 0.000 13.323) 13.819 4.714 ( 2.384 0.000 6.793) 7.199 4.782 ( 2.217 0.000 -7.234) 7.566 4.937 ( 7.996 0.000 -0.723) 8.028 5.144 ( 7.207 0.000 2.183) 7.531 5.299 ( 3.824 0.000 10.363) 11.046 5.447 ( 9.150 0.000 -3.225) 9.702 5.504 ( -4.236 -0.000 12.157) 12.873 5.704 ( 2.299 0.000 -2.152) 3.149 5.842 ( 1.512 0.000 -2.163) 2.639 5.892 ( 1.991 0.000 -2.079) 2.879 6.106 ( -5.370 -0.000 -9.876) 11.241 6.131 ( 3.534 0.000 2.490) 4.323 6.433 ( -0.482 -0.000 0.099) 0.492 6.461 ( 2.948 0.000 -0.094) 2.950 6.644 ( 1.643 0.000 3.592) 3.950 6.824 ( -3.431 -0.000 0.358) 3.450 6.896 ( 12.221 0.000 -7.381) 14.277 7.137 ( 4.916 0.000 -1.964) 5.294 7.450 ( -3.481 -0.000 -5.380) 6.408 7.454 ( -6.344 -0.000 -2.961) 7.001 7.664 ( 2.510 0.000 1.305) 2.829 7.932 ( -11.467 -0.000 11.332) 16.121 8.056 ( 3.092 0.000 -1.787) 3.572 8.118 ( 4.381 0.000 -3.966) 5.910 8.294 ( -4.587 -0.000 -2.271) 5.119 8.426 ( -9.578 -0.000 8.800) 13.006 8.449 ( -2.742 -0.000 3.506) 4.451 9.007 ( 2.487 0.000 -3.412) 4.222 9.313 ( 11.837 0.000 -6.397) 13.455 9.516 ( 10.011 0.000 2.113) 10.232 9.792 ( 0.951 0.000 -1.075) 1.436 9.850 ( -2.391 -0.000 1.797) 2.990 10.322 ( -2.338 -0.000 4.590) 5.151 10.583 ( 1.604 0.000 11.507) 11.618 10.918 ( 2.438 0.000 -1.334) 2.779 11.352 ( -2.197 -0.000 -6.198) 6.576 11.599 ( -12.909 -0.000 -2.231) 13.100 12.060 ( -5.621 -0.000 -6.975) 8.958 12.196 ( 11.397 0.000 -3.748) 11.998 12.758 ( 1.382 0.000 5.519) 5.690 13.577 ( 0.817 0.000 1.724) 1.907 13.849 ( 2.336 0.000 0.935) 2.517 14.497 ( 8.876 0.000 9.764) 13.196 15.230 ( -10.116 -0.000 -25.597) 27.523 16.169 ( 5.789 0.000 7.779) 9.696 17.269 ( 15.015 0.000 7.166) 16.637 18.216 ( -5.473 -0.000 4.618) 7.161 18.899 ( 8.543 0.000 -8.674) 12.175 20.365 ( -6.958 -0.000 -15.917) 17.371 20.757 ( -5.952 -0.000 16.997) 18.009 22.461 ( -0.087 -0.000 -1.071) 1.075 22.541 ( -1.200 -0.000 0.971) 1.544 ======================= Grid point 289 (137/141) ======================= q-point: (-0.20 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( -17.599 -0.835 2.709) 17.826 2.168 ( -21.598 4.824 -4.943) 22.675 2.605 ( -11.105 13.888 1.824) 17.875 2.797 ( -3.739 6.910 -9.838) 12.590 3.021 ( -8.314 -7.019 -8.047) 13.533 3.162 ( -3.340 -1.006 9.843) 10.443 3.385 ( 1.214 5.389 -4.094) 6.876 3.578 ( 2.480 -7.546 0.729) 7.976 3.742 ( -2.949 3.738 -6.436) 8.006 3.916 ( 5.634 7.452 -0.394) 9.350 4.029 ( 2.923 0.211 -1.410) 3.252 4.219 ( -0.077 -7.702 -4.415) 8.878 4.281 ( 5.392 -11.876 