----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:32:49]------------------------- 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 7.007113640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.514941699999998 0.000000000000000 c 0.000000000000000 0.000000000000000 6.442732430000000 Atomic positions (fractional): *1 S 0.18804917061381 0.06417499162526 0.32148009362504 32.065 2 S 0.31195082938619 0.93582500837474 0.82148009362504 32.065 3 S 0.68804917061381 0.43582500837474 0.17851990637496 32.065 4 S 0.81195082938619 0.56417499162526 0.67851990637496 32.065 5 S 0.81195082938619 0.93582500837474 0.67851990637496 32.065 6 S 0.68804917061381 0.06417499162526 0.17851990637496 32.065 7 S 0.31195082938619 0.56417499162526 0.82148009362504 32.065 8 S 0.18804917061381 0.43582500837474 0.32148009362504 32.065 *9 S 0.96658028315588 0.75000000000000 0.12695968963203 32.065 10 S 0.53341971684412 0.25000000000000 0.62695968963203 32.065 11 S 0.46658028315588 0.75000000000000 0.37304031036796 32.065 12 S 0.03341971684412 0.25000000000000 0.87304031036797 32.065 *13 Ca 0.09736212869912 0.75000000000000 0.53569421725321 40.078 14 Ca 0.40263787130088 0.25000000000000 0.03569421725321 40.078 15 Ca 0.59736212869912 0.75000000000000 0.96430578274679 40.078 16 Ca 0.90263787130088 0.25000000000000 0.46430578274679 40.078 *17 Zr 0.00000000000000 0.50000000000000 0.00000000000000 91.224 18 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 19 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 20 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.007113640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.514941699999998 0.000000000000000 c 0.000000000000000 0.000000000000000 6.442732430000000 Atomic positions (fractional): *1 S 0.18804917061381 0.06417499162526 0.32148009362504 32.065 > 1 2 S 0.31195082938619 0.93582500837474 0.82148009362504 32.065 > 2 3 S 0.68804917061381 0.43582500837474 0.17851990637496 32.065 > 3 4 S 0.81195082938619 0.56417499162526 0.67851990637496 32.065 > 4 5 S 0.81195082938619 0.93582500837474 0.67851990637496 32.065 > 5 6 S 0.68804917061381 0.06417499162526 0.17851990637496 32.065 > 6 7 S 0.31195082938619 0.56417499162526 0.82148009362504 32.065 > 7 8 S 0.18804917061381 0.43582500837474 0.32148009362504 32.065 > 8 *9 S 0.96658028315588 0.75000000000000 0.12695968963203 32.065 > 9 10 S 0.53341971684412 0.25000000000000 0.62695968963203 32.065 > 10 11 S 0.46658028315588 0.75000000000000 0.37304031036796 32.065 > 11 12 S 0.03341971684412 0.25000000000000 0.87304031036797 32.065 > 12 *13 Ca 0.09736212869912 0.75000000000000 0.53569421725321 40.078 > 13 14 Ca 0.40263787130088 0.25000000000000 0.03569421725321 40.078 > 14 15 Ca 0.59736212869912 0.75000000000000 0.96430578274679 40.078 > 15 16 Ca 0.90263787130088 0.25000000000000 0.46430578274679 40.078 > 16 *17 Zr 0.00000000000000 0.50000000000000 0.00000000000000 91.224 > 17 18 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 > 18 19 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 > 19 20 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.014227280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.514941699999998 0.000000000000000 c 0.000000000000000 0.000000000000000 12.885464860000001 Atomic positions (fractional): *1 S 0.09402458530690 0.06417499162526 0.16074004681252 32.065 > 1 2 S 0.59402458530690 0.06417499162526 0.16074004681252 32.065 > 1 3 S 0.09402458530690 0.06417499162526 0.66074004681252 32.065 > 1 4 S 0.59402458530690 0.06417499162526 0.66074004681252 32.065 > 1 5 S 0.15597541469310 0.93582500837474 0.41074004681252 32.065 > 2 6 S 0.65597541469310 0.93582500837474 0.41074004681252 32.065 > 2 7 S 0.15597541469310 0.93582500837474 0.91074004681252 32.065 > 2 8 S 0.65597541469310 0.93582500837474 0.91074004681252 32.065 > 2 9 S 0.34402458530690 0.43582500837474 0.08925995318748 32.065 > 3 10 S 0.84402458530690 0.43582500837474 0.08925995318748 32.065 > 3 11 S 0.34402458530690 0.43582500837474 0.58925995318748 32.065 > 3 12 S 0.84402458530690 0.43582500837474 0.58925995318748 32.065 > 3 13 S 0.40597541469310 0.56417499162526 0.33925995318748 32.065 > 4 14 S 0.90597541469310 0.56417499162526 0.33925995318748 32.065 > 4 15 S 0.40597541469310 0.56417499162526 0.83925995318748 32.065 > 4 16 S 0.90597541469310 0.56417499162526 0.83925995318748 32.065 > 4 17 S 0.40597541469310 0.93582500837474 0.33925995318748 32.065 > 5 18 S 0.90597541469310 0.93582500837474 0.33925995318748 32.065 > 5 19 S 0.40597541469310 0.93582500837474 0.83925995318748 32.065 > 5 20 S 0.90597541469310 0.93582500837474 