----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:40:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31c (163) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.130459450141729 0.000000000000000 0.000000000000000 b -2.565229725070865 4.443108216908680 0.000000000000000 c 0.000000000000000 0.000000000000000 10.669594090000000 Atomic positions (fractional): *1 O 0.94501239389366 0.66054018727662 0.14732081048004 15.999 2 O 0.33945981272338 0.28447220661704 0.14732081048004 15.999 3 O 0.71552779338296 0.05498760610634 0.14732081048004 15.999 4 O 0.33945981272338 0.05498760610634 0.35267918951996 15.999 5 O 0.71552779338296 0.66054018727662 0.35267918951996 15.999 6 O 0.94501239389366 0.28447220661704 0.35267918951996 15.999 7 O 0.05498760610634 0.33945981272338 0.85267918951996 15.999 8 O 0.66054018727662 0.71552779338296 0.85267918951996 15.999 9 O 0.05498760610634 0.71552779338296 0.64732081048004 15.999 10 O 0.28447220661704 0.33945981272338 0.64732081048004 15.999 11 O 0.66054018727662 0.94501239389366 0.64732081048004 15.999 12 O 0.28447220661704 0.94501239389366 0.85267918951996 15.999 *13 Na 0.66666666666667 0.33333333333333 0.96066536115641 22.990 14 Na 0.66666666666667 0.33333333333333 0.53933463884359 22.990 15 Na 0.33333333333333 0.66666666666667 0.46066536115641 22.990 16 Na 0.33333333333333 0.66666666666667 0.03933463884359 22.990 *17 Ge 0.33333333333333 0.66666666666667 0.75000000000000 72.640 18 Ge 0.66666666666667 0.33333333333333 0.25000000000000 72.640 *19 Te 0.00000000000000 0.00000000000000 0.25000000000000 127.600 20 Te 0.00000000000000 0.00000000000000 0.75000000000000 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.130459450141729 0.000000000000000 0.000000000000000 b -2.565229725070865 4.443108216908680 0.000000000000000 c 0.000000000000000 0.000000000000000 10.669594090000000 Atomic positions (fractional): *1 O 0.94501239389366 0.66054018727662 0.14732081048004 15.999 > 1 2 O 0.33945981272338 0.28447220661704 0.14732081048004 15.999 > 2 3 O 0.71552779338296 0.05498760610634 0.14732081048004 15.999 > 3 4 O 0.33945981272338 0.05498760610634 0.35267918951996 15.999 > 4 5 O 0.71552779338296 0.66054018727662 0.35267918951996 15.999 > 5 6 O 0.94501239389366 0.28447220661704 0.35267918951996 15.999 > 6 7 O 0.05498760610634 0.33945981272338 0.85267918951996 15.999 > 7 8 O 0.66054018727662 0.71552779338296 0.85267918951996 15.999 > 8 9 O 0.05498760610634 0.71552779338296 0.64732081048004 15.999 > 9 10 O 0.28447220661704 0.33945981272338 0.64732081048004 15.999 > 10 11 O 0.66054018727662 0.94501239389366 0.64732081048004 15.999 > 11 12 O 0.28447220661704 0.94501239389366 0.85267918951996 15.999 > 12 *13 Na 0.66666666666667 0.33333333333333 0.96066536115641 22.990 > 13 14 Na 0.66666666666667 0.33333333333333 0.53933463884359 22.990 > 14 15 Na 0.33333333333333 0.66666666666667 0.46066536115641 22.990 > 15 16 Na 0.33333333333333 0.66666666666667 0.03933463884359 22.990 > 16 *17 Ge 0.33333333333333 0.66666666666667 0.75000000000000 72.640 > 17 18 Ge 0.66666666666667 0.33333333333333 0.25000000000000 72.640 > 18 *19 Te 0.00000000000000 0.00000000000000 0.25000000000000 127.600 > 19 20 Te 0.00000000000000 0.00000000000000 0.75000000000000 127.600 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.260918900283459 0.000000000000000 0.000000000000000 b -5.130459450141730 8.886216433817360 0.000000000000000 c 0.000000000000000 0.000000000000000 10.669594090000000 Atomic positions (fractional): *1 O 0.47250619694683 0.33027009363831 0.14732081048004 15.999 > 1 2 O 0.97250619694683 0.33027009363831 0.14732081048004 15.999 > 1 3 O 0.47250619694683 0.83027009363831 0.14732081048004 15.999 > 1 4 O 0.97250619694683 0.83027009363831 0.14732081048004 15.999 > 1 5 O 0.16972990636169 0.14223610330852 0.14732081048004 15.999 > 2 6 O 0.66972990636169 0.14223610330852 0.14732081048004 15.999 > 2 7 O 0.16972990636169 0.64223610330852 0.14732081048004 15.999 > 2 8 O 0.66972990636169 0.64223610330852 0.14732081048004 15.999 > 2 9 O 0.35776389669148 0.02749380305317 0.14732081048004 15.999 > 3 10 O 0.85776389669148 0.02749380305317 0.14732081048004 15.999 > 3 11 O 0.35776389669148 0.52749380305317 0.14732081048004 15.999 > 3 12 O 0.85776389669148 0.52749380305317 0.14732081048004 15.999 > 3 13 O 0.16972990636169 0.02749380305317 0.35267918951996 15.999 > 4 14 O 0.66972990636169 0.02749380305317 0.35267918951996 15.999 > 4 15 O 0.16972990636169 0.52749380305317 0.35267918951996 15.999 > 4 16 O 0.66972990636169 0.52749380305317 0.35267918951996 15.999 > 4 17 O 0.35776389669148 0.33027009363831 0.35267918951996 15.999 > 5 18 O 0.85776389669148 0.33027009363831 0.35267918951996 15.999 > 5 19 O 0.35776389669148 0.83027009363831 0.35267918951996 15.999 > 5 20 O 0.85776389669148 0.83027009363831 0.35267918951996 15.999 > 5 21 O 0.47250619694683 0.14223610330852 0.35267918951996 15.999 > 6 22 O 0.97250619694683 0.14223610330852 0.35267918951996 15.999 > 6 23 O 0.47250619694683 0.64223610330852 0.35267918951996 15.999 > 6 24 O 0.97250619694683 0.64223610330852 0.35267918951996 15.999 > 6 25 O 0.02749380305317 0.16972990636169 0.85267918951996 15.999 > 7 26 O 0.52749380305317 0.16972990636169 0.85267918951996 15.999 > 7 27 O 0.02749380305317 0.66972990636169 0.85267918951996 15.999 > 7 28 O 0.52749380305317 0.66972990636169 0.85267918951996 15.999 > 7 29 O 0.33027009363831 0.35776389669148 0.85267918951996 15.999 > 8 30 O 0.83027009363831 0.35776389669148 0.85267918951996 15.999 > 8 31 O 0.33027009363831 0.85776389669148 0.85267918951996 15.999 > 8 32 O 0.83027009363831 0.85776389669148 0.85267918951996 15.999 > 8 33 O 0.02749380305317 0.35776389669148 0.64732081048004 15.999 > 9 34 O 0.52749380305317 0.35776389669148 0.64732081048004 15.999 > 9 35 O 0.02749380305317 0.85776389669148 0.64732081048004 15.999 > 9 36 O 0.52749380305317 0.85776389669148 0.64732081048004 15.999 > 9 37 O 0.14223610330852 0.16972990636169 0.64732081048004 15.999 > 10 38 O 0.64223610330852 0.16972990636169 0.64732081048004 15.999 > 10 39 O 0.14223610330852 0.66972990636169 0.64732081048004 15.999 > 10 40 O 0.64223610330852 0.66972990636169 0.64732081048004 15.999 > 10 41 O 0.33027009363831 0.47250619694683 0.64732081048004 15.999 > 11 42 O 0.83027009363831 0.47250619694683 0.64732081048004 15.999 > 11 43 O 0.33027009363831 0.97250619694683 0.64732081048004 15.999 > 11 44 O 0.83027009363831 0.97250619694683 0.64732081048004 15.999 > 11 45 O 0.14223610330852 0.47250619694683 0.85267918951996 15.999 > 12 46 O 0.64223610330852 0.47250619694683 0.85267918951996 15.999 > 12 47 O 0.14223610330852 0.97250619694683 0.85267918951996 15.999 > 12 48 O 0.64223610330852 0.97250619694683 0.85267918951996 15.999 > 12 *49 Na 0.33333333333333 0.16666666666667 0.96066536115641 22.990 > 13 50 Na 0.83333333333333 0.16666666666667 0.96066536115641 22.990 > 13 51 Na 0.33333333333333 0.66666666666667 0.96066536115641 22.990 > 13 52 Na 0.83333333333333 0.66666666666667 0.96066536115641 22.990 > 13 53 Na 0.33333333333333 0.16666666666667 0.53933463884359 22.990 > 14 54 Na 0.83333333333333 0.16666666666667 0.53933463884359 22.990 > 14 55 Na 0.33333333333333 0.66666666666667 0.53933463884359 22.990 > 14 56 Na 0.83333333333333 0.66666666666667 0.53933463884359 22.990 > 14 57 Na 0.16666666666667 0.33333333333333 0.46066536115641 22.990 > 15 58 Na 0.66666666666667 0.33333333333333 0.46066536115641 22.990 > 15 59 Na 0.16666666666667 0.83333333333333 0.46066536115641 22.990 > 15 60 Na 0.66666666666667 0.83333333333333 0.46066536115641 22.990 > 15 61 Na 0.16666666666667 0.33333333333333 0.03933463884359 22.990 > 16 62 Na 0.66666666666667 0.33333333333333 0.03933463884359 22.990 > 16 63 Na 0.16666666666667 0.83333333333333 0.03933463884359 22.990 > 16 64 Na 0.66666666666667 0.83333333333333 0.03933463884359 22.990 > 16 *65 Ge 0.16666666666667 0.33333333333333 0.75000000000000 72.640 > 17 66 Ge 0.66666666666667 0.33333333333333 0.75000000000000 72.640 > 17 67 Ge 0.16666666666667 0.83333333333333 0.75000000000000 72.640 > 17 68 Ge 0.66666666666667 0.83333333333333 0.75000000000000 72.640 > 17 69 Ge 0.33333333333333 0.16666666666667 0.25000000000000 72.640 > 18 70 Ge 0.83333333333333 0.16666666666667 0.25000000000000 72.640 > 18 71 Ge 0.33333333333333 0.66666666666667 0.25000000000000 72.640 > 18 72 Ge 0.83333333333333 0.66666666666667 0.25000000000000 72.640 > 18 *73 Te 0.00000000000000 0.00000000000000 0.25000000000000 127.600 > 19 74 Te 0.50000000000000 0.00000000000000 0.25000000000000 127.600 > 19 75 Te 0.00000000000000 0.50000000000000 0.25000000000000 127.600 > 19 76 Te 0.50000000000000 0.50000000000000 0.25000000000000 127.600 > 19 77 Te 0.00000000000000 0.00000000000000 0.75000000000000 127.600 > 20 78 Te 0.50000000000000 0.00000000000000 0.75000000000000 127.600 > 20 79 Te 0.00000000000000 0.50000000000000 0.75000000000000 127.600 > 20 80 Te 0.50000000000000 0.50000000000000 0.75000000000000 127.600 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5890322 -0.0000000 0.0000000 -0.0000000 3.5890322 0.0000000 0.0000000 0.0000000 2.7420451 -------------------------- Born effective charges -------------------------- 1 O -1.3787716 0.0104651 0.1252207 -0.0398112 -2.4922503 -0.0852078 0.2045530 -0.0856973 -1.2861976 2 O -2.2265879 -0.4496757 0.0111818 -0.4999520 -1.6444341 0.1510482 -0.0280605 0.2199968 -1.2861976 3 O -2.2011734 0.5146251 -0.1364025 0.4643488 -1.6698485 -0.0658404 -0.1764925 -0.1342995 -1.2861976 4 O -2.2011734 -0.5146251 -0.1364025 -0.4643488 -1.6698485 0.0658404 -0.1764925 0.1342995 -1.2861976 5 O -1.3787716 -0.0104651 0.1252207 0.0398112 -2.4922503 0.0852078 0.2045530 0.0856973 -1.2861976 6 O -2.2265879 0.4496757 0.0111818 0.4999520 -1.6444341 -0.1510482 -0.0280605 -0.2199968 -1.2861976 7 O -1.3787716 0.0104651 0.1252207 -0.0398112 -2.4922503 -0.0852078 0.2045530 -0.0856973 -1.2861976 8 O -2.2265879 -0.4496757 0.0111818 -0.4999520 -1.6444341 0.1510482 -0.0280605 0.2199968 -1.2861976 9 O -2.2265879 0.4496757 0.0111818 0.4999520 -1.6444341 -0.1510482 -0.0280605 -0.2199968 -1.2861976 10 O -1.3787716 -0.0104651 0.1252207 0.0398112 -2.4922503 0.0852078 0.2045530 0.0856973 -1.2861976 11 O -2.2011734 -0.5146251 -0.1364025 -0.4643488 -1.6698485 0.0658404 -0.1764925 0.1342995 -1.2861976 12 O -2.2011734 0.5146251 -0.1364025 0.4643488 -1.6698485 -0.0658404 -0.1764925 -0.1342995 -1.2861976 13 Na 1.0610656 -0.0120787 0.0000000 0.0120787 1.0610656 0.0000000 0.0000000 -0.0000000 1.3854330 14 Na 1.0610656 0.0120787 0.0000000 -0.0120787 1.0610656 0.0000000 0.0000000 -0.0000000 1.3854330 15 Na 1.0610656 0.0120787 0.0000000 -0.0120787 1.0610656 0.0000000 0.0000000 -0.0000000 1.3854330 16 Na 1.0610656 -0.0120787 0.0000000 0.0120787 1.0610656 0.0000000 0.0000000 -0.0000000 1.3854330 17 Ge 4.2927516 -0.0000000 0.0000000 -0.0000000 4.2927516 0.0000000 0.0000000 -0.0000000 1.9943396 18 Ge 4.2927516 -0.0000000 0.0000000 -0.0000000 4.2927516 0.0000000 0.0000000 -0.0000000 1.9943396 19 Te 5.1981830 -0.0000000 0.0000000 -0.0000000 5.1981830 0.0000000 0.0000000 -0.0000000 2.9519801 20 Te 5.1981830 -0.0000000 0.0000000 -0.0000000 5.1981830 0.0000000 0.0000000 -0.0000000 2.9519801 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 654 Number of blocks in projector: 384 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 255 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 94 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (654, 638), data: False |-- (1, 1), data: True |-- (94, 90), data: True |-- (255, 251), data: True |-- (304, 296), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 0.425 Solver_block: 200 / 240 - Time: 0.428 Solver_block: 240 / 240 - Time: 0.199 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.067 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 654 Number of blocks in projector: 384 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 255 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 94 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (654, 638), data: False |-- (1, 1), data: True |-- (94, 90), data: True |-- (255, 251), data: True |-- (304, 296), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:40:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:40:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31c (163) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.130459450141729 0.000000000000000 0.000000000000000 b -2.565229725070865 4.443108216908680 0.000000000000000 c 0.000000000000000 0.000000000000000 10.669594090000000 Atomic positions (fractional): 1 O 0.94501239389366 0.66054018727662 0.14732081048004 15.999 2 O 0.33945981272338 0.28447220661704 0.14732081048004 15.999 3 O 0.71552779338296 0.05498760610634 0.14732081048004 15.999 4 O 0.33945981272338 0.05498760610634 0.35267918951996 15.999 5 O 0.71552779338296 0.66054018727662 0.35267918951996 15.999 6 O 0.94501239389366 0.28447220661704 0.35267918951996 15.999 7 O 0.05498760610634 0.33945981272338 0.85267918951996 15.999 8 O 0.66054018727662 0.71552779338296 0.85267918951996 15.999 9 O 0.05498760610634 0.71552779338296 0.64732081048004 15.999 10 O 0.28447220661704 0.33945981272338 0.64732081048004 15.999 11 O 0.66054018727662 0.94501239389366 0.64732081048004 15.999 12 O 0.28447220661704 0.94501239389366 0.85267918951996 15.999 13 Na 0.66666666666667 0.33333333333333 0.96066536115641 22.990 14 Na 0.66666666666667 0.33333333333333 0.53933463884359 22.990 15 Na 0.33333333333333 0.66666666666667 0.46066536115641 22.990 16 Na 0.33333333333333 0.66666666666667 0.03933463884359 22.990 17 Ge 0.33333333333333 0.66666666666667 0.75000000000000 72.640 18 Ge 0.66666666666667 0.33333333333333 0.25000000000000 72.640 19 Te 0.00000000000000 0.00000000000000 0.25000000000000 127.600 20 Te 0.00000000000000 0.00000000000000 0.75000000000000 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.260918900283459 0.000000000000000 0.000000000000000 b -5.130459450141730 8.886216433817360 0.000000000000000 c 0.000000000000000 0.000000000000000 10.669594090000000 Atomic positions (fractional): 1 O 0.47250619694683 0.33027009363831 0.14732081048004 15.999 > 1 2 O 0.97250619694683 0.33027009363831 0.14732081048004 15.999 > 1 3 O 0.47250619694683 0.83027009363831 0.14732081048004 15.999 > 1 4 O 0.97250619694683 0.83027009363831 0.14732081048004 15.999 > 1 5 O 0.16972990636169 0.14223610330852 0.14732081048004 15.999 > 5 6 O 0.66972990636169 0.14223610330852 0.14732081048004 15.999 > 5 7 O 0.16972990636169 0.64223610330852 0.14732081048004 15.999 > 5 8 O 0.66972990636169 0.64223610330852 0.14732081048004 15.999 > 5 9 O 0.35776389669148 0.02749380305317 0.14732081048004 15.999 > 9 10 O 0.85776389669148 0.02749380305317 0.14732081048004 15.999 > 9 11 O 0.35776389669148 0.52749380305317 0.14732081048004 15.999 > 9 12 O 0.85776389669148 0.52749380305317 0.14732081048004 15.999 > 9 13 O 0.16972990636169 0.02749380305317 0.35267918951996 15.999 > 13 14 O 0.66972990636169 0.02749380305317 0.35267918951996 15.999 > 13 15 O 0.16972990636169 0.52749380305317 0.35267918951996 15.999 > 13 16 O 0.66972990636169 0.52749380305317 0.35267918951996 15.999 > 13 17 O 0.35776389669148 0.33027009363831 0.35267918951996 15.999 > 17 18 O 0.85776389669148 0.33027009363831 0.35267918951996 15.999 > 17 19 O 0.35776389669148 0.83027009363831 0.35267918951996 15.999 > 17 20 O 0.85776389669148 0.83027009363831 0.35267918951996 15.999 > 17 21 O 0.47250619694683 0.14223610330852 0.35267918951996 15.999 > 21 22 O 0.97250619694683 0.14223610330852 0.35267918951996 15.999 > 21 23 O 0.47250619694683 0.64223610330852 0.35267918951996 15.999 > 21 24 O 0.97250619694683 0.64223610330852 0.35267918951996 15.999 > 21 25 O 0.02749380305317 0.16972990636169 0.85267918951996 15.999 > 25 26 O 0.52749380305317 0.16972990636169 0.85267918951996 15.999 > 25 27 O 0.02749380305317 0.66972990636169 0.85267918951996 15.999 > 25 28 O 0.52749380305317 0.66972990636169 0.85267918951996 15.999 > 25 29 O 0.33027009363831 0.35776389669148 0.85267918951996 15.999 > 29 30 O 0.83027009363831 0.35776389669148 0.85267918951996 15.999 > 29 31 O 0.33027009363831 0.85776389669148 0.85267918951996 15.999 > 29 32 O 0.83027009363831 0.85776389669148 0.85267918951996 15.999 > 29 33 O 0.02749380305317 0.35776389669148 0.64732081048004 15.999 > 33 34 O 0.52749380305317 0.35776389669148 0.64732081048004 15.999 > 33 35 O 0.02749380305317 0.85776389669148 0.64732081048004 15.999 > 33 36 O 0.52749380305317 0.85776389669148 0.64732081048004 15.999 > 33 37 O 0.14223610330852 0.16972990636169 0.64732081048004 15.999 > 37 38 O 0.64223610330852 0.16972990636169 0.64732081048004 15.999 > 37 39 O 0.14223610330852 0.66972990636169 0.64732081048004 15.999 > 37 40 O 0.64223610330852 0.66972990636169 0.64732081048004 15.999 > 37 41 O 0.33027009363831 0.47250619694683 0.64732081048004 15.999 > 41 42 O 0.83027009363831 0.47250619694683 0.64732081048004 15.999 > 41 43 O 0.33027009363831 0.97250619694683 0.64732081048004 15.999 > 41 44 O 0.83027009363831 0.97250619694683 0.64732081048004 15.999 > 41 45 O 0.14223610330852 0.47250619694683 0.85267918951996 15.999 > 45 46 O 0.64223610330852 0.47250619694683 0.85267918951996 15.999 > 45 47 O 0.14223610330852 0.97250619694683 0.85267918951996 15.999 > 45 48 O 0.64223610330852 0.97250619694683 0.85267918951996 15.999 > 45 49 Na 0.33333333333333 0.16666666666667 0.96066536115641 22.990 > 49 50 Na 0.83333333333333 0.16666666666667 0.96066536115641 22.990 > 49 51 Na 0.33333333333333 0.66666666666667 0.96066536115641 22.990 > 49 52 Na 0.83333333333333 0.66666666666667 0.96066536115641 22.990 > 49 53 Na 0.33333333333333 0.16666666666667 0.53933463884359 22.990 > 53 54 Na 0.83333333333333 0.16666666666667 0.53933463884359 22.990 > 53 55 Na 0.33333333333333 0.66666666666667 0.53933463884359 22.990 > 53 56 Na 0.83333333333333 0.66666666666667 0.53933463884359 22.990 > 53 57 Na 0.16666666666667 0.33333333333333 0.46066536115641 22.990 > 57 58 Na 0.66666666666667 0.33333333333333 0.46066536115641 22.990 > 57 59 Na 0.16666666666667 0.83333333333333 0.46066536115641 22.990 > 57 60 Na 0.66666666666667 0.83333333333333 0.46066536115641 22.990 > 57 61 Na 0.16666666666667 0.33333333333333 0.03933463884359 22.990 > 61 62 Na 0.66666666666667 0.33333333333333 0.03933463884359 22.990 > 61 63 Na 0.16666666666667 0.83333333333333 0.03933463884359 22.990 > 61 64 Na 0.66666666666667 0.83333333333333 0.03933463884359 22.990 > 61 65 Ge 0.16666666666667 0.33333333333333 0.75000000000000 72.640 > 65 66 Ge 0.66666666666667 0.33333333333333 0.75000000000000 72.640 > 65 67 Ge 0.16666666666667 0.83333333333333 0.75000000000000 72.640 > 65 68 Ge 0.66666666666667 0.83333333333333 0.75000000000000 72.640 > 65 69 Ge 0.33333333333333 0.16666666666667 0.25000000000000 72.640 > 69 70 Ge 0.83333333333333 0.16666666666667 0.25000000000000 72.640 > 69 71 Ge 0.33333333333333 0.66666666666667 0.25000000000000 72.640 > 69 72 Ge 0.83333333333333 0.66666666666667 0.25000000000000 72.640 > 69 73 Te 0.00000000000000 0.00000000000000 0.25000000000000 127.600 > 73 74 Te 0.50000000000000 0.00000000000000 0.25000000000000 127.600 > 73 75 Te 0.00000000000000 0.50000000000000 0.25000000000000 127.600 > 73 76 Te 0.50000000000000 0.50000000000000 0.25000000000000 127.600 > 73 77 Te 0.00000000000000 0.00000000000000 0.75000000000000 127.600 > 77 78 Te 0.50000000000000 0.00000000000000 0.75000000000000 127.600 > 77 79 Te 0.00000000000000 0.50000000000000 0.75000000000000 127.600 > 77 80 Te 0.50000000000000 0.50000000000000 0.75000000000000 127.600 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5890322 -0.0000000 0.0000000 -0.0000000 3.5890322 0.0000000 0.0000000 0.0000000 2.7420451 -------------------------- Born effective charges -------------------------- 1 O -1.3787716 0.0104651 0.1252207 -0.0398112 -2.4922503 -0.0852078 0.2045530 -0.0856973 -1.2861976 2 O -2.2265879 -0.4496757 0.0111818 -0.4999520 -1.6444341 0.1510482 -0.0280605 0.2199968 -1.2861976 3 O -2.2011734 0.5146251 -0.1364025 0.4643488 -1.6698485 -0.0658404 -0.1764925 -0.1342995 -1.2861976 4 O -2.2011734 -0.5146251 -0.1364025 -0.4643488 -1.6698485 0.0658404 -0.1764925 0.1342995 -1.2861976 5 O -1.3787716 -0.0104651 0.1252207 0.0398112 -2.4922503 0.0852078 0.2045530 0.0856973 -1.2861976 6 O -2.2265879 0.4496757 0.0111818 0.4999520 -1.6444341 -0.1510482 -0.0280605 -0.2199968 -1.2861976 7 O -1.3787716 0.0104651 0.1252207 -0.0398112 -2.4922503 -0.0852078 0.2045530 -0.0856973 -1.2861976 8 O -2.2265879 -0.4496757 0.0111818 -0.4999520 -1.6444341 0.1510482 -0.0280605 0.2199968 -1.2861976 9 O -2.2265879 0.4496757 0.0111818 0.4999520 -1.6444341 -0.1510482 -0.0280605 -0.2199968 -1.2861976 10 O -1.3787716 -0.0104651 0.1252207 0.0398112 -2.4922503 0.0852078 0.2045530 0.0856973 -1.2861976 11 O -2.2011734 -0.5146251 -0.1364025 -0.4643488 -1.6698485 0.0658404 -0.1764925 0.1342995 -1.2861976 12 O -2.2011734 0.5146251 -0.1364025 0.4643488 -1.6698485 -0.0658404 -0.1764925 -0.1342995 -1.2861976 13 Na 1.0610656 -0.0120787 0.0000000 0.0120787 1.0610656 0.0000000 0.0000000 -0.0000000 1.3854330 14 Na 1.0610656 0.0120787 0.0000000 -0.0120787 1.0610656 0.0000000 0.0000000 -0.0000000 1.3854330 15 Na 1.0610656 0.0120787 0.0000000 -0.0120787 1.0610656 0.0000000 0.0000000 -0.0000000 1.3854330 16 Na 1.0610656 -0.0120787 0.0000000 0.0120787 1.0610656 0.0000000 0.0000000 -0.0000000 1.3854330 17 Ge 4.2927516 -0.0000000 0.0000000 -0.0000000 4.2927516 0.0000000 0.0000000 -0.0000000 1.9943396 18 Ge 4.2927516 -0.0000000 0.0000000 -0.0000000 4.2927516 0.0000000 0.0000000 -0.0000000 1.9943396 19 Te 5.1981830 -0.0000000 0.0000000 -0.0000000 5.1981830 0.0000000 0.0000000 -0.0000000 2.9519801 20 Te 5.1981830 -0.0000000 0.0000000 -0.0000000 5.1981830 0.0000000 0.0000000 -0.0000000 2.9519801 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000017 (yyy) 0.00000017 (yyy) 0.00000017 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000006 (zx) -0.00000006 (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 23:40:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:40:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31c (163) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.130459450141729 0.000000000000000 0.000000000000000 b -2.565229725070865 4.443108216908680 0.000000000000000 c 0.000000000000000 0.000000000000000 10.669594090000000 Atomic positions (fractional): 1 O 0.94501239389366 0.66054018727662 0.14732081048004 15.999 2 O 0.33945981272338 0.28447220661704 0.14732081048004 15.999 3 O 0.71552779338296 0.05498760610634 0.14732081048004 15.999 4 O 0.33945981272338 0.05498760610634 0.35267918951996 15.999 5 O 0.71552779338296 0.66054018727662 0.35267918951996 15.999 6 O 0.94501239389366 0.28447220661704 0.35267918951996 15.999 7 O 0.05498760610634 0.33945981272338 0.85267918951996 15.999 8 O 0.66054018727662 0.71552779338296 0.85267918951996 15.999 9 O 0.05498760610634 0.71552779338296 0.64732081048004 15.999 10 O 0.28447220661704 0.33945981272338 0.64732081048004 15.999 11 O 0.66054018727662 0.94501239389366 0.64732081048004 15.999 12 O 0.28447220661704 0.94501239389366 0.85267918951996 15.999 13 Na 0.66666666666667 0.33333333333333 0.96066536115641 22.990 14 Na 0.66666666666667 0.33333333333333 0.53933463884359 22.990 15 Na 0.33333333333333 0.66666666666667 0.46066536115641 22.990 16 Na 0.33333333333333 0.66666666666667 0.03933463884359 22.990 17 Ge 0.33333333333333 0.66666666666667 0.75000000000000 72.640 18 Ge 0.66666666666667 0.33333333333333 0.25000000000000 72.640 19 Te 0.00000000000000 0.00000000000000 0.25000000000000 127.600 20 Te 0.00000000000000 0.00000000000000 0.75000000000000 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.260918900283459 0.000000000000000 0.000000000000000 b -5.130459450141730 8.886216433817360 0.000000000000000 c 0.000000000000000 0.000000000000000 10.669594090000000 Atomic positions (fractional): 1 O 0.47250619694683 0.33027009363831 0.14732081048004 15.999 > 1 2 O 0.97250619694683 0.33027009363831 0.14732081048004 15.999 > 1 3 O 0.47250619694683 0.83027009363831 0.14732081048004 15.999 > 1 4 O 0.97250619694683 0.83027009363831 0.14732081048004 15.999 > 1 5 O 0.16972990636169 0.14223610330852 0.14732081048004 15.999 > 5 6 O 0.66972990636169 0.14223610330852 0.14732081048004 15.999 > 5 7 O 0.16972990636169 0.64223610330852 0.14732081048004 15.999 > 5 8 O 0.66972990636169 0.64223610330852 0.14732081048004 15.999 > 5 9 O 0.35776389669148 0.02749380305317 0.14732081048004 15.999 > 9 10 O 0.85776389669148 0.02749380305317 0.14732081048004 15.999 > 9 11 O 0.35776389669148 0.52749380305317 0.14732081048004 15.999 > 9 12 O 0.85776389669148 0.52749380305317 0.14732081048004 15.999 > 9 13 O 0.16972990636169 0.02749380305317 0.35267918951996 15.999 > 13 14 O 0.66972990636169 0.02749380305317 0.35267918951996 15.999 > 13 15 O 0.16972990636169 0.52749380305317 0.35267918951996 15.999 > 13 16 O 0.66972990636169 0.52749380305317 0.35267918951996 15.999 > 13 17 O 0.35776389669148 0.33027009363831 0.35267918951996 15.999 > 17 18 O 0.85776389669148 0.33027009363831 0.35267918951996 15.999 > 17 19 O 0.35776389669148 0.83027009363831 0.35267918951996 15.999 > 17 20 O 0.85776389669148 0.83027009363831 0.35267918951996 15.999 > 17 21 O 0.47250619694683 0.14223610330852 0.35267918951996 15.999 > 21 22 O 0.97250619694683 0.14223610330852 0.35267918951996 15.999 > 21 23 O 0.47250619694683 0.64223610330852 0.35267918951996 15.999 > 21 24 O 0.97250619694683 0.64223610330852 0.35267918951996 15.999 > 21 25 O 0.02749380305317 0.16972990636169 0.85267918951996 15.999 > 25 26 O 0.52749380305317 0.16972990636169 0.85267918951996 15.999 > 25 27 O 0.02749380305317 0.66972990636169 0.85267918951996 15.999 > 25 28 O 0.52749380305317 0.66972990636169 0.85267918951996 15.999 > 25 29 O 0.33027009363831 0.35776389669148 0.85267918951996 15.999 > 29 30 O 0.83027009363831 0.35776389669148 0.85267918951996 15.999 > 29 31 O 0.33027009363831 0.85776389669148 0.85267918951996 15.999 > 29 32 O 0.83027009363831 0.85776389669148 0.85267918951996 15.999 > 29 33 O 0.02749380305317 0.35776389669148 0.64732081048004 15.999 > 33 34 O 0.52749380305317 0.35776389669148 0.64732081048004 15.999 > 33 35 O 0.02749380305317 0.85776389669148 0.64732081048004 15.999 > 33 36 O 0.52749380305317 0.85776389669148 0.64732081048004 15.999 > 33 37 O 0.14223610330852 0.16972990636169 0.64732081048004 15.999 > 37 38 O 0.64223610330852 0.16972990636169 0.64732081048004 15.999 > 37 39 O 0.14223610330852 0.66972990636169 0.64732081048004 15.999 > 37 40 O 0.64223610330852 0.66972990636169 0.64732081048004 15.999 > 37 41 O 0.33027009363831 0.47250619694683 0.64732081048004 15.999 > 41 42 O 0.83027009363831 0.47250619694683 0.64732081048004 15.999 > 41 43 O 0.33027009363831 0.97250619694683 0.64732081048004 15.999 > 41 44 O 0.83027009363831 0.97250619694683 0.64732081048004 15.999 > 41 45 O 0.14223610330852 0.47250619694683 0.85267918951996 15.999 > 45 46 O 0.64223610330852 0.47250619694683 0.85267918951996 15.999 > 45 47 O 0.14223610330852 0.97250619694683 0.85267918951996 15.999 > 45 48 O 0.64223610330852 0.97250619694683 0.85267918951996 15.999 > 45 49 Na 0.33333333333333 0.16666666666667 0.96066536115641 22.990 > 49 50 Na 0.83333333333333 0.16666666666667 0.96066536115641 22.990 > 49 51 Na 0.33333333333333 0.66666666666667 0.96066536115641 22.990 > 49 52 Na 0.83333333333333 0.66666666666667 0.96066536115641 22.990 > 49 53 Na 0.33333333333333 0.16666666666667 0.53933463884359 22.990 > 53 54 Na 0.83333333333333 0.16666666666667 0.53933463884359 22.990 > 53 55 Na 0.33333333333333 0.66666666666667 0.53933463884359 22.990 > 53 56 Na 0.83333333333333 0.66666666666667 0.53933463884359 22.990 > 53 57 Na 0.16666666666667 0.33333333333333 0.46066536115641 22.990 > 57 58 Na 0.66666666666667 0.33333333333333 0.46066536115641 22.990 > 57 59 Na 0.16666666666667 0.83333333333333 0.46066536115641 22.990 > 57 60 Na 0.66666666666667 0.83333333333333 0.46066536115641 22.990 > 57 61 Na 0.16666666666667 0.33333333333333 0.03933463884359 22.990 > 61 62 Na 0.66666666666667 0.33333333333333 0.03933463884359 22.990 > 61 63 Na 0.16666666666667 0.83333333333333 0.03933463884359 22.990 > 61 64 Na 0.66666666666667 0.83333333333333 0.03933463884359 22.990 > 61 65 Ge 0.16666666666667 0.33333333333333 0.75000000000000 72.640 > 65 66 Ge 0.66666666666667 0.33333333333333 0.75000000000000 72.640 > 65 67 Ge 0.16666666666667 0.83333333333333 0.75000000000000 72.640 > 65 68 Ge 0.66666666666667 0.83333333333333 0.75000000000000 72.640 > 65 69 Ge 0.33333333333333 0.16666666666667 0.25000000000000 72.640 > 69 70 Ge 0.83333333333333 0.16666666666667 0.25000000000000 72.640 > 69 71 Ge 0.33333333333333 0.66666666666667 0.25000000000000 72.640 > 69 72 Ge 0.83333333333333 0.66666666666667 0.25000000000000 72.640 > 69 73 Te 0.00000000000000 0.00000000000000 0.25000000000000 127.600 > 73 74 Te 0.50000000000000 0.00000000000000 0.25000000000000 127.600 > 73 75 Te 0.00000000000000 0.50000000000000 0.25000000000000 127.600 > 73 76 Te 0.50000000000000 0.50000000000000 0.25000000000000 127.600 > 73 77 Te 0.00000000000000 0.00000000000000 0.75000000000000 127.600 > 77 78 Te 0.50000000000000 0.00000000000000 0.75000000000000 127.600 > 77 79 Te 0.00000000000000 0.50000000000000 0.75000000000000 127.600 > 77 80 Te 0.50000000000000 0.50000000000000 0.75000000000000 127.600 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5890322 -0.0000000 0.0000000 -0.0000000 3.5890322 0.0000000 0.0000000 0.0000000 2.7420451 -------------------------- Born effective charges -------------------------- 1 O -1.3787716 0.0104651 0.1252207 -0.0398112 -2.4922503 -0.0852078 0.2045530 -0.0856973 -1.2861976 2 O -2.2265879 -0.4496757 0.0111818 -0.4999520 -1.6444341 0.1510482 -0.0280605 0.2199968 -1.2861976 3 O -2.2011734 0.5146251 -0.1364025 0.4643488 -1.6698485 -0.0658404 -0.1764925 -0.1342995 -1.2861976 4 O -2.2011734 -0.5146251 -0.1364025 -0.4643488 -1.6698485 0.0658404 -0.1764925 0.1342995 -1.2861976 5 O -1.3787716 -0.0104651 0.1252207 0.0398112 -2.4922503 0.0852078 0.2045530 0.0856973 -1.2861976 6 O -2.2265879 0.4496757 0.0111818 0.4999520 -1.6444341 -0.1510482 -0.0280605 -0.2199968 -1.2861976 7 O -1.3787716 0.0104651 0.1252207 -0.0398112 -2.4922503 -0.0852078 0.2045530 -0.0856973 -1.2861976 8 O -2.2265879 -0.4496757 0.0111818 -0.4999520 -1.6444341 0.1510482 -0.0280605 0.2199968 -1.2861976 9 O -2.2265879 0.4496757 0.0111818 0.4999520 -1.6444341 -0.1510482 -0.0280605 -0.2199968 -1.2861976 10 O -1.3787716 -0.0104651 0.1252207 0.0398112 -2.4922503 0.0852078 0.2045530 0.0856973 -1.2861976 11 O -2.2011734 -0.5146251 -0.1364025 -0.4643488 -1.6698485 0.0658404 -0.1764925 0.1342995 -1.2861976 12 O -2.2011734 0.5146251 -0.1364025 0.4643488 -1.6698485 -0.0658404 -0.1764925 -0.1342995 -1.2861976 13 Na 1.0610656 -0.0120787 0.0000000 0.0120787 1.0610656 0.0000000 0.0000000 -0.0000000 1.3854330 14 Na 1.0610656 0.0120787 0.0000000 -0.0120787 1.0610656 0.0000000 0.0000000 -0.0000000 1.3854330 15 Na 1.0610656 0.0120787 0.0000000 -0.0120787 1.0610656 0.0000000 0.0000000 -0.0000000 1.3854330 16 Na 1.0610656 -0.0120787 0.0000000 0.0120787 1.0610656 0.0000000 0.0000000 -0.0000000 1.3854330 17 Ge 4.2927516 -0.0000000 0.0000000 -0.0000000 4.2927516 0.0000000 0.0000000 -0.0000000 1.9943396 18 Ge 4.2927516 -0.0000000 0.0000000 -0.0000000 4.2927516 0.0000000 0.0000000 -0.0000000 1.9943396 19 Te 5.1981830 -0.0000000 0.0000000 -0.0000000 5.1981830 0.0000000 0.0000000 -0.0000000 2.9519801 20 Te 5.1981830 -0.0000000 0.0000000 -0.0000000 5.1981830 0.0000000 0.0000000 -0.0000000 2.9519801 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000017 (yyy) 0.00000017 (yyy) 0.00000017 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 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: 0.67, Number of G-points: 309, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/68) ======================= 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.508 ( 0.000 0.000 0.000) 0.000 1.508 ( 0.000 0.000 0.000) 0.000 2.934 ( 0.000 0.000 0.000) 0.000 4.686 ( 0.000 0.000 0.000) 0.000 4.686 ( 0.000 0.000 0.000) 0.000 4.753 ( 0.000 0.000 0.000) 0.000 5.195 ( 0.000 0.000 0.000) 0.000 5.467 ( 0.000 0.000 0.000) 0.000 5.467 ( 0.000 0.000 0.000) 0.000 5.686 ( 0.000 0.000 0.000) 0.000 5.986 ( 0.000 0.000 0.000) 0.000 6.036 ( 0.000 0.000 0.000) 0.000 6.179 ( 0.000 0.000 0.000) 0.000 6.179 ( 0.000 0.000 0.000) 0.000 6.622 ( 0.000 0.000 0.000) 0.000 6.622 ( 0.000 0.000 0.000) 0.000 7.202 ( 0.000 0.000 0.000) 0.000 7.202 ( 0.000 0.000 0.000) 0.000 7.258 ( 0.000 0.000 0.000) 0.000 7.258 ( 0.000 0.000 0.000) 0.000 7.619 ( 0.000 0.000 0.000) 0.000 8.963 ( 0.000 0.000 0.000) 0.000 9.265 ( 0.000 0.000 0.000) 0.000 9.271 ( 0.000 0.000 0.000) 0.000 9.323 ( 0.000 0.000 0.000) 0.000 9.422 ( 0.000 0.000 0.000) 0.000 9.422 ( 0.000 0.000 0.000) 0.000 9.508 ( 0.000 0.000 0.000) 0.000 9.508 ( 0.000 0.000 0.000) 0.000 10.112 ( 0.000 0.000 0.000) 0.000 10.112 ( 0.000 0.000 0.000) 0.000 10.137 ( 0.000 0.000 0.000) 0.000 10.137 ( 0.000 0.000 0.000) 0.000 13.249 ( 0.000 0.000 0.000) 0.000 13.249 ( 0.000 0.000 0.000) 0.000 13.487 ( 0.000 0.000 0.000) 0.000 13.487 ( 0.000 0.000 0.000) 0.000 14.942 ( 0.000 0.000 0.000) 0.000 14.942 ( 0.000 0.000 0.000) 0.000 15.028 ( 0.000 0.000 0.000) 0.000 15.028 ( 0.000 0.000 0.000) 0.000 16.696 ( 0.000 0.000 0.000) 0.000 17.058 ( 0.000 0.000 0.000) 0.000 17.058 ( 0.000 0.000 0.000) 0.000 17.204 ( 0.000 0.000 0.000) 0.000 17.204 ( 0.000 0.000 0.000) 0.000 17.226 ( 0.000 0.000 0.000) 0.000 18.721 ( 0.000 0.000 0.000) 0.000 18.746 ( 0.000 0.000 0.000) 0.000 19.049 ( 0.000 0.000 0.000) 0.000 20.208 ( 0.000 0.000 0.000) 0.000 20.208 ( 0.000 0.000 0.000) 0.000 20.219 ( 0.000 0.000 0.000) 0.000 20.219 ( 0.000 0.000 0.000) 0.000 20.297 ( 0.000 0.000 0.000) 0.000 20.326 ( 0.000 0.000 0.000) 0.000 21.116 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/68) ======================= q-point: ( 0.09 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( 19.025 10.984 0.000) 21.969 0.691 ( 28.620 16.524 0.000) 33.048 1.428 ( 59.746 34.494 0.000) 68.989 1.614 ( 8.476 4.894 0.000) 9.787 1.997 ( 35.356 20.413 0.000) 40.825 2.844 ( -6.625 -3.825 0.000) 7.650 4.569 ( -9.103 -5.256 0.000) 10.511 4.679 ( -0.847 -0.489 0.000) 0.978 4.822 ( 5.099 2.944 0.000) 5.888 5.138 ( -4.810 -2.777 0.000) 5.554 5.360 ( -13.020 -7.517 0.000) 15.034 5.375 ( -6.510 -3.759 0.000) 7.517 5.874 ( 6.065 3.502 0.000) 7.004 5.912 ( -4.726 -2.729 0.000) 5.458 6.049 ( 0.458 0.264 0.000) 0.529 6.210 ( 0.889 0.513 0.000) 1.027 6.218 ( 2.567 1.482 0.000) 2.964 6.538 ( -6.110 -3.528 0.000) 7.055 6.634 ( 1.209 0.698 0.000) 1.396 7.214 ( 1.275 0.736 0.000) 1.473 7.228 ( 2.217 1.280 0.000) 2.559 7.261 ( -7.714 -4.454 0.000) 8.908 7.316 ( 3.410 1.969 0.000) 3.938 7.363 ( -7.882 -4.551 0.000) 9.102 8.932 ( -2.196 -1.268 0.000) 2.536 9.086 ( -6.389 -3.689 0.000) 7.378 9.227 ( -3.225 -1.862 0.000) 3.724 9.271 ( -4.403 -2.542 0.000) 5.085 9.414 ( -0.723 -0.417 0.000) 0.834 9.509 ( -0.153 -0.088 0.000) 0.176 9.800 ( 7.212 4.164 0.000) 8.327 10.002 ( -7.162 -4.135 0.000) 8.270 10.159 ( 4.837 2.793 0.000) 5.585 10.194 ( 11.906 6.874 0.000) 13.747 10.243 ( 7.475 4.316 0.000) 8.631 11.068 ( 3.304 1.907 0.000) 3.815 13.288 ( 3.010 1.738 0.000) 3.475 13.346 ( 8.050 4.648 0.000) 9.295 13.607 ( 9.656 5.575 0.000) 11.149 13.664 ( 0.498 0.288 0.000) 0.576 14.921 ( -1.721 -0.994 0.000) 1.988 15.004 ( -2.032 -1.173 0.000) 2.346 15.206 ( 21.524 12.427 0.000) 24.853 16.649 ( -3.892 -2.247 0.000) 4.494 17.079 ( 2.030 1.172 0.000) 2.345 17.083 ( 2.132 1.231 0.000) 2.462 17.187 ( -3.163 -1.826 0.000) 3.653 17.237 ( 2.710 1.564 0.000) 3.129 17.238 ( 2.600 1.501 0.000) 3.002 18.731 ( -1.283 -0.741 0.000) 1.482 18.754 ( 2.701 1.559 0.000) 3.118 19.017 ( -2.591 -1.496 0.000) 2.991 19.137 ( 0.181 0.105 0.000) 0.209 20.169 ( -3.221 -1.860 0.000) 3.720 20.187 ( -1.979 -1.142 0.000) 2.285 20.225 ( 0.344 0.198 0.000) 0.397 20.302 ( 0.379 0.219 0.000) 0.438 20.349 ( 1.353 0.781 0.000) 1.562 21.015 ( -7.996 -4.617 0.000) 9.233 21.020 ( -0.672 -0.388 0.000) 0.776 ======================= Grid point 2 (3/68) ======================= q-point: ( 0.18 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 22.759 13.140 0.000) 26.280 1.334 ( 25.315 14.616 0.000) 29.231 1.872 ( 12.570 7.257 0.000) 14.514 2.689 ( -5.081 -2.934 0.000) 5.867 2.799 ( 55.184 31.860 0.000) 63.721 2.940 ( 42.042 24.273 0.000) 48.546 4.327 ( -10.198 -5.888 0.000) 11.775 4.652 ( -1.367 -0.789 0.000) 1.578 4.883 ( -4.779 -2.759 0.000) 5.518 4.999 ( -3.347 -1.932 0.000) 3.865 5.070 ( -10.942 -6.318 0.000) 12.635 5.230 ( -5.117 -2.954 0.000) 5.909 5.801 ( -4.178 -2.412 0.000) 4.824 5.958 ( 1.566 0.904 0.000) 1.809 6.042 ( -0.791 -0.457 0.000) 0.913 6.170 ( -9.227 -5.327 0.000) 10.655 6.192 ( -2.342 -1.352 0.000) 2.704 6.458 ( 1.527 0.881 0.000) 1.763 6.657 ( 0.093 0.054 0.000) 0.108 6.920 ( -11.673 -6.739 0.000) 13.479 7.268 ( 2.969 1.714 0.000) 3.428 7.305 ( 4.216 2.434 0.000) 4.868 7.364 ( 0.541 0.313 0.000) 0.625 7.419 ( 4.748 2.741 0.000) 5.482 8.881 ( -1.869 -1.079 0.000) 2.158 8.938 ( -6.719 -3.879 0.000) 7.758 9.119 ( -8.266 -4.772 0.000) 9.544 9.145 ( -3.257 -1.880 0.000) 3.761 9.387 ( -1.664 -0.961 0.000) 1.922 9.495 ( -1.022 -0.590 0.000) 1.180 9.614 ( -14.679 -8.475 0.000) 16.950 9.753 ( -14.337 -8.277 0.000) 16.554 10.328 ( 8.866 5.119 0.000) 10.238 10.457 ( 10.197 5.887 0.000) 11.775 10.668 ( 19.567 11.297 0.000) 22.594 11.169 ( 5.046 2.913 0.000) 5.826 13.374 ( 3.987 2.302 0.000) 4.604 13.615 ( 14.221 8.211 0.000) 16.421 13.681 ( 0.902 0.521 0.000) 1.042 13.904 ( 14.407 8.318 0.000) 16.636 14.870 ( -2.199 -1.269 0.000) 2.539 14.934 ( -3.739 -2.159 0.000) 4.318 15.875 ( 32.571 18.805 0.000) 37.609 16.516 ( -7.381 -4.262 0.000) 8.523 17.073 ( -6.523 -3.766 0.000) 7.532 17.148 ( 3.734 2.156 0.000) 4.312 17.160 ( 4.352 2.513 0.000) 5.025 17.323 ( 4.459 2.574 0.000) 5.149 17.325 ( 4.466 2.578 0.000) 5.157 18.684 ( -2.673 -1.543 0.000) 3.086 18.839 ( 4.251 2.454 0.000) 4.908 18.935 ( -4.100 -2.367 0.000) 4.735 19.143 ( 0.325 0.188 0.000) 0.375 20.043 ( -7.830 -4.521 0.000) 9.041 20.150 ( -0.842 -0.486 0.000) 0.972 20.235 ( 0.452 0.261 0.000) 0.522 20.315 ( 0.803 0.464 0.000) 0.927 20.374 ( 0.747 0.431 0.000) 0.862 20.785 ( -10.262 -5.925 0.000) 11.850 20.994 ( -1.562 -0.902 0.000) 1.804 ======================= Grid point 3 (4/68) ======================= q-point: ( 0.27 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 25.084 14.482 0.000) 28.964 1.862 ( 18.952 10.942 0.000) 21.883 2.175 ( 12.329 7.118 0.000) 14.236 2.643 ( 1.546 0.893 0.000) 1.786 3.828 ( 34.273 19.788 0.000) 39.575 4.038 ( 42.642 24.619 0.000) 49.239 4.114 ( -7.814 -4.512 0.000) 9.023 4.619 ( -13.903 -8.027 0.000) 16.054 4.649 ( 4.076 2.353 0.000) 4.706 4.879 ( -3.750 -2.165 0.000) 4.330 4.980 ( -0.755 -0.436 0.000) 0.871 5.094 ( -6.954 -4.015 0.000) 8.030 5.743 ( -0.342 -0.198 0.000) 0.395 5.876 ( -13.472 -7.778 0.000) 15.556 5.965 ( -0.763 -0.440 0.000) 0.881 6.016 ( -2.765 -1.596 0.000) 3.193 6.116 ( -2.580 -1.489 0.000) 2.979 6.514 ( 1.720 0.993 0.000) 1.986 6.623 ( -3.062 -1.768 0.000) 3.535 6.781 ( 0.165 0.095 0.000) 0.191 7.302 ( -0.489 -0.282 0.000) 0.564 7.399 ( 3.204 1.850 0.000) 3.700 7.423 ( 5.589 3.227 0.000) 6.453 7.542 ( 5.524 3.189 0.000) 6.378 8.755 ( -9.156 -5.286 0.000) 10.572 8.850 ( -0.643 -0.371 0.000) 0.742 8.892 ( -10.506 -6.066 0.000) 12.131 9.089 ( -1.258 -0.726 0.000) 1.452 9.222 ( -17.579 -10.149 0.000) 20.299 9.328 ( -3.415 -1.971 0.000) 3.943 9.338 ( -20.299 -11.719 0.000) 23.439 9.461 ( -1.895 -1.094 0.000) 2.188 10.550 ( 9.379 5.415 0.000) 10.830 10.705 ( 10.361 5.982 0.000) 11.964 11.023 ( 10.711 6.184 0.000) 12.368 11.299 ( 5.789 3.342 0.000) 6.684 13.464 ( 3.442 1.987 0.000) 3.974 13.704 ( 0.978 0.565 0.000) 1.129 13.983 ( 15.881 9.169 0.000) 18.337 14.224 ( 10.934 6.313 0.000) 12.625 14.822 ( -2.546 -1.470 0.000) 2.940 14.877 ( 1.568 0.905 0.000) 1.811 16.303 ( -10.543 -6.087 0.000) 12.174 16.624 ( 28.825 16.642 0.000) 33.284 16.881 ( -9.533 -5.504 0.000) 11.008 17.249 ( 4.637 2.677 0.000) 5.354 17.282 ( 5.819 3.359 0.000) 6.719 17.437 ( 4.832 2.790 0.000) 5.579 17.443 ( 5.433 3.137 0.000) 6.273 18.609 ( -3.508 -2.025 0.000) 4.051 18.838 ( -3.733 -2.155 0.000) 4.310 18.941 ( 4.110 2.373 0.000) 4.745 19.150 ( 0.184 0.106 0.000) 0.212 19.792 ( -13.120 -7.575 0.000) 15.150 20.156 ( 1.378 0.795 0.000) 1.591 20.246 ( 0.512 0.296 0.000) 0.591 20.339 ( 1.213 0.700 0.000) 1.401 20.384 ( 0.091 0.053 0.000) 0.106 20.577 ( -6.901 -3.984 0.000) 7.968 20.946 ( -2.462 -1.421 0.000) 2.842 ======================= Grid point 4 (5/68) ======================= q-point: ( 0.36 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 20.865 12.046 0.000) 24.093 2.231 ( 13.442 7.761 0.000) 15.522 2.405 ( 6.587 3.803 0.000) 7.606 2.771 ( 8.782 5.070 0.000) 10.141 3.931 ( -8.821 -5.093 0.000) 10.185 4.289 ( -12.958 -7.481 0.000) 14.963 4.353 ( 6.647 3.838 0.000) 7.676 4.487 ( 4.366 2.521 0.000) 5.041 4.854 ( -7.756 -4.478 0.000) 8.956 4.889 ( 14.017 8.093 0.000) 16.185 5.040 ( 1.788 1.032 0.000) 2.065 5.236 ( 20.791 12.004 0.000) 24.007 5.649 ( 1.594 0.920 0.000) 1.841 5.741 ( -2.849 -1.645 0.000) 3.289 5.914 ( -1.487 -0.859 0.000) 1.717 5.942 ( 0.334 0.193 0.000) 0.385 6.111 ( 0.918 0.530 0.000) 1.060 6.512 ( -6.303 -3.639 0.000) 7.278 6.534 ( 0.798 0.461 0.000) 0.921 6.919 ( 10.966 6.331 0.000) 12.663 7.292 ( 0.044 0.025 0.000) 0.051 7.477 ( 2.864 1.653 0.000) 3.307 7.555 ( 4.916 2.838 0.000) 5.676 7.668 ( 4.746 2.740 0.000) 5.480 8.469 ( -15.035 -8.681 0.000) 17.361 8.665 ( -8.190 -4.728 0.000) 9.457 8.762 ( -23.550 -13.597 0.000) 27.193 8.859 ( 1.640 0.947 0.000) 1.894 8.886 ( -13.997 -8.081 0.000) 16.162 9.089 ( 1.146 0.662 0.000) 1.324 9.225 ( -5.176 -2.989 0.000) 5.977 9.404 ( -2.807 -1.621 0.000) 3.241 10.748 ( 7.017 4.051 0.000) 8.102 10.927 ( 7.971 4.602 0.000) 9.204 11.203 ( 5.119 2.955 0.000) 5.911 11.428 ( 4.750 2.742 0.000) 5.485 13.531 ( 2.159 1.246 0.000) 2.493 13.725 ( 0.724 0.418 0.000) 0.836 14.278 ( 6.750 3.897 0.000) 7.795 14.368 ( 1.977 1.142 0.000) 2.283 14.835 ( 6.133 3.541 0.000) 7.082 15.033 ( 10.212 5.896 0.000) 11.791 16.026 ( -12.513 -7.225 0.000) 14.449 16.635 ( -10.769 -6.218 0.000) 12.435 17.177 ( 17.278 9.976 0.000) 19.951 17.357 ( 4.238 2.447 0.000) 4.894 17.425 ( 5.997 3.463 0.000) 6.925 17.544 ( 4.057 2.342 0.000) 4.685 17.562 ( 4.097 2.366 0.000) 4.731 18.528 ( -3.168 -1.829 0.000) 3.658 18.781 ( -0.659 -0.380 0.000) 0.761 19.025 ( 2.823 1.630 0.000) 3.259 19.150 ( -0.123 -0.071 0.000) 0.142 19.457 ( -14.383 -8.304 0.000) 16.609 20.207 ( 2.567 1.482 0.000) 2.964 20.259 ( 0.529 0.305 0.000) 0.611 20.371 ( 1.403 0.810 0.000) 1.620 20.382 ( -0.191 -0.110 0.000) 0.220 20.456 ( -3.544 -2.046 0.000) 4.092 20.883 ( -2.710 -1.565 0.000) 3.130 ======================= Grid point 5 (6/68) ======================= q-point: ( 0.45 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 3.371 1.947 0.000) 3.893 2.464 ( 2.271 1.311 0.000) 2.622 2.646 ( 13.819 7.978 0.000) 15.957 2.964 ( 4.746 2.740 0.000) 5.481 3.696 ( -8.379 -4.838 0.000) 9.676 4.051 ( -6.356 -3.670 0.000) 7.339 4.416 ( 2.063 1.191 0.000) 2.382 4.481 ( -2.505 -1.446 0.000) 2.893 4.742 ( -1.627 -0.939 0.000) 1.878 5.084 ( 1.195 0.690 0.000) 1.380 5.242 ( 3.978 2.297 0.000) 4.593 5.280 ( 4.192 2.420 0.000) 4.840 5.615 ( -4.312 -2.489 0.000) 4.979 5.743 ( -3.001 -1.732 0.000) 3.465 5.979 ( 3.404 1.965 0.000) 3.930 6.146 ( 2.489 1.437 0.000) 2.874 6.192 ( 10.809 6.240 0.000) 12.481 6.345 ( -6.707 -3.872 0.000) 7.745 6.635 ( 8.718 5.033 0.000) 10.067 7.251 ( 14.399 8.313 0.000) 16.626 7.299 ( 0.319 0.184 0.000) 0.369 7.524 ( 1.030 0.594 0.000) 1.189 7.598 ( -1.927 -1.113 0.000) 2.225 7.740 ( 0.361 0.209 0.000) 0.417 8.142 ( -10.241 -5.913 0.000) 11.826 8.221 ( -16.324 -9.425 0.000) 18.849 8.522 ( -3.632 -2.097 0.000) 4.194 8.669 ( -4.670 -2.696 0.000) 5.393 8.926 ( 3.485 2.012 0.000) 4.025 9.091 ( -4.228 -2.441 0.000) 4.882 9.134 ( 0.817 0.472 0.000) 0.943 9.342 ( -1.934 -1.117 0.000) 2.234 10.865 ( 2.608 1.506 0.000) 3.012 11.061 ( 3.046 1.758 0.000) 3.517 11.281 ( 1.606 0.927 0.000) 1.854 11.508 ( 1.789 1.033 0.000) 2.065 13.565 ( 0.708 0.409 0.000) 0.818 13.737 ( 0.264 0.152 0.000) 0.305 14.327 ( -0.045 -0.026 0.000) 0.052 14.373 ( -0.609 -0.352 0.000) 0.703 15.082 ( 11.094 6.405 0.000) 12.810 15.239 ( 4.184 2.416 0.000) 4.831 15.754 ( -8.479 -4.895 0.000) 9.791 16.418 ( -6.066 -3.502 0.000) 7.005 17.430 ( 4.402 2.542 0.000) 5.083 17.435 ( 2.096 1.210 0.000) 2.420 17.551 ( 4.311 2.489 0.000) 4.978 17.611 ( -0.236 -0.136 0.000) 0.273 17.625 ( 2.390 1.380 0.000) 2.760 18.472 ( -1.332 -0.769 0.000) 1.537 18.818 ( 3.192 1.843 0.000) 3.685 19.072 ( 1.101 0.636 0.000) 1.271 19.145 ( -0.225 -0.130 0.000) 0.260 19.160 ( -9.121 -5.266 0.000) 10.532 20.257 ( 1.266 0.731 0.000) 1.462 20.269 ( 0.296 0.171 0.000) 0.342 20.375 ( -0.176 -0.102 0.000) 0.203 20.401 ( -1.184 -0.684 0.000) 1.368 20.402 ( 0.862 0.498 0.000) 0.995 20.831 ( -1.350 -0.779 0.000) 1.558 ======================= Grid point 12 (7/68) ======================= q-point: ( 0.09 0.09 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 12.595 21.816 -0.596) 25.197 1.228 ( 17.626 30.528 -7.816) 36.107 1.817 ( 8.810 15.259 7.590) 19.184 2.433 ( 31.961 55.359 3.034) 63.995 2.610 ( 15.626 27.065 -11.003) 33.132 2.755 ( 3.006 5.207 7.151) 9.343 4.394 ( -6.074 -10.521 -0.259) 12.151 4.651 ( -1.293 -2.239 -5.443) 6.026 4.909 ( 2.169 3.756 5.052) 6.658 5.012 ( -5.768 -9.990 0.200) 11.538 5.161 ( -5.381 -9.321 -0.751) 10.789 5.258 ( -3.608 -6.249 6.837) 9.940 5.810 ( -2.384 -4.128 -6.972) 8.446 5.954 ( 0.311 0.539 0.837) 1.043 6.059 ( 0.359 0.622 1.775) 1.915 6.204 ( -2.795 -4.841 -8.627) 10.280 6.224 ( 0.196 0.340 8.725) 8.733 6.455 ( -1.539 -2.665 -6.313) 7.023 6.639 ( -0.190 -0.329 4.217) 4.234 7.009 ( -8.214 -14.227 -1.377) 16.486 7.251 ( 1.567 2.714 -3.314) 4.561 7.287 ( 2.529 4.380 1.961) 5.425 7.360 ( 2.559 4.433 -1.670) 5.384 7.378 ( 0.387 0.670 4.815) 4.877 8.877 ( -2.515 -4.356 -0.073) 5.031 9.008 ( -1.747 -3.025 -0.778) 3.579 9.159 ( -3.536 -6.124 1.600) 7.251 9.170 ( -3.031 -5.250 -1.467) 6.237 9.355 ( -2.812 -4.871 1.689) 5.873 9.415 ( -4.777 -8.274 -1.312) 9.644 9.945 ( 1.085 1.880 -0.221) 2.182 10.063 ( -0.082 -0.143 0.597) 0.619 10.070 ( 0.676 1.171 -0.681) 1.514 10.139 ( -0.708 -1.227 -0.666) 1.566 10.632 ( 12.864 22.282 1.332) 25.763 11.154 ( 3.303 5.722 0.544) 6.629 13.358 ( 2.653 4.595 1.987) 5.666 13.508 ( 5.929 10.269 -1.077) 11.906 13.691 ( 1.750 3.031 -3.061) 4.649 13.815 ( 8.127 14.077 2.141) 16.395 14.885 ( -1.430 -2.476 1.602) 3.278 14.956 ( -1.954 -3.385 -1.203) 4.090 15.673 ( 17.982 31.146 -1.663) 36.003 16.559 ( -3.756 -6.506 -0.515) 7.531 17.110 ( -3.255 -5.638 -0.053) 6.510 17.126 ( 1.909 3.306 0.711) 3.883 17.134 ( 2.183 3.780 -0.890) 4.455 17.285 ( 2.084 3.609 0.678) 4.222 17.309 ( 2.712 4.698 -0.715) 5.472 18.701 ( -1.342 -2.325 1.157) 2.923 18.812 ( 2.278 3.945 -0.070) 4.556 18.958 ( -2.307 -3.995 7.573) 8.868 19.144 ( 0.269 0.467 -9.602) 9.617 20.088 ( -3.574 -6.190 2.184) 7.474 20.164 ( -0.822 -1.424 -0.250) 1.663 20.221 ( 0.047 0.082 -1.733) 1.736 20.311 ( 0.395 0.684 -0.111) 0.798 20.373 ( 0.670 1.161 0.417) 1.404 20.850 ( -5.987 -10.370 -0.677) 11.994 21.003 ( -0.793 -1.373 2.365) 2.847 ======================= Grid point 13 (8/68) ======================= q-point: ( 0.18 0.09 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 18.495 21.525 -0.929) 28.394 1.829 ( 13.314 30.754 -4.131) 33.766 2.167 ( 8.618 20.770 5.328) 23.109 2.633 ( 0.151 -0.915 -1.311) 1.605 3.457 ( 29.071 26.575 0.967) 39.399 3.566 ( 38.886 35.565 -0.220) 52.697 4.185 ( -6.283 -7.077 -2.104) 9.695 4.598 ( -0.652 -4.262 -1.379) 4.527 4.749 ( -9.493 -9.608 0.087) 13.507 4.935 ( -1.794 -1.288 4.652) 5.149 5.013 ( -4.065 -1.160 -1.014) 4.348 5.152 ( -3.482 -4.237 4.579) 7.144 5.752 ( -0.722 -1.065 -4.752) 4.923 5.918 ( -1.508 -4.557 0.123) 4.801 5.993 ( -9.325 -10.483 -4.970) 14.884 6.075 ( -0.137 1.688 -0.125) 1.698 6.197 ( -4.929 