----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:14:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.215534679999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.699411850000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.119307349999999 Atomic positions (fractional): *1 K 0.46148347436514 0.25000000000000 0.50966229412371 39.098 2 K 0.53851652563486 0.75000000000000 0.49033770587629 39.098 3 K 0.96148347436514 0.25000000000000 0.99033770587629 39.098 4 K 0.03851652563486 0.75000000000000 0.00966229412370 39.098 *5 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 6 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 7 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 8 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 *9 F 0.02474798936441 0.25000000000000 0.42347571346602 18.998 10 F 0.97525201063559 0.75000000000000 0.57652428653398 18.998 11 F 0.52474798936441 0.25000000000000 0.07652428653398 18.998 12 F 0.47525201063559 0.75000000000000 0.92347571346602 18.998 *13 F 0.78779671173098 0.95921572159750 0.21100458723240 18.998 14 F 0.21220328826902 0.04078427840250 0.78899541276760 18.998 15 F 0.21220328826902 0.45921572159750 0.78899541276760 18.998 16 F 0.78779671173098 0.54078427840250 0.21100458723240 18.998 17 F 0.71220328826902 0.04078427840250 0.71100458723240 18.998 18 F 0.28779671173098 0.95921572159750 0.28899541276760 18.998 19 F 0.28779671173098 0.54078427840250 0.28899541276760 18.998 20 F 0.71220328826902 0.45921572159750 0.71100458723240 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.215534679999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.699411850000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.119307349999999 Atomic positions (fractional): *1 K 0.46148347436514 0.25000000000000 0.50966229412371 39.098 > 1 2 K 0.53851652563486 0.75000000000000 0.49033770587629 39.098 > 2 3 K 0.96148347436514 0.25000000000000 0.99033770587629 39.098 > 3 4 K 0.03851652563486 0.75000000000000 0.00966229412370 39.098 > 4 *5 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 5 6 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 6 7 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 7 8 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 8 *9 F 0.02474798936441 0.25000000000000 0.42347571346602 18.998 > 9 10 F 0.97525201063559 0.75000000000000 0.57652428653398 18.998 > 10 11 F 0.52474798936441 0.25000000000000 0.07652428653398 18.998 > 11 12 F 0.47525201063559 0.75000000000000 0.92347571346602 18.998 > 12 *13 F 0.78779671173098 0.95921572159750 0.21100458723240 18.998 > 13 14 F 0.21220328826902 0.04078427840250 0.78899541276760 18.998 > 14 15 F 0.21220328826902 0.45921572159750 0.78899541276760 18.998 > 15 16 F 0.78779671173098 0.54078427840250 0.21100458723240 18.998 > 16 17 F 0.71220328826902 0.04078427840250 0.71100458723240 18.998 > 17 18 F 0.28779671173098 0.95921572159750 0.28899541276760 18.998 > 18 19 F 0.28779671173098 0.54078427840250 0.28899541276760 18.998 > 19 20 F 0.71220328826902 0.45921572159750 0.71100458723240 18.998 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.431069359999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.699411850000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.238614699999998 Atomic positions (fractional): *1 K 0.23074173718257 0.25000000000000 0.25483114706185 39.098 > 1 2 K 0.73074173718257 0.25000000000000 0.25483114706185 39.098 > 1 3 K 0.23074173718257 0.25000000000000 0.75483114706185 39.098 > 1 4 K 0.73074173718257 0.25000000000000 0.75483114706185 39.098 > 1 5 K 0.26925826281743 0.75000000000000 0.24516885293815 39.098 > 2 6 K 0.76925826281743 0.75000000000000 0.24516885293815 39.098 > 2 7 K 0.26925826281743 0.75000000000000 0.74516885293815 39.098 > 2 8 K 0.76925826281743 0.75000000000000 0.74516885293815 39.098 > 2 9 K 0.48074173718257 0.25000000000000 0.49516885293815 39.098 > 3 10 K 0.98074173718257 0.25000000000000 0.49516885293815 39.098 > 3 11 K 0.48074173718257 0.25000000000000 0.99516885293815 39.098 > 3 12 K 0.98074173718257 0.25000000000000 0.99516885293815 39.098 > 3 13 K 0.01925826281743 0.75000000000000 0.00483114706185 39.098 > 4 14 K 0.51925826281743 0.75000000000000 0.00483114706185 39.098 > 4 15 K 0.01925826281743 0.75000000000000 0.50483114706185 39.098 > 4 16 K 0.51925826281743 0.75000000000000 0.50483114706185 39.098 > 4 *17 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 > 5 18 Ca 0.50000000000000 0.00000000000000 0.25000000000000 40.078 > 5 19 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 > 5 20 Ca 0.50000000000000 0.00000000000000 0.75000000000000 40.078 > 5 21 Ca 0.00000000000000 0.50000000000000 0.25000000000000 40.078 > 6 22 Ca 0.50000000000000 0.50000000000000 0.25000000000000 40.078 > 6 23 Ca 0.00000000000000 0.50000000000000 0.75000000000000 40.078 > 6 24 Ca 0.50000000000000 0.50000000000000 0.75000000000000 40.078 > 6 25 Ca 0.25000000000000 0.00000000000000 0.00000000000000 40.078 > 7 26 Ca 0.75000000000000 0.00000000000000 0.00000000000000 40.078 > 7 27 Ca 0.25000000000000 0.00000000000000 0.50000000000000 40.078 > 7 28 Ca 0.75000000000000 0.00000000000000 0.50000000000000 40.078 > 7 29 Ca 0.25000000000000 0.50000000000000 0.00000000000000 40.078 > 8 30 Ca 0.75000000000000 0.50000000000000 0.00000000000000 40.078 > 8 31 Ca 0.25000000000000 0.50000000000000 0.50000000000000 40.078 > 8 32 Ca 0.75000000000000 0.50000000000000 0.50000000000000 40.078 > 8 *33 F 0.01237399468221 0.25000000000000 0.21173785673301 18.998 > 9 34 F 0.51237399468221 0.25000000000000 0.21173785673301 18.998 > 9 35 F 0.01237399468221 0.25000000000000 0.71173785673301 18.998 > 9 36 F 0.51237399468221 0.25000000000000 0.71173785673301 18.998 > 9 37 F 0.48762600531779 0.75000000000000 0.28826214326699 18.998 > 10 38 F 0.98762600531779 0.75000000000000 0.28826214326699 18.998 > 10 39 F 0.48762600531779 0.75000000000000 0.78826214326699 18.998 > 10 40 F 0.98762600531779 0.75000000000000 0.78826214326699 18.998 > 10 41 F 0.26237399468221 0.25000000000000 0.03826214326699 18.998 > 11 42 F 0.76237399468221 0.25000000000000 0.03826214326699 18.998 > 11 43 F 0.26237399468221 0.25000000000000 0.53826214326699 18.998 > 11 44 F 0.76237399468221 0.25000000000000 0.53826214326699 18.998 > 11 45 F 0.23762600531780 0.75000000000000 0.46173785673301 18.998 > 12 46 F 0.73762600531779 0.75000000000000 0.46173785673301 18.998 > 12 47 F 0.23762600531780 0.75000000000000 0.96173785673301 18.998 > 12 48 F 0.73762600531779 0.75000000000000 0.96173785673301 18.998 > 12 *49 F 0.39389835586549 0.95921572159750 0.10550229361620 18.998 > 13 50 F 0.89389835586549 0.95921572159750 0.10550229361620 18.998 > 13 51 F 0.39389835586549 0.95921572159750 0.60550229361620 18.998 > 13 52 F 0.89389835586549 0.95921572159750 0.60550229361620 18.998 > 13 53 F 0.10610164413451 0.04078427840250 0.39449770638380 18.998 > 14 54 F 0.60610164413451 0.04078427840250 0.39449770638380 18.998 > 14 55 F 0.10610164413451 0.04078427840250 0.89449770638380 18.998 > 14 56 F 0.60610164413451 0.04078427840250 0.89449770638380 18.998 > 14 57 F 0.10610164413451 0.45921572159750 0.39449770638380 18.998 > 15 58 F 0.60610164413451 0.45921572159750 0.39449770638380 18.998 > 15 59 F 0.10610164413451 0.45921572159750 0.89449770638380 18.998 > 15 60 F 0.60610164413451 0.45921572159750 0.89449770638380 18.998 > 15 61 F 0.39389835586549 0.54078427840250 0.10550229361620 18.998 > 16 62 F 0.89389835586549 0.54078427840250 0.10550229361620 18.998 > 16 63 F 0.39389835586549 0.54078427840250 0.60550229361620 18.998 > 16 64 F 0.89389835586549 0.54078427840250 0.60550229361620 18.998 > 16 65 F 0.35610164413451 0.04078427840250 0.35550229361620 18.998 > 17 66 F 0.85610164413451 0.04078427840250 0.35550229361620 18.998 > 17 67 F 0.35610164413451 0.04078427840250 0.85550229361620 18.998 > 17 68 F 0.85610164413451 0.04078427840250 0.85550229361620 18.998 > 17 69 F 0.14389835586549 0.95921572159750 0.14449770638380 18.998 > 18 70 F 0.64389835586549 0.95921572159750 0.14449770638380 18.998 > 18 71 F 0.14389835586549 0.95921572159750 0.64449770638380 18.998 > 18 72 F 0.64389835586549 0.95921572159750 0.64449770638380 18.998 > 18 73 F 0.14389835586549 0.54078427840250 0.14449770638380 18.998 > 19 74 F 0.64389835586549 0.54078427840250 0.14449770638380 18.998 > 19 75 F 0.14389835586549 0.54078427840250 0.64449770638380 18.998 > 19 76 F 0.64389835586549 0.54078427840250 0.64449770638380 18.998 > 19 77 F 0.35610164413451 0.45921572159750 0.35550229361620 18.998 > 20 78 F 0.85610164413451 0.45921572159750 0.35550229361620 18.998 > 20 79 F 0.35610164413451 0.45921572159750 0.85550229361620 18.998 > 20 80 F 0.85610164413451 0.45921572159750 0.85550229361620 18.998 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1074136 0.0000000 0.0000000 0.0000000 2.1077140 0.0000000 0.0000000 0.0000000 2.1101830 -------------------------- Born effective charges -------------------------- 1 K 1.1679869 0.0000000 0.0355089 0.0000000 1.1606629 0.0000000 0.0344964 0.0000000 1.1806669 2 K 1.1679869 0.0000000 0.0355089 0.0000000 1.1606629 0.0000000 0.0344964 0.0000000 1.1806669 3 K 1.1679869 0.0000000 -0.0355089 0.0000000 1.1606629 0.0000000 -0.0344964 0.0000000 1.1806669 4 K 1.1679869 0.0000000 -0.0355089 0.0000000 1.1606629 0.0000000 -0.0344964 0.0000000 1.1806669 5 Ca 2.3343168 0.0429154 0.0142478 0.0513905 2.3435351 -0.0192269 -0.0378378 0.0655642 2.3339577 6 Ca 2.3343168 -0.0429154 0.0142478 -0.0513905 2.3435351 0.0192269 -0.0378378 -0.0655642 2.3339577 7 Ca 2.3343168 0.0429154 -0.0142478 0.0513905 2.3435351 0.0192269 0.0378378 -0.0655642 2.3339577 8 Ca 2.3343168 -0.0429154 -0.0142478 -0.0513905 2.3435351 -0.0192269 0.0378378 0.0655642 2.3339577 9 F -0.9157910 0.0000000 -0.0267569 0.0000000 -1.6183508 0.0000000 -0.0198861 0.0000000 -0.9743410 10 F -0.9157910 0.0000000 -0.0267569 0.0000000 -1.6183508 0.0000000 -0.0198861 0.0000000 -0.9743410 11 F -0.9157910 0.0000000 0.0267569 0.0000000 -1.6183508 0.0000000 0.0198861 0.0000000 -0.9743410 12 F -0.9157910 0.0000000 0.0267569 0.0000000 -1.6183508 0.0000000 0.0198861 0.0000000 -0.9743410 13 F -1.2932564 0.0243413 -0.3353447 0.0207606 -0.9429236 0.0042854 -0.3335729 0.0061634 -1.2701418 14 F -1.2932564 0.0243413 -0.3353447 0.0207606 -0.9429236 0.0042854 -0.3335729 0.0061634 -1.2701418 15 F -1.2932564 -0.0243413 -0.3353447 -0.0207606 -0.9429236 -0.0042854 -0.3335729 -0.0061634 -1.2701418 16 F -1.2932564 -0.0243413 -0.3353447 -0.0207606 -0.9429236 -0.0042854 -0.3335729 -0.0061634 -1.2701418 17 F -1.2932564 0.0243413 0.3353447 0.0207606 -0.9429236 -0.0042854 0.3335729 -0.0061634 -1.2701418 18 F -1.2932564 0.0243413 0.3353447 0.0207606 -0.9429236 -0.0042854 0.3335729 -0.0061634 -1.2701418 19 F -1.2932564 -0.0243413 0.3353447 -0.0207606 -0.9429236 0.0042854 0.3335729 0.0061634 -1.2701418 20 F -1.2932564 -0.0243413 0.3353447 -0.0207606 -0.9429236 0.0042854 0.3335729 0.0061634 -1.2701418 ---------------------------------------------------------------------------- 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: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.731 Solver_block: 200 / 320 - Time: 0.725 Solver_block: 300 / 320 - Time: 0.726 Solver_block: 320 / 320 - Time: 0.181 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.377 --------------------------------- 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: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), 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 2026-01-08 21:14:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:14:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.215534679999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.699411850000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.119307349999999 Atomic positions (fractional): 1 K 0.46148347436514 0.25000000000000 0.50966229412371 39.098 2 K 0.53851652563486 0.75000000000000 0.49033770587629 39.098 3 K 0.96148347436514 0.25000000000000 0.99033770587629 39.098 4 K 0.03851652563486 0.75000000000000 0.00966229412370 39.098 5 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 6 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 7 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 8 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 9 F 0.02474798936441 0.25000000000000 0.42347571346602 18.998 10 F 0.97525201063559 0.75000000000000 0.57652428653398 18.998 11 F 0.52474798936441 0.25000000000000 0.07652428653398 18.998 12 F 0.47525201063559 0.75000000000000 0.92347571346602 18.998 13 F 0.78779671173098 0.95921572159750 0.21100458723240 18.998 14 F 0.21220328826902 0.04078427840250 0.78899541276760 18.998 15 F 0.21220328826902 0.45921572159750 0.78899541276760 18.998 16 F 0.78779671173098 0.54078427840250 0.21100458723240 18.998 17 F 0.71220328826902 0.04078427840250 0.71100458723240 18.998 18 F 0.28779671173098 0.95921572159750 0.28899541276760 18.998 19 F 0.28779671173098 0.54078427840250 0.28899541276760 18.998 20 F 0.71220328826902 0.45921572159750 0.71100458723240 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.431069359999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.699411850000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.238614699999998 Atomic positions (fractional): 1 K 0.23074173718257 0.25000000000000 0.25483114706185 39.098 > 1 2 K 0.73074173718257 0.25000000000000 0.25483114706185 39.098 > 1 3 K 0.23074173718257 0.25000000000000 0.75483114706185 39.098 > 1 4 K 0.73074173718257 0.25000000000000 0.75483114706185 39.098 > 1 5 K 0.26925826281743 0.75000000000000 0.24516885293815 39.098 > 5 6 K 0.76925826281743 0.75000000000000 0.24516885293815 39.098 > 5 7 K 0.26925826281743 0.75000000000000 0.74516885293815 39.098 > 5 8 K 0.76925826281743 0.75000000000000 0.74516885293815 39.098 > 5 9 K 0.48074173718257 0.25000000000000 0.49516885293815 39.098 > 9 10 K 0.98074173718257 0.25000000000000 0.49516885293815 39.098 > 9 11 K 0.48074173718257 0.25000000000000 0.99516885293815 39.098 > 9 12 K 0.98074173718257 0.25000000000000 0.99516885293815 39.098 > 9 13 K 0.01925826281743 0.75000000000000 0.00483114706185 39.098 > 13 14 K 0.51925826281743 0.75000000000000 0.00483114706185 39.098 > 13 15 K 0.01925826281743 0.75000000000000 0.50483114706185 39.098 > 13 16 K 0.51925826281743 0.75000000000000 0.50483114706185 39.098 > 13 17 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 > 17 18 Ca 0.50000000000000 0.00000000000000 0.25000000000000 40.078 > 17 19 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 > 17 20 Ca 0.50000000000000 0.00000000000000 0.75000000000000 40.078 > 17 21 Ca 0.00000000000000 0.50000000000000 0.25000000000000 40.078 > 21 22 Ca 0.50000000000000 0.50000000000000 0.25000000000000 40.078 > 21 23 Ca 0.00000000000000 0.50000000000000 0.75000000000000 40.078 > 21 24 Ca 0.50000000000000 0.50000000000000 0.75000000000000 40.078 > 21 25 Ca 0.25000000000000 0.00000000000000 0.00000000000000 40.078 > 25 26 Ca 0.75000000000000 0.00000000000000 0.00000000000000 40.078 > 25 27 Ca 0.25000000000000 0.00000000000000 0.50000000000000 40.078 > 25 28 Ca 0.75000000000000 0.00000000000000 0.50000000000000 40.078 > 25 29 Ca 0.25000000000000 0.50000000000000 0.00000000000000 40.078 > 29 30 Ca 0.75000000000000 0.50000000000000 0.00000000000000 40.078 > 29 31 Ca 0.25000000000000 0.50000000000000 0.50000000000000 40.078 > 29 32 Ca 0.75000000000000 0.50000000000000 0.50000000000000 40.078 > 29 33 F 0.01237399468221 0.25000000000000 0.21173785673301 18.998 > 33 34 F 0.51237399468221 0.25000000000000 0.21173785673301 18.998 > 33 35 F 0.01237399468221 0.25000000000000 0.71173785673301 18.998 > 33 36 F 0.51237399468221 0.25000000000000 0.71173785673301 18.998 > 33 37 F 0.48762600531779 0.75000000000000 0.28826214326699 18.998 > 37 38 F 0.98762600531779 0.75000000000000 0.28826214326699 18.998 > 37 39 F 0.48762600531779 0.75000000000000 0.78826214326699 18.998 > 37 40 F 0.98762600531779 0.75000000000000 0.78826214326699 18.998 > 37 41 F 0.26237399468221 0.25000000000000 0.03826214326699 18.998 > 41 42 F 0.76237399468221 0.25000000000000 0.03826214326699 18.998 > 41 43 F 0.26237399468221 0.25000000000000 0.53826214326699 18.998 > 41 44 F 0.76237399468221 0.25000000000000 0.53826214326699 18.998 > 41 45 F 0.23762600531780 0.75000000000000 0.46173785673301 18.998 > 45 46 F 0.73762600531779 0.75000000000000 0.46173785673301 18.998 > 45 47 F 0.23762600531780 0.75000000000000 0.96173785673301 18.998 > 45 48 F 0.73762600531779 0.75000000000000 0.96173785673301 18.998 > 45 49 F 0.39389835586549 0.95921572159750 0.10550229361620 18.998 > 49 50 F 0.89389835586549 0.95921572159750 0.10550229361620 18.998 > 49 51 F 0.39389835586549 0.95921572159750 0.60550229361620 18.998 > 49 52 F 0.89389835586549 0.95921572159750 0.60550229361620 18.998 > 49 53 F 0.10610164413451 0.04078427840250 0.39449770638380 18.998 > 53 54 F 0.60610164413451 0.04078427840250 0.39449770638380 18.998 > 53 55 F 0.10610164413451 0.04078427840250 0.89449770638380 18.998 > 53 56 F 0.60610164413451 0.04078427840250 0.89449770638380 18.998 > 53 57 F 0.10610164413451 0.45921572159750 0.39449770638380 18.998 > 57 58 F 0.60610164413451 0.45921572159750 0.39449770638380 18.998 > 57 59 F 0.10610164413451 0.45921572159750 0.89449770638380 18.998 > 57 60 F 0.60610164413451 0.45921572159750 0.89449770638380 18.998 > 57 61 F 0.39389835586549 0.54078427840250 0.10550229361620 18.998 > 61 62 F 0.89389835586549 0.54078427840250 0.10550229361620 18.998 > 61 63 F 0.39389835586549 0.54078427840250 0.60550229361620 18.998 > 61 64 F 0.89389835586549 0.54078427840250 0.60550229361620 18.998 > 61 65 F 0.35610164413451 0.04078427840250 0.35550229361620 18.998 > 65 66 F 0.85610164413451 0.04078427840250 0.35550229361620 18.998 > 65 67 F 0.35610164413451 0.04078427840250 0.85550229361620 18.998 > 65 68 F 0.85610164413451 0.04078427840250 0.85550229361620 18.998 > 65 69 F 0.14389835586549 0.95921572159750 0.14449770638380 18.998 > 69 70 F 0.64389835586549 0.95921572159750 0.14449770638380 18.998 > 69 71 F 0.14389835586549 0.95921572159750 0.64449770638380 18.998 > 69 72 F 0.64389835586549 0.95921572159750 0.64449770638380 18.998 > 69 73 F 0.14389835586549 0.54078427840250 0.14449770638380 18.998 > 73 74 F 0.64389835586549 0.54078427840250 0.14449770638380 18.998 > 73 75 F 0.14389835586549 0.54078427840250 0.64449770638380 18.998 > 73 76 F 0.64389835586549 0.54078427840250 0.64449770638380 18.998 > 73 77 F 0.35610164413451 0.45921572159750 0.35550229361620 18.998 > 77 78 F 0.85610164413451 0.45921572159750 0.35550229361620 18.998 > 77 79 F 0.35610164413451 0.45921572159750 0.85550229361620 18.998 > 77 80 F 0.85610164413451 0.45921572159750 0.85550229361620 18.998 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1074136 0.0000000 0.0000000 0.0000000 2.1077140 0.0000000 0.0000000 0.0000000 2.1101830 -------------------------- Born effective charges -------------------------- 1 K 1.1679869 0.0000000 0.0355089 0.0000000 1.1606629 0.0000000 0.0344964 0.0000000 1.1806669 2 K 1.1679869 0.0000000 0.0355089 0.0000000 1.1606629 0.0000000 0.0344964 0.0000000 1.1806669 3 K 1.1679869 0.0000000 -0.0355089 0.0000000 1.1606629 0.0000000 -0.0344964 0.0000000 1.1806669 4 K 1.1679869 0.0000000 -0.0355089 0.0000000 1.1606629 0.0000000 -0.0344964 0.0000000 1.1806669 5 Ca 2.3343168 0.0429154 0.0142478 0.0513905 2.3435351 -0.0192269 -0.0378378 0.0655642 2.3339577 6 Ca 2.3343168 -0.0429154 0.0142478 -0.0513905 2.3435351 0.0192269 -0.0378378 -0.0655642 2.3339577 7 Ca 2.3343168 0.0429154 -0.0142478 0.0513905 2.3435351 0.0192269 0.0378378 -0.0655642 2.3339577 8 Ca 2.3343168 -0.0429154 -0.0142478 -0.0513905 2.3435351 -0.0192269 0.0378378 0.0655642 2.3339577 9 F -0.9157910 0.0000000 -0.0267569 0.0000000 -1.6183508 0.0000000 -0.0198861 0.0000000 -0.9743410 10 F -0.9157910 0.0000000 -0.0267569 0.0000000 -1.6183508 0.0000000 -0.0198861 0.0000000 -0.9743410 11 F -0.9157910 0.0000000 0.0267569 0.0000000 -1.6183508 0.0000000 0.0198861 0.0000000 -0.9743410 12 F -0.9157910 0.0000000 0.0267569 0.0000000 -1.6183508 0.0000000 0.0198861 0.0000000 -0.9743410 13 F -1.2932564 0.0243413 -0.3353447 0.0207606 -0.9429236 0.0042854 -0.3335729 0.0061634 -1.2701418 14 F -1.2932564 0.0243413 -0.3353447 0.0207606 -0.9429236 0.0042854 -0.3335729 0.0061634 -1.2701418 15 F -1.2932564 -0.0243413 -0.3353447 -0.0207606 -0.9429236 -0.0042854 -0.3335729 -0.0061634 -1.2701418 16 F -1.2932564 -0.0243413 -0.3353447 -0.0207606 -0.9429236 -0.0042854 -0.3335729 -0.0061634 -1.2701418 17 F -1.2932564 0.0243413 0.3353447 0.0207606 -0.9429236 -0.0042854 0.3335729 -0.0061634 -1.2701418 18 F -1.2932564 0.0243413 0.3353447 0.0207606 -0.9429236 -0.0042854 0.3335729 -0.0061634 -1.2701418 19 F -1.2932564 -0.0243413 0.3353447 -0.0207606 -0.9429236 0.0042854 0.3335729 0.0061634 -1.2701418 20 F -1.2932564 -0.0243413 0.3353447 -0.0207606 -0.9429236 0.0042854 0.3335729 0.0061634 -1.2701418 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yzy) 0.00000001 (yzy) 0.00000001 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:14:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:14:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.215534679999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.699411850000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.119307349999999 Atomic positions (fractional): 1 K 0.46148347436514 0.25000000000000 0.50966229412371 39.098 2 K 0.53851652563486 0.75000000000000 0.49033770587629 39.098 3 K 0.96148347436514 0.25000000000000 0.99033770587629 39.098 4 K 0.03851652563486 0.75000000000000 0.00966229412370 39.098 5 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 6 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 7 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 8 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 9 F 0.02474798936441 0.25000000000000 0.42347571346602 18.998 10 F 0.97525201063559 0.75000000000000 0.57652428653398 18.998 11 F 0.52474798936441 0.25000000000000 0.07652428653398 18.998 12 F 0.47525201063559 0.75000000000000 0.92347571346602 18.998 13 F 0.78779671173098 0.95921572159750 0.21100458723240 18.998 14 F 0.21220328826902 0.04078427840250 0.78899541276760 18.998 15 F 0.21220328826902 0.45921572159750 0.78899541276760 18.998 16 F 0.78779671173098 0.54078427840250 0.21100458723240 18.998 17 F 0.71220328826902 0.04078427840250 0.71100458723240 18.998 18 F 0.28779671173098 0.95921572159750 0.28899541276760 18.998 19 F 0.28779671173098 0.54078427840250 0.28899541276760 18.998 20 F 0.71220328826902 0.45921572159750 0.71100458723240 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.431069359999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.699411850000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.238614699999998 Atomic positions (fractional): 1 K 0.23074173718257 0.25000000000000 0.25483114706185 39.098 > 1 2 K 0.73074173718257 0.25000000000000 0.25483114706185 39.098 > 1 3 K 0.23074173718257 0.25000000000000 0.75483114706185 39.098 > 1 4 K 0.73074173718257 0.25000000000000 0.75483114706185 39.098 > 1 5 K 0.26925826281743 0.75000000000000 0.24516885293815 39.098 > 5 6 K 0.76925826281743 0.75000000000000 0.24516885293815 39.098 > 5 7 K 0.26925826281743 0.75000000000000 0.74516885293815 39.098 > 5 8 K 0.76925826281743 0.75000000000000 0.74516885293815 39.098 > 5 9 K 0.48074173718257 0.25000000000000 0.49516885293815 39.098 > 9 10 K 0.98074173718257 0.25000000000000 0.49516885293815 39.098 > 9 11 K 0.48074173718257 0.25000000000000 0.99516885293815 39.098 > 9 12 K 0.98074173718257 0.25000000000000 0.99516885293815 39.098 > 9 13 K 0.01925826281743 0.75000000000000 0.00483114706185 39.098 > 13 14 K 0.51925826281743 0.75000000000000 0.00483114706185 39.098 > 13 15 K 0.01925826281743 0.75000000000000 0.50483114706185 39.098 > 13 16 K 0.51925826281743 0.75000000000000 0.50483114706185 39.098 > 13 17 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 > 17 18 Ca 0.50000000000000 0.00000000000000 0.25000000000000 40.078 > 17 19 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 > 17 20 Ca 0.50000000000000 0.00000000000000 0.75000000000000 40.078 > 17 21 Ca 0.00000000000000 0.50000000000000 0.25000000000000 40.078 > 21 22 Ca 0.50000000000000 0.50000000000000 0.25000000000000 40.078 > 21 23 Ca 0.00000000000000 0.50000000000000 0.75000000000000 40.078 > 21 24 Ca 0.50000000000000 0.50000000000000 0.75000000000000 40.078 > 21 25 Ca 0.25000000000000 0.00000000000000 0.00000000000000 40.078 > 25 26 Ca 0.75000000000000 0.00000000000000 0.00000000000000 40.078 > 25 27 Ca 0.25000000000000 0.00000000000000 0.50000000000000 40.078 > 25 28 Ca 0.75000000000000 0.00000000000000 0.50000000000000 40.078 > 25 29 Ca 0.25000000000000 0.50000000000000 0.00000000000000 40.078 > 29 30 Ca 0.75000000000000 0.50000000000000 0.00000000000000 40.078 > 29 31 Ca 0.25000000000000 0.50000000000000 0.50000000000000 40.078 > 29 32 Ca 0.75000000000000 0.50000000000000 0.50000000000000 40.078 > 29 33 F 0.01237399468221 0.25000000000000 0.21173785673301 18.998 > 33 34 F 0.51237399468221 0.25000000000000 0.21173785673301 18.998 > 33 35 F 0.01237399468221 0.25000000000000 0.71173785673301 18.998 > 33 36 F 0.51237399468221 0.25000000000000 0.71173785673301 18.998 > 33 37 F 0.48762600531779 0.75000000000000 0.28826214326699 18.998 > 37 38 F 0.98762600531779 0.75000000000000 0.28826214326699 18.998 > 37 39 F 0.48762600531779 0.75000000000000 0.78826214326699 18.998 > 37 40 F 0.98762600531779 0.75000000000000 0.78826214326699 18.998 > 37 41 F 0.26237399468221 0.25000000000000 0.03826214326699 18.998 > 41 42 F 0.76237399468221 0.25000000000000 0.03826214326699 18.998 > 41 43 F 0.26237399468221 0.25000000000000 0.53826214326699 18.998 > 41 44 F 0.76237399468221 0.25000000000000 0.53826214326699 18.998 > 41 45 F 0.23762600531780 0.75000000000000 0.46173785673301 18.998 > 45 46 F 0.73762600531779 0.75000000000000 0.46173785673301 18.998 > 45 47 F 0.23762600531780 0.75000000000000 0.96173785673301 18.998 > 45 48 F 0.73762600531779 0.75000000000000 0.96173785673301 18.998 > 45 49 F 0.39389835586549 0.95921572159750 0.10550229361620 18.998 > 49 50 F 0.89389835586549 0.95921572159750 0.10550229361620 18.998 > 49 51 F 0.39389835586549 0.95921572159750 0.60550229361620 18.998 > 49 52 F 0.89389835586549 0.95921572159750 0.60550229361620 18.998 > 49 53 F 0.10610164413451 0.04078427840250 0.39449770638380 18.998 > 53 54 F 0.60610164413451 0.04078427840250 0.39449770638380 18.998 > 53 55 F 0.10610164413451 0.04078427840250 0.89449770638380 18.998 > 53 56 F 0.60610164413451 0.04078427840250 0.89449770638380 18.998 > 53 57 F 0.10610164413451 0.45921572159750 0.39449770638380 18.998 > 57 58 F 0.60610164413451 0.45921572159750 0.39449770638380 18.998 > 57 59 F 0.10610164413451 0.45921572159750 0.89449770638380 18.998 > 57 60 F 0.60610164413451 0.45921572159750 0.89449770638380 18.998 > 57 61 F 0.39389835586549 0.54078427840250 0.10550229361620 18.998 > 61 62 F 0.89389835586549 0.54078427840250 0.10550229361620 18.998 > 61 63 F 0.39389835586549 0.54078427840250 0.60550229361620 18.998 > 61 64 F 0.89389835586549 0.54078427840250 0.60550229361620 18.998 > 61 65 F 0.35610164413451 0.04078427840250 0.35550229361620 18.998 > 65 66 F 0.85610164413451 0.04078427840250 0.35550229361620 18.998 > 65 67 F 0.35610164413451 0.04078427840250 0.85550229361620 18.998 > 65 68 F 0.85610164413451 0.04078427840250 0.85550229361620 18.998 > 65 69 F 0.14389835586549 0.95921572159750 0.14449770638380 18.998 > 69 70 F 0.64389835586549 0.95921572159750 0.14449770638380 18.998 > 69 71 F 0.14389835586549 0.95921572159750 0.64449770638380 18.998 > 69 72 F 0.64389835586549 0.95921572159750 0.64449770638380 18.998 > 69 73 F 0.14389835586549 0.54078427840250 0.14449770638380 18.998 > 73 74 F 0.64389835586549 0.54078427840250 0.14449770638380 18.998 > 73 75 F 0.14389835586549 0.54078427840250 0.64449770638380 18.998 > 73 76 F 0.64389835586549 0.54078427840250 0.64449770638380 18.998 > 73 77 F 0.35610164413451 0.45921572159750 0.35550229361620 18.998 > 77 78 F 0.85610164413451 0.45921572159750 0.35550229361620 18.998 > 77 79 F 0.35610164413451 0.45921572159750 0.85550229361620 18.998 > 77 80 F 0.85610164413451 0.45921572159750 0.85550229361620 18.998 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.1074136 0.0000000 0.0000000 0.0000000 2.1077140 0.0000000 0.0000000 0.0000000 2.1101830 -------------------------- Born effective charges -------------------------- 1 K 1.1679869 0.0000000 0.0355089 0.0000000 1.1606629 0.0000000 0.0344964 0.0000000 1.1806669 2 K 1.1679869 0.0000000 0.0355089 0.0000000 1.1606629 0.0000000 0.0344964 0.0000000 1.1806669 3 K 1.1679869 0.0000000 -0.0355089 0.0000000 1.1606629 0.0000000 -0.0344964 0.0000000 1.1806669 4 K 1.1679869 0.0000000 -0.0355089 0.0000000 1.1606629 0.0000000 -0.0344964 0.0000000 1.1806669 5 Ca 2.3343168 0.0429154 0.0142478 0.0513905 2.3435351 -0.0192269 -0.0378378 0.0655642 2.3339577 6 Ca 2.3343168 -0.0429154 0.0142478 -0.0513905 2.3435351 0.0192269 -0.0378378 -0.0655642 2.3339577 7 Ca 2.3343168 0.0429154 -0.0142478 0.0513905 2.3435351 0.0192269 0.0378378 -0.0655642 2.3339577 8 Ca 2.3343168 -0.0429154 -0.0142478 -0.0513905 2.3435351 -0.0192269 0.0378378 0.0655642 2.3339577 9 F -0.9157910 0.0000000 -0.0267569 0.0000000 -1.6183508 0.0000000 -0.0198861 0.0000000 -0.9743410 10 F -0.9157910 0.0000000 -0.0267569 0.0000000 -1.6183508 0.0000000 -0.0198861 0.0000000 -0.9743410 11 F -0.9157910 0.0000000 0.0267569 0.0000000 -1.6183508 0.0000000 0.0198861 0.0000000 -0.9743410 12 F -0.9157910 0.0000000 0.0267569 0.0000000 -1.6183508 0.0000000 0.0198861 0.0000000 -0.9743410 13 F -1.2932564 0.0243413 -0.3353447 0.0207606 -0.9429236 0.0042854 -0.3335729 0.0061634 -1.2701418 14 F -1.2932564 0.0243413 -0.3353447 0.0207606 -0.9429236 0.0042854 -0.3335729 0.0061634 -1.2701418 15 F -1.2932564 -0.0243413 -0.3353447 -0.0207606 -0.9429236 -0.0042854 -0.3335729 -0.0061634 -1.2701418 16 F -1.2932564 -0.0243413 -0.3353447 -0.0207606 -0.9429236 -0.0042854 -0.3335729 -0.0061634 -1.2701418 17 F -1.2932564 0.0243413 0.3353447 0.0207606 -0.9429236 -0.0042854 0.3335729 -0.0061634 -1.2701418 18 F -1.2932564 0.0243413 0.3353447 0.0207606 -0.9429236 -0.0042854 0.3335729 -0.0061634 -1.2701418 19 F -1.2932564 -0.0243413 0.3353447 -0.0207606 -0.9429236 0.0042854 0.3335729 0.0061634 -1.2701418 20 F -1.2932564 -0.0243413 0.3353447 -0.0207606 -0.9429236 0.0042854 0.3335729 0.0061634 -1.2701418 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yzy) 0.00000001 (yzy) 0.00000001 (yyz) 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 ... [ 8 6 8 ] 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: 0.60, Number of G-points: 319, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 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 1.759 ( 0.000 0.000 0.000) 0.000 1.873 ( 0.000 0.000 0.000) 0.000 2.052 ( 0.000 0.000 0.000) 0.000 2.422 ( 0.000 0.000 0.000) 0.000 2.666 ( 0.000 0.000 0.000) 0.000 2.706 ( 0.000 0.000 0.000) 0.000 2.732 ( 0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 2.917 ( 0.000 0.000 0.000) 0.000 2.928 ( 0.000 0.000 0.000) 0.000 3.040 ( 0.000 0.000 0.000) 0.000 3.155 ( 0.000 0.000 0.000) 0.000 3.359 ( 0.000 0.000 0.000) 0.000 3.519 ( 0.000 0.000 0.000) 0.000 3.706 ( 0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 3.826 ( 0.000 0.000 0.000) 0.000 3.877 ( 0.000 0.000 0.000) 0.000 3.951 ( 0.000 0.000 0.000) 0.000 4.070 ( 0.000 0.000 0.000) 0.000 4.154 ( 0.000 0.000 0.000) 0.000 4.264 ( 0.000 0.000 0.000) 0.000 4.612 ( 0.000 0.000 0.000) 0.000 4.650 ( 0.000 0.000 0.000) 0.000 4.833 ( 0.000 0.000 0.000) 0.000 4.927 ( 0.000 0.000 0.000) 0.000 5.328 ( 0.000 0.000 0.000) 0.000 5.330 ( 0.000 0.000 0.000) 0.000 5.487 ( 0.000 0.000 0.000) 0.000 5.518 ( 0.000 0.000 0.000) 0.000 5.591 ( 0.000 0.000 0.000) 0.000 5.647 ( 0.000 0.000 0.000) 0.000 5.738 ( 0.000 0.000 0.000) 0.000 5.908 ( 0.000 0.000 0.000) 0.000 6.196 ( 