0.83925995318748 32.065 > 5 21 S 0.34402458530690 0.06417499162526 0.08925995318748 32.065 > 6 22 S 0.84402458530690 0.06417499162526 0.08925995318748 32.065 > 6 23 S 0.34402458530690 0.06417499162526 0.58925995318748 32.065 > 6 24 S 0.84402458530690 0.06417499162526 0.58925995318748 32.065 > 6 25 S 0.15597541469310 0.56417499162526 0.41074004681252 32.065 > 7 26 S 0.65597541469310 0.56417499162526 0.41074004681252 32.065 > 7 27 S 0.15597541469310 0.56417499162526 0.91074004681252 32.065 > 7 28 S 0.65597541469310 0.56417499162526 0.91074004681252 32.065 > 7 29 S 0.09402458530690 0.43582500837474 0.16074004681252 32.065 > 8 30 S 0.59402458530690 0.43582500837474 0.16074004681252 32.065 > 8 31 S 0.09402458530690 0.43582500837474 0.66074004681252 32.065 > 8 32 S 0.59402458530690 0.43582500837474 0.66074004681252 32.065 > 8 *33 S 0.48329014157794 0.75000000000000 0.06347984481602 32.065 > 9 34 S 0.98329014157794 0.75000000000000 0.06347984481602 32.065 > 9 35 S 0.48329014157794 0.75000000000000 0.56347984481602 32.065 > 9 36 S 0.98329014157794 0.75000000000000 0.56347984481602 32.065 > 9 37 S 0.26670985842206 0.25000000000000 0.31347984481602 32.065 > 10 38 S 0.76670985842206 0.25000000000000 0.31347984481602 32.065 > 10 39 S 0.26670985842206 0.25000000000000 0.81347984481602 32.065 > 10 40 S 0.76670985842206 0.25000000000000 0.81347984481602 32.065 > 10 41 S 0.23329014157794 0.75000000000000 0.18652015518398 32.065 > 11 42 S 0.73329014157794 0.75000000000000 0.18652015518398 32.065 > 11 43 S 0.23329014157794 0.75000000000000 0.68652015518398 32.065 > 11 44 S 0.73329014157794 0.75000000000000 0.68652015518398 32.065 > 11 45 S 0.01670985842206 0.25000000000000 0.43652015518398 32.065 > 12 46 S 0.51670985842206 0.25000000000000 0.43652015518398 32.065 > 12 47 S 0.01670985842206 0.25000000000000 0.93652015518398 32.065 > 12 48 S 0.51670985842206 0.25000000000000 0.93652015518398 32.065 > 12 *49 Ca 0.04868106434956 0.75000000000000 0.26784710862660 40.078 > 13 50 Ca 0.54868106434956 0.75000000000000 0.26784710862660 40.078 > 13 51 Ca 0.04868106434956 0.75000000000000 0.76784710862660 40.078 > 13 52 Ca 0.54868106434956 0.75000000000000 0.76784710862660 40.078 > 13 53 Ca 0.20131893565044 0.25000000000000 0.01784710862660 40.078 > 14 54 Ca 0.70131893565044 0.25000000000000 0.01784710862660 40.078 > 14 55 Ca 0.20131893565044 0.25000000000000 0.51784710862660 40.078 > 14 56 Ca 0.70131893565044 0.25000000000000 0.51784710862660 40.078 > 14 57 Ca 0.29868106434956 0.75000000000000 0.48215289137340 40.078 > 15 58 Ca 0.79868106434956 0.75000000000000 0.48215289137340 40.078 > 15 59 Ca 0.29868106434956 0.75000000000000 0.98215289137340 40.078 > 15 60 Ca 0.79868106434956 0.75000000000000 0.98215289137340 40.078 > 15 61 Ca 0.45131893565044 0.25000000000000 0.23215289137340 40.078 > 16 62 Ca 0.95131893565044 0.25000000000000 0.23215289137340 40.078 > 16 63 Ca 0.45131893565044 0.25000000000000 0.73215289137340 40.078 > 16 64 Ca 0.95131893565044 0.25000000000000 0.73215289137340 40.078 > 16 *65 Zr 0.00000000000000 0.50000000000000 0.00000000000000 91.224 > 17 66 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 > 17 67 Zr 0.00000000000000 0.50000000000000 0.50000000000000 91.224 > 17 68 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 > 17 69 Zr 0.25000000000000 0.50000000000000 0.25000000000000 91.224 > 18 70 Zr 0.75000000000000 0.50000000000000 0.25000000000000 91.224 > 18 71 Zr 0.25000000000000 0.50000000000000 0.75000000000000 91.224 > 18 72 Zr 0.75000000000000 0.50000000000000 0.75000000000000 91.224 > 18 73 Zr 0.25000000000000 0.00000000000000 0.25000000000000 91.224 > 19 74 Zr 0.75000000000000 0.00000000000000 0.25000000000000 91.224 > 19 75 Zr 0.25000000000000 0.00000000000000 0.75000000000000 91.224 > 19 76 Zr 0.75000000000000 0.00000000000000 0.75000000000000 91.224 > 19 77 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 > 20 78 Zr 0.50000000000000 0.00000000000000 0.00000000000000 91.224 > 20 79 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 > 20 80 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.0250413 0.0000000 0.0000000 0.0000000 11.1846605 0.0000000 0.0000000 0.0000000 10.2444534 -------------------------- Born effective charges -------------------------- 1 S -4.6237267 0.1509928 -2.0203074 0.1571058 -2.0180521 -0.0220019 -1.9138326 0.0064451 -3.6574814 2 S -4.6237267 0.1509928 2.0203074 0.1571058 -2.0180521 0.0220019 1.9138326 -0.0064451 -3.6574814 3 S -4.6237267 -0.1509928 2.0203074 -0.1571058 -2.0180521 -0.0220019 1.9138326 0.0064451 -3.6574814 4 S -4.6237267 -0.1509928 -2.0203074 -0.1571058 -2.0180521 0.0220019 -1.9138326 -0.0064451 -3.6574814 5 S -4.6237267 0.1509928 -2.0203074 0.1571058 -2.0180521 -0.0220019 -1.9138326 0.0064451 -3.6574814 6 S -4.6237267 0.1509928 2.0203074 0.1571058 -2.0180521 0.0220019 1.9138326 -0.0064451 -3.6574814 7 S -4.6237267 -0.1509928 2.0203074 -0.1571058 -2.0180521 -0.0220019 1.9138326 0.0064451 -3.6574814 8 S -4.6237267 -0.1509928 -2.0203074 -0.1571058 -2.0180521 0.0220019 -1.9138326 -0.0064451 -3.6574814 9 S -1.8427870 0.0000000 -0.5225487 0.0000000 -6.2344745 0.0000000 -0.0444363 0.0000000 -2.3108807 10 S -1.8427870 0.0000000 0.5225487 0.0000000 -6.2344745 0.0000000 0.0444363 0.0000000 -2.3108807 11 S -1.8427870 0.0000000 0.5225487 0.0000000 -6.2344745 0.0000000 0.0444363 0.0000000 -2.3108807 12 S -1.8427870 0.0000000 -0.5225487 0.0000000 -6.2344745 0.0000000 -0.0444363 0.0000000 -2.3108807 13 Ca 2.6280937 0.0000000 -0.2041217 0.0000000 2.5841036 0.0000000 -0.1106584 0.0000000 2.4408441 14 Ca 2.6280937 0.0000000 0.2041217 0.0000000 2.5841036 0.0000000 0.1106584 0.0000000 2.4408441 15 Ca 2.6280937 0.0000000 0.2041217 0.0000000 2.5841036 0.0000000 0.1106584 0.0000000 2.4408441 16 Ca 2.6280937 0.0000000 -0.2041217 0.0000000 2.5841036 0.0000000 -0.1106584 0.0000000 2.4408441 17 Zr 8.4621467 -0.0979713 1.1539726 -0.4211097 7.6864751 1.1392201 -1.3899142 -1.7745713 7.1849995 18 Zr 8.4621467 -0.0979713 -1.1539726 -0.4211097 7.6864751 -1.1392201 1.3899142 1.7745713 7.1849995 19 Zr 8.4621467 0.0979713 -1.1539726 0.4211097 7.6864751 1.1392201 1.3899142 -1.7745713 7.1849995 20 Zr 8.4621467 0.0979713 1.1539726 0.4211097 7.6864751 -1.1392201 -1.3899142 1.7745713 7.1849995 ---------------------------------------------------------------------------- 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: 0.725 Solver_block: 200 / 320 - Time: 0.740 Solver_block: 300 / 320 - Time: 0.739 Solver_block: 320 / 320 - Time: 0.187 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.408 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zx) -0.00000000 (zx) 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 (zx) -0.00000000 (zx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:33:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:33:01]------------------------- 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 7.007113640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.514941699999998 0.000000000000000 c 0.000000000000000 0.000000000000000 6.442732430000000 Atomic positions (fractional): 1 S 0.18804917061381 0.06417499162526 0.32148009362504 32.065 2 S 0.31195082938619 0.93582500837474 0.82148009362504 32.065 3 S 0.68804917061381 0.43582500837474 0.17851990637496 32.065 4 S 0.81195082938619 0.56417499162526 0.67851990637496 32.065 5 S 0.81195082938619 0.93582500837474 0.67851990637496 32.065 6 S 0.68804917061381 0.06417499162526 0.17851990637496 32.065 7 S 0.31195082938619 0.56417499162526 0.82148009362504 32.065 8 S 0.18804917061381 0.43582500837474 0.32148009362504 32.065 9 S 0.96658028315588 0.75000000000000 0.12695968963203 32.065 10 S 0.53341971684412 0.25000000000000 0.62695968963203 32.065 11 S 0.46658028315588 0.75000000000000 0.37304031036796 32.065 12 S 0.03341971684412 0.25000000000000 0.87304031036797 32.065 13 Ca 0.09736212869912 0.75000000000000 0.53569421725321 40.078 14 Ca 0.40263787130088 0.25000000000000 0.03569421725321 40.078 15 Ca 0.59736212869912 0.75000000000000 0.96430578274679 40.078 16 Ca 0.90263787130088 0.25000000000000 0.46430578274679 40.078 17 Zr 0.00000000000000 0.50000000000000 0.00000000000000 91.224 18 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 19 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 20 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.014227280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.514941699999998 0.000000000000000 c 0.000000000000000 0.000000000000000 12.885464860000001 Atomic positions (fractional): 1 S 0.09402458530690 0.06417499162526 0.16074004681252 32.065 > 1 2 S 0.59402458530690 0.06417499162526 0.16074004681252 32.065 > 1 3 S 0.09402458530690 0.06417499162526 0.66074004681252 32.065 > 1 4 S 0.59402458530690 0.06417499162526 0.66074004681252 32.065 > 1 5 S 0.15597541469310 0.93582500837474 0.41074004681252 32.065 > 5 6 S 0.65597541469310 0.93582500837474 0.41074004681252 32.065 > 5 7 S 0.15597541469310 0.93582500837474 0.91074004681252 32.065 > 5 8 S 0.65597541469310 0.93582500837474 0.91074004681252 32.065 > 5 9 S 0.34402458530690 0.43582500837474 0.08925995318748 32.065 > 9 10 S 0.84402458530690 0.43582500837474 0.08925995318748 32.065 > 