1.507 5.503) 7.540 6.462 ( 2.824 -1.026 -6.163) 6.856 6.610 ( -0.563 -4.555 2.390) 5.175 6.807 ( -3.424 -2.983 2.794) 5.332 7.301 ( 0.119 0.870 -1.997) 2.181 7.346 ( 1.340 -2.013 1.668) 2.938 7.414 ( 2.721 7.114 1.344) 7.735 7.488 ( 5.736 5.065 -0.913) 7.706 8.757 ( -3.269 -8.067 -0.574) 8.723 8.927 ( -8.632 -4.257 -0.234) 9.627 8.993 ( -3.185 -4.173 0.511) 5.275 9.092 ( -2.152 -3.575 -1.152) 4.329 9.181 ( -6.171 -16.599 -0.355) 17.712 9.241 ( -1.982 -10.060 2.022) 10.451 9.774 ( -19.737 12.116 0.005) 23.159 9.842 ( -22.664 11.286 -0.431) 25.322 10.269 ( 19.230 -8.021 1.423) 20.884 10.351 ( 20.898 -10.597 -2.136) 23.528 11.019 ( 7.750 16.390 0.664) 18.142 11.279 ( 3.398 6.624 0.524) 7.463 13.455 ( 2.284 5.103 2.041) 5.952 13.656 ( 3.561 0.143 -1.738) 3.965 13.881 ( 9.974 14.312 -2.342) 17.601 14.140 ( 10.454 14.288 2.328) 17.856 14.834 ( -0.989 -2.255 1.460) 2.863 14.874 ( -2.590 -3.422 -1.092) 4.428 16.369 ( 23.644 27.090 -0.910) 35.969 16.386 ( -7.103 -8.310 -0.514) 10.945 16.955 ( -6.412 -7.678 -1.162) 10.070 17.208 ( 3.281 3.405 0.108) 4.729 17.237 ( 4.096 5.065 -0.908) 6.577 17.382 ( 4.227 4.248 1.625) 6.209 17.422 ( 3.635 5.904 -0.767) 6.976 18.636 ( -2.610 -3.196 2.254) 4.702 18.867 ( -3.009 -3.967 1.621) 5.237 18.904 ( 3.323 3.637 -0.167) 4.929 19.153 ( 0.063 0.588 -4.510) 4.548 19.898 ( -8.744 -9.782 3.124) 13.488 20.150 ( 0.164 0.510 -0.424) 0.683 20.229 ( 0.911 -0.393 -2.148) 2.366 20.330 ( 0.812 0.891 -0.284) 1.238 20.389 ( 0.038 0.721 0.675) 0.988 20.641 ( -6.300 -7.216 -1.395) 9.680 20.962 ( -1.674 -2.307 2.604) 3.861 ======================= Grid point 14 (9/68) ======================= q-point: ( 0.27 0.09 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 20.744 20.224 -0.587) 28.977 2.290 ( 3.969 28.601 0.134) 28.875 2.503 ( 1.605 23.421 1.880) 23.551 2.706 ( 5.303 6.468 -1.959) 8.591 3.957 ( 0.792 -6.652 1.888) 6.960 4.189 ( 15.327 8.987 -1.666) 17.845 4.326 ( 18.587 3.450 -5.499) 19.688 4.392 ( -9.961 -12.187 6.064) 16.868 4.774 ( 7.531 5.310 -9.672) 13.359 4.856 ( -2.621 -3.092 3.764) 5.532 5.010 ( 1.429 4.665 1.062) 4.993 5.119 ( 8.352 10.453 9.031) 16.142 5.675 ( -10.266 -11.016 -3.782) 15.526 5.764 ( -0.108 0.897 -1.929) 2.131 5.878 ( -0.046 -1.441 2.686) 3.048 6.090 ( -5.144 4.893 0.309) 7.106 6.103 ( -1.426 -0.407 -3.270) 3.591 6.484 ( 2.343 -3.972 -3.107) 5.561 6.521 ( -2.221 -7.994 0.529) 8.313 6.838 ( 5.141 5.515 5.579) 9.379 7.269 ( -0.169 -2.844 0.726) 2.940 7.381 ( 4.128 -3.122 -2.387) 5.700 7.549 ( 2.816 8.354 -0.491) 8.829 7.651 ( 5.143 6.934 0.492) 8.647 8.601 ( -8.075 -8.726 0.695) 11.910 8.645 ( -7.336 -12.694 -1.952) 14.791 8.817 ( -8.164 -21.805 -0.004) 23.284 8.949 ( -6.706 -5.150 1.808) 8.647 8.994 ( -4.645 0.596 -0.925) 4.773 9.143 ( -1.459 0.333 1.224) 1.934 9.522 ( -20.533 9.803 -2.349) 22.874 9.602 ( -16.397 9.960 1.679) 19.258 10.514 ( 16.634 -7.246 1.784) 18.232 10.604 ( 19.573 -11.157 -2.616) 22.681 11.247 ( 2.569 11.304 0.832) 11.623 11.404 ( 3.376 5.776 0.078) 6.691 13.535 ( 1.083 4.495 1.347) 4.816 13.698 ( 2.000 -0.568 -1.546) 2.591 14.227 ( 9.994 13.722 -1.090) 17.011 14.394 ( 1.689 10.328 1.454) 10.566 14.795 ( 0.198 -0.830 -0.983) 1.301 14.898 ( 8.573 1.126 1.279) 8.741 16.139 ( -9.975 -9.825 -0.452) 14.008 16.714 ( -7.592 -9.948 3.584) 13.017 17.001 ( 17.477 17.832 -5.754) 25.622 17.305 ( 4.064 2.500 -0.568) 4.805 17.375 ( 4.929 5.752 0.058) 7.576 17.511 ( 4.475 5.102 1.505) 6.951 17.546 ( 2.882 6.215 -0.366) 6.860 18.551 ( -2.782 -3.741 1.613) 4.933 18.786 ( -1.699 -2.687 -0.159) 3.183 18.994 ( 2.945 2.606 -0.253) 3.940 19.156 ( -0.255 0.405 -1.567) 1.639 19.595 ( -12.264 -11.406 3.107) 17.034 20.183 ( 1.946 1.759 -0.658) 2.704 20.243 ( 1.047 -0.326 -2.402) 2.641 20.357 ( 1.158 0.929 -0.449) 1.551 20.391 ( -0.436 0.457 0.830) 1.043 20.497 ( -3.900 -3.485 -1.141) 5.354 20.898 ( -2.131 -3.378 2.327) 4.623 ======================= Grid point 15 (10/68) ======================= q-point: ( 0.36 0.09 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 13.956 18.124 -0.469) 22.879 2.565 ( -2.109 23.984 2.615) 24.218 2.665 ( -5.370 18.440 0.443) 19.211 2.923 ( 5.317 11.002 -3.421) 12.690 3.802 ( -7.969 -6.064 0.324) 10.019 4.111 ( -6.784 -8.869 1.868) 11.321 4.366 ( 5.873 -1.419 -0.931) 6.113 4.517 ( -4.588 -0.286 1.704) 4.902 4.697 ( 2.126 -6.739 -2.813) 7.606 4.974 ( 10.503 -1.394 0.549) 10.609 5.171 ( 7.494 11.044 -4.990) 14.249 5.336 ( -7.327 -2.417 0.516) 7.733 5.641 ( 9.434 -6.963 4.342) 12.503 5.699 ( 4.734 1.538 1.238) 5.130 5.871 ( -3.786 0.455 4.333) 5.772 6.063 ( -0.892 -0.264 -2.649) 2.807 6.200 ( 5.210 7.376 -0.430) 9.041 6.378 ( -3.585 -7.657 -1.388) 8.568 6.529 ( 8.249 3.114 -3.790) 9.597 7.074 ( 12.363 7.233 6.991) 15.939 7.262 ( 2.515 -1.852 -1.164) 3.333 7.415 ( 4.777 -5.605 -2.892) 7.912 7.644 ( -1.232 4.174 -1.758) 4.693 7.788 ( 1.380 6.993 1.713) 7.330 8.256 ( -12.302 -12.877 -0.840) 17.829 8.390 ( -14.611 -15.217 1.299) 21.136 8.510 ( -1.387 -7.057 -0.535) 7.211 8.730 ( -7.690 -6.057 -0.242) 9.793 8.998 ( -1.997 9.101 0.202) 9.320 9.174 ( 0.228 6.200 0.547) 6.228 9.287 ( -14.908 5.835 -1.203) 16.054 9.435 ( -10.594 3.879 1.007) 11.326 10.691 ( 12.079 -8.526 1.751) 14.889 10.795 ( 15.367 -13.077 -2.748) 20.364 11.361 ( -0.714 8.244 1.224) 8.365 11.504 ( 1.915 3.823 -0.293) 4.285 13.583 ( -0.197 3.363 0.738) 3.449 13.719 ( 1.195 -0.729 -1.000) 1.720 14.410 ( -2.226 8.584 0.175) 8.870 14.433 ( -4.184 5.891 0.110) 7.227 14.932 ( 12.106 5.509 -0.648) 13.317 15.132 ( 11.162 3.692 0.761) 11.782 15.848 ( -10.358 -10.016 -0.418) 14.414 16.463 ( -7.158 -10.366 1.640) 12.703 17.360 ( 7.531 6.201 -3.841) 10.485 17.396 ( 3.822 2.051 -1.698) 4.658 17.526 ( 4.828 6.368 2.552) 8.388 17.626 ( 1.833 5.201 -0.262) 5.521 17.634 ( 0.223 5.023 0.373) 5.042 18.472 ( -1.449 -3.635 0.091) 3.914 18.774 ( 2.391 -0.137 0.796) 2.524 19.056 ( 1.678 1.390 -0.229) 2.191 19.152 ( -0.486 0.129 -0.475) 0.692 19.270 ( -11.111 -9.578 2.759) 14.927 20.240 ( 1.937 1.672 -1.093) 2.783 20.258 ( 0.871 -0.179 -2.773) 2.913 20.380 ( 0.199 0.070 0.485) 0.528 20.388 ( -0.105 0.246 -0.633) 0.687 20.427 ( -1.444 -0.342 0.385) 1.533 20.827 ( -1.237 -3.973 2.020) 4.625 ======================= Grid point 16 (11/68) ======================= q-point: ( 0.45 0.09 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( -11.477 19.879 -0.172) 22.955 2.695 ( -10.645 18.438 0.245) 21.292 2.769 ( -2.544 4.406 3.133) 5.975 3.019 ( -2.396 4.149 -3.595) 5.990 3.663 ( -1.270 2.200 0.177) 2.547 3.999 ( 0.765 -1.326 0.317) 1.563 4.425 ( 1.615 -2.798 -1.091) 3.410 4.429 ( 0.847 -1.467 1.962) 2.592 4.692 ( 1.481 -2.566 -1.929) 3.535 5.062 ( 1.573 -2.724 0.549) 3.193 5.231 ( 0.954 -1.652 -0.444) 1.958 5.361 ( -1.673 2.897 -3.078) 4.546 5.574 ( 1.100 -1.905 1.403) 2.609 5.775 ( -2.505 4.339 0.625) 5.049 5.961 ( 6.960 -12.056 4.351) 14.585 5.980 ( 1.336 -2.314 0.520) 2.722 6.225 ( 3.511 -6.081 -2.587) 7.483 6.316 ( 1.042 -1.805 1.473) 2.552 6.747 ( -2.860 4.953 -4.093) 7.033 7.221 ( 3.258 -5.643 6.668) 9.323 7.376 ( -0.420 0.728 -0.558) 1.009 7.433 ( 3.779 -6.545 -3.618) 8.378 7.602 ( -1.006 1.742 0.162) 2.018 7.792 ( -1.273 2.204 -2.043) 3.264 8.022 ( 1.455 -2.520 2.319) 3.721 8.175 ( -2.190 3.794 -1.180) 4.537 8.462 ( 1.724 -2.987 1.647) 3.822 8.620 ( 0.448 -0.776 -1.628) 1.858 9.081 ( -6.180 10.704 0.358) 12.366 9.132 ( -3.131 5.424 -0.816) 6.316 9.238 ( -5.533 9.583 0.400) 11.073 9.333 ( -0.286 0.496 0.742) 0.937 10.756 ( 6.538 -11.324 1.710) 13.187 10.866 ( 9.410 -16.299 -2.796) 19.027 11.396 ( -3.545 6.140 1.364) 7.220 11.541 ( -0.992 1.718 -0.382) 2.021 13.598 ( -1.404 2.432 0.522) 2.856 13.726 ( 0.604 -1.047 -0.782) 1.439 14.419 ( -4.972 8.612 1.335) 10.034 14.421 ( -3.002 5.200 -1.116) 6.108 15.158 ( 0.374 -0.648 -0.103) 0.755 15.239 ( 0.805 -1.394 0.034) 1.610 15.665 ( 1.946 -3.371 -0.406) 3.913 16.326 ( 2.957 -5.122 1.627) 6.135 17.423 ( 0.975 -1.688 -0.321) 1.975 17.469 ( -0.772 1.337 -4.874) 5.112 17.629 ( -1.006 1.743 4.405) 4.844 17.643 ( -2.701 4.678 1.259) 5.546 17.673 ( -2.309 3.999 -3.261) 5.653 18.438 ( 1.416 -2.453 -0.346) 2.853 18.830 ( 0.680 -1.179 1.153) 1.784 19.061 ( 0.987 -1.710 1.669) 2.585 19.101 ( -0.047 0.081 0.874) 0.879 19.146 ( -0.123 0.213 -0.204) 0.320 20.266 ( 0.232 -0.403 -2.989) 3.025 20.268 ( -0.222 0.384 -1.481) 1.546 20.380 ( 0.344 -0.646 -1.001) 1.240 20.380 ( -0.225 0.439 0.985) 1.102 20.426 ( -0.627 1.086 0.975) 1.589 20.792 ( 1.709 -2.960 1.884) 3.903 ======================= Grid point 25 (12/68) ======================= q-point: ( 0.18 0.18 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 14.554 25.208 -0.737) 29.117 2.456 ( 15.087 26.132 -1.332) 30.204 2.646 ( 13.907 24.087 5.913) 28.435 2.703 ( 5.591 9.684 -4.252) 11.963 3.850 ( 3.766 6.523 3.743) 8.410 4.094 ( 6.430 11.137 -6.792) 14.543 4.135 ( 4.617 7.997 -2.986) 9.705 4.413 ( -7.553 -13.083 7.985) 17.087 4.721 ( 4.345 7.525 -10.175) 13.380 4.932 ( -1.767 -3.061 0.764) 3.617 5.030 ( 3.384 5.862 8.049) 10.517 5.063 ( -0.724 -1.255 5.542) 5.728 5.741 ( -7.609 -13.180 -4.789) 15.955 5.759 ( -0.346 -0.599 -2.869) 2.952 5.866 ( 1.751 3.032 1.039) 3.652 6.097 ( 0.239 0.415 -3.969) 3.997 6.211 ( -0.551 -0.954 5.871) 5.973 6.414 ( -1.992 -3.450 -6.635) 7.739 6.485 ( -4.121 -7.138 -0.171) 8.243 6.826 ( 2.830 4.902 7.628) 9.499 7.258 ( -2.239 -3.878 2.040) 4.921 7.321 ( -0.221 -0.383 -4.022) 4.046 7.591 ( 5.327 9.227 2.370) 10.915 7.618 ( 4.110 7.119 -2.728) 8.661 8.594 ( -4.343 -7.523 -1.114) 8.758 8.717 ( -7.646 -13.244 2.862) 15.559 8.730 ( -11.555 -20.013 -2.820) 23.281 8.964 ( -4.836 -8.376 -0.062) 9.671 9.080 ( 1.387 2.403 0.308) 2.792 9.123 ( -0.815 -1.412 1.738) 2.383 9.970 ( -1.044 -1.808 -0.523) 2.152 10.032 ( -2.165 -3.749 0.610) 4.372 10.125 ( 0.854 1.479 -1.643) 2.370 10.144 ( 1.362 2.359 0.387) 2.752 11.286 ( 5.676 9.831 0.234) 11.354 11.406 ( 3.224 5.584 0.557) 6.472 13.557 ( 2.526 4.375 2.585) 5.675 13.668 ( 0.557 0.965 -2.429) 2.673 14.205 ( 9.804 16.981 -2.565) 19.775 14.458 ( 8.886 15.392 2.511) 17.949 14.791 ( -0.708 -1.227 2.098) 2.531 14.807 ( -1.324 -2.293 -1.465) 3.025 16.177 ( -6.877 -11.911 -0.674) 13.770 16.723 ( -5.061 -8.765 6.179) 11.858 16.939 ( 12.059 20.886 -9.283) 25.842 17.280 ( 2.009 3.480 -0.547) 4.056 17.362 ( 4.007 6.941 -0.680) 8.043 17.496 ( 3.844 6.657 3.016) 8.258 17.557 ( 3.979 6.891 -1.004) 8.021 18.555 ( -2.641 -4.574 2.642) 5.905 18.787 ( -2.028 -3.512 -0.264) 4.064 18.980 ( 2.065 3.577 -0.362) 4.146 19.162 ( 0.144 0.250 -2.666) 2.681 19.647 ( -8.251 -14.292 4.612) 17.135 20.175 ( 1.150 1.991 -0.918) 2.476 20.229 ( 0.217 0.376 -3.394) 3.422 20.351 ( 0.684 1.185 -0.560) 1.478 20.398 ( 0.100 0.173 0.944) 0.964 20.515 ( -2.832 -4.905 -1.725) 5.921 20.899 ( -2.258 -3.910 3.498) 5.712 ======================= Grid point 26 (13/68) ======================= q-point: ( 0.27 0.18 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 15.801 21.016 0.539) 26.299 2.769 ( 5.162 10.441 0.133) 11.648 3.008 ( -3.322 32.699 1.366) 32.895 3.123 ( 5.234 30.345 -3.135) 30.952 3.818 ( -1.430 -5.752 -0.304) 5.935 4.079 ( -2.028 -14.234 4.326) 15.015 4.237 ( 1.380 -2.209 -3.425) 4.303 4.457 ( 15.031 7.706 2.997) 17.155 4.702 ( -11.881 -9.431 2.525) 15.378 4.808 ( 3.519 -2.522 -10.300) 11.173 5.177 ( 4.736 10.302 -2.978) 11.723 5.292 ( 14.091 1.806 9.715) 17.211 5.462 ( -9.389 -9.380 -2.953) 13.596 5.721 ( -1.065 -1.195 1.430) 2.146 5.970 ( -2.701 2.731 5.407) 6.632 6.085 ( -1.694 -1.572 -4.401) 4.971 6.189 ( -2.064 -1.517 5.056) 5.668 6.320 ( -1.462 -11.060 -0.565) 11.170 6.432 ( 8.002 8.279 -9.904) 15.188 6.984 ( 6.419 7.277 9.612) 13.658 7.206 ( 0.820 -1.979 -0.747) 2.269 7.309 ( 1.314 -3.306 -4.206) 5.509 7.713 ( -0.441 5.378 -2.183) 5.821 7.795 ( 5.665 7.181 1.415) 9.256 8.298 ( -11.909 -19.719 -1.959) 23.119 8.447 ( -6.883 -9.004 1.229) 11.400 8.472 ( -3.143 -7.836 0.670) 8.469 8.791 ( -5.623 -6.280 0.279) 8.434 9.108 ( -1.270 6.182 0.640) 6.343 9.178 ( 3.953 3.139 0.528) 5.075 9.722 ( -22.806 8.887 -2.293) 24.583 9.794 ( -18.939 7.565 1.714) 20.466 10.307 ( 18.007 -12.504 0.690) 21.933 10.332 ( 18.100 -13.722 -1.362) 22.755 11.432 ( 1.568 6.784 0.437) 6.977 11.505 ( 2.408 3.887 0.143) 4.575 13.622 ( 0.262 3.449 1.600) 3.811 13.689 ( 1.252 -0.292 -1.586) 2.042 14.522 ( 3.316 14.985 -2.090) 15.489 14.641 ( -5.123 13.021 1.695) 14.094 14.792 ( 5.418 0.529 -1.081) 5.550 14.931 ( 14.425 2.635 1.825) 14.777 15.906 ( -9.134 -12.874 -0.712) 15.801 16.470 ( -7.745 -13.450 2.507) 15.722 17.314 ( 7.638 11.366 -6.619) 15.210 17.349 ( 3.338 2.235 -0.852) 4.106 17.513 ( 4.474 7.401 1.636) 8.802 17.639 ( 3.760 7.157 2.578) 8.485 17.687 ( 2.076 7.266 -1.402) 7.686 18.458 ( -2.379 -5.216 0.812) 5.790 18.741 ( 0.265 -1.340 0.843) 1.605 19.044 ( 1.693 2.263 -0.373) 2.851 19.162 ( -0.350 0.042 -1.076) 1.132 19.342 ( -9.640 -12.870 4.639) 16.736 20.228 ( 1.796 2.574 -2.229) 3.850 20.242 ( 0.794 0.326 -4.190) 4.277 20.376 ( 0.649 0.945 -0.680) 1.333 20.397 ( -0.302 0.104 0.688) 0.759 20.442 ( -1.399 -1.770 0.143) 2.261 20.807 ( -2.346 -5.426 3.595) 6.919 ======================= Grid point 27 (14/68) ======================= q-point: ( 0.36 0.18 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( 9.177 11.591 2.456) 14.987 2.920 ( 1.371 6.100 -1.939) 6.546 3.175 ( -14.659 32.571 2.477) 35.803 3.335 ( -13.906 25.937 -3.737) 29.666 3.752 ( -3.094 3.635 0.009) 4.774 3.959 ( 1.090 -5.425 0.926) 5.610 4.317 ( 7.200 -2.700 -2.023) 7.952 4.421 ( -6.740 -7.854 3.278) 10.856 4.669 ( 1.959 2.563 -4.077) 5.199 4.924 ( 11.230 -3.692 3.109) 12.223 5.199 ( -3.543 -7.115 -5.146) 9.469 5.400 ( 5.438 3.648 -0.476) 6.566 5.457 ( 5.212 -5.283 2.760) 7.918 5.754 ( 5.015 3.285 1.262) 6.127 5.869 ( -4.768 -1.711 2.855) 5.815 5.966 ( -5.635 -8.965 -0.258) 10.592 6.106 ( 1.675 -7.001 -3.717) 8.102 6.191 ( 2.238 -12.715 3.096) 13.277 6.797 ( 8.230 14.754 -2.405) 17.065 7.100 ( 3.694 -3.792 7.316) 9.030 7.310 ( 6.025 2.356 -2.435) 6.912 7.326 ( 5.575 1.629 -3.190) 6.626 7.666 ( -5.202 -1.683 0.751) 5.519 7.822 ( -6.702 -9.931 -5.479) 13.175 8.030 ( -0.914 0.760 4.434) 4.591 8.275 ( -5.220 0.093 -0.615) 5.257 8.404 ( 0.803 -3.837 1.497) 4.196 8.658 ( -4.368 -0.755 -0.858) 4.515 9.195 ( 1.770 9.836 0.065) 9.994 9.297 ( 3.152 5.282 0.720) 6.193 9.436 ( -17.293 8.812 -1.411) 19.460 9.553 ( -15.875 7.602 1.121) 17.637 10.442 ( 12.668 -15.028 2.272) 19.786 10.460 ( 14.782 -18.848 -3.015) 24.142 11.493 ( -1.133 4.738 0.743) 4.928 11.564 ( 0.642 1.950 -0.217) 2.065 13.645 ( -0.782 2.249 0.762) 2.500 13.702 ( 0.834 -0.889 -0.855) 1.489 14.583 ( -5.980 10.159 -1.670) 11.907 14.649 ( -7.585 12.505 1.663) 14.720 15.043 ( 13.276 5.044 -0.732) 14.221 15.180 ( 7.006 0.755 0.700) 7.081 15.625 ( -5.844 -11.548 -0.830) 12.969 16.230 ( -2.484 -11.697 2.516) 12.220 17.385 ( 1.588 -0.518 1.011) 1.952 17.489 ( 1.849 4.358 -8.320) 9.573 17.641 ( 2.055 4.028 3.697) 5.840 17.745 ( -0.911 6.691 0.938) 6.817 17.769 ( -1.109 7.080 -2.104) 7.469 18.380 ( 0.257 -5.213 -0.134) 5.221 18.780 ( 3.685 0.785 2.257) 4.392 19.051 ( -3.594 -5.471 3.107) 7.245 19.111 ( -1.735 -1.909 0.990) 2.763 19.153 ( -0.449 -0.132 -0.431) 0.636 20.258 ( 0.469 0.278 -4.890) 4.921 20.274 ( 0.641 1.483 -4.516) 4.796 20.380 ( -0.653 0.353 0.188) 0.765 20.389 ( -0.418 0.077 0.915) 1.009 20.439 ( 0.574 1.049 1.924) 2.266 20.723 ( 0.267 -6.018 3.554) 6.994 ======================= Grid point 37 (15/68) ======================= q-point: ( 0.27 0.27 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( 8.872 15.367 3.277) 18.044 2.927 ( 3.172 5.495 -3.496) 7.244 3.643 ( 12.771 22.121 2.068) 25.626 3.688 ( 11.133 19.284 -2.162) 22.371 3.768 ( 3.268 5.660 -1.961) 6.823 3.815 ( -4.955 -8.582 3.758) 10.598 4.234 ( 1.338 2.318 -5.025) 5.694 4.461 ( -7.047 -12.205 2.455) 14.306 4.643 ( 5.441 9.423 7.288) 13.096 4.738 ( -1.976 -3.423 -8.389) 9.273 5.208 ( -5.507 -9.539 -4.380) 11.853 5.248 ( -1.932 -3.346 5.433) 6.667 5.459 ( 5.943 10.294 -2.632) 12.175 5.744 ( 1.170 2.027 1.632) 2.853 5.910 ( -4.199 -7.273 6.772) 10.789 5.998 ( -5.459 -9.455 -2.227) 11.143 6.034 ( -2.740 -4.747 -4.959) 7.392 6.076 ( -6.185 -10.713 2.744) 12.671 6.792 ( 9.765 16.913 -0.645) 19.540 7.045 ( -0.587 -1.016 7.105) 7.201 7.270 ( 4.387 7.599 -1.308) 8.872 7.279 ( 1.047 1.814 -5.542) 5.925 7.712 ( -2.578 -4.465 0.572) 5.187 7.827 ( -6.609 -11.447 -5.494) 14.314 8.041 ( 1.256 2.176 3.833) 4.583 8.340 ( -1.322 -2.290 2.875) 3.906 8.359 ( -2.172 -3.762 -1.244) 4.519 8.701 ( -1.498 -2.594 -0.131) 2.999 9.235 ( 3.966 6.869 0.830) 7.975 9.288 ( 4.089 7.083 0.044) 8.179 9.818 ( -3.169 -5.489 -0.911) 6.403 9.832 ( -1.741 -3.016 -0.624) 3.538 10.072 ( -3.114 -5.393 -1.656) 6.444 10.137 ( -2.309 -3.999 1.881) 4.987 11.531 ( 1.740 3.015 0.248) 3.490 11.564 ( 1.097 1.900 0.120) 2.197 13.666 ( 0.555 0.962 1.020) 1.508 13.685 ( -0.023 -0.039 -1.013) 1.014 14.787 ( 2.252 3.900 -1.364) 4.706 14.829 ( 2.669 4.623 0.038) 5.339 14.874 ( 7.470 12.938 -0.395) 14.945 15.056 ( 5.640 9.770 1.641) 11.400 15.621 ( -8.371 -14.500 -1.018) 16.774 16.190 ( -7.390 -12.799 2.703) 15.025 17.367 ( 0.331 0.573 1.715) 1.838 17.494 ( 3.239 5.610 -9.622) 11.600 17.645 ( 2.685 4.650 3.707) 6.525 17.788 ( 3.897 6.750 0.778) 7.833 17.824 ( 3.108 5.383 -2.212) 6.597 18.346 ( -3.064 -5.306 0.304) 6.135 18.747 ( 1.271 2.202 2.683) 3.696 19.057 ( -3.384 -5.861 3.125) 7.454 19.118 ( -2.102 -3.641 1.471) 4.454 19.156 ( -0.310 -0.536 -0.587) 0.853 20.256 ( 0.518 0.898 -5.657) 5.751 20.276 ( 0.909 1.574 -6.029) 6.297 20.394 ( -0.174 -0.302 0.677) 0.762 20.397 ( 0.551 0.954 -0.935) 1.444 20.432 ( 0.687 1.190 4.340) 4.552 20.685 ( -3.563 -6.172 4.335) 8.342 ======================= Grid point 38 (16/68) ======================= q-point: ( 0.36 0.27 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( -1.746 3.024 5.736) 6.716 2.984 ( -0.638 1.105 -5.186) 5.341 3.678 ( -4.689 8.122 0.614) 9.399 3.729 ( -6.705 11.613 0.215) 13.411 3.925 ( -3.990 6.910 -0.054) 7.980 4.052 ( -9.406 16.292 -4.233) 19.283 4.264 ( 0.089 -0.155 4.106) 4.110 4.307 ( 0.955 -1.653 -1.829) 2.644 4.684 ( 1.548 -2.681 -3.949) 5.018 4.777 ( 6.149 -10.650 2.030) 12.463 5.095 ( 0.909 -1.575 -2.599) 3.172 5.186 ( 5.408 -9.367 5.126) 11.970 5.611 ( -4.516 7.822 -1.464) 9.150 5.764 ( 2.641 -4.574 -2.093) 5.681 5.792 ( 1.613 -2.795 5.257) 6.168 5.868 ( -0.286 0.495 -3.823) 3.865 5.941 ( 4.385 -7.596 3.985) 9.634 5.994 ( 2.653 -4.595 -3.071) 6.130 6.962 ( -1.445 2.503 3.204) 4.315 7.021 ( 1.637 -2.836 5.141) 6.095 7.351 ( -2.381 4.124 -6.240) 7.850 7.410 ( -0.626 1.085 0.231) 1.274 7.618 ( 3.185 -5.517 -10.274) 12.088 7.629 ( 0.676 -1.171 4.332) 4.538 8.109 ( -1.693 2.933 5.781) 6.700 8.295 ( -0.805 1.394 -1.277) 2.055 8.338 ( 1.547 -2.679 1.513) 3.444 8.677 ( -0.784 1.358 -0.498) 1.645 9.362 ( -2.638 4.570 -0.248) 5.283 9.383 ( -1.681 2.912 0.598) 3.415 9.656 ( -7.758 13.437 -1.908) 15.632 9.757 ( -6.767 11.721 0.998) 13.571 10.052 ( 11.122 -19.263 -2.821) 22.422 10.121 ( 8.716 -15.097 2.543) 17.617 11.561 ( -1.156 2.002 0.306) 2.332 11.584 ( -0.024 0.042 -0.006) 0.048 13.673 ( -0.416 0.720 0.346) 0.901 13.686 ( 0.336 -0.582 -0.389) 0.776 14.807 ( -5.668 9.818 -1.031) 11.384 14.867 ( -3.585 6.210 0.725) 7.207 15.129 ( -1.028 1.780 -0.136) 2.060 15.163 ( 0.185 -0.320 0.091) 0.381 15.403 ( 4.977 -8.621 -1.380) 10.050 16.032 ( 3.518 -6.094 3.191) 7.726 17.372 ( 0.275 -0.475 2.636) 2.692 17.552 ( -0.936 1.621 -10.388) 10.555 17.692 ( -0.686 1.188 4.428) 4.635 17.872 ( -2.509 4.345 -1.619) 5.272 17.881 ( -1.825 3.161 -2.007) 4.165 18.279 ( 2.104 -3.644 1.024) 4.331 18.807 ( -1.006 1.743 3.682) 4.196 18.919 ( 2.807 -4.861 4.916) 7.462 19.123 ( -0.542 0.938 -0.486) 1.187 19.146 ( 0.295 -0.512 -0.443) 0.739 20.269 ( -0.401 0.694 -6.564) 6.612 20.287 ( 0.144 -0.249 -7.740) 7.746 20.391 ( -0.025 0.043 1.339) 1.340 20.405 ( -0.790 1.368 -0.342) 1.616 20.471 ( -1.433 2.483 4.969) 5.736 20.597 ( 3.221 -5.578 4.903) 8.095 ======================= Grid point 133 (17/68) ======================= 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 0.000 0.000 22.686) 22.686 0.435 ( -0.000 -0.000 22.686) 22.686 0.886 ( -0.000 -0.000 45.972) 45.972 1.421 ( 0.000 -0.000 -9.003) 9.003 1.421 ( 0.000 0.000 -9.003) 9.003 2.786 ( 0.000 0.000 -15.684) 15.684 4.751 ( 0.000 0.000 6.711) 6.711 4.751 ( 0.000 -0.000 6.711) 6.711 4.805 ( 0.000 0.000 5.438) 5.438 5.303 ( 0.000 0.000 -6.873) 6.873 5.365 ( 0.000 0.000 -9.687) 9.687 5.365 ( 0.000 -0.000 -9.687) 9.687 5.707 ( -0.000 -0.000 2.150) 2.150 5.981 ( 0.000 0.000 -5.326) 5.326 6.256 ( 0.000 0.000 7.048) 7.048 6.256 ( 0.000 -0.000 7.048) 7.048 6.598 ( 0.000 0.000 -2.585) 2.585 6.598 ( 0.000 -0.000 -2.585) 2.585 7.205 ( 0.000 -0.000 0.345) 0.345 7.205 ( 0.000 0.000 0.345) 0.345 7.251 ( -0.000 -0.000 -0.774) 0.774 7.251 ( 0.000 0.000 -0.774) 0.774 7.502 ( 0.000 0.000 3.840) 3.840 7.639 ( 0.000 0.000 1.406) 1.406 8.997 ( 0.000 -0.000 3.662) 3.662 9.273 ( 0.000 -0.000 0.878) 0.878 9.314 ( -0.000 -0.000 -1.319) 1.319 9.371 ( 0.000 0.000 -3.795) 3.795 9.429 ( 0.000 -0.000 0.806) 0.806 9.429 ( -0.000 0.000 0.806) 0.806 9.499 ( 0.000 0.000 -0.899) 0.899 9.499 ( 0.000 -0.000 -0.899) 0.899 10.115 ( 0.000 0.000 0.265) 0.265 10.115 ( 0.000 -0.000 0.265) 0.265 10.135 ( 0.000 0.000 -0.216) 0.216 10.135 ( 0.000 -0.000 -0.216) 0.216 13.271 ( 0.000 0.000 2.248) 2.248 13.271 ( 0.000 -0.000 2.248) 2.248 13.463 ( -0.000 0.000 -2.461) 2.461 13.463 ( 0.000 -0.000 -2.461) 2.461 14.951 ( 0.000 -0.000 0.917) 0.917 14.951 ( -0.000 -0.000 0.917) 0.917 15.020 ( 0.000 0.000 -0.785) 0.785 15.020 ( -0.000 -0.000 -0.785) 0.785 17.072 ( 0.000 0.000 1.450) 1.450 17.072 ( -0.000 0.000 1.450) 1.450 17.147 ( -0.000 0.000 0.834) 0.834 17.190 ( 0.000 0.000 -1.432) 1.432 17.190 ( 0.000 -0.000 -1.432) 1.432 17.217 ( 0.000 -0.000 -0.879) 0.879 18.723 ( 0.000 0.000 0.282) 0.282 18.744 ( 0.000 -0.000 -0.221) 0.221 20.209 ( 0.000 0.000 0.127) 0.127 20.209 ( -0.000 -0.000 0.127) 0.127 20.218 ( 0.000 0.000 -0.086) 0.086 20.218 ( 0.000 -0.000 -0.086) 0.086 20.300 ( -0.000 -0.000 0.268) 0.268 20.323 ( 0.000 0.000 -0.296) 0.296 21.118 ( -0.000 0.000 0.211) 0.211 21.135 ( 0.000 0.000 -0.194) 0.194 ======================= Grid point 134 (18/68) ======================= q-point: ( 0.09 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 29.671 0.001 12.023) 32.015 0.895 ( 12.840 4.055 30.670) 33.495 1.511 ( 14.139 26.933 -4.288) 30.720 1.559 ( 38.698 27.673 7.833) 48.215 1.938 ( 39.855 11.210 -6.372) 41.889 2.728 ( -4.137 -1.034 -12.396) 13.109 4.603 ( -9.546 -3.700 3.758) 10.906 4.721 ( 1.125 -8.759 4.561) 9.939 4.903 ( 1.549 8.189 7.627) 11.297 5.164 ( -7.648 -6.821 -13.074) 16.611 5.217 ( -7.072 -3.146 1.680) 7.920 5.352 ( -8.553 4.857 -0.413) 9.845 5.774 ( 4.841 -4.101 -7.538) 9.853 5.970 ( -1.059 0.326 -7.806) 7.885 6.134 ( -6.230 0.095 5.330) 8.199 6.333 ( -17.563 -12.718 22.082) 30.948 6.376 ( 3.065 0.375 8.612) 9.149 6.495 ( -2.505 -8.453 -2.019) 9.044 6.652 ( -2.650 4.859 1.313) 5.688 7.193 ( -8.903 -10.305 -6.487) 15.084 7.214 ( 0.586 1.394 0.402) 1.565 7.272 ( 3.211 -0.973 0.671) 3.422 7.288 ( 3.893 -1.465 2.977) 5.115 7.438 ( -8.397 4.031 3.725) 10.031 8.960 ( -2.459 -1.559 2.986) 4.170 9.103 ( -5.622 -4.050 1.786) 7.155 9.192 ( -3.724 -1.990 -3.048) 5.208 9.264 ( -4.143 -2.382 -1.297) 4.952 9.421 ( -1.843 1.480 0.784) 2.491 9.499 ( 0.723 -1.857 -1.053) 2.254 9.826 ( 8.118 0.536 2.738) 8.584 9.999 ( -8.351 -2.386 -0.454) 8.697 10.162 ( 5.810 2.644 0.317) 6.391 10.190 ( 13.282 3.152 -0.206) 13.653 10.248 ( 5.710 12.932 0.612) 14.149 10.811 ( 22.238 12.256 -21.766) 33.444 13.308 ( 1.948 3.884 2.187) 4.865 13.376 ( 9.039 3.326 3.019) 10.093 13.566 ( 6.184 4.739 -4.312) 8.905 13.622 ( 7.158 1.387 -3.654) 8.156 14.928 ( -2.990 1.024 0.793) 3.258 14.996 ( -1.124 -2.747 -0.824) 3.081 15.246 ( 24.951 11.402 4.402) 27.784 16.330 ( 29.986 17.347 -36.175) 50.087 17.086 ( 1.566 1.139 1.012) 2.184 17.104 ( 2.195 1.447 1.732) 3.149 17.180 ( -2.580 -1.426 -0.838) 3.065 17.214 ( 2.171 2.021 -2.108) 3.639 17.227 ( 3.824 0.169 -1.571) 4.138 17.545 ( 30.654 19.949 -43.700) 56.985 18.757 ( 2.713 1.529 0.281) 3.127 18.780 ( 3.033 1.806 -0.434) 3.556 19.921 ( -16.810 -12.290 18.656) 