0.000 0.000 0.000) 0.000 6.398 ( 0.000 0.000 0.000) 0.000 6.528 ( 0.000 0.000 0.000) 0.000 6.630 ( 0.000 0.000 0.000) 0.000 7.274 ( 0.000 0.000 0.000) 0.000 8.594 ( 0.000 0.000 0.000) 0.000 8.595 ( 0.000 0.000 0.000) 0.000 8.637 ( 0.000 0.000 0.000) 0.000 9.307 ( 0.000 0.000 0.000) 0.000 9.313 ( 0.000 0.000 0.000) 0.000 10.144 ( 0.000 0.000 0.000) 0.000 10.176 ( 0.000 0.000 0.000) 0.000 10.216 ( 0.000 0.000 0.000) 0.000 10.639 ( 0.000 0.000 0.000) 0.000 10.987 ( 0.000 0.000 0.000) 0.000 11.065 ( 0.000 0.000 0.000) 0.000 11.108 ( 0.000 0.000 0.000) 0.000 11.144 ( 0.000 0.000 0.000) 0.000 11.194 ( 0.000 0.000 0.000) 0.000 11.274 ( 0.000 0.000 0.000) 0.000 12.284 ( 0.000 0.000 0.000) 0.000 12.761 ( 0.000 0.000 0.000) 0.000 13.211 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 28.540 0.000 0.000) 28.540 0.678 ( 32.107 0.000 0.000) 32.107 1.095 ( 51.548 0.000 0.000) 51.548 1.822 ( 6.160 0.000 0.000) 6.160 1.964 ( 8.016 0.000 0.000) 8.016 2.246 ( 15.560 0.000 0.000) 15.560 2.368 ( -14.653 0.000 0.000) 14.653 2.409 ( -0.161 0.000 0.000) 0.161 2.698 ( -4.990 0.000 0.000) 4.990 2.774 ( -8.499 0.000 0.000) 8.499 2.863 ( -0.868 0.000 0.000) 0.868 2.920 ( -5.592 0.000 0.000) 5.592 2.964 ( -19.401 0.000 0.000) 19.401 3.010 ( 2.181 0.000 0.000) 2.181 3.051 ( 13.726 0.000 0.000) 13.726 3.209 ( 1.220 0.000 0.000) 1.220 3.615 ( -21.748 0.000 0.000) 21.748 3.806 ( -5.163 0.000 0.000) 5.163 3.807 ( -4.095 0.000 0.000) 4.095 3.916 ( -3.960 0.000 0.000) 3.960 3.917 ( 20.751 0.000 0.000) 20.751 3.948 ( 3.938 0.000 0.000) 3.938 4.201 ( 3.340 0.000 0.000) 3.340 4.214 ( -1.078 0.000 0.000) 1.078 4.585 ( 7.368 0.000 0.000) 7.368 4.726 ( 10.852 0.000 0.000) 10.852 4.740 ( 8.151 0.000 0.000) 8.151 4.852 ( 1.268 0.000 0.000) 1.268 4.995 ( 6.387 0.000 0.000) 6.387 5.301 ( -1.880 0.000 0.000) 1.880 5.375 ( 1.671 0.000 0.000) 1.671 5.510 ( 2.222 0.000 0.000) 2.222 5.595 ( 6.993 0.000 0.000) 6.993 5.641 ( 3.630 0.000 0.000) 3.630 5.656 ( 5.095 0.000 0.000) 5.095 5.758 ( 0.974 0.000 0.000) 0.974 6.173 ( -1.299 0.000 0.000) 1.299 6.455 ( 3.521 0.000 0.000) 3.521 6.487 ( -3.788 0.000 0.000) 3.788 6.602 ( -2.700 0.000 0.000) 2.700 7.166 ( -9.489 0.000 0.000) 9.489 7.252 ( 7.287 0.000 0.000) 7.287 8.441 ( -18.091 0.000 0.000) 18.091 8.462 ( -12.663 0.000 0.000) 12.663 8.645 ( 4.628 0.000 0.000) 4.628 9.124 ( -17.034 0.000 0.000) 17.034 9.266 ( -4.431 0.000 0.000) 4.431 10.245 ( 8.852 0.000 0.000) 8.852 10.255 ( 3.475 0.000 0.000) 3.475 10.276 ( 7.498 0.000 0.000) 7.498 10.573 ( -6.570 0.000 0.000) 6.570 10.909 ( -6.986 0.000 0.000) 6.986 11.090 ( -1.775 0.000 0.000) 1.775 11.125 ( -1.881 0.000 0.000) 1.881 11.196 ( 0.167 0.000 0.000) 0.167 11.253 ( -1.307 0.000 0.000) 1.307 12.439 ( 13.660 0.000 0.000) 13.660 12.833 ( 6.995 0.000 0.000) 6.995 13.238 ( 2.461 0.000 0.000) 2.461 14.148 ( -4.201 0.000 0.000) 4.201 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 27.343 0.000 0.000) 27.343 1.258 ( 24.712 0.000 0.000) 24.712 1.888 ( 17.894 0.000 0.000) 17.894 2.048 ( 18.935 0.000 0.000) 18.935 2.128 ( 6.467 0.000 0.000) 6.467 2.152 ( -5.340 0.000 0.000) 5.340 2.241 ( -9.080 0.000 0.000) 9.080 2.592 ( -9.062 0.000 0.000) 9.062 2.665 ( 5.463 0.000 0.000) 5.463 2.684 ( 5.603 0.000 0.000) 5.603 2.763 ( -9.092 0.000 0.000) 9.092 2.770 ( 11.725 0.000 0.000) 11.725 2.818 ( -3.312 0.000 0.000) 3.312 2.982 ( -5.545 0.000 0.000) 5.545 3.110 ( -9.482 0.000 0.000) 9.482 3.173 ( -15.845 0.000 0.000) 15.845 3.335 ( 12.000 0.000 0.000) 12.000 3.665 ( -6.794 0.000 0.000) 6.794 3.803 ( 3.732 0.000 0.000) 3.732 3.859 ( -2.678 0.000 0.000) 2.678 4.106 ( 10.154 0.000 0.000) 10.154 4.182 ( -2.261 0.000 0.000) 2.261 4.255 ( 1.540 0.000 0.000) 1.540 4.270 ( 14.238 0.000 0.000) 14.238 4.694 ( 5.695 0.000 0.000) 5.695 4.866 ( 0.197 0.000 0.000) 0.197 4.923 ( 6.808 0.000 0.000) 6.808 4.948 ( 11.862 0.000 0.000) 11.862 5.158 ( 8.462 0.000 0.000) 8.462 5.280 ( -0.093 0.000 0.000) 0.093 5.318 ( -5.484 0.000 0.000) 5.484 5.570 ( 3.323 0.000 0.000) 3.323 5.752 ( 7.361 0.000 0.000) 7.361 5.754 ( -1.294 0.000 0.000) 1.294 5.770 ( 9.024 0.000 0.000) 9.024 5.949 ( 21.945 0.000 0.000) 21.945 6.160 ( -0.236 0.000 0.000) 0.236 6.404 ( -3.207 0.000 0.000) 3.207 6.420 ( -9.710 0.000 0.000) 9.710 6.529 ( -4.314 0.000 0.000) 4.314 7.016 ( -1.047 0.000 0.000) 1.047 7.465 ( 13.514 0.000 0.000) 13.514 7.972 ( -27.243 0.000 0.000) 27.243 8.114 ( -21.263 0.000 0.000) 21.263 8.698 ( -24.240 0.000 0.000) 24.240 8.733 ( 1.308 0.000 0.000) 1.308 9.176 ( -1.819 0.000 0.000) 1.819 10.271 ( -11.474 0.000 0.000) 11.474 10.338 ( 4.365 0.000 0.000) 4.365 10.449 ( 10.481 0.000 0.000) 10.481 10.546 ( 7.101 0.000 0.000) 7.101 10.752 ( -7.717 0.000 0.000) 7.717 11.036 ( -3.514 0.000 0.000) 3.514 11.071 ( -3.426 0.000 0.000) 3.426 11.201 ( 0.284 0.000 0.000) 0.284 11.234 ( -0.688 0.000 0.000) 0.688 12.756 ( 16.262 0.000 0.000) 16.262 13.028 ( 11.879 0.000 0.000) 11.879 13.293 ( 2.450 0.000 0.000) 2.450 14.023 ( -8.116 0.000 0.000) 8.116 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 15.461 0.000 0.000) 15.461 1.671 ( 24.807 0.000 0.000) 24.807 2.087 ( 5.707 0.000 0.000) 5.707 2.091 ( -3.894 0.000 0.000) 3.894 2.167 ( -2.890 0.000 0.000) 2.890 2.194 ( 8.995 0.000 0.000) 8.995 2.232 ( -0.216 0.000 0.000) 0.216 2.421 ( -8.985 0.000 0.000) 8.985 2.554 ( -11.541 0.000 0.000) 11.541 2.632 ( -8.399 0.000 0.000) 8.399 2.652 ( -8.751 0.000 0.000) 8.751 2.662 ( 0.388 0.000 0.000) 0.388 2.810 ( -9.410 0.000 0.000) 9.410 2.881 ( -11.691 0.000 0.000) 11.691 3.146 ( 16.904 0.000 0.000) 16.904 3.426 ( 27.920 0.000 0.000) 27.920 3.536 ( 7.920 0.000 0.000) 7.920 3.549 ( -5.395 0.000 0.000) 5.395 3.815 ( -0.321 0.000 0.000) 0.321 3.912 ( 6.175 0.000 0.000) 6.175 4.121 ( -3.767 0.000 0.000) 3.767 4.236 ( -4.406 0.000 0.000) 4.406 4.316 ( 10.016 0.000 0.000) 10.016 4.480 ( 5.757 0.000 0.000) 5.757 4.819 ( 5.819 0.000 0.000) 5.819 4.873 ( 0.640 0.000 0.000) 0.640 5.045 ( 7.665 0.000 0.000) 7.665 5.173 ( 8.809 0.000 0.000) 8.809 5.229 ( -1.977 0.000 0.000) 1.977 5.283 ( 3.668 0.000 0.000) 3.668 5.291 ( 0.916 0.000 0.000) 0.916 5.615 ( 0.702 0.000 0.000) 0.702 5.706 ( -3.361 0.000 0.000) 3.361 5.775 ( -15.231 0.000 0.000) 15.231 5.919 ( 8.573 0.000 0.000) 8.573 6.141 ( -1.617 0.000 0.000) 1.617 6.230 ( -0.681 0.000 0.000) 0.681 6.433 ( -5.222 0.000 0.000) 5.222 6.441 ( 9.145 0.000 0.000) 9.145 6.462 ( 27.504 0.000 0.000) 27.504 7.167 ( 14.720 0.000 0.000) 14.720 7.392 ( -29.128 0.000 0.000) 29.128 7.631 ( -26.184 0.000 0.000) 26.184 7.754 ( 11.626 0.000 0.000) 11.626 8.209 ( -20.480 0.000 0.000) 20.480 8.592 ( -14.061 0.000 0.000) 14.061 9.298 ( 12.762 0.000 0.000) 12.762 9.965 ( -17.214 0.000 0.000) 17.214 10.423 ( 4.121 0.000 0.000) 4.121 10.600 ( -3.251 0.000 0.000) 3.251 10.665 ( 6.626 0.000 0.000) 6.626 10.715 ( 8.380 0.000 0.000) 8.380 10.948 ( -5.313 0.000 0.000) 5.313 10.987 ( -5.020 0.000 0.000) 5.020 11.207 ( 0.346 0.000 0.000) 0.346 11.223 ( -0.452 0.000 0.000) 0.452 13.052 ( 12.507 0.000 0.000) 12.507 13.292 ( 13.953 0.000 0.000) 13.953 13.314 ( -0.825 0.000 0.000) 0.825 13.826 ( -11.399 0.000 0.000) 11.399 ======================= Grid point 4 (5/100) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( -14.762 0.000 0.000) 14.762 1.951 ( 14.762 0.000 0.000) 14.762 2.066 ( -7.515 0.000 0.000) 7.515 2.066 ( 7.515 0.000 0.000) 7.515 2.153 ( -15.479 0.000 0.000) 15.479 2.153 ( 15.479 0.000 0.000) 15.479 2.321 ( -9.746 0.000 0.000) 9.746 2.321 ( 9.746 0.000 0.000) 9.746 2.433 ( -11.903 0.000 0.000) 11.903 2.433 ( 11.903 0.000 0.000) 11.903 2.672 ( -8.447 0.000 0.000) 8.447 2.672 ( 8.447 0.000 0.000) 8.447 2.689 ( -2.728 0.000 0.000) 2.728 2.689 ( 2.728 0.000 0.000) 2.728 3.409 ( -9.442 0.000 0.000) 9.442 3.409 ( 9.442 0.000 0.000) 9.442 3.650 ( -2.826 0.000 0.000) 2.826 3.650 ( 2.826 0.000 0.000) 2.826 4.028 ( -0.211 0.000 0.000) 0.211 4.028 ( 0.211 0.000 0.000) 0.211 4.037 ( -10.694 0.000 0.000) 10.694 4.037 ( 10.694 0.000 0.000) 10.694 4.479 ( -5.223 0.000 0.000) 5.223 4.479 ( 5.223 0.000 0.000) 5.223 4.881 ( -0.489 0.000 0.000) 0.489 4.881 ( 0.489 0.000 0.000) 0.489 5.244 ( -1.286 0.000 0.000) 1.286 5.244 ( 1.286 0.000 0.000) 1.286 5.291 ( -5.677 0.000 0.000) 5.677 5.291 ( 5.677 0.000 0.000) 5.677 5.356 ( -15.306 0.000 0.000) 15.306 5.356 ( 15.306 0.000 0.000) 15.306 5.637 ( -2.660 0.000 0.000) 2.660 5.637 ( 2.660 0.000 0.000) 2.660 6.070 ( -5.823 0.000 0.000) 5.823 6.070 ( 5.823 0.000 0.000) 5.823 6.320 ( -5.982 0.000 0.000) 5.982 6.320 ( 5.982 0.000 0.000) 5.982 6.770 ( -18.106 0.000 0.000) 18.106 6.770 ( 18.106 0.000 0.000) 18.106 7.100 ( -22.195 0.000 0.000) 22.195 7.100 ( 22.195 0.000 0.000) 22.195 7.558 ( -22.256 0.000 0.000) 22.256 7.558 ( 22.256 0.000 0.000) 22.256 8.259 ( -16.939 0.000 0.000) 16.939 8.259 ( 16.939 0.000 0.000) 16.939 9.612 ( -17.346 0.000 0.000) 17.346 9.612 ( 17.346 0.000 0.000) 17.346 10.507 ( -4.365 0.000 0.000) 4.365 10.507 ( 4.365 0.000 0.000) 4.365 10.822 ( -7.220 0.000 0.000) 7.220 10.822 ( 7.220 0.000 0.000) 7.220 10.868 ( -6.783 0.000 0.000) 6.783 10.868 ( 6.783 0.000 0.000) 6.783 11.214 ( -0.386 0.000 0.000) 0.386 11.214 ( 0.386 0.000 0.000) 0.386 13.244 ( -6.457 0.000 0.000) 6.457 13.244 ( 6.457 0.000 0.000) 6.457 13.572 ( -13.562 0.000 0.000) 13.562 13.572 ( 13.562 0.000 0.000) 13.562 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 0.000 27.155 0.000) 27.155 0.556 ( 0.000 28.559 0.000) 28.559 1.152 ( 0.000 56.600 0.000) 56.600 1.745 ( 0.000 -0.754 0.000) 0.754 1.838 ( 0.000 -3.994 0.000) 3.994 2.277 ( 0.000 -11.864 0.000) 11.864 2.364 ( 0.000 -13.108 0.000) 13.108 2.553 ( 0.000 -7.229 0.000) 7.229 2.655 ( 0.000 -6.799 0.000) 6.799 2.775 ( 0.000 4.239 0.000) 4.239 2.805 ( 0.000 2.223 0.000) 2.223 2.933 ( 0.000 0.928 0.000) 0.928 2.966 ( 0.000 -4.440 0.000) 4.440 3.120 ( 0.000 13.467 0.000) 13.467 3.186 ( 0.000 3.139 0.000) 3.139 3.363 ( 0.000 0.348 0.000) 0.348 3.682 ( 0.000 -2.760 0.000) 2.760 3.706 ( 0.000 -8.410 0.000) 8.410 3.862 ( 0.000 3.622 0.000) 3.622 3.974 ( 0.000 -6.686 0.000) 6.686 4.103 ( 0.000 16.308 0.000) 16.308 4.107 ( 0.000 -5.313 0.000) 5.313 4.170 ( 0.000 0.583 0.000) 0.583 4.260 ( 0.000 0.054 0.000) 0.054 4.260 ( 0.000 31.260 0.000) 31.260 4.566 ( 0.000 -4.785 0.000) 4.785 4.584 ( 0.000 -3.453 0.000) 3.453 4.896 ( 0.000 2.864 0.000) 2.864 4.989 ( 0.000 6.025 0.000) 6.025 5.172 ( 0.000 -9.802 0.000) 9.802 5.440 ( 0.000 10.342 0.000) 10.342 5.536 ( 0.000 2.443 0.000) 2.443 5.569 ( 0.000 -5.285 0.000) 5.285 5.611 ( 0.000 1.034 0.000) 1.034 5.675 ( 0.000 13.609 0.000) 13.609 5.982 ( 0.000 5.929 0.000) 5.929 6.165 ( 0.000 -3.092 0.000) 3.092 6.344 ( 0.000 -5.366 0.000) 5.366 6.539 ( 0.000 -7.809 0.000) 7.809 6.591 ( 0.000 6.205 0.000) 6.205 7.065 ( 0.000 14.384 0.000) 14.384 7.230 ( 0.000 -4.482 0.000) 4.482 8.328 ( 0.000 -27.156 0.000) 27.156 8.642 ( 0.000 4.779 0.000) 4.779 8.843 ( 0.000 5.643 0.000) 5.643 9.230 ( 0.000 -6.868 0.000) 6.868 9.239 ( 0.000 -7.727 0.000) 7.727 10.146 ( 0.000 0.122 0.000) 0.122 10.174 ( 0.000 -0.214 0.000) 0.214 10.223 ( 0.000 -35.945 0.000) 35.945 10.336 ( 0.000 10.512 0.000) 10.512 11.036 ( 0.000 0.149 0.000) 0.149 11.058 ( 0.000 -0.372 0.000) 0.372 11.105 ( 0.000 -1.056 0.000) 1.056 11.139 ( 0.000 -4.696 0.000) 4.696 11.142 ( 0.000 -0.271 0.000) 0.271 12.615 ( 0.000 27.617 0.000) 27.617 12.816 ( 0.000 5.348 0.000) 5.348 13.202 ( 0.000 -1.025 0.000) 1.025 14.211 ( 0.000 -7.403 0.000) 7.403 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.12 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 23.468 14.861 0.000) 27.778 0.925 ( 21.215 21.654 0.000) 30.314 1.512 ( 34.580 38.996 0.000) 52.120 1.805 ( 5.585 -0.982 0.000) 5.671 1.920 ( 7.106 -4.878 0.000) 8.619 2.257 ( -1.354 -9.287 0.000) 9.385 2.352 ( -11.885 -1.072 0.000) 11.933 2.372 ( 7.706 -4.459 0.000) 8.903 2.643 ( -6.078 1.451 0.000) 6.249 2.780 ( 2.158 -9.649 0.000) 9.887 2.796 ( -7.378 0.371 0.000) 7.387 2.929 ( 0.038 3.806 0.000) 3.806 2.940 ( -3.174 -0.384 0.000) 3.198 3.084 ( -15.940 7.041 0.000) 17.426 3.132 ( 2.437 -0.818 0.000) 2.571 3.323 ( 7.258 11.876 0.000) 13.918 3.467 ( -16.705 -8.648 0.000) 18.811 3.621 ( -5.244 -10.884 0.000) 12.082 3.838 ( 0.582 -0.048 0.000) 0.584 3.966 ( 1.805 -1.560 0.000) 2.385 4.070 ( -3.872 11.642 0.000) 12.269 4.156 ( 4.105 13.743 0.000) 14.343 4.249 ( 2.423 2.450 0.000) 3.445 4.256 ( 1.568 14.992 0.000) 15.074 4.496 ( 14.601 -8.700 0.000) 16.996 4.640 ( 8.503 -4.084 0.000) 9.433 4.683 ( 7.836 -0.820 0.000) 7.879 4.921 ( 2.045 3.979 0.000) 4.474 5.037 ( 4.949 4.626 0.000) 6.775 5.209 ( 3.881 -7.210 0.000) 8.188 5.444 ( 4.465 0.895 0.000) 4.554 5.542 ( 0.830 3.100 0.000) 3.209 5.620 ( -0.681 3.487 0.000) 3.553 5.716 ( 4.142 11.318 0.000) 12.053 5.748 ( 10.346 4.373 0.000) 11.232 5.939 ( -1.645 13.464 0.000) 13.564 6.142 ( -1.576 -3.012 0.000) 3.400 6.383 ( 2.198 -6.067 0.000) 6.453 6.530 ( -1.678 -7.317 0.000) 7.507 6.559 ( -2.985 5.886 0.000) 6.600 7.126 ( -9.187 -4.057 0.000) 10.043 7.199 ( 9.710 3.306 0.000) 10.258 8.347 ( -0.699 -23.386 0.000) 23.396 8.556 ( -5.626 2.263 0.000) 6.065 8.588 ( -20.708 10.279 0.000) 23.119 9.062 ( -16.239 -6.747 0.000) 17.585 9.173 ( -5.625 -7.656 0.000) 9.500 10.099 ( -7.056 -30.709 0.000) 31.509 10.249 ( 8.934 0.336 0.000) 8.940 10.326 ( 8.655 -5.413 0.000) 10.208 10.370 ( 3.010 10.062 0.000) 10.502 10.958 ( -4.982 2.310 0.000) 5.491 11.089 ( -1.625 -0.314 0.000) 1.655 11.121 ( -1.812 -0.593 0.000) 1.906 11.137 ( 2.384 -6.561 0.000) 6.981 11.142 ( 0.163 -4.877 0.000) 4.880 12.716 ( 9.315 24.135 0.000) 25.871 12.885 ( 6.652 5.001 0.000) 8.323 13.233 ( 2.809 -0.686 0.000) 2.891 14.143 ( -5.248 -3.718 0.000) 6.432 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 19.768 4.057 0.000) 20.180 1.310 ( 18.119 13.823 0.000) 22.790 1.929 ( 5.917 -1.135 0.000) 6.025 2.062 ( 5.291 -6.039 0.000) 8.029 2.153 ( 6.026 0.976 0.000) 6.104 2.170 ( -4.201 1.109 0.000) 4.345 2.299 ( 18.788 18.060 0.000) 26.060 2.466 ( -4.628 -12.052 0.000) 12.910 2.619 ( -8.552 2.571 0.000) 8.930 2.661 ( 4.910 -1.040 0.000) 5.019 2.676 ( -10.799 -6.535 0.000) 12.622 2.863 ( 11.385 9.500 0.000) 14.828 2.948 ( -0.875 -1.977 0.000) 2.162 3.036 ( 0.421 -4.746 0.000) 4.765 3.081 ( -12.508 9.550 0.000) 15.738 3.091 ( -4.650 -4.293 0.000) 6.328 3.441 ( 5.085 9.745 0.000) 10.992 3.594 ( 0.852 -6.547 0.000) 6.602 3.788 ( -3.844 -4.607 0.000) 6.000 3.965 ( -4.271 13.462 0.000) 14.124 4.041 ( 1.701 -9.252 0.000) 9.407 4.284 ( 3.422 10.121 0.000) 10.684 4.321 ( 8.449 12.825 0.000) 15.358 4.385 ( 10.622 4.706 0.000) 11.617 4.678 ( 7.167 -2.013 0.000) 7.445 4.813 ( 3.504 -2.499 0.000) 4.304 4.856 ( 9.489 -4.362 0.000) 10.444 4.991 ( 5.723 4.603 0.000) 7.344 5.161 ( 6.392 1.018 0.000) 6.473 5.320 ( 6.524 1.426 0.000) 6.678 5.514 ( -4.763 13.160 0.000) 13.996 5.578 ( 2.592 2.177 0.000) 3.385 5.608 ( 6.800 -9.462 0.000) 11.652 5.824 ( 5.337 6.332 0.000) 8.281 5.875 ( -0.809 13.811 0.000) 13.835 6.084 ( 18.550 7.888 0.000) 20.157 6.115 ( -1.099 -3.602 0.000) 3.766 6.361 ( -6.652 -5.060 0.000) 8.358 6.473 ( -4.216 5.528 0.000) 6.952 6.478 ( -3.002 -4.422 0.000) 5.344 6.973 ( -1.895 -4.208 0.000) 4.615 7.418 ( 11.717 -1.641 0.000) 11.831 8.101 ( -26.248 10.929 0.000) 28.433 8.126 ( -18.919 -1.620 0.000) 18.989 8.590 ( 5.673 -14.139 0.000) 15.235 8.647 ( -23.785 -5.375 0.000) 24.385 9.023 ( -7.720 -11.796 0.000) 14.098 9.902 ( -12.093 -32.987 0.000) 35.134 10.442 ( 3.900 9.162 0.000) 9.957 10.454 ( 10.555 0.446 0.000) 10.565 10.520 ( 9.886 -1.159 0.000) 9.953 10.836 ( -6.696 4.662 0.000) 8.159 11.038 ( -3.449 0.149 0.000) 3.452 11.069 ( -3.397 -0.269 0.000) 3.408 11.148 ( 0.362 -5.244 0.000) 5.257 11.159 ( 0.381 -6.342 0.000) 6.353 12.944 ( 12.129 17.298 0.000) 21.127 13.070 ( 11.290 4.055 0.000) 11.996 13.299 ( 3.247 0.432 0.000) 3.275 14.012 ( -7.896 -2.155 0.000) 8.185 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.38 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 11.490 -4.038 0.000) 12.179 1.656 ( 16.090 0.717 0.000) 16.106 1.973 ( -1.038 -4.765 0.000) 4.876 2.116 ( 0.849 -4.946 0.000) 5.018 2.183 ( -2.585 -4.555 0.000) 5.237 2.193 ( 4.042 -1.531 0.000) 4.322 2.324 ( 0.014 2.554 0.000) 2.554 2.380 ( -15.559 -5.727 0.000) 16.580 2.503 ( -4.283 1.724 0.000) 4.617 2.524 ( -7.235 -4.740 0.000) 8.650 2.577 ( 2.427 7.945 0.000) 8.308 2.853 ( -6.051 1.811 0.000) 6.317 2.947 ( -4.030 15.022 0.000) 15.553 3.006 ( -5.581 5.791 0.000) 8.042 3.157 ( 16.323 2.480 0.000) 16.510 3.468 ( 26.975 6.136 0.000) 27.664 3.504 ( -0.425 7.633 0.000) 7.644 3.591 ( 0.211 -2.839 0.000) 2.847 3.740 ( 1.821 -5.368 0.000) 5.669 3.942 ( 1.462 3.241 0.000) 3.556 4.034 ( -1.680 -7.476 0.000) 7.663 4.273 ( -4.276 4.978 0.000) 6.562 4.536 ( 9.850 16.742 0.000) 19.425 4.590 ( 7.628 4.536 0.000) 8.875 4.833 ( 8.268 2.252 0.000) 8.569 4.859 ( 2.799 -0.318 0.000) 2.817 5.026 ( 9.079 -0.893 0.000) 9.123 5.111 ( 4.858 -0.356 0.000) 4.871 5.255 ( 1.934 -2.222 0.000) 2.946 5.374 ( -6.104 12.102 0.000) 13.554 5.432 ( 2.702 8.561 0.000) 8.977 5.601 ( -2.177 -1.931 0.000) 2.910 5.796 ( 9.894 -10.128 0.000) 14.159 5.805 ( -11.202 4.434 0.000) 12.048 5.824 ( -3.744 12.404 0.000) 12.957 6.059 ( -3.953 -7.052 0.000) 8.084 6.212 ( -0.306 -0.702 0.000) 0.765 6.361 ( -1.564 -5.022 0.000) 5.260 6.522 ( 9.980 6.853 0.000) 12.106 6.584 ( 22.378 9.188 0.000) 24.191 7.108 ( 14.010 -5.507 0.000) 15.053 7.431 ( -21.921 3.068 0.000) 22.135 7.681 ( -24.171 3.660 0.000) 24.447 7.777 ( 2.577 2.766 0.000) 3.780 8.171 ( -19.014 -3.777 0.000) 19.386 8.546 ( -12.120 -4.881 0.000) 13.066 9.030 ( 10.199 -24.534 0.000) 26.570 9.625 ( -15.125 -30.662 0.000) 34.189 10.520 ( 3.855 8.297 0.000) 9.149 10.649 ( 7.322 1.307 0.000) 7.437 10.704 ( 4.518 1.795 0.000) 4.862 10.717 ( 0.232 3.264 0.000) 3.272 10.951 ( -5.279 0.267 0.000) 5.286 10.984 ( -5.040 -0.254 0.000) 5.046 11.155 ( 0.319 -5.181 0.000) 5.191 11.162 ( 0.004 -5.710 0.000) 5.710 13.167 ( 9.419 10.909 0.000) 14.413 13.319 ( 12.509 2.610 0.000) 12.778 13.343 ( 1.271 2.634 0.000) 2.925 13.824 ( -10.735 -0.655 0.000) 10.755 ======================= Grid point 13 (10/100) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -7.860 -9.366 0.000) 12.227 1.810 ( 7.860 -9.366 0.000) 12.227 2.025 ( -12.812 -5.074 0.000) 13.780 2.025 ( 12.812 -5.074 0.000) 13.780 2.120 ( -1.152 -2.038 0.000) 2.341 2.120 ( 1.152 -2.038 0.000) 2.341 2.321 ( -5.025 -2.532 0.000) 5.627 2.321 ( 5.025 -2.532 0.000) 5.627 2.441 ( -2.821 -1.824 0.000) 3.360 2.441 ( 2.821 -1.824 0.000) 3.360 2.730 ( -7.374 8.829 0.000) 11.503 2.730 ( 7.374 8.829 0.000) 11.503 2.901 ( -1.711 14.603 0.000) 14.703 2.901 ( 1.711 14.603 0.000) 14.703 3.408 ( -8.550 2.850 0.000) 9.012 3.408 ( 8.550 2.850 0.000) 9.012 3.621 ( -1.519 -0.812 0.000) 1.722 3.621 ( 1.519 -0.812 0.000) 1.722 3.988 ( -2.609 -3.888 0.000) 4.683 3.988 ( 2.609 -3.888 0.000) 4.683 4.065 ( -17.560 3.624 0.000) 17.930 4.065 ( 17.560 3.624 0.000) 17.930 4.652 ( -1.342 8.861 0.000) 8.962 4.652 ( 1.342 8.861 0.000) 8.962 4.928 ( -1.324 8.114 0.000) 8.221 4.928 ( 1.324 8.114 0.000) 8.221 5.183 ( -2.622 -2.648 0.000) 3.726 5.183 ( 2.622 -2.648 0.000) 3.726 5.325 ( -18.274 -1.578 0.000) 18.342 5.325 ( 18.274 -1.578 0.000) 18.342 5.384 ( -4.828 5.254 0.000) 7.136 5.384 ( 4.828 5.254 0.000) 7.136 5.735 ( -4.123 9.622 0.000) 10.469 5.735 ( 4.123 9.622 0.000) 10.469 5.972 ( -6.703 -9.281 0.000) 11.448 5.972 ( 6.703 -9.281 0.000) 11.448 6.280 ( -4.858 -1.914 0.000) 5.221 6.280 ( 4.858 -1.914 0.000) 5.221 6.851 ( -17.237 7.423 0.000) 18.768 6.851 ( 17.237 7.423 0.000) 18.768 7.162 ( -18.515 5.308 0.000) 19.261 7.162 ( 18.515 5.308 0.000) 19.261 7.522 ( -20.943 -3.761 0.000) 21.278 7.522 ( 20.943 -3.761 0.000) 21.278 8.234 ( -16.084 -2.435 0.000) 16.267 8.234 ( 16.084 -2.435 0.000) 16.267 9.310 ( -15.716 -27.966 0.000) 32.080 9.310 ( 15.716 -27.966 0.000) 32.080 10.601 ( -4.289 7.493 0.000) 8.634 10.601 ( 4.289 7.493 0.000) 8.634 10.825 ( -7.159 0.353 0.000) 7.168 10.825 ( 7.159 0.353 0.000) 7.168 10.865 ( -6.849 -0.340 0.000) 6.857 10.865 ( 6.849 -0.340 0.000) 6.857 11.160 ( -0.179 -5.313 0.000) 5.316 11.160 ( 0.179 -5.313 0.000) 5.316 13.307 ( -4.299 5.975 0.000) 7.361 13.307 ( 4.299 5.975 0.000) 7.361 13.586 ( -12.772 1.050 0.000) 12.815 13.586 ( 12.772 1.050 0.000) 12.815 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 0.000 23.981 0.000) 23.981 1.084 ( 0.000 26.240 0.000) 26.240 1.691 ( 0.000 -0.385 0.000) 0.385 1.704 ( 0.000 -10.279 0.000) 10.279 2.042 ( 0.000 -11.475 0.000) 11.475 2.056 ( 0.000 -13.792 0.000) 13.792 2.182 ( 0.000 41.410 0.000) 41.410 2.444 ( 0.000 -3.857 0.000) 3.857 2.515 ( 0.000 -6.922 0.000) 6.922 2.822 ( 0.000 0.689 0.000) 0.689 2.838 ( 0.000 1.550 0.000) 1.550 2.894 ( 0.000 -1.786 0.000) 1.786 2.932 ( 0.000 -1.108 0.000) 1.108 3.272 ( 0.000 5.768 0.000) 5.768 3.314 ( 0.000 -9.088 0.000) 9.088 3.401 ( 0.000 14.450 0.000) 14.450 3.556 ( 0.000 -6.868 0.000) 6.868 3.632 ( 0.000 -0.038 0.000) 0.038 3.839 ( 0.000 -7.176 0.000) 7.176 3.945 ( 0.000 -11.232 0.000) 11.232 3.951 ( 0.000 5.215 0.000) 5.215 4.135 ( 0.000 -3.578 0.000) 3.578 4.278 ( 0.000 1.726 0.000) 1.726 4.374 ( 0.000 12.703 0.000) 12.703 4.445 ( 0.000 -7.006 0.000) 7.006 4.568 ( 0.000 1.275 0.000) 1.275 4.856 ( 0.000 7.162 0.000) 7.162 4.882 ( 0.000 -4.004 0.000) 4.004 5.133 ( 0.000 8.461 0.000) 8.461 5.162 ( 0.000 24.879 0.000) 24.879 5.445 ( 0.000 -7.150 0.000) 7.150 5.618 ( 0.000 4.987 0.000) 4.987 5.643 ( 0.000 8.601 0.000) 8.601 5.665 ( 0.000 3.929 0.000) 3.929 6.004 ( 0.000 23.388 0.000) 23.388 6.090 ( 0.000 -4.122 0.000) 4.122 6.097 ( 0.000 5.894 0.000) 5.894 6.209 ( 0.000 -7.991 0.000) 7.991 6.372 ( 0.000 -8.995 0.000) 8.995 6.746 ( 0.000 9.448 0.000) 9.448 7.108 ( 0.000 -7.986 0.000) 7.986 7.485 ( 0.000 30.037 0.000) 30.037 7.617 ( 0.000 -44.980 0.000) 44.980 8.766 ( 0.000 7.767 0.000) 7.767 8.926 ( 0.000 -28.880 0.000) 28.880 8.990 ( 0.000 9.442 0.000) 9.442 9.086 ( 0.000 -8.006 0.000) 8.006 9.546 ( 0.000 -27.548 0.000) 27.548 10.152 ( 0.000 0.375 0.000) 0.375 10.168 ( 0.000 -0.372 0.000) 0.372 10.558 ( 0.000 11.864 0.000) 11.864 10.978 ( 0.000 -9.421 0.000) 9.421 11.040 ( 0.000 0.263 0.000) 0.263 11.051 ( 0.000 -0.320 0.000) 0.320 11.119 ( 0.000 0.278 0.000) 0.278 11.135 ( 0.000 -0.426 0.000) 0.426 12.943 ( 0.000 7.291 0.000) 7.291 13.163 ( 0.000 -3.254 0.000) 3.254 13.165 ( 0.000 27.830 0.000) 27.830 13.998 ( 0.000 -14.792 0.000) 14.792 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 12.257 18.356 0.000) 22.072 1.334 ( 17.303 21.428 0.000) 27.542 1.770 ( 5.560 -10.884 0.000) 12.222 1.778 ( 7.209 0.474 0.000) 7.225 2.011 ( -1.146 -9.387 0.000) 9.457 2.140 ( 8.085 -15.735 0.000) 17.691 2.349 ( -6.374 1.351 0.000) 6.516 2.351 ( 16.003 36.182 0.000) 39.563 2.582 ( 2.602 -9.751 0.000) 10.092 2.725 ( -5.149 4.513 0.000) 6.847 2.823 ( -5.037 2.508 0.000) 5.627 2.912 ( 2.625 -4.627 0.000) 5.320 2.960 ( -0.545 -0.316 0.000) 0.630 3.118 ( -6.317 2.040 0.000) 6.638 3.125 ( -13.493 -3.105 0.000) 13.845 3.400 ( -8.376 -8.758 0.000) 12.119 3.472 ( -8.972 7.813 0.000) 11.898 3.592 ( 8.816 11.915 0.000) 14.822 3.864 ( -3.803 -0.740 0.000) 3.874 3.895 ( -3.943 -2.952 0.000) 4.925 4.018 ( 4.114 -8.226 0.000) 9.198 4.175 ( 3.854 -11.581 0.000) 12.206 4.405 ( 12.757 1.762 0.000) 12.878 4.430 ( 5.511 12.568 0.000) 13.723 4.560 ( 10.104 -4.538 0.000) 11.076 4.564 ( -0.788 7.093 0.000) 7.136 4.764 ( -2.290 1.378 0.000) 2.673 5.039 ( 8.041 -9.245 0.000) 12.252 5.159 ( 2.369 7.386 0.000) 7.756 5.201 ( 4.424 29.277 0.000) 29.609 5.406 ( -0.118 -4.185 0.000) 4.187 5.646 ( 2.753 6.471 0.000) 7.032 5.716 ( 3.493 6.513 0.000) 7.390 5.853 ( 14.294 4.230 0.000) 14.907 5.976 ( -2.107 9.881 0.000) 10.104 6.109 ( 1.690 7.161 0.000) 7.357 6.137 ( 3.547 7.056 0.000) 7.897 6.239 ( 2.257 -6.952 0.000) 7.309 6.364 ( -0.031 -8.634 0.000) 8.634 6.699 ( -4.413 8.405 0.000) 9.493 7.017 ( -8.195 -7.201 0.000) 10.909 7.488 ( 0.645 26.393 0.000) 26.401 7.666 ( 4.502 -44.095 0.000) 44.324 8.674 ( -8.543 8.174 0.000) 11.823 8.769 ( -17.317 -1.465 0.000) 17.379 8.826 ( -12.817 -11.098 0.000) 16.954 9.016 ( -6.909 -8.625 0.000) 11.051 9.415 ( -10.499 -31.509 0.000) 33.212 10.259 ( 9.153 0.639 0.000) 9.176 10.290 ( 9.837 -0.977 0.000) 9.886 10.582 ( 2.198 11.400 0.000) 11.610 10.987 ( 0.768 -9.027 0.000) 9.060 10.990 ( -3.677 1.344 0.000) 3.915 11.054 ( -0.519 -2.687 0.000) 2.737 11.101 ( -1.752 0.227 0.000) 1.767 11.117 ( -1.792 -0.428 0.000) 1.842 13.004 ( 5.821 6.777 0.000) 8.933 13.203 ( 3.684 -2.725 0.000) 4.583 13.214 ( 4.456 25.675 0.000) 26.059 13.980 ( -2.051 -12.931 0.000) 13.093 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 10.323 8.721 0.000) 13.514 1.592 ( 8.831 14.951 0.000) 17.365 1.881 ( 4.552 -12.444 0.000) 13.250 1.890 ( 2.320 -1.209 0.000) 2.616 2.023 ( 2.137 -8.882 0.000) 9.135 2.226 ( -4.994 5.101 0.000) 7.138 2.243 ( -0.999 -12.544 0.000) 12.583 2.524 ( -9.188 -8.765 0.000) 12.699 2.652 ( -0.271 0.489 0.000) 0.559 2.698 ( -6.417 5.545 0.000) 8.481 2.709 ( -1.483 5.083 0.000) 5.295 2.947 ( 18.249 13.882 0.000) 22.929 2.968 ( -0.294 -5.425 0.000) 5.433 2.999 ( -3.030 4.576 0.000) 5.488 3.079 ( 11.715 8.898 0.000) 14.711 3.352 ( -2.199 14.098 0.000) 14.268 3.360 ( 4.167 -10.443 0.000) 11.244 3.725 ( 3.837 11.663 0.000) 12.278 3.754 ( -5.018 2.550 0.000) 5.628 3.852 ( -0.454 -10.626 0.000) 10.636 4.048 ( -1.368 -3.310 0.000) 3.581 4.307 ( 9.086 -14.014 0.000) 16.702 4.518 ( -1.458 10.681 0.000) 10.780 4.602 ( 8.474 15.053 0.000) 17.274 4.667 ( 12.220 2.315 0.000) 12.437 4.760 ( 1.579 -4.262 0.000) 4.545 4.793 ( 11.799 -2.860 0.000) 12.140 5.169 ( 5.306 -4.406 0.000) 6.897 5.215 ( 2.670 4.543 0.000) 5.269 5.331 ( 7.047 17.044 0.000) 18.444 5.446 ( 3.500 -7.249 0.000) 8.050 5.725 ( -2.334 10.169 0.000) 10.434 5.726 ( 4.340 11.209 0.000) 12.020 5.907 ( -4.827 -3.056 0.000) 5.713 6.109 ( 1.995 -4.618 0.000) 5.031 6.190 ( 6.208 18.372 0.000) 19.392 6.223 ( -6.260 -7.749 0.000) 9.962 6.224 ( 11.796 15.766 0.000) 19.691 6.435 ( 8.351 0.944 0.000) 8.404 6.602 ( -3.228 7.619 0.000) 8.274 6.868 ( -3.065 -6.371 0.000) 7.070 7.522 ( 2.500 15.097 0.000) 15.302 7.754 ( 1.996 -37.914 0.000) 37.967 8.318 ( -25.260 8.592 0.000) 26.681 8.475 ( -8.907 4.871 0.000) 10.152 8.485 ( -20.590 -10.320 0.000) 23.031 8.818 ( -12.347 -9.873 0.000) 15.809 9.186 ( -11.887 -37.423 0.000) 39.265 10.466 ( 10.561 0.743 0.000) 10.587 10.500 ( 10.406 -0.989 0.000) 10.453 10.635 ( 2.822 10.332 0.000) 10.711 10.904 ( -4.589 2.908 0.000) 5.433 11.004 ( 0.648 -7.696 0.000) 7.723 11.042 ( -0.458 -5.230 0.000) 5.250 11.050 ( -3.232 -0.315 0.000) 3.248 11.064 ( -3.421 -0.545 0.000) 3.464 13.164 ( 9.731 5.254 0.000) 11.059 13.297 ( 5.212 -1.012 0.000) 5.309 13.320 ( 5.488 20.130 0.000) 20.865 13.909 ( -5.026 -8.925 0.000) 10.243 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 5.430 1.667 0.000) 5.680 1.727 ( 4.433 6.418 0.000) 7.800 1.900 ( -1.057 -2.495 0.000) 2.710 1.935 ( 0.769 -13.395 0.000) 13.417 2.018 ( -3.060 -8.506 0.000) 9.039 2.168 ( -1.100 0.276 0.000) 1.134 2.187 ( -0.930 -13.903 0.000) 13.934 2.274 ( -13.306 -4.726 0.000) 14.120 2.526 ( -4.974 6.482 0.000) 8.171 2.598 ( -3.685 7.182 0.000) 8.072 2.733 ( 4.373 0.144 0.000) 4.375 2.874 ( -3.904 -3.498 0.000) 5.241 3.070 ( 3.897 7.064 0.000) 8.068 3.220 ( -3.634 13.928 0.000) 14.394 3.302 ( 13.746 9.633 0.000) 16.785 3.466 ( 4.740 -9.207 0.000) 10.355 3.644 ( 16.750 -1.958 0.000) 16.864 3.727 ( 12.540 18.130 0.000) 22.044 3.744 ( -1.700 12.176 0.000) 12.294 3.861 ( 1.432 -9.553 0.000) 9.660 3.982 ( -4.309 -0.396 0.000) 4.327 4.445 ( -6.466 11.779 0.000) 13.437 4.509 ( 9.682 -12.235 0.000) 15.603 4.694 ( -0.191 -0.040 0.000) 0.195 4.902 ( 11.881 4.614 0.000) 12.746 4.907 ( 12.447 4.208 0.000) 13.139 5.023 ( 11.710 -0.464 0.000) 11.720 5.241 ( -0.595 2.257 0.000) 2.334 5.252 ( 2.351 5.835 0.000) 6.291 5.435 ( 1.285 -0.087 0.000) 1.288 5.503 ( 0.110 -4.987 0.000) 4.989 5.674 ( -9.788 6.826 0.000) 11.934 5.687 ( 1.287 5.441 0.000) 5.591 5.866 ( -0.188 -3.677 0.000) 3.682 5.955 ( -14.917 -1.850 0.000) 15.031 6.018 ( -7.016 -1.702 0.000) 7.220 6.342 ( 6.752 20.834 0.000) 21.901 6.423 ( 4.324 18.280 0.000) 18.784 6.672 ( 11.654 8.780 0.000) 14.591 6.747 ( 21.167 6.456 0.000) 22.129 6.979 ( 13.659 -7.493 0.000) 15.579 7.491 ( -11.604 4.243 0.000) 12.355 7.636 ( -14.193 -14.828 0.000) 20.526 7.840 ( -20.829 0.294 0.000) 20.831 8.103 ( -10.648 0.222 0.000) 10.650 8.398 ( -2.269 -9.105 0.000) 9.383 8.570 ( -7.400 -16.613 0.000) 18.187 8.938 ( -12.745 -37.700 0.000) 39.796 10.665 ( 8.985 0.732 0.000) 9.014 10.690 ( 2.669 8.992 0.000) 9.379 10.696 ( 8.887 -0.782 0.000) 8.922 10.818 ( -3.719 5.128 0.000) 6.334 10.957 ( -5.085 0.343 0.000) 5.097 10.977 ( -5.119 -0.446 0.000) 5.139 11.025 ( 0.422 -7.877 0.000) 7.889 11.036 ( -0.184 -6.718 0.000) 6.720 13.376 ( 10.405 2.804 0.000) 10.776 13.394 ( 4.543 2.120 0.000) 5.013 13.412 ( 3.202 13.289 0.000) 13.670 13.778 ( -7.935 -4.608 0.000) 9.176 ======================= Grid point 22 (15/100) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -6.709 -2.292 0.000) 7.089 1.687 ( 6.709 -2.292 0.000) 7.089 1.919 ( -2.297 -8.533 0.000) 8.837 1.919 ( 2.297 -8.533 0.000) 8.837 2.043 ( -7.093 -2.118 0.000) 7.402 2.043 ( 7.093 -2.118 0.000) 7.402 2.175 ( -0.544 -8.689 0.000) 8.706 2.175 ( 0.544 -8.689 0.000) 8.706 2.528 ( -3.235 8.598 0.000) 9.186 2.528 ( 3.235 8.598 0.000) 9.186 2.812 ( -2.984 -2.463 0.000) 3.869 2.812 ( 2.984 -2.463 0.000) 3.869 3.138 ( -3.476 12.074 0.000) 12.565 3.138 ( 3.476 12.074 0.000) 12.565 3.493 ( -3.805 -1.211 0.000) 3.993 3.493 ( 3.805 -1.211 0.000) 3.993 3.689 ( -2.078 8.990 0.000) 9.227 3.689 ( 2.078 8.990 0.000) 9.227 3.904 ( -3.106 -4.305 0.000) 5.308 3.904 ( 3.106 -4.305 0.000) 5.308 4.204 ( -18.738 11.649 0.000) 22.064 4.204 ( 18.738 11.649 0.000) 22.064 4.651 ( -4.205 -5.996 0.000) 7.323 4.651 ( 4.205 -5.996 0.000) 7.323 5.101 ( -2.823 3.476 0.000) 4.477 5.101 ( 2.823 3.476 0.000) 4.477 5.221 ( -4.741 4.592 0.000) 6.600 5.221 ( 4.741 4.592 0.000) 6.600 5.283 ( -13.573 0.796 0.000) 13.597 5.283 ( 13.573 0.796 0.000) 13.597 5.492 ( -3.300 3.615 0.000) 4.895 5.492 ( 3.300 3.615 0.000) 4.895 5.783 ( -5.915 -7.225 0.000) 9.338 5.783 ( 5.915 -7.225 0.000) 9.338 5.881 ( -4.973 0.420 0.000) 4.991 5.881 ( 4.973 0.420 0.000) 4.991 6.437 ( -2.353 23.524 0.000) 23.641 6.437 ( 2.353 23.524 0.000) 23.641 7.016 ( -15.217 8.956 0.000) 17.657 7.016 ( 15.217 8.956 0.000) 17.657 7.239 ( -7.711 0.933 0.000) 7.768 7.239 ( 7.711 0.933 0.000) 7.768 7.406 ( -16.446 -9.197 0.000) 18.843 7.406 ( 16.446 -9.197 0.000) 18.843 8.183 ( -12.523 -1.943 0.000) 12.673 8.183 ( 12.523 -1.943 0.000) 12.673 8.685 ( -11.823 -33.120 0.000) 35.167 8.685 ( 11.823 -33.120 0.000) 35.167 10.744 ( -2.556 7.152 0.000) 7.595 10.744 ( 2.556 7.152 0.000) 7.595 10.835 ( -6.779 0.731 0.000) 6.818 10.835 ( 6.779 0.731 0.000) 6.818 10.856 ( -7.000 -0.609 0.000) 7.026 10.856 ( 7.000 -0.609 0.000) 7.026 11.032 ( -0.257 -7.458 0.000) 7.463 11.032 ( 0.257 -7.458 0.000) 7.463 13.439 ( -0.572 6.999 0.000) 7.022 13.439 ( 0.572 6.999 0.000) 7.022 13.594 ( -10.171 -0.609 0.000) 10.189 13.594 ( 10.171 -0.609 0.000) 10.189 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 0.000 -18.012 0.000) 18.012 1.434 ( 0.000 18.012 0.000) 18.012 1.536 ( 0.000 -19.020 0.000) 19.020 1.536 ( 0.000 19.020 0.000) 19.020 1.886 ( 0.000 -2.593 0.000) 2.593 1.886 ( 0.000 2.593 0.000) 2.593 2.423 ( 0.000 -2.020 0.000) 2.020 2.423 ( 0.000 2.020 0.000) 2.020 2.788 ( 0.000 -8.805 0.000) 8.805 2.788 ( 0.000 8.805 0.000) 8.805 2.900 ( 0.000 -1.706 0.000) 1.706 2.900 ( 0.000 1.706 0.000) 1.706 2.969 ( 0.000 -21.457 0.000) 21.457 2.969 ( 0.000 21.457 0.000) 21.457 3.400 ( 0.000 -7.190 0.000) 7.190 3.400 ( 0.000 7.190 0.000) 7.190 3.698 ( 0.000 -14.052 0.000) 14.052 3.698 ( 0.000 14.052 0.000) 14.052 3.706 ( 0.000 -6.338 0.000) 6.338 3.706 ( 0.000 6.338 0.000) 6.338 4.050 ( 0.000 -4.981 0.000) 4.981 4.050 ( 0.000 4.981 0.000) 4.981 4.332 ( 0.000 -4.288 0.000) 4.288 4.332 ( 0.000 4.288 0.000) 4.288 4.560 ( 0.000 -4.965 0.000) 4.965 4.560 ( 0.000 4.965 0.000) 4.965 4.818 ( 0.000 -0.421 0.000) 0.421 4.818 ( 0.000 0.421 