9 11 S 0.34402458530690 0.43582500837474 0.58925995318748 32.065 > 9 12 S 0.84402458530690 0.43582500837474 0.58925995318748 32.065 > 9 13 S 0.40597541469310 0.56417499162526 0.33925995318748 32.065 > 13 14 S 0.90597541469310 0.56417499162526 0.33925995318748 32.065 > 13 15 S 0.40597541469310 0.56417499162526 0.83925995318748 32.065 > 13 16 S 0.90597541469310 0.56417499162526 0.83925995318748 32.065 > 13 17 S 0.40597541469310 0.93582500837474 0.33925995318748 32.065 > 17 18 S 0.90597541469310 0.93582500837474 0.33925995318748 32.065 > 17 19 S 0.40597541469310 0.93582500837474 0.83925995318748 32.065 > 17 20 S 0.90597541469310 0.93582500837474 0.83925995318748 32.065 > 17 21 S 0.34402458530690 0.06417499162526 0.08925995318748 32.065 > 21 22 S 0.84402458530690 0.06417499162526 0.08925995318748 32.065 > 21 23 S 0.34402458530690 0.06417499162526 0.58925995318748 32.065 > 21 24 S 0.84402458530690 0.06417499162526 0.58925995318748 32.065 > 21 25 S 0.15597541469310 0.56417499162526 0.41074004681252 32.065 > 25 26 S 0.65597541469310 0.56417499162526 0.41074004681252 32.065 > 25 27 S 0.15597541469310 0.56417499162526 0.91074004681252 32.065 > 25 28 S 0.65597541469310 0.56417499162526 0.91074004681252 32.065 > 25 29 S 0.09402458530690 0.43582500837474 0.16074004681252 32.065 > 29 30 S 0.59402458530690 0.43582500837474 0.16074004681252 32.065 > 29 31 S 0.09402458530690 0.43582500837474 0.66074004681252 32.065 > 29 32 S 0.59402458530690 0.43582500837474 0.66074004681252 32.065 > 29 33 S 0.48329014157794 0.75000000000000 0.06347984481602 32.065 > 33 34 S 0.98329014157794 0.75000000000000 0.06347984481602 32.065 > 33 35 S 0.48329014157794 0.75000000000000 0.56347984481602 32.065 > 33 36 S 0.98329014157794 0.75000000000000 0.56347984481602 32.065 > 33 37 S 0.26670985842206 0.25000000000000 0.31347984481602 32.065 > 37 38 S 0.76670985842206 0.25000000000000 0.31347984481602 32.065 > 37 39 S 0.26670985842206 0.25000000000000 0.81347984481602 32.065 > 37 40 S 0.76670985842206 0.25000000000000 0.81347984481602 32.065 > 37 41 S 0.23329014157794 0.75000000000000 0.18652015518398 32.065 > 41 42 S 0.73329014157794 0.75000000000000 0.18652015518398 32.065 > 41 43 S 0.23329014157794 0.75000000000000 0.68652015518398 32.065 > 41 44 S 0.73329014157794 0.75000000000000 0.68652015518398 32.065 > 41 45 S 0.01670985842206 0.25000000000000 0.43652015518398 32.065 > 45 46 S 0.51670985842206 0.25000000000000 0.43652015518398 32.065 > 45 47 S 0.01670985842206 0.25000000000000 0.93652015518398 32.065 > 45 48 S 0.51670985842206 0.25000000000000 0.93652015518398 32.065 > 45 49 Ca 0.04868106434956 0.75000000000000 0.26784710862660 40.078 > 49 50 Ca 0.54868106434956 0.75000000000000 0.26784710862660 40.078 > 49 51 Ca 0.04868106434956 0.75000000000000 0.76784710862660 40.078 > 49 52 Ca 0.54868106434956 0.75000000000000 0.76784710862660 40.078 > 49 53 Ca 0.20131893565044 0.25000000000000 0.01784710862660 40.078 > 53 54 Ca 0.70131893565044 0.25000000000000 0.01784710862660 40.078 > 53 55 Ca 0.20131893565044 0.25000000000000 0.51784710862660 40.078 > 53 56 Ca 0.70131893565044 0.25000000000000 0.51784710862660 40.078 > 53 57 Ca 0.29868106434956 0.75000000000000 0.48215289137340 40.078 > 57 58 Ca 0.79868106434956 0.75000000000000 0.48215289137340 40.078 > 57 59 Ca 0.29868106434956 0.75000000000000 0.98215289137340 40.078 > 57 60 Ca 0.79868106434956 0.75000000000000 0.98215289137340 40.078 > 57 61 Ca 0.45131893565044 0.25000000000000 0.23215289137340 40.078 > 61 62 Ca 0.95131893565044 0.25000000000000 0.23215289137340 40.078 > 61 63 Ca 0.45131893565044 0.25000000000000 0.73215289137340 40.078 > 61 64 Ca 0.95131893565044 0.25000000000000 0.73215289137340 40.078 > 61 65 Zr 0.00000000000000 0.50000000000000 0.00000000000000 91.224 > 65 66 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 > 65 67 Zr 0.00000000000000 0.50000000000000 0.50000000000000 91.224 > 65 68 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 > 65 69 Zr 0.25000000000000 0.50000000000000 0.25000000000000 91.224 > 69 70 Zr 0.75000000000000 0.50000000000000 0.25000000000000 91.224 > 69 71 Zr 0.25000000000000 0.50000000000000 0.75000000000000 91.224 > 69 72 Zr 0.75000000000000 0.50000000000000 0.75000000000000 91.224 > 69 73 Zr 0.25000000000000 0.00000000000000 0.25000000000000 91.224 > 73 74 Zr 0.75000000000000 0.00000000000000 0.25000000000000 91.224 > 73 75 Zr 0.25000000000000 0.00000000000000 0.75000000000000 91.224 > 73 76 Zr 0.75000000000000 0.00000000000000 0.75000000000000 91.224 > 73 77 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 > 77 78 Zr 