27.958 20.162 ( -4.927 -0.270 -0.680) 4.981 20.192 ( -1.511 -0.978 0.423) 1.849 20.223 ( 1.022 -1.504 -0.282) 1.840 20.307 ( 0.479 0.128 0.528) 0.725 20.345 ( 1.156 1.117 -0.366) 1.649 21.014 ( -7.736 -4.711 -0.031) 9.058 21.018 ( -5.757 -0.963 -0.178) 5.839 ======================= Grid point 135 (19/68) ======================= q-point: ( 0.18 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 16.923 9.017 21.841) 29.064 1.383 ( 27.668 6.581 5.345) 28.938 1.819 ( 10.039 15.123 -5.154) 18.870 2.517 ( 3.688 -1.164 -15.390) 15.868 2.837 ( 51.919 33.019 3.786) 61.646 2.995 ( 36.790 21.105 2.833) 42.508 4.374 ( -9.139 -6.274 4.854) 12.102 4.652 ( 0.378 -7.220 0.361) 7.239 4.896 ( -10.116 0.683 0.293) 10.143 4.950 ( -9.797 -2.752 -9.185) 13.708 5.103 ( -1.472 -1.758 8.699) 8.996 5.252 ( -6.336 2.582 2.969) 7.458 5.744 ( -0.677 -6.680 -6.584) 9.404 5.940 ( -1.366 -0.630 -9.117) 9.240 6.047 ( -5.980 -0.658 0.130) 6.017 6.108 ( -3.882 -4.834 6.292) 8.833 6.264 ( -7.496 -6.028 1.510) 9.737 6.504 ( 5.044 -2.487 5.230) 7.680 6.645 ( -3.542 2.930 -1.487) 4.831 6.892 ( -8.843 -5.262 -2.987) 10.715 7.268 ( 4.159 0.547 0.247) 4.202 7.324 ( 1.638 1.385 0.191) 2.154 7.367 ( 3.676 2.152 1.951) 4.685 7.448 ( 1.156 3.548 2.067) 4.266 8.902 ( -1.919 -1.589 2.257) 3.362 8.958 ( -6.420 -4.601 2.088) 8.170 9.088 ( -6.816 -2.213 -2.650) 7.641 9.139 ( -4.397 -3.950 -1.280) 6.048 9.392 ( -3.579 1.911 0.661) 4.110 9.480 ( 1.041 -5.183 -1.449) 5.482 9.632 ( -16.184 -5.128 1.830) 17.075 9.745 ( -13.491 -9.759 -0.897) 16.675 10.338 ( 7.849 7.224 1.067) 10.721 10.440 ( 12.713 1.559 -1.672) 12.917 10.706 ( 17.615 13.853 3.823) 22.734 11.104 ( 7.866 5.066 -6.451) 11.365 13.395 ( 2.709 4.364 2.254) 5.609 13.630 ( 5.665 4.739 -1.968) 7.644 13.659 ( 12.685 0.333 1.494) 12.777 13.888 ( 13.016 10.378 -1.931) 16.759 14.874 ( -3.469 0.298 0.416) 3.507 14.926 ( -2.918 -3.492 -0.766) 4.615 15.949 ( 33.436 17.042 7.819) 38.335 16.497 ( -3.197 -2.560 -2.490) 4.793 17.079 ( -5.084 -3.261 0.851) 6.100 17.153 ( 3.887 2.267 0.851) 4.580 17.182 ( 4.260 1.769 1.934) 5.002 17.297 ( 3.738 3.617 -2.051) 5.591 17.321 ( 5.326 1.788 -0.979) 5.703 18.096 ( 11.998 9.233 -41.938) 44.587 18.842 ( 4.294 2.334 0.282) 4.895 18.876 ( 4.110 2.911 -0.933) 5.122 19.536 ( -12.400 -10.836 20.126) 26.004 20.020 ( -10.029 -2.373 -2.378) 10.577 20.160 ( -0.811 -0.549 0.945) 1.361 20.226 ( 1.194 -1.686 -0.866) 2.240 20.321 ( 0.934 0.191 0.564) 1.108 20.372 ( 0.454 1.038 -0.376) 1.193 20.791 ( -8.869 -6.663 0.758) 11.119 20.948 ( -3.577 1.325 -4.144) 5.632 ======================= Grid point 136 (20/68) ======================= q-point: ( 0.27 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 22.217 11.605 13.106) 28.285 1.886 ( 19.344 9.117 2.473) 21.527 2.149 ( 11.400 10.039 -2.637) 15.417 2.549 ( 3.893 1.410 -9.670) 10.519 3.835 ( 28.692 20.732 1.103) 35.416 4.007 ( 38.677 18.018 -2.643) 42.750 4.194 ( -0.724 -4.483 7.131) 8.454 4.552 ( -10.052 -2.738 -3.655) 11.041 4.718 ( 2.156 -1.589 2.912) 3.957 4.832 ( -2.132 3.220 -3.905) 5.492 5.050 ( -4.544 -0.268 6.944) 8.303 5.140 ( -7.138 -1.105 5.137) 8.864 5.658 ( -2.040 -5.354 -7.886) 9.748 5.859 ( -6.821 -8.548 -0.191) 10.938 5.942 ( 1.592 -0.962 -9.388) 9.571 6.006 ( -7.022 3.217 -0.818) 7.767 6.113 ( -2.602 -6.119 4.877) 8.246 6.519 ( -1.206 -2.292 -2.117) 3.345 6.615 ( -0.837 0.853 1.896) 2.241 6.800 ( -1.284 2.375 0.755) 2.803 7.319 ( 0.033 -0.148 1.505) 1.512 7.376 ( 3.721 2.051 -1.292) 4.441 7.461 ( 4.945 2.105 2.675) 6.004 7.542 ( 4.809 3.496 -0.031) 5.946 8.772 ( -9.455 -5.004 1.718) 10.835 8.852 ( -1.422 -7.481 0.007) 7.615 8.902 ( -9.153 1.109 1.248) 9.304 9.068 ( -0.502 -2.725 -2.202) 3.540 9.225 ( -16.557 -10.676 0.417) 19.704 9.300 ( -21.746 3.905 -1.726) 22.161 9.366 ( -1.262 -18.302 1.729) 18.427 9.454 ( -4.557 1.719 -0.778) 4.932 10.563 ( 8.264 7.530 1.320) 11.258 10.686 ( 12.360 2.250 -1.885) 12.703 11.051 ( 9.499 7.781 2.849) 12.606 11.272 ( 6.461 3.840 -2.748) 8.002 13.483 ( 2.414 3.472 1.952) 4.657 13.676 ( 2.446 -1.071 -2.846) 3.902 14.015 ( 16.177 7.941 3.251) 18.312 14.213 ( 10.622 8.257 -1.290) 13.515 14.822 ( -1.906 -2.042 0.027) 2.794 14.864 ( 0.349 1.457 -1.184) 1.910 16.333 ( -9.127 -5.910 3.103) 11.308 16.588 ( 14.094 9.154 -3.407) 17.148 16.994 ( 4.859 -0.645 11.434) 12.441 17.261 ( 5.064 2.457 1.168) 5.749 17.292 ( 5.442 2.836 1.014) 6.220 17.417 ( 4.915 4.652 -1.744) 6.989 17.441 ( 5.471 2.321 -0.418) 5.958 18.270 ( 2.936 3.579 -25.418) 25.836 18.940 ( 2.932 1.811 1.227) 3.658 18.951 ( 1.839 1.807 2.026) 3.279 19.267 ( -6.921 -7.494 11.109) 15.082 19.755 ( -15.029 -4.958 -3.880) 16.294 20.160 ( 0.827 0.385 0.440) 1.013 20.231 ( 1.385 -1.744 -1.412) 2.637 20.344 ( 1.397 0.247 0.457) 1.490 20.382 ( -0.240 0.770 -0.257) 0.847 20.608 ( -4.843 -4.723 3.179) 7.474 20.899 ( -3.460 1.054 -4.606) 5.856 ======================= Grid point 137 (21/68) ======================= q-point: ( 0.36 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 17.942 8.676 5.837) 20.766 2.261 ( 13.599 10.923 3.520) 17.795 2.380 ( 6.408 4.044 -2.554) 7.996 2.715 ( 11.092 4.020 -5.793) 13.144 3.949 ( -8.171 -4.901 2.079) 9.752 4.223 ( -11.574 -3.652 -5.447) 13.303 4.395 ( 5.800 2.882 3.272) 7.256 4.496 ( 4.978 2.780 0.608) 5.734 4.849 ( -3.239 -7.265 0.143) 7.956 4.957 ( 3.422 5.902 3.921) 7.868 5.008 ( 10.897 -2.240 -0.177) 11.127 5.313 ( 12.439 17.788 7.409) 22.935 5.574 ( 4.689 4.831 -8.369) 10.741 5.738 ( -1.870 -3.426 1.293) 4.111 5.843 ( -8.045 2.128 -4.868) 9.641 6.032 ( 6.920 -3.602 0.369) 7.810 6.055 ( 1.768 -2.524 0.055) 3.082 6.443 ( -4.205 -2.525 -5.018) 7.017 6.611 ( 0.899 -1.113 5.542) 5.724 6.893 ( 5.653 9.153 -2.568) 11.061 7.322 ( 0.154 1.488 2.688) 3.076 7.457 ( 4.586 -1.249 -1.751) 5.066 7.578 ( 5.605 0.921 2.049) 6.038 7.663 ( 3.324 4.903 -0.502) 5.945 8.488 ( -15.223 -8.191 2.034) 17.406 8.661 ( -6.151 -8.246 -0.919) 10.328 8.744 ( -23.037 -9.810 -0.880) 25.054 8.846 ( -12.384 -5.083 -1.815) 13.509 8.914 ( -1.917 -3.079 2.944) 4.671 9.076 ( 0.352 1.637 -1.386) 2.174 9.245 ( -3.935 -4.690 2.057) 6.459 9.390 ( -3.707 -0.528 -1.546) 4.051 10.763 ( 5.974 6.029 1.509) 8.621 10.904 ( 9.986 0.738 -2.196) 10.252 11.231 ( 3.919 5.275 2.705) 7.106 11.410 ( 5.104 2.392 -1.937) 5.960 13.547 ( 1.542 2.162 1.687) 3.146 13.703 ( 1.708 -0.778 -2.160) 2.862 14.296 ( 5.587 4.159 1.776) 7.188 14.369 ( 2.215 0.953 -0.043) 2.412 14.848 ( 7.325 3.136 1.420) 8.093 15.009 ( 9.654 6.873 -2.424) 12.096 16.073 ( -11.831 -7.375 4.905) 14.779 16.547 ( -9.972 -3.940 -8.063) 13.415 17.288 ( 14.873 3.241 9.729) 18.066 17.370 ( 4.937 1.145 1.372) 5.250 17.422 ( 4.000 5.211 -0.138) 6.570 17.545 ( 2.578 3.534 -1.178) 4.530 17.570 ( 7.645 3.164 2.600) 8.673 18.331 ( 1.522 1.973 -15.773) 15.969 18.910 ( -3.480 -1.486 8.434) 9.244 19.026 ( 2.867 1.316 0.204) 3.161 19.154 ( -0.993 -2.132 0.780) 2.478 19.422 ( -15.329 -5.571 -3.633) 16.710 20.187 ( 1.264 0.677 -1.311) 1.943 20.239 ( 1.629 -1.919 -1.810) 3.101 20.374 ( 1.624 0.174 0.214) 1.647 20.383 ( -0.471 0.710 0.157) 0.866 20.518 ( -1.645 -2.254 5.531) 6.195 20.847 ( -3.270 0.641 -3.681) 4.965 ======================= Grid point 138 (22/68) ======================= q-point: ( 0.45 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 2.836 1.874 1.262) 3.626 2.448 ( 1.644 1.101 -1.699) 2.608 2.675 ( 12.453 9.527 3.064) 15.976 2.933 ( 7.114 0.788 -3.175) 7.830 3.724 ( -8.280 -4.165 2.976) 9.735 4.003 ( -6.297 -3.447 -4.536) 8.492 4.468 ( 1.316 2.412 5.051) 5.750 4.521 ( -1.750 -0.758 3.838) 4.286 4.730 ( -0.476 -3.475 -1.224) 3.715 4.972 ( 0.097 -0.177 -8.813) 8.816 5.272 ( 3.221 1.505 3.081) 4.704 5.378 ( 6.732 0.904 7.029) 9.774 5.572 ( -5.907 -1.887 -3.519) 7.130 5.742 ( -3.463 -1.400 -1.025) 3.873 5.967 ( 3.360 7.250 -0.766) 8.027 6.100 ( -0.729 6.987 -3.725) 7.952 6.213 ( 11.920 0.237 1.517) 12.018 6.332 ( -3.456 -4.261 -1.402) 5.663 6.696 ( 9.713 0.646 5.946) 11.407 7.141 ( 5.671 10.542 -7.554) 14.155 7.377 ( 4.647 3.341 4.112) 7.047 7.510 ( 3.794 -2.854 -1.362) 4.939 7.617 ( -1.143 -3.163 1.818) 3.823 7.729 ( -1.670 2.464 -1.153) 3.192 8.156 ( -9.819 -6.431 1.429) 11.824 8.223 ( -15.944 -8.526 0.158) 18.081 8.521 ( -4.064 -1.352 0.087) 4.284 8.637 ( -3.920 -3.993 -2.973) 6.336 8.956 ( 2.785 2.188 2.790) 4.509 9.095 ( -1.319 -1.190 -0.406) 1.823 9.144 ( -1.335 -1.078 1.804) 2.490 9.323 ( -2.530 -0.399 -1.977) 3.235 10.881 ( 1.588 3.355 1.653) 4.063 11.035 ( 5.304 -2.358 -2.459) 6.304 11.311 ( 0.087 3.752 2.903) 4.745 11.490 ( 2.140 0.440 -1.842) 2.858 13.580 ( 0.364 0.978 1.588) 1.900 13.719 ( 0.860 -0.704 -1.816) 2.130 14.335 ( -1.043 1.331 0.789) 1.866 14.372 ( 0.001 -1.513 -0.119) 1.517 15.099 ( 10.787 5.812 1.706) 12.371 15.226 ( 4.901 3.261 -1.347) 6.038 15.808 ( -8.113 -5.235 5.680) 11.202 16.341 ( -6.839 -2.250 -7.662) 10.514 17.445 ( 2.773 -0.402 1.090) 3.006 17.467 ( 5.627 -2.642 3.164) 6.975 17.524 ( 1.872 4.323 -1.827) 5.053 17.585 ( -1.240 1.979 -1.221) 2.635 17.721 ( 4.478 1.685 7.841) 9.186 18.371 ( 1.121 0.739 -9.568) 9.662 18.864 ( -0.426 0.748 4.154) 4.242 19.070 ( 1.188 0.164 -0.140) 1.207 19.138 ( -1.168 -0.660 -0.919) 1.626 19.147 ( -8.043 -2.157 -1.401) 8.445 20.208 ( 0.411 0.279 -2.903) 2.945 20.247 ( 1.556 -2.291 -2.104) 3.478 20.382 ( -0.435 0.810 0.594) 1.095 20.398 ( 1.068 -0.489 -0.110) 1.180 20.491 ( -0.110 -0.545 6.894) 6.916 20.806 ( -1.991 0.999 -2.670) 3.477 ======================= Grid point 145 (23/68) ======================= q-point: ( 0.09 0.09 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 7.635 13.224 25.901) 30.068 1.148 ( 17.194 29.782 -0.171) 34.389 1.903 ( 9.889 17.128 1.329) 19.822 2.352 ( 10.954 18.972 -16.123) 27.201 2.527 ( 30.159 52.237 6.662) 60.685 2.803 ( 10.053 17.412 -2.114) 20.217 4.434 ( -6.661 -11.537 4.544) 14.076 4.590 ( -2.385 -4.131 -0.850) 4.845 5.011 ( -4.403 -7.626 -8.756) 12.418 5.035 ( 1.849 3.203 7.935) 8.755 5.098 ( -4.598 -7.963 2.886) 9.637 5.346 ( -2.591 -4.487 2.020) 5.561 5.690 ( -1.703 -2.949 -5.875) 6.790 5.972 ( -0.554 -0.960 -11.201) 11.256 6.101 ( -4.248 -7.358 13.452) 15.911 6.103 ( -2.556 -4.426 -0.577) 5.144 6.333 ( -3.494 -6.052 -6.353) 9.444 6.397 ( 0.215 0.373 9.000) 9.010 6.698 ( -0.127 -0.220 1.968) 1.985 6.943 ( -5.943 -10.294 -5.345) 13.033 7.233 ( 0.798 1.382 1.135) 1.958 7.321 ( 2.355 4.078 -2.372) 5.273 7.325 ( 2.797 4.845 1.986) 5.937 7.480 ( -0.088 -0.152 4.907) 4.910 8.899 ( -2.713 -4.699 2.260) 5.878 9.014 ( -2.099 -3.636 1.640) 4.507 9.128 ( -2.157 -3.736 -2.714) 5.096 9.167 ( -3.994 -6.917 -0.933) 8.042 9.386 ( -4.759 -8.243 -1.718) 9.672 9.388 ( -2.567 -4.446 1.769) 5.430 9.949 ( 1.625 2.815 0.736) 3.333 10.058 ( -0.663 -1.148 -1.420) 1.943 10.074 ( 0.068 0.118 0.857) 0.868 10.129 ( -0.363 -0.628 0.017) 0.726 10.676 ( 12.543 21.725 3.343) 25.308 11.074 ( 6.214 10.762 -8.409) 15.005 13.420 ( 3.029 5.247 4.394) 7.484 13.513 ( 5.414 9.377 1.392) 10.917 13.608 ( 2.068 3.583 -5.309) 6.731 13.825 ( 8.554 14.816 -1.130) 17.146 14.919 ( -1.199 -2.077 1.849) 3.029 14.927 ( -2.193 -3.799 -1.786) 4.736 15.716 ( 18.413 31.893 6.567) 37.408 16.502 ( -0.347 -0.601 -6.258) 6.296 17.109 ( -2.878 -4.985 0.000) 5.757 17.132 ( 1.740 3.014 0.709) 3.552 17.152 ( 1.769 3.064 1.705) 3.928 17.280 ( 2.724 4.719 -1.150) 5.569 17.282 ( 2.612 4.524 -2.097) 5.629 18.023 ( 10.768 18.650 -46.320) 51.082 18.814 ( 2.232 3.866 0.245) 4.471 18.851 ( 2.756 4.773 -1.197) 5.640 19.594 ( -9.515 -16.480 20.785) 28.180 20.112 ( -3.316 -5.744 -0.253) 6.637 20.167 ( -0.749 -1.297 1.035) 1.821 20.189 ( -0.383 -0.663 -1.430) 1.621 20.313 ( 0.303 0.526 0.370) 0.711 20.374 ( 0.758 1.312 -0.312) 1.547 20.840 ( -6.184 -10.711 -0.379) 12.374 20.995 ( -0.859 -1.487 -2.585) 3.103 ======================= Grid point 146 (24/68) ======================= q-point: ( 0.18 0.09 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 15.478 17.205 15.355) 27.773 1.779 ( 17.202 29.057 -0.919) 33.780 2.233 ( 3.658 24.102 1.236) 24.410 2.505 ( 3.900 0.990 -11.434) 12.122 3.498 ( 30.797 28.354 2.809) 41.956 3.563 ( 34.137 30.844 -0.142) 46.007 4.198 ( -6.521 -10.061 3.508) 12.492 4.533 ( 1.116 -3.719 -4.146) 5.681 4.809 ( -10.476 -8.871 4.330) 14.394 4.948 ( -4.954 3.832 -3.386) 7.120 5.054 ( 1.010 -3.215 4.959) 5.996 5.254 ( -4.764 -1.901 6.079) 7.954 5.643 ( -0.848 -2.072 -5.450) 5.892 5.899 ( -6.054 -8.951 -4.801) 11.825 5.931 ( -4.704 -1.688 -5.188) 7.204 6.026 ( 1.131 -6.632 2.673) 7.240 6.218 ( -8.194 2.214 -4.735) 9.719 6.422 ( 4.889 -5.634 2.555) 7.885 6.655 ( -2.775 -2.235 2.688) 4.463 6.833 ( -0.858 0.310 -0.702) 1.151 7.270 ( 1.977 -0.083 -0.767) 2.122 7.402 ( -1.101 0.219 2.334) 2.590 7.419 ( 2.889 5.793 -0.135) 6.475 7.501 ( 4.755 3.985 2.345) 6.632 8.768 ( -3.624 -8.806 1.526) 9.644 8.928 ( -8.025 -3.479 0.816) 8.784 9.003 ( -3.558 -5.637 0.356) 6.676 9.058 ( -2.184 -3.512 -2.448) 4.806 9.174 ( -4.810 -15.047 -0.380) 15.802 9.269 ( -2.508 -10.036 0.840) 10.379 9.754 ( -21.793 11.204 -1.542) 24.553 9.853 ( -21.120 12.146 1.155) 24.391 10.282 ( 21.653 -10.152 -0.889) 23.931 10.328 ( 18.390 -8.305 0.716) 20.191 11.047 ( 7.693 15.298 2.210) 17.265 11.256 ( 3.878 8.157 -2.950) 9.502 13.509 ( 0.718 6.038 3.467) 6.999 13.611 ( 3.336 -0.612 -3.002) 4.529 13.862 ( 12.667 13.438 0.667) 18.479 14.156 ( 9.972 15.205 -0.782) 18.200 14.839 ( -2.974 -3.545 -1.265) 4.798 14.870 ( -1.164 -1.906 0.997) 2.446 16.392 ( 4.695 5.388 2.246) 7.491 16.403 ( 11.050 11.282 2.914) 16.059 16.975 ( -4.025 -6.240 3.965) 8.418 17.220 ( 2.943 3.569 0.760) 4.688 17.234 ( 4.536 3.847 0.850) 6.007 17.392 ( 3.542 5.742 -1.874) 7.002 17.403 ( 4.594 5.942 -0.005) 7.511 18.257 ( 3.647 5.574 -29.109) 29.861 18.903 ( 3.251 3.470 0.166) 4.758 18.945 ( 2.103 3.072 0.517) 3.758 19.299 ( -7.245 -10.983 14.053) 19.251 19.920 ( -10.248 -8.025 -1.331) 13.084 20.152 ( 0.146 -0.094 1.081) 1.095 20.187 ( 1.150 -1.661 -2.038) 2.870 20.328 ( 0.771 0.571 0.157) 0.972 20.393 ( 0.106 0.830 -0.286) 0.885 20.636 ( -5.125 -7.255 0.906) 8.929 20.955 ( -2.346 -0.867 -3.105) 3.987 ======================= Grid point 147 (25/68) ======================= q-point: ( 0.27 0.09 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 19.025 18.359 8.523) 27.779 2.296 ( 6.945 28.675 0.482) 29.508 2.522 ( -0.291 25.244 -0.074) 25.246 2.615 ( 5.029 5.559 -7.083) 10.313 3.992 ( -4.268 -8.178 1.702) 9.381 4.190 ( 16.949 1.906 0.681) 17.069 4.240 ( 19.313 10.348 -2.973) 22.111 4.471 ( -9.192 -6.053 1.366) 11.091 4.652 ( 11.250 -2.340 -1.890) 11.645 4.906 ( -4.217 -4.772 0.755) 6.413 5.072 ( -5.913 2.288 5.969) 8.707 5.303 ( 14.348 20.883 9.170) 26.945 5.582 ( -6.665 -4.292 -5.940) 9.906 5.698 ( -0.466 -4.254 -2.377) 4.895 5.929 ( 2.262 0.142 -4.713) 5.230 5.969 ( -1.126 -5.567 -2.854) 6.356 6.083 ( -8.215 3.387 -1.938) 9.094 6.422 ( 1.464 -7.159 -3.276) 8.008 6.573 ( -1.235 -5.444 4.724) 7.313 6.899 ( 3.596 7.436 0.060) 8.260 7.291 ( 1.793 -2.337 0.335) 2.964 7.367 ( 1.427 -4.136 1.998) 4.810 7.538 ( 2.715 6.617 -0.550) 7.174 7.666 ( 5.424 7.499 0.885) 9.297 8.610 ( -3.779 -11.975 -0.833) 12.584 8.639 ( -12.162 -10.123 2.457) 16.013 8.827 ( -7.176 -18.502 0.767) 19.860 8.939 ( -6.987 -11.312 -2.386) 13.509 9.002 ( -4.208 4.599 1.359) 6.380 9.148 ( -2.335 -0.147 -0.742) 2.455 9.489 ( -19.020 9.721 -0.942) 21.381 9.626 ( -17.579 10.444 0.778) 20.462 10.547 ( 19.371 -10.294 -0.909) 21.955 10.561 ( 16.632 -7.862 0.802) 18.414 11.273 ( 3.315 10.543 1.731) 11.187 11.389 ( 2.887 6.378 -1.674) 7.198 13.571 ( 0.136 4.567 2.210) 5.076 13.659 ( 2.433 -0.099 -2.247) 3.313 14.226 ( 11.087 12.014 0.975) 16.377 14.414 ( 1.420 11.353 0.424) 11.450 14.781 ( 1.163 -1.120 -0.412) 1.666 14.903 ( 7.095 1.817 -0.698) 7.358 16.173 ( -9.241 -9.688 3.942) 13.957 16.641 ( -6.188 -5.376 -8.589) 11.873 17.081 ( 14.421 8.899 11.068) 20.240 17.307 ( 3.742 2.119 0.665) 4.351 17.391 ( 6.732 6.968 2.395) 9.981 17.514 ( 3.153 6.014 -1.238) 6.902 17.549 ( 4.041 6.807 0.535) 7.934 18.325 ( 1.039 1.483 -18.026) 18.117 18.942 ( -2.672 -2.674 8.787) 9.566 18.991 ( 2.907 2.218 0.136) 3.660 19.148 ( -1.262 -2.956 1.283) 3.460 19.609 ( -13.692 -9.293 -1.998) 16.668 20.170 ( 1.336 0.537 0.110) 1.444 20.192 ( 1.385 -1.786 -2.638) 3.474 20.352 ( 1.178 0.507 -0.107) 1.287 20.397 ( -0.318 0.587 0.011) 0.667 20.523 ( -2.031 -3.033 3.252) 4.889 20.896 ( -2.791 -1.576 -2.533) 4.085 ======================= Grid point 148 (26/68) ======================= q-point: ( 0.36 0.09 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 10.052 18.455 3.137) 21.248 2.626 ( 2.742 22.319 2.247) 22.598 2.662 ( -9.324 22.434 0.985) 24.314 2.827 ( 7.880 7.535 -6.367) 12.626 3.827 ( -6.717 -5.419 2.196) 8.905 4.103 ( -11.171 -7.273 -2.779) 13.617 4.383 ( 9.269 -3.721 2.358) 10.262 4.543 ( 2.100 2.458 1.007) 3.386 4.668 ( -3.916 -9.251 0.265) 10.049 4.957 ( 4.896 -1.051 -3.615) 6.176 5.134 ( 12.747 8.656 3.053) 15.708 5.368 ( -5.990 -4.357 2.383) 7.781 5.656 ( -5.295 -2.946 -3.243) 6.873 5.749 ( 8.545 -2.315 3.605) 9.559 5.931 ( 3.604 -2.268 -0.958) 4.364 5.981 ( 0.892 2.998 -2.270) 3.865 6.175 ( 8.623 18.150 -2.159) 20.210 6.320 ( -2.619 -8.608 -3.356) 9.603 6.547 ( 6.332 -3.561 4.400) 8.493 7.106 ( 8.699 10.367 -3.559) 13.994 7.301 ( 3.375 -3.135 4.157) 6.205 7.370 ( 4.476 -6.542 -0.872) 7.975 7.624 ( -0.086 3.812 -0.307) 3.825 7.805 ( 0.449 5.972 0.044) 5.989 8.257 ( -11.424 -13.351 0.875) 17.593 8.419 ( -16.182 -14.365 1.527) 21.692 8.506 ( -0.836 -5.319 0.205) 5.388 8.695 ( -8.121 -6.824 -3.102) 11.052 9.021 ( -1.422 8.308 1.897) 8.640 9.171 ( -0.028 6.384 -0.937) 6.453 9.284 ( -13.248 5.384 0.813) 14.323 9.441 ( -11.852 4.579 -0.412) 12.713 10.734 ( 11.712 -7.843 2.696) 14.351 10.741 ( 15.469 -13.424 -2.768) 20.668 11.393 ( -0.025 7.593 2.030) 7.860 11.484 ( 1.540 4.116 -1.764) 4.736 13.608 ( -0.506 3.288 1.768) 3.768 13.691 ( 1.346 -0.360 -1.831) 2.300 14.399 ( -1.093 5.390 -0.743) 5.550 14.456 ( -5.583 8.494 1.491) 10.273 14.939 ( 13.054 5.269 1.334) 14.141 15.126 ( 10.643 4.357 -1.427) 11.588 15.891 ( -9.886 -10.300 4.869) 15.084 16.415 ( -7.807 -8.758 -6.507) 13.416 17.336 ( 7.567 1.677 1.166) 7.838 17.387 ( 3.250 0.842 0.475) 3.391 17.573 ( 2.038 8.631 1.058) 8.931 17.623 ( 2.498 4.964 2.399) 6.053 17.674 ( 3.189 5.459 3.159) 7.068 18.349 ( 1.271 -0.457 -10.826) 10.910 18.868 ( -0.862 -1.990 6.925) 7.257 19.050 ( 1.643 0.975 -0.421) 1.956 19.135 ( 0.134 -0.110 -1.349) 1.360 19.288 ( -11.687 -7.292 -1.202) 13.827 20.198 ( 1.154 -0.506 -1.877) 2.261 20.199 ( 1.323 -1.113 -2.706) 3.211 20.376 ( 1.024 0.017 -0.310) 1.070 20.398 ( -0.305 0.739 0.698) 1.061 20.489 ( -0.241 -0.406 4.763) 4.786 20.832 ( -1.861 -2.202 -1.590) 3.293 ======================= Grid point 149 (27/68) ======================= q-point: ( 0.45 0.09 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( -10.804 18.713 0.864) 21.625 2.683 ( -11.482 19.888 -1.496) 23.013 2.849 ( -4.623 8.008 5.150) 10.584 2.935 ( -0.262 0.454 -5.078) 5.105 3.696 ( -1.121 1.942 3.287) 3.979 3.959 ( 0.332 -0.575 -4.278) 4.329 4.447 ( 2.794 -4.840 3.080) 6.381 4.502 ( 0.552 -0.957 5.341) 5.454 4.657 ( 1.707 -2.957 -1.635) 3.786 4.967 ( -0.191 0.332 -8.027) 8.036 5.285 ( 1.458 -2.525 3.221) 4.344 5.363 ( 0.849 -1.471 3.886) 4.241 5.553 ( -0.399 0.691 -3.097) 3.198 5.761 ( -0.987 1.709 -2.340) 3.061 5.981 ( 0.656 -1.136 -0.727) 1.500 6.031 ( 5.977 -10.353 2.435) 12.200 6.190 ( 4.651 -8.056 -0.883) 9.344 6.341 ( -1.325 2.294 1.164) 2.894 6.712 ( -1.355 2.347 0.523) 2.760 7.254 ( 0.387 -0.670 -3.464) 3.550 7.372 ( 4.785 -8.287 -2.558) 9.906 7.413 ( 0.314 -0.544 4.626) 4.669 7.617 ( -1.587 2.750 1.424) 3.480 7.734 ( 1.232 -2.133 -3.405) 4.203 8.095 ( -0.745 1.291 4.607) 4.842 8.158 ( -1.544 2.675 -0.695) 3.166 8.490 ( 1.170 -2.027 1.407) 2.731 8.560 ( 0.896 -1.552 -4.317) 4.674 9.107 ( -5.904 10.226 2.148) 12.002 9.135 ( -2.852 4.940 1.090) 5.808 9.237 ( -5.567 9.643 -0.479) 11.145 9.329 ( -0.660 1.144 -1.168) 1.763 10.799 ( 6.121 -10.603 2.764) 12.551 10.811 ( 9.595 -16.619 -2.817) 19.395 11.431 ( -3.118 5.400 2.188) 6.609 11.520 ( -1.152 1.995 -1.871) 2.968 13.620 ( -1.450 2.512 1.753) 3.389 13.701 ( 0.554 -0.960 -1.794) 2.109 14.403 ( -2.712 4.698 -0.795) 5.482 14.444 ( -5.132 8.889 1.170) 10.331 15.166 ( 0.457 -0.791 0.959) 1.325 15.237 ( 0.721 -1.249 -0.313) 1.476 15.711 ( 2.235 -3.872 5.147) 6.818 16.278 ( 2.096 -3.630 -6.528) 7.758 17.409 ( 1.511 -2.617 -1.321) 3.299 17.424 ( 0.641 -1.110 0.498) 1.375 17.632 ( -3.213 5.564 -1.277) 6.551 17.665 ( -2.905 5.032 1.035) 5.901 17.745 ( -0.395 0.684 7.929) 7.968 18.359 ( 1.029 -1.783 -7.504) 7.782 18.872 ( 0.211 -0.365 3.154) 3.182 19.060 ( 0.419 -0.725 -1.474) 1.695 19.126 ( -0.254 0.440 0.799) 0.947 19.136 ( 0.014 -0.024 -0.967) 0.968 20.201 ( 1.152 -1.995 -3.442) 4.142 20.209 ( 0.180 -0.312 -2.018) 2.050 20.385 ( 0.350 -0.607 -0.168) 0.721 20.399 ( -0.426 0.739 0.965) 1.288 20.489 ( -0.195 0.338 4.977) 4.993 20.801 ( 0.804 -1.393 -1.079) 1.936 ======================= Grid point 158 (28/68) ======================= q-point: ( 0.18 0.18 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 13.398 23.207 9.232) 28.343 2.426 ( 17.853 30.921 -1.417) 35.733 2.575 ( 4.071 7.051 -9.280) 12.345 2.742 ( 13.396 23.202 3.986) 27.086 3.948 ( -0.876 -1.517 5.953) 6.206 3.986 ( 5.638 9.765 -4.304) 12.069 4.102 ( 10.434 18.073 0.252) 20.870 4.507 ( -1.049 -1.816 -10.886) 11.086 4.569 ( -6.519 -11.292 7.852) 15.220 4.932 ( -3.389 -5.869 -1.465) 6.934 5.188 ( -2.091 -3.622 7.745) 8.802 5.221 ( 10.371 17.963 9.636) 22.870 5.648 ( 1.284 2.224 -6.511) 6.999 5.689 ( -6.543 -11.333 -0.237) 13.088 5.902 ( 0.246 0.426 2.634) 2.680 5.936 ( -0.060 -0.104 -12.646) 12.646 6.269 ( -0.538 -0.932 -7.950) 8.022 6.279 ( -3.309 -5.732 1.342) 6.753 6.554 ( -4.177 -7.234 6.327) 10.479 6.907 ( 3.709 6.424 0.152) 7.419 7.258 ( -0.644 -1.115 -2.485) 2.799 7.333 ( -2.626 -4.548 5.497) 7.602 7.568 ( 4.051 7.017 -2.425) 8.458 7.637 ( 4.945 8.564 2.485) 10.196 8.582 ( -5.456 -9.450 -0.367) 10.918 8.714 ( -10.291 -17.825 1.376) 20.628 8.766 ( -6.998 -12.121 2.233) 14.173 8.938 ( -4.781 -8.281 -2.526) 9.891 9.081 ( 0.983 1.703 -0.168) 1.974 9.143 ( -0.968 -1.676 0.156) 1.942 9.956 ( -1.257 -2.177 -0.669) 2.601 10.010 ( -1.882 -3.260 -2.297) 4.410 10.126 ( 0.497 0.861 1.294) 1.632 10.163 ( 1.692 2.931 1.357) 3.647 11.299 ( 5.465 9.466 1.023) 10.978 11.402 ( 3.441 5.960 -1.080) 6.966 13.616 ( 2.131 3.690 3.469) 5.494 13.618 ( 0.815 1.412 -2.800) 3.240 14.183 ( 10.038 17.386 0.320) 20.079 14.476 ( 8.480 14.688 -0.661) 16.973 14.779 ( -0.853 -1.478 -1.592) 2.334 14.827 ( -0.885 -1.534 1.600) 2.387 16.205 ( -6.551 -11.347 3.499) 13.562 16.666 ( -3.038 -5.262 -8.950) 10.817 16.994 ( 7.930 13.735 11.523) 19.604 17.284 ( 1.881 3.258 0.935) 3.877 17.362 ( 4.888 8.467 1.439) 9.882 17.528 ( 4.040 6.998 -2.133) 8.357 17.544 ( 4.374 7.577 1.948) 8.963 18.324 ( 0.738 1.279 -18.781) 18.839 18.952 ( -1.981 -3.431 8.980) 9.815 18.975 ( 1.942 3.363 -0.097) 3.885 19.143 ( -1.729 -2.994 1.392) 3.727 19.689 ( -8.037 -13.920 -0.867) 16.096 20.159 ( 0.448 0.775 0.213) 0.920 20.167 ( -0.221 -0.383 -2.777) 2.812 20.344 ( 0.520 0.901 -0.228) 1.065 20.403 ( 0.135 0.234 -0.148) 0.308 20.526 ( -1.952 -3.380 2.257) 4.509 20.913 ( -1.801 -3.120 -1.929) 4.086 ======================= Grid point 159 (29/68) ======================= q-point: ( 0.27 0.18 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 15.296 21.127 5.812) 26.723 2.724 ( 5.618 7.066 -5.107) 10.372 2.986 ( 3.195 34.806 -2.295) 35.028 3.127 ( -2.744 30.952 2.634) 31.185 3.829 ( -1.268 -6.519 1.246) 6.757 4.115 ( 9.870 -6.667 -0.474) 11.921 4.227 ( -10.775 -9.598 1.415) 14.499 4.483 ( 5.305 6.344 -0.727) 8.302 4.640 ( 12.340 -1.331 -4.114) 13.076 4.767 ( -2.904 -5.991 1.850) 6.910 5.158 ( -1.839 6.051 1.822) 6.581 5.432 ( -6.299 -7.757 0.284) 9.996 5.488 ( 7.487 -5.560 9.881) 13.587 5.695 ( 0.118 1.271 -4.137) 4.330 5.945 ( -0.198 0.441 -9.901) 9.913 6.048 ( -4.638 1.107 2.408) 5.342 6.207 ( 3.329 8.792 -2.315) 9.682 6.264 ( 3.447 0.682 -5.984) 6.940 6.404 ( 1.968 -7.399 7.236) 10.534 7.074 ( 5.822 8.675 -1.740) 10.592 7.229 ( 0.234 -3.440 -0.997) 3.589 7.258 ( 0.510 -5.472 4.364) 7.018 7.679 ( 0.522 5.793 -1.245) 5.948 7.814 ( 