0.000) 0.421 5.297 ( 0.000 -8.314 0.000) 8.314 5.297 ( 0.000 8.314 0.000) 8.314 5.606 ( 0.000 -10.656 0.000) 10.656 5.606 ( 0.000 10.656 0.000) 10.656 5.721 ( 0.000 -0.442 0.000) 0.442 5.721 ( 0.000 0.442 0.000) 0.442 6.071 ( 0.000 -3.935 0.000) 3.935 6.071 ( 0.000 3.935 0.000) 3.935 6.216 ( 0.000 -6.975 0.000) 6.975 6.216 ( 0.000 6.975 0.000) 6.975 6.701 ( 0.000 -46.909 0.000) 46.909 6.701 ( 0.000 46.909 0.000) 46.909 6.935 ( 0.000 -9.830 0.000) 9.830 6.935 ( 0.000 9.830 0.000) 9.830 8.191 ( 0.000 -41.620 0.000) 41.620 8.191 ( 0.000 41.620 0.000) 41.620 8.926 ( 0.000 -8.617 0.000) 8.617 8.926 ( 0.000 8.617 0.000) 8.617 9.199 ( 0.000 -12.634 0.000) 12.634 9.199 ( 0.000 12.634 0.000) 12.634 10.160 ( 0.000 -0.432 0.000) 0.432 10.160 ( 0.000 0.432 0.000) 0.432 10.779 ( 0.000 -11.124 0.000) 11.124 10.779 ( 0.000 11.124 0.000) 11.124 11.045 ( 0.000 -0.319 0.000) 0.319 11.045 ( 0.000 0.319 0.000) 0.319 11.126 ( 0.000 -0.440 0.000) 0.440 11.126 ( 0.000 0.440 0.000) 0.440 13.074 ( 0.000 -5.982 0.000) 5.982 13.074 ( 0.000 5.982 0.000) 5.982 13.646 ( 0.000 -21.940 0.000) 21.940 13.646 ( 0.000 21.940 0.000) 21.940 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 6.231 -16.119 0.000) 17.281 1.508 ( 6.231 16.119 0.000) 17.281 1.719 ( 12.512 -16.076 0.000) 20.371 1.719 ( 12.512 16.076 0.000) 20.371 1.885 ( 2.157 -5.416 0.000) 5.830 1.885 ( 2.157 5.416 0.000) 5.830 2.422 ( -0.653 -6.429 0.000) 6.462 2.422 ( -0.653 6.429 0.000) 6.462 2.803 ( -3.832 -2.830 0.000) 4.764 2.803 ( -3.832 2.830 0.000) 4.764 2.898 ( -0.933 -4.650 0.000) 4.743 2.898 ( -0.933 4.650 0.000) 4.743 2.930 ( 3.471 -17.849 0.000) 18.183 2.930 ( 3.471 17.849 0.000) 18.183 3.230 ( -10.023 -8.173 0.000) 12.933 3.230 ( -10.023 8.173 0.000) 12.933 3.681 ( -2.049 -12.716 0.000) 12.880 3.681 ( -2.049 12.716 0.000) 12.880 3.824 ( 7.374 -11.504 0.000) 13.664 3.824 ( 7.374 11.504 0.000) 13.664 3.974 ( -5.117 -7.354 0.000) 8.959 3.974 ( -5.117 7.354 0.000) 8.959 4.473 ( 11.833 -4.345 0.000) 12.605 4.473 ( 11.833 4.345 0.000) 12.605 4.599 ( 3.368 -4.719 0.000) 5.798 4.599 ( 3.368 4.719 0.000) 5.798 4.837 ( 2.060 -9.742 0.000) 9.958 4.837 ( 2.060 9.742 0.000) 9.958 5.298 ( 0.514 -6.772 0.000) 6.792 5.298 ( 0.514 6.772 0.000) 6.792 5.641 ( 2.945 -11.128 0.000) 11.511 5.641 ( 2.945 11.128 0.000) 11.511 5.844 ( 8.906 -5.123 0.000) 10.275 5.844 ( 8.906 5.123 0.000) 10.275 6.048 ( -1.738 -7.105 0.000) 7.314 6.048 ( -1.738 7.105 0.000) 7.314 6.237 ( 3.329 -4.724 0.000) 5.779 6.237 ( 3.329 4.724 0.000) 5.779 6.745 ( 2.239 -40.998 0.000) 41.060 6.745 ( 2.239 40.998 0.000) 41.060 6.881 ( -3.206 -11.110 0.000) 11.564 6.881 ( -3.206 11.110 0.000) 11.564 8.147 ( -4.553 -39.320 0.000) 39.583 8.147 ( -4.553 39.320 0.000) 39.583 8.844 ( -7.860 -9.199 0.000) 12.100 8.844 ( -7.860 9.199 0.000) 12.100 9.017 ( -16.064 -13.678 0.000) 21.098 9.017 ( -16.064 13.678 0.000) 21.098 10.273 ( 9.468 -0.817 0.000) 9.503 10.273 ( 9.468 0.817 0.000) 9.503 10.795 ( 1.436 -10.721 0.000) 10.817 10.795 ( 1.436 10.721 0.000) 10.817 11.016 ( -2.529 -1.503 0.000) 2.942 11.016 ( -2.529 1.503 0.000) 2.942 11.108 ( -1.787 -0.429 0.000) 1.837 11.108 ( -1.787 0.429 0.000) 1.837 13.124 ( 4.769 -5.413 0.000) 7.214 13.124 ( 4.769 5.413 0.000) 7.214 13.659 ( 1.027 -20.301 0.000) 20.327 13.659 ( 1.027 20.301 0.000) 20.327 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 4.693 -12.834 0.000) 13.666 1.628 ( 4.693 12.834 0.000) 13.666 1.833 ( 2.967 -8.270 0.000) 8.786 1.833 ( 2.967 8.270 0.000) 8.786 1.997 ( 1.628 -10.279 0.000) 10.407 1.997 ( 1.628 10.279 0.000) 10.407 2.357 ( -6.343 -8.190 0.000) 10.359 2.357 ( -6.343 8.190 0.000) 10.359 2.675 ( -4.238 -2.194 0.000) 4.772 2.675 ( -4.238 2.194 0.000) 4.772 2.827 ( -4.977 -7.500 0.000) 9.001 2.827 ( -4.977 7.500 0.000) 9.001 3.160 ( 2.963 -9.992 0.000) 10.423 3.160 ( 2.963 9.992 0.000) 10.423 3.169 ( 16.508 -1.839 0.000) 16.610 3.169 ( 16.508 1.839 0.000) 16.610 3.624 ( -2.840 -13.424 0.000) 13.721 3.624 ( -2.840 13.424 0.000) 13.721 3.923 ( 2.228 -8.808 0.000) 9.085 3.923 ( 2.228 8.808 0.000) 9.085 3.959 ( 4.886 -18.247 0.000) 18.889 3.959 ( 4.886 18.247 0.000) 18.889 4.658 ( 1.330 -6.003 0.000) 6.148 4.658 ( 1.330 6.003 0.000) 6.148 4.731 ( 12.837 -3.585 0.000) 13.328 4.731 ( 12.837 3.585 0.000) 13.328 4.919 ( 6.514 -16.266 0.000) 17.521 4.919 ( 6.514 16.266 0.000) 17.521 5.320 ( 1.475 -6.098 0.000) 6.274 5.320 ( 1.475 6.098 0.000) 6.274 5.683 ( 0.214 -13.658 0.000) 13.660 5.683 ( 0.214 13.658 0.000) 13.660 5.932 ( -0.825 -11.134 0.000) 11.164 5.932 ( -0.825 11.134 0.000) 11.164 6.015 ( -2.581 -11.953 0.000) 12.229 6.015 ( -2.581 11.953 0.000) 12.229 6.423 ( 14.910 -4.501 0.000) 15.574 6.423 ( 14.910 4.501 0.000) 15.574 6.684 ( -3.410 -11.349 0.000) 11.851 6.684 ( -3.410 11.349 0.000) 11.851 6.944 ( 6.851 -36.895 0.000) 37.525 6.944 ( 6.851 36.895 0.000) 37.525 7.996 ( -11.122 -29.978 0.000) 31.975 7.996 ( -11.122 29.978 0.000) 31.975 8.630 ( -12.611 -9.600 0.000) 15.849 8.630 ( -12.611 9.600 0.000) 15.849 8.641 ( -19.253 -18.606 0.000) 26.774 8.641 ( -19.253 18.606 0.000) 26.774 10.482 ( 10.509 -0.928 0.000) 10.550 10.482 ( 10.509 0.928 0.000) 10.550 10.829 ( 1.739 -9.817 0.000) 9.970 10.829 ( 1.739 9.817 0.000) 9.970 10.961 ( -2.592 -3.368 0.000) 4.250 10.961 ( -2.592 3.368 0.000) 4.250 11.055 ( -3.476 -0.430 0.000) 3.503 11.055 ( -3.476 0.430 0.000) 3.503 13.253 ( 7.570 -3.622 0.000) 8.392 13.253 ( 7.570 3.622 0.000) 8.392 13.670 ( -0.255 -15.765 0.000) 15.767 13.670 ( -0.255 15.765 0.000) 15.767 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 1.717 -10.668 0.000) 10.806 1.687 ( 1.717 10.668 0.000) 10.806 1.863 ( -5.001 -4.635 0.000) 6.819 1.863 ( -5.001 4.635 0.000) 6.819 1.957 ( 2.326 -6.562 0.000) 6.962 1.957 ( 2.326 6.562 0.000) 6.962 2.201 ( -7.848 -2.880 0.000) 8.360 2.201 ( -7.848 2.880 0.000) 8.360 2.657 ( 1.239 -6.268 0.000) 6.390 2.657 ( 1.239 6.268 0.000) 6.390 2.748 ( -2.953 -7.948 0.000) 8.479 2.748 ( -2.953 7.948 0.000) 8.479 3.264 ( 5.839 -11.313 0.000) 12.731 3.264 ( 5.839 11.313 0.000) 12.731 3.398 ( 2.400 -2.410 0.000) 3.402 3.398 ( 2.400 2.410 0.000) 3.402 3.664 ( 8.127 -7.315 0.000) 10.934 3.664 ( 8.127 7.315 0.000) 10.934 3.917 ( -2.577 -6.141 0.000) 6.660 3.917 ( -2.577 6.141 0.000) 6.660 4.168 ( 14.959 -22.214 0.000) 26.781 4.168 ( 14.959 22.214 0.000) 26.781 4.629 ( -4.385 -6.342 0.000) 7.710 4.629 ( -4.385 6.342 0.000) 7.710 4.981 ( 12.142 -3.453 0.000) 12.623 4.981 ( 12.142 3.453 0.000) 12.623 5.079 ( 8.009 -13.211 0.000) 15.449 5.079 ( 8.009 13.211 0.000) 15.449 5.349 ( 1.344 -7.944 0.000) 8.057 5.349 ( 1.344 7.944 0.000) 8.057 5.630 ( -6.279 -10.621 0.000) 12.339 5.630 ( -6.279 10.621 0.000) 12.339 5.866 ( -4.454 -10.267 0.000) 11.191 5.866 ( -4.454 10.267 0.000) 11.191 5.879 ( -9.119 -5.361 0.000) 10.578 5.879 ( -9.119 5.361 0.000) 10.578 6.755 ( 16.214 -8.499 0.000) 18.306 6.755 ( 16.214 8.499 0.000) 18.306 6.788 ( 14.142 -9.639 0.000) 17.115 6.788 ( 14.142 9.639 0.000) 17.115 7.061 ( 3.442 -35.362 0.000) 35.529 7.061 ( 3.442 35.362 0.000) 35.529 7.669 ( -21.235 -14.026 0.000) 25.449 7.669 ( -21.235 14.026 0.000) 25.449 8.327 ( -10.527 -22.860 0.000) 25.167 8.327 ( -10.527 22.860 0.000) 25.167 8.376 ( -11.337 -5.891 0.000) 12.776 8.376 ( -11.337 5.891 0.000) 12.776 10.680 ( 9.018 -0.827 0.000) 9.055 10.680 ( 9.018 0.827 0.000) 9.055 10.860 ( 1.339 -8.732 0.000) 8.834 10.860 ( 1.339 8.732 0.000) 8.834 10.918 ( -1.717 -5.567 0.000) 5.826 10.918 ( -1.717 5.567 0.000) 5.826 10.968 ( -5.153 -0.473 0.000) 5.175 10.968 ( -5.153 0.473 0.000) 5.175 13.411 ( 7.737 -0.534 0.000) 7.755 13.411 ( 7.737 0.534 0.000) 7.755 13.639 ( -2.976 -9.854 0.000) 10.293 13.639 ( -2.976 9.854 0.000) 10.293 ======================= Grid point 35 (20/100) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -4.508 -7.454 0.000) 8.711 1.739 ( 4.508 -7.454 0.000) 8.711 1.739 ( -4.508 7.454 0.000) 8.711 1.739 ( 4.508 7.454 0.000) 8.711 2.062 ( -6.186 -3.438 0.000) 7.077 2.062 ( 6.186 -3.438 0.000) 7.077 2.062 ( -6.186 3.438 0.000) 7.077 2.062 ( 6.186 3.438 0.000) 7.077 2.696 ( -2.351 -8.186 0.000) 8.517 2.696 ( 2.351 -8.186 0.000) 8.517 2.696 ( -2.351 8.186 0.000) 8.517 2.696 ( 2.351 8.186 0.000) 8.517 3.364 ( -3.834 -10.463 0.000) 11.143 3.364 ( 3.834 -10.463 0.000) 11.143 3.364 ( -3.834 10.463 0.000) 11.143 3.364 ( 3.834 10.463 0.000) 11.143 3.825 ( -6.491 -4.647 0.000) 7.983 3.825 ( 6.491 -4.647 0.000) 7.983 3.825 ( -6.491 4.647 0.000) 7.983 3.825 ( 6.491 4.647 0.000) 7.983 4.465 ( -12.245 -13.071 0.000) 17.911 4.465 ( 12.245 -13.071 0.000) 17.911 4.465 ( -12.245 13.071 0.000) 17.911 4.465 ( 12.245 13.071 0.000) 17.911 5.166 ( -2.284 -4.353 0.000) 4.916 5.166 ( 2.284 -4.353 0.000) 4.916 5.166 ( -2.284 4.353 0.000) 4.916 5.166 ( 2.284 4.353 0.000) 4.916 5.425 ( -9.405 -8.092 0.000) 12.407 5.425 ( 9.405 -8.092 0.000) 12.407 5.425 ( -9.405 8.092 0.000) 12.407 5.425 ( 9.405 8.092 0.000) 12.407 5.798 ( -1.092 -6.001 0.000) 6.099 5.798 ( 1.092 -6.001 0.000) 6.099 5.798 ( -1.092 6.001 0.000) 6.099 5.798 ( 1.092 6.001 0.000) 6.099 7.006 ( -6.577 -25.860 0.000) 26.683 7.006 ( 6.577 -25.860 0.000) 26.683 7.006 ( -6.577 25.860 0.000) 26.683 7.006 ( 6.577 25.860 0.000) 26.683 7.205 ( -22.220 -5.737 0.000) 22.949 7.205 ( -22.220 5.737 0.000) 22.949 7.205 ( 22.220 -5.737 0.000) 22.949 7.205 ( 22.220 5.737 0.000) 22.949 8.235 ( -1.533 -10.867 0.000) 10.975 8.235 ( 1.533 -10.867 0.000) 10.975 8.235 ( -1.533 10.867 0.000) 10.975 8.235 ( 1.533 10.867 0.000) 10.975 10.840 ( -6.646 -1.263 0.000) 6.765 10.840 ( -6.646 1.263 0.000) 6.765 10.840 ( 6.646 -1.263 0.000) 6.765 10.840 ( 6.646 1.263 0.000) 6.765 10.891 ( -0.809 -6.810 0.000) 6.858 10.891 ( 0.809 -6.810 0.000) 6.858 10.891 ( -0.809 6.810 0.000) 6.858 10.891 ( 0.809 6.810 0.000) 6.858 13.550 ( -5.845 -4.169 0.000) 7.180 13.550 ( 5.845 -4.169 0.000) 7.180 13.550 ( -5.845 4.169 0.000) 7.180 13.550 ( 5.845 4.169 0.000) 7.180 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 0.000 0.000 26.297) 26.297 0.676 ( 0.000 0.000 31.426) 31.426 1.073 ( 0.000 0.000 49.377) 49.377 1.847 ( 0.000 0.000 8.898) 8.898 2.033 ( 0.000 0.000 13.184) 13.184 2.106 ( 0.000 0.000 4.382) 4.382 2.351 ( 0.000 0.000 -4.498) 4.498 2.571 ( 0.000 0.000 -4.618) 4.618 2.662 ( 0.000 0.000 -6.172) 6.172 2.779 ( 0.000 0.000 -2.616) 2.616 2.851 ( 0.000 0.000 1.497) 1.497 2.877 ( 0.000 0.000 -8.733) 8.733 2.895 ( 0.000 0.000 -2.103) 2.103 2.952 ( 0.000 0.000 -5.567) 5.567 3.116 ( 0.000 0.000 -9.028) 9.028 3.514 ( 0.000 0.000 -11.185) 11.185 3.591 ( 0.000 0.000 6.743) 6.743 3.612 ( 0.000 0.000 -7.211) 7.211 3.756 ( 0.000 0.000 -4.369) 4.369 3.838 ( 0.000 0.000 0.901) 0.901 3.908 ( 0.000 0.000 -13.210) 13.210 3.932 ( 0.000 0.000 1.819) 1.819 4.013 ( 0.000 0.000 -8.050) 8.050 4.213 ( 0.000 0.000 18.217) 18.217 4.423 ( 0.000 0.000 6.794) 6.794 4.597 ( 0.000 0.000 -4.990) 4.990 4.772 ( 0.000 0.000 -1.311) 1.311 4.776 ( 0.000 0.000 14.202) 14.202 5.254 ( 0.000 0.000 15.081) 15.081 5.343 ( 0.000 0.000 0.559) 0.559 5.344 ( 0.000 0.000 1.818) 1.818 5.557 ( 0.000 0.000 5.283) 5.283 5.672 ( 0.000 0.000 7.092) 7.092 5.690 ( 0.000 0.000 2.247) 2.247 5.702 ( 0.000 0.000 -3.393) 3.393 5.741 ( 0.000 0.000 10.437) 10.437 5.960 ( 0.000 0.000 5.247) 5.247 6.369 ( 0.000 0.000 -2.676) 2.676 6.495 ( 0.000 0.000 -2.996) 2.996 6.657 ( 0.000 0.000 2.187) 2.187 7.143 ( 0.000 0.000 -11.957) 11.957 7.384 ( 0.000 0.000 9.925) 9.925 8.394 ( 0.000 0.000 -18.316) 18.316 8.514 ( 0.000 0.000 -11.611) 11.611 8.830 ( 0.000 0.000 -3.224) 3.224 9.159 ( 0.000 0.000 -10.609) 10.609 9.282 ( 0.000 0.000 -2.844) 2.844 10.242 ( 0.000 0.000 8.413) 8.413 10.257 ( 0.000 0.000 3.613) 3.613 10.291 ( 0.000 0.000 9.352) 9.352 10.546 ( 0.000 0.000 -8.866) 8.866 10.975 ( 0.000 0.000 -1.238) 1.238 10.997 ( 0.000 0.000 -9.113) 9.113 11.049 ( 0.000 0.000 -1.526) 1.526 11.196 ( 0.000 0.000 0.204) 0.204 11.270 ( 0.000 0.000 -0.362) 0.362 12.448 ( 0.000 0.000 14.013) 14.013 12.827 ( 0.000 0.000 6.342) 6.342 13.238 ( 0.000 0.000 2.395) 2.395 14.132 ( 0.000 0.000 -4.295) 4.295 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 16.910 0.000 17.095) 24.046 0.777 ( 19.463 0.000 16.686) 25.636 1.554 ( 32.188 0.000 29.714) 43.806 1.911 ( 7.614 0.000 10.633) 13.078 2.065 ( 4.696 0.000 8.423) 9.643 2.247 ( 7.076 0.000 -1.654) 7.267 2.362 ( -13.163 0.000 -1.343) 13.232 2.432 ( 10.452 0.000 4.458) 11.363 2.580 ( -8.285 0.000 -7.685) 11.301 2.720 ( 2.012 0.000 -5.373) 5.738 2.744 ( -9.713 0.000 -5.310) 11.069 2.840 ( -3.278 0.000 -10.322) 10.830 2.896 ( -13.956 0.000 -3.907) 14.493 3.070 ( 4.274 0.000 4.132) 5.944 3.131 ( 13.802 0.000 3.334) 14.199 3.201 ( -10.266 0.000 -1.291) 10.347 3.653 ( -4.828 0.000 -5.899) 7.623 3.725 ( 9.822 0.000 -4.146) 10.661 3.736 ( -7.789 0.000 -5.319) 9.432 3.805 ( -4.749 0.000 0.305) 4.759 3.834 ( -0.176 0.000 -6.202) 6.204 3.995 ( -1.075 0.000 -9.320) 9.382 4.181 ( 0.909 0.000 9.362) 9.406 4.297 ( 9.073 0.000 -5.102) 10.409 4.408 ( 6.107 0.000 -0.948) 6.180 4.721 ( 8.531 0.000 -2.140) 8.796 4.761 ( 0.450 0.000 8.030) 8.043 4.864 ( 6.985 0.000 2.231) 7.333 5.249 ( 0.470 0.000 7.409) 7.424 5.349 ( 1.109 0.000 -1.829) 2.139 5.451 ( 5.580 0.000 12.732) 13.901 5.515 ( -4.216 0.000 3.143) 5.259 5.582 ( -0.551 0.000 0.145) 0.570 5.691 ( 0.088 0.000 4.731) 4.732 5.723 ( 0.941 0.000 -3.221) 3.355 5.872 ( 12.792 0.000 16.463) 20.848 6.096 ( 7.932 0.000 0.428) 7.943 6.347 ( -0.594 0.000 -6.192) 6.221 6.481 ( -0.440 0.000 0.279) 0.521 6.684 ( 0.388 0.000 3.514) 3.535 6.982 ( -10.482 0.000 -6.471) 12.318 7.513 ( 10.288 0.000 11.990) 15.799 7.931 ( -29.261 0.000 -29.032) 41.219 8.504 ( -24.481 0.000 -19.534) 31.319 8.728 ( 4.698 0.000 5.226) 7.028 8.969 ( -3.876 0.000 2.127) 4.421 9.547 ( 9.452 0.000 11.034) 14.529 10.201 ( 0.640 0.000 0.609) 0.884 10.323 ( 2.542 0.000 4.787) 5.420 10.376 ( 7.198 0.000 6.984) 10.030 10.486 ( -4.835 0.000 -7.851) 9.220 10.843 ( -7.949 0.000 -5.952) 9.930 11.059 ( 1.529 0.000 -2.329) 2.786 11.117 ( 2.213 0.000 -1.293) 2.563 11.198 ( 0.184 0.000 0.198) 0.270 11.262 ( -0.772 0.000 0.349) 0.848 12.554 ( 9.704 0.000 10.190) 14.071 12.856 ( 3.104 0.000 2.491) 3.980 13.247 ( 0.861 0.000 0.819) 1.188 14.064 ( -5.778 0.000 -6.539) 8.726 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 22.765 0.000 -0.719) 22.777 1.218 ( 23.040 0.000 7.093) 24.107 1.931 ( 5.201 0.000 2.501) 5.771 2.103 ( 1.003 0.000 2.254) 2.467 2.150 ( 1.457 0.000 2.910) 3.254 2.301 ( -1.208 0.000 3.729) 3.920 2.332 ( 11.936 0.000 17.528) 21.206 2.459 ( -4.188 0.000 -12.801) 13.469 2.500 ( -8.956 0.000 -8.016) 12.019 2.684 ( -4.614 0.000 1.904) 4.992 2.700 ( -6.521 0.000 -8.584) 10.780 2.778 ( 5.456 0.000 -2.286) 5.915 2.797 ( 18.244 0.000 5.022) 18.922 3.083 ( 0.122 0.000 1.302) 1.308 3.110 ( -1.490 0.000 8.639) 8.766 3.386 ( 8.945 0.000 3.060) 9.454 3.422 ( -14.484 0.000 11.643) 18.584 3.650 ( -7.863 0.000 -0.752) 7.898 3.654 ( 0.711 0.000 -11.082) 11.105 3.803 ( -1.654 0.000 -6.268) 6.482 3.971 ( 13.844 0.000 -10.377) 17.302 3.993 ( -0.095 0.000 -8.749) 8.749 4.274 ( 6.886 0.000 -0.143) 6.888 4.330 ( 0.469 0.000 2.045) 2.098 4.588 ( 6.944 0.000 -12.381) 14.195 4.809 ( 4.726 0.000 3.912) 6.135 4.857 ( 4.628 0.000 -7.175) 8.538 4.987 ( 3.375 0.000 5.056) 6.079 5.279 ( 2.639 0.000 7.181) 7.650 5.395 ( 0.813 0.000 -10.401) 10.432 5.424 ( -1.753 0.000 7.934) 8.125 5.472 ( -0.013 0.000 7.449) 7.449 5.634 ( 2.648 0.000 -0.830) 2.775 5.721 ( -1.174 0.000 -3.510) 3.701 5.786 ( 6.407 0.000 -4.351) 7.745 6.097 ( 4.178 0.000 4.461) 6.112 6.199 ( 2.589 0.000 8.408) 8.798 6.337 ( -3.967 0.000 -7.600) 8.573 6.608 ( 17.400 0.000 22.216) 28.219 6.614 ( -4.899 0.000 -4.363) 6.560 6.835 ( -2.459 0.000 1.286) 2.775 7.309 ( -31.365 0.000 -36.591) 48.195 7.799 ( 16.643 0.000 22.771) 28.205 7.988 ( -23.735 0.000 -37.177) 44.108 8.646 ( -12.199 0.000 23.645) 26.607 9.016 ( 7.082 0.000 6.151) 9.380 9.570 ( -6.682 0.000 27.588) 28.385 10.216 ( -12.644 0.000 -5.517) 13.795 10.267 ( 4.977 0.000 -4.257) 6.549 10.532 ( 8.143 0.000 5.737) 9.962 10.538 ( 8.956 0.000 -0.271) 8.960 10.688 ( -7.003 0.000 -5.256) 8.756 11.053 ( -2.016 0.000 0.835) 2.182 11.106 ( -2.682 0.000 2.277) 3.518 11.203 ( 0.303 0.000 0.206) 0.366 11.243 ( -0.909 0.000 0.785) 1.201 12.791 ( 12.658 0.000 3.240) 13.066 12.963 ( 7.718 0.000 -5.758) 9.629 13.265 ( 0.604 0.000 -2.613) 2.682 13.911 ( -9.393 0.000 -10.082) 13.780 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 15.896 0.000 -3.827) 16.350 1.670 ( 21.201 0.000 0.061) 21.201 1.984 ( 4.566 0.000 -7.615) 8.879 2.101 ( -5.958 0.000 -6.912) 9.125 2.117 ( -2.320 0.000 3.280) 4.018 2.229 ( -5.071 0.000 3.250) 6.023 2.320 ( -9.460 0.000 -6.590) 11.529 2.377 ( -4.968 0.000 1.068) 5.082 2.398 ( 0.766 0.000 0.141) 0.779 2.601 ( 1.696 0.000 1.417) 2.210 2.708 ( 4.932 0.000 6.963) 8.533 2.778 ( -7.475 0.000 5.421) 9.234 2.994 ( -8.019 0.000 12.859) 15.155 3.080 ( -14.383 0.000 14.330) 20.303 3.157 ( 15.000 0.000 1.339) 15.059 3.442 ( 22.197 0.000 0.589) 22.205 3.525 ( -5.169 0.000 -2.293) 5.654 3.536 ( 6.089 0.000 -3.667) 7.108 3.706 ( 2.173 0.000 -12.760) 12.943 3.839 ( 7.520 0.000 -1.917) 7.760 3.966 ( -2.461 0.000 -5.493) 6.019 4.252 ( 12.583 0.000 -7.371) 14.583 4.305 ( -4.135 0.000 1.838) 4.525 4.416 ( 5.863 0.000 -5.164) 7.813 4.716 ( 6.660 0.000 -9.168) 11.332 4.935 ( 4.971 0.000 -14.453) 15.284 4.941 ( 4.225 0.000 5.887) 7.246 4.996 ( 2.773 0.000 -2.536) 3.758 5.302 ( -6.633 0.000 -5.398) 8.552 5.356 ( 4.609 0.000 7.981) 9.216 5.473 ( -0.609 0.000 6.237) 6.267 5.508 ( 5.491 0.000 -2.267) 5.941 5.651 ( -6.925 0.000 -3.272) 7.659 5.683 ( -2.467 0.000 -3.349) 4.160 5.811 ( -1.257 0.000 -13.434) 13.492 6.053 ( -12.853 0.000 -1.714) 12.967 6.099 ( 0.615 0.000 -9.117) 9.138 6.345 ( 8.226 0.000 7.460) 11.105 6.613 ( -0.024 0.000 4.886) 4.886 6.688 ( -26.628 0.000 -33.620) 42.887 6.861 ( 6.046 0.000 -10.696) 12.287 7.140 ( 29.074 0.000 33.501) 44.358 7.481 ( -22.260 0.000 -35.482) 41.886 8.267 ( 25.144 0.000 28.292) 37.851 8.279 ( -23.279 0.000 33.839) 41.073 9.153 ( -2.565 0.000 21.640) 21.791 9.376 ( -3.235 0.000 16.277) 16.595 9.915 ( -16.298 0.000 -4.810) 16.993 10.370 ( 4.887 0.000 -4.392) 6.571 10.558 ( -5.224 0.000 -3.986) 6.571 10.706 ( 8.217 0.000 3.890) 9.091 10.730 ( 9.247 0.000 1.454) 9.361 10.983 ( -4.875 0.000 2.624) 5.537 11.025 ( -5.249 0.000 3.148) 6.121 11.210 ( 0.365 0.000 0.235) 0.434 11.228 ( -0.615 0.000 0.500) 0.792 13.027 ( 10.204 0.000 -2.357) 10.473 13.164 ( 11.972 0.000 -12.077) 17.005 13.258 ( -1.605 0.000 -5.272) 5.511 13.690 ( -12.353 0.000 -12.741) 17.746 ======================= Grid point 67 (25/100) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -12.723 0.000 -5.641) 13.918 1.875 ( 12.723 0.000 -5.641) 13.918 2.036 ( -13.305 0.000 -6.133) 14.651 2.036 ( 13.305 0.000 -6.133) 14.651 2.155 ( -3.244 0.000 4.839) 5.826 2.155 ( 3.244 0.000 4.839) 5.826 2.166 ( -11.512 0.000 -10.509) 15.587 2.166 ( 11.512 0.000 -10.509) 15.587 2.547 ( -9.818 0.000 6.880) 11.989 2.547 ( 9.818 0.000 6.880) 11.989 2.808 ( -11.700 0.000 11.872) 16.668 2.808 ( 11.700 0.000 11.872) 16.668 2.831 ( -7.204 0.000 11.816) 13.839 2.831 ( 7.204 0.000 11.816) 13.839 3.396 ( -8.638 0.000 -1.212) 8.723 3.396 ( 8.638 0.000 -1.212) 8.723 3.606 ( -2.601 0.000 -9.171) 9.533 3.606 ( 2.601 0.000 -9.171) 9.533 3.850 ( -7.449 0.000 -5.033) 8.990 3.850 ( 7.449 0.000 -5.033) 8.990 4.123 ( -14.176 0.000 1.995) 14.316 4.123 ( 14.176 0.000 1.995) 14.316 4.432 ( -4.757 0.000 -4.690) 6.680 4.432 ( 4.757 0.000 -4.690) 6.680 4.856 ( -6.712 0.000 -2.209) 7.066 4.856 ( 6.712 0.000 -2.209) 7.066 5.113 ( -11.389 0.000 -13.467) 17.637 5.113 ( 11.389 0.000 -13.467) 17.637 5.282 ( -20.000 0.000 -3.874) 20.372 5.282 ( 20.000 0.000 -3.874) 20.372 5.443 ( -3.538 0.000 8.814) 9.498 5.443 ( 3.538 0.000 8.814) 9.498 5.614 ( -4.571 0.000 -2.572) 5.245 5.614 ( 4.571 0.000 -2.572) 5.245 5.882 ( -5.999 0.000 -10.683) 12.252 5.882 ( 5.999 0.000 -10.683) 12.252 6.247 ( -15.273 0.000 -24.260) 28.667 6.247 ( 15.273 0.000 -24.260) 28.667 6.524 ( -7.922 0.000 10.990) 13.547 6.524 ( 7.922 0.000 10.990) 13.547 7.092 ( -16.010 0.000 -27.485) 31.808 7.092 ( 16.010 0.000 -27.485) 31.808 7.743 ( -29.274 0.000 37.393) 47.489 7.743 ( 29.274 0.000 37.393) 47.489 8.785 ( -24.939 0.000 35.478) 43.366 8.785 ( 24.939 0.000 35.478) 43.366 9.587 ( -15.667 0.000 -2.170) 15.816 9.587 ( 15.667 0.000 -2.170) 15.816 10.462 ( -4.470 0.000 -3.862) 5.907 10.462 ( 4.470 0.000 -3.862) 5.907 10.862 ( -7.031 0.000 3.326) 7.778 10.862 ( 7.031 0.000 3.326) 7.778 10.898 ( -7.366 0.000 2.673) 7.836 10.898 ( 7.366 0.000 2.673) 7.836 11.218 ( -0.440 0.000 0.304) 0.535 11.218 ( 0.440 0.000 0.304) 0.535 13.187 ( -5.670 0.000 -5.326) 7.779 13.187 ( 5.670 0.000 -5.326) 7.779 13.426 ( -13.541 0.000 -13.948) 19.440 13.426 ( 13.541 0.000 -13.948) 19.440 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 0.000 16.962 23.172) 28.717 0.872 ( 0.000 20.046 19.203) 27.759 1.491 ( 0.000 38.722 31.773) 50.089 1.800 ( 0.000 -2.420 7.081) 7.483 1.989 ( 0.000 -4.433 11.770) 12.577 2.219 ( 0.000 -0.040 -4.442) 4.442 2.241 ( 0.000 -9.661 -1.887) 9.844 2.595 ( 0.000 -4.170 -4.639) 6.238 2.613 ( 0.000 -9.903 3.271) 10.430 2.649 ( 0.000 3.616 -8.295) 9.049 2.814 ( 0.000 -1.310 0.977) 1.635 2.826 ( 0.000 -0.901 -11.711) 11.745 2.982 ( 0.000 5.173 -1.088) 5.286 3.129 ( 0.000 6.573 -16.147) 17.434 3.186 ( 0.000 10.836 3.837) 11.496 3.334 ( 0.000 -7.349 8.120) 10.952 3.567 ( 0.000 -3.982 -7.429) 8.429 3.716 ( 0.000 1.155 -19.281) 19.315 3.760 ( 0.000 0.198 -6.671) 6.674 3.834 ( 0.000 -6.354 5.619) 8.482 3.857 ( 0.000 -3.051 -12.339) 12.710 4.043 ( 0.000 1.823 -6.022) 6.292 4.145 ( 0.000 21.696 3.570) 21.988 4.262 ( 0.000 -9.469 -2.384) 9.765 4.415 ( 0.000 21.995 10.898) 24.547 4.624 ( 0.000 2.696 5.068) 5.740 4.741 ( 0.000 -2.954 15.227) 15.511 4.859 ( 0.000 7.196 0.715) 7.232 5.220 ( 0.000 -2.120 13.911) 14.072 5.247 ( 0.000 -8.482 5.678) 10.207 5.434 ( 0.000 7.059 0.877) 7.114 5.529 ( 0.000 -2.074 1.070) 2.334 5.619 ( 0.000 -1.919 2.089) 2.837 5.640 ( 0.000 1.222 4.317) 4.487 5.863 ( 0.000 8.309 11.623) 14.288 6.034 ( 0.000 17.548 -7.882) 19.236 6.054 ( 0.000 8.900 7.887) 11.891 6.317 ( 0.000 -5.031 -2.383) 5.567 6.474 ( 0.000 -0.435 -5.946) 5.962 6.676 ( 0.000 -1.386 6.235) 6.387 7.103 ( 0.000 -4.093 -11.618) 12.318 7.238 ( 0.000 -4.334 11.821) 12.590 8.441 ( 0.000 4.768 -18.264) 18.876 8.514 ( 0.000 -24.095 9.454) 25.884 8.676 ( 0.000 6.110 -13.107) 14.461 9.043 ( 0.000 -8.024 -15.772) 17.696 9.215 ( 0.000 -7.447 -2.672) 7.912 10.138 ( 0.000 -35.001 -7.927) 35.887 10.245 ( 0.000 0.292 8.461) 8.466 10.284 ( 0.000 -0.258 8.867) 8.871 10.375 ( 0.000 9.892 3.516) 10.498 10.989 ( 0.000 1.048 -2.349) 2.573 11.024 ( 0.000 0.644 -4.648) 4.693 11.059 ( 0.000 0.930 -2.932) 3.076 11.141 ( 0.000 -5.434 0.399) 5.449 11.190 ( 0.000 -4.615 1.624) 4.893 12.720 ( 0.000 23.786 9.424) 25.585 12.878 ( 0.000 4.989 5.984) 7.791 13.232 ( 0.000 -0.776 2.650) 2.762 14.130 ( 0.000 -3.467 -5.827) 6.780 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.12 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 13.675 16.087 14.114) 25.397 1.095 ( 13.956 20.989 11.348) 27.642 1.776 ( 19.954 22.267 17.325) 34.556 1.879 ( 9.797 -2.179 11.383) 15.176 2.028 ( 3.870 -4.223 8.842) 10.535 2.240 ( 1.429 -5.268 -0.463) 5.478 2.330 ( 4.294 -6.695 -3.522) 8.699 2.405 ( -5.976 1.811 3.413) 7.117 2.626 ( -1.012 1.824 -1.663) 2.668 2.664 ( -3.331 2.085 -11.147) 11.819 2.760 ( -4.570 -5.149 -7.366) 10.083 2.828 ( -3.645 -2.329 2.044) 4.784 2.909 ( 3.827 -1.168 1.551) 4.291 2.983 ( -9.114 8.477 -9.112) 15.426 3.196 ( -11.286 0.071 -2.490) 11.557 3.364 ( 10.204 11.801 4.145) 16.141 3.516 ( -5.367 -10.994 2.812) 12.553 3.585 ( -7.775 -8.335 -5.248) 12.548 3.733 ( 1.003 -2.570 -10.848) 11.194 3.799 ( 3.804 -2.293 -8.107) 9.244 4.022 ( 0.875 5.448 -6.629) 8.625 4.132 ( -3.654 16.718 -2.425) 17.283 4.219 ( 1.655 3.542 3.343) 5.144 4.306 ( 13.815 2.058 -4.508) 14.677 4.438 ( 4.025 9.636 2.800) 10.812 4.670 ( 5.170 -1.637 1.607) 5.656 4.733 ( 1.353 -2.349 8.990) 9.390 4.949 ( 5.449 6.630 3.443) 9.247 5.165 ( 0.663 -4.989 5.671) 7.582 5.380 ( 5.582 -2.040 10.486) 12.053 5.491 ( 3.570 5.856 3.063) 7.512 5.550 ( 1.781 -2.105 -0.471) 2.797 5.573 ( 1.109 1.786 1.178) 2.410 5.704 ( 1.080 2.299 3.109) 4.015 5.872 ( 2.021 6.333 7.067) 9.703 5.957 ( -1.810 14.073 -1.680) 14.288 6.182 ( 7.509 7.205 9.020) 13.771 6.321 ( 0.852 -1.978 -5.568) 5.970 6.479 ( 0.344 -0.814 -2.097) 2.276 6.686 ( 0.809 -0.085 8.040) 8.081 6.939 ( -10.732 -2.940 -8.633) 14.084 7.382 ( 8.586 -7.094 7.580) 13.472 8.064 ( -24.766 9.597 -25.693) 36.954 8.398 ( -15.453 -13.884 -8.242) 22.350 8.719 ( -10.912 -17.057 -5.929) 21.099 8.824 ( 4.179 5.579 2.842) 7.528 9.469 ( 9.103 -8.228 10.708) 16.286 10.058 ( -7.271 -32.295 -5.024) 33.483 10.255 ( 2.229 3.220 1.953) 4.376 10.349 ( 6.196 -1.567 3.761) 7.415 10.439 ( 5.347 6.958 5.470) 10.341 10.901 ( -6.216 2.857 -4.986) 8.465 11.052 ( 1.225 -1.150 -2.436) 2.959 11.112 ( 2.164 -0.454 -1.089) 2.465 11.142 ( 0.182 -5.554 0.393) 5.571 11.181 ( -0.727 -5.000 1.921) 5.405 12.793 ( 6.768 21.323 6.938) 23.423 12.907 ( 3.032 4.934 2.397) 6.268 13.244 ( 1.114 -0.545 0.979) 1.580 14.062 ( -5.935 -2.277 -6.716) 9.247 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.25 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 16.370 9.022 2.690) 18.884 1.416 ( 17.077 12.830 5.997) 22.186 1.959 ( 3.643 2.029 1.452) 4.416 2.065 ( 2.850 -3.171 1.841) 4.644 2.123 ( 0.372 -3.324 1.921) 3.857 2.239 ( 1.027 -6.034 3.149) 6.883 2.388 ( -0.769 -4.171 -3.143) 5.279 2.410 ( -1.759 0.327 -1.026) 2.062 2.508 ( -7.660 8.770 -4.826) 12.605 2.663 ( 1.291 -3.149 -0.126) 3.406 2.718 ( -2.408 0.009 4.136) 4.786 2.822 ( 13.885 2.697 1.464) 14.220 2.912 ( -3.777 10.260 -9.647) 14.581 3.032 ( 10.868 3.165 7.404) 13.525 3.065 ( 1.437 -5.308 1.183) 5.625 3.303 ( -12.317 -9.685 10.492) 18.857 3.449 ( -0.586 -6.858 -7.094) 9.884 3.566 ( 4.896 8.201 3.214) 10.078 3.737 ( -0.128 -3.983 -8.080) 9.009 3.898 ( 2.803 -5.463 -6.182) 8.713 3.932 ( -9.130 15.394 -0.958) 17.923 4.145 ( 9.928 10.324 -10.992) 18.055 4.304 ( 4.101 7.618 0.006) 8.652 4.472 ( 5.795 10.611 2.790) 12.408 4.581 ( 7.722 1.058 -11.375) 13.789 4.783 ( 4.751 -2.960 3.543) 6.625 4.821 ( 6.695 -1.246 -1.668) 7.011 5.020 ( 2.128 0.471 1.946) 2.922 5.247 ( 5.736 0.969 4.607) 7.421 5.456 ( 0.644 1.464 0.386) 1.645 5.486 ( 1.228 1.834 4.148) 4.699 5.581 ( -4.169 9.926 4.007) 11.488 5.618 ( 3.496 0.203 -2.946) 4.576 5.738 ( 4.036 0.237 -5.316) 6.679 5.864 ( -3.292 12.894 -2.557) 13.551 6.020 ( 4.821 -5.136 6.604) 9.656 6.270 ( -0.203 4.688 -0.362) 4.707 6.318 ( -4.798 -1.074 -3.515) 6.044 6.561 ( 5.570 -3.852 12.185) 13.941 6.677 ( 0.162 3.567 0.398) 3.593 6.820 ( 5.974 0.848 8.604) 10.508 7.308 ( -22.673 -0.473 -28.298) 36.264 7.835 ( 7.654 3.875 13.867) 16.306 7.947 ( -21.777 -4.316 -35.834) 42.154 8.636 ( -6.119 -12.860 17.186) 22.320 8.826 ( 1.196 -6.461 11.120) 12.916 9.491 ( -6.570 -8.221 27.093) 29.065 9.860 ( -12.164 -30.806 -3.655) 33.322 10.342 ( 5.720 5.740 -4.290) 9.169 10.521 ( 10.036 -1.032 0.309) 10.094 10.566 ( 7.082 3.820 5.811) 9.925 10.769 ( -6.523 4.711 -5.381) 9.680 11.049 ( -1.674 -0.787 0.275) 1.870 11.102 ( -2.725 -0.549 2.256) 3.580 11.150 ( 0.375 -5.127 0.214) 5.145 11.171 ( -0.262 -5.864 1.029) 5.960 12.962 ( 9.193 15.788 1.654) 18.344 13.010 ( 7.366 4.554 -5.300) 10.153 13.270 ( 1.278 0.333 -2.673) 2.982 13.909 ( -9.175 -1.135 -9.377) 13.168 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.38 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 12.501 -0.237 -1.184) 12.559 1.709 ( 11.408 1.117 2.189) 11.669 1.987 ( -3.653 -3.620 -0.512) 5.168 2.087 ( 2.109 0.365 -2.524) 3.309 2.147 ( 4.377 -0.209 -2.333) 4.964 2.197 ( -10.753 -3.981 -9.732) 15.040 2.280 ( -5.642 -5.102 4.534) 8.855 2.356 ( 6.215 -0.422 4.292) 7.565 2.396 ( -4.485 5.901 -1.607) 7.583 2.610 ( -8.594 -7.815 2.687) 11.923 2.705 ( -1.091 4.593 1.505) 4.955 2.790 ( -1.474 3.504 -0.606) 3.849 3.019 ( -6.522 0.713 9.838) 11.825 3.128 ( -2.873 -0.471 6.839) 7.433 3.167 ( 14.506 2.720 0.877) 14.785 3.422 ( 9.890 0.419 -4.872) 11.033 3.544 ( 9.336 2.885 -0.547) 9.787 3.625 ( 7.577 5.546 -1.819) 9.565 3.691 ( -5.382 4.313 -1.064) 6.978 3.861 ( 5.584 0.679 -3.878) 6.833 3.903 ( -1.944 -3.040 -4.506) 5.773 4.323 ( -1.867 4.489 2.018) 5.264 4.431 ( 13.938 12.270 -10.609) 21.386 4.566 ( 3.751 9.241 -4.558) 10.966 4.745 ( 8.597 4.755 -6.021) 11.523 4.866 ( 4.098 -1.838 -2.611) 5.195 4.981 ( 9.177 0.067 -2.951) 9.640 5.047 ( 1.119 3.202 -2.050) 3.964 5.339 ( -0.328 2.437 -5.494) 6.019 5.368 ( -5.397 0.127 3.760) 6.579 5.502 ( -1.974 6.531 2.697) 7.337 5.549 ( 0.600 0.765 5.714) 5.797 5.682 ( -1.537 5.217 -7.296) 9.100 5.752 ( -0.608 -4.004 -10.917) 11.644 5.790 ( -2.889 10.943 -4.375) 12.134 5.962 ( -11.243 -5.539 -1.011) 12.574 6.181 ( -0.361 3.453 -8.246) 8.947 6.312 ( 6.291 -0.944 6.050) 8.779 6.578 ( -2.289 -3.518 11.005) 11.778 6.742 ( -12.180 1.291 -26.072) 28.806 6.808 ( -3.492 0.740 -21.572) 21.865 7.227 ( 24.997 6.795 29.223) 39.051 7.452 ( -20.034 -2.743 -32.162) 37.991 8.244 ( 23.642 -2.312 26.636) 35.690 8.329 ( -21.566 3.067 33.263) 39.761 8.969 ( 8.847 -20.012 7.642) 23.176 9.244 ( -15.485 -8.909 30.810) 35.615 9.586 ( -14.566 -29.693 -3.765) 33.287 10.454 ( 5.042 6.888 -4.840) 9.813 10.643 ( -4.951 6.013 -4.186) 8.842 10.716 ( 8.502 0.069 2.240) 8.792 10.728 ( 8.280 0.909 3.014) 8.859 10.984 ( -4.613 -0.022 2.254) 5.134 11.020 ( -5.255 -0.463 3.103) 6.120 11.157 ( 0.318 -5.169 0.175) 5.182 11.166 ( -0.196 -5.600 0.438) 5.620 13.134 ( 7.370 10.085 -3.170) 12.887 13.200 ( 11.232 3.413 -11.292) 16.288 13.283 ( -0.264 2.258 -5.578) 6.024 13.697 ( -11.735 0.208 -11.956) 16.754 ======================= Grid point 76 (30/100) ======================= q-point: (-0.50 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -10.238 -6.493 -1.808) 12.257 1.787 ( 10.238 -6.493 -1.808) 12.257 1.953 ( -11.359 -3.479 -6.274) 13.435 1.953 ( 11.359 -3.479 -6.274) 13.435 2.173 ( -5.068 0.266 5.106) 7.199 2.173 ( 5.068 0.266 5.106) 7.199 2.313 ( -6.494 1.654 -0.860) 6.757 2.313 ( 6.494 1.654 -0.860) 6.757 2.454 ( -5.277 0.288 -2.404) 5.806 2.454 ( 5.277 0.288 -2.404) 5.806 2.724 ( -5.469 -2.305 6.327) 8.675 2.724 ( 5.469 -2.305 6.327) 8.675 3.026 ( -5.876 6.847 8.431) 12.349 3.026 ( 5.876 6.847 8.431) 12.349 3.401 ( -7.904 3.277 -1.905) 8.766 3.401 ( 7.904 3.277 -1.905) 8.766 3.600 ( -3.599 1.537 -5.169) 6.484 3.600 ( 3.599 1.537 -5.169) 6.484 3.833 ( -5.204 -0.848 -5.179) 7.391 3.833 ( 5.204 -0.848 -5.179) 7.391 4.143 ( -15.685 3.099 2.964) 16.261 4.143 ( 15.685 3.099 2.964) 16.261 4.604 ( -2.018 10.345 -5.197) 11.752 4.604 ( 2.018 10.345 -5.197) 11.752 4.907 ( -5.400 7.116 -2.188) 9.197 4.907 ( 5.400 7.116 -2.188) 9.197 5.097 ( -11.543 -1.360 -10.868) 15.913 5.097 ( 11.543 -1.360 -10.868) 15.913 5.285 ( -16.225 -0.441 -3.759) 16.661 5.285 ( 16.225 -0.441 -3.759) 16.661 5.451 ( -4.104 2.152 5.794) 7.419 5.451 ( 4.104 2.152 5.794) 7.419 5.704 ( -4.693 8.155 -3.182) 9.932 5.704 ( 4.693 8.155 -3.182) 9.932 5.815 ( -4.335 -4.266 -8.826) 10.718 5.815 ( 4.335 -4.266 -8.826) 10.718 6.332 ( -13.969 5.675 -21.272) 26.073 6.332 ( 13.969 5.675 -21.272) 26.073 6.480 ( -6.303 -2.116 10.045) 12.046 6.480 ( 6.303 -2.116 10.045) 12.046 7.046 ( -16.339 -3.853 -27.961) 32.613 7.046 ( 16.339 -3.853 -27.961) 32.613 7.815 ( -28.004 6.049 36.474) 46.381 7.815 ( 28.004 6.049 36.474) 46.381 8.745 ( -24.143 -4.043 34.728) 42.488 8.745 ( 24.143 -4.043 34.728) 42.488 9.293 ( -13.887 -27.098 -1.290) 30.476 9.293 ( 13.887 -27.098 -1.290) 30.476 10.547 ( -4.488 6.782 -4.324) 9.211 10.547 ( 4.488 6.782 -4.324) 9.211 10.868 ( -6.772 0.471 3.106) 7.465 10.868 ( 6.772 0.471 3.106) 7.465 10.893 ( -7.352 -0.363 2.756) 7.860 10.893 ( 7.352 -0.363 2.756) 7.860 11.162 ( -0.234 -5.304 0.219) 5.313 11.162 ( 0.234 -5.304 0.219) 5.313 13.245 ( -3.615 5.458 -5.808) 8.752 13.245 ( 3.615 5.458 -5.808) 8.752 13.447 ( -12.761 1.846 -13.161) 18.425 13.447 ( 12.761 1.846 -13.161) 18.425 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 0.000 20.798 12.929) 