0.50000000000000 0.00000000000000 0.00000000000000 91.224 > 77 79 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 > 77 80 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.0250413 0.0000000 0.0000000 0.0000000 11.1846605 0.0000000 0.0000000 0.0000000 10.2444534 -------------------------- Born effective charges -------------------------- 1 S -4.6237267 0.1509928 -2.0203074 0.1571058 -2.0180521 -0.0220019 -1.9138326 0.0064451 -3.6574814 2 S -4.6237267 0.1509928 2.0203074 0.1571058 -2.0180521 0.0220019 1.9138326 -0.0064451 -3.6574814 3 S -4.6237267 -0.1509928 2.0203074 -0.1571058 -2.0180521 -0.0220019 1.9138326 0.0064451 -3.6574814 4 S -4.6237267 -0.1509928 -2.0203074 -0.1571058 -2.0180521 0.0220019 -1.9138326 -0.0064451 -3.6574814 5 S -4.6237267 0.1509928 -2.0203074 0.1571058 -2.0180521 -0.0220019 -1.9138326 0.0064451 -3.6574814 6 S -4.6237267 0.1509928 2.0203074 0.1571058 -2.0180521 0.0220019 1.9138326 -0.0064451 -3.6574814 7 S -4.6237267 -0.1509928 2.0203074 -0.1571058 -2.0180521 -0.0220019 1.9138326 0.0064451 -3.6574814 8 S -4.6237267 -0.1509928 -2.0203074 -0.1571058 -2.0180521 0.0220019 -1.9138326 -0.0064451 -3.6574814 9 S -1.8427870 0.0000000 -0.5225487 0.0000000 -6.2344745 0.0000000 -0.0444363 0.0000000 -2.3108807 10 S -1.8427870 0.0000000 0.5225487 0.0000000 -6.2344745 0.0000000 0.0444363 0.0000000 -2.3108807 11 S -1.8427870 0.0000000 0.5225487 0.0000000 -6.2344745 0.0000000 0.0444363 0.0000000 -2.3108807 12 S -1.8427870 0.0000000 -0.5225487 0.0000000 -6.2344745 0.0000000 -0.0444363 0.0000000 -2.3108807 13 Ca 2.6280937 0.0000000 -0.2041217 0.0000000 2.5841036 0.0000000 -0.1106584 0.0000000 2.4408441 14 Ca 2.6280937 0.0000000 0.2041217 0.0000000 2.5841036 0.0000000 0.1106584 0.0000000 2.4408441 15 Ca 2.6280937 0.0000000 0.2041217 0.0000000 2.5841036 0.0000000 0.1106584 0.0000000 2.4408441 16 Ca 2.6280937 0.0000000 -0.2041217 0.0000000 2.5841036 0.0000000 -0.1106584 0.0000000 2.4408441 17 Zr 8.4621467 -0.0979713 1.1539726 -0.4211097 7.6864751 1.1392201 -1.3899142 -1.7745713 7.1849995 18 Zr 8.4621467 -0.0979713 -1.1539726 -0.4211097 7.6864751 -1.1392201 1.3899142 1.7745713 7.1849995 19 Zr 8.4621467 0.0979713 -1.1539726 0.4211097 7.6864751 1.1392201 1.3899142 -1.7745713 7.1849995 20 Zr 8.4621467 0.0979713 1.1539726 0.4211097 7.6864751 -1.1392201 -1.3899142 1.7745713 7.1849995 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (xz) -0.00000003 (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 2026-01-07 22:33:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:33:12]------------------------- 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 7.007113640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.514941699999998 0.000000000000000 c 0.000000000000000 0.000000000000000 6.442732430000000 Atomic positions (fractional): 1 S 0.18804917061381 0.06417499162526 0.32148009362504 32.065 2 S 0.31195082938619 0.93582500837474 0.82148009362504 32.065 3 S 0.68804917061381 0.43582500837474 0.17851990637496 32.065 4 S 0.81195082938619 0.56417499162526 0.67851990637496 32.065 5 S 0.81195082938619 0.93582500837474 0.67851990637496 32.065 6 S 0.68804917061381 0.06417499162526 0.17851990637496 32.065 7 S 0.31195082938619 0.56417499162526 0.82148009362504 32.065 8 S 0.18804917061381 0.43582500837474 0.32148009362504 32.065 9 S 0.96658028315588 0.75000000000000 0.12695968963203 32.065 10 S 0.53341971684412 0.25000000000000 0.62695968963203 32.065 11 S 0.46658028315588 0.75000000000000 0.37304031036796 32.065 12 S 0.03341971684412 0.25000000000000 0.87304031036797 32.065 13 Ca 0.09736212869912 0.75000000000000 0.53569421725321 40.078 14 Ca 0.40263787130088 0.25000000000000 0.03569421725321 40.078 15 Ca 0.59736212869912 0.75000000000000 0.96430578274679 40.078 16 Ca 0.90263787130088 0.25000000000000 0.46430578274679 40.078 17 Zr 0.00000000000000 0.50000000000000 0.00000000000000 91.224 18 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 19 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 20 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.014227280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.514941699999998 0.000000000000000 c 0.000000000000000 0.000000000000000 12.885464860000001 Atomic positions (fractional): 1 S 0.09402458530690 0.06417499162526 0.16074004681252 32.065 > 1 2 S 0.59402458530690 0.06417499162526 0.16074004681252 32.065 > 1 3 S 0.09402458530690 0.06417499162526 0.66074004681252 32.065 > 1 4 S 0.59402458530690 0.06417499162526 0.66074004681252 32.065 > 1 5 S 0.15597541469310 0.93582500837474 0.41074004681252 32.065 > 5 6 S 0.65597541469310 0.93582500837474 