4.576 6.029 0.720) 7.603 8.279 ( -10.136 -17.874 -0.387) 20.552 8.465 ( -4.224 -7.490 2.547) 8.969 8.518 ( -7.112 -9.492 2.355) 12.093 8.758 ( -6.130 -6.936 -3.749) 9.987 9.120 ( -0.871 6.479 0.412) 6.551 9.181 ( 3.531 2.872 -0.223) 4.557 9.688 ( -21.985 8.920 -1.063) 23.750 9.820 ( -19.068 7.234 0.990) 20.418 10.272 ( 18.647 -14.328 -2.093) 23.609 10.361 ( 17.074 -11.496 2.250) 20.706 11.445 ( 2.186 6.341 0.851) 6.761 11.500 ( 1.842 4.251 -0.698) 4.686 13.642 ( 0.203 2.016 -0.661) 2.131 13.673 ( 1.032 1.153 0.974) 1.828 14.502 ( 2.367 14.928 -0.085) 15.115 14.664 ( -2.084 12.049 0.753) 12.251 14.782 ( 4.403 1.301 -0.021) 4.592 14.945 ( 13.526 2.871 -0.411) 13.834 15.940 ( -8.909 -12.971 4.241) 16.298 16.443 ( -7.806 -12.419 -5.429) 15.641 17.250 ( 6.430 6.499 -0.006) 9.142 17.354 ( 2.444 2.458 0.996) 3.607 17.570 ( 6.700 9.584 5.266) 12.824 17.659 ( 1.929 7.479 -1.248) 7.824 17.692 ( 3.281 6.787 2.229) 7.861 18.326 ( 0.014 -1.271 -11.431) 11.501 18.861 ( -1.816 -3.727 8.507) 9.463 19.035 ( 1.617 1.984 -0.546) 2.617 19.133 ( 0.245 0.304 -2.048) 2.085 19.388 ( -10.017 -11.784 -0.342) 15.470 20.166 ( 0.631 -0.715 -3.392) 3.523 20.179 ( 0.974 0.353 -1.109) 1.518 20.364 ( 0.722 0.691 -0.554) 1.143 20.407 ( -0.004 0.420 0.600) 0.733 20.491 ( -0.254 -0.233 3.400) 3.418 20.835 ( -2.401 -4.190 -0.743) 4.886 ======================= Grid point 160 (30/68) ======================= q-point: ( 0.36 0.18 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 7.850 14.118 3.790) 16.592 2.860 ( 2.847 2.689 -4.158) 5.712 3.237 ( -12.523 32.036 3.070) 34.533 3.267 ( -15.197 29.741 -2.367) 33.482 3.776 ( -3.683 1.228 2.384) 4.556 3.959 ( -3.375 -5.979 -1.392) 7.005 4.288 ( 9.911 -3.579 -0.492) 10.549 4.476 ( -4.416 -9.314 1.576) 10.428 4.617 ( 3.499 3.621 -0.393) 5.051 4.960 ( 6.414 0.987 -0.546) 6.512 5.138 ( 1.228 -10.398 -0.160) 10.472 5.378 ( 2.648 7.500 -0.541) 7.972 5.512 ( 3.962 -10.365 1.724) 11.230 5.726 ( 2.615 1.275 -3.528) 4.573 5.897 ( -1.576 -2.416 -0.171) 2.890 5.958 ( -1.220 -5.613 -1.042) 5.838 6.065 ( -2.463 -10.255 -0.454) 10.557 6.251 ( 3.168 -10.894 3.372) 11.836 6.783 ( 8.258 20.582 0.357) 22.180 7.187 ( 1.985 -4.207 0.170) 4.655 7.225 ( 3.050 -5.145 -3.974) 7.181 7.323 ( 10.453 5.926 2.540) 12.282 7.690 ( -3.022 2.029 1.787) 4.055 7.738 ( -9.521 -13.626 -3.166) 16.922 8.119 ( 1.767 3.329 4.214) 5.654 8.270 ( -8.285 -1.999 0.634) 8.546 8.434 ( 1.605 -2.708 1.520) 3.496 8.599 ( -5.454 -1.960 -5.066) 7.698 9.204 ( 1.158 9.122 0.754) 9.226 9.303 ( 3.978 5.968 -0.208) 7.175 9.426 ( -15.974 8.503 0.409) 18.101 9.565 ( -16.871 7.695 0.131) 18.543 10.404 ( 14.809 -18.728 -2.408) 23.997 10.491 ( 12.500 -14.966 2.503) 19.659 11.512 ( -0.585 4.143 1.178) 4.346 11.553 ( 0.181 2.418 -0.947) 2.603 13.661 ( -0.263 1.708 0.735) 1.878 13.685 ( 0.199 -0.309 -0.615) 0.717 14.562 ( -5.886 10.621 -0.586) 12.157 14.673 ( -7.653 11.778 0.783) 14.068 15.047 ( 13.785 4.993 1.056) 14.699 15.182 ( 6.577 0.988 -0.470) 6.668 15.660 ( -5.601 -12.012 4.456) 13.983 16.208 ( -2.924 -10.696 -4.967) 12.150 17.365 ( 2.498 1.215 -4.271) 5.094 17.407 ( 1.195 0.997 1.382) 2.082 17.730 ( 0.984 4.693 3.864) 6.159 17.744 ( 0.049 7.441 0.577) 7.464 17.776 ( -0.779 4.613 3.050) 5.584 18.312 ( 1.049 -2.786 -6.422) 7.079 18.847 ( 1.914 0.173 4.128) 4.553 19.057 ( -0.990 -1.122 -1.679) 2.249 19.136 ( -0.100 -0.080 -1.281) 1.288 19.147 ( -4.335 -5.152 1.271) 6.852 20.170 ( 0.642 -0.816 -3.902) 4.038 20.195 ( 0.768 -0.548 -1.912) 2.132 20.378 ( 0.235 0.334 -0.557) 0.690 20.411 ( -0.150 0.443 1.093) 1.189 20.502 ( 0.093 1.600 3.596) 3.937 20.761 ( -0.205 -4.544 0.234) 4.555 ======================= Grid point 166 (31/68) ======================= q-point: (-0.09 0.18 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -8.677 15.029 25.262) 30.648 1.415 ( -15.828 27.415 11.347) 33.629 1.635 ( -8.988 15.568 -11.239) 21.201 2.424 ( -31.238 54.105 2.369) 62.520 2.528 ( -5.283 9.150 -15.943) 19.126 2.764 ( -14.417 24.971 4.251) 29.146 4.439 ( 5.222 -9.044 4.344) 11.311 4.769 ( 2.855 -4.945 5.512) 7.936 4.846 ( 0.068 -0.118 -2.241) 2.245 4.993 ( 6.530 -11.311 -4.388) 13.778 5.128 ( 2.006 -3.475 -5.637) 6.919 5.195 ( 2.592 -4.489 8.358) 9.835 5.827 ( 1.162 -2.013 -7.730) 8.072 5.952 ( 0.017 -0.029 -9.013) 9.013 6.036 ( 2.411 -4.176 4.915) 6.886 6.172 ( 2.761 -4.781 6.123) 8.244 6.354 ( 4.442 -7.693 6.792) 11.182 6.555 ( -0.369 0.640 4.036) 4.103 6.562 ( -0.364 0.631 -2.594) 2.694 6.974 ( 8.536 -14.786 -5.149) 17.833 7.255 ( -2.187 3.788 -1.307) 4.565 7.330 ( -0.171 0.296 -0.519) 0.622 7.349 ( -1.344 2.327 6.318) 6.866 7.382 ( -2.989 5.178 0.763) 6.027 8.906 ( 2.339 -4.052 3.006) 5.561 9.036 ( 1.742 -3.018 2.060) 4.048 9.108 ( 3.683 -6.380 -3.553) 8.179 9.180 ( 2.724 -4.717 -0.658) 5.487 9.330 ( 3.522 -6.101 -0.861) 7.097 9.433 ( 4.391 -7.606 0.582) 8.801 9.954 ( 0.302 -0.523 0.716) 0.936 10.046 ( 0.308 -0.534 -1.229) 1.375 10.098 ( -1.243 2.154 2.032) 3.211 10.141 ( 0.162 -0.281 -0.572) 0.657 10.633 ( -13.514 23.407 1.751) 27.084 11.063 ( -5.805 10.054 -8.070) 14.139 13.349 ( -2.146 3.717 1.061) 4.422 13.549 ( -5.519 9.559 2.871) 11.405 13.716 ( -3.463 5.998 -0.119) 6.927 13.751 ( -7.577 13.123 -4.414) 15.784 14.864 ( 1.819 -3.151 -0.526) 3.676 14.970 ( 1.649 -2.857 0.354) 3.317 15.770 ( -18.645 32.294 8.495) 38.245 16.516 ( 0.039 -0.067 -6.167) 6.167 17.107 ( 2.119 -3.670 -0.301) 4.248 17.129 ( -2.037 3.528 1.043) 4.205 17.167 ( -1.801 3.119 2.632) 4.461 17.256 ( -1.781 3.085 -2.253) 4.215 17.308 ( -2.806 4.860 -0.776) 5.666 17.975 ( -10.178 17.629 -48.328) 52.440 18.816 ( -2.326 4.029 0.335) 4.664 18.844 ( -2.335 4.044 -0.806) 4.738 19.666 ( 8.135 -14.091 22.114) 27.454 20.041 ( 4.681 -8.107 -2.811) 9.774 20.167 ( 0.717 -1.242 0.064) 1.436 20.243 ( -0.357 0.619 0.373) 0.806 20.319 ( -0.473 0.819 0.800) 1.238 20.360 ( -0.462 0.800 -0.866) 1.266 20.866 ( 5.258 -9.107 1.043) 10.568 20.926 ( 1.978 -3.427 -4.567) 6.042 ======================= Grid point 170 (32/68) ======================= q-point: ( 0.27 0.27 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( 9.965 17.260 5.358) 20.637 2.840 ( 2.278 3.946 -5.419) 7.080 3.644 ( 13.537 23.446 -2.059) 27.151 3.691 ( 11.668 20.210 2.703) 23.493 3.757 ( 1.380 2.390 0.155) 2.764 3.903 ( -5.863 -10.154 5.599) 12.993 4.149 ( 1.264 2.190 -4.044) 4.769 4.482 ( -5.155 -8.928 0.258) 10.312 4.591 ( 0.801 1.388 -6.742) 6.930 4.787 ( 3.436 5.951 7.159) 9.923 5.141 ( -5.759 -9.975 -2.610) 11.810 5.341 ( -3.334 -5.775 4.229) 7.896 5.415 ( 4.826 8.359 -1.514) 9.770 5.735 ( 0.665 1.152 -3.068) 3.344 5.902 ( -6.400 -11.086 -2.845) 13.113 5.942 ( -0.666 -1.154 -5.021) 5.194 6.085 ( -6.779 -11.741 7.295) 15.396 6.102 ( -3.817 -6.611 0.117) 7.634 6.815 ( 13.863 24.011 2.243) 27.816 7.143 ( -1.749 -3.029 0.908) 3.613 7.172 ( -0.646 -1.119 -4.987) 5.151 7.251 ( 3.525 6.106 1.727) 7.259 7.734 ( -0.271 -0.470 1.713) 1.797 7.753 ( -7.994 -13.845 -2.376) 16.163 8.114 ( 2.449 4.241 3.344) 5.930 8.363 ( -2.134 -3.696 2.043) 4.731 8.382 ( -2.197 -3.805 1.379) 4.605 8.648 ( -2.222 -3.848 -5.470) 7.047 9.255 ( 3.544 6.138 1.057) 7.166 9.283 ( 4.374 7.575 -0.598) 8.768 9.800 ( -3.197 -5.538 -0.641) 6.427 9.820 ( -1.617 -2.801 -0.481) 3.270 10.059 ( -3.170 -5.491 0.133) 6.342 10.170 ( -2.167 -3.754 1.414) 4.559 11.539 ( 1.703 2.950 0.503) 3.444 11.563 ( 1.117 1.934 -0.238) 2.246 13.666 ( 0.436 0.756 -0.950) 1.290 13.687 ( 0.019 0.032 1.070) 1.071 14.768 ( 2.611 4.522 -0.564) 5.252 14.834 ( 3.801 6.584 0.869) 7.652 14.881 ( 6.280 10.878 0.698) 12.580 15.070 ( 5.367 9.296 -0.245) 10.737 15.651 ( -8.531 -14.775 4.097) 17.546 16.177 ( -7.104 -12.304 -4.267) 14.834 17.349 ( 1.901 3.293 -5.415) 6.617 17.401 ( 1.123 1.946 2.101) 3.076 17.735 ( 3.305 5.725 6.069) 8.974 17.793 ( 3.000 5.195 -1.022) 6.085 17.812 ( 2.612 4.525 1.789) 5.523 18.285 ( -1.327 -2.298 -5.990) 6.552 18.828 ( 0.541 0.937 4.707) 4.830 19.062 ( -0.359 -0.623 -1.623) 1.775 19.136 ( -0.067 -0.116 -1.509) 1.515 19.162 ( -4.925 -8.531 1.497) 9.964 20.161 ( 0.080 0.139 -3.744) 3.747 20.182 ( -0.049 -0.084 -2.429) 2.431 20.379 ( 0.406 0.703 -0.958) 1.255 20.414 ( 0.130 0.226 1.131) 1.161 20.511 ( 1.224 2.121 3.366) 4.163 20.735 ( -2.986 -5.172 0.806) 6.026 ======================= Grid point 171 (33/68) ======================= q-point: ( 0.36 0.27 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.879 ( -0.044 0.076 -5.634) 5.635 2.953 ( -2.852 4.940 6.136) 8.378 3.706 ( -4.615 7.994 2.175) 9.483 3.746 ( -4.588 7.947 1.434) 9.288 3.926 ( -3.930 6.807 0.342) 7.868 3.984 ( -11.044 19.129 -2.900) 22.278 4.278 ( -0.791 1.370 -1.154) 1.958 4.324 ( 1.571 -2.722 2.239) 3.859 4.629 ( 1.842 -3.190 -1.635) 4.030 4.803 ( 8.735 -15.129 0.774) 17.487 5.060 ( -2.430 4.208 -1.491) 5.083 5.264 ( 6.149 -10.650 2.826) 12.618 5.559 ( -4.274 7.402 -3.182) 9.121 5.728 ( 4.297 -7.443 -1.593) 8.741 5.731 ( 1.528 -2.647 -6.721) 7.383 5.898 ( -0.929 1.609 2.990) 3.520 5.975 ( 1.143 -1.979 0.537) 2.348 6.026 ( 5.049 -8.746 4.204) 10.938 7.055 ( -1.884 3.264 6.165) 7.226 7.102 ( 1.601 -2.773 2.546) 4.091 7.218 ( -4.091 7.085 -7.555) 11.136 7.408 ( 1.305 -2.259 0.180) 2.615 7.473 ( 3.533 -6.120 -4.953) 8.630 7.711 ( -0.131 0.227 4.433) 4.441 8.222 ( -1.796 3.111 6.093) 7.073 8.272 ( -1.568 2.715 -1.139) 3.336 8.364 ( 2.400 -4.156 1.422) 5.005 8.606 ( -0.709 1.229 -7.091) 7.232 9.359 ( -2.765 4.789 -0.096) 5.531 9.392 ( -1.284 2.225 0.267) 2.583 9.640 ( -7.226 12.515 0.207) 14.452 9.770 ( -6.724 11.647 0.444) 13.456 10.013 ( 10.203 -17.672 -1.181) 20.441 10.162 ( 8.975 -15.545 1.677) 18.028 11.569 ( -0.894 1.548 0.507) 1.858 11.582 ( -0.264 0.458 -0.201) 0.566 13.678 ( 0.032 -0.055 -0.411) 0.416 13.681 ( -0.094 0.162 0.444) 0.482 14.796 ( -5.979 10.356 -0.067) 11.958 14.875 ( -3.095 5.361 0.100) 6.191 15.133 ( -1.067 1.848 0.480) 2.187 15.169 ( 0.100 -0.173 0.421) 0.466 15.430 ( 5.108 -8.848 4.152) 11.028 16.025 ( 3.269 -5.663 -4.119) 7.728 17.383 ( -0.285 0.493 -6.986) 7.010 17.423 ( -0.245 0.424 2.823) 2.865 17.793 ( -0.846 1.465 6.002) 6.236 17.853 ( -1.663 2.881 -0.080) 3.327 17.859 ( -1.535 2.659 0.045) 3.071 18.257 ( 1.126 -1.951 -3.399) 4.078 18.873 ( -1.144 1.981 2.552) 3.427 18.980 ( 2.422 -4.196 0.412) 4.862 19.116 ( -0.225 0.390 0.098) 0.460 19.131 ( 0.244 -0.422 -0.985) 1.099 20.165 ( -0.121 0.210 -3.848) 3.856 20.180 ( 0.440 -0.762 -2.939) 3.067 20.387 ( -0.206 0.357 -1.120) 1.193 20.416 ( -0.064 0.110 1.259) 1.265 20.551 ( -1.757 3.043 3.010) 4.627 20.662 ( 2.596 -4.496 1.754) 5.480 ======================= Grid point 177 (34/68) ======================= q-point: (-0.18 0.27 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -15.126 18.119 16.299) 28.684 1.911 ( -7.676 29.018 3.267) 30.193 2.058 ( -14.625 20.285 -5.106) 25.524 2.546 ( -0.909 2.866 -9.985) 10.427 3.472 ( -26.531 24.585 2.197) 36.237 3.571 ( -40.394 36.023 0.293) 54.124 4.266 ( 5.159 -5.433 5.880) 9.524 4.573 ( 7.394 -13.199 -3.854) 15.612 4.779 ( 6.158 -2.555 2.059) 6.978 4.845 ( 0.439 0.547 -4.265) 4.322 5.061 ( 3.091 -3.925 1.526) 5.224 5.133 ( 0.619 -4.153 6.622) 7.841 5.763 ( 3.532 -0.236 -4.781) 5.948 5.923 ( 3.035 -6.179 -0.358) 6.893 5.980 ( -1.222 3.693 -9.294) 10.075 6.055 ( 11.882 -4.785 0.836) 12.836 6.168 ( 1.468 -5.741 4.111) 7.212 6.538 ( 2.509 -3.232 -1.493) 4.355 6.582 ( -1.599 -0.613 2.104) 2.713 6.770 ( 2.020 -5.097 -0.332) 5.493 7.298 ( 0.273 -2.497 -1.002) 2.704 7.372 ( -2.072 5.649 0.881) 6.081 7.406 ( -3.869 1.980 2.270) 4.903 7.512 ( -4.325 6.497 1.327) 7.917 8.793 ( 3.549 -7.465 3.228) 8.873 8.915 ( 7.622 -9.276 -1.766) 12.135 8.993 ( 3.790 1.833 0.479) 4.237 9.101 ( 2.388 -2.247 -0.289) 3.292 9.179 ( 3.679 -13.337 -1.272) 13.893 9.213 ( 4.624 -16.895 0.217) 17.518 9.756 ( 19.566 12.172 -1.389) 23.085 9.864 ( 23.013 11.662 1.291) 25.831 10.247 ( -19.470 -8.990 -0.781) 21.460 10.384 ( -20.933 -9.785 1.072) 23.132 11.028 ( -7.575 16.280 1.718) 18.039 11.241 ( -4.548 7.672 -3.208) 9.478 13.439 ( -3.183 3.688 0.380) 4.886 13.676 ( -2.213 1.893 0.183) 2.918 13.937 ( -8.915 15.569 3.480) 18.275 14.078 ( -12.439 12.618 -3.846) 18.131 14.807 ( 0.254 -3.205 -1.160) 3.417 14.892 ( 3.576 -2.533 0.666) 4.433 16.411 ( -1.179 2.250 2.476) 3.547 16.421 ( -10.699 12.022 3.108) 16.391 17.021 ( 1.639 -1.013 6.532) 6.811 17.222 ( -3.572 4.206 1.593) 5.744 17.261 ( -3.413 4.802 1.515) 6.083 17.340 ( -4.327 2.998 -2.698) 5.915 17.426 ( -3.726 6.406 -0.273) 7.416 18.204 ( -4.821 4.051 -31.258) 31.886 18.909 ( -3.152 3.722 0.472) 4.900 18.918 ( -2.121 1.582 1.076) 2.856 19.397 ( 8.974 -7.599 16.037) 19.886 19.819 ( 8.634 -12.071 -5.191) 15.722 20.155 ( -0.175 0.147 -0.000) 0.228 20.254 ( -0.050 1.060 0.298) 1.103 20.340 ( -0.801 1.130 0.867) 1.634 20.372 ( -0.268 0.099 -1.027) 1.066 20.687 ( 5.736 -5.225 3.476) 8.502 20.870 ( 0.716 -3.688 -6.444) 7.459 ======================= Grid point 189 (35/68) ======================= q-point: (-0.27 0.36 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -18.521 17.847 9.447) 27.401 2.291 ( -3.028 26.453 0.291) 26.628 2.449 ( -3.788 20.335 -4.059) 21.079 2.687 ( -5.451 13.856 -3.580) 15.314 3.945 ( -6.383 -2.197 1.151) 6.848 4.226 ( -5.292 0.629 0.181) 5.332 4.279 ( 2.876 -8.843 -4.489) 10.326 4.431 ( -13.664 3.424 5.183) 15.010 4.787 ( -7.983 0.447 -3.663) 8.795 4.952 ( -8.833 7.512 4.548) 12.455 4.965 ( -1.659 8.036 -1.778) 8.396 5.080 ( 0.232 -1.035 8.261) 8.329 5.660 ( 9.914 -1.596 -7.260) 12.392 5.769 ( 6.016 -10.425 0.376) 12.042 5.852 ( 2.192 0.604 0.318) 2.296 6.069 ( -2.224 6.547 -5.614) 8.907 6.115 ( 1.323 -1.089 2.074) 2.690 6.447 ( 2.092 -5.110 -5.983) 8.141 6.595 ( -1.476 -1.673 6.395) 6.773 6.760 ( -4.114 -0.646 -1.687) 4.493 7.269 ( -1.175 -3.240 0.314) 3.461 7.429 ( -2.724 -0.921 2.325) 3.697 7.549 ( -4.777 7.726 -0.523) 9.098 7.655 ( -3.114 7.575 0.831) 8.232 8.602 ( 9.869 -10.144 0.511) 14.162 8.685 ( 3.897 -11.484 2.380) 12.359 8.825 ( 11.777 -21.385 0.222) 24.414 8.903 ( 6.815 -5.937 -2.328) 9.333 9.018 ( 3.616 -0.383 1.657) 3.996 9.108 ( 0.577 1.562 -2.304) 2.843 9.557 ( 15.747 8.754 -0.859) 18.037 9.577 ( 20.949 10.981 1.094) 23.678 10.490 ( -17.432 -8.512 -0.691) 19.412 10.641 ( -18.924 -9.854 1.100) 21.364 11.247 ( -2.208 10.992 0.926) 11.250 11.389 ( -3.917 6.291 -1.432) 7.547 13.525 ( -2.208 3.417 0.304) 4.080 13.711 ( -0.728 0.831 -0.192) 1.121 14.260 ( -7.514 13.858 2.106) 15.904 14.369 ( -4.864 9.926 -0.936) 11.093 14.815 ( -1.237 -0.042 0.957) 1.564 14.861 ( -7.400 0.305 -2.262) 7.744 16.189 ( 9.683 -9.078 4.741) 14.095 16.583 ( 4.221 -6.951 -8.266) 11.596 17.218 ( -11.815 14.781 14.778) 24.009 17.327 ( -4.096 2.514 1.393) 5.004 17.375 ( -3.605 5.133 0.323) 6.281 17.468 ( -5.550 3.868 -2.949) 7.380 17.562 ( -3.334 7.503 1.398) 8.328 18.284 ( -2.733 0.542 -19.823) 20.018 18.920 ( 1.291 -2.689 6.782) 7.410 19.000 ( -2.828 2.718 0.448) 3.948 19.216 ( 5.091 -2.360 5.564) 7.903 19.510 ( 10.879 -13.069 -5.729) 17.943 20.176 ( -1.117 1.177 -1.227) 2.034 20.268 ( 0.007 1.613 0.054) 1.614 20.369 ( -0.826 0.841 0.659) 1.351 20.374 ( -0.249 0.208 -0.572) 0.658 20.567 ( 3.696 -2.078 5.758) 7.151 20.817 ( 0.504 -4.502 -5.826) 7.380 ======================= Grid point 190 (36/68) ======================= q-point: (-0.18 0.36 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -12.643 21.899 10.076) 27.221 2.446 ( -10.075 17.450 -3.421) 20.438 2.536 ( -15.251 26.416 -5.401) 30.977 2.747 ( -10.701 18.535 1.270) 21.439 3.828 ( -5.676 9.832 1.455) 11.445 4.185 ( 0.312 -0.541 1.824) 1.928 4.214 ( -9.490 16.437 4.937) 19.611 4.270 ( 6.713 -11.628 -7.139) 15.206 4.777 ( -4.714 8.165 -2.828) 9.844 4.919 ( 4.840 -8.384 -1.713) 9.831 4.996 ( -6.063 10.501 0.170) 12.127 5.070 ( 1.377 -2.385 11.843) 12.159 5.722 ( 2.551 -4.419 -6.429) 8.208 5.843 ( 8.089 -14.010 5.317) 17.029 5.854 ( -0.429 0.743 -0.585) 1.038 6.085 ( -2.891 5.008 -4.942) 7.607 6.095 ( 0.975 -1.689 -5.392) 5.734 6.444 ( 3.342 -5.789 -4.751) 8.201 6.562 ( 0.055 -0.095 7.113) 7.114 6.722 ( -0.157 0.271 -1.117) 1.160 7.239 ( 1.517 -2.627 -0.551) 3.083 7.397 ( 0.305 -0.527 3.639) 3.689 7.551 ( -5.320 9.215 -1.820) 10.795 7.665 ( -4.377 7.581 2.153) 9.014 8.636 ( 4.512 -7.815 3.493) 9.677 8.662 ( 8.140 -14.100 -2.900) 16.537 8.800 ( 11.335 -19.634 4.100) 23.039 8.936 ( 5.832 -10.102 -3.025) 12.051 9.073 ( -1.862 3.225 -0.197) 3.729 9.092 ( 0.164 -0.285 -1.310) 1.351 9.970 ( 0.691 -1.196 -0.445) 1.451 10.003 ( 1.603 -2.777 -1.888) 3.721 10.150 ( -0.646 1.119 0.773) 1.506 10.165 ( -0.761 1.317 2.004) 2.516 11.293 ( -5.559 9.628 1.016) 11.164 11.385 ( -3.609 6.251 -1.569) 7.386 13.526 ( -2.488 4.309 -0.723) 5.028 13.704 ( -0.539 0.933 1.325) 1.708 14.273 ( -9.647 16.709 4.409) 19.791 14.388 ( -9.456 16.378 -4.697) 19.486 14.755 ( 0.693 -1.200 -1.625) 2.135 14.833 ( 1.542 -2.671 1.204) 3.311 16.229 ( 6.475 -11.216 4.661) 13.764 16.580 ( 3.043 -5.271 -7.800) 9.893 17.188 ( -9.503 16.459 15.463) 24.501 17.301 ( -1.743 3.020 1.406) 3.760 17.371 ( -3.305 5.724 0.229) 6.614 17.438 ( -3.919 6.788 -2.819) 8.330 17.574 ( -4.453 7.712 1.053) 8.967 18.261 ( -1.025 1.775 -21.385) 21.483 18.915 ( 1.226 -2.123 5.928) 6.415 18.988 ( -2.081 3.605 0.506) 4.193 19.255 ( 3.234 -5.602 7.728) 10.077 19.539 ( 8.527 -14.768 -6.585) 18.280 20.172 ( -0.905 1.568 -1.158) 2.149 20.275 ( -0.622 1.078 1.137) 1.686 20.366 ( -0.782 1.355 1.036) 1.877 20.373 ( 0.025 -0.043 -1.412) 1.412 20.592 ( 2.320 -4.018 5.912) 7.515 20.795 ( 2.181 -3.778 -6.907) 8.169 ======================= Grid point 201 (37/68) ======================= q-point: (-0.36 0.45 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -13.230 15.867 4.483) 21.139 2.537 ( 3.746 22.879 -0.448) 23.188 2.638 ( 2.204 17.234 -2.190) 17.512 2.943 ( -3.386 15.946 -1.372) 16.359 3.819 ( 8.184 -6.683 2.148) 10.782 4.055 ( 4.656 -7.277 -3.460) 9.306 4.411 ( -5.455 -1.332 3.279) 6.502 4.489 ( 1.055 -3.187 -0.938) 3.486 4.743 ( -2.993 -4.640 1.331) 5.680 4.961 ( 1.609 -2.370 -1.426) 3.200 5.262 ( -6.263 11.334 4.900) 13.845 5.372 ( -0.600 1.456 4.261) 4.543 5.576 ( -9.234 -10.512 -2.274) 14.176 5.623 ( -6.627 2.121 -6.891) 9.793 5.815 ( 4.209 1.182 -1.009) 4.487 6.075 ( 1.965 -2.199 -0.500) 2.991 6.205 ( -4.773 4.154 0.311) 6.335 6.354 ( 1.784 -6.178 -3.541) 7.341 6.666 ( -6.420 7.280 9.204) 13.376 6.921 ( -11.736 2.302 -8.148) 14.472 7.289 ( -4.403 -1.565 1.025) 4.784 7.463 ( -3.885 -3.642 1.884) 5.649 7.680 ( 0.376 5.184 1.356) 5.372 7.750 ( 0.109 5.603 -1.596) 5.827 8.289 ( 11.795 -9.727 2.461) 15.485 8.369 ( 13.901 -16.614 -0.951) 21.683 8.527 ( 3.806 -8.228 1.246) 9.151 8.700 ( 6.363 -5.363 -3.208) 8.919 9.020 ( 1.479 8.178 2.321) 8.628 9.152 ( -0.514 6.257 -1.659) 6.493 9.325 ( 15.645 5.991 2.575) 16.950 9.406 ( 10.164 3.761 -2.068) 11.033 10.670 ( -13.022 -9.922 -0.509) 16.379 10.833 ( -14.592 -11.661 1.049) 18.708 11.354 ( 0.762 7.945 0.642) 8.007 11.497 ( -1.866 4.263 -0.949) 4.749 13.582 ( -0.600 2.720 0.588) 2.847 13.724 ( -0.310 0.092 -0.488) 0.585 14.393 ( 3.282 7.960 -0.886) 8.655 14.453 ( 3.347 6.136 1.460) 7.140 14.962 ( -11.649 5.869 2.423) 13.267 15.100 ( -12.381 3.781 -2.588) 13.201 15.907 ( 10.256 -9.529 5.762) 15.139 16.368 ( 6.737 -10.607 -7.741) 14.759 17.400 ( -3.760 -0.778 0.693) 3.902 17.473 ( -2.555 4.267 0.413) 4.991 17.523 ( -4.694 10.099 6.500) 12.895 17.584 ( -1.635 4.867 -2.440) 5.684 17.696 ( -3.558 6.318 5.368) 9.021 18.334 ( -2.780 -0.298 -12.224) 12.540 18.850 ( 1.229 -3.388 6.582) 7.504 19.060 ( -1.420 1.131 0.245) 1.832 19.156 ( 1.409 -0.032 0.117) 1.414 19.202 ( 8.966 -10.393 -4.184) 14.349 20.205 ( -0.525 1.260 -3.310) 3.581 20.286 ( 0.313 2.164 -0.111) 2.190 20.370 ( -0.167 -0.426 -0.127) 0.475 20.402 ( -0.849 1.373 0.461) 1.679 20.508 ( 1.520 -0.791 7.323) 7.521 20.764 ( -0.289 -5.014 -4.400) 6.678 ======================= Grid point 202 (38/68) ======================= q-point: (-0.27 0.45 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -13.906 17.759 4.686) 23.037 2.730 ( -6.756 13.101 -3.904) 15.248 2.969 ( 2.894 33.677 -1.880) 33.854 3.189 ( -5.469 30.077 2.691) 30.688 3.851 ( 3.653 -5.266 3.279) 7.199 4.001 ( 1.452 -12.627 -3.109) 13.085 4.278 ( -3.806 2.145 -1.847) 4.744 4.425 ( -11.959 -1.239 2.148) 12.213 4.659 ( 9.037 -9.643 -2.083) 13.379 4.976 ( 1.444 -3.781 2.566) 4.792 5.161 ( -15.309 5.518 0.858) 16.295 5.264 ( -7.507 12.859 5.496) 15.872 5.533 ( 11.385 -9.757 3.770) 15.461 5.641 ( 1.856 -1.482 -6.882) 7.280 5.864 ( 1.048 -1.749 -5.292) 5.671 6.079 ( 1.159 -1.305 -2.810) 3.308 6.151 ( -2.187 -0.884 0.660) 2.449 6.311 ( 3.271 -8.811 -2.704) 9.780 6.633 ( -5.632 7.758 10.928) 14.537 6.804 ( -6.016 5.265 -8.513) 11.678 7.215 ( -1.710 -1.281 -0.212) 2.147 7.381 ( -0.890 -2.718 3.082) 4.204 7.733 ( -2.988 8.845 -1.289) 9.425 7.782 ( -1.632 3.352 1.269) 3.938 8.361 ( 10.712 -14.636 3.456) 18.464 8.392 ( 7.913 -14.491 -1.784) 16.607 8.511 ( 3.729 -7.276 3.001) 8.709 8.749 ( 5.355 -6.376 -4.007) 9.240 9.103 ( 0.079 5.172 0.204) 5.176 9.165 ( -3.308 4.333 -0.692) 5.495 9.745 ( 19.362 8.518 -1.298) 21.193 9.779 ( 21.998 7.893 1.586) 23.425 10.274 ( -16.571 -11.371 -1.733) 20.172 10.378 ( -19.433 -14.740 2.305) 24.499 11.432 ( -1.070 6.875 0.436) 6.971 11.497 ( -2.904 4.123 -0.647) 5.084 13.600 ( -1.230 3.369 -0.667) 3.648 13.714 ( -0.327 -0.374 0.977) 1.096 14.570 ( -1.209 15.754 1.936) 15.919 14.607 ( 4.557 13.003 -0.881) 13.806 14.821 ( -7.692 0.745 1.863) 7.949 14.884 ( -14.044 2.258 -2.900) 14.517 15.967 ( 8.962 -12.480 5.678) 16.380 16.371 ( 7.369 -12.868 -7.367) 16.558 17.345 ( -1.695 -0.021 -0.313) 1.723 17.474 ( -3.321 5.864 -0.049) 6.739 17.521 ( -7.307 11.554 10.469) 17.219 17.598 ( -4.481 8.441 -1.463) 9.668 17.724 ( -2.877 7.928 2.520) 8.803 18.287 ( -1.436 -0.407 -13.916) 13.996 18.839 ( 2.308 -4.696 7.845) 9.430 19.049 ( -1.345 1.727 0.171) 2.196 19.180 ( 1.638 -1.242 1.206) 2.383 19.240 ( 8.438 -12.595 -5.725) 16.206 20.214 ( -1.025 2.655 -3.001) 4.136 20.301 ( -0.692 1.676 1.421) 2.304 20.369 ( 0.284 0.015 -0.998) 1.037 20.396 ( -1.176 1.091 0.933) 1.856 20.523 ( 1.824 -2.228 7.226) 7.779 20.714 ( 1.395 -5.622 -5.823) 8.213 ======================= Grid point 211 (39/68) ======================= q-point: (-0.45 0.55 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 12.409 21.494 0.909) 24.835 2.675 ( 10.300 17.841 -1.690) 20.670 2.739 ( 0.195 0.338 0.109) 0.405 3.059 ( 4.530 7.847 0.401) 9.070 3.687 ( 1.089 1.885 2.600) 3.391 3.957 ( -0.430 -0.745 -3.659) 3.759 4.435 ( -2.415 -4.182 2.423) 5.403 4.474 ( -1.601 -2.772 3.482) 4.730 4.724 ( -0.052 -0.091 1.367) 1.371 4.965 ( -1.045 -1.810 -7.495) 7.781 5.292 ( 0.495 0.858 4.400) 4.510 5.460 ( 0.689 1.193 6.702) 6.842 5.502 ( -1.918 -3.322 -5.466) 6.678 5.731 ( -0.012 -0.021 -4.515) 4.515 5.903 ( -4.358 -7.549 -1.069) 8.782 5.976 ( -1.703 -2.950 0.424) 3.432 6.278 ( -1.574 -2.727 2.874) 4.263 6.282 ( -2.783 -4.820 -2.249) 6.003 6.856 ( 3.003 5.201 7.207) 9.381 7.068 ( -3.402 -5.893 -8.913) 11.213 7.378 ( -1.533 -2.656 -0.703) 3.146 7.494 ( -2.530 -4.381 2.615) 5.695 7.611 ( 0.098 0.171 1.025) 1.044 7.782 ( 3.220 5.578 -2.882) 7.056 8.035 ( -2.004 -3.471 3.328) 5.210 8.199 ( 2.688 4.656 1.172) 5.502 8.432 ( -2.316 -4.012 -1.265) 4.802 8.614 ( -0.347 -0.600 -1.982) 2.099 9.098 ( 6.217 10.768 2.032) 12.598 9.166 ( 2.833 4.907 2.736) 6.293 9.222 ( 5.422 9.391 -1.256) 10.917 9.304 ( 0.327 0.566 -2.193) 2.288 10.736 ( -7.392 -12.804 -0.412) 14.791 10.905 ( -8.610 -14.914 1.025) 17.251 11.388 ( 3.424 5.930 0.600) 6.874 11.536 ( 1.231 2.132 -0.888) 2.616 13.601 ( 1.051 1.821 0.789) 2.246 13.727 ( -0.180 -0.312 -0.672) 0.763 14.398 ( 4.330 7.500 -0.859) 8.703 14.442 ( 3.582 6.205 1.101) 7.249 15.170 ( -0.349 -0.605 1.125) 1.324 15.235 ( -0.773 -1.340 -0.481) 1.620 15.728 ( -1.748 -3.027 6.230) 7.143 16.229 ( -3.299 -5.715 -8.112) 10.457 17.431 ( -1.826 -3.163 0.325) 3.666 17.519 ( 0.621 1.076 -1.636) 2.054 17.615 ( 3.393 5.877 3.639) 7.700 17.621 ( 3.125 5.412 -1.019) 6.332 17.771 ( 1.091 1.889 7.707) 8.010 18.361 ( -1.024 -1.774 -8.255) 8.505 18.835 ( -1.206 -2.089 1.889) 3.064 19.025 ( -2.366 -4.097 -1.357) 4.922 19.093 ( 0.474 0.821 -0.420) 1.036 19.145 ( 0.207 0.359 -0.305) 0.515 20.216 ( 0.506 0.876 -4.253) 4.371 20.295 ( 1.212 2.099 -0.180) 