24.489 1.251 ( 0.000 19.707 14.165) 24.270 1.747 ( 0.000 -1.690 7.313) 7.506 1.870 ( 0.000 -8.351 13.301) 15.705 2.019 ( 0.000 -12.005 -2.206) 12.206 2.036 ( 0.000 -11.020 -0.071) 11.020 2.247 ( 0.000 23.906 6.664) 24.818 2.433 ( 0.000 -6.869 -2.743) 7.396 2.561 ( 0.000 5.522 4.744) 7.280 2.729 ( 0.000 3.818 -0.981) 3.942 2.812 ( 0.000 0.652 -1.515) 1.649 2.838 ( 0.000 1.353 -7.299) 7.423 3.033 ( 0.000 -0.019 4.295) 4.296 3.226 ( 0.000 3.390 -11.255) 11.755 3.295 ( 0.000 3.455 2.696) 4.382 3.409 ( 0.000 5.370 -0.598) 5.403 3.496 ( 0.000 2.627 -6.212) 6.745 3.636 ( 0.000 -7.019 -17.440) 18.800 3.645 ( 0.000 -9.480 2.926) 9.922 3.825 ( 0.000 2.134 -6.435) 6.780 3.836 ( 0.000 -0.915 -16.000) 16.026 3.946 ( 0.000 -9.596 -4.235) 10.489 4.215 ( 0.000 2.275 -2.147) 3.128 4.357 ( 0.000 0.669 4.450) 4.500 4.674 ( 0.000 2.852 13.742) 14.035 4.704 ( 0.000 5.159 9.468) 10.783 4.957 ( 0.000 0.644 4.900) 4.942 4.998 ( 0.000 4.639 10.620) 11.589 5.202 ( 0.000 24.596 1.879) 24.668 5.214 ( 0.000 3.164 8.076) 8.674 5.472 ( 0.000 -3.662 2.367) 4.360 5.547 ( 0.000 3.870 -1.358) 4.101 5.633 ( 0.000 4.583 1.344) 4.777 5.721 ( 0.000 6.675 0.568) 6.699 6.024 ( 0.000 7.739 2.315) 8.078 6.181 ( 0.000 -4.613 1.073) 4.736 6.197 ( 0.000 -0.504 5.882) 5.903 6.308 ( 0.000 15.731 13.584) 20.785 6.458 ( 0.000 -8.307 4.842) 9.615 6.643 ( 0.000 6.400 -4.151) 7.628 6.991 ( 0.000 -7.381 -10.653) 12.960 7.349 ( 0.000 4.940 -3.983) 6.346 7.906 ( 0.000 -24.230 16.690) 29.422 8.562 ( 0.000 7.193 -18.341) 19.701 8.848 ( 0.000 3.702 -15.225) 15.669 8.914 ( 0.000 -0.340 -13.075) 13.080 8.922 ( 0.000 -26.908 -0.811) 26.920 9.467 ( 0.000 -27.997 -7.539) 28.995 10.253 ( 0.000 0.516 8.572) 8.587 10.275 ( 0.000 -0.550 8.883) 8.900 10.586 ( 0.000 11.391 2.526) 11.667 10.987 ( 0.000 -8.244 0.551) 8.262 11.006 ( 0.000 0.781 -2.645) 2.758 11.030 ( 0.000 -0.956 -2.099) 2.307 11.082 ( 0.000 0.778 -3.106) 3.202 11.129 ( 0.000 -2.042 -0.612) 2.132 12.997 ( 0.000 6.803 5.143) 8.528 13.199 ( 0.000 -2.843 3.317) 4.368 13.212 ( 0.000 25.443 4.216) 25.790 13.971 ( 0.000 -12.749 -2.723) 13.037 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.12 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 8.841 19.864 11.478) 24.586 1.440 ( 11.487 16.468 6.922) 21.239 1.823 ( 6.901 -2.281 6.583) 9.806 1.905 ( 2.653 -7.463 10.114) 12.847 2.007 ( 0.102 -9.879 0.181) 9.881 2.130 ( 7.076 -13.078 -1.166) 14.915 2.236 ( -1.309 8.850 -2.234) 9.221 2.515 ( 4.046 -6.622 -4.018) 8.738 2.577 ( 1.543 13.635 7.292) 15.539 2.729 ( -3.903 -0.621 2.021) 4.438 2.744 ( -1.316 4.789 -8.277) 9.653 2.824 ( 0.351 5.485 -0.836) 5.559 2.947 ( -2.293 1.438 2.538) 3.711 3.122 ( -9.668 1.719 -2.426) 10.115 3.223 ( -6.022 3.117 -1.744) 7.002 3.332 ( -4.703 -0.811 -4.787) 6.760 3.414 ( -11.170 -7.982 -1.641) 13.826 3.608 ( 6.404 5.329 -3.192) 8.922 3.663 ( 1.926 -0.854 -12.828) 13.000 3.791 ( 1.587 2.306 -4.970) 5.704 4.015 ( 4.595 -5.757 -1.939) 7.617 4.166 ( 16.287 -7.511 -7.164) 19.314 4.235 ( 2.070 3.171 -3.411) 5.097 4.396 ( 4.014 -0.425 3.694) 5.472 4.699 ( 2.055 3.900 10.624) 11.502 4.711 ( 2.320 4.763 6.033) 8.029 4.832 ( -5.239 8.889 5.916) 11.894 5.062 ( -2.397 0.933 -0.205) 2.580 5.169 ( 8.331 10.423 4.429) 14.060 5.354 ( 4.252 4.176 9.503) 11.217 5.482 ( -0.001 -2.105 2.981) 3.649 5.585 ( 2.400 1.652 -2.407) 3.779 5.708 ( 8.024 13.183 -0.331) 15.437 5.793 ( 5.042 7.447 -0.620) 9.014 5.961 ( -3.243 4.837 1.716) 6.071 6.149 ( -3.099 -0.390 0.523) 3.167 6.255 ( 3.997 0.574 4.007) 5.689 6.391 ( 6.163 11.729 13.110) 18.639 6.441 ( -1.446 -4.454 3.398) 5.786 6.689 ( 5.298 3.667 4.946) 8.123 6.911 ( -6.984 -2.138 -8.437) 11.160 7.363 ( 0.573 0.759 -6.006) 6.081 7.907 ( 0.137 -25.587 14.148) 29.238 8.254 ( -20.593 10.237 -24.379) 33.515 8.444 ( -25.267 -12.197 -23.423) 36.549 8.992 ( 3.768 6.615 4.276) 8.732 9.124 ( 2.523 -28.605 2.216) 28.802 9.489 ( 0.540 -18.646 3.801) 19.037 10.294 ( 4.454 1.311 3.910) 6.070 10.331 ( 5.808 -0.800 4.593) 7.448 10.615 ( 2.642 10.308 2.925) 11.036 10.939 ( -4.660 1.281 -4.078) 6.324 10.995 ( 0.359 -7.153 0.234) 7.166 11.018 ( -0.894 -3.831 -2.026) 4.425 11.107 ( 0.948 0.039 -0.479) 1.063 11.128 ( -0.558 -1.206 0.545) 1.436 13.024 ( 2.790 6.657 2.149) 7.531 13.216 ( 1.699 -2.408 1.363) 3.247 13.242 ( 2.786 23.403 2.561) 23.707 13.935 ( -3.485 -10.987 -4.168) 12.257 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.25 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 8.259 12.919 7.329) 16.995 1.638 ( 8.049 11.375 3.565) 14.383 1.939 ( 1.827 -8.505 4.955) 10.011 1.952 ( 2.412 -2.713 5.658) 6.722 2.050 ( 4.021 -8.383 0.589) 9.316 2.150 ( -2.415 -0.391 -2.675) 3.625 2.250 ( -2.011 -5.973 -1.886) 6.579 2.444 ( -8.549 -1.576 -4.956) 10.006 2.548 ( -1.110 -3.357 -8.345) 9.063 2.656 ( -2.245 -3.071 -2.172) 4.381 2.728 ( -6.825 7.025 0.343) 9.801 2.951 ( 9.839 3.840 2.315) 10.812 2.993 ( 4.614 2.898 -1.152) 5.569 3.058 ( -2.908 -1.176 1.614) 3.528 3.156 ( 7.818 9.052 1.860) 12.104 3.253 ( 2.814 7.326 -0.616) 7.872 3.285 ( -1.044 -6.852 -5.813) 9.046 3.641 ( 0.177 -6.836 -14.376) 15.919 3.745 ( 3.613 7.669 3.763) 9.275 3.866 ( 4.362 5.486 4.630) 8.400 4.038 ( -2.682 -1.184 -0.049) 2.932 4.315 ( 7.252 3.090 -7.478) 10.865 4.422 ( 8.233 1.108 -9.924) 12.942 4.538 ( 10.533 -5.938 6.368) 13.665 4.695 ( -2.636 11.858 2.774) 12.460 4.820 ( 7.485 0.657 1.419) 7.646 4.842 ( 6.002 4.773 4.292) 8.788 5.041 ( 0.694 2.703 -5.131) 5.841 5.352 ( 7.794 8.071 2.418) 11.477 5.403 ( 0.351 -3.807 7.627) 8.531 5.448 ( -1.801 -2.935 -1.094) 3.613 5.670 ( 5.446 3.002 -3.598) 7.184 5.773 ( -1.900 10.016 3.088) 10.652 5.837 ( -1.798 4.982 -6.644) 8.497 5.983 ( 3.119 8.901 -0.546) 9.448 6.101 ( -1.955 4.669 -2.584) 5.683 6.273 ( -4.229 -5.016 2.656) 7.078 6.392 ( -0.318 10.056 -3.183) 10.552 6.479 ( -0.157 -2.941 10.664) 11.063 6.800 ( -1.473 12.734 -3.445) 13.274 6.906 ( 17.116 5.975 23.577) 29.741 7.278 ( -12.034 -3.555 -20.232) 23.807 7.787 ( -18.671 -12.626 -23.315) 32.429 7.979 ( -2.460 8.638 -5.591) 10.579 8.086 ( -1.670 -28.503 0.412) 28.555 8.935 ( -8.708 4.881 19.312) 21.739 9.070 ( -6.609 -32.287 4.182) 33.221 9.402 ( -10.027 -12.509 22.901) 27.955 10.427 ( 7.999 2.988 -2.561) 8.915 10.499 ( 9.936 -1.306 0.064) 10.022 10.682 ( 3.930 7.868 3.773) 9.570 10.841 ( -4.758 3.207 -4.758) 7.454 10.993 ( -0.934 -4.964 -1.947) 5.413 11.014 ( 0.565 -7.886 0.426) 7.917 11.094 ( -2.573 -0.777 2.362) 3.578 11.102 ( -1.550 -0.795 1.802) 2.506 13.115 ( 6.309 5.833 -4.387) 9.647 13.264 ( 2.897 -1.197 -2.935) 4.294 13.308 ( 3.294 18.395 -1.230) 18.728 13.833 ( -6.626 -7.304 -7.146) 12.178 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.38 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 3.993 5.087 3.987) 7.597 1.759 ( 4.128 4.859 2.266) 6.767 1.889 ( -6.223 -5.581 -0.519) 8.376 2.003 ( 3.063 -5.486 5.463) 8.326 2.080 ( -6.674 -8.713 -4.232) 11.762 2.112 ( -0.268 -8.816 6.441) 10.921 2.175 ( 0.653 0.609 -0.815) 1.208 2.342 ( -2.113 -4.899 3.938) 6.632 2.466 ( -3.691 0.736 -5.186) 6.408 2.602 ( -4.052 9.418 -0.045) 10.253 2.698 ( 3.964 -2.896 -2.558) 5.536 2.877 ( -7.487 -0.435 -4.517) 8.754 3.037 ( 2.626 2.741 -0.302) 3.808 3.137 ( -2.967 7.173 -2.427) 8.133 3.294 ( 12.533 6.639 -0.958) 14.216 3.340 ( 5.320 -7.595 -8.712) 12.723 3.568 ( 10.120 -3.293 -7.876) 13.240 3.698 ( 8.164 -0.927 -5.241) 9.745 3.795 ( 1.438 4.426 3.212) 5.655 3.928 ( -7.048 4.018 -2.041) 8.366 3.976 ( 9.812 14.863 11.666) 21.290 4.498 ( -1.748 11.108 2.745) 11.575 4.523 ( 10.326 -3.171 -7.608) 13.212 4.648 ( 0.592 1.343 -5.227) 5.429 4.774 ( 11.965 -0.698 0.654) 12.003 4.979 ( 7.071 7.595 -2.367) 10.644 5.000 ( 9.332 0.680 -0.097) 9.358 5.093 ( 4.635 1.816 -6.844) 8.463 5.318 ( -7.757 -4.599 -4.132) 9.920 5.406 ( -0.379 6.118 2.886) 6.776 5.469 ( -2.044 -6.524 -5.033) 8.490 5.682 ( -5.811 7.616 0.376) 9.587 5.734 ( -2.461 4.535 0.384) 5.174 5.810 ( 2.276 -1.947 0.822) 3.106 5.930 ( -12.247 6.097 -1.112) 13.726 6.020 ( -1.306 8.943 -5.613) 10.639 6.195 ( 2.439 1.221 -8.459) 8.888 6.445 ( 3.077 12.856 0.984) 13.256 6.481 ( 1.812 -2.535 1.546) 3.478 6.772 ( -6.588 8.495 -22.163) 24.633 6.966 ( -9.015 12.163 -13.669) 20.397 7.313 ( -3.323 0.591 -8.644) 9.280 7.404 ( 8.058 -1.855 7.447) 11.128 8.088 ( 1.636 -29.887 8.253) 31.049 8.220 ( 16.141 -2.726 25.551) 30.345 8.718 ( -9.244 0.752 21.696) 23.595 8.898 ( -9.728 -33.212 3.788) 34.814 9.098 ( -19.417 -10.838 30.669) 37.882 10.578 ( 6.241 5.365 -4.797) 9.526 10.696 ( 9.069 -1.600 0.026) 9.209 10.749 ( -2.774 5.192 -3.202) 6.701 10.782 ( 4.534 4.243 3.231) 7.000 10.955 ( -3.207 -3.972 -0.922) 5.188 11.012 ( -3.629 -1.002 2.804) 4.694 11.033 ( -0.559 -6.235 1.133) 6.362 11.065 ( -1.687 -3.535 2.043) 4.418 13.274 ( 9.243 3.797 -9.626) 13.875 13.324 ( 2.831 1.547 -6.456) 7.218 13.359 ( 1.536 12.009 -5.033) 13.111 13.673 ( -9.098 -3.271 -9.947) 13.872 ======================= Grid point 85 (35/100) ======================= q-point: (-0.50 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -6.666 -0.645 1.962) 6.978 1.708 ( 6.666 -0.645 1.962) 6.978 1.899 ( -7.016 -3.980 -2.405) 8.417 1.899 ( 7.016 -3.980 -2.405) 8.417 2.096 ( -2.744 -4.436 5.927) 7.895 2.096 ( 2.744 -4.436 5.927) 7.895 2.230 ( -5.450 -8.090 4.078) 10.573 2.230 ( 5.450 -8.090 4.078) 10.573 2.525 ( -5.268 6.728 -1.575) 8.689 2.525 ( 5.268 6.728 -1.575) 8.689 2.765 ( -3.338 0.549 -4.448) 5.588 2.765 ( 3.338 0.549 -4.448) 5.588 3.085 ( -2.247 5.347 -1.619) 6.021 3.085 ( 2.247 5.347 -1.619) 6.021 3.411 ( -1.444 -4.800 -7.215) 8.785 3.411 ( 1.444 -4.800 -7.215) 8.785 3.714 ( -7.241 7.203 -0.615) 10.232 3.714 ( 7.241 7.203 -0.615) 10.232 3.825 ( -2.319 -0.326 -2.488) 3.416 3.825 ( 2.319 -0.326 -2.488) 3.416 4.293 ( -16.040 12.768 5.569) 21.244 4.293 ( 16.040 12.768 5.569) 21.244 4.667 ( -1.789 -2.273 -1.579) 3.295 4.667 ( 1.789 -2.273 -1.579) 3.295 5.055 ( -12.727 1.686 -6.192) 14.253 5.055 ( 12.727 1.686 -6.192) 14.253 5.092 ( -1.076 2.337 -8.434) 8.818 5.092 ( 1.076 2.337 -8.434) 8.818 5.280 ( -11.933 2.184 -1.180) 12.189 5.280 ( 11.933 2.184 -1.180) 12.189 5.487 ( -8.677 -1.873 -2.336) 9.179 5.487 ( 8.677 -1.873 -2.336) 9.179 5.744 ( -3.371 3.019 1.296) 4.707 5.744 ( 3.371 3.019 1.296) 4.707 5.933 ( -5.741 6.447 -0.284) 8.638 5.933 ( 5.741 6.447 -0.284) 8.638 6.362 ( -10.353 4.836 -11.726) 16.372 6.362 ( 10.353 4.836 -11.726) 16.372 6.581 ( -6.836 7.310 -11.025) 14.890 6.581 ( 6.836 7.310 -11.025) 14.890 7.020 ( -10.678 5.648 -20.662) 23.934 7.020 ( 10.678 5.648 -20.662) 23.934 7.865 ( -21.167 -6.235 30.257) 37.448 7.865 ( 21.167 -6.235 30.257) 37.448 8.633 ( -17.700 -8.121 28.836) 34.796 8.633 ( 17.700 -8.121 28.836) 34.796 8.730 ( -2.956 -23.920 8.973) 25.719 8.730 ( 2.956 -23.920 8.973) 25.719 10.675 ( -3.886 6.343 -4.586) 8.739 10.675 ( 3.886 6.343 -4.586) 8.739 10.856 ( -6.565 -2.083 0.326) 6.895 10.856 ( 6.565 -2.083 0.326) 6.895 10.902 ( -6.244 1.466 4.103) 7.614 10.902 ( 6.244 1.466 4.103) 7.614 11.042 ( -0.719 -6.356 0.918) 6.462 11.042 ( 0.719 -6.356 0.918) 6.462 13.364 ( -1.031 6.077 -7.140) 9.432 13.364 ( 1.031 6.077 -7.140) 9.432 13.476 ( -10.230 0.567 -11.270) 15.232 13.476 ( 10.230 0.567 -11.270) 15.232 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 0.000 -0.198 6.215) 6.219 1.570 ( 0.000 0.198 6.215) 6.219 1.660 ( 0.000 -1.195 13.106) 13.161 1.660 ( 0.000 1.195 13.106) 13.161 1.875 ( 0.000 -1.071 0.752) 1.309 1.875 ( 0.000 1.071 0.752) 1.309 2.368 ( 0.000 -0.430 -3.958) 3.981 2.368 ( 0.000 0.430 -3.958) 3.981 2.771 ( 0.000 -1.262 5.737) 5.874 2.771 ( 0.000 1.262 5.737) 5.874 2.851 ( 0.000 -1.819 -5.674) 5.958 2.851 ( 0.000 1.819 -5.674) 5.958 3.115 ( 0.000 -12.221 5.080) 13.235 3.115 ( 0.000 12.221 5.080) 13.235 3.417 ( 0.000 -5.993 -1.525) 6.184 3.417 ( 0.000 5.993 -1.525) 6.184 3.504 ( 0.000 -3.469 -11.715) 12.218 3.504 ( 0.000 3.469 -11.715) 12.218 3.700 ( 0.000 -11.588 -2.165) 11.788 3.700 ( 0.000 11.588 -2.165) 11.788 3.857 ( 0.000 -1.206 -12.592) 12.649 3.857 ( 0.000 1.206 -12.592) 12.649 4.282 ( 0.000 -4.827 1.008) 4.931 4.282 ( 0.000 4.827 1.008) 4.931 4.765 ( 0.000 -1.945 14.174) 14.307 4.765 ( 0.000 1.945 14.174) 14.307 4.927 ( 0.000 -1.147 7.431) 7.519 4.927 ( 0.000 1.147 7.431) 7.519 5.328 ( 0.000 -6.781 2.605) 7.264 5.328 ( 0.000 6.781 2.605) 7.264 5.566 ( 0.000 -2.865 -1.082) 3.062 5.566 ( 0.000 2.865 -1.082) 3.062 5.815 ( 0.000 -2.463 0.589) 2.532 5.815 ( 0.000 2.463 0.589) 2.532 6.102 ( 0.000 -6.215 4.959) 7.951 6.102 ( 0.000 6.215 4.959) 7.951 6.239 ( 0.000 -10.550 6.267) 12.271 6.239 ( 0.000 10.550 6.267) 12.271 6.816 ( 0.000 -9.709 -3.481) 10.314 6.816 ( 0.000 9.709 -3.481) 10.314 6.839 ( 0.000 -18.783 3.699) 19.143 6.839 ( 0.000 18.783 3.699) 19.143 8.219 ( 0.000 -37.443 2.003) 37.496 8.219 ( 0.000 37.443 2.003) 37.496 8.727 ( 0.000 -8.039 -17.616) 19.364 8.727 ( 0.000 8.039 -17.616) 19.364 9.111 ( 0.000 -13.327 -8.357) 15.730 9.111 ( 0.000 13.327 -8.357) 15.730 10.264 ( 0.000 -0.611 8.727) 8.749 10.264 ( 0.000 0.611 8.727) 8.749 10.799 ( 0.000 -10.693 1.761) 10.837 10.799 ( 0.000 10.693 1.761) 10.837 11.019 ( 0.000 -0.553 -2.484) 2.545 11.019 ( 0.000 0.553 -2.484) 2.545 11.100 ( 0.000 -1.150 -2.198) 2.480 11.100 ( 0.000 1.150 -2.198) 2.480 13.119 ( 0.000 -5.498 4.201) 6.919 13.119 ( 0.000 5.498 4.201) 6.919 13.653 ( 0.000 -20.126 0.522) 20.133 13.653 ( 0.000 20.126 0.522) 20.133 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 5.618 -13.424 9.962) 17.636 1.643 ( 5.618 13.424 9.962) 17.636 1.758 ( 6.809 -10.901 3.646) 13.360 1.758 ( 6.809 10.901 3.646) 13.360 1.905 ( 4.347 -5.563 2.648) 7.540 1.905 ( 4.347 5.563 2.648) 7.540 2.363 ( -0.708 -6.913 -5.447) 8.829 2.363 ( -0.708 6.913 -5.447) 8.829 2.714 ( -6.508 -1.447 -3.448) 7.506 2.714 ( -6.508 1.447 -3.448) 7.506 2.883 ( 3.896 -5.386 2.550) 7.120 2.883 ( 3.896 5.386 2.550) 7.120 3.031 ( -6.113 -9.879 2.632) 11.912 3.031 ( -6.113 9.879 2.632) 11.912 3.285 ( -7.448 -4.919 1.111) 8.995 3.285 ( -7.448 4.919 1.111) 8.995 3.478 ( -1.672 -10.124 -16.377) 19.326 3.478 ( -1.672 10.124 -16.377) 19.326 3.813 ( 6.688 -6.217 -0.237) 9.134 3.813 ( 6.688 6.217 -0.237) 9.134 3.968 ( 8.262 -7.809 -0.250) 11.371 3.968 ( 8.262 7.809 -0.250) 11.371 4.328 ( 4.649 -5.121 -4.235) 8.110 4.328 ( 4.649 5.121 -4.235) 8.110 4.761 ( 1.200 -3.142 9.513) 10.090 4.761 ( 1.200 3.142 9.513) 10.090 4.943 ( 0.808 -8.834 6.753) 11.149 4.943 ( 0.808 8.834 6.753) 11.149 5.336 ( 1.216 -6.344 3.332) 7.268 5.336 ( 1.216 6.344 3.332) 7.268 5.564 ( 0.749 -4.573 -3.625) 5.883 5.564 ( 0.749 4.573 -3.625) 5.883 5.901 ( 3.440 -4.441 -2.396) 6.107 5.901 ( 3.440 4.441 -2.396) 6.107 6.107 ( 1.368 -5.730 5.990) 8.401 6.107 ( 1.368 5.730 5.990) 8.401 6.270 ( 3.645 -8.697 7.211) 11.871 6.270 ( 3.645 8.697 7.211) 11.871 6.797 ( -1.802 -11.465 -4.772) 12.548 6.797 ( -1.802 11.465 -4.772) 12.548 6.885 ( 5.265 -29.927 9.117) 31.725 6.885 ( 5.265 29.927 9.117) 31.725 8.079 ( -14.701 -26.325 -9.126) 31.502 8.079 ( -14.701 26.325 -9.126) 31.502 8.523 ( -11.772 -20.128 -15.239) 27.855 8.523 ( -11.772 20.128 -15.239) 27.855 9.228 ( 4.299 -11.856 6.893) 14.373 9.228 ( 4.299 11.856 6.893) 14.373 10.315 ( 5.311 -0.932 4.508) 7.028 10.315 ( 5.311 0.932 4.508) 7.028 10.813 ( 1.285 -10.095 1.604) 10.302 10.813 ( 1.285 10.095 1.604) 10.302 10.973 ( -3.388 -1.769 -3.364) 5.091 10.973 ( -3.388 1.769 -3.364) 5.091 11.113 ( 0.219 -0.519 -0.175) 0.590 11.113 ( 0.219 0.519 -0.175) 0.590 13.142 ( 2.330 -5.240 1.791) 6.008 13.142 ( 2.330 5.240 1.791) 6.008 13.650 ( -0.467 -18.472 -0.959) 18.502 13.650 ( -0.467 18.472 -0.959) 18.502 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 2.571 -11.544 9.658) 15.270 1.733 ( 2.571 11.544 9.658) 15.270 1.858 ( 4.277 -9.159 1.388) 10.203 1.858 ( 4.277 9.159 1.388) 10.203 2.006 ( 1.130 -7.553 1.449) 7.774 2.006 ( 1.130 7.553 1.449) 7.774 2.318 ( -3.590 -7.844 -3.839) 9.442 2.318 ( -3.590 7.844 -3.839) 9.442 2.582 ( -4.609 -3.926 -8.071) 10.090 2.582 ( -4.609 3.926 -8.071) 10.090 2.864 ( -4.174 -7.067 1.720) 8.386 2.864 ( -4.174 7.067 1.720) 8.386 3.060 ( 6.435 -2.790 0.591) 7.039 3.060 ( 6.435 2.790 0.591) 7.039 3.234 ( 3.641 -1.775 -2.639) 4.834 3.234 ( 3.641 1.775 -2.639) 4.834 3.452 ( 0.046 -11.600 -11.652) 16.442 3.452 ( 0.046 11.600 -11.652) 16.442 3.914 ( 2.880 -6.618 0.756) 7.257 3.914 ( 2.880 6.618 0.756) 7.257 4.130 ( 8.072 -15.166 9.658) 19.708 4.130 ( 8.072 15.166 9.658) 19.708 4.468 ( 8.896 -2.780 -9.245) 13.127 4.468 ( 8.896 2.780 -9.245) 13.127 4.832 ( 4.701 -0.941 5.678) 7.431 4.832 ( 4.701 0.941 5.678) 7.431 4.960 ( 1.951 -10.570 0.419) 10.757 4.960 ( 1.951 10.570 0.419) 10.757 5.358 ( -0.291 -2.012 2.402) 3.147 5.358 ( -0.291 2.012 2.402) 3.147 5.600 ( 2.597 -9.026 -3.575) 10.049 5.600 ( 2.597 9.026 -3.575) 10.049 5.901 ( -2.237 -0.919 -4.287) 4.922 5.901 ( -2.237 0.919 -4.287) 4.922 6.102 ( -2.278 -6.729 5.086) 8.737 6.102 ( -2.278 6.729 5.086) 8.737 6.322 ( -1.756 -10.888 -3.476) 11.564 6.322 ( -1.756 10.888 -3.476) 11.564 6.856 ( 8.231 -25.422 3.552) 26.956 6.856 ( 8.231 25.422 3.552) 26.956 7.021 ( 8.062 -10.089 13.226) 18.485 7.021 ( 8.062 10.089 13.226) 18.485 7.693 ( -19.681 -11.327 -24.516) 33.417 7.693 ( -19.681 11.327 -24.516) 33.417 8.359 ( -5.101 -28.906 -2.455) 29.455 8.359 ( -5.101 28.906 -2.455) 29.455 9.178 ( -9.151 -11.762 24.553) 28.721 9.178 ( -9.151 11.762 24.553) 28.721 10.470 ( 9.315 -1.732 -0.788) 9.508 10.470 ( 9.315 1.732 -0.788) 9.508 10.845 ( 1.790 -8.600 1.440) 8.901 10.845 ( 1.790 8.600 1.440) 8.901 10.908 ( -2.821 -3.658 -3.501) 5.796 10.908 ( -2.821 3.658 -3.501) 5.796 11.093 ( -2.201 -0.311 2.077) 3.042 11.093 ( -2.201 0.311 2.077) 3.042 13.213 ( 4.743 -4.077 -3.506) 7.170 13.213 ( 4.743 4.077 -3.506) 7.170 13.626 ( -2.119 -14.090 -4.236) 14.865 13.626 ( -2.119 14.090 -4.236) 14.865 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -0.065 -8.887 5.881) 10.657 1.751 ( -0.065 8.887 5.881) 10.657 1.882 ( -5.661 -7.077 0.206) 9.065 1.882 ( -5.661 7.077 0.206) 9.065 1.991 ( 3.948 -3.125 4.527) 6.771 1.991 ( 3.948 3.125 4.527) 6.771 2.220 ( -5.963 -4.495 1.508) 7.619 2.220 ( -5.963 4.495 1.508) 7.619 2.581 ( 3.649 -7.268 -6.975) 10.714 2.581 ( 3.649 7.268 -6.975) 10.714 2.775 ( -4.752 -7.637 0.197) 8.997 2.775 ( -4.752 7.638 0.197) 8.997 3.171 ( 4.890 -9.198 -5.373) 11.722 3.171 ( 4.890 9.198 -5.373) 11.722 3.305 ( -0.382 -6.440 -7.105) 9.597 3.305 ( -0.382 6.440 -7.105) 9.597 3.578 ( 12.277 -5.565 -5.041) 14.391 3.578 ( 12.277 5.565 -5.041) 14.391 3.915 ( -2.799 -3.761 -0.012) 4.688 3.915 ( -2.799 3.761 -0.012) 4.688 4.319 ( 11.073 -16.675 7.161) 21.259 4.319 ( 11.073 16.675 7.161) 21.259 4.622 ( 3.271 -3.148 -2.540) 5.202 4.622 ( 3.271 3.148 -2.540) 5.202 4.911 ( 5.257 -10.197 -0.820) 11.502 4.911 ( 5.257 10.197 -0.820) 11.502 5.076 ( 8.555 -3.554 -3.130) 9.778 5.076 ( 8.555 3.554 -3.130) 9.778 5.299 ( -4.718 -4.717 -4.905) 8.280 5.299 ( -4.718 4.717 -4.905) 8.280 5.621 ( -4.532 -9.648 -0.155) 10.660 5.621 ( -4.532 9.648 -0.155) 10.660 5.818 ( -3.034 -2.799 -0.584) 4.169 5.818 ( -3.034 2.799 -0.584) 4.169 6.013 ( -6.773 -6.367 6.987) 11.629 6.013 ( -6.773 6.367 6.987) 11.629 6.326 ( 6.189 -8.949 -16.524) 19.785 6.326 ( 6.189 8.949 -16.524) 19.785 6.853 ( -11.573 -11.542 -20.184) 25.972 6.853 ( -11.573 11.542 -20.184) 25.972 7.253 ( 12.882 -13.954 16.972) 25.469 7.253 ( 12.882 13.954 16.972) 25.469 7.460 ( -2.270 -23.912 -6.588) 24.906 7.460 ( -2.270 23.912 -6.588) 24.906 8.328 ( 3.398 -16.737 9.736) 19.659 8.328 ( 3.398 16.737 9.736) 19.659 8.897 ( -17.556 -10.488 31.407) 37.478 8.897 ( -17.556 10.488 31.407) 37.478 10.654 ( 8.345 -2.860 -2.192) 9.090 10.654 ( 8.345 2.860 -2.192) 9.090 10.853 ( -2.338 -5.617 -3.337) 6.939 10.853 ( -2.338 5.617 -3.337) 6.939 10.889 ( 2.043 -6.678 1.923) 7.243 10.889 ( 2.043 6.678 1.923) 7.243 11.029 ( -3.983 -0.998 3.348) 5.298 11.029 ( -3.983 0.998 3.348) 5.298 13.327 ( 6.291 -1.394 -7.856) 10.160 13.327 ( 6.291 1.394 -7.856) 10.160 13.561 ( -4.365 -8.451 -7.441) 12.076 13.561 ( -4.365 8.451 -7.441) 12.076 ======================= Grid point 98 (40/100) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -3.060 -6.855 2.971) 8.074 1.774 ( 2.742 -6.822 2.971) 7.930 1.774 ( -2.742 6.822 2.971) 7.930 1.774 ( 3.060 6.855 2.971) 8.074 2.100 ( -3.825 -3.694 3.439) 6.333 2.100 ( -2.733 -3.443 3.439) 5.581 2.100 ( 2.733 3.443 3.439) 5.581 2.100 ( 3.825 3.694 3.439) 6.333 2.675 ( -4.869 -7.668 -2.918) 9.540 2.675 ( 4.296 -7.582 -2.918) 9.190 2.675 ( -4.296 7.582 -2.918) 9.190 2.675 ( 4.869 7.668 -2.918) 9.540 3.258 ( -3.588 -10.104 -6.982) 12.796 3.258 ( 3.567 -10.103 -6.982) 12.788 3.258 ( -3.567 10.103 -6.982) 12.788 3.258 ( 3.588 10.104 -6.982) 12.796 3.802 ( -8.488 -2.416 -1.702) 8.988 3.802 ( -7.991 1.946 -1.702) 8.399 3.802 ( 7.991 -1.946 -1.702) 8.399 3.802 ( 8.488 2.416 -1.702) 8.988 4.544 ( -9.423 -10.723 3.341) 14.661 4.544 ( 9.234 -10.682 3.341) 14.510 4.544 ( -9.234 10.682 3.341) 14.510 4.544 ( 9.423 10.723 3.341) 14.661 5.078 ( -8.828 -2.056 -6.882) 11.381 5.078 ( -8.647 1.854 -6.882) 11.206 5.078 ( 8.647 -1.854 -6.882) 11.206 5.078 ( 8.828 2.056 -6.882) 11.381 5.384 ( -13.341 -6.653 -3.471) 15.307 5.384 ( -2.945 -1.389 -3.471) 4.759 5.384 ( 2.945 1.389 -3.471) 4.759 5.384 ( 13.341 6.653 -3.471) 15.307 5.875 ( -5.788 -7.995 6.080) 11.593 5.875 ( 4.696 -7.814 6.080) 10.958 5.875 ( -4.696 7.814 6.080) 10.958 5.875 ( 5.788 7.995 6.080) 11.593 6.553 ( -13.463 -8.516 -24.535) 29.253 6.553 ( -2.406 -5.353 -24.535) 25.227 6.553 ( 2.406 5.353 -24.535) 25.227 6.553 ( 13.463 8.516 -24.535) 29.253 7.430 ( -3.732 -32.091 6.396) 32.935 7.430 ( 3.576 -32.087 6.396) 32.913 7.430 ( -3.576 32.087 6.396) 32.913 7.430 ( 3.732 32.091 6.396) 32.935 8.535 ( -16.261 -3.423 26.200) 31.025 8.535 ( -16.083 3.206 26.200) 30.909 8.535 ( 16.083 -3.206 26.200) 30.909 8.535 ( 16.261 3.423 26.200) 31.025 10.787 ( -4.641 -5.046 -3.219) 7.574 10.787 ( 4.532 -5.021 -3.219) 7.490 10.787 ( -4.532 5.021 -3.219) 7.490 10.787 ( 4.641 5.046 -3.219) 7.574 10.946 ( -3.743 -3.413 3.391) 6.096 10.946 ( 3.709 -3.403 3.391) 6.070 10.946 ( -3.709 3.403 3.391) 6.070 10.946 ( 3.743 3.413 3.391) 6.096 13.454 ( -6.078 -2.998 -9.075) 11.326 13.454 ( -1.487 0.551 -9.075) 9.212 13.454 ( 1.487 -0.551 -9.075) 9.212 13.454 ( 6.078 2.998 -9.075) 11.326 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 0.000 0.000 24.635) 24.635 1.251 ( 0.000 0.000 24.181) 24.181 1.813 ( 0.000 0.000 17.445) 17.445 2.156 ( 0.000 0.000 -2.433) 2.433 2.184 ( 0.000 0.000 2.443) 2.443 2.205 ( 0.000 0.000 24.756) 24.756 2.421 ( 0.000 0.000 6.689) 6.689 2.435 ( 0.000 0.000 -16.403) 16.403 2.532 ( 0.000 0.000 -2.448) 2.448 2.559 ( 0.000 0.000 -2.076) 2.076 2.666 ( 0.000 0.000 -9.744) 9.744 2.805 ( 0.000 0.000 -5.083) 5.083 2.835 ( 0.000 0.000 -3.487) 3.487 2.912 ( 0.000 0.000 3.712) 3.712 3.150 ( 0.000 0.000 4.677) 4.677 3.317 ( 0.000 0.000 -3.861) 3.861 3.432 ( 0.000 0.000 -10.652) 10.652 3.632 ( 0.000 0.000 -11.937) 11.937 3.665 ( 0.000 0.000 -3.652) 3.652 3.752 ( 0.000 0.000 7.027) 7.027 3.866 ( 0.000 0.000 -6.211) 6.211 3.890 ( 0.000 0.000 4.688) 4.688 3.967 ( 0.000 0.000 2.141) 2.141 4.405 ( 0.000 0.000 -5.957) 5.957 4.463 ( 0.000 0.000 -7.464) 7.464 4.570 ( 0.000 0.000 16.394) 16.394 4.932 ( 0.000 0.000 13.699) 13.699 5.095 ( 0.000 0.000 13.909) 13.909 5.306 ( 0.000 0.000 -4.344) 4.344 5.417 ( 0.000 0.000 5.160) 5.160 5.493 ( 0.000 0.000 7.711) 7.711 5.609 ( 0.000 0.000 -4.951) 4.951 5.659 ( 0.000 0.000 4.723) 4.723 5.779 ( 0.000 0.000 6.514) 6.514 5.830 ( 0.000 0.000 6.235) 6.235 6.084 ( 0.000 0.000 21.961) 21.961 6.107 ( 0.000 0.000 6.824) 6.824 6.321 ( 0.000 0.000 0.735) 0.735 6.421 ( 0.000 0.000 -3.643) 3.643 6.697 ( 0.000 0.000 1.237) 1.237 6.858 ( 0.000 0.000 -13.011) 13.011 7.652 ( 0.000 0.000 14.859) 14.859 7.911 ( 0.000 0.000 -27.570) 27.570 8.189 ( 0.000 0.000 -19.505) 19.505 8.549 ( 0.000 0.000 -21.702) 21.702 9.121 ( 0.000 0.000 6.246) 6.246 9.170 ( 0.000 0.000 -8.583) 8.583 10.297 ( 0.000 0.000 -14.934) 14.934 10.345 ( 0.000 0.000 4.572) 4.572 10.437 ( 0.000 0.000 9.782) 9.782 10.495 ( 0.000 0.000 9.870) 9.870 10.802 ( 0.000 0.000 -9.069) 9.069 10.937 ( 0.000 0.000 -2.496) 2.496 11.004 ( 0.000 0.000 -2.817) 2.817 11.203 ( 0.000 0.000 0.441) 0.441 11.259 ( 0.000 0.000 -0.654) 0.654 12.772 ( 0.000 0.000 16.142) 16.142 13.009 ( 0.000 0.000 11.114) 11.114 13.293 ( 0.000 0.000 2.475) 2.475 14.003 ( 0.000 0.000 -8.248) 8.248 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 9.451 0.000 20.228) 22.327 1.224 ( 0.132 0.000 23.296) 23.297 1.961 ( 9.851 0.000 11.260) 14.961 2.181 ( 2.576 0.000 -0.768) 2.688 2.234 ( 4.920 0.000 3.761) 6.193 2.273 ( -3.937 0.000 11.194) 11.866 2.328 ( -4.948 0.000 -2.196) 5.413 2.381 ( -0.551 0.000 -7.788) 7.807 2.478 ( -2.797 0.000 -10.563) 10.927 2.636 ( 1.637 0.000 0.015) 1.637 2.650 ( 6.887 0.000 7.062) 9.865 2.691 ( -1.365 0.000 -3.839) 4.074 2.836 ( -1.872 0.000 -2.403) 3.046 3.136 ( -9.041 0.000 -2.189) 9.302 3.165 ( 2.205 0.000 4.947) 5.416 3.177 ( 13.206 0.000 1.028) 13.246 3.442 ( 2.237 0.000 -7.825) 8.138 3.605 ( -7.142 0.000 -5.570) 9.057 3.720 ( 4.794 0.000 -4.864) 6.829 3.733 ( -0.714 0.000 2.827) 2.916 3.875 ( 0.480 0.000 -4.604) 4.629 3.879 ( -2.973 0.000 7.267) 7.851 4.136 ( 12.015 0.000 -5.399) 13.172 4.296 ( -7.688 0.000 1.824) 7.901 4.445 ( 1.823 0.000 -3.083) 3.582 4.671 ( 3.475 0.000 -1.249) 3.693 4.882 ( -2.224 0.000 9.517) 9.773 5.079 ( -1.436 0.000 13.300) 13.377 5.272 ( -0.730 0.000 -4.544) 4.602 5.338 ( -5.928 0.000 0.440) 5.944 5.589 ( -1.053 0.000 0.858) 1.358 5.612 ( 4.233 0.000 3.510) 5.499 5.662 ( -0.378 0.000 0.581) 0.694 5.672 ( -1.975 0.000 7.176) 7.442 5.777 ( -6.610 0.000 1.438) 6.764 6.148 ( 0.763 0.000 5.325) 5.379 6.222 ( 9.190 0.000 8.813) 12.733 6.281 ( -2.928 0.000 0.450) 2.963 6.617 ( 21.260 0.000 16.799) 27.096 6.621 ( -7.881 0.000 -8.116) 11.313 6.916 ( 4.874 0.000 -0.046) 4.874 7.312 ( -36.156 0.000 -30.009) 46.988 7.738 ( 1.044 0.000 2.296) 2.522 8.110 ( -20.977 0.000 -7.667) 22.335 8.657 ( 23.201 0.000 -11.436) 25.866 9.092 ( 0.368 0.000 8.326) 8.334 9.612 ( 26.358 0.000 -4.608) 26.758 10.229 ( -6.551 0.000 -14.129) 15.574 10.268 ( -4.452 0.000 5.086) 6.760 10.507 ( 1.367 0.000 9.663) 9.760 10.526 ( 6.091 0.000 7.622) 9.757 10.703 ( -6.800 0.000 -6.896) 9.685 11.004 ( 3.794 0.000 -3.107) 4.904 11.070 ( 4.574 0.000 -3.234) 5.602 11.204 ( 0.169 0.000 0.433) 0.464 11.260 ( 0.017 0.000 -0.448) 0.448 12.801 ( 2.799 0.000 12.760) 13.063 12.949 ( -5.373 0.000 6.910) 8.754 13.265 ( -2.635 0.000 0.644) 2.712 13.898 ( -9.617 0.000 -9.744) 13.691 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 8.704 0.000 10.357) 13.529 1.410 ( 13.575 0.000 10.902) 17.411 1.977 ( -7.890 0.000 2.653) 8.324 2.115 ( -7.659 0.000 -3.448) 8.399 2.235 ( 2.447 0.000 3.635) 4.382 2.287 ( -9.476 0.000 -8.712) 12.872 2.306 ( 7.646 0.000 -1.146) 7.731 2.367 ( 2.721 0.000 0.850) 2.851 2.446 ( -6.235 0.000 -9.760) 11.582 2.704 ( 2.878 0.000 0.755) 2.975 2.759 ( 10.302 0.000 9.917) 14.300 2.783 ( 0.360 0.000 6.545) 6.555 2.917 ( 14.417 0.000 5.023) 15.266 3.095 ( 7.972 0.000 -3.142) 8.569 3.240 ( 4.311 0.000 3.690) 5.674 3.329 ( 1.283 0.000 -4.397) 4.580 3.413 ( -7.895 0.000 -9.891) 12.656 3.567 ( 5.704 0.000 3.300) 6.590 3.671 ( -9.227 0.000 1.998) 9.441 3.773 ( 0.631 0.000 6.282) 6.314 3.831 ( 4.150 0.000 0.895) 4.246 3.909 ( 2.423 0.000 -2.076) 3.191 4.249 ( 1.846 0.000 -2.663) 3.240 4.306 ( 5.862 0.000 -6.628) 8.848 4.418 ( -2.623 0.000 -1.089) 2.840 4.687 ( -1.285 0.000 -9.091) 9.182 4.898 ( 2.197 0.000 3.610) 4.226 5.099 ( 3.689 0.000 5.668) 6.763 5.207 ( -7.485 0.000 -8.915) 11.640 5.286 ( 1.255 0.000 -7.426) 7.531 5.492 ( -7.860 0.000 0.235) 7.864 5.581 ( 0.117 0.000 5.348) 5.349 5.634 ( -2.376 0.000 -2.421) 3.392 5.649 ( -2.028 0.000 0.659) 2.132 5.828 ( 4.929 0.000 3.244) 5.901 6.091 ( -5.280 0.000 -3.303) 6.228 6.174 ( -4.194 0.000 -4.068) 5.843 6.389 ( -14.844 0.000 -4.768) 15.591 6.451 ( 10.098 0.000 4.386) 11.010 6.588 ( -31.770 0.000 -32.568) 45.498 7.006 ( 3.111 0.000 8.287) 8.851 7.206 ( 32.152 0.000 33.008) 46.079 7.290 ( -28.316 0.000 -28.255) 40.001 8.310 ( 25.359 0.000 27.129) 37.136 8.962 ( 5.676 0.000 6.030) 8.281 9.146 ( 5.270 0.000 7.443) 9.120 9.999 ( 3.533 0.000 4.784) 5.948 10.061 ( -4.573 0.000 -3.629) 5.838 10.217 ( 0.119 0.000 0.189) 0.223 10.572 ( -5.996 0.000 -5.475) 8.120 10.574 ( 6.556 0.000 5.463) 8.534 10.657 ( 6.862 0.000 6.302) 9.317 11.050 ( 0.600 0.000 -1.222) 1.362 11.125 ( 0.380 0.000 -0.784) 0.871 11.209 ( 0.310 0.000 0.419) 0.521 11.256 ( -0.503 0.000 0.247) 0.561 12.837 ( -4.253 0.000 -5.025) 6.584 12.875 ( 4.282 0.000 4.659) 6.328 13.196 ( -3.917 0.000 -3.822) 5.473 13.650 ( -14.406 0.000 -14.805) 20.657 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 13.384 0.000 -1.485) 13.466 1.677 ( 12.305 0.000 0.686) 12.324 1.861 ( -2.168 0.000 -2.767) 3.515 1.953 ( -7.843 0.000 -4.751) 9.170 2.073 ( -9.855 0.000 -8.978) 13.332 2.205 ( -14.097 0.000 -13.127) 19.262 2.279 ( 1.661 0.000 8.049) 8.219 2.361 ( -2.781 0.000 5.733) 6.372 2.519 ( 10.052 0.000 7.967) 12.826 2.782 ( 3.502 0.000 11.585) 12.103 2.870 ( 3.111 0.000 2.442) 3.955 2.896 ( 9.180 0.000 9.210) 13.004 3.161 ( 7.318 0.000 2.112) 7.617 3.230 ( -5.824 0.000 -5.753) 8.186 3.287 ( 0.201 0.000 10.269) 10.271 3.297 ( 1.397 0.000 -12.234) 12.314 3.452 ( 1.932 0.000 -4.790) 5.165 3.481 ( -6.927 0.000 0.223) 6.930 3.556 ( 6.490 0.000 8.977) 11.078 3.881 ( 8.591 0.000 3.727) 9.365 3.919 ( -0.622 0.000 -1.747) 1.854 4.020 ( 13.299 0.000 -12.256) 18.085 4.310 ( 2.859 0.000 -5.437) 6.143 4.320 ( -5.547 0.000 -0.344) 5.557 4.515 ( 12.447 0.000 -8.643) 15.154 4.648 ( -1.465 0.000 -13.446) 13.526 4.958 ( 3.289 0.000 0.423) 3.316 5.004 ( -13.487 0.000 -20.542) 24.574 5.070 ( -7.070 0.000 3.306) 7.805 5.320 ( 0.788 0.000 -10.941) 10.969 5.428 ( 1.745 0.000 -9.306) 9.469 5.564 ( -2.613 0.000 3.259) 4.178 5.581 ( -2.273 0.000 -5.273) 5.742 5.636 ( -0.492 0.000 3.480) 3.514 5.782 ( -7.579 0.000 6.499) 9.984 5.968 ( -5.644 0.000 -6.622) 8.701 6.033 ( -16.102 0.000 -0.408) 16.107 6.104 ( -14.251 0.000 -18.504) 23.356 6.208 ( 5.712 0.000 -15.363) 16.391 6.556 ( -3.757 0.000 -13.778) 14.281 6.905 ( -4.550 0.000 -1.766) 4.881 7.037 ( -1.466 0.000 9.045) 9.163 7.869 ( 32.300 0.000 35.275) 47.829 8.873 ( -13.630 0.000 23.019) 26.751 8.885 ( 29.727 0.000 28.315) 41.054 9.307 ( 10.705 0.000 6.921) 12.747 9.775 ( -14.113 0.000 -8.191) 16.317 9.984 ( -12.590 0.000 30.244) 32.759 10.272 ( 4.525 0.000 -4.579) 6.438 10.464 ( -4.870 0.000 -4.842) 6.867 10.771 ( 10.998 0.000 2.564) 11.293 10.800 ( 7.184 0.000 5.000) 8.753 11.027 ( -2.958 0.000 1.302) 3.231 11.086 ( -4.123 0.000 2.221) 4.683 11.217 ( 0.428 0.000 0.454) 0.624 11.241 ( -0.818 0.000 0.708) 1.082 12.836 ( 4.975 0.000 -18.567) 19.222 12.962 ( 4.195 0.000 -3.664) 5.570 13.117 ( -3.849 0.000 -7.975) 8.855 13.339 ( -16.074 0.000 -20.750) 26.247 ======================= Grid point 130 (45/100) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -9.260 0.000 -1.462) 9.374 1.795 ( 9.260 0.000 -1.462) 9.374 1.890 ( -9.094 0.000 -7.037) 11.499 1.890 ( 9.094 0.000 -7.037) 11.499 1.932 ( -10.434 0.000 -11.639) 15.631 1.932 ( 10.434 0.000 -11.639) 15.631 2.311 ( -1.841 0.000 9.455) 9.632 2.311 ( 1.841 0.000 9.455) 9.632 2.702 ( -8.064 0.000 8.429) 11.666 2.702 ( 8.064 0.000 8.429) 11.666 3.057 ( -11.631 0.000 6.555) 13.351 3.057 ( 11.631 0.000 6.555) 13.351 3.088 ( -9.145 0.000 10.712) 14.085 3.088 ( 9.145 0.000 10.712) 14.085 3.334 ( -4.250 0.000 -8.212) 9.247 3.334 ( 4.250 0.000 -8.212) 9.247 3.377 ( -5.510 0.000 0.943) 5.591 3.377 ( 5.510 0.000 0.943) 5.591 3.815 ( -8.804 0.000 -2.446) 9.137 3.815 ( 8.804 0.000 -2.446) 9.137 4.130 ( -12.789 0.000 -1.526) 12.879 4.130 ( 12.789 0.000 -1.526) 12.879 4.276 ( -8.532 0.000 -11.079) 13.984 4.276 ( 8.532 0.000 -11.079) 13.984 4.719 ( -10.788 0.000 -21.882) 24.396 4.719 ( 10.788 0.000 -21.882) 24.396 4.792 ( -13.784 0.000 -3.757) 14.286 4.792 ( 13.784 0.000 -3.757) 14.286 5.175 ( -12.081 0.000 -6.131) 13.548 5.175 ( 12.081 0.000 -6.131) 13.548 5.530 ( -6.712 0.000 -2.341) 7.109 5.530 ( 6.712 0.000 -2.341) 7.109 5.538 ( -0.970 0.000 -3.983) 4.100 5.538 ( 0.970 0.000 -3.983) 4.100 5.792 ( -7.703 0.000 3.251) 8.361 5.792 ( 7.703 0.000 3.251) 8.361 5.946 ( -3.479 0.000 -6.992) 7.809 5.946 ( 3.479 0.000 -6.992) 7.809 6.376 ( -9.985 0.000 -20.738) 23.017 6.376 ( 9.985 0.000 -20.738) 23.017 6.966 ( -5.212 0.000 11.448) 12.579 6.966 ( 5.212 0.000 11.448) 12.579 8.464 ( -25.943 0.000 32.089) 41.264 8.464 ( 25.943 0.000 32.089) 41.264 9.404 ( -17.539 0.000 10.014) 20.197 9.404 ( 17.539 0.000 10.014) 20.197 9.639 ( -15.744 0.000 21.597) 26.726 9.639 ( 15.744 0.000 21.597) 26.726 10.369 ( -4.755 0.000 -5.000) 6.900 10.369 ( 4.755 0.000 -5.000) 6.900 10.935 ( -5.926 0.000 3.484) 6.874 10.935 ( 5.926 0.000 3.484) 6.874 10.964 ( -7.885 0.000 3.520) 8.636 10.964 ( 7.885 0.000 3.520) 8.636 11.227 ( -0.608 0.000 0.590) 0.847 11.227 ( 0.608 0.000 0.590) 0.847 13.032 ( -13.542 0.000 -23.673) 27.273 13.032 ( 13.542 0.000 -23.673) 27.273 13.041 ( -3.722 0.000 -8.384) 9.173 13.041 ( 3.722 0.000 -8.384) 9.173 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 0.000 11.968 15.867) 19.875 1.326 ( 0.000 7.387 20.258) 21.563 1.935 ( 0.000 6.795 10.743) 12.711 2.094 ( 0.000 -5.844 -2.900) 6.524 2.153 ( 0.000 -3.071 1.440) 3.392 2.251 ( 0.000 -9.352 -0.426) 9.362 2.281 ( 0.000 10.390 24.671) 26.769 2.440 ( 0.000 -4.194 -15.812) 16.359 2.498 ( 0.000 -3.275 -3.351) 4.686 2.592 ( 0.000 4.320 2.333) 4.910 2.741 ( 0.000 2.310 1.239) 2.621 2.774 ( 0.000 -1.329 -5.892) 6.040 2.909 ( 0.000 4.861 0.271) 4.868 2.958 ( 0.000 9.408 1.548) 9.534 3.244 ( 0.000 8.548 0.836) 8.588 3.291 ( 0.000 -2.665 -4.101) 4.891 3.402 ( 0.000 -2.191 -8.419) 8.699 3.551 ( 0.000 -5.514 -6.821) 8.771 3.633 ( 0.000 -3.049 -4.889) 5.763 3.684 ( 0.000 -8.232 -0.736) 8.264 3.913 ( 0.000 -3.462 3.148) 4.680 3.933 ( 0.000 3.993 -4.499) 6.015 4.191 ( 0.000 -6.284 -2.097) 6.624 4.228 ( 0.000 27.585 4.029) 27.878 4.655 ( 0.000 8.038 12.561) 14.912 4.679 ( 0.000 9.601 -2.873) 10.022 4.958 ( 0.000 3.678 9.628) 10.306 5.081 ( 0.000 -0.519 15.677) 15.685 5.275 ( 0.000 -3.188 -4.467) 5.489 5.463 ( 0.000 -2.660 7.115) 7.596 5.482 ( 0.000 4.561 5.111) 6.851 5.659 ( 0.000 -11.075 8.912) 14.215 5.706 ( 0.000 1.794 2.240) 2.870 5.714 ( 0.000 5.081 7.636) 9.172 5.899 ( 0.000 18.369 -3.005) 18.613 6.040 ( 0.000 -2.088 4.268) 4.751 6.289 ( 0.000 -2.680 2.882) 3.936 6.325 ( 0.000 14.494 16.545) 21.996 6.392 ( 0.000 -3.246 -2.580) 4.146 6.730 ( 0.000 3.296 -0.433) 3.324 6.827 ( 0.000 -3.038 -12.369) 12.737 7.513 ( 0.000 -10.703 13.706) 17.390 7.961 ( 0.000 4.984 -27.311) 27.762 8.325 ( 0.000 10.610 -18.766) 21.558 8.506 ( 0.000 -4.655 -17.290) 17.905 8.850 ( 0.000 -24.721 5.001) 25.221 9.110 ( 0.000 -6.471 -8.112) 10.377 9.920 ( 0.000 -32.759 -12.888) 35.203 10.440 ( 0.000 7.150 4.902) 8.669 10.441 ( 0.000 0.337 9.813) 9.819 10.499 ( 0.000 1.506 9.066) 9.191 10.882 ( 0.000 4.543 -7.823) 9.047 10.940 ( 0.000 0.355 -2.639) 2.663 11.005 ( 0.000 0.137 -2.927) 2.931 11.152 ( 0.000 -5.031 0.668) 5.075 11.201 ( 0.000 -4.906 -0.115) 4.908 12.950 ( 0.000 16.482 11.959) 20.364 13.050 ( 0.000 4.057 10.522) 11.277 13.295 ( 0.000 0.114 3.122) 3.124 13.989 ( 0.000 -2.279 -8.142) 8.455 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.12 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 6.016 10.676 16.454) 20.516 1.370 ( 4.978 11.628 15.613) 20.094 1.989 ( 3.596 2.851 8.366) 9.542 2.104 ( 2.886 -6.555 1.865) 7.401 2.202 ( 1.459 -3.860 -4.629) 6.201 2.225 ( -3.342 -7.320 -4.692) 9.315 2.333 ( -1.975 -2.048 13.262) 13.564 2.421 ( -2.151 1.596 -8.931) 9.324 2.436 ( 3.604 6.778 -0.234) 7.680 2.621 ( -2.454 -2.069 -0.932) 3.342 2.673 ( 2.963 0.214 -3.142) 4.324 2.798 ( 0.079 10.693 -1.114) 10.751 2.867 ( 1.070 -0.366 -0.225) 1.153 3.058 ( 4.234 1.384 12.098) 12.892 3.128 ( -8.923 -0.976 -2.042) 9.205 3.327 ( 2.905 2.247 -5.980) 7.018 3.432 ( 6.858 3.088 -5.529) 9.335 3.515 ( -7.661 -6.134 -3.230) 10.332 3.608 ( -3.298 -10.738 -0.063) 11.233 3.735 ( 9.066 -0.952 0.545) 9.132 3.922 ( -0.696 6.073 -3.112) 6.859 4.049 ( 5.609 1.800 -3.146) 6.678 4.215 ( 1.243 -3.049 -2.101) 3.906 4.281 ( 5.141 22.680 0.821) 23.270 4.519 ( -4.472 10.434 2.493) 11.623 4.760 ( 0.155 3.415 5.474) 6.454 4.905 ( -1.841 1.554 6.883) 7.292 5.080 ( -1.722 0.576 10.774) 10.926 5.234 ( -0.247 -1.586 -1.656) 2.307 5.390 ( -4.601 2.811 -2.360) 5.886 5.565 ( 6.760 -4.679 3.011) 8.756 5.627 ( -2.895 -0.474 4.883) 5.696 5.692 ( -2.806 3.184 6.696) 7.927 5.746 ( -1.523 4.067 0.750) 4.407 5.862 ( -2.310 15.463 -4.615) 16.301 6.091 ( 7.389 -4.063 11.095) 13.936 6.242 ( -4.288 -2.563 0.146) 4.998 6.335 ( 0.028 8.293 1.608) 8.447 6.534 ( 3.605 -1.349 -0.467) 3.878 6.757 ( 7.092 5.368 7.675) 11.749 6.868 ( 6.927 -2.474 2.206) 7.679 7.301 ( -27.813 -1.646 -21.345) 35.098 7.732 ( -5.317 -0.072 -5.801) 7.870 8.081 ( -19.491 -2.564 -7.608) 21.080 8.733 ( 20.024 2.175 -10.173) 22.565 8.827 ( 2.549 -20.220 8.667) 22.147 9.536 ( 24.791 -8.618 -3.911) 26.536 9.873 ( -4.010 -30.209 -12.604) 32.978 10.340 ( -4.226 5.372 5.687) 8.892 10.497 ( 1.451 -0.727 9.448) 9.586 10.566 ( 5.661 4.182 6.823) 9.802 10.779 ( -6.557 4.438 -6.377) 10.166 10.999 ( 3.049 -0.877 -2.871) 4.279 11.069 ( 4.223 -0.015 -3.122) 5.252 11.153 ( 0.045 -5.124 0.637) 5.164 11.201 ( -0.140 -4.827 0.149) 4.831 12.966 ( 1.397 15.056 9.051) 17.623 12.996 ( -4.819 4.742 6.637) 9.474 13.268 ( -2.610 0.098 1.164) 2.860 13.894 ( -8.837 -1.254 -9.611) 13.117 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 6.503 10.453 10.353) 16.085 1.551 ( 11.609 10.003 7.007) 16.850 1.963 ( -5.748 0.157 -0.454) 5.768 2.092 ( -7.785 -1.940 -5.888) 9.952 2.146 ( -2.140 -7.490 -1.413) 7.917 2.230 ( 5.084 -4.923 3.310) 7.813 2.313 ( -3.206 1.030 -2.208) 4.027 2.419 ( 4.853 3.630 3.176) 6.842 2.532 ( -2.359 0.383 1.447) 2.794 2.611 ( 4.920 -7.759 -1.530) 9.314 2.618 ( -5.381 3.182 -9.623) 11.476 2.905 ( 2.690 -6.547 4.537) 8.407 2.956 ( 9.831 5.571 7.098) 13.344 3.060 ( 4.048 -3.116 -1.236) 5.255 3.198 ( 9.790 4.789 6.137) 12.507 3.294 ( -7.515 -6.366 -6.056) 11.561 3.354 ( 0.903 -2.649 -6.820) 7.372 3.540 ( -2.038 -7.215 3.809) 8.409 3.693 ( 10.151 2.316 3.321) 10.929 3.881 ( 4.550 1.533 2.442) 5.387 3.900 ( -3.097 11.898 -3.669) 12.830 4.015 ( -2.612 11.659 0.355) 11.953 4.263 ( 3.728 -0.828 -3.487) 5.171 4.405 ( 6.312 13.296 -4.500) 15.391 4.487 ( -0.512 11.095 -1.939) 11.275 4.740 ( -0.252 1.713 -2.186) 2.789 4.908 ( 1.235 0.652 3.198) 3.489 5.046 ( -1.423 -4.354 2.165) 5.066 5.263 ( 1.749 5.260 -4.880) 7.385 5.335 ( -1.698 2.152 -9.300) 9.695 5.515 ( -7.570 2.487 2.058) 8.230 5.648 ( 0.005 0.184 0.336) 0.383 5.675 ( 1.934 1.971 -1.759) 3.274 5.690 ( -2.351 7.105 6.037) 9.615 5.808 ( -3.496 6.148 -2.165) 7.396 6.125 ( -7.089 -1.749 -0.765) 7.342 6.190 ( -1.231 4.519 -4.087) 6.216 6.348 ( -8.613 -3.834 2.033) 9.645 6.424 ( 2.694 0.956 -5.577) 6.267 6.678 ( -26.315 8.398 -26.962) 38.600 6.895 ( 3.024 -9.456 9.274) 13.585 7.198 ( -10.345 -2.346 -12.760) 16.593 7.368 ( 11.596 7.324 14.551) 19.996 8.266 ( 23.841 -5.041 24.372) 34.465 8.866 ( 4.940 -25.718 9.704) 27.929 9.052 ( 6.679 8.318 5.635) 12.064 9.687 ( -8.258 -30.260 -7.782) 32.317 9.963 ( 8.634 -7.012 10.546) 15.328 10.297 ( 0.544 6.241 0.407) 6.278 10.562 ( 6.332 -1.134 5.218) 8.283 10.651 ( -5.908 5.296 -5.524) 9.668 10.687 ( 6.295 3.039 5.963) 9.188 11.039 ( 0.637 -1.710 -1.297) 2.239 11.121 ( 0.408 -0.436 -0.762) 0.968 11.155 ( 0.247 -5.211 0.365) 5.230 11.192 ( -0.764 -5.233 0.725) 5.338 12.894 ( -3.797 5.439 -4.617) 8.082 13.005 ( 2.150 12.093 2.302) 12.497 13.202 ( -3.599 0.345 -3.660) 5.145 13.662 ( -13.653 0.506 -14.156) 19.674 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.38 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 8.879 4.607 1.800) 10.164 1.734 ( 4.083 1.525 0.815) 4.434 1.917 ( -3.158 -0.232 -4.782) 5.736 1.945 ( -0.400 3.710 -6.691) 7.661 2.031 ( -7.445 0.080 -5.469) 9.238 2.224 ( 0.184 1.004 2.746) 2.929 2.377 ( -1.804 -0.611 4.304) 4.707 2.407 ( -6.710 6.938 -2.482) 9.966 2.444 ( 2.512 -1.632 3.744) 4.795 2.561 ( -0.730 -10.391 3.769) 11.078 2.773 ( 7.238 -7.969 4.870) 11.816 2.896 ( 0.618 -13.727 3.366) 14.147 3.137 ( 0.404 -8.861 -3.757) 9.633 3.173 ( 9.918 4.604 0.654) 10.954 3.224 ( -1.469 2.592 2.977) 4.212 3.325 ( 1.311 -2.924 1.384) 3.491 3.422 ( 2.808 -1.996 -7.366) 8.131 3.605 ( 12.171 5.747 4.602) 14.225 3.720 ( -10.866 15.003 1.799) 18.611 3.854 ( 4.788 -3.110 1.618) 5.934 3.928 ( 2.816 5.383 1.367) 6.227 4.139 ( 12.552 8.477 -13.484) 20.278 4.363 ( -1.345 5.956 1.893) 6.392 4.421 ( 1.798 5.389 -8.633) 10.335 4.584 ( 8.415 11.954 -8.257) 16.789 4.749 ( 1.508 6.375 -6.952) 9.552 4.912 ( -5.640 -2.847 -11.214) 12.872 5.017 ( 2.436 1.231 -0.975) 2.899 5.168 ( -11.906 7.234 -4.577) 14.664 5.344 ( 0.553 1.240 -12.433) 12.507 5.397 ( -3.299 -1.956 -8.605) 9.421 5.609 ( -4.177 -1.083 3.953) 5.852 5.637 ( -2.995 7.237 1.998) 8.084 5.666 ( -3.831 7.937 -6.490) 10.945 5.753 ( 0.632 0.264 4.682) 4.732 5.937 ( -10.881 -2.274 -1.832) 11.266 6.052 ( -9.920 2.960 -5.659) 11.798 6.179 ( -3.093 0.832 -13.518) 13.892 6.334 ( -5.425 15.986 -12.872) 21.229 6.545 ( 0.271 -0.043 -8.796) 8.801 6.808 ( -7.372 -8.675 -4.492) 12.238 6.933 ( -2.457 -9.813 6.280) 11.907 7.951 ( 30.939 6.867 34.469) 46.824 8.764 ( 16.945 -15.453 17.134) 28.626 8.943 ( 0.173 2.363 27.642) 27.743 9.112 ( 9.180 -10.887 12.671) 19.062 9.475 ( -11.793 -27.452 -6.621) 30.603 9.912 ( -12.895 -6.761 29.713) 33.089 10.355 ( 4.474 6.733 -4.276) 9.145 10.543 ( -4.842 6.032 -4.961) 9.189 10.752 ( 10.593 -1.879 1.977) 10.939 10.821 ( 6.935 1.908 4.921) 8.715 11.019 ( -2.701 -1.252 0.927) 3.118 11.081 ( -4.160 -0.490 2.289) 4.773 11.161 ( 0.289 -5.185 0.200) 5.197 11.177 ( -0.593 -5.619 0.477) 5.670 12.895 ( 4.625 5.547 -17.094) 18.557 13.047 ( 1.995 7.929 -5.028) 9.599 13.135 ( -2.892 1.531 -8.292) 8.915 13.366 ( -15.235 2.287 -19.543) 24.885 ======================= Grid point 139 (50/100) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -7.124 -2.141 -1.864) 7.669 1.753 ( 7.124 -2.141 -1.864) 7.669 1.830 ( -5.353 -0.859 -3.910) 6.684 1.830 ( 5.353 -0.859 -3.910) 6.684 2.147 ( -8.870 13.181 -10.743) 19.179 2.147 ( 8.870 13.181 -10.743) 19.179 2.334 ( -1.502 1.590 7.916) 8.213 2.334 ( 1.502 1.590 7.916) 8.213 2.508 ( -3.521 -12.901 6.781) 14.994 2.508 ( 3.521 -12.901 6.781) 14.994 2.900 ( -3.942 -12.168 4.641) 13.607 2.900 ( 3.942 -12.168 4.641) 13.607 3.137 ( -2.263 -3.962 0.855) 4.642 3.137 ( 2.263 -3.962 0.855) 4.642 3.341 ( -4.483 3.271 1.411) 5.726 3.341 ( 4.483 3.271 1.411) 5.726 3.500 ( -8.478 9.981 -0.662) 13.112 3.500 ( 8.478 9.981 -0.662) 13.112 3.820 ( -5.831 1.075 0.438) 5.945 3.820 ( 5.831 1.075 0.438) 5.945 4.147 ( -14.594 3.638 -4.166) 15.607 4.147 ( 14.594 3.638 -4.166) 15.607 4.422 ( -9.956 9.050 -13.039) 18.736 4.422 ( 9.956 9.050 -13.039) 18.736 4.710 ( -6.381 1.599 -16.883) 18.120 4.710 ( 6.381 1.599 -16.883) 18.120 4.899 ( -12.072 9.146 -4.391) 15.769 4.899 ( 12.072 9.146 -4.391) 15.769 5.184 ( -11.352 1.121 -5.711) 12.757 5.184 ( 11.352 1.121 -5.711) 12.757 5.466 ( -6.511 -3.509 -4.331) 8.571 5.466 ( 6.511 -3.509 -4.331) 8.571 5.629 ( -0.952 6.838 -3.659) 7.814 5.629 ( 0.952 6.838 -3.659) 7.814 5.770 ( -2.731 0.242 4.354) 5.146 5.770 ( 2.731 0.242 4.354) 5.146 6.054 ( -5.976 7.605 -6.333) 11.562 6.054 ( 5.976 7.605 -6.333) 11.562 6.406 ( -8.215 5.037 -19.172) 21.457 6.406 ( 8.215 5.037 -19.172) 21.457 6.854 ( -5.440 -10.721 10.748) 16.127 6.854 ( 5.440 -10.721 10.748) 16.127 8.521 ( -24.462 3.449 31.114) 39.728 8.521 ( 24.462 3.449 31.114) 39.728 9.197 ( -13.022 -20.960 -0.336) 24.678 9.197 ( 13.022 -20.960 -0.336) 24.678 9.523 ( -22.970 -8.127 32.773) 40.838 9.523 ( 22.970 -8.127 32.773) 40.838 10.450 ( -4.635 6.585 -4.938) 9.446 10.450 ( 4.635 6.585 -4.938) 9.446 10.928 ( -6.364 -1.384 2.685) 7.045 10.928 ( 6.364 -1.384 2.685) 7.045 10.965 ( -7.013 0.359 3.689) 7.932 10.965 ( 7.013 0.359 3.689) 7.932 11.168 ( -0.376 -5.428 0.231) 5.446 11.168 ( 0.376 -5.428 0.231) 5.446 13.074 ( -10.231 4.023 -19.675) 22.538 13.074 ( 10.231 4.023 -19.675) 22.538 13.089 ( -2.488 4.258 -11.548) 12.557 13.089 ( 2.488 4.258 -11.548) 12.557 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 0.000 11.052 6.160) 12.653 1.506 ( 0.000 10.399 11.109) 15.217 1.941 ( 0.000 -9.563 -5.247) 10.908 1.944 ( 0.000 -3.162 8.037) 8.636 2.035 ( 0.000 -7.362 -0.863) 7.412 2.102 ( 0.000 -6.381 6.810) 9.333 2.346 ( 0.000 -3.529 -6.084) 7.033 2.427 ( 0.000 -3.288 6.719) 7.480 2.568 ( 0.000 7.885 -6.821) 10.426 2.616 ( 0.000 0.219 -9.520) 9.523 2.855 ( 0.000 12.795 4.269) 13.489 2.857 ( 0.000 8.872 6.460) 10.975 3.032 ( 0.000 6.167 1.342) 6.312 3.124 ( 0.000 3.881 12.480) 13.070 3.231 ( 0.000 -1.329 -8.499) 8.602 3.330 ( 0.000 -4.144 -6.724) 7.899 3.441 ( 0.000 8.488 -1.778) 8.672 3.448 ( 0.000 -4.343 0.275) 4.352 3.554 ( 0.000 -4.063 -6.490) 7.657 3.566 ( 0.000 -1.709 -8.897) 9.059 3.842 ( 0.000 -4.153 4.558) 6.167 3.868 ( 0.000 -7.395 -4.051) 8.432 4.256 ( 0.000 8.419 6.608) 10.702 4.566 ( 0.000 0.137 14.179) 14.180 4.838 ( 0.000 8.221 0.772) 8.258 4.867 ( 0.000 11.570 3.433) 12.069 5.055 ( 0.000 4.318 5.183) 6.746 5.172 ( 0.000 -6.799 0.275) 6.804 5.224 ( 0.000 16.311 5.370) 17.172 5.389 ( 0.000 -4.009 6.778) 7.875 5.519 ( 0.000 -1.678 4.109) 4.438 5.573 ( 0.000 4.336 4.827) 6.489 5.722 ( 0.000 1.369 0.731) 1.552 5.815 ( 0.000 2.179 12.219) 12.412 6.042 ( 0.000 5.951 1.129) 6.057 6.258 ( 0.000 2.083 6.129) 6.473 6.275 ( 0.000 5.361 2.631) 5.972 6.320 ( 0.000 6.671 -9.400) 11.527 6.603 ( 0.000 12.465 9.533) 15.692 6.765 ( 0.000 -1.029 -4.106) 4.233 6.779 ( 0.000 -1.162 6.922) 7.019 7.351 ( 0.000 -6.170 4.162) 7.442 8.083 ( 0.000 7.087 -27.218) 28.125 8.205 ( 0.000 -23.979 11.910) 26.774 8.407 ( 0.000 -4.817 -25.297) 25.751 8.637 ( 0.000 9.786 -13.405) 16.597 8.875 ( 0.000 -21.718 -4.247) 22.129 9.251 ( 0.000 -30.044 -13.026) 32.746 10.449 ( 0.000 0.562 9.803) 9.819 10.472 ( 0.000 -0.451 9.574) 9.585 10.649 ( 0.000 10.195 3.367) 10.737 10.937 ( 0.000 1.306 -4.953) 5.123 10.949 ( 0.000 0.427 -2.963) 2.994 11.010 ( 0.000 -1.586 -2.178) 2.695 11.027 ( 0.000 -5.472 -0.055) 5.472 11.111 ( 0.000 -4.098 -1.139) 4.254 13.143 ( 0.000 5.331 8.830) 10.315 13.286 ( 0.000 -1.415 4.756) 4.962 13.314 ( 0.000 19.460 5.221) 20.148 13.887 ( 0.000 -8.741 -5.501) 10.328 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.12 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 7.494 11.060 5.744) 14.543 1.577 ( 5.733 12.006 9.329) 16.249 1.946 ( 0.830 -8.911 -4.846) 10.177 2.012 ( 5.293 -2.466 8.251) 10.109 2.060 ( 0.096 -6.755 -2.210) 7.108 2.128 ( 3.736 -6.156 4.101) 8.287 2.257 ( -5.050 -1.879 1.270) 5.536 2.417 ( -1.469 -3.961 2.355) 4.836 2.523 ( -6.763 2.260 -9.404) 11.802 2.640 ( -0.092 -3.145 -7.697) 8.315 2.769 ( -3.711 12.752 -1.295) 13.344 2.890 ( 2.359 7.529 7.193) 10.676 3.009 ( -1.755 9.778 -2.649) 10.282 3.090 ( -7.221 -3.176 2.041) 8.148 3.158 ( 1.680 4.491 6.116) 7.771 3.249 ( -2.345 -5.939 -5.792) 8.621 3.350 ( -8.595 -8.225 -3.648) 12.444 3.393 ( -3.661 -9.437 -2.109) 10.339 3.626 ( 11.019 10.231 -1.070) 15.074 3.780 ( 11.470 6.004 2.093) 13.115 3.942 ( 5.434 -4.351 -4.882) 8.502 4.030 ( 12.320 -2.352 -3.673) 13.069 4.235 ( -1.900 7.058 5.070) 8.896 4.605 ( 3.927 -1.071 12.997) 13.619 4.783 ( -4.413 10.077 -0.666) 11.021 4.894 ( 1.907 8.167 4.546) 9.540 4.946 ( -7.957 11.466 6.857) 15.550 5.060 ( -7.502 -2.888 0.896) 8.088 5.257 ( 3.172 2.766 1.834) 4.590 5.422 ( -2.811 0.828 -3.609) 4.649 5.464 ( 4.011 -2.604 2.342) 5.324 5.634 ( 0.758 -0.845 4.108) 4.262 5.770 ( 2.333 6.252 0.794) 6.721 5.842 ( 0.332 2.961 7.929) 8.471 6.024 ( -1.162 5.932 2.132) 6.410 6.212 ( -3.995 3.205 4.510) 6.824 6.257 ( 0.165 13.439 -4.149) 14.066 6.333 ( 1.476 -3.038 -1.932) 3.891 6.670 ( -5.184 -8.251 -4.263) 10.636 6.753 ( 8.111 18.940 8.690) 22.362 6.972 ( 16.127 7.419 14.795) 23.108 7.229 ( -14.578 -5.865 -9.591) 18.409 7.734 ( -22.317 -0.932 -20.445) 30.281 8.018 ( -18.874 -8.527 -12.671) 24.280 8.232 ( 3.351 -21.734 12.505) 25.298 8.940 ( 17.877 3.364 -8.147) 19.932 9.090 ( 4.539 -29.703 -5.138) 30.484 9.447 ( 20.378 -12.443 -8.557) 25.364 10.418 ( -2.085 2.716 7.542) 8.283 10.480 ( 0.842 -1.038 9.144) 9.242 10.688 ( 3.396 8.072 4.080) 9.661 10.845 ( -5.427 2.772 -4.750) 7.727 10.961 ( -0.025 -2.979 -2.413) 3.833 11.023 ( 0.210 -7.962 1.128) 8.044 11.074 ( 3.269 0.529 -2.678) 4.259 11.124 ( 0.872 -2.714 -0.864) 2.979 13.100 ( -3.907 5.875 5.401) 8.886 13.256 ( -2.689 -1.547 2.447) 3.951 13.304 ( -1.093 18.009 3.019) 18.293 13.818 ( -6.604 -7.209 -7.190) 12.136 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 3.575 13.905 6.820) 15.895 1.698 ( 7.633 8.338 3.271) 11.768 1.942 ( -2.902 -4.322 -7.730) 9.319 2.018 ( -1.542 -4.586 0.138) 4.841 2.106 ( -2.434 1.525 3.023) 4.170 2.131 ( 4.162 -2.470 6.846) 8.384 2.318 ( -1.525 -7.933 7.478) 11.008 2.331 ( 1.866 -2.552 -8.035) 8.634 2.450 ( 1.939 -7.866 1.536) 8.246 2.565 ( -5.620 -7.980 -7.059) 12.046 2.679 ( -4.962 7.752 -4.549) 10.267 2.855 ( -8.574 3.221 -7.953) 12.130 3.003 ( 1.552 -0.606 1.281) 2.102 3.086 ( 9.671 7.587 6.203) 13.768 3.184 ( -0.792 -3.263 -2.266) 4.051 3.242 ( 0.496 -3.390 -2.443) 4.208 3.287 ( 2.690 -3.601 -0.683) 4.546 3.423 ( 7.246 -4.253 2.029) 8.643 3.795 ( 5.446 6.049 0.125) 8.141 3.934 ( 2.787 1.862 -1.200) 3.561 4.037 ( 3.350 4.719 -1.711) 6.035 4.187 ( -1.845 2.827 -2.657) 4.295 4.270 ( 12.266 7.891 1.589) 14.671 4.692 ( -4.256 9.294 -3.375) 10.765 4.717 ( 5.862 0.505 7.105) 9.225 4.834 ( -1.276 11.347 1.675) 11.540 4.937 ( -0.937 5.064 -3.694) 6.337 4.962 ( 0.746 -2.236 4.029) 4.668 5.281 ( -1.084 -2.828 -9.829) 10.285 5.384 ( -2.986 1.394 -3.333) 4.687 5.515 ( 0.315 -0.028 4.523) 4.534 5.684 ( 1.952 2.291 0.054) 3.011 5.743 ( 0.571 6.348 -1.107) 6.469 5.831 ( -1.279 4.235 4.225) 6.117 5.961 ( -5.853 4.846 -3.847) 8.517 6.102 ( -6.891 2.959 -0.712) 7.534 6.249 ( -5.931 -2.407 -5.775) 8.621 6.370 ( 1.971 14.659 2.359) 14.978 6.523 ( -9.016 -1.299 -6.981) 11.477 6.754 ( -9.144 1.662 -3.819) 10.048 6.921 ( -5.096 19.394 -6.437) 21.061 7.139 ( -23.813 -2.344 -25.448) 34.931 7.491 ( 23.476 3.330 26.688) 35.700 7.991 ( 8.752 -30.586 6.222) 32.417 8.398 ( 14.809 -12.384 21.051) 28.563 8.985 ( -5.240 -36.230 -4.493) 36.881 9.282 ( 6.580 11.770 6.973) 15.181 9.785 ( 8.735 -11.401 10.268) 17.656 10.407 ( 1.727 4.830 1.356) 5.306 10.532 ( 5.330 -2.055 4.395) 7.207 10.743 ( -4.563 4.530 -4.451) 7.820 10.769 ( 4.468 5.375 4.507) 8.316 10.957 ( -0.354 -6.305 -1.582) 6.510 11.029 ( 0.450 -7.228 0.996) 7.311 11.113 ( 0.495 -0.444 -0.756) 1.007 11.126 ( -1.043 -1.271 0.438) 1.701 13.019 ( -3.021 6.882 -3.874) 8.456 13.194 ( -2.997 -1.487 -3.393) 4.765 13.270 ( -2.189 14.066 -2.415) 14.439 13.637 ( -10.958 -3.804 -11.551) 16.369 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.38 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 0.521 8.839 4.914) 10.127 1.781 ( 1.666 4.501 -0.835) 4.871 1.873 ( -4.325 -1.547 -0.722) 4.650 1.943 ( -5.297 -0.675 -4.668) 7.093 2.134 ( 4.436 2.551 -1.406) 5.307 2.200 ( 3.623 -3.594 9.248) 10.562 2.266 ( -0.058 -6.129 3.951) 7.293 2.350 ( -0.046 -4.359 1.185) 4.518 2.451 ( -6.041 -11.377 -1.246) 12.941 2.551 ( -3.282 3.661 -4.738) 6.828 2.609 ( 4.319 -6.500 -3.225) 8.444 2.713 ( -3.721 0.908 -7.009) 7.987 3.035 ( 2.038 0.135 0.054) 2.043 3.203 ( -3.338 1.169 5.307) 6.378 3.240 ( 4.739 -3.606 0.637) 5.989 3.317 ( 6.155 0.633 3.554) 7.136 3.388 ( 11.022 1.266 -6.560) 12.888 3.631 ( 12.034 -4.816 -1.535) 13.053 3.853 ( -0.203 3.612 -0.066) 3.618 3.888 ( -6.534 3.526 0.020) 7.424 4.090 ( 4.278 8.158 -5.164) 10.561 4.240 ( 8.430 0.950 -15.471) 17.645 4.518 ( 9.077 9.592 5.354) 14.249 4.554 ( -9.411 8.751 -7.290) 14.775 4.806 ( 2.914 4.875 -1.757) 5.945 4.861 ( -4.828 -0.068 -15.009) 15.767 4.902 ( 5.439 7.666 -1.681) 9.549 5.060 ( 6.556 3.684 2.172) 7.827 5.216 ( -5.698 -4.433 -9.411) 11.861 5.278 ( -3.876 -3.563 -4.021) 6.625 5.445 ( -8.400 5.355 -3.648) 10.609 5.645 ( -6.829 2.859 -3.908) 8.371 5.769 ( -2.153 2.162 1.793) 3.539 5.826 ( 1.120 4.471 -0.482) 4.634 5.852 ( -2.300 10.429 -7.346) 12.962 5.959 ( -6.136 8.411 2.614) 10.735 6.085 ( -4.869 -0.884 -3.583) 6.109 6.223 ( -6.615 4.951 -15.730) 17.768 6.548 ( 0.600 -8.379 4.582) 9.568 6.607 ( -2.943 1.745 4.294) 5.491 6.747 ( -10.008 5.697 -21.379) 24.284 6.863 ( -3.663 26.216 -0.751) 26.481 8.011 ( 23.129 -7.057 27.420) 36.559 8.180 ( 8.909 -40.401 3.018) 41.482 8.824 ( 24.342 -8.398 30.222) 39.704 8.880 ( -2.215 -25.203 3.060) 25.484 9.236 ( -10.017 12.242 21.628) 26.795 9.737 ( -12.413 -11.197 27.782) 32.424 10.485 ( 5.174 6.559 -3.910) 9.224 10.658 ( -3.042 5.597 -4.097) 7.574 10.699 ( 8.830 -3.305 -0.055) 9.429 10.868 ( 5.377 2.979 4.263) 7.480 10.938 ( -1.903 -7.243 -0.774) 7.528 11.040 ( 0.549 -5.630 0.921) 5.731 11.079 ( -3.463 -0.705 2.028) 4.075 11.098 ( -1.669 -1.719 0.900) 2.559 13.018 ( 3.526 6.521 -14.096) 15.926 13.154 ( -0.688 -0.008 -9.346) 9.371 13.219 ( -2.799 8.763 -8.281) 12.378 13.396 ( -12.454 0.095 -16.407) 20.598 ======================= Grid point 148 (55/100) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -4.316 2.809 1.932) 5.500 1.756 ( 4.316 2.809 1.932) 5.500 1.844 ( -3.916 1.738 -1.668) 4.598 1.844 ( 3.916 1.738 -1.668) 4.598 2.236 ( -1.949 -6.430 3.462) 7.558 2.236 ( 1.949 -6.430 3.462) 7.558 2.301 ( -5.936 -6.807 3.068) 9.538 2.301 ( 5.936 -6.807 3.068) 9.538 2.425 ( -6.586 6.793 -4.538) 10.493 2.425 ( 6.586 6.793 -4.538) 10.493 2.686 ( -1.327 -7.529 -4.122) 8.685 2.686 ( 1.327 -7.529 -4.122) 8.685 3.107 ( -4.999 2.201 3.958) 6.745 3.107 ( 4.999 2.201 3.958) 6.745 3.325 ( -3.019 -4.110 1.076) 5.212 3.325 ( 3.019 -4.110 1.076) 5.212 3.667 ( -13.173 6.518 -2.421) 14.895 3.667 ( 13.173 6.518 -2.421) 14.895 3.823 ( -5.206 -1.575 0.387) 5.453 3.823 ( 5.206 -1.575 0.387) 5.453 4.280 ( -14.216 8.463 -9.865) 19.262 4.280 ( 14.216 8.463 -9.865) 19.262 4.486 ( -13.121 -1.464 -17.384) 21.829 4.486 ( 13.121 -1.464 -17.384) 21.829 4.821 ( -1.871 8.781 -6.704) 11.205 4.821 ( 1.871 8.781 -6.704) 11.205 5.034 ( -8.223 1.929 -3.122) 9.004 5.034 ( 8.223 1.929 -3.122) 9.004 5.235 ( -10.232 4.240 -2.775) 11.418 5.235 ( 10.232 4.240 -2.775) 11.418 5.396 ( -12.771 -3.853 -4.817) 14.183 5.396 ( 12.771 -3.853 -4.817) 14.183 5.803 ( -3.431 8.744 -4.816) 10.556 5.803 ( 3.431 8.744 -4.816) 10.556 5.856 ( -3.020 9.914 3.592) 10.969 5.856 ( 3.020 9.914 3.592) 10.969 6.123 ( -4.970 0.104 -8.643) 9.971 6.123 ( 4.970 0.104 -8.643) 9.971 6.534 ( -3.340 -10.325 -0.648) 10.871 6.534 ( 3.340 -10.325 -0.648) 10.871 6.768 ( -5.541 22.960 -2.057) 23.709 6.768 ( 5.541 22.960 -2.057) 23.709 8.279 ( -2.683 -34.635 8.404) 35.741 8.279 ( 2.683 -34.635 8.404) 35.741 8.961 ( -12.567 4.139 20.883) 24.722 8.961 ( 12.567 4.139 20.883) 24.722 9.354 ( -23.999 -9.976 33.585) 42.467 9.354 ( 23.999 -9.976 33.585) 42.467 10.582 ( -4.190 7.118 -4.431) 9.373 10.582 ( 4.190 7.118 -4.431) 9.373 10.861 ( -6.054 -5.793 0.039) 8.380 10.861 ( 6.054 -5.793 0.039) 8.380 10.981 ( -5.405 1.200 3.421) 6.508 10.981 ( 5.405 1.200 3.421) 6.508 11.064 ( -1.344 -4.262 1.091) 4.600 11.064 ( 1.344 -4.262 1.091) 4.600 13.158 ( -7.811 3.981 -16.835) 18.981 13.158 ( 7.811 3.981 -16.835) 18.981 13.171 ( -2.782 3.508 -12.963) 13.715 13.171 ( 2.782 3.508 -12.963) 13.715 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 0.000 -3.911 -0.452) 3.937 1.623 ( 0.000 3.911 -0.452) 3.937 1.831 ( 0.000 -3.671 3.807) 5.289 1.831 ( 0.000 3.671 3.807) 5.289 2.002 ( 0.000 -3.247 6.001) 6.823 2.002 ( 0.000 3.247 6.001) 6.823 2.349 ( 0.000 -3.336 2.615) 4.239 2.349 ( 0.000 3.336 2.615) 4.239 2.620 ( 0.000 -0.274 -14.365) 14.367 2.620 ( 0.000 0.274 -14.365) 14.367 3.027 ( 0.000 -7.449 12.377) 14.446 3.027 ( 0.000 7.449 12.377) 14.446 3.091 ( 0.000 -3.741 -2.408) 4.449 3.091 ( 0.000 3.741 -2.408) 4.449 3.237 ( 0.000 -1.622 -1.841) 2.454 3.237 ( 0.000 1.622 -1.841) 2.454 3.454 ( 0.000 -3.273 -6.961) 7.692 3.454 ( 0.000 3.273 -6.961) 7.692 3.590 ( 0.000 -1.007 -2.943) 3.110 3.590 ( 0.000 1.007 -2.943) 3.110 3.767 ( 0.000 -0.321 1.890) 1.917 3.767 ( 0.000 0.321 1.890) 1.917 4.430 ( 0.000 -9.617 12.642) 15.884 4.430 ( 0.000 9.617 12.642) 15.884 5.007 ( 0.000 -8.584 3.002) 9.093 5.007 ( 0.000 8.584 3.002) 9.093 5.041 ( 0.000 -5.481 6.030) 8.148 5.041 ( 0.000 5.481 6.030) 8.148 5.357 ( 0.000 -0.141 0.545) 0.563 5.357 ( 0.000 0.141 0.545) 0.563 5.603 ( 0.000 -3.271 4.543) 5.598 5.603 ( 0.000 3.271 4.543) 5.598 5.770 ( 0.000 -3.787 -1.066) 3.934 5.770 ( 0.000 3.787 -1.066) 3.934 6.179 ( 0.000 -5.524 2.884) 6.231 6.179 ( 0.000 5.524 2.884) 6.231 6.476 ( 0.000 -7.676 4.588) 8.942 6.476 ( 0.000 7.676 4.588) 8.942 6.644 ( 0.000 -3.997 2.818) 4.890 6.644 ( 0.000 3.997 2.818) 4.890 7.036 ( 0.000 -24.154 8.906) 25.743 7.036 ( 0.000 24.154 8.906) 25.743 8.159 ( 0.000 -7.263 -17.414) 18.868 8.159 ( 0.000 7.263 -17.414) 18.868 8.365 ( 0.000 -12.851 -7.415) 14.837 8.365 ( 0.000 12.851 -7.415) 14.837 8.878 ( 0.000 -14.046 -13.686) 19.611 8.878 ( 0.000 14.046 -13.686) 19.611 10.461 ( 0.000 -0.640 9.744) 9.765 10.461 ( 0.000 0.640 9.744) 9.765 10.841 ( 0.000 -9.656 2.141) 9.891 10.841 ( 0.000 9.656 2.141) 9.891 10.954 ( 0.000 -0.131 -3.511) 3.513 10.954 ( 0.000 0.131 -3.511) 3.513 11.048 ( 0.000 -2.454 -2.803) 3.726 11.048 ( 0.000 2.454 -2.803) 3.726 13.235 ( 0.000 -3.895 6.818) 7.852 13.235 ( 0.000 3.895 6.818) 7.852 13.654 ( 0.000 -15.326 -0.735) 15.344 13.654 ( 0.000 15.326 -0.735) 15.344 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.12 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 6.832 -6.887 -2.156) 9.937 1.706 ( 6.832 6.887 -2.156) 9.937 1.887 ( 5.417 -9.364 4.304) 11.643 1.887 ( 5.417 9.364 4.304) 11.643 2.010 ( 0.674 -2.293 5.580) 6.070 2.010 ( 0.674 2.293 5.580) 6.070 2.312 ( -3.153 -5.611 3.009) 7.105 2.312 ( -3.153 5.611 3.009) 7.105 2.576 ( -5.704 -3.144 -10.643) 12.478 2.576 ( -5.704 3.144 -10.643) 12.478 2.961 ( -6.107 -8.657 -0.599) 10.611 2.961 ( -6.107 8.657 -0.599) 10.611 3.089 ( -0.708 -7.361 4.130) 8.470 3.089 ( -0.708 7.361 4.130) 8.470 3.198 ( -0.903 -0.959 0.755) 1.518 3.198 ( -0.903 0.959 0.755) 1.518 3.250 ( -5.759 -3.068 -6.593) 9.276 3.250 ( -5.759 3.068 -6.593) 9.276 3.803 ( 6.842 -7.549 -1.854) 10.356 3.803 ( 6.842 7.549 -1.854) 10.356 3.941 ( 15.046 -6.646 -1.398) 16.508 3.941 ( 15.046 6.646 -1.398) 16.508 4.431 ( 1.018 -12.196 13.237) 18.028 4.431 ( 1.018 12.196 13.237) 18.028 4.934 ( -4.922 -5.923 4.335) 8.837 4.934 ( -4.922 5.923 4.335) 8.837 5.032 ( -2.312 -6.386 2.669) 7.297 5.032 ( -2.312 6.386 2.669) 7.297 5.345 ( -0.591 -5.788 -2.939) 6.518 5.345 ( -0.591 5.788 -2.939) 6.518 5.560 ( 0.487 -6.460 3.165) 7.210 5.560 ( 0.487 6.460 3.165) 7.210 5.853 ( 1.690 -1.292 -0.048) 2.128 5.853 ( 1.690 1.292 -0.048) 2.128 6.156 ( -1.311 -7.723 -0.471) 7.848 6.156 ( -1.311 7.723 -0.471) 7.848 6.415 ( -3.979 -10.915 -0.435) 11.626 6.415 ( -3.979 10.915 -0.435) 11.626 6.771 ( 6.947 -22.668 6.906) 24.694 6.771 ( 6.947 22.668 6.906) 24.694 7.107 ( 8.769 -8.464 11.309) 16.626 7.107 ( 8.769 8.464 11.309) 16.626 7.732 ( -28.595 -6.958 -20.751) 36.010 7.732 ( -28.595 6.958 -20.751) 36.010 8.381 ( 0.189 -26.474 -0.859) 26.489 8.381 ( 0.189 26.474 -0.859) 26.489 9.214 ( 21.940 -12.474 -7.772) 26.408 9.214 ( 21.940 12.474 -7.772) 26.408 10.456 ( -0.179 -1.491 8.606) 8.736 10.456 ( -0.179 1.491 8.606) 8.736 10.852 ( 0.874 -7.964 1.824) 8.217 10.852 ( 0.874 7.964 1.824) 8.217 10.904 ( -3.132 -2.059 -2.881) 4.728 10.904 ( -3.132 2.059 -2.881) 4.728 11.090 ( 2.361 -1.168 -2.052) 3.340 11.090 ( 2.361 1.168 -2.052) 3.340 13.200 ( -3.094 -4.280 3.980) 6.613 13.200 ( -3.094 4.280 3.980) 6.613 13.615 ( -3.840 -13.802 -2.626) 14.565 13.615 ( -3.840 13.802 -2.626) 14.565 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 3.391 -7.005 -4.954) 9.225 1.820 ( 3.391 7.005 -4.954) 9.225 1.976 ( -0.427 -6.316 11.221) 12.884 1.976 ( -0.427 6.316 11.221) 12.884 2.059 ( 5.257 -6.989 1.549) 8.881 2.059 ( 5.257 6.989 1.549) 8.881 2.254 ( -1.204 -7.491 1.114) 7.668 2.254 ( -1.204 7.491 1.114) 7.668 2.423 ( -6.905 -4.972 -6.884) 10.945 2.423 ( -6.905 4.972 -6.884) 10.945 2.817 ( -6.922 -5.719 -6.492) 11.080 2.817 ( -6.922 5.719 -6.492) 11.080 3.084 ( 0.502 -5.484 0.323) 5.517 3.084 ( 0.502 5.484 0.323) 5.517 3.208 ( 3.463 -2.475 1.256) 4.438 3.208 ( 3.463 2.475 1.256) 4.438 3.298 ( 6.599 -8.356 -0.741) 10.673 3.298 ( 6.599 8.356 -0.741) 10.673 3.899 ( 2.988 -4.348 -2.509) 5.842 3.899 ( 2.988 4.348 -2.509) 5.842 4.135 ( 3.457 -4.767 -5.843) 8.296 4.135 ( 3.457 4.767 -5.843) 8.296 4.536 ( 9.433 -14.020 12.826) 21.215 4.536 ( 9.433 14.020 12.826) 21.215 4.862 ( -1.832 -5.008 -4.272) 6.833 4.862 ( -1.832 5.008 -4.272) 6.833 4.978 ( -1.816 -7.042 1.912) 7.519 4.978 ( -1.816 7.042 1.912) 7.519 5.315 ( -3.601 -5.599 -5.274) 8.493 5.315 ( -3.601 5.599 -5.274) 8.493 5.624 ( 4.392 -7.812 3.694) 9.694 5.624 ( 4.392 7.812 3.694) 9.694 5.820 ( -2.908 -2.299 -2.010) 4.217 5.820 ( -2.908 2.299 -2.010) 4.217 6.094 ( -5.622 -7.185 -5.525) 10.666 6.094 ( -5.622 7.185 -5.525) 10.666 6.329 ( -4.972 -12.162 1.204) 13.194 6.329 ( -4.972 12.162 1.204) 13.194 6.744 ( -11.630 -12.806 -12.376) 21.270 6.744 ( -11.630 12.806 -12.376) 21.270 7.292 ( -6.137 -18.333 -2.483) 19.492 7.292 ( -6.137 18.333 -2.483) 19.492 7.391 ( 12.035 -11.204 10.579) 19.552 7.391 ( 12.035 11.204 10.579) 19.552 8.427 ( 6.372 -15.817 8.923) 19.246 8.427 ( 6.372 15.817 8.923) 19.246 9.540 ( 7.916 -13.744 8.878) 18.176 9.540 ( 7.916 13.744 8.878) 18.176 10.482 ( 3.654 -3.167 3.008) 5.695 10.482 ( 3.654 3.167 3.008) 5.695 10.836 ( -2.334 -5.127 -2.735) 6.262 10.836 ( -2.334 5.127 -2.735) 6.262 10.892 ( 1.768 -6.503 2.269) 7.111 10.892 ( 1.768 6.503 2.269) 7.111 11.113 ( -0.240 -0.329 -0.249) 0.478 11.113 ( -0.240 0.329 -0.249) 0.478 13.135 ( -2.697 -4.757 -3.410) 6.444 13.135 ( -2.697 4.757 -3.410) 6.444 13.505 ( -6.813 -9.859 -7.304) 14.034 13.505 ( -6.813 9.859 -7.304) 14.034 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -0.961 -1.478 -1.888) 2.583 1.836 ( -0.961 1.478 -1.888) 2.583 1.916 ( -4.478 -3.758 6.661) 8.863 1.916 ( -4.478 3.758 6.661) 8.863 2.111 ( 1.842 -3.551 5.000) 6.403 2.111 ( 1.842 3.551 5.000) 6.403 2.238 ( -2.991 -6.918 -0.803) 7.580 2.238 ( -2.991 6.918 -0.803) 7.580 2.420 ( 6.623 -7.353 -5.289) 11.221 2.420 ( 6.623 7.353 -5.289) 11.221 2.690 ( -6.016 -4.447 -7.257) 10.423 2.690 ( -6.016 4.447 -7.257) 10.423 3.127 ( 3.596 -7.134 1.784) 8.185 3.127 ( 3.596 7.134 1.784) 8.185 3.262 ( -0.125 -4.133 2.598) 4.883 3.262 ( -0.125 4.133 2.598) 4.883 3.498 ( 13.564 -7.569 -2.401) 15.717 3.498 ( 13.564 7.569 -2.401) 15.717 3.907 ( -3.082 -1.287 -1.048) 3.501 3.907 ( -3.082 1.287 -1.048) 3.501 4.203 ( 6.194 -3.993 -13.758) 15.608 4.203 ( 6.194 3.993 -13.758) 15.608 4.648 ( -4.297 -1.043 -2.121) 4.904 4.648 ( -4.297 1.043 -2.121) 4.904 4.850 ( 3.432 -0.571 -3.923) 5.243 4.850 ( 3.432 0.571 -3.923) 5.243 5.030 ( 6.113 -7.480 -1.883) 9.842 5.030 ( 6.113 7.480 -1.883) 9.842 5.198 ( -5.750 -4.539 -2.528) 7.749 5.198 ( -5.750 4.539 -2.528) 7.749 5.590 ( -10.896 -7.632 -4.223) 13.957 5.590 ( -10.896 7.632 -4.223) 13.957 5.820 ( 4.505 -3.248 -0.346) 5.565 5.820 ( 4.505 3.248 -0.346) 5.565 6.006 ( -1.485 -5.455 -5.416) 7.829 6.006 ( -1.485 5.455 -5.416) 7.829 6.218 ( -4.583 -12.705 0.165) 13.508 6.218 ( -4.583 12.705 0.165) 13.508 6.453 ( -13.070 -7.739 -9.795) 18.074 6.453 ( -13.070 7.739 -9.795) 18.074 7.327 ( 6.645 -42.662 -0.689) 43.182 7.327 ( 6.645 42.662 -0.689) 43.182 7.546 ( 0.961 -37.782 4.167) 38.024 7.546 ( 0.961 37.782 4.167) 38.024 8.699 ( 20.077 -3.540 24.936) 32.208 8.699 ( 20.077 3.540 24.936) 32.208 9.495 ( -11.440 -13.673 25.107) 30.793 9.495 ( -11.440 13.673 25.107) 30.793 10.603 ( 7.179 -5.643 -2.431) 9.449 10.603 ( 7.179 5.643 -2.431) 9.449 10.789 ( -2.431 -7.385 -2.755) 8.249 10.789 ( -2.431 7.385 -2.755) 8.249 10.939 ( 2.929 -4.448 2.758) 5.998 10.939 ( 2.929 4.448 2.758) 5.998 11.081 ( -2.839 -0.508 1.576) 3.286 11.081 ( -2.839 0.508 1.576) 3.286 13.120 ( 1.670 -3.694 -11.301) 12.006 13.120 ( 1.670 3.694 -11.301) 12.006 13.353 ( -7.999 -4.766 -12.339) 15.458 13.353 ( -7.999 4.766 -12.339) 15.458 ======================= Grid point 161 (60/100) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -1.565 -3.654 2.935) 4.941 1.839 ( 0.680 -3.586 2.935) 4.683 1.839 ( -0.680 3.586 2.935) 4.683 1.839 ( 1.565 3.654 2.935) 4.941 2.169 ( -3.392 -2.427 1.968) 4.612 2.169 ( 1.758 -1.946 1.968) 3.278 2.169 ( -1.758 1.946 1.968) 3.278 2.169 ( 3.392 2.427 1.968) 4.612 2.565 ( -6.629 -6.679 -5.912) 11.113 2.565 ( 5.814 -6.486 -5.912) 10.527 2.565 ( -5.814 6.486 -5.912) 10.527 2.565 ( 6.629 6.679 -5.912) 11.113 3.210 ( -4.128 -7.059 2.888) 8.672 3.210 ( 4.123 -7.058 2.888) 8.669 3.210 ( -4.123 7.058 2.888) 8.669 3.210 ( 4.128 7.059 2.888) 8.672 3.766 ( -10.903 -4.077 -1.825) 11.783 3.766 ( -10.775 3.990 -1.825) 11.634 3.766 ( 10.775 -3.990 -1.825) 11.634 3.766 ( 10.903 4.077 -1.825) 11.783 4.416 ( -13.966 -5.438 -16.372) 22.196 4.416 ( -12.885 4.724 -16.372) 21.363 4.416 ( 12.885 -4.724 -16.372) 21.363 4.416 ( 13.966 5.438 -16.372) 22.196 4.980 ( -6.061 -6.113 -2.503) 8.964 4.980 ( 0.021 -5.309 -2.503) 5.869 4.980 ( -0.021 5.309 -2.503) 5.869 4.980 ( 6.061 6.113 -2.503) 8.964 5.318 ( -13.361 -4.192 -2.381) 14.205 5.318 ( -12.945 3.852 -2.381) 13.715 5.318 ( 12.945 -3.852 -2.381) 13.715 5.318 ( 13.361 4.192 -2.381) 14.205 5.937 ( -5.789 -4.599 -3.455) 8.161 5.937 ( 3.607 -4.003 -3.455) 6.401 5.937 ( -3.607 4.003 -3.455) 6.401 5.937 ( 5.789 4.599 -3.455) 8.161 6.247 ( -6.032 -14.383 -1.518) 15.670 6.247 ( 4.338 -14.229 -1.518) 14.953 6.247 ( -4.338 14.229 -1.518) 14.953 6.247 ( 6.032 14.383 -1.518) 15.670 7.473 ( -6.698 -43.845 -0.738) 44.360 7.473 ( 6.698 -43.845 -0.738) 44.360 7.473 ( -6.698 43.845 -0.738) 44.360 7.473 ( 6.698 43.845 -0.738) 44.360 9.144 ( -21.725 -11.466 30.512) 39.172 9.144 ( 7.367 -5.201 30.512) 31.817 9.144 ( -7.367 5.201 30.512) 31.817 9.144 ( 21.725 11.466 30.512) 39.172 10.724 ( -4.407 -7.665 -2.948) 9.320 10.724 ( 4.334 -7.655 -2.948) 9.277 10.724 ( -4.334 7.655 -2.948) 9.277 10.724 ( 4.407 7.665 -2.948) 9.320 11.010 ( -3.853 -1.890 2.680) 5.060 11.010 ( -0.755 0.033 2.680) 2.784 11.010 ( 0.755 -0.033 2.680) 2.784 11.010 ( 3.853 1.890 2.680) 5.060 13.203 ( -6.284 -0.338 -14.587) 15.886 13.203 ( -6.276 0.301 -14.587) 15.882 13.203 ( 6.276 -0.301 -14.587) 15.882 13.203 ( 6.284 0.338 -14.587) 15.886 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 0.000 0.000 21.474) 21.474 1.645 ( 0.000 0.000 14.411) 14.411 1.953 ( 0.000 0.000 -1.007) 1.007 2.116 ( 0.000 0.000 -0.740) 0.740 2.148 ( 0.000 0.000 -8.697) 8.697 2.196 ( 0.000 0.000 -1.088) 1.088 2.256 ( 0.000 0.000 -13.300) 13.300 2.365 ( 0.000 0.000 -9.922) 9.922 2.476 ( 0.000 0.000 1.116) 1.116 2.558 ( 0.000 0.000 2.794) 2.794 2.715 ( 0.000 0.000 3.044) 3.044 2.765 ( 0.000 0.000 -2.968) 2.968 2.918 ( 0.000 0.000 7.699) 7.699 2.999 ( 0.000 0.000 5.378) 5.378 3.198 ( 0.000 0.000 -11.231) 11.231 3.309 ( 0.000 0.000 11.847) 11.847 3.326 ( 0.000 0.000 -6.092) 6.092 3.562 ( 0.000 0.000 8.159) 8.159 3.617 ( 0.000 0.000 -1.249) 1.249 3.787 ( 0.000 0.000 -4.836) 4.836 3.848 ( 0.000 0.000 12.160) 12.160 4.025 ( 0.000 0.000 7.977) 7.977 4.025 ( 0.000 0.000 3.576) 3.576 4.271 ( 0.000 0.000 -6.001) 6.001 4.321 ( 0.000 0.000 -6.218) 6.218 4.887 ( 0.000 0.000 14.738) 14.738 4.999 ( 0.000 0.000 -19.702) 19.702 5.231 ( 0.000 0.000 14.530) 14.530 5.393 ( 0.000 0.000 -8.624) 8.624 5.409 ( 0.000 0.000 9.101) 9.101 5.587 ( 0.000 0.000 2.286) 2.286 5.664 ( 0.000 0.000 9.883) 9.883 5.749 ( 0.000 0.000 3.862) 3.862 5.812 ( 0.000 0.000 -8.322) 8.322 5.927 ( 0.000 0.000 7.128) 7.128 6.141 ( 0.000 0.000 -1.753) 1.753 6.397 ( 0.000 0.000 3.425) 3.425 6.463 ( 0.000 0.000 7.754) 7.754 6.572 ( 0.000 0.000 23.422) 23.422 6.690 ( 0.000 0.000 -2.307) 2.307 6.803 ( 0.000 0.000 12.378) 12.378 7.328 ( 0.000 0.000 -26.966) 26.966 7.740 ( 0.000 0.000 -23.989) 23.989 7.765 ( 0.000 0.000 -15.195) 15.195 8.261 ( 0.000 0.000 5.667) 5.667 8.927 ( 0.000 0.000 -15.023) 15.023 9.323 ( 0.000 0.000 12.672) 12.672 9.963 ( 0.000 0.000 -17.086) 17.086 10.436 ( 0.000 0.000 4.339) 4.339 10.613 ( 0.000 0.000 3.902) 3.902 10.652 ( 0.000 0.000 -2.264) 2.264 10.681 ( 0.000 0.000 8.148) 8.148 10.871 ( 0.000 0.000 -4.009) 4.009 10.932 ( 0.000 0.000 -4.283) 4.283 11.214 ( 0.000 0.000 0.627) 0.627 11.244 ( 0.000 0.000 -0.797) 0.797 13.066 ( 0.000 0.000 12.086) 12.086 13.265 ( 0.000 0.000 13.473) 13.473 13.317 ( 0.000 0.000 -0.586) 0.586 13.800 ( 0.000 0.000 -11.461) 11.461 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 2.663 0.000 18.471) 18.662 1.623 ( -2.514 0.000 15.299) 15.504 2.039 ( 6.258 0.000 -5.212) 8.144 2.134 ( -1.321 0.000 -6.198) 6.338 2.182 ( 6.088 0.000 0.468) 6.106 2.197 ( -5.248 0.000 -11.636) 12.764 2.281 ( 6.995 0.000 -1.133) 7.086 2.291 ( -8.196 0.000 -2.376) 8.534 2.458 ( -6.999 0.000 4.591) 8.371 2.535 ( 5.364 0.000 -5.600) 7.755 2.686 ( -5.800 0.000 2.236) 6.216 2.748 ( 3.328 0.000 0.161) 3.331 2.817 ( 5.124 0.000 -0.564) 5.155 3.038 ( -5.295 0.000 -10.072) 11.379 3.321 ( 1.167 0.000 11.756) 11.814 3.324 ( 12.487 0.000 5.435) 13.619 3.405 ( 0.089 0.000 1.540) 1.543 3.561 ( -2.849 0.000 0.594) 2.910 3.717 ( 12.689 0.000 -0.870) 12.718 3.765 ( -2.041 0.000 -2.380) 3.135 3.849 ( 1.532 0.000 15.685) 15.760 4.032 ( 0.510 0.000 6.753) 6.772 4.099 ( 5.783 0.000 1.349) 5.938 4.276 ( -4.717 0.000 -3.099) 5.644 4.318 ( 3.806 0.000 -7.210) 8.153 4.747 ( -12.060 0.000 9.710) 15.483 5.000 ( -0.290 0.000 -19.255) 19.258 5.143 ( -6.723 0.000 13.071) 14.698 5.275 ( -11.327 0.000 -8.658) 14.257 5.353 ( -4.853 0.000 10.110) 11.214 5.628 ( -2.357 0.000 7.250) 7.624 5.634 ( -0.847 0.000 -1.080) 1.372 5.703 ( -6.493 0.000 -7.256) 9.737 5.748 ( -0.092 0.000 4.743) 4.744 5.837 ( -4.819 0.000 8.278) 9.578 6.142 ( -9.767 0.000 -2.233) 10.019 6.199 ( 1.496 0.000 -9.273) 9.393 6.411 ( -6.249 0.000 9.769) 11.597 6.601 ( -2.500 0.000 5.665) 6.192 6.636 ( -30.515 0.000 -25.308) 39.644 6.925 ( 7.949 0.000 1.277) 8.051 7.198 ( 28.692 0.000 26.594) 39.122 7.430 ( -27.575 0.000 -20.549) 34.390 8.303 ( 33.002 0.000 -22.272) 39.814 8.399 ( 18.537 0.000 23.934) 30.273 9.275 ( 8.279 0.000 3.611) 9.032 9.404 ( 23.235 0.000 -9.236) 25.003 9.912 ( -4.875 0.000 -15.943) 16.672 10.376 ( -4.779 0.000 5.063) 6.963 10.574 ( -4.916 0.000 -5.388) 7.294 10.684 ( 4.510 0.000 7.286) 8.569 10.706 ( 2.393 0.000 9.047) 9.359 10.928 ( 4.236 0.000 -4.409) 6.114 10.987 ( 4.569 0.000 -4.887) 6.691 11.215 ( 0.164 0.000 0.632) 0.653 11.247 ( 0.223 0.000 -0.801) 0.831 13.039 ( -2.646 0.000 9.932) 10.278 13.140 ( -11.986 0.000 11.463) 16.585 13.261 ( -5.372 0.000 -1.383) 5.547 13.669 ( -12.549 0.000 -12.515) 17.723 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -3.792 0.000 11.431) 12.043 1.635 ( 3.525 0.000 10.698) 11.263 2.020 ( -7.128 0.000 0.190) 7.130 2.054 ( -8.157 0.000 -10.961) 13.663 2.057 ( -8.310 0.000 -7.264) 11.037 2.141 ( -5.987 0.000 -2.662) 6.552 2.336 ( 7.690 0.000 4.446) 8.883 2.419 ( 5.807 0.000 2.932) 6.505 2.450 ( 7.728 0.000 2.785) 8.214 2.671 ( 6.700 0.000 -9.835) 11.900 2.708 ( 7.309 0.000 -0.249) 7.313 2.840 ( 5.988 0.000 -0.422) 6.003 2.972 ( 9.525 0.000 -1.615) 9.661 3.037 ( 4.604 0.000 -7.370) 8.690 3.309 ( -7.493 0.000 4.760) 8.877 3.355 ( 2.383 0.000 10.513) 10.780 3.388 ( -0.941 0.000 3.544) 3.667 3.655 ( 6.750 0.000 5.099) 8.459 3.709 ( -3.557 0.000 1.464) 3.847 3.824 ( 2.367 0.000 -3.080) 3.884 4.006 ( -5.220 0.000 11.399) 12.538 4.046 ( 9.431 0.000 17.873) 20.209 4.170 ( -2.348 0.000 -3.668) 4.355 4.190 ( 4.250 0.000 -3.013) 5.210 4.363 ( -0.621 0.000 -6.014) 6.046 4.518 ( -9.049 0.000 -5.730) 10.711 4.957 ( -2.584 0.000 -3.594) 4.426 4.961 ( -19.722 0.000 -16.221) 25.536 5.061 ( -1.137 0.000 -7.969) 8.050 5.259 ( -3.214 0.000 8.882) 9.446 5.401 ( -14.478 0.000 -6.370) 15.817 5.574 ( -3.339 0.000 1.769) 3.778 5.709 ( 0.669 0.000 -4.755) 4.802 5.745 ( -0.954 0.000 6.806) 6.872 5.793 ( -0.185 0.000 3.319) 3.324 5.979 ( -12.873 0.000 -10.293) 16.482 6.051 ( -16.182 0.000 -16.099) 22.826 6.149 ( -5.707 0.000 -10.105) 11.605 6.239 ( -9.174 0.000 3.887) 9.964 6.500 ( -14.793 0.000 -5.583) 15.812 6.983 ( -2.845 0.000 0.579) 2.904 7.120 ( 5.070 0.000 1.436) 5.269 7.881 ( 34.798 0.000 31.977) 47.259 8.880 ( 22.859 0.000 -13.135) 26.365 8.885 ( 25.500 0.000 27.963) 37.844 9.343 ( 6.323 0.000 12.147) 13.694 9.766 ( -7.596 0.000 -14.864) 16.692 10.016 ( 28.034 0.000 -11.004) 30.117 10.274 ( -4.785 0.000 4.589) 6.630 10.468 ( -5.244 0.000 -4.719) 7.055 10.768 ( 3.508 0.000 10.960) 11.507 10.789 ( 5.608 0.000 6.453) 8.549 11.003 ( 2.752 0.000 -3.401) 4.375 11.074 ( 3.283 0.000 -4.111) 5.262 11.220 ( 0.321 0.000 0.651) 0.726 11.251 ( 0.178 0.000 -0.619) 0.644 12.820 ( -18.258 0.000 4.324) 18.764 12.968 ( -4.056 0.000 4.229) 5.860 13.118 ( -8.162 0.000 -3.652) 8.942 13.327 ( -20.529 0.000 -16.357) 26.248 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 2.855 0.000 0.921) 3.000 1.699 ( 2.916 0.000 1.673) 3.362 1.884 ( -9.086 0.000 -9.144) 12.891 1.890 ( -7.563 0.000 -8.103) 11.085 1.896 ( -4.632 0.000 1.055) 4.751 1.973 ( -7.864 0.000 1.993) 8.113 2.458 ( 4.290 0.000 8.039) 9.113 2.502 ( 2.402 0.000 7.664) 8.031 2.666 ( 11.806 0.000 2.937) 12.166 2.810 ( 5.508 0.000 -9.554) 11.028 2.843 ( 4.551 0.000 -2.152) 5.035 2.992 ( 8.505 0.000 -0.269) 8.509 3.092 ( -6.457 0.000 -4.142) 7.671 3.136 ( 5.051 0.000 -5.469) 7.444 3.244 ( 7.807 0.000 8.372) 11.447 3.429 ( 5.051 0.000 8.527) 9.911 3.448 ( 8.296 0.000 4.276) 9.333 3.618 ( -5.090 0.000 8.430) 9.847 3.736 ( 1.663 0.000 0.511) 1.740 3.852 ( -6.010 0.000 0.494) 6.030 3.900 ( -1.656 0.000 2.204) 2.757 3.979 ( -4.478 0.000 4.484) 6.337 4.183 ( -0.145 0.000 -6.723) 6.724 4.220 ( -6.255 0.000 -8.561) 10.602 4.364 ( -7.175 0.000 -14.706) 16.363 4.481 ( 13.276 0.000 5.333) 14.307 4.542 ( -17.650 0.000 -21.130) 27.532 4.939 ( -4.050 0.000 -5.710) 7.001 5.005 ( -3.352 0.000 -6.408) 7.232 5.128 ( -7.601 0.000 -9.736) 12.352 5.296 ( 4.969 0.000 2.463) 5.545 5.501 ( -3.257 0.000 -1.259) 3.492 5.592 ( -10.112 0.000 -1.842) 10.279 5.710 ( -7.011 0.000 -11.635) 13.584 5.759 ( 1.269 0.000 5.656) 5.796 5.827 ( 0.833 0.000 -2.408) 2.548 5.932 ( -3.656 0.000 -4.323) 5.662 6.024 ( -6.622 0.000 -3.886) 7.678 6.055 ( -6.560 0.000 1.637) 6.761 6.189 ( -10.111 0.000 -11.752) 15.503 7.075 ( 7.498 0.000 10.479) 12.885 7.215 ( 2.436 0.000 5.443) 5.963 8.534 ( 29.163 0.000 29.003) 41.130 9.159 ( 3.445 0.000 3.617) 4.995 9.219 ( 8.574 0.000 7.371) 11.307 9.553 ( -5.893 0.000 -6.016) 8.421 9.738 ( 23.999 0.000 24.848) 34.545 10.215 ( -0.230 0.000 -0.131) 0.265 10.365 ( -5.021 0.000 -4.822) 6.962 10.421 ( 7.143 0.000 7.549) 10.393 10.864 ( 7.617 0.000 8.249) 11.228 10.902 ( 5.412 0.000 4.808) 7.239 11.030 ( -0.160 0.000 -0.964) 0.977 11.102 ( -0.700 0.000 -0.781) 1.049 11.228 ( 0.507 0.000 0.694) 0.859 11.251 ( -0.305 0.000 0.060) 0.311 12.502 ( -10.091 0.000 -10.830) 14.803 12.886 ( -21.983 0.000 -22.263) 31.287 12.893 ( -2.813 0.000 -2.579) 3.816 12.962 ( -6.591 0.000 -6.384) 9.176 ======================= Grid point 193 (65/100) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -10.115 0.000 -9.752) 14.051 1.667 ( 10.115 0.000 -9.752) 14.051 1.768 ( -4.465 0.000 -4.525) 6.357 1.768 ( 4.465 0.000 -4.525) 6.357 1.878 ( -1.948 0.000 5.301) 5.647 1.878 ( 1.948 0.000 5.301) 5.647 2.514 ( -1.208 0.000 9.643) 9.718 2.514 ( 1.208 0.000 9.643) 9.718 2.861 ( -3.311 0.000 -1.707) 3.726 2.861 ( 3.311 0.000 -1.707) 3.726 2.912 ( -8.751 0.000 -2.034) 8.984 2.912 ( 8.751 0.000 -2.034) 8.984 3.137 ( -4.643 0.000 -4.373) 6.378 3.137 ( 4.643 0.000 -4.373) 6.378 3.494 ( -13.241 0.000 12.145) 17.967 3.494 ( 13.241 0.000 12.145) 17.967 3.529 ( -4.183 0.000 11.810) 12.529 3.529 ( 4.183 0.000 11.810) 12.529 3.709 ( -4.215 0.000 -5.694) 7.084 3.709 ( 4.215 0.000 -5.694) 7.084 3.999 ( -11.536 0.000 -13.487) 17.748 3.999 ( 11.536 0.000 -13.487) 17.748 4.052 ( -7.959 0.000 -6.256) 10.124 4.052 ( 7.959 0.000 -6.256) 10.124 4.350 ( -4.683 0.000 -13.377) 14.173 4.350 ( 4.683 0.000 -13.377) 14.173 4.735 ( -11.689 0.000 -1.035) 11.735 4.735 ( 11.689 0.000 -1.035) 11.735 5.032 ( -3.322 0.000 -7.474) 8.179 5.032 ( 3.322 0.000 -7.474) 8.179 5.472 ( -11.825 0.000 -1.819) 11.964 5.472 ( 11.825 0.000 -1.819) 11.964 5.476 ( -1.633 0.000 -1.916) 2.517 5.476 ( 1.633 0.000 -1.916) 2.517 5.862 ( -7.140 0.000 0.788) 7.183 5.862 ( 7.140 0.000 0.788) 7.183 5.869 ( -2.728 0.000 -1.814) 3.276 5.869 ( 2.728 0.000 -1.814) 3.276 6.061 ( -3.787 0.000 -7.743) 8.620 6.061 ( 3.787 0.000 -7.743) 8.620 7.199 ( -3.929 0.000 9.192) 9.996 7.199 ( 3.929 0.000 9.192) 9.996 9.011 ( -16.984 0.000 20.300) 26.468 9.011 ( 16.984 0.000 20.300) 26.468 9.379 ( -8.513 0.000 -3.383) 9.160 9.379 ( 8.513 0.000 -3.383) 9.160 10.252 ( -20.734 0.000 27.795) 34.677 10.252 ( 20.734 0.000 27.795) 34.677 10.267 ( -4.485 0.000 -4.628) 6.445 10.267 ( 4.485 0.000 -4.628) 6.445 10.994 ( -3.396 0.000 2.118) 4.002 10.994 ( 3.396 0.000 2.118) 4.002 11.034 ( -6.496 0.000 3.302) 7.287 11.034 ( 6.496 0.000 3.302) 7.287 11.240 ( -0.633 0.000 0.638) 0.899 11.240 ( 0.633 0.000 0.638) 0.899 12.519 ( -11.818 0.000 -24.183) 26.916 12.519 ( 11.818 0.000 -24.183) 26.916 12.877 ( -1.608 0.000 -6.764) 6.953 12.877 ( 1.608 0.000 -6.764) 6.953 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 0.000 -1.907 9.879) 10.061 1.640 ( 0.000 -0.627 9.369) 9.390 1.943 ( 0.000 -10.020 -9.078) 13.521 2.029 ( 0.000 1.010 -2.574) 2.765 2.145 ( 0.000 1.332 -5.401) 5.563 2.214 ( 0.000 -1.912 7.618) 7.855 2.279 ( 0.000 -3.923 -10.427) 11.140 2.303 ( 0.000 -3.780 1.625) 4.114 2.557 ( 0.000 10.803 -1.236) 10.874 2.596 ( 0.000 3.736 -1.939) 4.209 2.749 ( 0.000 -2.011 2.681) 3.351 2.798 ( 0.000 3.368 3.281) 4.702 3.012 ( 0.000 8.052 1.193) 8.140 3.021 ( 0.000 7.244 3.854) 8.205 3.184 ( 0.000 -0.736 -6.752) 6.792 3.300 ( 0.000 -1.982 -6.305) 6.609 3.361 ( 0.000 4.504 8.197) 9.353 3.500 ( 0.000 -5.087 4.928) 7.082 3.568 ( 0.000 -4.665 -1.585) 4.927 3.804 ( 0.000 -3.470 9.950) 10.538 3.827 ( 0.000 0.755 3.382) 3.465 3.989 ( 0.000 -0.655 4.583) 4.630 4.191 ( 0.000 4.351 -0.042) 4.352 4.318 ( 0.000 24.295 4.946) 24.794 4.558 ( 0.000 12.519 -7.072) 14.379 4.915 ( 0.000 2.050 12.149) 12.321 5.004 ( 0.000 0.158 -19.099) 19.099 5.171 ( 0.000 -3.323 9.234) 9.814 5.380 ( 0.000 -1.832 10.210) 10.373 5.466 ( 0.000 5.999 -4.975) 7.793 5.549 ( 0.000 -1.454 0.567) 1.560 5.702 ( 0.000 -6.599 -5.568) 8.634 5.830 ( 0.000 3.124 10.252) 10.717 5.903 ( 0.000 11.602 8.055) 14.124 5.967 ( 0.000 13.999 7.309) 15.792 6.063 ( 0.000 -5.931 0.508) 5.952 6.372 ( 0.000 -3.469 2.088) 4.049 6.396 ( 0.000 -5.734 3.155) 6.545 6.676 ( 0.000 5.022 18.873) 19.530 6.679 ( 0.000 0.514 -4.031) 4.064 6.813 ( 0.000 4.292 12.066) 12.806 7.393 ( 0.000 5.850 -25.002) 25.678 7.612 ( 0.000 -8.066 -10.627) 13.342 7.876 ( 0.000 4.902 -25.371) 25.841 8.269 ( 0.000 1.565 3.981) 4.278 8.878 ( 0.000 -5.053 -14.408) 15.269 9.052 ( 0.000 -25.438 12.390) 28.295 9.632 ( 0.000 -29.953 -14.810) 33.415 10.529 ( 0.000 7.854 4.132) 8.875 10.625 ( 0.000 0.458 7.856) 7.869 10.679 ( 0.000 -0.038 8.076) 8.076 10.734 ( 0.000 6.271 -6.180) 8.804 10.874 ( 0.000 0.301 -3.962) 3.973 10.932 ( 0.000 -0.012 -4.319) 4.319 11.166 ( 0.000 -4.716 0.683) 4.765 11.193 ( 0.000 -4.793 -0.574) 4.827 13.171 ( 0.000 9.909 9.073) 13.436 13.292 ( 0.000 2.681 12.709) 12.989 13.339 ( 0.000 1.972 0.641) 2.073 13.795 ( 0.000 -0.880 -10.798) 10.834 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.12 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 4.551 -0.266 8.672) 9.798 1.658 ( 0.766 1.230 10.026) 10.130 1.923 ( -1.933 -9.528 -9.627) 13.682 2.055 ( 1.921 -1.640 -4.384) 5.059 2.195 ( 2.284 -1.578 -6.044) 6.651 2.223 ( -0.536 -1.451 6.858) 7.030 2.286 ( 1.221 -2.536 2.488) 3.756 2.330 ( 3.440 2.265 -6.652) 7.824 2.533 ( -6.429 6.856 1.105) 9.464 2.562 ( 0.571 5.289 -1.870) 5.639 2.636 ( -6.915 -1.782 3.390) 7.904 2.825 ( 1.231 4.258 -0.860) 4.515 2.881 ( 5.930 5.335 2.829) 8.464 3.038 ( -5.439 0.070 -9.999) 11.383 3.251 ( 0.068 -4.480 5.724) 7.269 3.311 ( -1.402 -6.419 -2.248) 6.944 3.416 ( 3.526 5.250 6.593) 9.136 3.516 ( 2.446 -2.487 2.482) 4.281 3.691 ( 9.090 -3.431 -4.911) 10.887 3.824 ( 5.782 1.057 25.746) 26.409 3.842 ( 0.943 2.859 -5.830) 6.562 4.054 ( 4.816 -0.689 2.710) 5.569 4.210 ( 0.862 3.384 0.911) 3.609 4.326 ( 0.866 23.667 3.433) 23.930 4.488 ( -6.388 9.626 -4.691) 12.468 4.849 ( -5.840 6.716 5.638) 10.535 5.013 ( 0.511 1.056 -19.059) 19.095 5.094 ( -6.817 -2.375 8.669) 11.281 5.319 ( -6.502 -0.566 9.105) 11.202 5.345 ( -9.733 2.932 -1.617) 10.293 5.586 ( 2.730 -1.613 -0.608) 3.228 5.654 ( -5.587 -2.816 -7.069) 9.440 5.741 ( -3.891 0.517 7.031) 8.052 5.841 ( -5.156 10.056 6.871) 13.225 5.894 ( -4.615 11.427 7.014) 14.180 6.122 ( 0.783 -2.963 -6.476) 7.165 6.252 ( -5.633 2.750 -4.775) 7.880 6.396 ( -4.072 0.241 5.180) 6.594 6.529 ( -4.868 -2.773 7.117) 9.058 6.705 ( -25.986 5.183 -23.292) 35.280 6.851 ( 4.956 -6.215 0.634) 7.974 7.234 ( 9.379 1.317 10.717) 14.302 7.453 ( -9.492 3.233 -5.937) 11.653 8.263 ( 26.103 -5.423 2.939) 26.822 8.468 ( 23.594 6.956 -1.594) 24.650 9.043 ( 1.313 -23.062 11.305) 25.718 9.321 ( 30.855 -6.322 -16.597) 35.601 9.590 ( -4.085 -29.320 -13.876) 32.694 10.455 ( -5.098 6.416 5.212) 9.712 10.652 ( -4.368 5.108 -4.139) 7.893 10.687 ( 1.863 0.191 6.771) 7.025 10.717 ( 4.107 1.768 7.758) 8.955 10.929 ( 3.680 -0.278 -4.154) 5.557 10.987 ( 4.488 0.159 -4.851) 6.610 11.167 ( 0.027 -4.794 0.704) 4.845 11.195 ( 0.127 -4.735 -0.576) 4.772 13.135 ( -3.841 8.685 7.218) 11.929 13.177 ( -10.665 3.998 10.643) 15.589 13.280 ( -5.593 1.711 -0.262) 5.855 13.673 ( -11.696 0.021 -11.898) 16.684 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.25 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -1.009 6.572 7.281) 9.860 1.681 ( 4.000 0.792 5.308) 6.693 1.867 ( -3.397 -6.509 -6.404) 9.743 2.012 ( -6.331 -2.564 -6.414) 9.370 2.130 ( -7.178 2.610 4.903) 9.076 2.226 ( -0.488 3.977 -2.616) 4.786 2.361 ( -0.300 2.193 -6.788) 7.140 2.374 ( 6.491 -5.938 1.724) 8.965 2.473 ( 1.334 5.091 2.502) 5.828 2.589 ( 2.667 -4.191 -1.950) 5.337 2.637 ( 5.607 -5.280 3.825) 8.600 2.910 ( 6.114 -0.464 -0.019) 6.131 2.999 ( 2.650 0.350 -5.673) 6.271 3.075 ( 8.801 4.033 -3.124) 10.173 3.171 ( -4.539 -8.744 4.528) 10.843 3.278 ( 2.420 -5.662 2.262) 6.560 3.401 ( -1.573 0.962 8.579) 8.775 3.652 ( 3.618 1.401 2.844) 4.810 3.756 ( 2.658 -4.144 1.243) 5.078 3.851 ( 0.610 3.852 -1.756) 4.277 3.970 ( -1.629 -0.278 10.278) 10.410 4.160 ( -4.942 7.068 8.064) 11.807 4.184 ( 8.416 3.591 -0.903) 9.194 4.359 ( 2.557 19.828 -0.904) 20.012 4.392 ( -0.705 6.079 -5.028) 7.920 4.707 ( -7.585 10.873 -2.026) 13.411 4.899 ( -14.498 -3.075 -9.273) 17.483 5.001 ( -1.607 3.889 -6.215) 7.506 5.149 ( -5.307 6.138 -9.210) 12.274 5.229 ( -2.758 -2.414 7.967) 8.770 5.437 ( -13.956 4.004 -7.537) 16.359 5.627 ( 0.308 2.476 -1.325) 2.825 5.698 ( -3.897 -0.833 -4.098) 5.716 5.761 ( -1.110 1.546 6.574) 6.844 5.839 ( -2.099 8.771 6.151) 10.916 5.993 ( -17.624 0.179 -13.310) 22.086 6.083 ( -5.259 1.722 -5.504) 7.805 6.163 ( -7.708 2.138 -10.627) 13.302 6.360 ( -10.604 13.661 -2.781) 17.515 6.480 ( -8.715 -1.126 -1.685) 8.947 6.891 ( -6.122 -8.106 -1.888) 10.332 7.011 ( 4.317 -10.123 1.289) 11.080 7.970 ( 33.305 7.386 30.613) 45.836 8.739 ( 18.249 -16.332 16.443) 29.498 8.986 ( 23.237 7.531 -5.273) 24.989 9.141 ( 12.365 -14.800 15.554) 24.776 9.473 ( -6.868 -26.957 -12.108) 30.339 9.941 ( 27.992 -6.986 -11.653) 31.115 10.355 ( -4.407 6.575 4.527) 9.118 10.546 ( -5.128 5.936 -4.714) 9.152 10.742 ( 3.008 -2.153 10.007) 10.669 10.817 ( 5.247 2.198 6.689) 8.781 10.994 ( 2.450 -1.464 -3.184) 4.276 11.071 ( 3.187 -0.260 -4.039) 5.152 11.167 ( -0.077 -5.104 0.696) 5.152 11.195 ( -0.285 -4.920 -0.366) 4.942 12.877 ( -16.666 5.449 3.891) 17.961 13.049 ( -5.268 7.626 2.006) 9.483 13.133 ( -8.362 1.186 -2.918) 8.936 13.353 ( -19.199 2.228 -15.501) 24.776 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.38 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 1.513 6.964 1.228) 7.231 1.737 ( -0.131 -0.958 -1.287) 1.610 1.826 ( 0.067 -0.330 -3.194) 3.211 1.882 ( -5.442 1.971 -3.777) 6.911 1.989 ( -5.648 4.741 3.928) 8.355 2.107 ( -8.368 12.484 -7.349) 16.730 2.416 ( 4.379 -6.769 1.833) 8.267 2.491 ( 1.475 -1.619 3.510) 4.137 2.536 ( 7.218 -6.872 2.977) 10.402 2.649 ( 2.393 -10.590 2.060) 11.050 2.752 ( 3.181 -9.018 -1.088) 9.624 2.920 ( -6.998 -11.921 -5.610) 14.918 3.057 ( 8.272 -0.416 3.614) 9.036 3.210 ( 5.898 5.177 -0.185) 7.850 3.291 ( 9.928 2.170 4.162) 10.981 3.392 ( 3.719 -0.619 4.207) 5.649 3.414 ( 6.696 -3.698 5.602) 9.482 3.663 ( -0.214 2.240 2.144) 3.108 3.794 ( -0.323 0.309 2.327) 2.370 3.831 ( -4.563 0.933 -5.415) 7.142 3.901 ( -0.040 1.538 -0.141) 1.545 4.012 ( -5.725 2.210 0.354) 6.147 4.204 ( -7.223 3.485 -11.957) 14.397 4.403 ( -5.290 10.757 -9.611) 15.365 4.467 ( -0.663 11.115 -0.542) 11.148 4.528 ( -9.567 5.182 -10.449) 15.085 4.644 ( 4.382 11.918 -2.790) 13.001 5.004 ( 1.690 2.875 -3.079) 4.539 5.038 ( -9.383 6.241 -8.504) 14.118 5.156 ( -7.631 2.610 -9.406) 12.390 5.259 ( 2.982 -2.258 1.396) 3.993 5.561 ( -6.757 0.645 -4.924) 8.386 5.605 ( -4.518 3.723 -2.172) 6.245 5.700 ( -5.615 3.810 -1.522) 6.955 5.767 ( 2.031 1.466 2.000) 3.205 5.915 ( 0.518 3.329 0.284) 3.381 5.964 ( -7.208 4.797 -3.717) 9.423 6.041 ( -1.163 0.501 -3.900) 4.101 6.156 ( -8.889 10.648 -5.105) 14.780 6.247 ( -9.108 9.937 -7.797) 15.572 6.956 ( 7.194 -11.403 10.185) 16.897 7.098 ( 2.130 -11.302 5.100) 12.581 8.599 ( 27.809 4.097 27.857) 39.575 8.941 ( 5.693 -27.646 5.110) 28.685 9.253 ( 1.989 2.946 1.772) 3.972 9.311 ( -5.508 -15.475 -5.364) 17.280 9.640 ( 28.853 -7.796 29.544) 42.026 10.287 ( 1.431 2.479 2.049) 3.521 10.342 ( 4.252 -2.856 3.786) 6.370 10.456 ( -3.633 5.607 -3.094) 7.363 10.827 ( 6.905 -3.537 6.868) 10.361 10.922 ( 5.244 1.542 5.059) 7.448 11.018 ( -0.153 -1.785 -1.025) 2.064 11.099 ( -0.673 -0.271 -0.767) 1.056 11.164 ( -0.075 -5.660 0.185) 5.663 11.181 ( -0.963 -5.920 -0.171) 6.000 12.592 ( -8.825 8.374 -9.597) 15.496 12.939 ( -18.827 4.617 -19.299) 27.354 12.949 ( -4.683 5.026 -4.646) 8.294 12.981 ( -7.259 1.704 -6.986) 10.218 ======================= Grid point 202 (70/100) ======================= q-point: (-0.50 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -5.117 2.730 -4.498) 7.340 1.675 ( 5.117 2.730 -4.498) 7.340 1.826 ( -1.142 0.011 -0.257) 1.171 1.826 ( 1.142 0.011 -0.257) 1.171 1.971 ( -4.121 12.063 -2.693) 13.029 1.971 ( 4.121 12.063 -2.693) 13.029 2.487 ( -2.024 -3.737 5.069) 6.614 2.487 ( 2.024 -3.737 5.069) 6.614 2.656 ( -2.738 -14.133 6.426) 15.764 2.656 ( 2.738 -14.133 6.426) 15.764 2.794 ( -3.960 -9.191 -7.108) 12.276 2.794 ( 3.960 -9.191 -7.108) 12.276 3.220 ( -5.448 1.786 2.169) 6.130 3.220 ( 5.448 1.786 2.169) 6.130 3.440 ( -3.336 -2.066 8.320) 9.199 3.440 ( 3.336 -2.066 8.320) 9.199 3.555 ( -12.486 2.333 2.468) 12.940 3.555 ( 12.486 2.333 2.468) 12.940 3.813 ( -4.207 6.468 -0.944) 7.773 3.813 ( 4.207 6.468 -0.944) 7.773 3.956 ( -8.956 -2.608 -10.774) 14.250 3.956 ( 8.956 -2.608 -10.774) 14.250 4.094 ( -9.416 0.723 -15.732) 18.348 4.094 ( 9.416 0.723 -15.732) 18.348 4.499 ( -1.446 15.494 -4.742) 16.268 4.499 ( 1.446 15.494 -4.742) 16.268 4.820 ( -10.274 7.385 -2.571) 12.911 4.820 ( 10.274 7.385 -2.571) 12.911 5.057 ( -3.488 2.925 -6.680) 8.083 5.057 ( 3.488 2.925 -6.680) 8.083 5.394 ( -8.943 -3.564 -1.841) 9.801 5.394 ( 8.943 -3.564 -1.841) 9.801 5.590 ( -3.026 7.375 -0.421) 7.982 5.590 ( 3.026 7.375 -0.421) 7.982 5.834 ( -3.636 0.703 0.008) 3.703 5.834 ( 3.636 0.703 0.008) 3.703 5.992 ( -4.663 5.515 -0.373) 7.232 5.992 ( 4.663 5.515 -0.373) 7.232 6.111 ( -4.641 9.752 -8.217) 13.571 6.111 ( 4.641 9.752 -8.217) 13.571 7.078 ( -4.006 -11.698 8.887) 15.228 7.078 ( 4.006 -11.698 8.887) 15.228 8.993 ( -6.323 -17.588 10.277) 21.329 8.993 ( 6.323 -17.588 10.277) 21.329 9.207 ( -3.528 -0.844 6.756) 7.669 9.207 ( 3.528 -0.844 6.756) 7.669 10.160 ( -19.382 -7.470 25.063) 32.552 10.160 ( 19.382 -7.470 25.063) 32.552 10.361 ( -4.504 6.557 -2.302) 8.281 10.361 ( 4.504 6.557 -2.302) 8.281 10.974 ( -4.674 -2.887 1.711) 5.755 10.974 ( 4.674 -2.887 1.711) 5.755 11.033 ( -5.444 0.077 3.048) 6.239 11.033 ( 5.444 0.077 3.048) 6.239 11.167 ( -0.360 -6.081 -0.572) 6.118 11.167 ( 0.360 -6.081 -0.572) 6.118 12.608 ( -10.490 8.201 -21.407) 25.210 12.608 ( 10.490 8.201 -21.407) 25.210 12.907 ( -0.588 2.560 -7.411) 7.863 12.907 ( 0.588 2.560 -7.411) 7.863 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 0.000 1.868 -1.146) 2.192 1.612 ( 0.000 -2.578 -3.430) 4.291 1.829 ( 0.000 -1.420 -1.847) 2.330 1.967 ( 0.000 -5.067 -3.219) 6.003 2.079 ( 0.000 -7.287 2.152) 7.598 2.113 ( 0.000 -6.232 -5.545) 8.342 2.244 ( 0.000 0.861 1.658) 1.869 2.276 ( 0.000 0.232 -7.050) 7.053 2.603 ( 0.000 -1.470 4.512) 4.745 2.661 ( 0.000 -3.075 6.308) 7.017 2.869 ( 0.000 14.310 0.085) 14.311 2.883 ( 0.000 6.455 1.380) 6.601 3.111 ( 0.000 0.088 -3.637) 3.638 3.155 ( 0.000 0.300 -8.256) 8.262 3.239 ( 0.000 8.328 5.293) 9.868 3.267 ( 0.000 -1.574 -4.496) 4.764 3.437 ( 0.000 -0.161 -0.692) 0.710 3.441 ( 0.000 -1.878 5.886) 6.178 3.470 ( 0.000 0.968 -2.567) 2.743 3.712 ( 0.000 -6.276 7.010) 9.409 3.844 ( 0.000 2.807 16.946) 17.176 3.975 ( 0.000 -1.224 9.426) 9.505 4.409 ( 0.000 15.437 3.979) 15.941 4.748 ( 0.000 7.501 -5.330) 9.202 4.796 ( 0.000 17.831 -1.405) 17.886 4.914 ( 0.000 -3.391 10.557) 11.088 4.993 ( 0.000 0.956 -14.906) 14.936 5.150 ( 0.000 0.771 3.261) 3.351 5.381 ( 0.000 1.493 6.703) 6.867 5.480 ( 0.000 -3.972 2.858) 4.893 5.580 ( 0.000 -2.986 -0.583) 3.042 5.617 ( 0.000 6.103 -4.714) 7.712 5.795 ( 0.000 -1.718 6.691) 6.908 5.934 ( 0.000 -5.954 1.675) 6.185 6.245 ( 0.000 -5.499 1.061) 5.601 6.247 ( 0.000 7.497 12.045) 14.188 6.287 ( 0.000 9.583 0.209) 9.585 6.367 ( 0.000 15.707 9.954) 18.595 6.694 ( 0.000 0.816 13.131) 13.156 6.791 ( 0.000 13.166 -4.676) 13.971 7.002 ( 0.000 11.904 13.341) 17.880 7.422 ( 0.000 -12.349 -3.177) 12.751 7.511 ( 0.000 5.622 -25.505) 26.117 7.872 ( 0.000 -7.684 -24.124) 25.318 8.334 ( 0.000 1.332 -0.250) 1.356 8.530 ( 0.000 -18.517 6.957) 19.781 8.728 ( 0.000 -11.786 -10.686) 15.909 8.970 ( 0.000 -34.296 -13.307) 36.787 10.634 ( 0.000 0.496 8.007) 8.023 10.644 ( 0.000 1.349 6.743) 6.877 10.724 ( 0.000 7.123 4.349) 8.346 10.836 ( 0.000 4.076 -4.552) 6.110 10.881 ( 0.000 0.304 -3.854) 3.866 10.936 ( 0.000 0.730 -4.348) 4.409 11.046 ( 0.000 -7.448 1.016) 7.517 11.087 ( 0.000 -5.754 -1.134) 5.864 13.339 ( 0.000 3.558 9.380) 10.032 13.375 ( 0.000 1.406 3.600) 3.865 13.408 ( 0.000 11.651 4.038) 12.331 13.748 ( 0.000 -4.460 -8.029) 9.185 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.12 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 4.568 0.699 -2.101) 5.076 1.676 ( 5.174 -1.784 -5.866) 8.023 1.815 ( -1.122 1.255 0.106) 1.687 1.991 ( 1.429 -3.407 -3.384) 5.010 2.119 ( 1.381 -6.458 -5.162) 8.382 2.141 ( 5.819 -6.932 1.628) 9.196 2.274 ( 1.599 1.824 4.103) 4.766 2.327 ( 3.759 -1.018 -5.116) 6.429 2.560 ( -5.723 -1.485 6.449) 8.749 2.622 ( -3.297 -0.144 5.918) 6.776 2.753 ( -8.418 8.377 -0.619) 11.892 2.917 ( -1.526 7.868 0.496) 8.030 3.003 ( -0.918 4.141 -0.645) 4.290 3.036 ( -4.859 -0.329 -10.076) 11.191 3.168 ( -5.728 -3.540 1.765) 6.962 3.186 ( -3.948 -5.101 -2.976) 7.104 3.423 ( -1.362 -2.276 10.074) 10.418 3.570 ( 3.723 -5.101 4.510) 7.760 3.602 ( 9.629 6.213 0.476) 11.470 3.828 ( 4.981 -3.366 -6.055) 8.533 3.917 ( 9.708 5.908 17.929) 21.227 4.036 ( 4.797 -1.133 4.942) 6.980 4.417 ( 0.846 15.880 6.787) 17.290 4.658 ( -6.941 7.996 -6.364) 12.354 4.791 ( -1.381 16.032 -5.218) 16.916 4.902 ( -2.452 -0.638 5.510) 6.064 5.006 ( 1.314 0.243 -7.607) 7.724 5.099 ( -4.822 2.165 4.999) 7.276 5.310 ( -7.751 -0.729 6.879) 10.389 5.393 ( -9.655 0.666 0.236) 9.681 5.518 ( 3.453 -1.642 1.066) 3.969 5.657 ( 0.364 0.843 -4.004) 4.108 5.760 ( -2.009 3.808 1.167) 4.461 5.992 ( 1.153 -5.884 0.830) 6.053 6.056 ( -10.022 7.348 6.291) 13.928 6.169 ( -8.926 2.734 -2.907) 9.778 6.240 ( -5.898 2.746 1.828) 6.758 6.416 ( 6.478 9.351 5.764) 12.752 6.636 ( -9.788 -3.525 0.901) 10.442 6.794 ( -6.537 19.733 -6.546) 21.794 6.886 ( -13.589 10.592 -13.104) 21.646 7.217 ( -12.321 -1.241 -8.502) 15.021 7.526 ( 13.494 1.492 12.901) 18.728 8.016 ( 11.590 -24.459 6.449) 27.823 8.481 ( 12.637 -12.428 11.363) 21.054 8.733 ( 20.685 2.702 -8.126) 22.388 8.941 ( 0.523 -32.325 -9.106) 33.587 9.169 ( 29.611 -9.789 -17.400) 35.713 10.566 ( -4.278 4.548 6.273) 8.851 10.664 ( 0.951 -1.307 8.122) 8.281 10.753 ( -4.669 4.454 -3.672) 7.424 10.782 ( 3.822 4.937 4.775) 7.860 10.904 ( 1.001 -2.415 -3.322) 4.228 10.999 ( 4.287 1.055 -4.372) 6.213 11.048 ( 0.196 -7.078 1.095) 7.165 11.099 ( 1.017 -4.533 -1.436) 4.863 13.243 ( -9.259 3.931 8.233) 12.999 13.309 ( -6.325 0.835 2.427) 6.826 13.353 ( -5.142 11.227 1.757) 12.473 13.648 ( -9.620 -3.145 -9.253) 13.713 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.25 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 5.429 -0.493 -3.046) 6.245 1.758 ( 1.188 -4.665 -8.145) 9.461 1.794 ( 0.091 11.534 1.638) 11.651 1.997 ( -0.893 0.976 -3.344) 3.596 2.178 ( 3.792 -7.124 -4.039) 9.025 2.238 ( -5.195 3.791 7.626) 9.976 2.262 ( 3.240 -2.083 0.610) 3.900 2.361 ( -1.582 -1.891 -2.449) 3.475 2.445 ( 0.180 -10.649 5.628) 12.046 2.593 ( 0.172 0.940 3.457) 3.586 2.612 ( -5.515 3.181 -0.182) 6.369 2.756 ( -9.339 -6.920 -3.950) 12.276 3.065 ( 2.674 4.192 4.126) 6.461 3.086 ( 6.580 0.861 -3.121) 7.333 3.149 ( 6.118 -1.603 -1.126) 6.424 3.195 ( 5.278 0.148 -0.598) 5.313 3.395 ( -1.141 -0.435 12.257) 12.318 3.599 ( 1.245 -6.945 9.184) 11.582 3.753 ( 4.369 3.859 -3.714) 6.912 3.868 ( 0.391 -1.063 -3.136) 3.334 4.001 ( -2.465 2.508 1.939) 4.016 4.128 ( -0.674 -3.184 -1.887) 3.762 4.453 ( -1.207 13.082 -5.107) 14.095 4.563 ( 3.257 12.916 6.948) 15.024 4.684 ( -9.292 2.805 -15.053) 17.911 4.863 ( -0.421 8.468 4.568) 9.631 4.926 ( -9.156 7.209 2.640) 11.949 5.061 ( 1.048 2.444 0.861) 2.796 5.144 ( -6.140 -3.942 2.658) 7.766 5.289 ( -2.262 4.033 -5.780) 7.402 5.506 ( -9.102 2.018 -7.067) 11.698 5.615 ( -3.284 1.288 -7.507) 8.295 5.755 ( 0.455 4.296 2.429) 4.956 5.873 ( -6.598 7.009 0.433) 9.636 5.954 ( -1.597 -2.320 2.235) 3.595 6.000 ( -10.204 1.397 -5.380) 11.620 6.111 ( -4.617 3.628 -5.947) 8.357 6.239 ( -16.453 4.576 -10.180) 19.881 6.554 ( 6.729 8.868 7.393) 13.363 6.721 ( -5.041 -9.654 -4.413) 11.751 6.743 ( -11.473 16.623 -3.818) 20.556 6.890 ( -4.094 15.677 -3.555) 16.588 8.037 ( 25.838 -6.844 22.792) 35.127 8.168 ( 4.128 -39.884 9.700) 41.254 8.866 ( 15.568 -14.659 12.596) 24.818 8.907 ( 12.037 -19.397 9.864) 24.869 9.242 ( 21.442 13.114 -9.785) 26.972 9.761 ( 26.378 -11.529 -11.382) 30.956 10.482 ( -3.714 6.378 5.108) 8.975 10.659 ( -4.040 5.853 -3.631) 7.985 10.686 ( 0.823 -3.686 8.840) 9.613 10.867 ( 4.195 2.790 4.821) 6.973 10.921 ( 0.616 -5.832 -2.043) 6.210 11.053 ( 0.333 -6.122 1.304) 6.268 11.070 ( 2.462 0.349 -3.370) 4.188 11.115 ( 0.266 -2.638 -1.296) 2.951 13.000 ( -13.515 6.534 2.674) 15.248 13.145 ( -9.126 -0.425 -1.156) 9.209 13.214 ( -8.214 8.447 -2.850) 12.122 13.383 ( -15.950 0.180 -12.658) 20.364 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.38 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 1.440 1.885 -0.928) 2.547 1.754 ( 0.736 4.906 -0.517) 4.988 1.816 ( 1.146 4.976 -4.609) 6.879 1.948 ( -4.528 4.534 -0.391) 6.420 2.130 ( -2.187 5.059 3.354) 6.452 2.235 ( -0.387 -9.534 -4.791) 10.677 2.273 ( -0.764 -1.546 -4.197) 4.538 2.354 ( 3.125 -3.487 3.116) 5.624 2.464 ( -2.532 -10.567 1.868) 11.026 2.533 ( -4.154 -0.925 -0.442) 4.279 2.584 ( 1.944 -3.241 2.127) 4.337 2.666 ( -0.806 -10.184 1.584) 10.338 3.110 ( 4.388 5.451 7.300) 10.112 3.278 ( 7.821 1.611 1.363) 8.101 3.306 ( 6.355 -0.396 2.824) 6.966 3.339 ( 7.349 -3.418 3.128) 8.688 3.411 ( 5.277 2.881 5.635) 8.240 3.642 ( 4.097 -5.069 2.941) 7.150 3.798 ( -0.169 1.909 -5.214) 5.555 3.859 ( -1.167 1.161 -4.760) 5.037 3.924 ( -2.825 0.743 -7.032) 7.615 4.017 ( -6.091 -1.694 -5.438) 8.339 4.273 ( -13.762 3.529 -16.898) 22.077 4.413 ( -18.924 -3.212 -21.687) 28.962 4.731 ( 5.364 13.159 8.135) 16.374 4.790 ( 0.622 10.801 2.755) 11.164 4.875 ( 0.764 11.115 -2.029) 11.325 5.026 ( -2.900 0.440 -4.315) 5.217 5.142 ( 3.458 0.274 2.687) 4.388 5.204 ( -6.727 3.160 -6.717) 