0.41074004681252 32.065 > 5 7 S 0.15597541469310 0.93582500837474 0.91074004681252 32.065 > 5 8 S 0.65597541469310 0.93582500837474 0.91074004681252 32.065 > 5 9 S 0.34402458530690 0.43582500837474 0.08925995318748 32.065 > 9 10 S 0.84402458530690 0.43582500837474 0.08925995318748 32.065 > 9 11 S 0.34402458530690 0.43582500837474 0.58925995318748 32.065 > 9 12 S 0.84402458530690 0.43582500837474 0.58925995318748 32.065 > 9 13 S 0.40597541469310 0.56417499162526 0.33925995318748 32.065 > 13 14 S 0.90597541469310 0.56417499162526 0.33925995318748 32.065 > 13 15 S 0.40597541469310 0.56417499162526 0.83925995318748 32.065 > 13 16 S 0.90597541469310 0.56417499162526 0.83925995318748 32.065 > 13 17 S 0.40597541469310 0.93582500837474 0.33925995318748 32.065 > 17 18 S 0.90597541469310 0.93582500837474 0.33925995318748 32.065 > 17 19 S 0.40597541469310 0.93582500837474 0.83925995318748 32.065 > 17 20 S 0.90597541469310 0.93582500837474 0.83925995318748 32.065 > 17 21 S 0.34402458530690 0.06417499162526 0.08925995318748 32.065 > 21 22 S 0.84402458530690 0.06417499162526 0.08925995318748 32.065 > 21 23 S 0.34402458530690 0.06417499162526 0.58925995318748 32.065 > 21 24 S 0.84402458530690 0.06417499162526 0.58925995318748 32.065 > 21 25 S 0.15597541469310 0.56417499162526 0.41074004681252 32.065 > 25 26 S 0.65597541469310 0.56417499162526 0.41074004681252 32.065 > 25 27 S 0.15597541469310 0.56417499162526 0.91074004681252 32.065 > 25 28 S 0.65597541469310 0.56417499162526 0.91074004681252 32.065 > 25 29 S 0.09402458530690 0.43582500837474 0.16074004681252 32.065 > 29 30 S 0.59402458530690 0.43582500837474 0.16074004681252 32.065 > 29 31 S 0.09402458530690 0.43582500837474 0.66074004681252 32.065 > 29 32 S 0.59402458530690 0.43582500837474 0.66074004681252 32.065 > 29 33 S 0.48329014157794 0.75000000000000 0.06347984481602 32.065 > 33 34 S 0.98329014157794 0.75000000000000 0.06347984481602 32.065 > 33 35 S 0.48329014157794 0.75000000000000 0.56347984481602 32.065 > 33 36 S 0.98329014157794 0.75000000000000 0.56347984481602 32.065 > 33 37 S 0.26670985842206 0.25000000000000 0.31347984481602 32.065 > 37 38 S 0.76670985842206 0.25000000000000 0.31347984481602 32.065 > 37 39 S 0.26670985842206 0.25000000000000 0.81347984481602 32.065 > 37 40 S 0.76670985842206 0.25000000000000 0.81347984481602 32.065 > 37 41 S 0.23329014157794 0.75000000000000 0.18652015518398 32.065 > 41 42 S 0.73329014157794 0.75000000000000 0.18652015518398 32.065 > 41 43 S 0.23329014157794 0.75000000000000 0.68652015518398 32.065 > 41 44 S 0.73329014157794 0.75000000000000 0.68652015518398 32.065 > 41 45 S 0.01670985842206 0.25000000000000 0.43652015518398 32.065 > 45 46 S 0.51670985842206 0.25000000000000 0.43652015518398 32.065 > 45 47 S 0.01670985842206 0.25000000000000 0.93652015518398 32.065 > 45 48 S 0.51670985842206 0.25000000000000 0.93652015518398 32.065 > 45 49 Ca 0.04868106434956 0.75000000000000 0.26784710862660 40.078 > 49 50 Ca 0.54868106434956 0.75000000000000 0.26784710862660 40.078 > 49 51 Ca 0.04868106434956 0.75000000000000 0.76784710862660 40.078 > 49 52 Ca 0.54868106434956 0.75000000000000 0.76784710862660 40.078 > 49 53 Ca 0.20131893565044 0.25000000000000 0.01784710862660 40.078 > 53 54 Ca 0.70131893565044 0.25000000000000 0.01784710862660 40.078 > 53 55 Ca 0.20131893565044 0.25000000000000 0.51784710862660 40.078 > 53 56 Ca 0.70131893565044 0.25000000000000 0.51784710862660 40.078 > 53 57 Ca 0.29868106434956 0.75000000000000 0.48215289137340 40.078 > 57 58 Ca 0.79868106434956 0.75000000000000 0.48215289137340 40.078 > 57 59 Ca 0.29868106434956 0.75000000000000 0.98215289137340 40.078 > 57 60 Ca 0.79868106434956 0.75000000000000 0.98215289137340 40.078 > 57 61 Ca 0.45131893565044 0.25000000000000 0.23215289137340 40.078 > 61 62 Ca 0.95131893565044 0.25000000000000 0.23215289137340 40.078 > 61 63 Ca 0.45131893565044 0.25000000000000 0.73215289137340 40.078 > 61 64 Ca 0.95131893565044 0.25000000000000 0.73215289137340 40.078 > 61 65 Zr 0.00000000000000 0.50000000000000 0.00000000000000 91.224 > 65 66 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 > 65 67 Zr 0.00000000000000 0.50000000000000 0.50000000000000 91.224 > 65 68 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 > 65 69 Zr 0.25000000000000 0.50000000000000 0.25000000000000 91.224 > 69 70 Zr 0.75000000000000 0.50000000000000 0.25000000000000 91.224 > 69 71 Zr 0.25000000000000 0.50000000000000 0.75000000000000 91.224 > 69 72 Zr 0.75000000000000 0.50000000000000 0.75000000000000 91.224 > 69 73 Zr 0.25000000000000 0.00000000000000 0.25000000000000 