2.430 20.369 ( -0.236 -0.409 0.007) 0.473 20.419 ( 0.449 0.777 0.143) 0.909 20.491 ( -0.134 -0.232 7.996) 8.001 20.738 ( -2.486 -4.306 -3.599) 6.138 ======================= Grid point 213 (40/68) ======================= q-point: (-0.36 0.55 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( -8.306 7.821 0.061) 11.408 2.931 ( -0.734 10.185 -0.735) 10.238 3.149 ( 14.700 33.476 -0.345) 36.563 3.394 ( 13.478 24.145 2.140) 27.734 3.768 ( 1.950 5.019 1.357) 5.553 3.940 ( -0.306 -3.571 -0.988) 3.718 4.326 ( -3.138 -7.981 -1.352) 8.682 4.401 ( -0.090 -3.084 1.536) 3.447 4.734 ( -6.464 2.840 1.884) 7.307 4.879 ( -0.834 -5.357 -1.198) 5.552 5.302 ( 3.388 -6.093 5.617) 8.953 5.336 ( -8.040 -13.039 -5.223) 16.184 5.475 ( -2.902 7.786 2.928) 8.810 5.664 ( -2.587 1.035 -7.211) 7.731 5.836 ( -2.535 0.315 -0.436) 2.592 5.978 ( 6.225 -4.487 0.819) 7.717 6.114 ( -2.773 -13.059 -3.600) 13.827 6.204 ( -1.567 -6.321 4.937) 8.172 6.878 ( -7.026 8.616 5.855) 12.565 6.956 ( -4.679 0.274 -7.398) 8.758 7.301 ( -5.971 3.332 -2.137) 7.163 7.402 ( -4.140 -0.586 3.051) 5.176 7.662 ( 7.937 -6.068 0.360) 9.998 7.872 ( 0.329 4.698 -2.313) 5.247 8.029 ( 7.035 -9.603 6.140) 13.395 8.275 ( 0.370 1.971 -0.785) 2.154 8.388 ( 2.832 -5.249 0.087) 5.965 8.632 ( 2.933 -1.192 -3.309) 4.579 9.205 ( -2.900 9.685 1.101) 10.170 9.280 ( -2.709 5.564 -1.028) 6.273 9.474 ( 18.538 8.992 2.390) 20.742 9.526 ( 15.172 7.649 -1.662) 17.072 10.401 ( -12.767 -15.495 -1.876) 20.165 10.516 ( -14.795 -18.501 2.437) 23.814 11.487 ( 1.367 4.949 0.241) 5.140 11.563 ( -0.717 2.079 -0.342) 2.226 13.636 ( 0.279 2.223 -0.086) 2.242 13.713 ( -0.413 -1.003 0.263) 1.116 14.613 ( 6.930 12.187 -1.207) 14.071 14.622 ( 6.806 10.614 1.411) 12.687 15.072 ( -11.789 4.617 2.201) 12.851 15.158 ( -8.966 1.661 -1.622) 9.262 15.693 ( 5.771 -11.088 6.389) 14.038 16.129 ( 2.821 -12.138 -7.769) 14.685 17.364 ( -1.841 -2.293 -1.274) 3.204 17.550 ( -0.186 3.475 -2.790) 4.461 17.697 ( -1.502 6.175 9.121) 11.117 17.735 ( 0.193 8.654 0.007) 8.656 17.819 ( 0.442 5.802 3.460) 6.770 18.303 ( -2.183 -3.005 -7.950) 8.775 18.787 ( -1.200 -2.324 2.989) 3.972 18.977 ( 3.822 -8.428 -3.397) 9.858 19.107 ( 0.044 0.828 -0.085) 0.833 19.154 ( 0.663 -0.186 -0.161) 0.707 20.249 ( 0.720 3.170 -4.842) 5.832 20.329 ( 0.117 2.031 1.701) 2.652 20.366 ( 0.020 0.073 -0.745) 0.749 20.426 ( -0.734 0.870 0.588) 1.281 20.482 ( 0.361 -1.674 7.833) 8.018 20.643 ( -1.194 -6.662 -4.310) 8.024 ======================= Grid point 214 (41/68) ======================= q-point: (-0.27 0.55 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( -6.673 11.558 -0.132) 13.346 2.963 ( -5.271 9.130 0.177) 10.544 3.619 ( -13.899 24.075 -0.650) 27.806 3.716 ( -8.128 14.078 1.013) 16.287 3.765 ( 3.244 -5.618 -1.534) 6.667 3.840 ( -4.890 8.470 5.376) 11.160 4.331 ( -0.229 0.396 5.142) 5.162 4.362 ( 5.396 -9.346 -8.041) 13.459 4.549 ( -4.303 7.453 -2.752) 9.036 4.887 ( 3.232 -5.597 6.913) 9.464 5.147 ( 2.533 -4.388 -5.046) 7.151 5.297 ( 6.287 -10.890 4.813) 13.464 5.502 ( -4.884 8.460 2.036) 9.979 5.666 ( -1.211 2.097 -7.195) 7.592 5.798 ( 1.276 -2.210 -3.006) 3.944 6.005 ( 7.249 -12.556 -4.381) 15.146 6.042 ( 1.971 -3.414 1.545) 4.234 6.133 ( 3.468 -6.007 5.320) 8.742 6.850 ( -5.537 9.590 5.176) 12.223 6.917 ( -2.083 3.609 -5.966) 7.277 7.264 ( -3.883 6.725 -2.091) 8.042 7.359 ( -1.009 1.748 2.645) 3.327 7.711 ( 4.826 -8.359 0.337) 9.657 7.895 ( -1.994 3.453 -1.302) 4.195 8.046 ( 5.956 -10.316 7.298) 13.969 8.279 ( 0.251 -0.434 -3.517) 3.552 8.394 ( 2.695 -4.667 2.124) 5.793 8.658 ( 1.472 -2.549 -4.355) 5.256 9.229 ( -4.482 7.764 0.257) 8.969 9.283 ( -3.853 6.673 -0.321) 7.712 9.827 ( 2.560 -4.435 0.063) 5.121 9.837 ( 1.851 -3.206 -0.304) 3.714 10.106 ( 2.731 -4.730 -1.341) 5.624 10.117 ( 3.002 -5.199 2.794) 6.622 11.531 ( -1.696 2.937 0.275) 3.402 11.560 ( -1.234 2.138 -0.239) 2.480 13.651 ( -0.936 1.620 -0.581) 1.959 13.702 ( 0.419 -0.726 0.697) 1.090 14.814 ( -2.251 3.898 -1.412) 4.718 14.816 ( -1.858 3.218 1.578) 4.037 14.913 ( -7.762 13.444 3.489) 15.911 15.013 ( -6.523 11.298 -2.840) 13.351 15.690 ( 8.061 -13.962 6.299) 17.308 16.091 ( 7.715 -13.363 -7.426) 17.125 17.334 ( 0.413 -0.715 -1.808) 1.988 17.568 ( -1.962 3.398 -3.079) 4.988 17.710 ( -3.611 6.255 11.269) 13.385 17.781 ( -4.961 8.592 -0.144) 9.922 17.868 ( -3.164 5.480 2.223) 6.707 18.259 ( 1.412 -2.445 -8.339) 8.804 18.762 ( 1.113 -1.928 4.117) 4.680 18.971 ( 5.484 -9.498 -4.500) 11.855 19.112 ( -0.409 0.708 -0.008) 0.817 19.160 ( 0.463 -0.801 -0.074) 0.928 20.282 ( -2.163 3.746 -4.899) 6.536 20.339 ( -1.156 2.003 1.887) 2.985 20.370 ( 0.012 -0.021 -1.148) 1.148 20.416 ( -0.544 0.943 1.269) 1.672 20.476 ( 1.300 -2.252 7.717) 8.143 20.592 ( 3.444 -5.965 -4.618) 8.292 ======================= Grid point 225 (42/68) ======================= q-point: (-0.36 0.64 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 0.792 1.372 -2.897) 3.302 3.063 ( 1.754 3.038 3.029) 4.634 3.687 ( 4.335 7.509 1.531) 8.804 3.737 ( 7.699 13.335 0.892) 15.423 3.927 ( 5.401 9.355 0.154) 10.804 4.138 ( 7.754 13.430 4.679) 16.198 4.171 ( 1.115 1.931 -5.752) 6.169 4.339 ( -2.198 -3.808 1.347) 4.599 4.729 ( -4.333 -7.505 -2.988) 9.166 4.762 ( -3.032 -5.252 3.927) 7.225 5.088 ( -3.131 -5.423 -4.809) 7.895 5.159 ( -3.631 -6.289 3.984) 8.283 5.605 ( 2.553 4.421 -1.504) 5.322 5.669 ( -0.149 -0.257 -6.629) 6.636 5.809 ( -1.091 -1.890 2.800) 3.550 5.818 ( -6.386 -11.061 -5.155) 13.773 5.974 ( 1.617 2.801 3.064) 4.455 6.078 ( -3.254 -5.636 4.667) 8.008 6.943 ( -0.235 -0.408 -2.399) 2.445 6.947 ( -0.186 -0.321 1.626) 1.668 7.384 ( 2.140 3.707 -2.714) 5.068 7.440 ( 0.601 1.041 3.052) 3.280 7.548 ( -1.471 -2.548 -4.238) 5.160 7.837 ( -1.891 -3.276 11.440) 12.050 8.017 ( 1.528 2.646 -2.894) 4.208 8.308 ( -0.678 -1.174 -1.553) 2.061 8.317 ( -0.024 -0.042 0.970) 0.971 8.635 ( 0.379 0.657 -4.512) 4.575 9.369 ( 2.233 3.868 0.494) 4.493 9.372 ( 2.043 3.538 -0.572) 4.125 9.703 ( 8.117 14.060 2.712) 16.460 9.733 ( 7.087 12.276 -1.547) 14.259 10.073 ( -8.833 -15.299 -2.512) 17.843 10.111 ( -11.369 -19.691 3.170) 22.957 11.559 ( 1.232 2.134 0.154) 2.469 11.583 ( 0.018 0.031 -0.036) 0.050 13.668 ( 0.574 0.994 -0.140) 1.157 13.692 ( -0.515 -0.891 0.199) 1.048 14.831 ( 4.908 8.500 1.429) 9.919 14.849 ( 4.454 7.715 -1.224) 8.992 15.139 ( 0.646 1.118 0.844) 1.543 15.162 ( -0.196 -0.340 -0.132) 0.414 15.486 ( -4.267 -7.391 7.493) 11.356 15.919 ( -3.799 -6.579 -8.333) 11.276 17.325 ( -0.656 -1.136 -2.253) 2.607 17.604 ( 0.865 1.499 -3.613) 4.007 17.774 ( 1.009 1.747 11.293) 11.472 17.899 ( 3.299 5.713 0.881) 6.656 17.916 ( 1.810 3.135 1.174) 3.805 18.218 ( -2.385 -4.131 -5.350) 7.167 18.765 ( 0.095 0.164 -0.084) 0.207 18.839 ( -2.483 -4.301 -2.633) 5.621 19.128 ( 0.499 0.865 0.058) 1.000 19.148 ( -0.243 -0.421 -0.144) 0.507 20.334 ( 2.653 4.594 -6.468) 8.365 20.366 ( 0.512 0.888 0.647) 1.212 20.372 ( 0.519 0.900 0.157) 1.051 20.436 ( -0.088 -0.152 0.355) 0.396 20.445 ( -0.856 -1.482 8.145) 8.322 20.506 ( -3.365 -5.828 -2.533) 7.191 ======================= Grid point 266 (43/68) ======================= 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 0.000 0.000 20.325) 20.325 0.840 ( 0.000 0.000 20.325) 20.325 1.184 ( -0.000 0.000 -15.920) 15.920 1.184 ( 0.000 0.000 -15.920) 15.920 1.698 ( 0.000 0.000 39.958) 39.958 2.357 ( 0.000 0.000 -29.640) 29.640 4.923 ( 0.000 -0.000 11.136) 11.136 4.923 ( 0.000 0.000 11.136) 11.136 4.948 ( 0.000 0.000 9.340) 9.340 5.136 ( -0.000 -0.000 -10.158) 10.158 5.149 ( 0.000 0.000 -12.452) 12.452 5.149 ( 0.000 -0.000 -12.452) 12.452 5.767 ( -0.000 -0.000 4.325) 4.325 5.867 ( 0.000 0.000 -6.114) 6.114 6.400 ( -0.000 0.000 7.575) 7.575 6.400 ( -0.000 -0.000 7.575) 7.575 6.523 ( 0.000 0.000 -5.353) 5.353 6.523 ( 0.000 -0.000 -5.353) 5.353 7.215 ( 0.000 0.000 0.758) 0.758 7.215 ( 0.000 -0.000 0.758) 0.758 7.233 ( -0.000 0.000 -1.027) 1.027 7.233 ( -0.000 -0.000 -1.027) 1.027 7.585 ( 0.000 -0.000 4.351) 4.351 7.643 ( 0.000 0.000 -1.419) 1.419 9.099 ( 0.000 -0.000 6.906) 6.906 9.236 ( 0.000 -0.000 -6.901) 6.901 9.294 ( -0.000 -0.000 1.234) 1.234 9.318 ( 0.000 0.000 -1.489) 1.489 9.450 ( 0.000 0.000 1.355) 1.355 9.450 ( 0.000 -0.000 1.355) 1.355 9.477 ( 0.000 0.000 -1.413) 1.413 9.477 ( 0.000 -0.000 -1.413) 1.413 10.122 ( 0.000 0.000 0.404) 0.404 10.122 ( -0.000 -0.000 0.404) 0.404 10.129 ( 0.000 0.000 -0.375) 0.375 10.129 ( 0.000 -0.000 -0.375) 0.375 13.328 ( 0.000 0.000 3.730) 3.730 13.328 ( 0.000 0.000 3.730) 3.730 13.402 ( 0.000 0.000 -3.860) 3.860 13.402 ( 0.000 -0.000 -3.860) 3.860 14.974 ( 0.000 0.000 1.404) 1.404 14.974 ( 0.000 -0.000 1.404) 1.404 15.000 ( 0.000 0.000 -1.324) 1.324 15.000 ( -0.000 0.000 -1.324) 1.324 17.109 ( 0.000 0.000 2.335) 2.335 17.109 ( 0.000 -0.000 2.335) 2.335 17.154 ( 0.000 0.000 -2.324) 2.324 17.154 ( 0.000 0.000 -2.324) 2.324 17.168 ( 0.000 0.000 1.370) 1.370 17.195 ( 0.000 -0.000 -1.398) 1.398 18.730 ( 0.000 0.000 0.424) 0.424 18.738 ( -0.000 0.000 -0.387) 0.387 20.212 ( 0.000 -0.000 0.185) 0.185 20.212 ( 0.000 -0.000 0.185) 0.185 20.216 ( 0.000 0.000 -0.160) 0.160 20.216 ( 0.000 -0.000 -0.160) 0.160 20.307 ( -0.000 0.000 0.447) 0.447 20.316 ( 0.000 0.000 -0.465) 0.465 21.123 ( 0.000 -0.000 0.333) 0.333 21.130 ( 0.000 0.000 -0.322) 0.322 ======================= Grid point 267 (44/68) ======================= q-point: ( 0.09 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 28.375 -8.921 14.386) 33.041 1.271 ( 2.626 21.252 -10.812) 23.988 1.449 ( 17.114 22.135 18.887) 33.758 1.755 ( 38.916 7.511 -12.646) 41.603 1.910 ( 25.804 19.503 24.696) 40.695 2.387 ( 5.884 3.744 -23.319) 24.340 4.711 ( -10.567 -3.488 7.556) 13.451 4.819 ( -4.638 -10.589 2.053) 11.741 4.959 ( -2.165 -10.487 -4.857) 11.758 5.018 ( -9.716 8.569 -1.399) 13.031 5.189 ( 2.159 8.956 4.011) 10.048 5.338 ( 7.753 -1.803 -6.001) 9.969 5.693 ( -5.607 -1.911 1.880) 6.214 5.809 ( -3.703 -3.259 -8.461) 9.794 6.244 ( -6.938 -2.451 6.556) 9.856 6.366 ( -6.732 -6.227 -6.050) 10.986 6.520 ( 2.775 -1.539 6.193) 6.958 6.598 ( -2.104 2.453 -1.319) 3.490 6.808 ( -20.504 -11.081 15.464) 27.970 7.043 ( -14.239 -11.016 -9.795) 20.495 7.228 ( -0.873 4.096 1.102) 4.331 7.252 ( 3.546 -2.876 -1.343) 4.759 7.390 ( 3.922 -7.356 5.603) 10.044 7.462 ( -7.494 6.312 -1.479) 9.909 9.037 ( -3.264 -2.438 4.812) 6.305 9.124 ( -4.455 -1.941 -4.102) 6.359 9.151 ( -4.495 -3.299 3.132) 6.395 9.217 ( -4.109 -2.240 -3.446) 5.812 9.443 ( -2.384 2.542 1.458) 3.778 9.473 ( 1.131 -3.103 -1.601) 3.670 9.897 ( 4.679 -3.943 4.524) 7.610 9.972 ( -7.779 0.675 -2.804) 8.297 10.172 ( 8.054 3.271 0.761) 8.726 10.186 ( 10.153 2.462 -0.483) 10.458 10.284 ( 13.422 22.188 4.159) 26.263 10.449 ( 34.374 12.755 -14.426) 39.400 13.369 ( 1.952 4.726 4.206) 6.621 13.441 ( 7.580 2.500 1.295) 8.086 13.476 ( 7.905 1.634 -2.203) 8.367 13.544 ( 8.970 5.969 -4.577) 11.706 14.949 ( -3.729 1.973 1.356) 4.431 14.975 ( -0.398 -3.986 -1.348) 4.227 15.382 ( 32.675 14.653 10.687) 37.371 15.694 ( 42.224 27.450 -24.629) 56.063 17.112 ( 0.816 0.158 1.472) 1.691 17.138 ( 2.132 0.567 0.864) 2.369 17.143 ( -0.348 1.596 -1.197) 2.025 17.180 ( 2.444 0.703 -2.129) 3.317 17.198 ( 2.227 -0.525 0.514) 2.345 17.242 ( 3.990 4.457 -4.151) 7.281 18.764 ( 2.740 1.533 0.450) 3.172 18.772 ( 2.789 1.654 -0.454) 3.274 20.099 ( -7.805 -7.508 4.237) 11.629 20.144 ( -6.699 -0.824 -1.323) 6.878 20.202 ( -1.611 0.700 0.636) 1.868 20.215 ( 0.750 -2.118 -0.597) 2.325 20.320 ( 0.891 0.089 0.808) 1.206 20.335 ( 0.889 1.105 -0.728) 1.594 21.014 ( -7.759 -4.889 0.022) 9.171 21.015 ( -7.999 -3.374 -0.085) 8.682 ======================= Grid point 268 (45/68) ======================= q-point: ( 0.18 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 25.301 2.835 8.885) 26.965 1.577 ( 11.516 11.422 5.610) 17.162 1.772 ( 9.957 13.166 10.935) 19.800 2.163 ( 6.454 1.351 -21.771) 22.748 2.926 ( 45.735 30.774 5.082) 55.358 3.001 ( 41.885 21.121 -2.256) 46.963 4.497 ( -7.969 -5.352 7.872) 12.415 4.635 ( -5.223 -7.215 -4.647) 10.047 4.815 ( -3.645 -7.005 -1.815) 8.102 4.860 ( -12.344 2.987 -3.742) 13.240 5.285 ( -1.774 4.983 9.503) 10.875 5.359 ( -0.814 -3.719 5.572) 6.748 5.599 ( -2.844 -1.789 -5.066) 6.079 5.713 ( -2.189 -3.437 -12.670) 13.309 6.078 ( -8.537 -4.165 3.427) 10.098 6.151 ( -9.651 -5.297 -3.315) 11.497 6.376 ( -4.038 -8.398 10.059) 13.712 6.534 ( -5.775 -1.902 -5.457) 8.170 6.675 ( -0.128 2.021 6.869) 7.161 6.806 ( -3.265 -2.167 -6.125) 7.272 7.281 ( 2.864 2.155 1.118) 3.754 7.306 ( 2.887 0.712 -1.416) 3.293 7.427 ( 4.181 -1.258 3.298) 5.471 7.466 ( -0.624 4.649 -0.520) 4.720 8.959 ( -2.126 -3.629 3.467) 5.451 9.006 ( -7.290 -2.838 1.357) 7.939 9.039 ( -5.228 -1.056 -1.023) 5.431 9.092 ( -4.996 -4.505 -3.519) 7.592 9.413 ( -4.895 3.713 1.544) 6.335 9.447 ( 1.229 -6.602 -1.940) 6.990 9.674 ( -16.223 -4.698 2.477) 17.070 9.718 ( -12.731 -10.968 -1.963) 16.918 10.366 ( 7.159 9.322 1.816) 11.893 10.403 ( 12.839 0.617 -2.078) 13.021 10.807 ( 16.512 12.456 6.889) 21.800 10.956 ( 14.149 7.535 -8.568) 18.176 13.457 ( 1.741 5.394 4.233) 7.075 13.547 ( 4.877 -1.343 -5.117) 7.196 13.737 ( 15.867 5.166 5.072) 17.441 13.828 ( 12.596 11.112 -4.301) 17.339 14.887 ( -4.584 0.909 0.957) 4.770 14.907 ( -2.088 -4.465 -1.139) 5.059 16.156 ( 29.398 14.814 13.379) 35.534 16.390 ( 11.699 6.705 -9.670) 16.593 17.124 ( 1.191 0.625 4.878) 5.060 17.183 ( 3.865 1.750 2.030) 4.704 17.211 ( 4.520 1.220 -0.022) 4.682 17.258 ( 4.527 2.337 -2.168) 5.537 17.294 ( 5.832 3.014 -0.768) 6.610 17.450 ( 11.913 10.633 -22.596) 27.668 18.850 ( 4.375 2.308 0.556) 4.978 18.862 ( 4.292 2.766 -0.690) 5.152 19.814 ( -12.015 -11.588 10.317) 19.624 19.952 ( -12.947 -2.759 -5.096) 14.185 20.182 ( -1.307 0.749 1.284) 1.979 20.206 ( 0.885 -2.254 -1.226) 2.714 20.336 ( 1.064 -0.134 1.082) 1.524 20.358 ( 0.359 1.146 -1.062) 1.603 20.816 ( -6.097 -6.559 2.035) 9.184 20.870 ( -6.223 0.488 -3.686) 7.249 ======================= Grid point 269 (46/68) ======================= q-point: ( 0.27 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 17.221 7.848 13.219) 23.085 1.946 ( 18.157 8.046 3.256) 20.126 2.105 ( 10.765 12.093 0.584) 16.201 2.306 ( 8.784 3.367 -15.232) 17.903 3.876 ( 26.094 20.068 3.217) 33.075 3.945 ( 33.513 14.273 -3.780) 36.621 4.344 ( -0.694 -5.296 8.116) 9.716 4.474 ( -7.858 -1.685 -5.366) 9.664 4.743 ( 3.864 0.707 0.479) 3.957 4.766 ( 1.504 5.148 -2.491) 5.914 5.203 ( -10.556 1.718 8.234) 13.497 5.271 ( -2.320 -6.984 5.160) 8.988 5.525 ( -3.773 -0.696 -2.103) 4.375 5.689 ( 2.925 -2.640 -14.613) 15.135 5.889 ( -4.350 -7.855 3.156) 9.517 5.960 ( -8.972 1.406 -3.820) 9.852 6.258 ( -1.681 -6.605 8.923) 11.228 6.417 ( -5.838 0.086 -7.575) 9.564 6.700 ( 1.187 -0.055 5.410) 5.539 6.782 ( -0.611 1.682 -2.845) 3.361 7.344 ( 1.443 0.440 0.972) 1.794 7.358 ( 2.647 1.787 -0.702) 3.270 7.508 ( 4.827 1.503 2.158) 5.497 7.536 ( 3.811 3.533 -0.801) 5.258 8.812 ( -9.702 -4.483 2.161) 10.904 8.843 ( -6.486 -7.849 -1.065) 10.238 8.943 ( -4.575 2.956 3.049) 6.242 9.010 ( -0.128 -4.095 -3.740) 5.548 9.240 ( -15.440 -11.607 1.218) 19.354 9.268 ( -20.094 -3.454 -1.651) 20.455 9.400 ( -0.703 -12.212 1.830) 12.368 9.432 ( -7.499 3.340 -1.521) 8.349 10.597 ( 7.467 9.414 2.244) 12.223 10.643 ( 12.687 1.057 -2.522) 12.978 11.120 ( 8.813 7.044 4.317) 12.080 11.204 ( 8.405 4.234 -4.319) 10.355 13.535 ( 1.390 4.272 3.523) 5.709 13.608 ( 3.782 -1.524 -4.042) 5.742 14.092 ( 15.677 6.635 4.537) 17.617 14.170 ( 11.850 9.692 -3.373) 15.676 14.825 ( -1.081 -1.990 0.457) 2.310 14.840 ( -1.222 0.849 -1.150) 1.880 16.411 ( -5.475 -4.161 4.987) 8.495 16.508 ( 0.530 1.397 -4.967) 5.187 17.270 ( 10.084 0.789 11.661) 15.437 17.296 ( 7.613 3.131 5.218) 9.746 17.310 ( 3.835 4.755 0.937) 6.180 17.384 ( 5.447 4.913 -1.333) 7.456 17.445 ( 8.693 2.893 3.397) 9.771 17.777 ( 10.646 9.465 -25.604) 29.300 18.951 ( 4.192 1.974 0.630) 4.676 18.963 ( 3.426 2.736 -0.410) 4.404 19.480 ( -11.470 -11.287 10.526) 19.229 19.649 ( -16.201 -4.311 -7.402) 18.327 20.175 ( -0.654 1.213 1.162) 1.802 20.201 ( 1.254 -2.289 -1.605) 3.064 20.356 ( 1.349 -0.188 0.827) 1.593 20.372 ( 0.049 1.072 -0.787) 1.330 20.688 ( -2.026 -4.725 5.186) 7.303 20.795 ( -4.075 1.918 -6.000) 7.503 ======================= Grid point 270 (47/68) ======================= q-point: ( 0.36 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 10.422 4.144 5.291) 12.401 2.314 ( 8.217 4.627 -3.996) 10.242 2.381 ( 13.723 13.489 8.954) 21.224 2.566 ( 15.155 4.787 -9.657) 18.597 4.011 ( -7.300 -5.437 4.486) 10.148 4.112 ( -9.858 -2.982 -5.991) 11.915 4.458 ( 7.371 2.184 3.015) 8.258 4.496 ( 5.357 4.988 -0.906) 7.376 4.865 ( -4.376 -4.967 1.664) 6.826 4.915 ( -3.380 -2.416 -3.527) 5.450 5.157 ( 14.223 3.729 10.991) 18.358 5.374 ( 10.379 10.977 -11.504) 18.989 5.493 ( 2.115 7.910 10.772) 13.530 5.697 ( -2.485 -0.782 -9.633) 9.979 5.804 ( 2.072 -2.217 4.376) 5.325 5.912 ( 4.223 1.616 -6.742) 8.118 6.183 ( 1.097 -5.013 7.828) 9.360 6.327 ( -4.264 0.389 -7.194) 8.372 6.724 ( 3.461 -1.709 6.105) 7.223 6.826 ( 1.737 6.768 -4.586) 8.358 7.374 ( -0.042 3.930 2.662) 4.747 7.420 ( 4.667 -2.468 -2.219) 5.727 7.618 ( 6.115 -0.475 2.010) 6.454 7.648 ( 2.543 5.786 -1.162) 6.426 8.543 ( -15.071 -7.323 3.633) 17.145 8.615 ( -10.926 -9.698 -3.661) 15.061 8.756 ( -17.899 -7.689 1.928) 19.576 8.802 ( -14.255 -8.576 -2.669) 16.848 8.978 ( 0.400 -1.692 3.511) 3.918 9.037 ( -0.515 1.874 -2.723) 3.346 9.295 ( -2.906 -4.989 2.966) 6.491 9.349 ( -4.802 0.072 -2.677) 5.498 10.802 ( 5.185 7.848 2.565) 9.749 10.855 ( 10.204 -0.257 -2.889) 10.608 11.293 ( 4.013 5.209 3.658) 7.525 11.359 ( 5.794 1.752 -3.284) 6.886 13.591 ( 0.888 2.744 2.927) 4.110 13.651 ( 2.514 -1.068 -3.207) 4.212 14.334 ( 3.670 3.387 1.959) 5.364 14.361 ( 3.086 0.871 -0.891) 3.329 14.889 ( 9.298 3.527 2.884) 10.355 14.951 ( 8.971 7.149 -3.514) 11.998 16.201 ( -10.371 -7.057 8.409) 15.102 16.375 ( -10.060 -4.205 -9.676) 14.578 17.392 ( 6.124 -0.726 1.598) 6.371 17.411 ( 3.077 4.675 -0.245) 5.602 17.457 ( 6.605 -1.560 4.493) 8.139 17.512 ( 1.111 6.623 -2.122) 7.043 17.705 ( 12.874 4.896 13.037) 18.965 18.009 ( 7.005 6.193 -17.723) 20.038 19.016 ( -0.159 1.090 2.438) 2.675 19.031 ( 2.543 0.877 0.134) 2.694 19.208 ( -6.832 -7.731 5.380) 11.635 19.326 ( -14.385 -3.996 -6.282) 16.197 20.179 ( -0.669 1.583 0.498) 1.789 20.203 ( 1.630 -2.579 -1.851) 3.568 20.379 ( 1.419 -0.350 0.315) 1.495 20.383 ( -0.055 1.152 -0.120) 1.159 20.635 ( 0.105 -2.872 6.598) 7.197 20.755 ( -2.861 1.975 -5.904) 6.851 ======================= Grid point 271 (48/68) ======================= q-point: ( 0.45 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 1.919 1.524 2.321) 3.375 2.405 ( 1.618 0.711 -2.673) 3.204 2.755 ( 9.461 9.742 5.102) 14.507 2.853 ( 10.266 1.097 -5.080) 11.507 3.801 ( -7.548 -3.488 5.005) 9.705 3.903 ( -6.249 -4.058 -5.658) 9.356 4.577 ( 2.614 2.057 5.337) 6.289 4.602 ( 0.298 3.890 3.741) 5.405 4.705 ( -1.743 -6.408 -0.254) 6.646 4.802 ( -2.099 -1.151 -8.679) 9.003 5.349 ( 1.088 -0.595 4.786) 4.944 5.434 ( 0.951 1.159 -3.108) 3.451 5.571 ( 0.197 -1.619 5.380) 5.622 5.683 ( -1.471 0.814 -5.221) 5.485 5.973 ( 3.845 6.334 1.709) 7.605 6.027 ( 1.873 3.169 -3.712) 5.227 6.249 ( 6.692 0.686 2.344) 7.124 6.295 ( 0.371 -0.369 -2.391) 2.448 6.834 ( 10.230 -2.020 8.189) 13.258 6.990 ( 3.703 10.803 -8.336) 14.138 7.438 ( 1.879 6.031 2.533) 6.805 7.478 ( 5.714 -3.549 -1.912) 6.993 7.658 ( -0.385 -4.404 2.353) 5.008 7.699 ( -3.374 2.716 -1.939) 4.746 8.190 ( -10.283 -7.339 1.929) 12.780 8.218 ( -13.970 -6.669 -0.914) 15.507 8.534 ( -4.732 -1.293 1.443) 5.113 8.577 ( -3.902 -4.068 -3.051) 6.409 9.015 ( 2.094 1.374 3.158) 4.031 9.067 ( 1.001 0.681 -2.312) 2.610 9.201 ( -2.191 -2.733 3.755) 5.135 9.271 ( -3.163 -0.180 -3.445) 4.680 10.924 ( 0.699 5.100 2.792) 5.856 10.981 ( 5.522 -3.005 -3.139) 7.026 11.376 ( 0.276 3.617 3.707) 5.186 11.442 ( 2.670 -0.466 -3.203) 4.196 13.621 ( 0.023 1.429 2.658) 3.018 13.674 ( 1.227 -0.966 -2.792) 3.199 14.353 ( -1.751 1.858 0.921) 2.714 14.366 ( 0.459 -2.354 -0.523) 2.454 15.141 ( 9.456 4.781 2.609) 10.913 15.190 ( 6.790 4.612 -2.410) 8.555 15.958 ( -7.151 -5.365 9.908) 13.345 16.159 ( -7.489 -2.470 -10.934) 13.481 17.470 ( 3.739 -1.853 1.416) 4.407 17.495 ( 0.169 4.873 -1.271) 5.039 17.522 ( 4.941 -5.345 2.328) 7.642 17.558 ( -2.271 4.932 -1.629) 5.669 17.911 ( 5.432 1.839 12.094) 13.385 18.152 ( 3.267 2.851 -12.973) 13.678 18.956 ( -3.478 -0.877 5.327) 6.422 19.046 ( -1.514 -2.293 -3.491) 4.443 19.113 ( -3.868 0.527 -0.315) 3.917 19.125 ( -0.552 -1.107 -1.033) 1.612 20.181 ( -0.937 1.742 0.123) 1.981 20.205 ( 1.752 -2.906 -2.059) 3.969 20.391 ( -0.383 1.127 0.330) 1.235 20.396 ( 0.978 -0.801 -0.153) 1.273 20.622 ( 0.819 -1.767 6.687) 6.964 20.733 ( -1.794 1.970 -5.009) 5.673 ======================= Grid point 278 (49/68) ======================= q-point: ( 0.09 0.09 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 14.262 24.703 7.610) 29.522 1.561 ( 4.246 7.354 22.031) 23.611 1.890 ( 11.084 19.198 0.611) 22.177 2.009 ( 7.812 13.532 -20.568) 25.830 2.665 ( 26.180 45.346 7.373) 52.877 2.693 ( 18.277 31.657 -8.683) 37.572 4.557 ( -7.019 -12.157 8.296) 16.306 4.605 ( -4.641 -8.039 0.939) 9.330 4.818 ( -2.014 -3.488 -8.083) 9.031 5.134 ( -1.710 -2.961 -0.782) 3.508 5.149 ( -2.909 -5.038 -0.520) 5.840 5.388 ( 2.036 3.527 5.811) 7.096 5.637 ( -1.528 -2.647 1.988) 3.646 5.726 ( -2.203 -3.815 -13.868) 14.551 6.139 ( -4.541 -7.865 3.008) 9.566 6.227 ( -3.770 -6.530 -4.144) 8.604 6.347 ( -7.433 -12.874 10.135) 17.992 6.549 ( -2.344 -4.060 6.569) 8.070 6.728 ( 0.626 1.084 2.448) 2.749 6.809 ( -4.120 -7.136 -8.949) 12.165 7.261 ( 0.589 1.021 -0.254) 1.205 7.291 ( 1.301 2.254 0.884) 2.749 7.358 ( 2.927 5.070 1.489) 6.041 7.528 ( 0.266 0.460 -0.293) 0.607 8.957 ( -3.141 -5.441 3.769) 7.327 9.067 ( -1.877 -3.252 -3.930) 5.435 9.067 ( -2.344 -4.060 3.776) 6.020 9.130 ( -3.458 -5.990 -2.631) 7.400 9.353 ( -4.530 -7.846 -1.647) 9.208 9.418 ( -2.878 -4.984 1.316) 5.904 9.975 ( 0.930 1.610 2.028) 2.752 10.018 ( -1.448 -2.508 -2.492) 3.821 10.095 ( 0.100 0.172 1.313) 1.328 10.136 ( 0.414 0.717 0.343) 0.896 10.760 ( 11.994 20.775 5.827) 24.686 10.882 ( 11.142 19.298 -10.743) 24.738 13.487 ( 0.941 1.630 -5.268) 5.594 13.512 ( 2.996 5.190 4.978) 7.791 13.577 ( 7.082 12.266 3.448) 14.577 13.778 ( 8.631 14.949 -3.517) 17.617 14.893 ( -2.289 -3.964 -1.737) 4.896 14.950 ( -1.192 -2.064 1.391) 2.759 15.928 ( 19.048 32.992 15.985) 41.313 16.293 ( 11.574 20.046 -15.728) 27.985 17.123 ( -0.376 -0.651 2.130) 2.258 17.162 ( 0.887 1.537 2.355) 2.949 17.163 ( 1.835 3.178 -1.833) 4.102 17.238 ( 2.385 4.130 -2.126) 5.221 17.256 ( 3.655 6.330 -0.298) 7.316 17.405 ( 7.312 12.665 -17.499) 22.805 18.821 ( 2.235 3.871 0.509) 4.499 18.836 ( 2.508 4.344 -0.664) 5.060 19.858 ( -8.587 -14.874 9.050) 19.413 20.072 ( -4.329 -7.499 -3.998) 9.537 20.171 ( -0.642 -1.111 -0.487) 1.373 20.200 ( -0.327 -0.567 2.035) 2.138 20.324 ( 0.223 0.386 0.807) 0.921 20.361 ( 0.680 1.179 -1.027) 1.705 20.839 ( -5.675 -9.830 0.395) 11.358 20.938 ( -2.225 -3.853 -2.967) 5.348 ======================= Grid point 279 (50/68) ======================= q-point: ( 0.18 0.09 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 10.747 14.217 16.148) 24.050 1.805 ( 16.904 22.930 5.629) 29.038 2.164 ( 3.780 14.227 -12.781) 19.495 2.289 ( 6.470 18.042 -5.961) 20.073 3.541 ( 33.104 29.519 0.778) 44.361 3.559 ( 29.727 27.145 0.206) 40.257 4.305 ( -6.142 -12.435 7.416) 15.728 4.462 ( -1.966 -8.154 -3.725) 9.177 4.822 ( 0.022 4.563 -2.809) 5.358 4.896 ( -12.475 2.455 -1.904) 12.856 5.125 ( 3.965 -11.711 1.174) 12.420 5.392 ( -4.595 0.493 9.009) 10.126 5.601 ( -2.381 1.977 2.390) 3.910 5.663 ( -0.980 -1.310 -15.194) 15.282 5.922 ( -9.155 -9.112 2.079) 13.082 6.108 ( -5.850 -0.698 -5.390) 7.985 6.156 ( -0.076 -11.030 7.762) 13.488 6.453 ( -2.015 -6.692 0.011) 6.989 6.714 ( -2.249 1.312 2.838) 3.851 6.781 ( 1.780 0.282 -4.064) 4.446 7.269 ( 1.398 -1.721 0.433) 2.259 7.387 ( 3.032 5.963 -1.227) 6.801 7.454 ( 1.635 1.108 1.437) 2.443 7.542 ( 1.900 4.493 1.130) 5.007 8.808 ( -4.619 -9.599 2.625) 10.971 8.952 ( -7.702 -6.274 -0.168) 9.935 8.984 ( -3.343 -3.929 -1.545) 5.386 9.033 ( -1.862 -0.615 