10.018 5.297 ( -5.608 6.227 -7.561) 11.287 5.502 ( -7.439 -3.484 -8.930) 12.133 5.749 ( -0.912 7.181 -0.577) 7.261 5.798 ( 0.004 2.437 -0.009) 2.437 5.821 ( -6.461 5.478 0.347) 8.478 5.991 ( 0.555 -1.006 -2.708) 2.942 6.011 ( -5.235 7.206 -0.788) 8.941 6.095 ( 1.581 6.194 -0.785) 6.441 6.478 ( -6.517 19.234 -1.550) 20.367 6.621 ( -5.366 14.984 -2.274) 16.078 6.731 ( 5.769 -2.554 7.603) 9.879 6.884 ( 0.076 2.036 1.249) 2.390 8.237 ( 3.845 -43.739 3.791) 44.071 8.361 ( 4.248 -35.063 4.502) 35.606 9.053 ( 16.676 4.719 16.776) 24.121 9.464 ( 28.335 -9.825 29.284) 41.916 9.525 ( 4.988 14.862 4.778) 16.389 10.119 ( 5.914 -13.240 6.329) 15.822 10.443 ( 0.544 7.158 0.437) 7.192 10.580 ( -3.901 7.179 -3.624) 8.938 10.727 ( 4.556 -6.687 4.198) 9.116 10.912 ( -0.915 -8.376 -1.598) 8.576 10.959 ( 4.015 1.413 4.145) 5.941 11.062 ( 0.572 -4.194 1.161) 4.389 11.095 ( -0.028 -0.565 -1.251) 1.373 11.101 ( -1.733 -1.447 0.043) 2.258 12.773 ( -6.883 9.418 -7.675) 13.964 12.982 ( -6.231 -0.721 -6.918) 9.338 13.046 ( -14.127 4.278 -13.964) 20.320 13.048 ( -9.453 4.345 -9.650) 14.190 ======================= Grid point 211 (75/100) ======================= q-point: (-0.50 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -0.962 5.326 -0.330) 5.422 1.758 ( 0.962 5.326 -0.330) 5.422 1.853 ( -3.444 3.646 -0.197) 5.019 1.853 ( 3.444 3.646 -0.197) 5.019 2.155 ( -3.920 2.483 -3.086) 5.573 2.155 ( 3.920 2.483 -3.086) 5.573 2.346 ( -5.107 -9.846 -2.327) 11.333 2.346 ( 5.107 -9.846 -2.327) 11.333 2.456 ( -3.832 -3.984 3.740) 6.674 2.456 ( 3.832 -3.984 3.740) 6.674 2.636 ( -2.327 -6.139 1.767) 6.799 2.636 ( 2.327 -6.139 1.767) 6.799 3.240 ( -6.736 2.452 7.065) 10.064 3.240 ( 6.736 2.452 7.065) 10.064 3.403 ( -2.247 -2.854 5.017) 6.194 3.403 ( 2.247 -2.854 5.017) 6.194 3.628 ( -13.087 4.916 -1.446) 14.054 3.628 ( 13.087 4.916 -1.446) 14.054 3.826 ( -8.231 -4.211 -0.177) 9.247 3.826 ( 8.231 -4.211 -0.177) 9.247 3.962 ( -11.290 2.833 -16.676) 20.337 3.962 ( 11.290 2.833 -16.676) 20.337 4.071 ( -10.318 -2.418 -18.793) 21.575 4.071 ( 10.318 -2.418 -18.793) 21.575 4.796 ( -3.111 11.657 0.980) 12.105 4.796 ( 3.111 11.657 0.980) 12.105 4.933 ( -5.469 2.844 -4.796) 7.811 4.933 ( 5.469 2.844 -4.796) 7.811 5.163 ( -1.901 7.456 -4.851) 9.096 5.163 ( 1.901 7.456 -4.851) 9.096 5.336 ( -8.129 -2.644 -0.949) 8.601 5.336 ( 8.129 -2.644 -0.949) 8.601 5.741 ( -1.616 7.139 -0.151) 7.321 5.741 ( 1.616 7.139 -0.151) 7.321 5.869 ( -5.543 1.313 -3.710) 6.798 5.869 ( 5.543 1.313 -3.710) 6.798 6.075 ( -3.744 8.163 3.622) 9.683 6.075 ( 3.744 8.163 3.622) 9.683 6.487 ( -5.859 19.650 -2.983) 20.720 6.487 ( 5.859 19.650 -2.983) 20.720 6.844 ( -4.182 -3.261 5.672) 7.765 6.844 ( 4.182 -3.261 5.672) 7.765 8.327 ( -4.568 -43.718 -0.677) 43.961 8.327 ( 4.568 -43.718 -0.677) 43.961 9.407 ( -14.420 14.598 18.843) 27.859 9.407 ( 14.420 14.598 18.843) 27.859 9.967 ( -18.763 -12.432 24.497) 33.267 9.967 ( 18.763 -12.432 24.497) 33.267 10.498 ( -4.076 7.774 -3.531) 9.461 10.498 ( 4.076 7.774 -3.531) 9.461 10.851 ( -5.450 -9.380 -1.135) 10.907 10.851 ( 5.450 -9.380 -1.135) 10.907 11.040 ( -3.673 0.559 2.330) 4.385 11.040 ( 3.673 0.559 2.330) 4.385 11.081 ( -0.965 -2.360 0.425) 2.585 11.081 ( 0.965 -2.360 0.425) 2.585 12.781 ( -7.779 8.697 -16.553) 20.252 12.781 ( 7.779 8.697 -16.553) 20.252 12.945 ( -1.839 0.624 -9.302) 9.502 12.945 ( 1.839 0.624 -9.302) 9.502 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 0.000 -3.254 -6.768) 7.510 1.551 ( 0.000 3.254 -6.768) 7.510 1.872 ( 0.000 -4.718 0.604) 4.756 1.872 ( 0.000 4.718 0.604) 4.756 2.015 ( 0.000 -1.762 -2.763) 3.277 2.015 ( 0.000 1.762 -2.763) 3.277 2.271 ( 0.000 -0.934 -4.876) 4.964 2.271 ( 0.000 0.934 -4.876) 4.964 2.605 ( 0.000 -1.968 8.322) 8.551 2.605 ( 0.000 1.968 8.322) 8.551 3.006 ( 0.000 -4.636 -1.398) 4.842 3.006 ( 0.000 4.636 -1.398) 4.842 3.114 ( 0.000 -4.960 -2.541) 5.572 3.114 ( 0.000 4.960 -2.541) 5.572 3.267 ( 0.000 -2.524 -7.751) 8.152 3.267 ( 0.000 2.524 -7.751) 8.152 3.430 ( 0.000 -2.098 8.750) 8.998 3.430 ( 0.000 2.098 8.750) 8.998 3.577 ( 0.000 -7.087 -0.541) 7.107 3.577 ( 0.000 7.087 -0.541) 7.107 3.925 ( 0.000 -4.153 16.260) 16.782 3.925 ( 0.000 4.153 16.260) 16.782 4.706 ( 0.000 -14.059 7.001) 15.706 4.706 ( 0.000 14.059 7.001) 15.706 4.864 ( 0.000 -4.711 -7.344) 8.725 4.864 ( 0.000 4.711 -7.344) 8.725 5.140 ( 0.000 -4.798 0.988) 4.899 5.140 ( 0.000 4.798 0.988) 4.899 5.398 ( 0.000 -2.582 2.819) 3.823 5.398 ( 0.000 2.582 2.819) 3.823 5.634 ( 0.000 -4.495 -2.184) 4.997 5.634 ( 0.000 4.495 -2.184) 4.997 5.831 ( 0.000 -4.648 3.960) 6.107 5.831 ( 0.000 4.648 3.960) 6.107 6.174 ( 0.000 -0.871 -3.535) 3.641 6.174 ( 0.000 0.871 -3.535) 3.641 6.526 ( 0.000 -1.243 12.887) 12.946 6.526 ( 0.000 1.243 12.887) 12.946 6.930 ( 0.000 -16.196 14.366) 21.650 6.930 ( 0.000 16.196 14.366) 21.650 7.178 ( 0.000 -6.322 4.700) 7.877 7.178 ( 0.000 6.322 4.700) 7.877 7.619 ( 0.000 -9.612 -29.185) 30.727 7.619 ( 0.000 9.612 -29.185) 30.727 8.349 ( 0.000 -15.134 0.811) 15.155 8.349 ( 0.000 15.134 0.811) 15.155 8.593 ( 0.000 -11.052 -12.898) 16.985 8.593 ( 0.000 11.052 -12.898) 16.985 10.644 ( 0.000 -0.477 7.877) 7.892 10.644 ( 0.000 0.477 7.877) 7.892 10.876 ( 0.000 -2.510 -1.250) 2.804 10.876 ( 0.000 2.510 -1.250) 2.804 10.887 ( 0.000 -5.189 -0.668) 5.232 10.887 ( 0.000 5.189 -0.668) 5.232 10.989 ( 0.000 -3.962 -2.828) 4.868 10.989 ( 0.000 3.962 -2.828) 4.868 13.381 ( 0.000 -0.976 7.028) 7.095 13.381 ( 0.000 0.976 7.028) 7.095 13.616 ( 0.000 -9.206 -2.995) 9.680 13.616 ( 0.000 9.206 -2.995) 9.680 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.12 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 3.887 -4.207 -7.753) 9.639 1.596 ( 3.887 4.207 -7.753) 9.639 1.930 ( 5.187 -6.371 1.099) 8.289 1.930 ( 5.187 6.371 1.099) 8.289 2.029 ( 1.658 -0.991 -3.358) 3.873 2.029 ( 1.658 0.991 -3.358) 3.873 2.308 ( 2.557 -1.298 -2.473) 3.786 2.308 ( 2.557 1.298 -2.473) 3.786 2.573 ( -4.404 -2.747 9.863) 11.146 2.573 ( -4.404 2.747 9.863) 11.146 2.911 ( -10.814 -7.413 -2.831) 13.413 2.911 ( -10.814 7.413 -2.831) 13.413 3.063 ( -2.755 -1.141 -4.220) 5.168 3.063 ( -2.755 1.141 -4.220) 5.168 3.123 ( -2.258 -1.848 -3.078) 4.241 3.123 ( -2.258 1.848 -3.078) 4.241 3.450 ( 0.525 -5.188 13.095) 14.095 3.450 ( 0.525 5.188 13.095) 14.095 3.736 ( 7.876 -6.081 -4.156) 10.784 3.736 ( 7.876 6.081 -4.156) 10.784 4.002 ( 6.075 -2.828 9.639) 11.740 4.002 ( 6.075 2.828 9.639) 11.740 4.714 ( 0.409 -10.965 0.118) 10.973 4.714 ( 0.409 10.965 0.118) 10.973 4.820 ( -3.818 -3.638 -0.220) 5.278 4.820 ( -3.818 3.638 -0.220) 5.278 5.125 ( -1.933 -2.686 2.107) 3.924 5.125 ( -1.933 2.686 2.107) 3.924 5.320 ( -7.121 -4.315 2.764) 8.774 5.320 ( -7.121 4.315 2.764) 8.774 5.610 ( 1.369 -6.072 -0.630) 6.257 5.610 ( 1.369 6.072 -0.630) 6.257 5.869 ( 0.356 -6.277 -0.855) 6.345 5.869 ( 0.356 6.277 -0.855) 6.345 6.104 ( -6.726 -2.366 -1.468) 7.280 6.104 ( -6.726 2.366 -1.468) 7.280 6.398 ( -6.680 -8.875 2.242) 11.332 6.398 ( -6.680 8.875 2.242) 11.332 6.846 ( -15.340 -11.952 -5.646) 20.250 6.846 ( -15.340 11.952 -5.646) 20.250 7.324 ( 11.511 -13.114 6.882) 18.757 7.324 ( 11.511 13.114 6.882) 18.757 7.441 ( -5.815 -19.089 -2.129) 20.068 7.441 ( -5.815 19.089 -2.129) 20.068 8.427 ( 8.197 -10.616 5.527) 14.506 8.427 ( 8.197 10.616 5.527) 14.506 8.960 ( 28.071 -11.622 -15.666) 34.183 8.960 ( 28.071 11.622 -15.666) 34.183 10.630 ( -1.314 -2.362 7.683) 8.145 10.630 ( -1.314 2.362 7.683) 8.145 10.834 ( -2.788 -3.653 -2.864) 5.415 10.834 ( -2.788 3.653 -2.864) 5.415 10.907 ( 1.601 -6.747 2.269) 7.296 10.907 ( 1.601 6.747 2.269) 7.296 11.034 ( 3.105 -2.365 -3.281) 5.098 11.034 ( 3.105 2.365 -3.281) 5.098 13.300 ( -7.626 -1.825 5.548) 9.606 13.300 ( -7.626 1.825 5.548) 9.606 13.542 ( -7.200 -7.934 -4.415) 11.588 13.542 ( -7.200 7.934 -4.415) 11.588 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.25 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 4.705 -3.006 -6.601) 8.645 1.685 ( 4.705 3.006 -6.601) 8.645 2.007 ( 1.094 -9.151 -4.597) 10.299 2.007 ( 1.094 9.151 -4.597) 10.299 2.103 ( 4.873 -10.777 -0.569) 11.842 2.103 ( 4.873 10.777 -0.569) 11.842 2.306 ( -4.626 -0.872 2.871) 5.514 2.306 ( -4.626 0.872 2.871) 5.514 2.446 ( -4.044 -8.630 8.751) 12.939 2.446 ( -4.044 8.630 8.751) 12.939 2.704 ( -8.054 -3.031 -3.629) 9.339 2.704 ( -8.054 3.031 -3.629) 9.339 3.099 ( 6.940 -1.971 -1.626) 7.395 3.099 ( 6.940 1.971 -1.626) 7.395 3.172 ( 4.156 -4.339 0.784) 6.059 3.172 ( 4.156 4.339 0.784) 6.059 3.457 ( 1.042 -6.809 11.632) 13.519 3.457 ( 1.042 6.809 11.632) 13.519 3.825 ( 1.730 -3.240 -4.084) 5.492 3.825 ( 1.730 3.240 -4.084) 5.492 4.061 ( -1.732 -3.583 -0.445) 4.005 4.061 ( -1.732 3.583 -0.445) 4.005 4.617 ( -9.976 -6.132 -17.963) 21.443 4.617 ( -9.976 6.132 -17.963) 21.443 4.829 ( 4.401 -10.358 14.083) 18.027 4.829 ( 4.401 10.358 14.083) 18.027 5.041 ( -4.946 -3.815 4.381) 7.629 5.041 ( -4.946 3.815 4.381) 7.629 5.226 ( -2.496 -8.570 -2.963) 9.405 5.226 ( -2.496 8.570 -2.963) 9.405 5.601 ( -6.392 -4.851 -9.195) 12.203 5.601 ( -6.392 4.851 -9.195) 12.203 5.845 ( -0.171 -5.688 3.700) 6.787 5.845 ( -0.171 5.688 3.700) 6.787 5.969 ( -4.779 -3.492 -2.848) 6.568 5.969 ( -4.779 3.492 -2.848) 6.568 6.242 ( -9.203 -6.390 -8.789) 14.240 6.242 ( -9.203 6.390 -8.789) 14.240 6.577 ( -6.728 -1.503 -1.961) 7.167 6.577 ( -6.728 1.503 -1.961) 7.167 7.317 ( -1.480 -38.917 4.538) 39.209 7.317 ( -1.480 38.917 4.538) 39.209 7.564 ( 4.095 -34.507 2.999) 34.878 7.564 ( 4.095 34.507 2.999) 34.878 8.735 ( 22.352 -4.589 20.244) 30.504 8.735 ( 22.352 4.589 20.244) 30.504 9.512 ( 24.166 -14.087 -10.587) 29.908 9.512 ( 24.166 14.087 -10.587) 29.908 10.596 ( -1.794 -5.412 6.861) 8.921 10.596 ( -1.794 5.412 6.861) 8.921 10.782 ( -2.289 -6.903 -2.628) 7.732 10.782 ( -2.289 6.903 -2.628) 7.732 10.947 ( 2.320 -4.684 3.121) 6.088 10.947 ( 2.320 4.684 3.121) 6.088 11.084 ( 1.551 -1.018 -2.516) 3.126 11.084 ( 1.551 1.018 -2.516) 3.126 13.104 ( -10.793 -3.937 0.879) 11.522 13.104 ( -10.793 3.937 0.879) 11.522 13.343 ( -11.999 -4.532 -8.120) 15.180 13.343 ( -11.999 4.532 -8.120) 15.180 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 4.435 -1.334 -2.493) 5.260 1.778 ( 4.435 1.334 -2.493) 5.260 1.974 ( -4.282 -6.752 -3.124) 8.584 1.974 ( -4.282 6.752 -3.124) 8.584 2.143 ( -0.195 -3.859 -0.963) 3.982 2.143 ( -0.195 3.859 -0.963) 3.982 2.214 ( -2.757 -5.992 1.588) 6.784 2.214 ( -2.757 5.992 1.588) 6.784 2.449 ( 3.004 -5.844 4.916) 8.206 2.449 ( 3.004 5.844 4.916) 8.206 2.592 ( -3.705 -2.618 -1.377) 4.741 2.592 ( -3.705 2.618 -1.377) 4.741 3.231 ( 3.950 -6.168 7.126) 10.219 3.231 ( 3.950 6.168 7.126) 10.219 3.303 ( 8.342 -1.193 1.153) 8.506 3.303 ( 8.342 1.193 1.153) 8.506 3.514 ( 5.454 -7.072 3.863) 9.730 3.514 ( 5.454 7.072 3.863) 9.730 3.844 ( 0.617 -2.251 -5.838) 6.287 3.844 ( 0.617 2.251 -5.838) 6.287 3.965 ( -5.490 -3.136 -7.891) 10.112 3.965 ( -5.490 3.136 -7.891) 10.112 4.343 ( -17.274 -3.793 -19.990) 26.690 4.343 ( -17.274 3.793 -19.990) 26.690 4.879 ( 0.696 -1.728 2.134) 2.833 4.879 ( 0.696 1.728 2.134) 2.833 5.002 ( -0.979 -3.654 0.914) 3.891 5.002 ( -0.979 3.654 0.914) 3.891 5.185 ( 0.492 -4.106 0.141) 4.138 5.185 ( 0.492 4.106 0.141) 4.138 5.424 ( -8.175 -5.503 -10.756) 14.587 5.424 ( -8.175 5.503 -10.756) 14.587 5.817 ( -1.268 -0.570 1.135) 1.795 5.817 ( -1.268 0.570 1.135) 1.795 5.922 ( -3.348 -4.738 -3.461) 6.756 5.922 ( -3.348 4.738 -3.461) 6.756 6.187 ( 5.212 -5.001 1.114) 7.309 6.187 ( 5.212 5.001 1.114) 7.309 6.484 ( -5.058 -6.864 4.649) 9.712 6.484 ( -5.058 6.864 4.649) 9.712 7.337 ( 3.377 -42.504 1.722) 42.673 7.337 ( 3.377 42.504 1.722) 42.673 7.548 ( -4.232 -41.226 -2.682) 41.529 7.548 ( -4.232 41.226 -2.682) 41.529 9.247 ( 26.114 -11.978 26.480) 39.072 9.247 ( 26.114 11.978 26.480) 39.072 9.832 ( 5.243 -16.116 5.564) 17.837 9.832 ( 5.243 16.116 5.564) 17.837 10.585 ( 1.796 -7.642 1.671) 8.026 10.585 ( 1.796 7.642 1.671) 8.026 10.735 ( -2.697 -8.948 -2.826) 9.764 10.735 ( -2.697 8.948 -2.826) 9.764 10.998 ( 2.715 -2.535 2.974) 4.758 10.998 ( 2.715 2.535 2.974) 4.758 11.091 ( -0.851 -0.173 -0.594) 1.052 11.091 ( -0.851 0.173 -0.594) 1.052 12.922 ( -5.814 -5.622 -6.548) 10.406 12.922 ( -5.814 5.622 -6.548) 10.406 13.092 ( -11.938 -0.073 -12.080) 16.984 13.092 ( -11.938 0.073 -12.080) 16.984 ======================= Grid point 224 (80/100) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -4.270 -4.464 -0.122) 6.178 1.871 ( 0.542 -3.929 -0.122) 3.968 1.871 ( -0.542 3.929 -0.122) 3.968 1.871 ( 4.270 4.464 -0.122) 6.178 2.163 ( -1.666 -5.642 -1.066) 5.979 2.163 ( 1.196 -5.612 -1.066) 5.836 2.163 ( -1.196 5.612 -1.066) 5.836 2.163 ( 1.666 5.642 -1.066) 5.979 2.523 ( -3.249 -6.136 1.395) 7.082 2.523 ( 2.499 -6.048 1.395) 6.691 2.523 ( -2.499 6.048 1.395) 6.691 2.523 ( 3.249 6.136 1.395) 7.082 3.322 ( -4.382 -5.160 6.497) 9.383 3.322 ( 4.187 -5.119 6.497) 9.271 3.322 ( -4.187 5.119 6.497) 9.271 3.322 ( 4.382 5.160 6.497) 9.383 3.729 ( -12.133 -5.390 -1.811) 13.399 3.729 ( -10.198 4.272 -1.811) 11.204 3.729 ( 10.198 -4.272 -1.811) 11.204 3.729 ( 12.133 5.390 -1.811) 13.399 4.018 ( -11.333 -2.821 -18.618) 21.978 4.018 ( -10.876 2.330 -18.618) 21.688 4.018 ( 10.876 -2.330 -18.618) 21.688 4.018 ( 11.333 2.821 -18.618) 21.978 4.929 ( -3.914 -3.026 -2.430) 5.512 4.929 ( 0.568 -2.325 -2.430) 3.411 4.929 ( -0.568 2.325 -2.430) 3.411 4.929 ( 3.914 3.026 -2.430) 5.512 5.278 ( -5.969 -3.747 -1.885) 7.295 5.278 ( -1.553 -2.394 -1.885) 3.420 5.278 ( 1.553 2.394 -1.885) 3.420 5.278 ( 5.969 3.747 -1.885) 7.295 5.842 ( -3.336 -3.575 -2.958) 5.715 5.842 ( 3.066 -3.514 -2.958) 5.522 5.842 ( -3.066 3.514 -2.958) 5.522 5.842 ( 3.336 3.575 -2.958) 5.715 6.345 ( -5.492 -17.061 6.230) 18.975 6.345 ( 2.476 -16.884 6.230) 18.166 6.345 ( -2.476 16.884 6.230) 18.166 6.345 ( 5.492 17.061 6.230) 18.975 7.437 ( -5.535 -46.322 -2.118) 46.700 7.437 ( 5.409 -46.318 -2.118) 46.681 7.437 ( -5.409 46.318 -2.118) 46.681 7.437 ( 5.535 46.322 -2.118) 46.700 9.699 ( -16.756 -15.143 21.903) 31.461 9.699 ( 16.683 -15.123 21.903) 31.413 9.699 ( -16.683 15.123 21.903) 31.413 9.699 ( 16.756 15.143 21.903) 31.461 10.663 ( -4.480 -9.471 -3.062) 10.916 10.663 ( 4.444 -9.467 -3.062) 10.897 10.663 ( -4.444 9.467 -3.062) 10.897 10.663 ( 4.480 9.471 -3.062) 10.916 11.054 ( -2.578 -0.927 1.606) 3.175 11.054 ( -2.206 0.643 1.606) 2.803 11.054 ( 2.206 -0.643 1.606) 2.803 11.054 ( 2.578 0.927 1.606) 3.176 12.911 ( -4.837 -4.362 -12.369) 13.979 12.911 ( 4.350 -4.232 -12.369) 13.778 12.911 ( -4.350 4.232 -12.369) 13.778 12.911 ( 4.837 4.362 -12.369) 13.979 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 0.000 0.000 -7.100) 7.100 1.857 ( 0.000 0.000 7.100) 7.100 1.933 ( 0.000 0.000 -16.703) 16.703 1.933 ( 0.000 0.000 16.703) 16.703 2.135 ( 0.000 0.000 -7.332) 7.332 2.135 ( 0.000 0.000 7.332) 7.332 2.157 ( 0.000 0.000 -2.014) 2.014 2.157 ( 0.000 0.000 2.014) 2.014 2.570 ( 0.000 0.000 -3.072) 3.072 2.570 ( 0.000 0.000 3.072) 3.072 2.730 ( 0.000 0.000 -0.384) 0.384 2.730 ( 0.000 0.000 0.384) 0.384 3.018 ( 0.000 0.000 -5.582) 5.582 3.018 ( 0.000 0.000 5.582) 5.582 3.147 ( 0.000 0.000 -8.893) 8.893 3.147 ( 0.000 0.000 8.893) 8.893 3.585 ( 0.000 0.000 -13.302) 13.302 3.585 ( 0.000 0.000 13.302) 13.302 3.607 ( 0.000 0.000 -0.081) 0.081 3.607 ( 0.000 0.000 0.081) 0.081 4.107 ( 0.000 0.000 -3.378) 3.378 4.107 ( 0.000 0.000 3.378) 3.378 4.188 ( 0.000 0.000 -7.382) 7.382 4.188 ( 0.000 0.000 7.382) 7.382 4.460 ( 0.000 0.000 -30.172) 30.172 4.460 ( 0.000 0.000 30.172) 30.172 5.169 ( 0.000 0.000 -12.652) 12.652 5.169 ( 0.000 0.000 12.652) 12.652 5.476 ( 0.000 0.000 -5.897) 5.897 5.476 ( 0.000 0.000 5.897) 5.897 5.627 ( 0.000 0.000 -4.786) 4.786 5.627 ( 0.000 0.000 4.786) 4.786 5.791 ( 0.000 0.000 -0.984) 0.984 5.791 ( 0.000 0.000 0.984) 0.984 6.058 ( 0.000 0.000 -5.650) 5.650 6.058 ( 0.000 0.000 5.650) 5.650 6.601 ( 0.000 0.000 -6.081) 6.081 6.601 ( 0.000 0.000 6.081) 6.081 6.639 ( 0.000 0.000 -18.086) 18.086 6.639 ( 0.000 0.000 18.086) 18.086 7.245 ( 0.000 0.000 -21.888) 21.888 7.245 ( 0.000 0.000 21.888) 21.888 7.256 ( 0.000 0.000 -27.285) 27.285 7.256 ( 0.000 0.000 27.285) 27.285 8.576 ( 0.000 0.000 -18.437) 18.437 8.576 ( 0.000 0.000 18.437) 18.437 9.620 ( 0.000 0.000 -16.046) 16.046 9.620 ( 0.000 0.000 16.046) 16.046 10.526 ( 0.000 0.000 -4.695) 4.695 10.526 ( 0.000 0.000 4.695) 4.695 10.770 ( 0.000 0.000 -5.922) 5.922 10.770 ( 0.000 0.000 5.922) 5.922 10.827 ( 0.000 0.000 -6.123) 6.123 10.827 ( 0.000 0.000 6.123) 6.123 11.228 ( 0.000 0.000 -0.767) 0.767 11.228 ( 0.000 0.000 0.767) 0.767 13.252 ( 0.000 0.000 -6.032) 6.032 13.252 ( 0.000 0.000 6.032) 6.032 13.543 ( 0.000 0.000 -13.413) 13.413 13.543 ( 0.000 0.000 13.413) 13.413 ======================= Grid point 254 (82/100) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -0.236 0.000 -9.856) 9.858 1.872 ( -0.236 0.000 9.856) 9.858 1.911 ( -2.313 0.000 -15.035) 15.212 1.911 ( -2.313 0.000 15.035) 15.212 2.134 ( 0.070 0.000 -6.554) 6.554 2.134 ( 0.070 0.000 6.554) 6.554 2.239 ( 7.638 0.000 -2.988) 8.202 2.239 ( 7.638 0.000 2.988) 8.202 2.535 ( -4.010 0.000 -1.113) 4.161 2.535 ( -4.010 0.000 1.113) 4.161 2.768 ( 3.788 0.000 -2.556) 4.569 2.768 ( 3.788 0.000 2.556) 4.569 2.806 ( -5.822 0.000 -10.448) 11.961 2.806 ( -5.822 0.000 10.448) 11.961 3.383 ( 7.037 0.000 -2.239) 7.384 3.383 ( 7.037 0.000 2.239) 7.384 3.594 ( 0.849 0.000 -12.808) 12.836 3.594 ( 0.849 0.000 12.808) 12.836 3.618 ( 4.583 0.000 -4.726) 6.583 3.618 ( 4.583 0.000 4.726) 6.583 4.168 ( 4.605 0.000 -4.547) 6.471 4.168 ( 4.605 0.000 4.547) 6.471 4.173 ( -1.344 0.000 -6.672) 6.806 4.173 ( -1.344 0.000 6.672) 6.806 4.458 ( 0.569 0.000 -30.827) 30.832 4.458 ( 0.569 0.000 30.827) 30.832 5.021 ( -14.954 0.000 -14.764) 21.014 5.021 ( -14.954 0.000 14.764) 21.014 5.395 ( -7.327 0.000 -9.032) 11.630 5.395 ( -7.327 0.000 9.032) 11.630 5.601 ( -3.342 0.000 -2.594) 4.231 5.601 ( -3.342 0.000 2.594) 4.231 5.787 ( -0.818 0.000 -3.365) 3.463 5.787 ( -0.818 0.000 3.365) 3.463 6.008 ( -3.841 0.000 -8.711) 9.520 6.008 ( -3.841 0.000 8.711) 9.520 6.203 ( -24.976 0.000 -12.592) 27.971 6.203 ( -24.976 0.000 12.592) 27.971 6.604 ( -3.912 0.000 -6.871) 7.906 6.604 ( -3.912 0.000 6.871) 7.906 7.066 ( -9.626 0.000 -13.563) 16.632 7.066 ( -9.626 0.000 13.563) 16.632 7.781 ( 35.718 0.000 -28.091) 45.441 7.781 ( 35.718 0.000 28.091) 45.441 8.911 ( 27.306 0.000 -24.651) 36.787 8.911 ( 27.306 0.000 24.651) 36.787 9.597 ( -1.779 0.000 -14.584) 14.692 9.597 ( -1.779 0.000 14.584) 14.692 10.473 ( -4.409 0.000 -4.614) 6.382 10.473 ( -4.409 0.000 4.614) 6.382 10.822 ( 4.234 0.000 -6.032) 7.370 10.822 ( 4.234 0.000 6.032) 7.370 10.868 ( 3.770 0.000 -6.834) 7.805 10.868 ( 3.770 0.000 6.834) 7.805 11.230 ( 0.193 0.000 -0.792) 0.815 11.230 ( 0.193 0.000 0.792) 0.815 13.195 ( -5.506 0.000 -5.315) 7.652 13.195 ( -5.506 0.000 5.315) 7.652 13.399 ( -13.912 0.000 -13.435) 19.341 13.399 ( -13.912 0.000 13.435) 19.341 ======================= Grid point 256 (83/100) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -7.389 0.000 -12.743) 14.730 1.789 ( -7.389 0.000 12.743) 14.730 1.843 ( -4.164 0.000 -9.916) 10.755 1.843 ( -4.164 0.000 9.916) 10.755 2.104 ( -4.532 0.000 -5.996) 7.516 2.104 ( -4.532 0.000 5.996) 7.516 2.422 ( 9.341 0.000 -3.056) 9.828 2.422 ( 9.341 0.000 3.056) 9.828 2.502 ( 4.031 0.000 -5.719) 6.997 2.502 ( 4.031 0.000 5.719) 6.997 2.839 ( 6.100 0.000 -9.693) 11.453 2.839 ( 6.100 0.000 9.693) 11.453 2.877 ( 6.638 0.000 -4.873) 8.235 2.877 ( 6.638 0.000 4.873) 8.235 3.401 ( -0.516 0.000 -2.621) 2.672 3.401 ( -0.516 0.000 2.621) 2.672 3.614 ( 1.023 0.000 -11.304) 11.350 3.614 ( 1.023 0.000 11.304) 11.350 3.756 ( 4.786 0.000 -3.987) 6.230 3.756 ( 4.786 0.000 3.987) 6.230 4.138 ( -2.195 0.000 -2.900) 3.638 4.138 ( -2.195 0.000 2.900) 3.638 4.207 ( -2.257 0.000 -4.956) 5.446 4.207 ( -2.257 0.000 4.956) 5.446 4.534 ( 7.467 0.000 -25.317) 26.395 4.534 ( 7.467 0.000 25.317) 26.395 4.604 ( -23.852 0.000 -15.112) 28.236 4.604 ( -23.852 0.000 15.112) 28.236 5.194 ( -12.077 0.000 -9.786) 15.544 5.194 ( -12.077 0.000 9.786) 15.544 5.509 ( -4.436 0.000 -11.354) 12.189 5.509 ( -4.436 0.000 11.354) 12.189 5.700 ( -9.184 0.000 -10.253) 13.764 5.700 ( -9.184 0.000 10.253) 13.764 5.888 ( -5.131 0.000 -6.327) 8.146 5.888 ( -5.131 0.000 6.327) 8.146 5.941 ( -2.686 0.000 -8.735) 9.139 5.941 ( -2.686 0.000 8.735) 9.139 6.359 ( -15.806 0.000 -6.558) 17.113 6.359 ( -15.806 0.000 6.558) 17.113 7.080 ( 7.264 0.000 -4.904) 8.764 7.080 ( 7.264 0.000 4.904) 8.764 8.475 ( 31.856 0.000 -25.390) 40.736 8.475 ( 31.856 0.000 25.390) 40.736 9.385 ( 7.658 0.000 -19.256) 20.723 9.385 ( 7.658 0.000 19.256) 20.723 9.690 ( 21.535 0.000 -17.216) 27.570 9.690 ( 21.535 0.000 17.216) 27.570 10.373 ( -5.294 0.000 -4.735) 7.102 10.373 ( -5.294 0.000 4.735) 7.102 10.912 ( 4.370 0.000 -5.398) 6.945 10.912 ( 4.370 0.000 5.398) 6.945 10.958 ( 4.623 0.000 -7.397) 8.722 10.958 ( 4.623 0.000 7.397) 8.722 11.235 ( 0.353 0.000 -0.829) 0.901 11.235 ( 0.353 0.000 0.829) 0.901 13.012 ( -23.637 0.000 -13.502) 27.221 13.012 ( -23.637 0.000 13.502) 27.221 13.046 ( -8.677 0.000 -3.530) 9.367 13.046 ( -8.677 0.000 3.530) 9.367 ======================= Grid point 258 (84/100) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -6.965 0.000 -9.434) 11.727 1.631 ( -6.965 0.000 9.434) 11.727 1.759 ( -3.603 0.000 -4.550) 5.804 1.759 ( -3.603 0.000 4.550) 5.804 2.001 ( -4.087 0.000 -3.326) 5.269 2.001 ( -4.087 0.000 3.326) 5.269 2.579 ( 5.729 0.000 -2.196) 6.136 2.579 ( 5.729 0.000 2.196) 6.136 2.648 ( 7.700 0.000 -2.806) 8.195 2.648 ( 7.700 0.000 2.806) 8.195 2.955 ( 4.248 0.000 -8.316) 9.338 2.955 ( 4.248 0.000 8.316) 9.338 3.004 ( 5.072 0.000 -4.552) 6.815 3.004 ( 5.072 0.000 4.552) 6.815 3.449 ( 5.450 0.000 -8.338) 9.961 3.449 ( 5.450 0.000 8.338) 9.961 3.642 ( 2.248 0.000 -8.261) 8.561 3.642 ( 2.248 0.000 8.261) 8.561 3.779 ( -1.096 0.000 -8.625) 8.695 3.779 ( -1.096 0.000 8.625) 8.695 4.026 ( -11.852 0.000 -8.265) 14.449 4.026 ( -11.852 0.000 8.265) 14.449 4.077 ( -9.890 0.000 -5.113) 11.133 4.077 ( -9.890 0.000 5.113) 11.133 4.237 ( -7.571 0.000 -7.669) 10.776 4.237 ( -7.571 0.000 7.669) 10.776 4.691 ( 5.907 0.000 -14.087) 15.275 4.691 ( 5.907 0.000 14.087) 15.275 4.983 ( -6.759 0.000 -3.291) 7.517 4.983 ( -6.759 0.000 3.291) 7.517 5.456 ( -0.833 0.000 -11.165) 11.196 5.456 ( -0.833 0.000 11.165) 11.196 5.526 ( -6.549 0.000 -3.120) 7.254 5.526 ( -6.549 0.000 3.120) 7.254 5.854 ( -0.356 0.000 -3.286) 3.306 5.854 ( -0.356 0.000 3.286) 3.306 5.889 ( -2.838 0.000 -6.904) 7.465 5.889 ( -2.838 0.000 6.904) 7.465 6.097 ( -8.949 0.000 -1.731) 9.115 6.097 ( -8.949 0.000 1.731) 9.115 7.231 ( 6.279 0.000 -3.872) 7.377 7.231 ( 6.279 0.000 3.872) 7.377 9.013 ( 20.360 0.000 -16.704) 26.335 9.013 ( 20.360 0.000 16.704) 26.335 9.371 ( -2.734 0.000 -8.535) 8.962 9.371 ( -2.734 0.000 8.535) 8.962 10.260 ( 27.011 0.000 -20.101) 33.669 10.260 ( 27.011 0.000 20.101) 33.669 10.268 ( -4.811 0.000 -4.421) 6.534 10.268 ( -4.811 0.000 4.421) 6.534 10.987 ( 2.803 0.000 -3.262) 4.301 10.987 ( 2.803 0.000 3.262) 4.301 11.040 ( 3.443 0.000 -5.979) 6.900 11.040 ( 3.443 0.000 5.979) 6.900 11.243 ( 0.381 0.000 -0.672) 0.773 11.243 ( 0.381 0.000 0.672) 0.773 12.509 ( -23.954 0.000 -11.769) 26.689 12.509 ( -23.954 0.000 11.769) 26.689 12.879 ( -7.014 0.000 -1.559) 7.185 12.879 ( -7.014 0.000 1.559) 7.185 ======================= Grid point 260 (85/100) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 0.000 0.000 0.000) 0.000 1.554 ( 0.000 0.000 0.000) 0.000 1.719 ( 0.000 0.000 0.000) 0.000 1.719 ( 0.000 0.000 0.000) 0.000 1.960 ( 0.000 0.000 -0.000) 0.000 1.960 ( 0.000 0.000 0.000) 0.000 2.639 ( 0.000 0.000 -0.000) 0.000 2.639 ( 0.000 0.000 0.000) 0.000 2.734 ( 0.000 0.000 0.000) 0.000 2.734 ( -0.000 0.000 0.000) 0.000 3.001 ( 0.000 0.000 0.000) 0.000 3.001 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.534 ( -0.000 0.000 -0.000) 0.000 3.534 ( -0.000 0.000 0.000) 0.000 3.698 ( 0.000 0.000 0.000) 0.000 3.698 ( 0.000 0.000 0.000) 0.000 3.782 ( 0.000 0.000 -0.000) 0.000 3.782 ( 0.000 0.000 0.000) 0.000 3.836 ( 0.000 0.000 0.000) 0.000 3.836 ( -0.000 0.000 0.000) 0.000 3.915 ( -0.000 0.000 -0.000) 0.000 3.915 ( 0.000 0.000 0.000) 0.000 4.193 ( 0.000 0.000 0.000) 0.000 4.193 ( 0.000 0.000 0.000) 0.000 4.740 ( 0.000 0.000 0.000) 0.000 4.740 ( 0.000 0.000 0.000) 0.000 4.932 ( 0.000 0.000 0.000) 0.000 4.932 ( 0.000 0.000 0.000) 0.000 5.455 ( 0.000 0.000 -0.000) 0.000 5.455 ( 0.000 0.000 0.000) 0.000 5.457 ( 0.000 0.000 0.000) 0.000 5.457 ( 0.000 0.000 0.000) 0.000 5.846 ( 0.000 0.000 0.000) 0.000 5.846 ( -0.000 0.000 0.000) 0.000 5.851 ( 0.000 0.000 0.000) 0.000 5.851 ( 0.000 0.000 0.000) 0.000 6.013 ( 0.000 0.000 0.000) 0.000 6.013 ( 0.000 0.000 0.000) 0.000 7.298 ( 0.000 0.000 0.000) 0.000 7.298 ( 0.000 0.000 0.000) 0.000 9.232 ( 0.000 0.000 0.000) 0.000 9.232 ( 0.000 0.000 0.000) 0.000 9.340 ( 0.000 0.000 0.000) 0.000 9.340 ( 0.000 0.000 0.000) 0.000 10.210 ( 0.000 0.000 0.000) 0.000 10.210 ( 0.000 0.000 0.000) 0.000 10.576 ( 0.000 0.000 0.000) 0.000 10.576 ( 0.000 0.000 0.000) 0.000 11.017 ( 0.000 0.000 -0.000) 0.000 11.017 ( 0.000 0.000 0.000) 0.000 11.084 ( 0.000 0.000 0.000) 0.000 11.084 ( 0.000 0.000 0.000) 0.000 11.248 ( 0.000 0.000 0.000) 0.000 11.248 ( 0.000 0.000 0.000) 0.000 12.215 ( -0.000 0.000 -0.000) 0.000 12.215 ( 0.000 0.000 0.000) 0.000 12.802 ( 0.000 0.000 0.000) 0.000 12.802 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 270 (86/100) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 0.000 -11.315 -5.583) 12.618 1.642 ( 0.000 -11.315 5.583) 12.618 1.935 ( 0.000 -2.830 -5.784) 6.439 1.935 ( 0.000 -2.830 5.784) 6.439 2.125 ( 0.000 -0.549 -3.093) 3.141 2.125 ( 0.000 -0.549 3.093) 3.141 2.321 ( 0.000 2.006 -1.494) 2.501 2.321 ( 0.000 2.006 1.494) 2.501 2.561 ( 0.000 6.085 -1.594) 6.291 2.561 ( 0.000 6.085 1.594) 6.291 2.796 ( 0.000 4.466 -2.320) 5.033 2.796 ( 0.000 4.466 2.320) 5.033 3.044 ( 0.000 1.870 -2.661) 3.252 3.044 ( 0.000 1.870 2.661) 3.252 3.141 ( 0.000 1.891 -6.310) 6.588 3.141 ( 0.000 1.891 6.310) 6.588 3.520 ( 0.000 -5.881 -1.352) 6.035 3.520 ( 0.000 -5.881 1.352) 6.035 3.628 ( 0.000 1.228 -10.072) 10.147 3.628 ( 0.000 1.228 10.072) 10.147 4.097 ( 0.000 3.784 -4.973) 6.249 4.097 ( 0.000 3.784 4.973) 6.249 4.414 ( 0.000 16.121 -2.822) 16.366 4.414 ( 0.000 16.121 2.822) 16.366 4.474 ( 0.000 2.262 -22.740) 22.852 4.474 ( 0.000 2.262 22.740) 22.852 5.160 ( 0.000 -0.919 -9.903) 9.946 5.160 ( 0.000 -0.919 9.903) 9.946 5.493 ( 0.000 1.827 -4.263) 4.638 5.493 ( 0.000 1.827 4.263) 4.638 5.542 ( 0.000 -4.643 -1.948) 5.036 5.542 ( 0.000 -4.643 1.948) 5.036 5.983 ( 0.000 4.545 -3.094) 5.498 5.983 ( 0.000 4.545 3.094) 5.498 6.048 ( 0.000 10.504 -0.019) 10.504 6.048 ( 0.000 10.504 0.019) 10.504 6.475 ( 0.000 -10.076 -1.757) 10.228 6.475 ( 0.000 -10.076 1.757) 10.228 6.704 ( 0.000 5.159 -15.164) 16.018 6.704 ( 0.000 5.159 15.164) 16.018 7.179 ( 0.000 -3.533 -25.943) 26.182 7.179 ( 0.000 -3.533 25.943) 26.182 7.381 ( 0.000 7.873 -20.710) 22.156 7.381 ( 0.000 7.873 20.710) 22.156 8.544 ( 0.000 -3.246 -17.292) 17.594 8.544 ( 0.000 -3.246 17.292) 17.594 9.330 ( 0.000 -27.016 -14.479) 30.651 9.330 ( 0.000 -27.016 14.479) 30.651 10.617 ( 0.000 7.221 -4.630) 8.578 10.617 ( 0.000 7.221 4.630) 8.578 10.772 ( 0.000 0.222 -5.497) 5.502 10.772 ( 0.000 0.222 5.497) 5.502 10.827 ( 0.000 0.051 -5.790) 5.790 10.827 ( 0.000 0.051 5.790) 5.790 11.180 ( 0.000 -4.684 -0.667) 4.731 11.180 ( 0.000 -4.684 0.667) 4.731 13.307 ( 0.000 5.142 -4.026) 6.530 13.307 ( 0.000 5.142 4.026) 6.530 13.554 ( 0.000 0.893 -12.587) 12.619 13.554 ( 0.000 0.893 12.587) 12.619 ======================= Grid point 272 (87/100) ======================= q-point: ( 0.12 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 2.820 -10.133 -5.080) 11.680 1.676 ( 2.820 -10.133 5.080) 11.680 1.926 ( -1.875 -2.668 -7.548) 8.222 1.926 ( -1.875 -2.668 7.548) 8.222 2.167 ( 3.714 -0.323 -3.314) 4.987 2.167 ( 3.714 -0.323 3.314) 4.987 2.332 ( 0.525 4.103 -1.375) 4.359 2.332 ( 0.525 4.103 1.375) 4.359 2.543 ( -1.528 4.012 -0.233) 4.300 2.543 ( -1.528 4.012 0.233) 4.300 2.790 ( -6.842 1.087 -9.267) 11.570 2.790 ( -6.842 1.087 9.267) 11.570 2.872 ( 3.470 6.287 -1.517) 7.340 2.872 ( 3.470 6.287 1.517) 7.340 3.284 ( 0.026 -7.542 -0.803) 7.585 3.284 ( 0.026 -7.542 0.803) 7.585 3.567 ( 6.073 -1.822 -4.982) 8.063 3.567 ( 6.073 -1.822 4.982) 8.063 3.666 ( 3.877 2.943 -10.033) 11.151 3.666 ( 3.877 2.943 10.033) 11.151 4.142 ( 3.225 3.010 -5.305) 6.900 4.142 ( 3.225 3.010 5.305) 6.900 4.389 ( -2.821 12.174 -7.373) 14.509 4.389 ( -2.821 12.174 7.373) 14.509 4.482 ( 1.472 5.083 -27.307) 27.815 4.482 ( 1.472 5.083 27.307) 27.815 5.045 ( -11.020 2.248 -10.508) 15.392 5.045 ( -11.020 2.248 10.508) 15.392 5.410 ( -7.623 1.551 -6.834) 10.355 5.410 ( -7.623 1.551 6.834) 10.355 5.548 ( -0.865 -3.243 -2.276) 4.055 5.548 ( -0.865 -3.243 2.276) 4.055 5.928 ( -4.856 2.620 -8.273) 9.944 5.928 ( -4.856 2.620 8.273) 9.944 5.991 ( -5.578 9.100 -1.403) 10.765 5.991 ( -5.578 9.100 1.403) 10.765 6.250 ( -20.714 2.887 -10.889) 23.579 6.250 ( -20.714 2.887 10.889) 23.579 6.569 ( -1.468 -2.319 -4.420) 5.203 6.569 ( -1.468 -2.319 4.420) 5.203 6.998 ( -11.578 -5.543 -14.152) 19.106 6.998 ( -11.578 -5.543 14.152) 19.106 7.866 ( 34.298 6.928 -25.863) 43.512 7.866 ( 34.298 6.928 25.863) 43.512 8.866 ( 25.930 -4.664 -23.843) 35.534 8.866 ( 25.930 -4.664 23.843) 35.534 9.317 ( -0.369 -25.779 -12.881) 28.820 9.317 ( -0.369 -25.779 12.881) 28.820 10.553 ( -4.797 6.362 -4.621) 9.211 10.553 ( -4.797 6.362 4.621) 9.211 10.824 ( 3.773 -0.054 -5.526) 6.692 10.824 ( 3.773 -0.054 5.526) 6.692 10.871 ( 3.986 0.522 -6.279) 7.456 10.871 ( 3.986 0.522 6.279) 7.456 11.181 ( 0.086 -4.705 -0.710) 4.759 11.181 ( 0.086 -4.705 0.710) 4.759 13.245 ( -5.966 4.655 -3.430) 8.308 13.245 ( -5.966 4.655 3.430) 8.308 13.419 ( -13.026 1.767 -12.595) 18.205 13.419 ( -13.026 1.767 12.595) 18.205 ======================= Grid point 274 (88/100) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 0.095 -4.179 -3.039) 5.168 1.717 ( 0.095 -4.179 3.039) 5.168 1.853 ( -4.128 -1.714 -6.733) 8.082 1.853 ( -4.128 -1.714 6.733) 8.082 2.183 ( -4.565 7.456 -0.990) 8.798 2.183 ( -4.565 7.456 0.990) 8.798 2.352 ( 2.877 -5.132 -3.814) 7.012 2.352 ( 2.877 -5.132 3.814) 7.012 2.531 ( 2.716 3.101 -3.278) 5.267 2.531 ( 2.716 3.101 3.278) 5.267 2.781 ( 3.930 -6.182 -9.597) 12.074 2.781 ( 3.930 -6.182 9.597) 12.074 2.999 ( 7.037 8.680 -5.045) 12.260 2.999 ( 7.037 8.680 5.045) 12.260 3.262 ( 1.826 -9.778 -3.279) 10.474 3.262 ( 1.826 -9.778 3.279) 10.474 3.632 ( 0.942 0.683 -7.876) 7.961 3.632 ( 0.942 0.683 7.876) 7.961 3.769 ( 3.267 0.665 -4.249) 5.401 3.769 ( 3.267 0.665 4.249) 5.401 4.154 ( -4.424 -0.888 -4.754) 6.554 4.154 ( -4.424 -0.888 4.754) 6.554 4.280 ( -7.337 5.369 -10.436) 13.841 4.280 ( -7.337 5.369 10.436) 13.841 4.547 ( 2.413 8.983 -14.173) 16.952 4.547 ( 2.413 8.983 14.173) 16.952 4.784 ( -9.938 12.493 -11.313) 19.566 4.784 ( -9.938 12.493 11.313) 19.566 5.207 ( -11.833 1.246 -9.362) 15.140 5.207 ( -11.833 1.246 9.362) 15.140 5.478 ( -5.279 -2.593 -10.532) 12.063 5.478 ( -5.279 -2.593 10.532) 12.063 5.758 ( -9.854 4.744 -8.358) 13.765 5.758 ( -9.854 4.744 8.358) 13.765 5.903 ( -1.086 1.928 -5.283) 5.727 5.903 ( -1.086 1.928 5.283) 5.727 6.000 ( -6.279 5.578 -4.412) 9.487 6.000 ( -6.279 5.578 4.412) 9.487 6.399 ( -13.068 5.762 -4.048) 14.845 6.399 ( -13.068 5.762 4.048) 14.845 6.969 ( 6.301 -10.462 -4.822) 13.130 6.969 ( 6.301 -10.462 4.822) 13.130 8.538 ( 30.640 3.837 -23.778) 38.974 8.538 ( 30.640 3.837 23.778) 38.974 9.180 ( 0.241 -20.053 -14.421) 24.701 9.180 ( 0.241 -20.053 14.421) 24.701 9.576 ( 29.528 -8.632 -21.717) 37.657 9.576 ( 29.528 -8.632 21.717) 37.657 10.452 ( -5.063 6.423 -4.654) 9.410 10.452 ( -5.063 6.423 4.654) 9.410 10.902 ( 3.763 -1.551 -5.531) 6.868 10.902 ( 3.763 -1.551 5.531) 6.868 10.961 ( 4.442 0.566 -6.444) 7.847 10.961 ( 4.442 0.566 6.444) 7.847 11.182 ( -0.106 -4.949 -0.759) 5.008 11.182 ( -0.106 -4.949 0.759) 5.008 13.049 ( -20.129 3.452 -11.035) 23.214 13.049 ( -20.129 3.452 11.035) 23.214 13.093 ( -11.115 