91.224 > 73 74 Zr 0.75000000000000 0.00000000000000 0.25000000000000 91.224 > 73 75 Zr 0.25000000000000 0.00000000000000 0.75000000000000 91.224 > 73 76 Zr 0.75000000000000 0.00000000000000 0.75000000000000 91.224 > 73 77 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 > 77 78 Zr 0.50000000000000 0.00000000000000 0.00000000000000 91.224 > 77 79 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 > 77 80 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 12.0250413 0.0000000 0.0000000 0.0000000 11.1846605 0.0000000 0.0000000 0.0000000 10.2444534 -------------------------- Born effective charges -------------------------- 1 S -4.6237267 0.1509928 -2.0203074 0.1571058 -2.0180521 -0.0220019 -1.9138326 0.0064451 -3.6574814 2 S -4.6237267 0.1509928 2.0203074 0.1571058 -2.0180521 0.0220019 1.9138326 -0.0064451 -3.6574814 3 S -4.6237267 -0.1509928 2.0203074 -0.1571058 -2.0180521 -0.0220019 1.9138326 0.0064451 -3.6574814 4 S -4.6237267 -0.1509928 -2.0203074 -0.1571058 -2.0180521 0.0220019 -1.9138326 -0.0064451 -3.6574814 5 S -4.6237267 0.1509928 -2.0203074 0.1571058 -2.0180521 -0.0220019 -1.9138326 0.0064451 -3.6574814 6 S -4.6237267 0.1509928 2.0203074 0.1571058 -2.0180521 0.0220019 1.9138326 -0.0064451 -3.6574814 7 S -4.6237267 -0.1509928 2.0203074 -0.1571058 -2.0180521 -0.0220019 1.9138326 0.0064451 -3.6574814 8 S -4.6237267 -0.1509928 -2.0203074 -0.1571058 -2.0180521 0.0220019 -1.9138326 -0.0064451 -3.6574814 9 S -1.8427870 0.0000000 -0.5225487 0.0000000 -6.2344745 0.0000000 -0.0444363 0.0000000 -2.3108807 10 S -1.8427870 0.0000000 0.5225487 0.0000000 -6.2344745 0.0000000 0.0444363 0.0000000 -2.3108807 11 S -1.8427870 0.0000000 0.5225487 0.0000000 -6.2344745 0.0000000 0.0444363 0.0000000 -2.3108807 12 S -1.8427870 0.0000000 -0.5225487 0.0000000 -6.2344745 0.0000000 -0.0444363 0.0000000 -2.3108807 13 Ca 2.6280937 0.0000000 -0.2041217 0.0000000 2.5841036 0.0000000 -0.1106584 0.0000000 2.4408441 14 Ca 2.6280937 0.0000000 0.2041217 0.0000000 2.5841036 0.0000000 0.1106584 0.0000000 2.4408441 15 Ca 2.6280937 0.0000000 0.2041217 0.0000000 2.5841036 0.0000000 0.1106584 0.0000000 2.4408441 16 Ca 2.6280937 0.0000000 -0.2041217 0.0000000 2.5841036 0.0000000 -0.1106584 0.0000000 2.4408441 17 Zr 8.4621467 -0.0979713 1.1539726 -0.4211097 7.6864751 1.1392201 -1.3899142 -1.7745713 7.1849995 18 Zr 8.4621467 -0.0979713 -1.1539726 -0.4211097 7.6864751 -1.1392201 1.3899142 1.7745713 7.1849995 19 Zr 8.4621467 0.0979713 -1.1539726 0.4211097 7.6864751 1.1392201 1.3899142 -1.7745713 7.1849995 20 Zr 8.4621467 0.0979713 1.1539726 0.4211097 7.6864751 -1.1392201 -1.3899142 1.7745713 7.1849995 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) --------------------------- 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 ... [ 7 5 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: 0.55, Number of G-points: 307, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.972 ( 0.000 0.000 0.000) 0.000 1.287 ( 0.000 0.000 0.000) 0.000 1.491 ( 0.000 0.000 0.000) 0.000 1.837 ( 0.000 0.000 0.000) 0.000 2.292 ( 0.000 0.000 0.000) 0.000 2.459 ( 0.000 0.000 0.000) 0.000 2.500 ( 0.000 0.000 0.000) 0.000 2.757 ( 0.000 0.000 0.000) 0.000 2.993 ( 0.000 0.000 0.000) 0.000 3.191 ( 0.000 0.000 0.000) 0.000 3.416 ( 0.000 0.000 0.000) 0.000 3.507 ( 0.000 0.000 0.000) 0.000 3.558 ( 0.000 0.000 0.000) 0.000 3.728 ( 0.000 0.000 0.000) 0.000 3.909 ( 0.000 0.000 0.000) 0.000 4.058 ( 0.000 0.000 0.000) 0.000 4.134 ( 0.000 0.000 0.000) 0.000 4.202 ( 0.000 0.000 0.000) 0.000 4.420 ( 0.000 0.000 0.000) 0.000 4.425 ( 0.000 0.000 0.000) 0.000 4.458 ( 0.000 0.000 0.000) 0.000 4.551 ( 0.000 0.000 0.000) 0.000 4.645 ( 0.000 0.000 0.000) 0.000 4.834 ( 0.000 0.000 0.000) 0.000 4.883 ( 0.000 0.000 0.000) 0.000 5.050 ( 0.000 0.000 0.000) 0.000 5.332 ( 0.000 0.000 0.000) 0.000 5.413 ( 0.000 0.000 0.000) 0.000 6.086 ( 0.000 0.000 0.000) 0.000 6.152 ( 0.000 0.000 0.000) 0.000 6.269 ( 0.000 0.000 0.000) 0.000 6.351 ( 0.000 0.000 0.000) 0.000 6.477 ( 0.000 0.000 0.000) 0.000 6.657 ( 0.000 0.000 0.000) 0.000 6.770 ( 0.000 0.000 0.000) 0.000 6.829 ( 0.000 0.000 0.000) 0.000 6.947 ( 0.000 0.000 0.000) 0.000 7.115 ( 0.000 0.000 0.000) 0.000 7.235 ( 0.000 0.000 0.000) 0.000 7.500 ( 0.000 0.000 0.000) 0.000 7.609 ( 0.000 0.000 0.000) 0.000 7.706 ( 0.000 0.000 0.000) 0.000 7.841 ( 0.000 0.000 0.000) 0.000 7.846 ( 0.000 0.000 0.000) 0.000 8.082 ( 0.000 0.000 0.000) 0.000 8.235 ( 0.000 0.000 0.000) 0.000 8.378 ( 0.000 0.000 0.000) 0.000 8.467 ( 0.000 0.000 0.000) 0.000 8.684 ( 0.000 0.000 0.000) 0.000 8.757 ( 0.000 0.000 0.000) 0.000 8.759 ( 0.000 0.000 