6.736) 14.679 4.473 ( 0.672 -4.896 7.984) 9.390 4.718 ( -3.532 1.915 6.247) 7.428 4.820 ( 2.730 -2.061 -1.234) 3.636 5.042 ( 4.437 0.462 -0.532) 4.492 5.231 ( 1.903 -2.899 -0.354) 3.486 5.338 ( -4.915 2.404 8.474) 10.087 5.586 ( 7.523 0.512 6.566) 9.998 5.622 ( 12.640 0.949 0.360) 12.680 5.717 ( -0.064 -1.152 -2.033) 2.338 5.845 ( -0.986 4.950 0.952) 5.136 5.908 ( 2.800 0.656 -4.550) 5.382 5.942 ( -4.557 0.531 1.766) 4.916 6.178 ( 2.613 1.688 -0.579) 3.164 6.387 ( -3.611 0.775 -5.773) 6.853 6.517 ( 0.884 -3.649 -0.607) 3.803 6.671 ( 3.903 1.311 1.712) 4.459 6.848 ( 4.837 1.002 -0.605) 4.976 7.016 ( 4.881 -1.477 -7.887) 9.392 7.256 ( 10.378 -3.809 -6.910) 13.037 7.318 ( -2.794 5.701 -2.859) 6.963 7.413 ( -3.058 -3.390 -0.051) 4.566 7.718 ( 3.951 -1.185 -0.253) 4.133 7.779 ( -11.576 3.768 11.957) 17.064 8.087 ( -1.292 3.612 0.077) 3.837 8.180 ( 1.048 -4.290 -5.405) 6.979 8.218 ( 1.094 -1.625 -0.553) 2.036 8.342 ( -2.712 4.982 7.082) 9.074 8.443 ( -3.190 -3.736 7.394) 8.877 9.017 ( 0.619 -1.002 -5.238) 5.369 9.431 ( 7.084 2.027 -5.421) 9.148 9.602 ( -0.733 -0.224 -1.632) 1.803 9.780 ( -3.336 -1.233 -0.243) 3.565 9.868 ( 2.253 -2.363 4.066) 5.214 10.264 ( -4.362 1.703 -0.053) 4.683 10.620 ( -1.361 0.989 6.176) 6.401 11.006 ( 6.563 -0.559 4.954) 8.242 11.248 ( -10.012 -0.782 -5.157) 11.289 11.455 ( -0.829 1.534 -0.076) 1.746 11.919 ( -6.300 -0.206 -9.593) 11.478 12.361 ( 9.676 -0.051 -0.412) 9.685 12.797 ( 0.023 -0.523 4.970) 4.997 13.618 ( 3.171 -0.098 1.437) 3.483 13.876 ( 0.985 0.419 0.002) 1.070 14.719 ( 11.636 1.475 13.711) 18.044 14.940 ( -9.682 -0.376 -27.750) 29.393 16.268 ( 0.559 -3.320 5.919) 6.810 17.464 ( 1.460 3.690 17.124) 17.578 18.206 ( 7.498 0.110 -7.571) 10.656 19.010 ( 8.269 -2.268 -5.136) 9.995 20.128 ( -8.489 9.479 -11.968) 17.469 20.782 ( -3.215 -5.970 12.093) 13.865 22.457 ( 0.213 -0.154 -1.260) 1.287 22.532 ( -1.336 -1.409 1.102) 2.233 ======================= Grid point 290 (138/141) ======================= q-point: (-0.10 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -26.872 4.407 -3.753) 27.488 1.870 ( -18.292 -7.439 11.173) 22.688 2.352 ( -5.662 11.667 0.499) 12.978 2.631 ( -1.675 6.609 -9.344) 11.567 2.924 ( -8.501 -9.197 -11.498) 17.001 3.091 ( -14.318 -3.095 5.824) 15.764 3.283 ( -4.548 5.664 -1.827) 7.490 3.636 ( -0.914 0.843 1.945) 2.309 3.708 ( 2.950 -1.080 2.325) 3.908 3.948 ( 6.396 4.766 -3.672) 8.781 4.024 ( -1.709 -0.626 -3.207) 3.688 4.288 ( 0.793 -7.970 1.171) 