0.761) 2.103 9.166 ( -3.284 -13.925 -0.476) 14.315 9.269 ( -3.730 -12.794 -0.920) 13.358 9.732 ( -22.030 11.252 -0.615) 24.745 9.873 ( -21.350 12.526 0.799) 24.767 10.255 ( 21.479 -11.099 -1.283) 24.211 10.359 ( 18.737 -7.361 1.903) 20.221 11.099 ( 7.069 13.291 3.173) 15.384 11.178 ( 5.742 11.323 -4.808) 13.576 13.530 ( 2.340 1.106 -3.192) 4.110 13.594 ( 0.609 5.481 3.226) 6.389 13.905 ( 14.101 11.945 3.545) 18.817 14.112 ( 10.372 15.613 -3.648) 19.096 14.812 ( -1.790 -4.149 -1.302) 4.702 14.889 ( -2.912 -1.260 0.782) 3.268 16.434 ( -1.563 -2.428 2.195) 3.627 16.463 ( 9.269 10.407 1.818) 14.055 17.140 ( 4.772 1.952 13.391) 14.349 17.239 ( 3.143 3.519 1.116) 4.849 17.266 ( 6.514 5.344 3.349) 9.067 17.342 ( 3.294 5.870 -2.636) 7.229 17.403 ( 4.746 7.054 -0.032) 8.502 17.715 ( 9.395 13.359 -26.488) 31.118 18.910 ( 3.234 3.328 0.511) 4.668 18.936 ( 3.326 4.156 -0.864) 5.392 19.536 ( -9.837 -14.496 10.690) 20.522 19.841 ( -11.674 -8.626 -6.980) 16.106 20.159 ( 0.702 -1.866 -0.854) 2.169 20.192 ( -0.228 0.329 2.743) 2.772 20.336 ( 0.758 0.141 0.649) 1.008 20.380 ( 0.294 0.949 -0.971) 1.389 20.674 ( -2.995 -6.254 3.053) 7.576 20.869 ( -2.959 -0.763 -5.434) 6.234 ======================= Grid point 280 (51/68) ======================= q-point: ( 0.27 0.09 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 14.228 14.535 11.870) 23.550 2.304 ( 7.803 26.594 0.314) 27.717 2.407 ( 10.359 9.300 -11.628) 18.139 2.555 ( -3.007 26.724 0.982) 26.911 4.028 ( -0.976 -5.787 1.781) 6.133 4.141 ( 12.217 2.192 -3.717) 12.956 4.245 ( 4.988 -1.890 1.237) 5.476 4.483 ( 13.199 6.107 1.497) 14.620 4.677 ( 4.221 -4.662 2.365) 6.719 4.892 ( -3.065 -6.946 -1.171) 7.682 5.219 ( -7.631 2.763 7.950) 11.361 5.311 ( 10.221 14.462 -7.724) 19.320 5.600 ( -4.970 5.969 8.357) 11.409 5.655 ( 1.308 -1.616 -12.167) 12.343 5.741 ( 1.932 -2.667 1.725) 3.718 5.993 ( -5.140 -0.964 -3.467) 6.274 6.080 ( 0.415 -5.919 4.845) 7.660 6.356 ( -1.153 -6.888 -3.514) 7.818 6.671 ( -1.002 -3.519 4.843) 6.070 6.848 ( 2.700 5.280 -4.958) 7.729 7.281 ( 3.374 -3.868 -0.621) 5.170 7.426 ( -0.567 -0.337 2.810) 2.886 7.532 ( 4.107 4.733 0.033) 6.267 7.678 ( 4.021 8.147 0.284) 9.090 8.602 ( -6.284 -13.908 0.075) 15.261 8.702 ( -10.415 -7.875 3.929) 13.636 8.822 ( -5.307 -12.875 -2.180) 14.096 8.896 ( -10.350 -16.911 -1.207) 19.863 9.028 ( -2.222 3.690 1.529) 4.571 9.115 ( -2.394 0.084 -2.595) 3.531 9.490 ( -16.886 9.488 0.964) 19.393 9.630 ( -19.268 10.862 -0.384) 22.122 10.509 ( 19.476 -11.241 -1.696) 22.551 10.606 ( 16.515 -6.698 2.445) 17.988 11.306 ( 3.830 9.040 1.285) 9.901 11.348 ( 2.738 7.956 -2.138) 8.681 13.585 ( 2.383 1.065 -1.672) 3.100 13.647 ( -0.226 4.088 1.844) 4.490 14.256 ( 9.854 10.045 1.873) 14.196 14.405 ( 3.894 12.664 -1.307) 13.314 14.782 ( 3.562 -0.938 0.628) 3.737 14.879 ( 4.162 1.784 -1.664) 4.824 16.279 ( -7.697 -8.802 7.079) 13.668 16.470 ( -6.410 -5.499 -9.142) 12.446 17.273 ( 6.511 0.127 6.124) 8.939 17.334 ( 4.276 2.019 2.615) 5.403 17.461 ( 2.157 7.600 -1.524) 8.046 17.538 ( 12.134 9.913 10.680) 18.962 17.555 ( 3.776 7.484 1.714) 8.556 17.961 ( 6.320 7.813 -19.941) 22.330 18.992 ( 2.705 1.818 0.178) 3.264 19.021 ( 1.889 2.694 0.252) 3.300 19.241 ( -7.751 -11.382 7.703) 15.778 19.520 ( -13.666 -8.269 -7.160) 17.505 20.155 ( 0.956 -1.928 -1.098) 2.416 20.199 ( 0.107 0.929 2.576) 2.740 20.353 ( 1.092 -0.026 0.299) 1.133 20.394 ( 0.199 1.062 -0.331) 1.130 20.600 ( -0.186 -3.520 4.752) 5.916 20.814 ( -2.699 -0.295 -5.834) 6.435 ======================= Grid point 281 (52/68) ======================= q-point: ( 0.36 0.09 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 3.130 18.099 4.075) 18.814 2.598 ( -3.771 21.104 -2.913) 21.635 2.698 ( 11.218 7.641 -6.867) 15.211 2.756 ( -0.569 23.738 6.479) 24.613 3.874 ( -4.689 -5.800 2.289) 7.801 4.029 ( -12.410 -5.244 -4.219) 14.118 4.424 ( 12.862 -4.356 1.541) 13.667 4.555 ( 4.834 -0.920 -0.218) 4.925 4.697 ( -4.293 -6.830 2.164) 8.352 4.890 ( -4.938 0.068 -1.582) 5.185 5.256 ( 13.624 5.437 8.574) 16.991 5.411 ( -2.720 -3.980 1.543) 5.062 5.567 ( -1.459 -2.270 -5.469) 6.098 5.708 ( -1.277 -0.881 -7.835) 7.988 5.870 ( 7.636 0.191 -1.994) 7.894 6.030 ( 0.860 -3.849 3.518) 5.284 6.154 ( 10.796 20.148 1.247) 22.892 6.268 ( -0.745 -7.066 -2.221) 7.444 6.654 ( 6.061 -4.268 6.431) 9.813 6.999 ( 6.018 9.042 -7.273) 13.072 7.310 ( 5.380 -5.654 -0.957) 7.863 7.428 ( 2.510 -1.781 4.100) 5.126 7.632 ( 1.220 4.081 1.132) 4.408 7.793 ( -1.283 4.498 -1.247) 4.841 8.284 ( -9.828 -13.089 1.756) 16.462 8.424 ( -16.815 -10.872 -1.458) 20.077 8.532 ( -3.804 -7.006 2.689) 8.413 8.632 ( -6.302 -7.246 -3.030) 10.070 9.061 ( -0.258 6.811 2.172) 7.153 9.139 ( -0.261 6.923 -2.275) 7.292 9.314 ( -11.599 4.671 2.190) 12.694 9.420 ( -13.578 5.478 -1.776) 14.749 10.696 ( 15.095 -12.907 -1.867) 19.948 10.787 ( 12.036 -8.082 2.779) 14.762 11.427 ( 1.207 6.126 0.334) 6.253 11.445 ( 0.459 5.455 -1.061) 5.576 13.631 ( 1.517 1.196 -0.506) 1.997 13.669 ( -0.851 2.094 0.725) 2.374 14.388 ( -1.525 4.982 -0.419) 5.227 14.477 ( -5.549 8.147 0.590) 9.875 14.980 ( 13.805 4.978 2.914) 14.961 15.082 ( 10.909 5.357 -3.077) 12.536 16.021 ( -8.878 -10.426 8.641) 16.193 16.248 ( -8.451 -8.068 -10.375) 15.626 17.368 ( 5.241 -1.886 1.602) 5.796 17.416 ( 3.223 0.011 2.455) 4.052 17.564 ( 0.262 8.038 -1.184) 8.129 17.656 ( -0.767 7.146 0.226) 7.191 17.817 ( 8.750 5.519 11.808) 15.699 18.114 ( 4.428 3.705 -13.558) 14.736 18.993 ( -3.583 -4.051 5.771) 7.909 19.037 ( 0.326 -0.678 -1.020) 1.268 19.105 ( 0.478 -1.100 -1.612) 2.010 19.230 ( -9.764 -5.001 -4.216) 11.752 20.153 ( 1.080 -1.980 -1.329) 2.618 20.210 ( -0.180 1.203 2.260) 2.567 20.371 ( 0.985 -0.347 -0.161) 1.057 20.408 ( -0.033 1.130 0.292) 1.168 20.581 ( 1.109 -2.213 4.950) 5.535 20.769 ( -1.641 -0.699 -5.011) 5.319 ======================= Grid point 282 (53/68) ======================= q-point: ( 0.45 0.09 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( -10.518 18.217 1.836) 21.115 2.643 ( -12.312 21.324 -2.435) 24.743 2.842 ( 1.064 -1.843 -4.585) 5.055 2.950 ( -5.822 10.084 5.255) 12.775 3.778 ( -0.880 1.525 5.082) 5.379 3.859 ( -0.043 0.074 -5.805) 5.806 4.509 ( 4.238 -7.340 2.328) 8.789 4.576 ( 3.448 -5.972 -0.002) 6.896 4.672 ( -1.147 1.987 5.452) 5.915 4.821 ( -1.732 2.999 -6.566) 7.423 5.331 ( 1.059 -1.835 2.652) 3.394 5.476 ( -1.124 1.946 -4.779) 5.281 5.480 ( 3.375 -5.845 7.342) 9.973 5.690 ( 0.310 -0.537 -4.940) 4.979 5.951 ( 0.525 -0.910 -2.220) 2.456 6.041 ( 3.900 -6.755 -1.266) 7.902 6.197 ( 4.686 -8.117 1.473) 9.487 6.351 ( -2.557 4.429 -0.351) 5.126 6.769 ( 1.403 -2.429 5.467) 6.145 7.148 ( -1.707 2.956 -7.062) 7.844 7.345 ( 4.690 -8.123 -0.270) 9.384 7.492 ( 0.973 -1.685 3.096) 3.657 7.656 ( -2.137 3.702 2.651) 5.030 7.677 ( 1.667 -2.887 -2.556) 4.201 8.144 ( -0.965 1.671 -1.072) 2.208 8.173 ( -2.086 3.613 3.303) 5.322 8.477 ( 1.863 -3.227 -4.012) 5.475 8.519 ( 0.773 -1.338 1.800) 2.373 9.151 ( -5.698 9.869 2.351) 11.635 9.160 ( -3.402 5.892 0.763) 6.846 9.228 ( -4.266 7.389 0.096) 8.533 9.290 ( -1.247 2.159 -2.874) 3.805 10.766 ( 9.241 -16.006 -1.927) 18.582 10.854 ( 6.340 -10.980 2.926) 13.012 11.473 ( -2.484 4.302 2.194) 5.431 11.474 ( -1.692 2.930 -2.929) 4.475 13.660 ( -1.145 1.984 2.353) 3.284 13.663 ( 0.119 -0.207 -2.122) 2.135 14.391 ( -2.865 4.962 -0.405) 5.744 14.459 ( -4.836 8.376 0.414) 9.681 15.191 ( 0.573 -0.993 1.516) 1.901 15.223 ( 0.544 -0.943 -1.154) 1.587 15.851 ( 2.662 -4.610 9.478) 10.871 16.104 ( 1.568 -2.715 -11.218) 11.647 17.409 ( 2.818 -4.880 0.914) 5.709 17.442 ( 0.411 -0.712 1.407) 1.629 17.615 ( -3.603 6.241 -0.598) 7.231 17.679 ( -3.509 6.078 0.335) 7.027 17.929 ( 0.098 -0.170 11.469) 11.470 18.179 ( 0.138 -0.239 -11.205) 11.208 18.940 ( 0.494 -0.856 3.807) 3.933 19.001 ( 0.902 -1.562 -4.819) 5.145 19.111 ( 0.132 -0.229 -1.506) 1.529 19.130 ( -0.505 0.875 0.131) 1.018 20.152 ( 1.147 -1.987 -1.435) 2.707 20.215 ( -0.668 1.156 2.174) 2.551 20.378 ( 0.441 -0.764 -0.374) 0.958 20.413 ( -0.525 0.909 0.533) 1.178 20.582 ( 1.108 -1.919 4.707) 5.202 20.749 ( 0.202 -0.349 -4.423) 4.441 ======================= Grid point 291 (54/68) ======================= q-point: ( 0.18 0.18 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 10.420 18.048 13.472) 24.816 2.360 ( 6.833 11.836 -12.493) 18.516 2.420 ( 17.076 29.577 0.117) 34.153 2.785 ( 13.713 23.751 0.569) 27.431 3.932 ( 6.560 11.363 -2.004) 13.273 4.048 ( -6.714 -11.629 4.823) 14.268 4.156 ( 16.101 27.887 4.912) 32.574 4.316 ( -3.356 -5.813 -8.448) 10.790 4.718 ( -6.707 -11.616 7.492) 15.364 4.868 ( -4.313 -7.470 -5.024) 9.982 5.258 ( 12.392 21.464 -6.728) 25.681 5.352 ( -2.376 -4.115 9.567) 10.682 5.657 ( -0.032 -0.055 -16.063) 16.064 5.664 ( 1.679 2.907 9.436) 10.015 5.733 ( -5.015 -8.686 4.307) 10.915 5.952 ( -2.046 -3.543 2.166) 4.630 6.130 ( 0.275 0.475 -6.475) 6.499 6.287 ( -4.867 -8.429 0.419) 9.742 6.670 ( -3.055 -5.291 5.060) 7.933 6.849 ( 3.150 5.457 -5.696) 8.493 7.230 ( -1.123 -1.944 -0.629) 2.332 7.422 ( -1.654 -2.866 3.205) 4.607 7.533 ( 4.354 7.542 -1.182) 8.788 7.679 ( 4.553 7.887 1.693) 9.263 8.584 ( -7.342 -12.717 0.770) 14.704 8.772 ( -8.169 -14.149 4.289) 16.892 8.784 ( -5.660 -9.803 -1.185) 11.381 8.886 ( -6.851 -11.867 -2.122) 13.866 9.076 ( 0.630 1.090 -0.223) 1.279 9.125 ( -0.279 -0.483 -2.008) 2.084 9.953 ( -1.330 -2.303 0.391) 2.688 9.973 ( -1.184 -2.051 -1.372) 2.737 10.151 ( 0.139 0.240 1.111) 1.145 10.186 ( 1.571 2.721 0.881) 3.263 11.322 ( 4.995 8.651 1.482) 10.099 11.369 ( 4.180 7.240 -2.311) 8.674 13.567 ( 1.379 2.388 -2.484) 3.712 13.677 ( 1.452 2.514 2.758) 4.004 14.217 ( 10.092 17.481 3.185) 20.435 14.437 ( 8.813 15.264 -3.266) 17.925 14.750 ( -0.706 -1.223 -1.318) 1.932 14.848 ( -1.155 -2.001 0.598) 2.387 16.301 ( -5.630 -9.752 6.469) 12.987 16.497 ( -3.537 -6.127 -8.736) 11.241 17.208 ( 2.219 3.844 8.439) 9.535 17.310 ( 2.063 3.573 1.682) 4.455 17.461 ( 6.393 11.074 3.836) 13.350 17.493 ( 5.588 9.679 6.141) 12.752 17.566 ( 4.877 8.448 0.344) 9.761 17.946 ( 5.086 8.809 -20.694) 23.059 18.976 ( 1.680 2.909 0.098) 3.361 19.017 ( 1.989 3.445 -0.344) 3.992 19.251 ( -7.398 -12.813 8.408) 17.018 19.606 ( -7.818 -13.541 -7.541) 17.360 20.135 ( -0.338 -0.586 -0.496) 0.839 20.199 ( 0.246 0.425 3.597) 3.630 20.343 ( 0.311 0.538 0.187) 0.649 20.398 ( 0.493 0.853 -0.437) 1.078 20.582 ( -1.610 -2.789 3.633) 4.855 20.838 ( -1.299 -2.250 -5.674) 6.241 ======================= Grid point 292 (55/68) ======================= q-point: ( 0.27 0.18 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 12.579 18.642 8.094) 23.901 2.593 ( 8.034 8.808 -8.073) 14.398 2.957 ( 2.435 34.941 -0.909) 35.038 3.179 ( -2.364 31.275 2.454) 31.460 3.858 ( -1.992 -7.752 1.752) 8.194 4.123 ( 11.489 -3.246 2.052) 12.114 4.170 ( -8.324 -4.820 -7.501) 12.198 4.501 ( -2.500 -5.060 3.612) 6.701 4.611 ( 10.345 -3.985 -1.562) 11.195 4.797 ( 7.172 1.874 2.712) 7.893 5.255 ( -6.632 2.007 7.624) 10.302 5.442 ( -7.061 -7.243 -0.043) 10.115 5.560 ( 3.076 2.384 -7.638) 8.573 5.652 ( 1.765 -10.777 2.498) 11.202 5.762 ( 3.254 4.577 -6.063) 8.264 6.061 ( -6.170 -1.790 -0.139) 6.426 6.174 ( 2.246 -6.016 -2.421) 6.863 6.191 ( 10.189 19.099 -0.156) 21.648 6.546 ( -0.265 -6.040 7.142) 9.357 6.983 ( 4.596 6.905 -6.919) 10.802 7.198 ( 1.161 -4.013 -0.676) 4.232 7.369 ( -0.007 -3.519 4.580) 5.776 7.671 ( 2.103 7.002 0.443) 7.325 7.823 ( 2.385 4.316 0.113) 4.932 8.283 ( -7.833 -14.913 1.034) 16.876 8.540 ( -8.375 -10.973 2.684) 14.063 8.545 ( -5.806 -7.426 2.522) 9.758 8.661 ( -5.882 -8.135 -6.000) 11.695 9.122 ( 0.794 5.551 -0.168) 5.610 9.169 ( 2.403 4.047 -0.905) 4.793 9.685 ( -20.400 8.763 0.715) 22.214 9.828 ( -19.768 7.126 -0.172) 21.014 10.247 ( 17.336 -12.989 -0.551) 21.669 10.397 ( 17.970 -12.424 1.330) 21.887 11.460 ( 2.306 5.903 0.501) 6.357 11.482 ( 1.759 4.959 -0.989) 5.354 13.617 ( 1.556 1.862 -1.360) 2.782 13.703 ( -0.451 1.161 1.544) 1.984 14.515 ( -0.391 14.946 1.392) 15.016 14.670 ( -0.320 12.501 -0.259) 12.507 14.790 ( 7.356 1.663 0.925) 7.598 14.918 ( 12.030 2.611 -2.268) 12.517 16.055 ( -8.385 -12.866 7.740) 17.198 16.292 ( -7.710 -11.273 -9.709) 16.757 17.280 ( 3.161 0.568 2.389) 4.002 17.386 ( 2.396 3.015 2.346) 4.509 17.626 ( 2.797 8.348 -1.952) 9.018 17.717 ( 2.823 8.015 3.844) 9.326 17.741 ( 7.364 8.720 9.187) 14.651 18.083 ( 3.382 4.110 -14.042) 15.017 19.007 ( -3.788 -5.494 5.477) 8.633 19.023 ( 0.323 -0.838 0.407) 0.986 19.090 ( 0.647 0.306 -2.248) 2.359 19.327 ( -8.939 -9.859 -5.469) 14.388 20.129 ( 0.200 -0.492 -0.289) 0.605 20.209 ( 0.562 0.049 3.784) 3.826 20.356 ( 0.602 0.294 -0.218) 0.704 20.415 ( 0.358 0.982 0.222) 1.069 20.550 ( 0.185 -1.257 2.998) 3.256 20.782 ( -1.887 -2.712 -4.768) 5.801 ======================= Grid point 293 (56/68) ======================= q-point: ( 0.36 0.18 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 4.786 3.254 -4.282) 7.199 2.834 ( 4.437 13.561 3.541) 14.701 3.200 ( -13.666 32.881 -2.722) 35.711 3.332 ( -12.913 30.130 4.683) 33.113 3.824 ( -0.819 1.302 1.685) 2.281 3.914 ( -9.083 -5.214 -2.283) 10.719 4.294 ( 11.750 -6.031 0.659) 13.224 4.472 ( 0.734 -6.549 -1.314) 6.719 4.657 ( 5.393 1.029 3.591) 6.560 4.917 ( -3.814 3.040 -2.604) 5.529 5.180 ( 5.129 -14.881 3.267) 16.075 5.397 ( 3.595 5.170 2.541) 6.790 5.508 ( -1.168 -7.068 -1.784) 7.382 5.640 ( 1.559 -1.876 -5.225) 5.766 5.872 ( 6.287 1.083 -1.897) 6.655 5.957 ( -0.101 -5.316 1.295) 5.472 6.057 ( -3.755 -10.444 -0.804) 11.127 6.305 ( 2.760 -8.851 1.661) 9.419 6.793 ( 6.750 18.412 0.819) 19.627 7.124 ( 4.630 1.496 -5.525) 7.362 7.194 ( 3.673 -4.951 0.949) 6.237 7.392 ( 6.998 0.454 3.345) 7.770 7.695 ( -10.231 -11.659 -1.288) 15.565 7.737 ( -1.710 3.558 2.932) 4.917 8.173 ( 1.217 2.138 1.623) 2.948 8.294 ( -8.130 -1.192 0.600) 8.238 8.448 ( -1.202 -2.271 -1.672) 3.066 8.506 ( -3.191 -5.186 -1.824) 6.356 9.219 ( 1.614 8.177 0.805) 8.374 9.288 ( 4.075 7.028 -1.322) 8.231 9.448 ( -15.069 8.275 1.774) 17.283 9.556 ( -17.906 8.036 -1.121) 19.659 10.374 ( 14.158 -17.798 -0.742) 22.754 10.531 ( 13.160 -15.883 1.549) 20.685 11.527 ( -0.176 3.615 -0.964) 3.745 11.536 ( -0.322 3.193 0.579) 3.261 13.656 ( 1.010 1.057 -0.883) 1.708 13.694 ( -1.062 0.229 1.051) 1.511 14.562 ( -6.188 11.441 0.564) 13.019 14.676 ( -7.486 10.930 -0.449) 13.256 15.078 ( 13.071 4.347 2.123) 13.938 15.161 ( 7.706 2.168 -1.769) 8.198 15.784 ( -4.943 -12.376 8.441) 15.775 16.057 ( -3.842 -9.958 -10.318) 14.845 17.325 ( 2.467 -1.838 -0.295) 3.091 17.442 ( 0.669 1.984 2.301) 3.111 17.732 ( -0.698 7.875 -0.171) 7.908 17.790 ( -1.985 5.562 1.600) 6.119 17.909 ( 3.546 3.081 9.910) 10.967 18.156 ( 2.006 0.594 -9.892) 10.110 18.911 ( 0.169 -2.890 2.173) 3.620 18.994 ( -2.455 -3.522 -5.085) 6.655 19.110 ( 0.296 0.590 -1.097) 1.281 19.151 ( -2.497 -2.229 -0.268) 3.358 20.129 ( 0.151 -0.242 -0.201) 0.348 20.218 ( 0.629 -0.595 3.851) 3.947 20.367 ( 0.364 -0.020 -0.519) 0.634 20.427 ( -0.081 0.668 0.595) 0.898 20.554 ( 0.672 -0.168 1.977) 2.095 20.728 ( -0.259 -3.055 -3.647) 4.765 ======================= Grid point 299 (57/68) ======================= q-point: (-0.09 0.18 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -10.879 18.843 -10.287) 24.068 1.578 ( -6.166 10.679 24.525) 27.451 1.618 ( -12.631 21.878 8.965) 26.806 2.166 ( -4.062 7.036 -21.809) 23.273 2.525 ( -26.615 46.098 7.997) 53.826 2.772 ( -20.675 35.809 -3.196) 41.473 4.544 ( 4.919 -8.519 6.247) 11.653 4.726 ( 7.130 -12.350 -8.671) 16.690 4.791 ( 2.492 -4.317 -3.332) 5.996 5.027 ( 2.336 -4.046 7.471) 8.812 5.098 ( 0.322 -0.558 2.425) 2.509 5.413 ( 0.702 -1.216 11.666) 11.750 5.626 ( 0.594 -1.028 -10.082) 10.151 5.763 ( 1.223 -2.118 -9.861) 10.160 6.111 ( 4.447 -7.702 4.013) 9.757 6.242 ( 4.901 -8.489 -1.869) 9.979 6.433 ( 5.792 -10.031 0.692) 11.604 6.600 ( 0.759 -1.315 0.652) 1.653 6.624 ( 1.303 -2.256 9.206) 9.567 6.839 ( 4.716 -8.168 -8.286) 12.555 7.245 ( -1.779 3.082 0.315) 3.572 7.322 ( 0.425 -0.737 -1.071) 1.368 7.378 ( -2.820 4.885 -0.586) 5.671 7.471 ( -1.064 1.842 5.362) 5.769 8.983 ( 2.126 -3.682 4.747) 6.373 9.034 ( 3.514 -6.087 -4.202) 8.189 9.080 ( 2.365 -4.097 2.570) 5.384 9.140 ( 2.480 -4.296 -3.449) 6.041 9.329 ( 4.183 -7.245 0.775) 8.401 9.435 ( 3.623 -6.275 -0.400) 7.257 9.976 ( 1.281 -2.218 1.756) 3.106 10.016 ( 0.084 -0.145 -1.999) 2.006 10.121 ( -0.230 0.398 -1.357) 1.433 10.131 ( -0.911 1.578 1.063) 2.110 10.711 ( -13.624 23.597 6.848) 28.095 10.897 ( -9.917 17.176 -8.636) 21.632 13.396 ( -1.629 2.821 3.876) 5.063 13.579 ( -3.271 5.666 -1.093) 6.633 13.661 ( -7.152 12.387 -4.946) 15.134 13.718 ( -7.371 12.767 1.745) 14.845 14.867 ( 2.164 -3.749 0.855) 4.412 14.968 ( 1.366 -2.367 -0.567) 2.791 15.989 ( -18.584 32.189 14.758) 39.991 16.279 ( -12.960 22.447 -18.731) 31.980 17.113 ( 0.014 -0.025 1.539) 1.539 17.158 ( -2.194 3.801 1.338) 4.588 17.205 ( -1.979 3.427 -2.991) 4.961 17.232 ( -2.075 3.593 4.250) 5.940 17.285 ( -3.008 5.210 -1.359) 6.167 17.328 ( -5.852 10.137 -17.822) 21.322 18.825 ( -2.383 4.128 0.537) 4.797 18.832 ( -2.295 3.976 -0.599) 4.629 19.950 ( 6.671 -11.554 9.714) 16.503 19.977 ( 6.380 -11.050 -4.363) 13.484 20.168 ( 0.694 -1.202 0.012) 1.388 20.233 ( -0.219 0.380 -1.312) 1.384 20.339 ( -0.568 0.985 1.224) 1.671 20.342 ( -0.269 0.466 -1.014) 1.148 20.861 ( 4.170 -7.223 -2.193) 8.624 20.892 ( 3.964 -6.865 1.866) 8.144 ======================= Grid point 303 (58/68) ======================= q-point: ( 0.27 0.27 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 2.785 4.824 -5.185) 7.610 2.851 ( 9.467 16.398 5.349) 19.676 3.618 ( 13.836 23.964 -0.756) 27.682 3.729 ( 10.344 17.917 1.013) 20.713 3.759 ( 0.672 1.164 -0.077) 1.346 4.016 ( -4.865 -8.427 4.700) 10.806 4.080 ( 0.907 1.571 -1.959) 2.670 4.471 ( -3.499 -6.061 -1.609) 7.181 4.507 ( 2.727 4.724 -1.838) 5.756 4.895 ( 3.341 5.786 4.426) 8.014 5.112 ( -8.943 -15.490 -0.849) 17.907 5.395 ( -5.398 -9.349 1.127) 10.854 5.421 ( 3.487 6.040 2.619) 7.450 5.640 ( 0.640 1.109 -5.884) 6.022 5.850 ( 2.163 3.747 -4.455) 6.211 5.885 ( -6.776 -11.736 0.858) 13.578 6.088 ( -2.024 -3.505 -1.300) 4.251 6.195 ( -6.322 -10.950 3.835) 13.213 6.836 ( 13.486 23.358 -0.383) 26.974 7.082 ( 1.197 2.074 -5.417) 5.923 7.134 ( -0.889 -1.539 1.476) 2.311 7.325 ( -0.009 -0.016 4.036) 4.036 7.728 ( -7.584 -13.136 -0.591) 15.180 7.776 ( 1.565 2.710 2.790) 4.192 8.164 ( 2.062 3.572 2.365) 4.755 8.378 ( -2.842 -4.923 -2.771) 6.324 8.438 ( -1.972 -3.416 5.599) 6.849 8.516 ( -3.629 -6.286 -7.260) 10.266 9.266 ( 4.637 8.032 -1.164) 9.348 9.270 ( 3.480 6.028 0.540) 6.982 9.801 ( -2.656 -4.601 0.709) 5.360 9.817 ( -1.624 -2.813 0.133) 3.251 10.070 ( -3.227 -5.590 0.839) 6.509 10.183 ( -2.340 -4.053 -0.105) 4.681 11.548 ( 1.601 2.774 0.448) 3.234 11.554 ( 1.300 2.252 -0.653) 2.681 13.651 ( 0.825 1.430 -0.582) 1.751 13.704 ( -0.435 -0.753 0.650) 1.085 14.768 ( 2.813 4.873 0.515) 5.650 14.851 ( 1.546 2.677 0.346) 3.111 14.903 ( 8.245 14.280 2.042) 16.615 15.046 ( 5.813 10.068 -2.362) 11.863 15.766 ( -8.491 -14.707 7.879) 18.720 16.040 ( -7.033 -12.182 -9.661) 17.065 17.293 ( 0.321 0.557 -0.841) 1.059 17.448 ( 1.539 2.665 2.852) 4.196 17.781 ( 3.604 6.243 -0.231) 7.212 17.850 ( 2.285 3.958 1.967) 4.976 17.880 ( 2.879 4.987 9.215) 10.867 18.139 ( 0.915 1.584 -9.371) 9.548 18.892 ( -1.817 -3.148 1.866) 4.086 18.999 ( -2.060 -3.569 -5.316) 6.726 19.111 ( 0.468 0.810 -0.812) 1.239 19.164 ( -2.678 -4.639 -0.557) 5.386 20.132 ( 0.338 0.586 0.781) 1.033 20.201 ( -0.450 -0.780 4.033) 4.132 20.364 ( 0.226 0.391 -0.601) 0.752 20.431 ( 0.257 0.445 0.615) 0.802 20.550 ( 0.676 1.171 0.806) 1.575 20.712 ( -2.177 -3.771 -3.256) 5.437 ======================= Grid point 304 (59/68) ======================= q-point: ( 0.36 0.27 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( 0.078 -0.135 -4.131) 4.134 3.051 ( -3.499 6.060 3.855) 7.989 3.744 ( -5.455 9.448 1.437) 11.004 3.761 ( -2.147 3.719 -0.530) 4.326 3.944 ( -10.427 18.059 -1.333) 20.896 3.956 ( -5.524 9.568 3.486) 11.585 4.260 ( -2.175 3.768 -1.217) 4.518 4.350 ( 2.193 -3.799 0.729) 4.447 4.628 ( 2.812 -4.871 1.393) 5.794 4.814 ( 9.892 -17.133 0.566) 19.791 5.031 ( -4.152 7.192 -1.478) 8.435 5.281 ( 6.128 -10.613 -1.088) 12.303 5.526 ( -2.665 4.615 0.100) 5.330 5.626 ( 0.716 -1.240 -4.004) 4.252 5.712 ( 5.715 -9.898 0.157) 11.430 5.912 ( -0.715 1.238 -1.309) 1.938 5.993 ( -0.664 1.151 0.982) 1.652 6.097 ( 4.955 -8.582 3.239) 10.425 7.062 ( -1.556 2.695 -7.112) 7.763 7.094 ( 1.241 -2.150 -3.209) 4.057 7.193 ( -4.935 8.547 6.503) 11.819 7.433 ( 2.251 -3.898 2.159) 4.992 7.434 ( 3.188 -5.522 0.450) 6.392 7.795 ( -0.760 1.316 4.573) 4.819 8.253 ( -2.146 3.716 -1.024) 4.412 8.313 ( -0.943 1.634 2.612) 3.222 8.413 ( 1.874 -3.246 4.701) 6.012 8.425 ( 0.445 -0.771 -11.427) 11.462 9.359 ( -2.646 4.582 0.082) 5.292 9.391 ( -1.228 2.126 -0.377) 2.484 9.661 ( -7.132 12.353 1.805) 14.378 9.770 ( -7.154 12.391 -0.541) 14.318 10.008 ( 9.388 -16.260 0.575) 18.784 10.179 ( 9.753 -16.892 0.001) 19.506 11.576 ( -0.668 1.157 -0.483) 1.421 11.577 ( -0.546 0.945 0.371) 1.153 13.671 ( -0.291 0.504 -0.290) 0.650 13.688 ( 0.261 -0.452 0.353) 0.630 14.804 ( -5.817 10.075 0.821) 11.663 14.871 ( -3.263 5.651 -0.518) 6.546 15.144 ( -0.649 1.125 0.668) 1.460 15.171 ( -0.001 0.001 -0.341) 0.341 15.554 ( 4.711 -8.159 8.759) 12.863 15.884 ( 3.162 -5.477 -10.313) 12.098 17.299 ( 0.385 -0.667 -2.105) 2.242 17.478 ( -0.653 1.131 3.070) 3.336 17.864 ( -2.357 4.082 1.796) 5.044 17.870 ( -1.432 2.480 1.737) 3.350 17.936 ( 0.218 -0.377 7.675) 7.688 18.154 ( 0.199 -0.345 -7.376) 7.387 18.881 ( 0.183 -0.316 -1.732) 1.770 18.924 ( 1.359 -2.354 -5.523) 6.155 19.119 ( -0.170 0.295 -0.054) 0.345 19.128 ( 0.249 -0.431 0.874) 1.006 20.142 ( -0.764 1.324 1.537) 2.167 20.188 ( 1.089 -1.887 3.661) 4.260 20.369 ( -0.061 0.105 -0.774) 0.783 20.435 ( -0.088 0.152 0.684) 0.706 20.577 ( -1.183 2.050 -0.367) 2.395 20.658 ( 1.924 -3.332 -2.212) 4.438 ======================= Grid point 310 (60/68) ======================= q-point: (-0.18 0.27 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -9.692 13.425 19.671) 25.712 1.879 ( -13.337 23.076 -4.901) 27.100 2.021 ( -9.782 17.028 -2.870) 19.846 2.323 ( -4.159 15.297 -10.143) 18.820 3.518 ( -27.247 25.727 2.245) 37.541 3.573 ( -36.661 31.780 -0.339) 48.520 4.378 ( 4.103 -7.558 5.462) 10.188 4.456 ( 6.845 -14.358 -7.943) 17.779 4.791 ( -2.448 6.824 -0.473) 7.265 4.840 ( 11.371 -0.469 3.639) 11.948 5.093 ( -2.289 -11.229 2.893) 11.819 5.358 ( 2.465 -1.387 14.671) 14.941 5.597 ( 3.798 -0.082 -10.768) 11.418 5.757 ( 0.213 4.691 -11.872) 12.767 5.944 ( 5.224 -7.057 0.910) 8.827 6.053 ( 9.871 -3.181 -0.057) 10.371 6.239 ( 0.295 -12.723 0.663) 12.743 6.468 ( 6.635 -3.848 -3.201) 8.311 6.665 ( -3.374 0.258 5.609) 6.551 6.771 ( 0.888 -1.191 -0.699) 1.642 7.281 ( -0.857 -2.208 -0.798) 2.500 7.374 ( -3.440 5.860 0.230) 6.799 7.456 ( -1.562 0.404 1.507) 2.208 7.537 ( -2.964 6.668 1.239) 7.402 8.854 ( 6.650 -9.025 -0.441) 11.219 8.886 ( 2.779 -8.451 2.420) 9.219 8.997 ( 6.251 0.723 -0.450) 6.309 9.071 ( 1.990 -0.609 -2.698) 3.407 9.161 ( 2.246 -13.399 -0.124) 13.586 9.240 ( 5.255 -16.917 1.902) 17.816 9.734 ( 20.881 11.769 -0.778) 23.982 9.879 ( 22.256 12.318 0.247) 25.439 10.241 ( -20.443 -10.253 0.212) 22.871 10.386 ( -19.967 -8.393 -0.768) 21.673 11.084 ( -6.833 14.489 4.131) 16.543 11.172 ( -6.340 10.423 -3.829) 12.786 13.468 ( -3.280 2.139 2.694) 4.752 13.654 ( -0.292 4.350 -2.452) 5.002 13.974 ( -11.932 13.042 -2.448) 17.846 14.039 ( -11.942 14.437 2.580) 18.913 14.797 ( 0.835 -3.937 0.158) 4.028 14.897 ( 3.674 -1.660 -0.085) 4.032 16.454 ( -3.253 4.077 1.199) 5.352 16.460 ( -1.847 1.894 0.973) 2.819 17.199 ( -6.861 7.109 8.857) 13.269 17.263 ( -3.041 3.958 2.025) 5.387 17.277 ( -3.853 4.393 -1.463) 6.023 17.327 ( -3.856 4.953 6.397) 8.962 17.422 ( -4.847 8.338 0.906) 9.687 17.622 ( -11.393 10.824 -28.134) 32.226 18.919 ( -3.101 3.443 0.125) 4.636 18.921 ( -3.311 3.561 0.159) 4.865 19.663 ( 11.965 -9.900 11.859) 19.540 19.703 ( 9.414 -13.958 -7.276) 18.341 20.153 ( -0.255 -0.998 -0.066) 1.032 20.239 ( 0.467 1.360 -1.875) 2.363 20.352 ( -0.656 -0.113 -0.940) 1.152 20.360 ( -0.599 1.123 1.041) 1.644 20.752 ( 1.389 -4.960 -4.961) 7.151 20.769 ( 