4.268 -3.467) 12.400 13.093 ( -11.115 4.268 3.467) 12.400 ======================= Grid point 276 (89/100) ======================= q-point: ( 0.38 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -3.855 3.725 -4.983) 7.318 1.664 ( -3.855 3.725 4.983) 7.318 1.805 ( -1.118 0.801 -1.581) 2.096 1.805 ( -1.118 0.801 1.581) 2.096 2.058 ( -5.530 8.161 -1.433) 9.961 2.058 ( -5.530 8.161 1.433) 9.961 2.441 ( 5.011 -10.385 -3.841) 12.153 2.441 ( 5.011 -10.385 3.841) 12.153 2.631 ( 5.690 -3.157 -4.357) 7.831 2.631 ( 5.690 -3.157 4.357) 7.831 2.813 ( -1.450 -9.792 -5.086) 11.129 2.813 ( -1.450 -9.792 5.086) 11.129 3.136 ( 6.404 7.428 -4.822) 10.929 3.136 ( 6.404 7.428 4.822) 10.929 3.406 ( 10.546 -3.264 -4.651) 11.979 3.406 ( 10.546 -3.264 4.651) 11.979 3.632 ( -0.967 -0.479 -10.535) 10.591 3.632 ( -0.967 -0.479 10.535) 10.591 3.765 ( -2.563 -1.054 -7.991) 8.458 3.765 ( -2.563 -1.054 7.991) 8.458 3.949 ( -10.932 -4.956 -8.879) 14.931 3.949 ( -10.932 -4.956 8.879) 14.931 4.120 ( -10.633 1.293 -6.231) 12.392 4.120 ( -10.633 1.293 6.231) 12.392 4.472 ( -3.877 20.605 -3.469) 21.252 4.472 ( -3.877 20.605 3.469) 21.252 4.796 ( 3.863 9.435 -13.560) 16.965 4.796 ( 3.863 9.435 13.560) 16.965 4.999 ( -6.488 1.703 -4.010) 7.815 4.999 ( -6.488 1.703 4.010) 7.815 5.397 ( -2.215 -3.568 -9.194) 10.108 5.397 ( -2.215 -3.568 9.194) 10.108 5.622 ( -3.803 7.445 -3.265) 8.975 5.622 ( -3.803 7.445 3.265) 8.975 5.869 ( -4.098 0.737 -5.924) 7.241 5.869 ( -4.098 0.737 5.924) 7.241 5.945 ( 1.819 5.517 -2.261) 6.234 5.945 ( 1.819 5.517 2.261) 6.234 6.164 ( -9.417 9.351 -2.655) 13.534 6.164 ( -9.417 9.351 2.655) 13.534 7.109 ( 6.001 -11.747 -3.944) 13.768 7.109 ( 6.001 -11.747 3.944) 13.768 8.995 ( 9.773 -18.158 -5.713) 21.398 8.995 ( 9.773 -18.158 5.713) 21.398 9.202 ( 7.593 0.025 -3.798) 8.490 9.202 ( 7.593 0.025 3.798) 8.490 10.166 ( 24.207 -7.458 -18.752) 31.516 10.166 ( 24.207 -7.458 18.752) 31.516 10.363 ( -2.218 6.468 -4.847) 8.381 10.363 ( -2.218 6.468 4.847) 8.381 10.967 ( 2.449 -2.864 -4.180) 5.628 10.967 ( 2.449 -2.864 4.180) 5.628 11.038 ( 3.168 -0.059 -5.234) 6.118 11.038 ( 3.168 -0.059 5.234) 6.118 11.172 ( -1.085 -5.898 -0.547) 6.022 11.172 ( -1.085 -5.898 0.547) 6.022 12.598 ( -21.030 8.169 -10.417) 24.850 12.598 ( -21.030 8.169 10.417) 24.850 12.907 ( -7.573 2.452 -0.576) 7.981 12.907 ( -7.573 2.452 0.576) 7.981 ======================= Grid point 278 (90/100) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 0.000 6.405 0.000) 6.405 1.619 ( 0.000 6.405 0.000) 6.405 1.793 ( 0.000 3.088 0.000) 3.088 1.793 ( 0.000 3.088 0.000) 3.088 2.000 ( 0.000 7.161 0.000) 7.161 2.000 ( 0.000 7.161 0.000) 7.161 2.501 ( 0.000 -11.027 -0.000) 11.027 2.501 ( -0.000 -11.027 0.000) 11.027 2.726 ( -0.000 -15.533 0.000) 15.533 2.726 ( -0.000 -15.533 0.000) 15.533 2.757 ( 0.000 -0.761 -0.000) 0.761 2.757 ( 0.000 -0.761 0.000) 0.761 3.214 ( 0.000 6.174 0.000) 6.174 3.214 ( 0.000 6.174 0.000) 6.174 3.541 ( -0.000 -0.398 0.000) 0.398 3.541 ( 0.000 -0.398 0.000) 0.398 3.618 ( 0.000 -4.309 -0.000) 4.309 3.618 ( 0.000 -4.309 0.000) 4.309 3.732 ( -0.000 -1.641 -0.000) 1.641 3.732 ( 0.000 -1.641 0.000) 1.641 3.871 ( -0.000 -0.657 -0.000) 0.657 3.871 ( 0.000 -0.657 0.000) 0.657 3.923 ( -0.000 -0.885 -0.000) 0.885 3.923 ( 0.000 -0.885 0.000) 0.885 4.446 ( 0.000 22.221 -0.000) 22.221 4.446 ( 0.000 22.221 0.000) 22.221 4.811 ( 0.000 5.807 0.000) 5.807 4.811 ( 0.000 5.807 0.000) 5.807 4.963 ( 0.000 3.460 0.000) 3.460 4.963 ( 0.000 3.460 0.000) 3.460 5.379 ( 0.000 -2.978 0.000) 2.978 5.379 ( 0.000 -2.978 0.000) 2.978 5.590 ( 0.000 8.635 -0.000) 8.635 5.590 ( 0.000 8.635 0.000) 8.635 5.813 ( 0.000 -0.408 0.000) 0.408 5.813 ( 0.000 -0.408 0.000) 0.408 6.011 ( -0.000 14.598 0.000) 14.598 6.011 ( 0.000 14.598 0.000) 14.598 6.028 ( -0.000 1.994 -0.000) 1.994 6.028 ( 0.000 1.994 -0.000) 1.994 7.174 ( 0.000 -12.057 0.000) 12.057 7.174 ( 0.000 -12.057 0.000) 12.057 9.037 ( 0.000 -29.116 -0.000) 29.116 9.037 ( 0.000 -29.116 0.000) 29.116 9.346 ( 0.000 11.084 0.000) 11.084 9.346 ( 0.000 11.084 0.000) 11.084 10.282 ( 0.000 5.438 0.000) 5.438 10.282 ( 0.000 5.438 0.000) 5.438 10.502 ( 0.000 -7.062 0.000) 7.062 10.502 ( 0.000 -7.062 0.000) 7.062 10.992 ( 0.000 -3.761 0.000) 3.761 10.992 ( 0.000 -3.761 0.000) 3.761 11.082 ( 0.000 -0.237 0.000) 0.237 11.082 ( 0.000 -0.237 0.000) 0.237 11.145 ( 0.000 -7.497 0.000) 7.497 11.145 ( 0.000 -7.497 0.000) 7.497 12.349 ( -0.000 11.836 -0.000) 11.836 12.349 ( 0.000 11.836 0.000) 11.836 12.824 ( 0.000 1.804 0.000) 1.804 12.824 ( 0.000 1.804 0.000) 1.804 ======================= Grid point 288 (91/100) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 0.000 -4.661 -3.132) 5.615 1.490 ( 0.000 -4.661 3.132) 5.615 1.882 ( 0.000 -1.726 -4.396) 4.723 1.882 ( 0.000 -1.726 4.396) 4.723 2.062 ( 0.000 -6.234 -0.698) 6.273 2.062 ( 0.000 -6.234 0.698) 6.273 2.264 ( 0.000 -2.363 -1.045) 2.584 2.264 ( 0.000 -2.363 1.045) 2.584 2.692 ( 0.000 3.197 -2.798) 4.248 2.692 ( 0.000 3.197 2.798) 4.248 2.904 ( 0.000 7.209 -1.604) 7.385 2.904 ( 0.000 7.209 1.604) 7.385 3.055 ( 0.000 0.253 -0.640) 0.688 3.055 ( 0.000 0.253 0.640) 0.688 3.225 ( 0.000 1.468 -1.673) 2.226 3.225 ( 0.000 1.468 1.673) 2.226 3.435 ( 0.000 0.321 -0.765) 0.830 3.435 ( 0.000 0.321 0.765) 0.830 3.620 ( 0.000 -2.333 -7.775) 8.118 3.620 ( 0.000 -2.333 7.775) 8.118 4.212 ( 0.000 6.169 -8.827) 10.769 4.212 ( 0.000 6.169 8.828) 10.769 4.483 ( 0.000 0.387 -22.818) 22.821 4.483 ( 0.000 0.387 22.818) 22.821 4.774 ( 0.000 17.351 -5.639) 18.244 4.774 ( 0.000 17.351 5.639) 18.244 5.137 ( 0.000 -1.521 -6.558) 6.732 5.137 ( 0.000 -1.521 6.558) 6.732 5.473 ( 0.000 -2.751 -3.563) 4.502 5.473 ( 0.000 -2.751 3.563) 4.502 5.543 ( 0.000 2.993 -0.999) 3.155 5.543 ( 0.000 2.993 0.999) 3.155 5.913 ( 0.000 -4.408 -4.109) 6.026 5.913 ( 0.000 -4.408 4.109) 6.026 6.237 ( 0.000 -8.329 -0.883) 8.376 6.237 ( 0.000 -8.329 0.883) 8.376 6.553 ( 0.000 29.840 -8.578) 31.048 6.553 ( 0.000 29.840 8.578) 31.048 6.820 ( 0.000 6.636 -20.407) 21.459 6.820 ( 0.000 6.636 20.407) 21.459 7.100 ( 0.000 -4.548 -22.495) 22.950 7.100 ( 0.000 -4.548 22.495) 22.950 7.480 ( 0.000 -0.569 -15.809) 15.819 7.480 ( 0.000 -0.569 15.809) 15.819 8.465 ( 0.000 -4.364 -12.631) 13.363 8.465 ( 0.000 -4.364 12.631) 13.363 8.729 ( 0.000 -31.022 -10.766) 32.837 8.729 ( 0.000 -31.022 10.766) 32.837 10.739 ( 0.000 3.881 -2.141) 4.432 10.739 ( 0.000 3.881 2.141) 4.432 10.786 ( 0.000 1.932 -3.622) 4.105 10.786 ( 0.000 1.932 3.622) 4.105 10.835 ( 0.000 1.521 -5.197) 5.415 10.835 ( 0.000 1.521 5.197) 5.415 11.065 ( 0.000 -6.825 -0.953) 6.891 11.065 ( 0.000 -6.825 0.953) 6.891 13.418 ( 0.000 5.669 -0.289) 5.677 13.418 ( 0.000 5.669 0.289) 5.677 13.564 ( 0.000 -0.119 -9.659) 9.660 13.564 ( 0.000 -0.119 9.659) 9.660 ======================= Grid point 290 (92/100) ======================= q-point: ( 0.12 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 4.151 -4.640 -3.121) 6.964 1.534 ( 4.151 -4.640 3.121) 6.964 1.892 ( -0.199 0.336 -5.224) 5.239 1.892 ( -0.199 0.336 5.224) 5.239 2.096 ( 4.160 -6.739 -3.002) 8.470 2.096 ( 4.160 -6.739 3.002) 8.470 2.323 ( 4.223 -1.757 -0.232) 4.580 2.323 ( 4.223 -1.757 0.232) 4.580 2.670 ( -2.257 5.832 -2.771) 6.840 2.670 ( -2.257 5.832 2.771) 6.840 2.819 ( -11.989 2.058 -8.910) 15.079 2.819 ( -11.989 2.058 8.910) 15.079 2.973 ( 2.625 3.272 -2.602) 4.937 2.973 ( 2.625 3.272 2.602) 4.937 3.158 ( -4.560 -5.139 -1.388) 7.009 3.158 ( -4.560 -5.139 1.388) 7.009 3.566 ( 7.143 1.941 -0.979) 7.466 3.566 ( 7.143 1.941 0.979) 7.466 3.686 ( 5.145 -0.777 -7.908) 9.466 3.686 ( 5.145 -0.777 7.908) 9.466 4.234 ( 0.981 5.348 -11.454) 12.679 4.234 ( 0.981 5.348 11.454) 12.679 4.431 ( -5.271 -1.782 -21.229) 21.946 4.431 ( -5.271 -1.782 21.229) 21.946 4.788 ( 1.709 18.311 -8.658) 20.326 4.788 ( 1.709 18.311 8.658) 20.326 5.086 ( -4.092 1.292 -6.187) 7.529 5.086 ( -4.092 1.292 6.187) 7.529 5.448 ( -8.790 2.069 -2.775) 9.447 5.448 ( -8.790 2.069 2.775) 9.447 5.500 ( 0.634 -1.853 -4.260) 4.688 5.500 ( 0.634 -1.853 4.260) 4.688 5.874 ( -2.747 -2.778 -7.665) 8.603 5.874 ( -2.747 -2.778 7.665) 8.603 6.190 ( -6.799 -3.700 -2.458) 8.121 6.190 ( -6.799 -3.700 2.458) 8.121 6.351 ( -21.113 12.969 -11.723) 27.411 6.351 ( -21.113 12.969 11.723) 27.411 6.623 ( -1.595 8.695 -6.278) 10.842 6.623 ( -1.595 8.695 6.278) 10.842 6.949 ( -10.255 5.949 -11.814) 16.737 6.949 ( -10.255 5.949 11.814) 16.737 7.917 ( 27.580 -7.554 -17.085) 33.311 7.917 ( 27.580 -7.554 17.085) 33.311 8.714 ( 10.872 -13.256 -12.078) 20.972 8.714 ( 10.872 -13.256 12.078) 20.972 8.817 ( 19.447 -16.719 -13.485) 28.975 8.817 ( 19.447 -16.719 13.485) 28.975 10.669 ( -4.504 5.388 -4.119) 8.141 10.669 ( -4.504 5.388 4.119) 8.141 10.809 ( 1.428 -1.598 -5.381) 5.792 10.809 ( 1.428 -1.598 5.381) 5.792 10.897 ( 4.411 2.345 -5.268) 7.260 10.897 ( 4.411 2.345 5.268) 7.260 11.071 ( 0.522 -6.171 -1.223) 6.312 11.071 ( 0.522 -6.171 1.223) 6.312 13.342 ( -7.400 4.669 -0.334) 8.756 13.342 ( -7.400 4.669 0.334) 8.756 13.452 ( -10.806 1.234 -9.368) 14.354 13.452 ( -10.806 1.234 9.368) 14.354 ======================= Grid point 292 (93/100) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 5.733 -3.287 -2.478) 7.057 1.640 ( 5.733 -3.287 2.478) 7.057 1.862 ( -2.247 3.496 -6.191) 7.456 1.862 ( -2.247 3.496 6.191) 7.456 2.192 ( 3.465 -6.136 -3.623) 7.923 2.192 ( 3.465 -6.136 3.623) 7.923 2.354 ( -2.184 2.433 -2.533) 4.136 2.354 ( -2.184 2.433 2.533) 4.136 2.588 ( -6.922 0.426 -4.708) 8.382 2.588 ( -6.922 0.426 4.708) 8.382 2.644 ( -1.454 -3.498 -4.122) 5.599 2.644 ( -1.454 -3.498 4.122) 5.599 3.094 ( 8.863 -1.094 -3.115) 9.458 3.094 ( 8.863 -1.094 3.116) 9.458 3.161 ( 5.281 1.481 -3.219) 6.359 3.161 ( 5.281 1.481 3.219) 6.359 3.642 ( 1.185 0.483 -6.691) 6.812 3.642 ( 1.185 0.483 6.691) 6.812 3.766 ( 1.500 -0.841 -7.409) 7.606 3.766 ( 1.500 -0.841 7.409) 7.606 4.134 ( -12.802 -0.739 -6.008) 14.161 4.134 ( -12.802 -0.739 6.008) 14.161 4.311 ( -5.718 -0.400 -13.048) 14.252 4.311 ( -5.718 -0.400 13.048) 14.252 4.850 ( 3.127 16.458 -7.329) 18.286 4.850 ( 3.127 16.458 7.329) 18.286 4.996 ( -3.988 8.851 -7.437) 12.229 4.996 ( -3.988 8.851 7.437) 12.229 5.234 ( -11.243 1.305 -6.666) 13.135 5.234 ( -11.243 1.305 6.666) 13.135 5.421 ( -7.450 -3.360 -7.740) 11.256 5.421 ( -7.450 -3.360 7.740) 11.256 5.841 ( -1.824 3.614 -5.377) 6.730 5.841 ( -1.824 3.614 5.377) 6.730 5.962 ( -7.165 3.734 -6.968) 10.669 5.962 ( -7.165 3.734 6.968) 10.669 6.087 ( -7.417 2.073 -5.632) 9.541 6.087 ( -7.417 2.073 5.632) 9.541 6.653 ( -0.776 7.737 -1.788) 7.979 6.653 ( -0.776 7.737 1.788) 7.979 6.793 ( -2.193 9.114 -5.114) 10.678 6.793 ( -2.193 9.114 5.114) 10.678 8.292 ( 7.479 -34.754 -2.046) 35.609 8.292 ( 7.479 -34.754 2.046) 35.609 8.975 ( 20.480 5.556 -12.564) 24.660 8.975 ( 20.480 5.556 12.564) 24.660 9.395 ( 31.181 -10.521 -22.866) 40.073 9.395 ( 31.181 -10.521 22.866) 40.073 10.581 ( -4.285 6.840 -4.234) 9.114 10.581 ( -4.285 6.840 4.234) 9.114 10.838 ( 1.214 -5.213 -5.481) 7.661 10.838 ( 1.214 -5.213 5.481) 7.661 10.981 ( 3.708 1.499 -5.100) 6.481 10.981 ( 3.708 1.499 5.100) 6.481 11.083 ( 0.517 -4.525 -1.624) 4.835 11.083 ( 0.517 -4.525 1.624) 4.835 13.119 ( -15.737 3.201 -6.026) 17.153 13.119 ( -15.737 3.201 6.026) 17.153 13.178 ( -13.656 3.834 -2.132) 14.343 13.178 ( -13.656 3.834 2.132) 14.343 ======================= Grid point 294 (94/100) ======================= q-point: ( 0.38 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 3.373 1.989 -1.839) 4.326 1.737 ( 3.373 1.989 1.839) 4.326 1.824 ( -1.228 4.468 -6.957) 8.359 1.824 ( -1.228 4.468 6.957) 8.359 2.207 ( -1.559 -1.406 -2.412) 3.198 2.207 ( -1.559 -1.406 2.412) 3.198 2.285 ( -2.284 -1.362 -7.368) 7.833 2.285 ( -2.284 -1.362 7.368) 7.833 2.506 ( -1.502 -6.537 -2.358) 7.110 2.506 ( -1.502 -6.537 2.358) 7.110 2.662 ( 1.882 -5.205 -3.105) 6.346 2.662 ( 1.882 -5.205 3.105) 6.346 3.259 ( 5.573 5.381 -5.178) 9.318 3.259 ( 5.573 5.381 5.178) 9.318 3.355 ( 12.629 -1.871 -2.153) 12.947 3.355 ( 12.629 -1.871 2.153) 12.947 3.631 ( -2.525 -0.052 -11.128) 11.411 3.631 ( -2.525 -0.052 11.128) 11.411 3.743 ( -2.795 -1.032 -5.527) 6.279 3.743 ( -2.795 -1.032 5.527) 6.279 3.864 ( -9.320 -3.531 -8.309) 12.976 3.864 ( -9.320 -3.531 8.309) 12.976 4.122 ( -13.559 -0.626 -3.683) 14.064 4.122 ( -13.559 -0.626 3.683) 14.064 4.811 ( -3.208 10.595 -3.334) 11.561 4.811 ( -3.208 10.595 3.334) 11.561 4.990 ( -4.068 7.300 -9.004) 12.284 4.990 ( -4.068 7.300 9.004) 12.284 5.062 ( -0.507 7.256 -2.431) 7.669 5.062 ( -0.507 7.256 2.431) 7.669 5.331 ( -1.107 -3.634 -7.389) 8.308 5.331 ( -1.107 -3.634 7.389) 8.308 5.774 ( -2.601 6.931 -1.789) 7.616 5.774 ( -2.601 6.931 1.789) 7.616 5.880 ( -4.870 0.251 -4.765) 6.818 5.880 ( -4.870 0.251 4.765) 6.818 6.062 ( 4.334 8.011 -2.459) 9.434 6.062 ( 4.334 8.011 2.459) 9.434 6.538 ( -7.103 24.321 -4.960) 25.817 6.538 ( -7.103 24.321 4.960) 25.817 6.859 ( 4.610 -7.237 -4.068) 9.496 6.859 ( 4.610 -7.237 4.068) 9.496 8.328 ( -0.896 -43.556 -4.584) 43.806 8.328 ( -0.896 -43.556 4.584) 43.806 9.410 ( 18.799 14.742 -14.170) 27.776 9.410 ( 18.799 14.742 14.170) 27.776 9.972 ( 24.048 -12.433 -18.314) 32.685 9.972 ( 24.048 -12.433 18.314) 32.685 10.499 ( -3.569 7.692 -4.122) 9.429 10.499 ( -3.569 7.692 4.122) 9.429 10.847 ( -0.577 -9.136 -5.169) 10.513 10.847 ( -0.577 -9.136 5.169) 10.513 11.042 ( 2.294 0.455 -3.636) 4.323 11.042 ( 2.294 0.455 3.636) 4.323 11.088 ( -0.132 -2.417 -1.139) 2.675 11.088 ( -0.132 -2.417 1.139) 2.675 12.770 ( -15.876 8.604 -7.589) 19.587 12.770 ( -15.876 8.604 7.589) 19.587 12.943 ( -9.397 0.609 -1.700) 9.569 12.943 ( -9.397 0.609 1.700) 9.569 ======================= Grid point 296 (95/100) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 0.000 8.575 -0.000) 8.575 1.773 ( 0.000 8.575 0.000) 8.575 1.808 ( -0.000 1.220 -0.000) 1.220 1.808 ( 0.000 1.220 0.000) 1.220 2.182 ( 0.000 6.167 -0.000) 6.167 2.182 ( 0.000 6.167 0.000) 6.167 2.270 ( 0.000 -11.711 -0.000) 11.711 2.270 ( -0.000 -11.711 0.000) 11.711 2.496 ( 0.000 -5.935 0.000) 5.935 2.496 ( 0.000 -5.935 0.000) 5.935 2.687 ( 0.000 -6.029 0.000) 6.029 2.687 ( 0.000 -6.029 0.000) 6.029 3.316 ( 0.000 5.159 0.000) 5.159 3.316 ( 0.000 5.159 0.000) 5.159 3.484 ( 0.000 -3.598 -0.000) 3.598 3.484 ( 0.000 -3.598 0.000) 3.598 3.627 ( -0.000 3.189 -0.000) 3.189 3.627 ( 0.000 3.189 0.000) 3.189 3.719 ( -0.000 -0.157 -0.000) 0.157 3.719 ( 0.000 -0.157 0.000) 0.157 3.826 ( -0.000 -3.016 -0.000) 3.016 3.826 ( 0.000 -3.016 0.000) 3.016 3.870 ( -0.000 -3.982 0.000) 3.982 3.870 ( 0.000 -3.982 0.000) 3.982 4.798 ( -0.000 10.618 -0.000) 10.618 4.798 ( 0.000 10.618 0.000) 10.618 4.898 ( 0.000 2.452 -0.000) 2.452 4.898 ( 0.000 2.452 0.000) 2.452 5.091 ( 0.000 9.827 0.000) 9.827 5.091 ( 0.000 9.827 0.000) 9.827 5.330 ( 0.000 -2.639 0.000) 2.639 5.330 ( 0.000 -2.639 0.000) 2.639 5.754 ( -0.000 6.628 0.000) 6.628 5.754 ( -0.000 6.628 0.000) 6.628 5.816 ( -0.000 0.420 0.000) 0.420 5.816 ( 0.000 0.420 0.000) 0.420 6.131 ( -0.000 10.312 0.000) 10.312 6.131 ( 0.000 10.312 0.000) 10.312 6.448 ( 0.000 26.980 0.000) 26.980 6.448 ( 0.000 26.980 0.000) 26.980 6.911 ( 0.000 -9.494 0.000) 9.494 6.911 ( 0.000 -9.494 0.000) 9.494 8.313 ( 0.000 -44.522 0.000) 44.522 8.313 ( 0.000 -44.522 0.000) 44.522 9.619 ( 0.000 16.443 0.000) 16.443 9.619 ( 0.000 16.443 0.000) 16.443 10.241 ( 0.000 -12.521 0.000) 12.521 10.241 ( 0.000 -12.521 0.000) 12.521 10.462 ( -0.000 6.156 -0.000) 6.156 10.462 ( 0.000 6.156 0.000) 6.156 10.828 ( 0.000 -11.328 0.000) 11.328 10.828 ( 0.000 -11.328 0.000) 11.328 11.074 ( -0.000 -0.827 -0.000) 0.827 11.074 ( 0.000 -0.827 0.000) 0.827 11.076 ( -0.000 -0.304 0.000) 0.304 11.076 ( 0.000 -0.304 0.000) 0.304 12.589 ( -0.000 11.848 -0.000) 11.848 12.589 ( 0.000 11.848 0.000) 11.848 12.841 ( 0.000 -0.871 0.000) 0.871 12.841 ( 0.000 -0.871 0.000) 0.871 ======================= Grid point 306 (96/100) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 0.000 0.000 0.000) 0.000 1.449 ( 0.000 0.000 0.000) 0.000 1.877 ( 0.000 0.000 0.000) 0.000 1.877 ( 0.000 0.000 0.000) 0.000 1.972 ( 0.000 0.000 0.000) 0.000 1.972 ( 0.000 0.000 0.000) 0.000 2.248 ( 0.000 0.000 0.000) 0.000 2.248 ( 0.000 0.000 0.000) 0.000 2.713 ( 0.000 0.000 0.000) 0.000 2.713 ( 0.000 0.000 0.000) 0.000 2.995 ( 0.000 -0.000 0.000) 0.000 2.995 ( 0.000 0.000 0.000) 0.000 3.077 ( 0.000 -0.000 0.000) 0.000 3.077 ( 0.000 0.000 -0.000) 0.000 3.176 ( 0.000 0.000 0.000) 0.000 3.176 ( 0.000 0.000 0.000) 0.000 3.510 ( 0.000 0.000 0.000) 0.000 3.510 ( 0.000 0.000 -0.000) 0.000 3.557 ( 0.000 0.000 0.000) 0.000 3.557 ( 0.000 -0.000 0.000) 0.000 4.279 ( 0.000 0.000 -0.000) 0.000 4.279 ( 0.000 0.000 -0.000) 0.000 4.483 ( 0.000 0.000 0.000) 0.000 4.483 ( 0.000 0.000 0.000) 0.000 4.980 ( 0.000 0.000 -0.000) 0.000 4.980 ( 0.000 0.000 0.000) 0.000 5.106 ( 0.000 -0.000 0.000) 0.000 5.106 ( 0.000 -0.000 0.000) 0.000 5.441 ( 0.000 -0.000 0.000) 0.000 5.441 ( 0.000 0.000 0.000) 0.000 5.580 ( 0.000 0.000 0.000) 0.000 5.580 ( 0.000 0.000 0.000) 0.000 5.864 ( 0.000 0.000 0.000) 0.000 5.864 ( 0.000 0.000 0.000) 0.000 6.135 ( 0.000 0.000 0.000) 0.000 6.135 ( 0.000 0.000 0.000) 0.000 6.881 ( 0.000 0.000 0.000) 0.000 6.881 ( 0.000 0.000 0.000) 0.000 7.036 ( 0.000 -0.000 -0.000) 0.000 7.036 ( 0.000 -0.000 0.000) 0.000 7.149 ( 0.000 -0.000 0.000) 0.000 7.149 ( 0.000 0.000 -0.000) 0.000 7.252 ( 0.000 -0.000 0.000) 0.000 7.252 ( 0.000 0.000 0.000) 0.000 8.367 ( 0.000 0.000 0.000) 0.000 8.367 ( 0.000 -0.000 0.000) 0.000 8.431 ( 0.000 0.000 0.000) 0.000 8.431 ( 0.000 0.000 0.000) 0.000 10.761 ( 0.000 0.000 0.000) 0.000 10.761 ( 0.000 0.000 0.000) 0.000 10.809 ( 0.000 0.000 -0.000) 0.000 10.809 ( 0.000 0.000 0.000) 0.000 10.909 ( 0.000 -0.000 0.000) 0.000 10.909 ( 0.000 0.000 0.000) 0.000 10.950 ( 0.000 -0.000 -0.000) 0.000 10.950 ( 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 13.553 ( 0.000 -0.000 -0.000) 0.000 13.553 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 310 (97/100) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 4.177 0.000 0.000) 4.177 1.491 ( 4.177 0.000 0.000) 4.177 1.957 ( 6.831 -0.000 -0.000) 6.831 1.957 ( 6.831 0.000 -0.000) 6.831 1.958 ( -0.986 -0.000 0.000) 0.986 1.958 ( -0.986 0.000 0.000) 0.986 2.306 ( 4.505 0.000 -0.000) 4.505 2.306 ( 4.505 0.000 0.000) 4.505 2.725 ( -0.101 0.000 0.000) 0.101 2.725 ( -0.101 0.000 0.000) 0.101 2.848 ( -15.498 0.000 -0.000) 15.498 2.848 ( -15.498 -0.000 0.000) 15.498 3.004 ( -3.595 0.000 0.000) 3.595 3.004 ( -3.595 -0.000 0.000) 3.595 3.100 ( 1.088 0.000 0.000) 1.088 3.100 ( 1.088 0.000 0.000) 1.088 3.607 ( 3.277 0.000 -0.000) 3.277 3.607 ( 3.277 0.000 0.000) 3.277 3.661 ( 8.139 0.000 0.000) 8.139 3.661 ( 8.139 -0.000 0.000) 8.139 4.304 ( 1.911 -0.000 -0.000) 1.911 4.304 ( 1.911 0.000 -0.000) 1.911 4.395 ( -8.953 -0.000 0.000) 8.953 4.395 ( -8.953 0.000 0.000) 8.953 5.020 ( 3.700 0.000 -0.000) 3.700 5.020 ( 3.700 0.000 0.000) 3.700 5.070 ( -2.692 -0.000 0.000) 2.692 5.070 ( -2.692 0.000 0.000) 2.692 5.471 ( -9.737 0.000 -0.000) 9.737 5.471 ( -9.737 0.000 0.000) 9.737 5.479 ( 1.290 -0.000 -0.000) 1.290 5.479 ( 1.290 -0.000 0.000) 1.290 5.848 ( -0.796 0.000 0.000) 0.796 5.848 ( -0.796 0.000 0.000) 0.796 6.117 ( -2.812 0.000 0.000) 2.812 6.117 ( -2.812 0.000 0.000) 2.812 6.476 ( -28.231 -0.000 -0.000) 28.231 6.476 ( -28.231 0.000 0.000) 28.231 6.686 ( -10.884 0.000 0.000) 10.884 6.686 ( -10.884 0.000 0.000) 10.884 7.359 ( 4.406 0.000 0.000) 4.406 7.359 ( 4.406 0.000 0.000) 4.406 7.508 ( 10.258 -0.000 0.000) 10.258 7.508 ( 10.258 -0.000 0.000) 10.258 8.602 ( 22.708 0.000 -0.000) 22.708 8.602 ( 22.708 -0.000 -0.000) 22.708 8.665 ( 21.376 -0.000 0.000) 21.376 8.665 ( 21.376 0.000 0.000) 21.376 10.745 ( -1.408 -0.000 -0.000) 1.408 10.745 ( -1.408 0.000 -0.000) 1.408 10.771 ( -2.622 -0.000 0.000) 2.622 10.771 ( -2.622 0.000 0.000) 2.622 10.956 ( 3.457 -0.000 -0.000) 3.457 10.956 ( 3.457 0.000 -0.000) 3.457 10.972 ( 1.908 -0.000 0.000) 1.908 10.972 ( 1.908 0.000 0.000) 1.908 13.394 ( -8.968 0.000 0.000) 8.968 13.394 ( -8.968 0.000 0.000) 8.968 13.461 ( -8.872 0.000 -0.000) 8.872 13.461 ( -8.872 0.000 -0.000) 8.872 ======================= Grid point 314 (98/100) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 7.095 0.000 0.000) 7.095 1.608 ( 7.095 0.000 0.000) 7.095 1.939 ( -1.019 -0.000 0.000) 1.019 1.939 ( -1.019 0.000 -0.000) 1.019 2.086 ( 4.576 0.000 0.000) 4.576 2.086 ( 4.576 0.000 0.000) 4.576 2.356 ( -1.885 0.000 -0.000) 1.885 2.356 ( -1.885 0.000 0.000) 1.885 2.562 ( -9.055 0.000 0.000) 9.055 2.562 ( -9.055 0.000 0.000) 9.055 2.659 ( -4.883 0.000 0.000) 4.883 2.659 ( -4.883 0.000 0.000) 4.883 3.072 ( 10.052 0.000 0.000) 10.052 3.072 ( 10.052 0.000 0.000) 10.052 3.190 ( 6.679 0.000 0.000) 6.679 3.190 ( 6.679 0.000 0.000) 6.679 3.648 ( 0.573 0.000 -0.000) 0.573 3.648 ( 0.573 0.000 0.000) 0.573 3.753 ( 1.202 0.000 -0.000) 1.202 3.753 ( 1.202 0.000 0.000) 1.202 4.128 ( -16.578 0.000 -0.000) 16.578 4.128 ( -16.578 0.000 -0.000) 16.578 4.304 ( -3.650 0.000 0.000) 3.650 4.304 ( -3.650 0.000 0.000) 3.650 5.010 ( -4.122 -0.000 -0.000) 4.122 5.010 ( -4.122 0.000 0.000) 4.122 5.111 ( 4.679 -0.000 0.000) 4.679 5.111 ( 4.679 0.000 0.000) 4.679 5.249 ( -10.851 0.000 -0.000) 10.851 5.249 ( -10.851 0.000 0.000) 10.851 5.370 ( -10.478 -0.000 -0.000) 10.478 5.370 ( -10.478 0.000 0.000) 10.478 5.882 ( 2.250 0.000 0.000) 2.250 5.882 ( 2.250 0.000 0.000) 2.250 6.007 ( -7.167 -0.000 -0.000) 7.167 6.007 ( -7.167 0.000 0.000) 7.167 6.103 ( -5.614 0.000 -0.000) 5.614 6.103 ( -5.614 -0.000 0.000) 5.614 6.568 ( -1.872 0.000 0.000) 1.872 6.568 ( -1.872 0.000 0.000) 1.872 7.385 ( -0.747 0.000 0.000) 0.747 7.385 ( -0.747 0.000 0.000) 0.747 7.571 ( -1.661 -0.000 0.000) 1.661 7.571 ( -1.661 -0.000 0.000) 1.661 9.166 ( 30.037 -0.000 -0.000) 30.037 9.166 ( 30.037 0.000 -0.000) 30.037 9.183 ( 27.709 -0.000 0.000) 27.709 9.183 ( 27.709 0.000 0.000) 27.709 10.710 ( -2.115 -0.000 -0.000) 2.115 10.710 ( -2.115 0.000 -0.000) 2.115 10.720 ( -2.479 -0.000 -0.000) 2.479 10.720 ( -2.479 0.000 0.000) 2.479 11.014 ( 2.083 -0.000 -0.000) 2.083 11.014 ( 2.083 0.000 -0.000) 2.083 11.022 ( 2.827 -0.000 0.000) 2.827 11.022 ( 2.827 0.000 0.000) 2.827 13.152 ( -14.061 0.000 0.000) 14.061 13.152 ( -14.061 0.000 0.000) 14.061 13.218 ( -14.515 -0.000 -0.000) 14.515 13.218 ( -14.515 0.000 -0.000) 14.515 ======================= Grid point 318 (99/100) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 6.914 0.000 0.000) 6.914 1.756 ( 6.914 0.000 0.000) 6.914 1.908 ( -2.020 -0.000 0.000) 2.020 1.908 ( -2.020 0.000 -0.000) 2.020 2.129 ( 0.632 0.000 0.000) 0.632 2.129 ( 0.632 0.000 0.000) 0.632 2.244 ( -5.852 0.000 -0.000) 5.852 2.244 ( -5.852 0.000 0.000) 5.852 2.512 ( 1.019 -0.000 0.000) 1.019 2.512 ( 1.019 0.000 0.000) 1.019 2.590 ( -2.010 -0.000 0.000) 2.010 2.590 ( -2.010 0.000 0.000) 2.010 3.326 ( 5.796 -0.000 -0.000) 5.796 3.326 ( 5.796 0.000 0.000) 5.796 3.330 ( 13.169 -0.000 0.000) 13.169 3.330 ( 13.169 0.000 0.000) 13.169 3.624 ( -2.774 -0.000 -0.000) 2.774 3.624 ( -2.774 0.000 0.000) 2.774 3.736 ( -1.979 0.000 -0.000) 1.979 3.736 ( -1.979 0.000 0.000) 1.979 3.827 ( -9.795 0.000 -0.000) 9.795 3.827 ( -9.795 -0.000 0.000) 9.795 4.113 ( -14.817 0.000 0.000) 14.817 4.113 ( -14.817 0.000 0.000) 14.817 4.898 ( -4.295 0.000 0.000) 4.295 4.898 ( -4.295 0.000 0.000) 4.295 5.036 ( -8.601 0.000 -0.000) 8.601 5.036 ( -8.601 0.000 -0.000) 8.601 5.213 ( 3.440 -0.000 0.000) 3.440 5.213 ( 3.440 0.000 0.000) 3.440 5.254 ( -0.867 -0.000 0.000) 0.867 5.254 ( -0.867 0.000 -0.000) 0.867 5.844 ( -3.012 -0.000 0.000) 3.012 5.844 ( -3.012 -0.000 0.000) 3.012 5.876 ( -5.091 -0.000 -0.000) 5.091 5.876 ( -5.091 0.000 -0.000) 5.091 6.213 ( 10.656 -0.000 -0.000) 10.656 6.213 ( 10.656 0.000 0.000) 10.656 6.534 ( -3.036 -0.000 0.000) 3.036 6.534 ( -3.036 0.000 0.000) 3.036 7.372 ( 0.223 0.000 0.000) 0.223 7.372 ( 0.223 0.000 0.000) 0.223 7.499 ( -4.616 -0.000 0.000) 4.616 7.499 ( -4.616 -0.000 0.000) 4.616 9.696 ( 21.346 -0.000 -0.000) 21.346 9.696 ( 21.346 0.000 -0.000) 21.346 9.710 ( 21.921 -0.000 0.000) 21.921 9.710 ( 21.921 0.000 0.000) 21.921 10.658 ( -2.925 -0.000 0.000) 2.925 10.658 ( -2.925 -0.000 0.000) 2.925 10.666 ( -2.930 -0.000 -0.000) 2.930 10.666 ( -2.930 0.000 0.000) 2.930 11.051 ( 1.492 0.000 -0.000) 1.492 11.051 ( 1.492 0.000 -0.000) 1.492 11.064 ( 1.242 -0.000 0.000) 1.242 11.064 ( 1.242 0.000 0.000) 1.242 12.882 ( -11.159 -0.000 0.000) 11.159 12.882 ( -11.159 0.000 0.000) 11.159 12.926 ( -12.849 -0.000 -0.000) 12.849 12.926 ( -12.849 0.000 -0.000) 12.849 ======================= Grid point 322 (100/100) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -2.250 -1.229 0.000) 2.564 1.860 ( -2.250 -1.229 0.000) 2.564 1.860 ( 2.250 1.229 0.000) 2.564 1.860 ( 2.250 1.229 0.000) 2.564 2.157 ( -1.447 -1.960 0.000) 2.436 2.157 ( -1.447 -1.960 0.000) 2.436 2.157 ( 1.447 1.960 0.000) 2.436 2.157 ( 1.447 1.960 0.000) 2.436 2.551 ( -0.342 -7.339 -0.000) 7.347 2.551 ( -0.342 -7.339 0.000) 7.347 2.551 ( 0.342 7.339 0.000) 7.347 2.551 ( 0.342 7.339 0.000) 7.347 3.411 ( -1.090 -4.165 0.000) 4.305 3.411 ( -1.090 -4.165 0.000) 4.305 3.411 ( 1.090 4.165 -0.000) 4.305 3.411 ( 1.090 4.165 0.000) 4.305 3.695 ( -2.487 -2.512 -0.000) 3.535 3.695 ( -2.487 -2.512 0.000) 3.535 3.695 ( 2.487 2.512 0.000) 3.535 3.695 ( 2.487 2.512 0.000) 3.535 3.804 ( -10.277 -0.556 0.000) 10.292 3.804 ( -10.277 -0.556 0.000) 10.292 3.804 ( 10.277 0.556 0.000) 10.292 3.804 ( 10.277 0.556 0.000) 10.292 4.901 ( -2.951 -1.448 0.000) 3.287 4.901 ( -2.951 -1.448 0.000) 3.287 4.901 ( 2.951 1.448 -0.000) 3.287 4.901 ( 2.951 1.448 0.000) 3.287 5.254 ( -0.023 -5.957 0.000) 5.958 5.254 ( -0.023 -5.957 0.000) 5.958 5.254 ( 0.023 5.957 0.000) 5.958 5.254 ( 0.023 5.957 0.000) 5.958 5.817 ( -0.255 -0.748 0.000) 0.791 5.817 ( -0.255 -0.748 0.000) 0.791 5.817 ( 0.255 0.748 0.000) 0.791 5.817 ( 0.255 0.748 0.000) 0.791 6.417 ( -2.063 -16.700 0.000) 16.827 6.417 ( -2.063 -16.700 0.000) 16.827 6.417 ( 2.063 16.700 0.000) 16.827 6.417 ( 2.063 16.700 0.000) 16.827 7.411 ( -0.138 -46.740 0.000) 46.740 7.411 ( -0.138 -46.740 0.000) 46.740 7.411 ( 0.138 46.740 0.000) 46.740 7.411 ( 0.138 46.740 -0.000) 46.740 9.946 ( -0.018 -17.012 0.000) 17.012 9.946 ( -0.018 -17.012 0.000) 17.012 9.946 ( 0.018 17.012 0.000) 17.012 9.946 ( 0.018 17.012 0.000) 17.012 10.621 ( -0.008 -9.800 -0.000) 9.800 10.621 ( -0.008 -9.800 0.000) 9.800 10.621 ( 0.008 9.800 0.000) 9.800 10.621 ( 0.008 9.800 0.000) 9.800 11.071 ( -0.351 -0.106 0.000) 0.367 11.071 ( -0.351 -0.106 0.000) 0.367 11.071 ( 0.351 0.106 0.000) 0.367 11.071 ( 0.351 0.106 0.000) 0.367 12.771 ( -0.119 -6.618 -0.000) 6.619 12.771 ( -0.119 -6.618 0.000) 6.619 12.771 ( 0.119 6.618 0.000) 6.619 12.771 ( 0.119 6.618 0.000) 6.619 =================== 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 3/23040 10.0 274.775 262.865 260.678 0.000 0.000 -0.000 3/23040 20.0 27.432 30.499 26.935 0.000 0.000 0.000 3/23040 30.0 10.602 12.744 10.269 0.000 0.000 0.000 3/23040 40.0 6.284 7.646 6.044 0.000 0.000 0.000 3/23040 50.0 4.513 5.462 4.348 0.000 0.000 0.000 3/23040 60.0 3.608 4.341 3.504 0.000 0.000 0.000 3/23040 70.0 3.080 3.692 3.021 0.000 0.000 0.000 3/23040 80.0 2.738 3.277 2.714 0.000 0.000 0.000 3/23040 90.0 2.497 2.988 2.497 0.000 0.000 0.000 3/23040 100.0 2.315 2.771 2.332 0.000 0.000 0.000 3/23040 110.0 2.168 2.597 2.197 0.000 0.000 0.000 3/23040 120.0 2.044 2.450 2.081 0.000 0.000 0.000 3/23040 130.0 1.936 2.323 1.979 0.000 0.000 0.000 3/23040 140.0 1.841 2.209 1.888 0.000 0.000 0.000 3/23040 150.0 1.755 2.107 1.804 0.000 0.000 0.000 3/23040 160.0 1.676 2.014 1.727 0.000 0.000 0.000 3/23040 170.0 1.604 1.928 1.655 0.000 0.000 0.000 3/23040 180.0 1.538 1.848 1.589 0.000 0.000 0.000 3/23040 190.0 1.476 1.775 1.527 0.000 0.000 0.000 3/23040 200.0 1.419 1.706 1.470 0.000 0.000 0.000 3/23040 210.0 1.365 1.642 1.416 0.000 0.000 0.000 3/23040 220.0 1.316 1.583 1.365 0.000 0.000 0.000 3/23040 230.0 1.269 1.527 1.318 0.000 0.000 0.000 3/23040 240.0 1.226 1.475 1.273 0.000 0.000 0.000 3/23040 250.0 1.185 1.426 1.231 0.000 0.000 0.000 3/23040 260.0 1.146 1.379 1.192 0.000 0.000 0.000 3/23040 270.0 1.110 1.336 1.154 0.000 0.000 0.000 3/23040 280.0 1.076 1.295 1.119 0.000 0.000 0.000 3/23040 290.0 1.043 1.256 1.086 0.000 0.000 -0.000 3/23040 300.0 1.013 1.219 1.055 0.000 0.000 -0.000 3/23040 310.0 0.984 1.185 1.025 0.000 0.000 -0.000 3/23040 320.0 0.957 1.152 0.997 0.000 0.000 -0.000 3/23040 330.0 0.931 1.121 0.970 0.000 0.000 -0.000 3/23040 340.0 0.906 1.091 0.944 0.000 0.000 -0.000 3/23040 350.0 0.883 1.063 0.920 0.000 0.000 -0.000 3/23040 360.0 0.860 1.036 0.897 0.000 0.000 -0.000 3/23040 370.0 0.839 1.010 0.875 0.000 0.000 -0.000 3/23040 380.0 0.819 0.986 0.854 0.000 0.000 -0.000 3/23040 390.0 0.800 0.963 0.834 0.000 0.000 -0.000 3/23040 400.0 0.781 0.940 0.815 0.000 0.000 -0.000 3/23040 410.0 0.763 0.919 0.796 0.000 0.000 -0.000 3/23040 420.0 0.747 0.899 0.779 0.000 0.000 -0.000 3/23040 430.0 0.730 0.879 0.762 0.000 0.000 -0.000 3/23040 440.0 0.715 0.860 0.746 0.000 0.000 -0.000 3/23040 450.0 0.700 0.843 0.730 0.000 0.000 -0.000 3/23040 460.0 0.686 0.825 0.715 0.000 0.000 -0.000 3/23040 470.0 0.672 0.809 0.701 0.000 0.000 -0.000 3/23040 480.0 0.659 0.793 0.687 0.000 0.000 -0.000 3/23040 490.0 0.646 0.777 0.674 0.000 0.000 -0.000 3/23040 500.0 0.634 0.763 0.661 0.000 0.000 -0.000 3/23040 510.0 0.622 0.748 0.649 0.000 0.000 -0.000 3/23040 520.0 0.610 0.735 0.637 0.000 0.000 -0.000 3/23040 530.0 0.599 0.721 0.626 0.000 0.000 -0.000 3/23040 540.0 0.589 0.709 0.615 0.000 0.000 -0.000 3/23040 550.0 0.578 0.696 0.604 0.000 0.000 -0.000 3/23040 560.0 0.569 0.684 0.594 0.000 0.000 -0.000 3/23040 570.0 0.559 0.673 0.584 0.000 0.000 -0.000 3/23040 580.0 0.550 0.662 0.574 0.000 0.000 -0.000 3/23040 590.0 0.541 0.651 0.565 0.000 0.000 -0.000 3/23040 600.0 0.532 0.640 0.555 0.000 0.000 -0.000 3/23040 610.0 0.524 0.630 0.547 0.000 0.000 -0.000 3/23040 620.0 0.515 0.621 0.538 0.000 0.000 -0.000 3/23040 630.0 0.507 0.611 0.530 0.000 0.000 -0.000 3/23040 640.0 0.500 0.602 0.522 0.000 0.000 -0.000 3/23040 650.0 0.492 0.593 0.514 0.000 0.000 -0.000 3/23040 660.0 0.485 0.584 0.507 0.000 0.000 -0.000 3/23040 670.0 0.478 0.576 0.499 0.000 0.000 -0.000 3/23040 680.0 0.471 0.567 0.492 0.000 0.000 -0.000 3/23040 690.0 0.465 0.559 0.485 0.000 0.000 -0.000 3/23040 700.0 0.458 0.552 0.479 0.000 0.000 -0.000 3/23040 710.0 0.452 0.544 0.472 0.000 0.000 -0.000 3/23040 720.0 0.446 0.537 0.466 0.000 0.000 -0.000 3/23040 730.0 0.440 0.529 0.459 0.000 0.000 -0.000 3/23040 740.0 0.434 0.523 0.453 0.000 0.000 -0.000 3/23040 750.0 0.428 0.516 0.447 0.000 0.000 -0.000 3/23040 760.0 0.423 0.509 0.442 0.000 0.000 -0.000 3/23040 770.0 0.417 0.503 0.436 0.000 0.000 -0.000 3/23040 780.0 0.412 0.496 0.431 0.000 0.000 -0.000 3/23040 790.0 0.407 0.490 0.425 0.000 0.000 -0.000 3/23040 800.0 0.402 0.484 0.420 0.000 0.000 -0.000 3/23040 810.0 0.397 0.478 0.415 0.000 0.000 -0.000 3/23040 820.0 0.393 0.473 0.410 0.000 0.000 -0.000 3/23040 830.0 0.388 0.467 0.405 0.000 0.000 -0.000 3/23040 840.0 0.383 0.462 0.400 0.000 0.000 -0.000 3/23040 850.0 0.379 0.456 0.396 0.000 0.000 -0.000 3/23040 860.0 0.375 0.451 0.391 0.000 0.000 -0.000 3/23040 870.0 0.370 0.446 0.387 0.000 0.000 -0.000 3/23040 880.0 0.366 0.441 0.383 0.000 0.000 -0.000 3/23040 890.0 0.362 0.436 0.378 0.000 0.000 -0.000 3/23040 900.0 0.358 0.431 0.374 0.000 0.000 -0.000 3/23040 910.0 0.354 0.427 0.370 0.000 0.000 -0.000 3/23040 920.0 0.351 0.422 0.366 0.000 0.000 -0.000 3/23040 930.0 0.347 0.418 0.362 0.000 0.000 -0.000 3/23040 940.0 0.343 0.413 0.359 0.000 0.000 -0.000 3/23040 950.0 0.340 0.409 0.355 0.000 0.000 -0.000 3/23040 960.0 0.336 0.405 0.351 0.000 0.000 -0.000 3/23040 970.0 0.333 0.401 0.348 0.000 0.000 -0.000 3/23040 980.0 0.329 0.397 0.344 0.000 0.000 -0.000 3/23040 990.0 0.326 0.393 0.341 0.000 0.000 -0.000 3/23040 1000.0 0.323 0.389 0.337 0.000 0.000 -0.000 3/23040 Thermal conductivity related properties were written into "kappa-m868.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:16:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|