8.095 4.499 ( 2.203 -6.037 4.514) 7.853 4.587 ( 2.663 -11.595 1.882) 12.045 4.648 ( -6.116 2.173 7.081) 9.605 4.860 ( -1.048 -2.344 1.268) 2.864 5.052 ( -1.782 0.780 -0.807) 2.106 5.265 ( -2.136 4.362 7.175) 8.664 5.281 ( -0.423 -4.613 -1.172) 4.779 5.529 ( -4.771 6.461 -7.586) 11.048 5.700 ( -2.315 5.890 -2.461) 6.790 5.747 ( 2.617 1.150 -1.669) 3.309 5.836 ( -1.149 3.557 6.443) 7.448 5.913 ( 10.614 -3.340 1.062) 11.178 6.090 ( 8.152 -1.278 6.048) 10.231 6.197 ( 4.607 3.953 -1.504) 6.254 6.303 ( 0.132 -1.458 -7.201) 7.349 6.567 ( 0.471 -3.313 -1.374) 3.617 6.672 ( 1.243 7.016 -2.883) 7.687 6.945 ( 7.343 1.957 0.549) 7.619 7.032 ( 2.273 -0.991 -7.261) 7.673 7.212 ( -0.609 4.894 -3.862) 6.264 7.361 ( -2.752 -1.290 2.626) 4.017 7.498 ( 8.198 -6.916 -3.772) 11.370 7.629 ( -6.330 4.266 8.367) 11.325 7.819 ( 3.543 -3.155 1.040) 4.857 7.968 ( -3.226 3.031 -0.503) 4.455 8.227 ( -1.027 -2.284 0.550) 2.564 8.264 ( 1.008 -2.438 1.027) 2.831 8.333 ( 4.539 2.650 -0.416) 5.272 8.493 ( 1.110 -1.926 6.971) 7.317 9.002 ( -1.020 -1.460 -3.518) 3.943 9.401 ( -5.465 4.921 -1.986) 7.618 9.529 ( -6.757 -0.931 -2.544) 7.280 9.728 ( -3.146 -2.982 -1.820) 4.701 9.965 ( 2.891 -2.936 2.647) 4.898 10.183 ( -3.274 1.641 1.082) 3.819 10.598 ( -1.923 0.861 1.063) 2.360 11.024 ( -11.400 0.303 -7.016) 13.389 11.166 ( 4.488 -3.324 6.150) 8.308 11.498 ( 5.400 2.833 5.394) 8.141 11.801 ( -3.655 -2.042 -7.535) 8.620 12.483 ( 6.720 2.601 0.380) 7.216 12.816 ( -1.075 -0.501 4.558) 4.709 13.687 ( 5.288 0.578 -0.542) 5.347 13.858 ( -2.325 0.455 -3.664) 4.363 14.663 ( -8.197 0.204 -21.898) 23.383 14.969 ( 12.200 2.577 14.398) 19.047 16.310 ( -3.733 -5.745 3.168) 7.548 17.367 ( -16.117 8.826 21.362) 28.178 18.389 ( 20.633 1.673 -14.634) 25.351 19.171 ( 9.311 -5.399 -0.591) 10.779 19.810 ( -10.789 13.773 -5.755) 18.418 20.877 ( 0.943 -7.717 4.562) 9.014 22.460 ( 0.344 -0.713 -1.156) 1.401 22.537 ( -1.166 -2.329 1.029) 2.800 ======================= Grid point 299 (139/141) ======================= q-point: (-0.20 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -28.168 -0.000 -0.910) 28.183 1.776 ( -22.300 -0.000 8.864) 23.997 2.553 ( -7.257 -0.000 5.427) 9.061 2.731 ( -3.289 -0.000 -15.042) 15.397 2.750 ( -12.457 -0.000 -12.293) 17.501 3.048 ( -16.199 -0.000 7.981) 18.058 3.379 ( -1.334 -0.000 -7.668) 7.783 3.555 ( -1.392 -0.000 4.316) 4.535 3.753 ( 4.650 0.000 1.214) 4.806 3.974 ( -2.652 -0.000 -1.273) 2.942 4.055 ( -0.682 -0.000 -11.169) 