4.015 -2.675 4.557) 6.636 ======================= Grid point 322 (61/68) ======================= q-point: (-0.27 0.36 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( -14.422 12.981 13.156) 23.443 2.294 ( -7.020 22.484 -1.057) 23.578 2.339 ( -5.689 17.363 -7.218) 19.645 2.604 ( -2.354 24.717 -4.126) 25.170 3.999 ( -8.672 0.418 3.996) 9.558 4.151 ( 3.924 -6.081 -4.488) 8.516 4.262 ( -4.840 -5.855 -0.410) 7.607 4.499 ( -14.744 8.122 1.284) 16.883 4.719 ( -9.459 0.043 -2.924) 9.901 4.896 ( 2.395 -6.081 -1.841) 6.790 5.108 ( -9.548 13.599 9.593) 19.187 5.300 ( 3.828 1.100 10.111) 10.868 5.497 ( 5.190 -0.538 -5.797) 7.799 5.732 ( 7.024 -6.083 -4.439) 10.297 5.867 ( 0.601 2.446 -4.381) 5.053 5.935 ( -0.512 7.369 -2.170) 7.699 6.151 ( -2.263 -9.181 -0.216) 9.458 6.336 ( 3.270 -4.630 -3.326) 6.572 6.721 ( -1.940 0.658 4.275) 4.740 6.744 ( -0.957 -1.280 1.050) 1.913 7.274 ( -2.510 -3.904 0.244) 4.648 7.453 ( -0.758 0.857 -0.024) 1.145 7.537 ( -5.124 5.067 -0.483) 7.223 7.673 ( -2.796 8.405 0.830) 8.896 8.607 ( 8.427 -12.751 -0.160) 15.285 8.740 ( 3.817 -8.802 2.735) 9.976 8.793 ( 11.354 -11.761 -2.571) 16.548 8.888 ( 10.445 -18.034 0.244) 20.842 9.058 ( 1.972 0.111 1.213) 2.318 9.066 ( 0.856 3.251 -0.580) 3.411 9.520 ( 15.445 9.181 -2.060) 18.085 9.611 ( 20.824 10.910 1.570) 23.562 10.488 ( -18.522 -10.027 0.498) 21.068 10.641 ( -17.666 -8.014 -1.097) 19.429 11.281 ( -2.467 9.511 2.480) 10.134 11.356 ( -4.073 7.681 -1.861) 8.890 13.546 ( -2.849 1.945 1.834) 3.907 13.690 ( 0.502 3.087 -2.011) 3.719 14.281 ( -6.612 10.360 -0.376) 12.296 14.374 ( -7.081 12.616 1.535) 14.548 14.806 ( -6.705 -0.330 -1.733) 6.933 14.850 ( -1.261 0.880 1.188) 1.943 16.309 ( 8.320 -7.495 7.759) 13.624 16.426 ( 5.679 -7.537 -8.340) 12.595 17.326 ( -3.643 0.947 -1.165) 3.940 17.388 ( -5.356 1.110 -0.635) 5.506 17.418 ( -4.031 7.267 0.053) 8.310 17.497 ( -4.497 10.612 9.061) 14.661 17.635 ( -8.151 10.386 10.652) 16.964 17.889 ( -8.961 6.004 -21.310) 23.884 18.986 ( -1.858 0.558 1.165) 2.263 19.011 ( -2.715 2.854 0.734) 4.007 19.362 ( 11.302 -6.981 8.810) 15.940 19.387 ( 9.814 -13.174 -7.159) 17.920 20.153 ( -0.556 -0.685 -0.810) 1.198 20.247 ( 0.574 2.106 -2.129) 3.050 20.362 ( -0.759 -0.410 -0.540) 1.017 20.384 ( -0.653 1.418 0.693) 1.709 20.688 ( 2.346 -1.189 4.881) 5.544 20.704 ( 0.017 -3.791 -3.974) 5.493 ======================= Grid point 323 (62/68) ======================= q-point: (-0.18 0.36 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -9.162 15.870 13.873) 22.984 2.309 ( -8.160 14.133 -10.848) 19.596 2.454 ( -16.863 29.207 -3.217) 33.878 2.773 ( -13.836 23.965 1.447) 27.710 3.883 ( -7.268 12.589 3.463) 14.944 4.147 ( 6.671 -11.554 -5.929) 14.599 4.214 ( 4.269 -7.394 2.472) 8.889 4.239 ( -14.451 25.029 -2.503) 29.010 4.776 ( 2.281 -3.950 3.446) 5.717 4.842 ( 5.740 -9.943 -5.623) 12.784 5.093 ( -9.536 16.516 8.535) 20.894 5.339 ( 0.218 -0.378 15.400) 15.406 5.556 ( 2.209 -3.826 -9.885) 10.827 5.820 ( 3.271 -5.666 -3.765) 7.548 5.867 ( 1.506 -2.608 -7.544) 8.123 5.973 ( -0.161 0.279 -2.009) 2.035 6.049 ( 0.116 -0.201 1.311) 1.332 6.330 ( 4.620 -8.002 -4.818) 10.420 6.714 ( -2.249 3.896 8.252) 9.398 6.725 ( 2.069 -3.584 -0.693) 4.196 7.229 ( 1.324 -2.292 -0.405) 2.678 7.443 ( 0.801 -1.388 0.925) 1.851 7.527 ( -4.879 8.450 -0.578) 9.775 7.691 ( -4.483 7.764 0.459) 8.977 8.613 ( 8.155 -14.125 -2.235) 16.462 8.718 ( 4.518 -7.826 4.810) 10.237 8.860 ( 7.199 -12.468 -4.115) 14.974 8.860 ( 9.862 -17.082 1.205) 19.762 9.077 ( -0.291 0.504 -0.345) 0.676 9.085 ( -1.394 2.414 1.660) 3.244 9.962 ( 0.727 -1.260 -0.124) 1.460 9.971 ( 1.411 -2.444 -1.458) 3.176 10.161 ( -0.193 0.334 0.145) 0.412 10.190 ( -1.174 2.034 0.521) 2.406 11.324 ( -5.023 8.700 2.207) 10.285 11.353 ( -4.315 7.474 -1.749) 8.805 13.531 ( -2.043 3.539 1.219) 4.264 13.711 ( -0.822 1.424 -0.724) 1.797 14.295 ( -9.876 17.105 -4.867) 20.342 14.361 ( -9.413 16.304 4.679) 19.399 14.737 ( 0.758 -1.313 -0.121) 1.521 14.849 ( 1.421 -2.461 0.463) 2.879 16.344 ( 5.284 -9.153 7.380) 12.890 16.435 ( 4.292 -7.433 -7.628) 11.483 17.300 ( -0.749 1.297 -2.340) 2.778 17.338 ( -3.107 5.381 -0.888) 6.276 17.421 ( -4.798 8.310 1.616) 9.731 17.510 ( -6.429 11.135 11.922) 17.534 17.619 ( -6.119 10.599 7.663) 14.440 17.838 ( -5.470 9.474 -22.485) 25.005 18.971 ( -0.948 1.642 0.952) 2.122 19.001 ( -2.101 3.640 0.907) 4.300 19.405 ( 8.425 -14.593 -7.742) 18.544 19.433 ( 6.790 -11.761 10.218) 16.995 20.145 ( -0.092 0.159 -1.334) 1.346 20.263 ( -0.608 1.053 -2.419) 2.708 20.352 ( -0.094 0.162 -0.784) 0.806 20.386 ( -0.762 1.320 0.903) 1.771 20.669 ( 1.875 -3.248 -5.863) 6.960 20.716 ( 1.464 -2.536 6.931) 7.524 ======================= Grid point 334 (63/68) ======================= q-point: (-0.36 0.45 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( -7.435 13.016 4.142) 15.552 2.537 ( 6.081 22.971 0.148) 23.763 2.607 ( -6.194 14.804 0.712) 16.063 2.875 ( -2.046 20.516 -5.531) 21.347 3.872 ( 6.942 -7.262 2.772) 10.421 3.999 ( 7.354 -4.546 -1.784) 8.828 4.442 ( -11.817 -4.021 -0.371) 12.488 4.514 ( -0.325 -2.430 3.476) 4.254 4.737 ( -1.669 -4.679 -1.712) 5.254 4.913 ( 8.546 -0.827 -3.004) 9.096 5.362 ( -3.379 6.082 4.011) 8.031 5.429 ( -0.315 1.613 -3.785) 4.127 5.499 ( -17.100 -2.033 0.018) 17.220 5.577 ( 1.930 -3.963 3.294) 5.502 5.829 ( 0.089 0.270 2.039) 2.059 6.064 ( 1.065 -1.165 -0.678) 1.718 6.210 ( -7.055 6.889 -0.818) 9.894 6.264 ( -0.867 -3.816 -4.219) 5.755 6.777 ( -8.735 -1.440 -6.389) 10.918 6.845 ( -5.459 7.947 8.548) 12.885 7.299 ( -5.095 -3.925 0.333) 6.440 7.475 ( -2.842 -2.041 -0.817) 3.593 7.665 ( -1.971 5.570 -2.097) 6.269 7.761 ( 2.558 3.781 1.914) 4.950 8.314 ( 8.602 -10.627 -0.865) 13.700 8.378 ( 16.737 -13.114 2.531) 21.412 8.555 ( 6.462 -9.314 1.387) 11.421 8.629 ( 4.595 -5.171 -3.456) 7.732 9.071 ( 0.380 6.315 2.408) 6.769 9.118 ( -0.195 7.237 -1.464) 7.386 9.358 ( 10.949 3.678 -2.009) 11.724 9.379 ( 14.646 6.326 2.120) 16.094 10.672 ( -14.167 -11.570 0.710) 18.305 10.829 ( -13.199 -9.562 -1.408) 16.360 11.385 ( -0.079 6.561 2.476) 7.014 11.471 ( -1.366 5.276 -1.699) 5.708 13.603 ( -1.448 1.625 1.603) 2.703 13.702 ( 0.747 1.603 -1.809) 2.530 14.384 ( 2.345 6.035 -0.104) 6.476 14.475 ( 4.692 7.216 0.734) 8.638 15.018 ( -11.462 5.875 3.269) 13.288 15.042 ( -13.454 4.473 -3.248) 14.546 16.055 ( 9.495 -8.732 9.606) 16.084 16.199 ( 7.563 -10.460 -9.777) 16.193 17.394 ( -4.269 -1.691 -1.161) 4.736 17.459 ( -2.317 -0.126 -1.534) 2.782 17.549 ( -1.458 8.008 -0.308) 8.146 17.633 ( 0.510 8.979 3.041) 9.494 17.863 ( -6.493 6.310 12.310) 15.281 18.074 ( -6.697 3.007 -14.606) 16.347 18.968 ( 2.460 -3.862 5.278) 6.987 19.070 ( -1.276 1.619 0.592) 2.144 19.116 ( 6.602 -9.561 -4.622) 12.505 19.169 ( 4.354 -1.482 1.668) 4.892 20.155 ( -0.408 -0.596 -1.591) 1.747 20.259 ( 0.901 2.656 -2.430) 3.711 20.370 ( -0.680 -0.587 0.008) 0.898 20.409 ( -0.323 1.378 0.177) 1.426 20.650 ( 1.132 -0.338 6.904) 7.004 20.675 ( -1.290 -4.186 -4.535) 6.305 ======================= Grid point 335 (64/68) ======================= q-point: (-0.27 0.45 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( -10.714 12.991 7.666) 18.502 2.626 ( -9.608 15.493 -7.044) 19.544 2.950 ( 0.316 34.676 -0.183) 34.678 3.209 ( -1.976 30.842 -0.519) 30.910 3.888 ( 5.140 -8.735 -0.848) 10.171 4.021 ( 1.074 -5.368 6.360) 8.391 4.194 ( -9.297 0.067 -5.088) 10.598 4.510 ( -2.353 -4.436 4.543) 6.772 4.609 ( 2.273 -9.389 -3.034) 10.125 4.890 ( -9.759 3.405 -6.615) 12.272 5.305 ( 2.489 -3.119 7.574) 8.561 5.394 ( -6.123 10.796 8.244) 14.900 5.475 ( 3.521 -0.838 -7.635) 8.450 5.603 ( 7.507 -6.424 2.688) 10.239 5.785 ( -2.916 -6.499 -3.289) 7.846 6.058 ( 1.577 0.231 0.159) 1.602 6.155 ( -1.933 -4.144 -0.102) 4.574 6.230 ( -3.373 6.118 -4.324) 8.216 6.669 ( -2.304 -0.778 -6.293) 6.747 6.828 ( -4.755 7.001 9.471) 12.701 7.202 ( -1.504 -2.694 -0.806) 3.189 7.412 ( -0.356 -2.941 -0.086) 2.964 7.695 ( -3.569 8.250 -1.981) 9.205 7.813 ( -0.618 3.256 1.263) 3.547 8.321 ( 6.830 -12.496 -2.846) 14.523 8.486 ( 11.598 -15.032 6.089) 19.939 8.566 ( 4.600 -7.518 2.950) 9.294 8.654 ( 4.933 -6.944 -5.632) 10.211 9.113 ( -1.418 4.408 0.684) 4.680 9.158 ( -2.162 5.281 0.086) 5.707 9.710 ( 19.225 8.535 -1.825) 21.113 9.813 ( 21.181 7.534 1.428) 22.526 10.250 ( -16.577 -11.891 -0.799) 20.416 10.406 ( -18.928 -13.721 0.491) 23.383 11.448 ( -0.969 6.411 1.192) 6.593 11.484 ( -3.061 4.704 -0.736) 5.660 13.598 ( -1.685 2.742 0.511) 3.259 13.721 ( 0.380 0.165 -0.309) 0.517 14.549 ( 3.170 15.073 -2.105) 15.546 14.644 ( 0.397 13.529 2.454) 13.756 14.822 ( -13.218 2.023 -2.301) 13.569 14.871 ( -9.132 1.481 2.310) 9.535 16.109 ( 8.348 -11.734 9.176) 17.076 16.215 ( 7.723 -12.689 -8.848) 17.289 17.323 ( -1.713 -0.982 -1.933) 2.764 17.435 ( -2.555 3.497 -2.693) 5.100 17.594 ( -3.965 9.361 1.076) 10.223 17.708 ( -3.180 9.577 4.085) 10.887 17.826 ( -5.634 7.799 11.540) 15.024 18.003 ( -5.121 4.747 -15.549) 17.045 18.967 ( 1.496 -2.932 4.902) 5.905 19.058 ( -0.808 0.490 1.020) 1.391 19.132 ( 6.345 -10.071 -5.892) 13.281 19.226 ( 5.226 -5.422 4.197) 8.622 20.154 ( -0.159 0.866 -2.688) 2.829 20.284 ( -0.377 1.396 -3.083) 3.406 20.357 ( -0.361 -0.039 -0.341) 0.498 20.413 ( -0.701 1.303 0.570) 1.586 20.614 ( 0.237 -3.886 -4.192) 5.721 20.666 ( 1.507 -1.947 7.237) 7.644 ======================= Grid point 344 (65/68) ======================= q-point: (-0.45 0.55 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( 12.636 21.885 1.859) 25.339 2.637 ( 10.342 17.913 -2.237) 20.805 2.770 ( -1.054 -1.826 2.926) 3.606 3.032 ( 5.864 10.157 -3.156) 12.145 3.757 ( 0.495 0.857 4.803) 4.904 3.874 ( 0.350 0.607 -4.965) 5.014 4.498 ( -4.310 -7.465 3.215) 9.200 4.538 ( -2.584 -4.476 3.023) 5.988 4.747 ( 1.874 3.246 1.593) 4.073 4.814 ( 0.282 0.489 -8.305) 8.324 5.382 ( 1.139 1.973 5.071) 5.560 5.400 ( -1.801 -3.119 -4.797) 5.998 5.585 ( -0.495 -0.858 6.204) 6.283 5.618 ( -3.103 -5.374 -7.014) 9.365 5.913 ( -1.368 -2.370 1.578) 3.159 6.002 ( -2.194 -3.800 2.187) 4.903 6.236 ( -3.962 -6.862 -2.478) 8.302 6.327 ( 0.928 1.607 2.141) 2.834 6.903 ( -3.026 -5.242 -8.352) 10.314 7.003 ( 2.610 4.520 8.120) 9.653 7.357 ( -3.356 -5.812 -1.263) 6.829 7.521 ( -1.536 -2.660 0.045) 3.072 7.638 ( -0.985 -1.706 1.758) 2.640 7.715 ( 2.748 4.760 -3.642) 6.593 8.105 ( -0.065 -0.112 3.231) 3.234 8.209 ( 2.747 4.758 -0.474) 5.514 8.427 ( -2.589 -4.485 1.049) 5.284 8.563 ( -0.497 -0.861 -2.905) 3.071 9.142 ( 5.736 9.935 2.207) 11.682 9.191 ( 5.644 9.776 -1.895) 11.447 9.228 ( 1.912 3.312 3.526) 5.202 9.257 ( 1.187 2.056 -2.546) 3.481 10.740 ( -8.414 -14.573 0.808) 16.847 10.899 ( -7.305 -12.653 -1.561) 14.693 11.419 ( 2.582 4.472 2.589) 5.776 11.511 ( 1.793 3.106 -1.737) 3.985 13.626 ( 0.488 0.846 1.753) 2.007 13.702 ( 0.526 0.911 -1.940) 2.207 14.388 ( 3.483 6.032 -0.146) 6.967 14.458 ( 4.257 7.373 0.506) 8.529 15.197 ( -0.403 -0.699 1.569) 1.764 15.218 ( -0.691 -1.196 -1.274) 1.879 15.891 ( -1.562 -2.705 10.706) 11.152 16.046 ( -3.087 -5.347 -10.721) 12.371 17.428 ( -2.825 -4.893 -0.711) 5.695 17.476 ( -0.011 -0.020 -2.213) 2.213 17.610 ( 3.702 6.412 -0.085) 7.404 17.670 ( 4.078 7.064 1.552) 8.303 17.959 ( 0.498 0.863 11.618) 11.661 18.159 ( -0.576 -0.997 -12.379) 12.432 18.902 ( -1.275 -2.208 4.983) 5.597 18.999 ( -1.918 -3.322 -2.135) 4.390 19.090 ( 0.335 0.580 0.460) 0.813 19.137 ( 0.340 0.590 -0.499) 0.844 20.155 ( -0.330 -0.572 -1.846) 1.961 20.265 ( 1.556 2.695 -2.604) 4.058 20.373 ( -0.450 -0.780 0.222) 0.927 20.419 ( 0.547 0.947 -0.128) 1.101 20.639 ( -0.002 -0.004 7.180) 7.180 20.665 ( -2.314 -4.009 -4.148) 6.215 ======================= Grid point 346 (66/68) ======================= q-point: (-0.36 0.55 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( -6.458 4.453 2.820) 8.336 2.897 ( -1.778 12.999 -2.740) 13.403 3.160 ( 14.265 33.614 1.458) 36.544 3.399 ( 12.480 27.505 -1.850) 30.260 3.803 ( 1.734 2.007 2.484) 3.633 3.917 ( 4.934 -2.713 -1.521) 5.832 4.305 ( -8.246 -8.148 -0.620) 11.609 4.440 ( -1.639 -4.055 2.088) 4.847 4.721 ( -10.700 1.064 -2.698) 11.086 4.883 ( 8.446 -0.845 1.158) 8.567 5.245 ( -5.729 -15.115 -4.047) 16.663 5.399 ( 1.172 -3.789 4.024) 5.650 5.526 ( -1.869 2.490 -4.020) 5.085 5.549 ( -2.303 -0.009 2.677) 3.532 5.843 ( -6.459 1.607 1.055) 6.740 5.985 ( 3.517 -2.978 -0.629) 4.651 6.055 ( -0.616 -13.661 -1.639) 13.773 6.290 ( -2.485 -5.204 3.340) 6.665 6.839 ( -5.124 7.439 -4.495) 10.090 7.004 ( -5.806 4.734 6.927) 10.203 7.243 ( -4.696 -0.412 -3.507) 5.875 7.427 ( -5.214 -0.459 -0.329) 5.245 7.676 ( 9.846 -9.605 0.922) 13.786 7.803 ( 0.460 5.499 -3.931) 6.775 8.161 ( 6.913 -4.330 4.885) 9.508 8.264 ( -1.753 1.582 1.051) 2.585 8.403 ( 5.657 -5.688 1.350) 8.135 8.553 ( 1.315 -2.402 -4.431) 5.209 9.226 ( -3.231 8.440 0.547) 9.054 9.267 ( -2.693 6.791 0.194) 7.308 9.485 ( 14.981 8.415 -1.863) 17.283 9.525 ( 18.455 8.205 2.038) 20.299 10.375 ( -13.396 -16.582 -0.802) 21.332 10.543 ( -14.084 -17.292 0.399) 22.306 11.502 ( 1.086 4.474 1.229) 4.766 11.552 ( -0.433 2.627 -0.755) 2.768 13.641 ( -0.421 1.721 0.565) 1.859 13.710 ( 0.351 -0.548 -0.547) 0.850 14.581 ( 6.701 12.281 -1.481) 14.069 14.657 ( 7.098 10.339 1.582) 12.640 15.115 ( -10.410 3.480 0.587) 10.992 15.124 ( -10.567 3.189 -0.259) 11.041 15.855 ( 4.970 -10.344 10.432) 15.508 15.959 ( 3.821 -12.363 -9.752) 16.203 17.338 ( -2.194 -2.960 -1.296) 3.906 17.492 ( -0.186 2.596 -2.991) 3.965 17.731 ( 0.082 9.120 -0.008) 9.120 17.801 ( 2.330 6.938 0.994) 7.386 17.956 ( -2.458 2.867 10.746) 11.390 18.114 ( -3.725 0.519 -11.292) 11.902 18.876 ( 2.077 -4.414 5.844) 7.612 18.940 ( 1.445 -7.018 -0.715) 7.201 19.103 ( -0.144 1.310 -0.211) 1.335 19.150 ( 1.062 -0.521 -0.188) 1.198 20.163 ( 0.574 1.499 -3.620) 3.960 20.302 ( 0.002 1.221 -3.963) 4.147 20.362 ( -0.252 -0.181 0.016) 0.310 20.432 ( -0.115 0.827 0.047) 0.836 20.585 ( -1.480 -3.886 -1.776) 4.522 20.628 ( 0.232 -2.009 6.855) 7.147 ======================= Grid point 347 (67/68) ======================= q-point: (-0.27 0.55 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( -4.388 7.600 3.030) 9.283 2.933 ( -7.675 13.293 -3.190) 15.677 3.613 ( -14.092 24.408 -0.089) 28.184 3.731 ( -8.912 15.437 0.547) 17.833 3.755 ( 1.018 -1.763 0.171) 2.042 3.953 ( -2.010 3.482 6.203) 7.392 4.194 ( 2.992 -5.183 -9.015) 10.821 4.418 ( 1.523 -2.638 3.938) 4.979 4.512 ( -2.643 4.578 -1.551) 5.509 4.954 ( -1.763 3.054 -0.898) 3.639 5.093 ( 8.875 -15.372 0.291) 17.752 5.375 ( 6.681 -11.571 3.077) 13.711 5.518 ( -1.747 3.026 -7.299) 8.093 5.549 ( -2.599 4.501 3.474) 6.251 5.790 ( -2.446 4.237 1.637) 5.159 5.927 ( 7.260 -12.574 -3.506) 14.937 6.064 ( 1.109 -1.922 1.139) 2.494 6.211 ( 4.377 -7.582 2.204) 9.028 6.840 ( -6.882 11.920 -1.921) 13.898 6.966 ( -2.816 4.878 6.641) 8.708 7.199 ( -2.285 3.958 -4.279) 6.261 7.374 ( -0.054 0.094 -0.991) 0.997 7.720 ( 6.472 -11.210 0.457) 12.952 7.836 ( -2.746 4.757 -3.540) 6.535 8.215 ( -0.948 1.642 -3.138) 3.667 8.237 ( 4.999 -8.658 10.812) 14.725 8.434 ( 3.399 -5.887 2.317) 7.181 8.554 ( 1.683 -2.916 -6.317) 7.158 9.243 ( -4.723 8.181 1.093) 9.510 9.277 ( -3.644 6.311 -0.321) 7.294 9.821 ( 2.111 -3.657 -1.194) 4.388 9.823 ( 1.944 -3.367 -0.381) 3.907 10.086 ( 3.112 -5.389 -0.885) 6.286 10.164 ( 2.689 -4.657 1.937) 5.716 11.541 ( -1.536 2.661 0.696) 3.151 11.555 ( -1.433 2.483 -0.305) 2.883 13.646 ( -1.024 1.773 0.022) 2.048 13.709 ( 0.595 -1.030 0.056) 1.191 14.786 ( -2.720 4.712 -1.355) 5.607 14.842 ( -1.449 2.509 1.101) 3.100 14.955 ( -7.700 13.337 -3.179) 15.725 14.986 ( -6.751 11.693 3.836) 14.036 15.848 ( 7.499 -12.989 10.024) 18.039 15.931 ( 8.156 -14.127 -9.165) 18.711 17.302 ( 0.500 -0.867 -1.403) 1.724 17.506 ( -1.682 2.913 -3.306) 4.716 17.779 ( -4.710 8.158 -0.012) 9.420 17.868 ( -3.113 5.392 1.280) 6.356 17.948 ( -2.343 4.058 9.897) 10.950 18.071 ( -1.094 1.895 -10.767) 10.987 18.875 ( 2.841 -4.922 7.139) 9.124 18.915 ( 4.279 -7.411 -1.462) 8.681 19.108 ( -0.724 1.253 -0.278) 1.474 19.158 ( 0.930 -1.611 -0.004) 1.860 20.185 ( -1.134 1.965 -4.551) 5.085 20.299 ( -0.018 0.031 -5.175) 5.175 20.359 ( -0.086 0.149 -0.115) 0.207 20.435 ( -0.429 0.743 0.286) 0.905 20.550 ( 1.090 -1.888 -0.000) 2.180 20.617 ( 1.494 -2.587 6.630) 7.272 ======================= Grid point 358 (68/68) ======================= q-point: (-0.36 0.64 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 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 2.84e-04 2.84e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 0.180 0.312 0.935) 1.002 3.090 ( 3.017 5.225 -0.291) 6.041 3.727 ( 2.969 5.142 2.468) 6.430 3.752 ( 7.275 12.601 0.466) 14.558 3.931 ( 7.651 13.252 0.312) 15.305 4.053 ( 4.722 8.178 -6.271) 11.336 4.218 ( 3.793 6.570 3.419) 8.321 4.354 ( -2.447 -4.238 0.283) 4.901 4.671 ( -3.559 -6.164 -2.955) 7.706 4.814 ( -7.358 -12.745 1.198) 14.765 5.025 ( 1.656 2.868 -1.487) 3.630 5.233 ( -5.308 -9.193 3.607) 11.212 5.566 ( 1.055 1.827 -4.065) 4.579 5.587 ( 0.644 1.116 0.253) 1.314 5.740 ( -6.547 -11.340 -2.894) 13.411 5.866 ( 0.044 0.077 3.102) 3.104 6.003 ( 1.782 3.087 0.197) 3.570 6.129 ( -4.364 -7.558 0.354) 8.735 6.953 ( 1.699 2.943 3.619) 4.964 7.012 ( -1.175 -2.035 4.677) 5.235 7.308 ( 3.306 5.726 -5.327) 8.491 7.463 ( -1.244 -2.155 -0.519) 2.542 7.474 ( -2.318 -4.014 -3.415) 5.757 7.879 ( 0.933 1.616 -4.014) 4.427 8.144 ( 0.726 1.257 12.253) 12.339 8.291 ( -0.565 -0.979 0.491) 1.233 8.329 ( -0.372 -0.644 0.222) 0.776 8.527 ( -0.235 -0.408 -6.523) 6.540 9.363 ( 2.370 4.106 -0.352) 4.754 9.380 ( 1.659 2.873 0.656) 3.382 9.699 ( 7.228 12.520 -2.054) 14.602 9.748 ( 7.796 13.503 1.894) 15.707 10.031 ( -9.024 -15.629 -1.807) 18.138 10.161 ( -10.751 -18.621 1.944) 21.589 11.566 ( 1.053 1.824 0.511) 2.167 11.582 ( 0.219 0.379 -0.136) 0.458 13.668 ( 0.521 0.903 0.089) 1.047 13.693 ( -0.493 -0.853 -0.095) 0.990 14.824 ( 5.275 9.136 -1.292) 10.628 14.856 ( 3.977 6.888 1.116) 8.031 15.156 ( 0.084 0.146 -0.526) 0.552 15.157 ( 0.241 0.417 0.999) 1.109 15.671 ( -3.490 -6.045 11.486) 13.440 15.739 ( -4.194 -7.263 -10.357) 13.327 17.292 ( -0.725 -1.255 -1.011) 1.767 17.538 ( 0.812 1.407 -3.363) 3.735 17.895 ( 3.123 5.408 -1.242) 6.367 17.903 ( 1.953 3.382 -1.004) 4.032 17.988 ( 0.293 0.507 9.811) 9.828 18.089 ( -1.430 -2.477 -8.047) 8.541 18.815 ( -0.705 -1.220 5.047) 5.240 18.836 ( -1.739 -3.012 1.970) 3.997 19.125 ( 0.441 0.763 -0.376) 0.958 19.141 ( -0.224 -0.388 -0.528) 0.693 20.214 ( 1.773 3.071 -5.651) 6.671 20.293 ( -1.228 -2.126 -6.590) 7.032 20.361 ( 0.012 0.021 0.007) 0.025 20.441 ( 0.059 0.102 0.030) 0.122 20.540 ( -0.074 -0.129 3.213) 3.217 20.580 ( -1.270 -2.200 5.896) 6.420 =================== 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 3/36300 10.0 578.332 578.332 424.851 -0.000 -0.000 0.000 3/36300 20.0 415.810 415.810 253.516 -0.000 -0.000 0.000 3/36300 30.0 279.438 279.438 126.144 -0.000 -0.000 0.000 3/36300 40.0 178.363 178.363 63.312 -0.000 -0.000 0.000 3/36300 50.0 120.377 120.377 36.310 -0.000 -0.000 0.000 3/36300 60.0 87.136 87.136 23.769 -0.000 -0.000 0.000 3/36300 70.0 66.807 66.807 17.175 -0.000 -0.000 0.000 3/36300 80.0 53.550 53.550 13.306 -0.000 -0.000 0.000 3/36300 90.0 44.411 44.411 10.827 -0.000 -0.000 0.000 3/36300 100.0 37.809 37.809 9.124 -0.000 -0.000 0.000 3/36300 110.0 32.852 32.852 7.891 -0.000 -0.000 0.000 3/36300 120.0 29.008 29.008 6.960 -0.000 -0.000 0.000 3/36300 130.0 25.948 25.948 6.233 -0.000 -0.000 0.000 3/36300 140.0 23.457 23.457 5.649 -0.000 -0.000 0.000 3/36300 150.0 21.393 21.393 5.172 -0.000 -0.000 0.000 3/36300 160.0 19.657 19.657 4.773 -0.000 -0.000 0.000 3/36300 170.0 18.178 18.178 4.436 -0.000 -0.000 0.000 3/36300 180.0 16.904 16.904 4.146 -0.000 -0.000 0.000 3/36300 190.0 15.795 15.795 3.895 -0.000 -0.000 0.000 3/36300 200.0 14.822 14.822 3.675 -0.000 -0.000 0.000 3/36300 210.0 13.963 13.963 3.480 -0.000 -0.000 0.000 3/36300 220.0 13.198 13.198 3.306 -0.000 -0.000 0.000 3/36300 230.0 12.513 12.513 3.151 -0.000 -0.000 0.000 3/36300 240.0 11.896 11.896 3.010 -0.000 -0.000 0.000 3/36300 250.0 11.338 11.338 2.883 -0.000 -0.000 0.000 3/36300 260.0 10.831 10.831 2.766 -0.000 -0.000 0.000 3/36300 270.0 10.368 10.368 2.659 -0.000 -0.000 0.000 3/36300 280.0 9.944 9.944 2.561 -0.000 -0.000 0.000 3/36300 290.0 9.554 9.554 2.470 -0.000 -0.000 0.000 3/36300 300.0 9.193 9.193 2.386 -0.000 -0.000 0.000 3/36300 310.0 8.860 8.860 2.308 -0.000 -0.000 0.000 3/36300 320.0 8.551 8.551 2.234 -0.000 -0.000 0.000 3/36300 330.0 8.263 8.263 2.166 -0.000 -0.000 0.000 3/36300 340.0 7.994 7.994 2.102 -0.000 -0.000 0.000 3/36300 350.0 7.742 7.742 2.041 -0.000 -0.000 0.000 3/36300 360.0 7.506 7.506 1.984 -0.000 -0.000 0.000 3/36300 370.0 7.285 7.285 1.931 -0.000 -0.000 0.000 3/36300 380.0 7.077 7.077 1.880 -0.000 -0.000 0.000 3/36300 390.0 6.880 6.880 1.832 -0.000 -0.000 0.000 3/36300 400.0 6.694 6.694 1.786 -0.000 -0.000 0.000 3/36300 410.0 6.519 6.519 1.743 -0.000 -0.000 0.000 3/36300 420.0 6.352 6.352 1.702 -0.000 -0.000 0.000 3/36300 430.0 6.194 6.194 1.662 -0.000 -0.000 0.000 3/36300 440.0 6.044 6.044 1.625 -0.000 -0.000 0.000 3/36300 450.0 5.901 5.901 1.589 -0.000 -0.000 0.000 3/36300 460.0 5.765 5.765 1.555 -0.000 -0.000 0.000 3/36300 470.0 5.635 5.635 1.522 -0.000 -0.000 0.000 3/36300 480.0 5.511 5.511 1.491 -0.000 -0.000 0.000 3/36300 490.0 5.392 5.392 1.461 -0.000 -0.000 0.000 3/36300 500.0 5.279 5.279 1.432 -0.000 -0.000 0.000 3/36300 510.0 5.170 5.170 1.404 -0.000 -0.000 0.000 3/36300 520.0 5.066 5.066 1.377 -0.000 -0.000 0.000 3/36300 530.0 4.966 4.966 1.351 -0.000 -0.000 0.000 3/36300 540.0 4.870 4.870 1.327 -0.000 -0.000 0.000 3/36300 550.0 4.778 4.778 1.303 -0.000 -0.000 0.000 3/36300 560.0 4.689 4.689 1.280 -0.000 -0.000 0.000 3/36300 570.0 4.603 4.603 1.258 -0.000 -0.000 0.000 3/36300 580.0 4.521 4.521 1.236 -0.000 -0.000 0.000 3/36300 590.0 4.441 4.441 1.215 -0.000 -0.000 0.000 3/36300 600.0 4.365 4.365 1.195 -0.000 -0.000 0.000 3/36300 610.0 4.290 4.290 1.176 -0.000 -0.000 0.000 3/36300 620.0 4.219 4.219 1.157 -0.000 -0.000 0.000 3/36300 630.0 4.150 4.150 1.139 -0.000 -0.000 0.000 3/36300 640.0 4.083 4.083 1.121 -0.000 -0.000 0.000 3/36300 650.0 4.018 4.018 1.104 -0.000 -0.000 0.000 3/36300 660.0 3.955 3.955 1.088 -0.000 -0.000 0.000 3/36300 670.0 3.895 3.895 1.072 -0.000 -0.000 0.000 3/36300 680.0 3.836 3.836 1.056 -0.000 -0.000 0.000 3/36300 690.0 3.779 3.779 1.041 -0.000 -0.000 0.000 3/36300 700.0 3.723 3.723 1.026 -0.000 -0.000 0.000 3/36300 710.0 3.670 3.670 1.012 -0.000 -0.000 0.000 3/36300 720.0 3.617 3.617 0.998 -0.000 -0.000 0.000 3/36300 730.0 3.567 3.567 0.984 -0.000 -0.000 0.000 3/36300 740.0 3.517 3.517 0.971 -0.000 -0.000 0.000 3/36300 750.0 3.469 3.469 0.958 -0.000 -0.000 0.000 3/36300 760.0 3.423 3.423 0.946 -0.000 -0.000 0.000 3/36300 770.0 3.377 3.377 0.934 -0.000 -0.000 0.000 3/36300 780.0 3.333 3.333 0.922 -0.000 -0.000 0.000 3/36300 790.0 3.290 3.290 0.910 -0.000 -0.000 0.000 3/36300 800.0 3.248 3.248 0.899 -0.000 -0.000 0.000 3/36300 810.0 3.207 3.207 0.888 -0.000 -0.000 0.000 3/36300 820.0 3.167 3.167 0.877 -0.000 -0.000 0.000 3/36300 830.0 3.128 3.128 0.867 -0.000 -0.000 0.000 3/36300 840.0 3.091 3.091 0.857 -0.000 -0.000 0.000 3/36300 850.0 3.054 3.054 0.847 -0.000 -0.000 0.000 3/36300 860.0 3.017 3.017 0.837 -0.000 -0.000 0.000 3/36300 870.0 2.982 2.982 0.827 -0.000 -0.000 0.000 3/36300 880.0 2.948 2.948 0.818 -0.000 -0.000 0.000 3/36300 890.0 2.914 2.914 0.809 -0.000 -0.000 0.000 3/36300 900.0 2.881 2.881 0.800 -0.000 -0.000 0.000 3/36300 910.0 2.849 2.849 0.791 -0.000 -0.000 0.000 3/36300 920.0 2.818 2.818 0.783 -0.000 -0.000 0.000 3/36300 930.0 2.787 2.787 0.774 -0.000 -0.000 0.000 3/36300 940.0 2.757 2.757 0.766 -0.000 -0.000 0.000 3/36300 950.0 2.727 2.727 0.758 -0.000 -0.000 0.000 3/36300 960.0 2.699 2.699 0.750 -0.000 -0.000 0.000 3/36300 970.0 2.671 2.671 0.743 -0.000 -0.000 0.000 3/36300 980.0 2.643 2.643 0.735 -0.000 -0.000 0.000 3/36300 990.0 2.616 2.616 0.728 -0.000 -0.000 0.000 3/36300 1000.0 2.589 2.589 0.720 -0.000 -0.000 0.000 3/36300 Thermal conductivity related properties were written into "kappa-m11115.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:43:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|