11.189 4.213 ( 4.771 0.000 1.995) 5.171 4.376 ( 9.185 0.000 11.322) 14.579 4.481 ( 0.057 0.000 6.197) 6.197 4.679 ( -5.731 -0.000 6.112) 8.379 4.826 ( -1.482 -0.000 -0.140) 1.488 5.068 ( -1.477 -0.000 -0.555) 1.578 5.224 ( -0.536 -0.000 0.641) 0.836 5.327 ( -1.770 -0.000 7.429) 7.637 5.632 ( -3.707 -0.000 -6.709) 7.665 5.680 ( -4.630 -0.000 -7.530) 8.839 5.829 ( 10.301 0.000 -0.499) 10.313 5.846 ( 4.862 0.000 1.076) 4.980 5.875 ( 0.004 0.000 7.360) 7.360 6.075 ( 9.492 0.000 4.545) 10.524 6.239 ( 4.233 0.000 -0.901) 4.328 6.302 ( -1.492 -0.000 -9.387) 9.505 6.515 ( 1.696 0.000 1.917) 2.559 6.751 ( 1.297 0.000 2.150) 2.511 6.971 ( 11.225 0.000 -1.586) 11.336 7.020 ( 1.779 0.000 -9.912) 10.071 7.280 ( -4.668 -0.000 -5.872) 7.501 7.349 ( -2.171 -0.000 5.003) 5.453 7.390 ( 12.311 0.000 -8.505) 14.963 7.686 ( -8.227 -0.000 11.587) 14.211 7.770 ( 4.288 0.000 -1.299) 4.480 8.029 ( -6.231 -0.000 -3.874) 7.337 8.180 ( 3.858 0.000 -0.012) 3.858 8.249 ( -1.045 -0.000 7.726) 7.797 8.364 ( -4.951 -0.000 6.453) 8.134 8.464 ( 8.233 0.000 2.800) 8.696 8.983 ( -0.388 -0.000 -7.060) 7.071 9.482 ( -10.658 -0.000 -3.323) 11.164 9.494 ( -0.720 -0.000 -2.179) 2.295 9.696 ( -3.761 -0.000 -2.658) 4.606 9.931 ( 2.877 0.000 4.642) 5.461 10.201 ( -4.031 -0.000 0.910) 4.132 10.607 ( -2.295 -0.000 0.410) 2.332 11.028 ( -12.422 -0.000 -6.749) 14.137 11.131 ( 4.907 0.000 6.711) 8.314 11.532 ( 5.851 0.000 8.094) 9.988 11.776 ( -4.543 -0.000 -10.409) 11.357 12.509 ( 8.372 0.000 0.401) 8.381 12.811 ( -1.000 -0.000 5.042) 5.140 13.693 ( 5.775 0.000 -0.434) 5.791 13.862 ( -2.273 -0.000 -4.030) 4.627 14.667 ( -7.846 -0.000 -24.091) 25.336 14.995 ( 12.361 0.000 15.217) 19.605 16.248 ( -3.475 -0.000 3.712) 5.085 17.463 ( -16.455 -0.000 25.054) 29.975 18.414 ( 24.171 0.000 -15.305) 28.609 19.093 ( 6.223 0.000 -2.684) 6.777 19.999 ( -6.639 -0.000 -13.756) 15.274 20.767 ( -1.462 -0.000 11.862) 11.952 22.455 ( 0.458 0.000 -1.908) 1.963 22.507 ( -1.641 -0.000 1.729) 2.384 ======================= Grid point 300 (140/141) ======================= q-point: (-0.10 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -26.021 5.194 4.393) 26.895 1.559 ( -17.788 -9.265 18.437) 27.243 2.345 ( -9.894 12.946 -5.432) 17.176 2.566 ( -6.572 -0.067 -9.452) 11.512 2.617 ( -11.130 -12.471 -3.645) 17.109 2.747 ( -22.578 -2.649 -0.552) 22.740 3.259 ( -4.293 6.957 -4.476) 9.320 3.638 ( 3.064 -5.520 7.627) 9.901 3.788 ( -1.073 5.331 -0.175) 5.440 3.893 ( -8.455 -2.875 -5.808) 10.652 3.987 ( 1.097 -1.794 -3.585) 4.157 4.296 ( 3.727 -1.810 0.771) 4.215 4.539 ( 2.874 -1.336 6.873) 7.568 4.575 ( -1.845 -4.687 14.350) 15.208 4.620 ( 1.411 1.967 -2.100) 3.205 4.779 ( -5.269 -3.545 -0.405) 6.363 5.002 ( -3.714 1.442 -2.114) 4.510 5.220 ( -2.298 -2.632 0.471) 3.526 5.358 ( 2.777 3.195 7.401) 8.526 5.496 ( -2.248 5.468 -9.840) 11.479 5.573 ( -3.978 -1.248 -7.713) 8.768 5.836 ( -4.250 0.453 5.998) 7.365 5.918 ( 5.910 5.328 0.086) 7.958 6.038 ( 9.473 -1.533 -3.481) 10.208 6.177 ( 3.166 3.205 -0.968) 4.607 6.294 ( 3.643 -0.449 -2.452) 4.414 6.326 ( 6.812 -3.039 -2.890) 7.999 6.610 ( 7.165 -0.192 5.186) 8.847 6.711 ( -2.945 4.410 0.152) 5.305 6.964 ( -3.396 1.643 -7.171) 8.103 7.133 ( 5.543 3.440 -3.231) 7.279 7.206 ( 4.697 -2.099 -4.680) 6.956 7.325 ( -3.081 0.780 6.498) 7.234 7.569 ( 11.040 -4.655 -7.080) 13.917 7.646 ( -1.469 3.174 9.484) 10.109 7.843 ( 2.157 -1.164 -0.319) 2.471 7.933 ( -1.283 -1.332 -3.268) 3.755 8.201 ( -3.175 1.014 4.076) 5.265 8.268 ( -0.503 -2.620 4.763) 5.459 8.345 ( -2.095 -2.063 5.602) 6.327 8.619 ( 10.080 2.533 -0.793) 10.423 8.949 ( -0.997 -1.879 -4.854) 5.299 9.254 ( -13.716 2.107 -2.739) 14.144 9.357 ( -14.478 -0.027 1.539) 14.559 9.693 ( 3.640 -2.111 -5.094) 6.607 9.976 ( -0.852 -1.587 3.497) 3.934 10.161 ( -1.821 0.557 3.258) 3.774 10.566 ( -1.623 0.199 -3.657) 4.006 10.801 ( -11.775 -0.070 -6.129) 13.274 11.198 ( -2.133 -1.522 6.147) 6.682 11.662 ( 5.295 3.465 2.091) 6.664 11.733 ( 3.253 -3.392 3.757) 6.017 12.614 ( 5.954 2.973 -0.515) 6.675 12.817 ( -1.089 -0.240 4.437) 4.575 13.754 ( -6.328 0.092 -9.494) 11.410 13.787 ( 7.060 0.661 -3.202) 7.781 14.487 ( -3.658 0.199 -9.554) 10.232 15.248 ( 11.385 1.140 13.694) 17.845 16.203 ( -5.393 -2.583 1.668) 6.208 17.215 ( -24.876 5.396 22.759) 34.146 18.733 ( 25.126 6.851 -13.548) 29.356 19.229 ( 7.467 -10.920 0.565) 13.241 19.769 ( -6.785 13.560 -9.827) 18.069 20.846 ( 1.597 -6.401 3.649) 7.540 22.454 ( 0.532 -0.324 -1.719) 1.828 22.500 ( -1.490 -1.908 1.597) 2.901 ======================= Grid point 310 (141/141) ======================= q-point: (-0.10 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -16.663 -0.000 15.850) 22.997 1.367 ( -12.842 -0.000 25.930) 28.935 2.104 ( -27.579 -0.000 15.390) 31.583 2.279 ( -13.489 -0.000 -22.159) 25.942 2.379 ( -15.100 -0.000 -16.404) 22.295 2.535 ( 0.565 0.000 4.832) 4.865 3.200 ( -3.549 -0.000 -7.908) 8.668 3.675 ( -7.052 -0.000 -0.561) 7.074 3.704 ( -7.239 -0.000 -1.423) 7.377 3.760 ( 3.454 0.000 0.583) 3.503 4.013 ( 1.648 0.000 3.420) 3.796 4.326 ( 2.255 0.000 -4.257) 4.817 4.554 ( -4.895 -0.000 10.636) 11.709 4.611 ( -6.303 -0.000 -2.825) 6.907 4.633 ( 4.962 0.000 7.221) 8.762 4.650 ( -6.480 -0.000 -1.348) 6.619 4.988 ( 2.607 0.000 0.238) 2.618 5.144 ( -4.790 -0.000 -3.199) 5.760 5.378 ( -2.060 -0.000 -8.144) 8.400 5.511 ( -0.306 -0.000 -7.095) 7.102 5.540 ( 6.662 0.000 7.075) 9.718 5.801 ( -2.622 -0.000 4.396) 5.119 6.001 ( 3.636 0.000 -4.665) 5.915 6.148 ( 5.217 0.000 -6.435) 8.284 6.251 ( 1.878 0.000 1.880) 2.657 6.299 ( 3.398 0.000 0.728) 3.475 6.427 ( 5.803 0.000 -2.760) 6.426 6.682 ( -1.353 -0.000 1.790) 2.244 6.776 ( 8.090 0.000 6.948) 10.664 6.860 ( -6.422 -0.000 -5.763) 8.629 7.121 ( -0.182 -0.000 -5.970) 5.973 7.315 ( 2.793 0.000 -0.168) 2.798 7.390 ( 8.844 0.000 6.291) 10.853 7.694 ( -0.679 -0.000 7.236) 7.268 7.697 ( 11.692 0.000 -7.249) 13.757 7.851 ( 0.044 0.000 -2.959) 2.960 7.917 ( 4.163 0.000 -0.818) 4.243 8.151 ( -7.093 -0.000 4.395) 8.344 8.219 ( -6.199 -0.000 7.315) 9.588 8.351 ( 0.850 0.000 0.644) 1.066 8.775 ( 7.100 0.000 -2.206) 7.435 8.884 ( -2.929 -0.000 -5.268) 6.027 9.049 ( -10.536 -0.000 -1.453) 10.636 9.124 ( -14.553 -0.000 5.456) 15.542 9.723 ( 4.128 0.000 -4.353) 5.999 9.941 ( -4.538 -0.000 3.845) 5.948 10.170 ( -0.070 -0.000 5.251) 5.251 10.519 ( -1.327 -0.000 -6.012) 6.156 10.625 ( -6.760 -0.000 -0.157) 6.761 11.128 ( -8.242 -0.000 4.585) 9.432 11.703 ( 3.949 0.000 -4.520) 6.002 11.893 ( 6.051 0.000 13.072) 14.405 12.707 ( 4.162 0.000 -3.378) 5.361 12.818 ( -0.925 -0.000 3.322) 3.448 13.642 ( -0.088 -0.000 -1.960) 1.962 13.889 ( 7.257 0.000 -4.945) 8.782 14.476 ( 4.324 0.000 5.601) 7.076 15.474 ( 8.875 0.000 10.679) 13.886 16.114 ( -4.944 -0.000 0.454) 4.965 16.898 ( -31.104 -0.000 19.155) 36.529 19.156 ( 24.945 0.000 -8.533) 26.364 19.219 ( 2.176 0.000 1.916) 2.900 19.734 ( -0.094 -0.000 -11.911) 11.911 20.822 ( -2.197 -0.000 -3.630) 4.243 22.455 ( 0.862 0.000 -2.033) 2.208 22.473 ( -1.693 -0.000 2.048) 2.657 =================== 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 3/33000 10.0 1520.927 1458.377 1231.665 0.000 314.974 0.000 3/33000 20.0 323.074 275.658 268.153 0.000 39.134 0.000 3/33000 30.0 111.883 90.320 95.024 0.000 12.774 0.000 3/33000 40.0 53.635 42.159 45.513 0.000 6.219 0.000 3/33000 50.0 31.479 24.445 26.573 0.000 3.704 0.000 3/33000 60.0 21.091 16.295 17.727 0.000 2.500 0.000 3/33000 70.0 15.453 11.916 12.951 0.000 1.831 0.000 3/33000 80.0 12.048 9.284 10.082 0.000 1.421 0.000 3/33000 90.0 9.823 7.566 8.214 0.000 1.149 0.000 3/33000 100.0 8.279 6.372 6.923 0.000 0.960 0.000 3/33000 110.0 7.156 5.501 5.986 0.000 0.822 0.000 3/33000 120.0 6.307 4.841 5.282 0.000 0.719 0.000 3/33000 130.0 5.647 4.325 4.735 0.000 0.639 0.000 3/33000 140.0 5.120 3.912 4.299 0.000 0.576 0.000 3/33000 150.0 4.690 3.575 3.945 0.000 0.525 0.000 3/33000 160.0 4.332 3.294 3.652 0.000 0.482 0.000 3/33000 170.0 4.031 3.056 3.405 0.000 0.446 0.000 3/33000 180.0 3.773 2.852 3.194 0.000 0.416 0.000 3/33000 190.0 3.549 2.676 3.011 0.000 0.390 0.000 3/33000 200.0 3.353 2.522 2.851 0.000 0.366 0.000 3/33000 210.0 3.180 2.386 2.710 0.000 0.346 0.000 3/33000 220.0 3.026 2.265 2.584 0.000 0.328 0.000 3/33000 230.0 2.888 2.156 2.471 0.000 0.312 0.000 3/33000 240.0 2.762 2.058 2.369 0.000 0.297 0.000 3/33000 250.0 2.648 1.969 2.275 0.000 0.284 0.000 3/33000 260.0 2.544 1.888 2.190 0.000 0.271 0.000 3/33000 270.0 2.449 1.814 2.111 0.000 0.260 0.000 3/33000 280.0 2.360 1.746 2.038 0.000 0.250 0.000 3/33000 290.0 2.279 1.683 1.971 0.000 0.240 0.000 3/33000 300.0 2.203 1.624 1.908 0.000 0.232 0.000 3/33000 310.0 2.132 1.570 1.849 0.000 0.223 0.000 3/33000 320.0 2.066 1.520 1.794 0.000 0.216 0.000 3/33000 330.0 2.004 1.472 1.743 0.000 0.209 0.000 3/33000 340.0 1.946 1.428 1.694 0.000 0.202 0.000 3/33000 350.0 1.891 1.386 1.648 0.000 0.196 0.000 3/33000 360.0 1.839 1.347 1.605 0.000 0.190 0.000 3/33000 370.0 1.790 1.310 1.564 0.000 0.184 0.000 3/33000 380.0 1.744 1.275 1.525 0.000 0.179 0.000 3/33000 390.0 1.700 1.242 1.488 0.000 0.174 0.000 3/33000 400.0 1.658 1.211 1.452 0.000 0.170 0.000 3/33000 410.0 1.619 1.181 1.419 0.000 0.165 0.000 3/33000 420.0 1.581 1.153 1.387 0.000 0.161 0.000 3/33000 430.0 1.545 1.126 1.356 0.000 0.157 0.000 3/33000 440.0 1.510 1.100 1.327 0.000 0.153 0.000 3/33000 450.0 1.477 1.075 1.299 0.000 0.150 0.000 3/33000 460.0 1.446 1.052 1.272 0.000 0.146 0.000 3/33000 470.0 1.416 1.029 1.246 0.000 0.143 0.000 3/33000 480.0 1.387 1.008 1.221 0.000 0.140 0.000 3/33000 490.0 1.359 0.987 1.197 0.000 0.137 0.000 3/33000 500.0 1.332 0.967 1.174 0.000 0.134 0.000 3/33000 510.0 1.307 0.948 1.152 0.000 0.131 0.000 3/33000 520.0 1.282 0.930 1.131 0.000 0.128 0.000 3/33000 530.0 1.258 0.913 1.111 0.000 0.126 0.000 3/33000 540.0 1.235 0.896 1.091 0.000 0.123 0.000 3/33000 550.0 1.213 0.880 1.072 0.000 0.121 0.000 3/33000 560.0 1.192 0.864 1.053 0.000 0.119 0.000 3/33000 570.0 1.171 0.849 1.036 0.000 0.117 0.000 3/33000 580.0 1.152 0.834 1.018 0.000 0.115 0.000 3/33000 590.0 1.132 0.820 1.002 0.000 0.113 0.000 3/33000 600.0 1.114 0.806 0.986 0.000 0.111 0.000 3/33000 610.0 1.096 0.793 0.970 0.000 0.109 0.000 3/33000 620.0 1.078 0.780 0.955 0.000 0.107 0.000 3/33000 630.0 1.061 0.768 0.940 0.000 0.105 0.000 3/33000 640.0 1.045 0.756 0.926 0.000 0.103 0.000 3/33000 650.0 1.029 0.744 0.912 0.000 0.102 0.000 3/33000 660.0 1.014 0.733 0.899 0.000 0.100 0.000 3/33000 670.0 0.999 0.722 0.886 0.000 0.099 0.000 3/33000 680.0 0.985 0.712 0.873 0.000 0.097 0.000 3/33000 690.0 0.970 0.701 0.861 0.000 0.096 0.000 3/33000 700.0 0.957 0.691 0.849 0.000 0.094 0.000 3/33000 710.0 0.943 0.682 0.837 0.000 0.093 0.000 3/33000 720.0 0.931 0.672 0.826 0.000 0.092 0.000 3/33000 730.0 0.918 0.663 0.815 0.000 0.090 0.000 3/33000 740.0 0.906 0.654 0.804 0.000 0.089 0.000 3/33000 750.0 0.894 0.645 0.794 0.000 0.088 0.000 3/33000 760.0 0.882 0.637 0.784 0.000 0.087 0.000 3/33000 770.0 0.871 0.629 0.774 0.000 0.086 0.000 3/33000 780.0 0.860 0.621 0.764 0.000 0.084 0.000 3/33000 790.0 0.849 0.613 0.754 0.000 0.083 0.000 3/33000 800.0 0.838 0.605 0.745 0.000 0.082 0.000 3/33000 810.0 0.828 0.598 0.736 0.000 0.081 0.000 3/33000 820.0 0.818 0.590 0.727 0.000 0.080 0.000 3/33000 830.0 0.808 0.583 0.719 0.000 0.079 0.000 3/33000 840.0 0.799 0.576 0.711 0.000 0.078 0.000 3/33000 850.0 0.790 0.570 0.702 0.000 0.077 0.000 3/33000 860.0 0.781 0.563 0.694 0.000 0.076 0.000 3/33000 870.0 0.772 0.557 0.686 0.000 0.075 0.000 3/33000 880.0 0.763 0.550 0.679 0.000 0.075 0.000 3/33000 890.0 0.754 0.544 0.671 0.000 0.074 0.000 3/33000 900.0 0.746 0.538 0.664 0.000 0.073 0.000 3/33000 910.0 0.738 0.532 0.657 0.000 0.072 0.000 3/33000 920.0 0.730 0.526 0.650 0.000 0.071 0.000 3/33000 930.0 0.722 0.521 0.643 0.000 0.071 0.000 3/33000 940.0 0.715 0.515 0.636 0.000 0.070 0.000 3/33000 950.0 0.707 0.510 0.630 0.000 0.069 0.000 3/33000 960.0 0.700 0.504 0.623 0.000 0.068 0.000 3/33000 970.0 0.693 0.499 0.617 0.000 0.068 0.000 3/33000 980.0 0.686 0.494 0.611 0.000 0.067 0.000 3/33000 990.0 0.679 0.489 0.605 0.000 0.066 0.000 3/33000 1000.0 0.672 0.484 0.599 0.000 0.065 0.000 3/33000 Thermal conductivity related properties were written into "kappa-m10105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:10:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|