0.000) 0.000 9.156 ( 0.000 0.000 0.000) 0.000 9.169 ( 0.000 0.000 0.000) 0.000 9.337 ( 0.000 0.000 0.000) 0.000 11.290 ( 0.000 0.000 0.000) 0.000 11.622 ( 0.000 0.000 0.000) 0.000 12.107 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 33.331 0.000 0.000) 33.331 0.723 ( 32.600 0.000 0.000) 32.600 1.162 ( 15.486 0.000 0.000) 15.486 1.359 ( 65.068 0.000 0.000) 65.068 1.655 ( 14.189 0.000 0.000) 14.189 1.908 ( 46.025 0.000 0.000) 46.025 2.162 ( 26.758 0.000 0.000) 26.758 2.460 ( 3.683 0.000 0.000) 3.683 2.496 ( -0.179 0.000 0.000) 0.179 2.659 ( -8.669 0.000 0.000) 8.669 2.776 ( -10.562 0.000 0.000) 10.562 3.098 ( 8.752 0.000 0.000) 8.752 3.314 ( -14.026 0.000 0.000) 14.026 3.389 ( -11.692 0.000 0.000) 11.692 3.560 ( 12.065 0.000 0.000) 12.065 3.775 ( 4.008 0.000 0.000) 4.008 3.832 ( -4.798 0.000 0.000) 4.798 4.002 ( 3.183 0.000 0.000) 3.183 4.092 ( 1.681 0.000 0.000) 1.681 4.134 ( -0.553 0.000 0.000) 0.553 4.197 ( -4.298 0.000 0.000) 4.298 4.320 ( -6.178 0.000 0.000) 6.178 4.488 ( 4.563 0.000 0.000) 4.563 4.550 ( 4.606 0.000 0.000) 4.606 4.596 ( 7.390 0.000 0.000) 7.390 4.832 ( 12.475 0.000 0.000) 12.475 4.866 ( 5.786 0.000 0.000) 5.786 5.010 ( 11.356 0.000 0.000) 11.356 5.130 ( 6.800 0.000 0.000) 6.800 5.361 ( 2.486 0.000 0.000) 2.486 5.433 ( 1.369 0.000 0.000) 1.369 6.034 ( -4.889 0.000 0.000) 4.889 6.243 ( -0.901 0.000 0.000) 0.901 6.253 ( -3.245 0.000 0.000) 3.245 6.286 ( -5.777 0.000 0.000) 5.777 6.662 ( 0.010 0.000 0.000) 0.010 6.729 ( -4.184 0.000 0.000) 4.184 6.808 ( -2.006 0.000 0.000) 2.006 6.894 ( -5.007 0.000 0.000) 5.007 7.049 ( -6.426 0.000 0.000) 6.426 7.109 ( -9.357 0.000 0.000) 9.357 7.237 ( -7.552 0.000 0.000) 7.552 7.478 ( -2.061 0.000 0.000) 2.061 7.495 ( -8.383 0.000 0.000) 8.383 7.806 ( 5.527 0.000 0.000) 5.527 7.836 ( 1.462 0.000 0.000) 1.462 7.918 ( 3.839 0.000 0.000) 3.839 8.332 ( 9.274 0.000 0.000) 9.274 8.333 ( -1.859 0.000 0.000) 1.859 8.411 ( 3.143 0.000 0.000) 3.143 8.687 ( 0.312 0.000 0.000) 0.312 8.766 ( 0.833 0.000 0.000) 0.833 8.780 ( 2.532 0.000 0.000) 2.532 9.148 ( -0.943 0.000 0.000) 0.943 9.183 ( 0.955 0.000 0.000) 0.955 9.339 ( -0.127 0.000 0.000) 0.127 11.334 ( 4.422 0.000 0.000) 4.422 11.660 ( 3.342 0.000 0.000) 3.342 11.730 ( 1.721 0.000 0.000) 1.721 12.111 ( 0.020 0.000 0.000) 0.020 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 22.794 0.000 0.000) 22.794 1.329 ( 26.733 0.000 0.000) 26.733 1.502 ( 16.480 0.000 0.000) 16.480 1.980 ( 15.779 0.000 0.000) 15.779 2.362 ( -6.845 0.000 0.000) 6.845 2.442 ( 10.588 0.000 0.000) 10.588 2.451 ( -10.449 0.000 0.000) 10.449 2.466 ( -18.582 0.000 0.000) 18.582 2.604 ( 53.660 0.000 0.000) 53.660 2.703 ( 9.226 0.000 0.000) 9.226 3.005 ( 39.760 0.000 0.000) 39.760 3.079 ( -6.245 0.000 0.000) 6.245 3.291 ( 9.454 0.000 0.000) 9.454 3.333 ( 13.092 0.000 0.000) 13.092 3.701 ( -7.528 0.000 0.000) 7.528 3.740 ( 2.761 0.000 0.000) 2.761 3.943 ( 13.299 0.000 0.000) 13.299 4.045 ( -5.717 0.000 0.000) 5.717 4.096 ( 2.652 0.000 0.000) 2.652 4.097 ( -1.831 0.000 0.000) 1.831 4.130 ( 3.579 0.000 0.000) 3.579 4.259 ( 1.534 0.000 0.000) 1.534 4.533 ( -4.505 0.000 0.000) 4.505 4.606 ( 6.120 0.000 0.000) 6.120 4.758 ( 6.200 0.000 0.000) 6.200 5.111 ( 13.588 0.000 0.000) 13.588 5.119 ( 16.624 0.000 0.000) 16.624 5.172 ( -2.653 0.000 0.000) 2.653 5.285 ( 7.707 0.000 0.000) 7.707 5.447 ( -0.051 0.000 0.000) 0.051 5.491 ( 13.295 0.000 0.000) 13.295 5.891 ( -9.568 0.000 0.000) 9.568 6.039 ( -17.786 0.000 0.000) 17.786 6.161 ( -5.097 0.000 0.000) 5.097 6.172 ( -7.597 0.000 0.000) 7.597 6.608 ( -6.623 0.000 0.000) 6.623 6.656 ( 0.208 0.000 0.000) 0.208 6.752 ( -8.864 0.000 0.000) 8.864 6.755 ( -2.680 0.000 0.000) 2.680 6.861 ( -11.560 0.000 0.000) 11.560 6.986 ( -1.858 0.000 0.000) 1.858 7.077 ( -6.896 0.000 0.000) 6.896 7.342 ( -5.325 0.000 0.000) 5.325 7.422 ( -3.316 0.000 0.000) 3.316 7.891 ( 3.840 0.000 0.000) 3.840 7.899 ( 3.547 0.000 0.000) 3.547 7.975 ( 1.633 0.000 0.000) 1.633 8.266 ( -4.785 0.000 0.000) 4.785 8.496 ( 4.795 0.000 0.000) 4.795 8.570 ( 10.922 0.000 0.000) 10.922 8.710 ( 3.669 0.000 0.000) 3.669 8.803 ( 2.947 0.000 0.000) 2.947 8.869 ( 6.279 0.000 0.000) 6.279 9.108 ( -3.233 0.000 0.000) 3.233 9.184 ( -1.396 0.000 0.000) 1.396 9.309 ( -3.282 0.000 0.000) 3.282 11.479 ( 9.898 0.000 0.000) 9.898 11.739 ( 3.888 0.000 0.000) 3.888 11.774 ( 2.243 0.000 0.000) 2.243 12.083 ( -3.448 0.000 0.000) 3.448 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 18.095 0.000 0.000) 18.095 1.769 ( 15.400 0.000 0.000) 15.400 1.799 ( 11.399 0.000 0.000) 11.399 2.069 ( -19.369 0.000 0.000) 19.369 2.129 ( -5.237 0.000 0.000) 5.237 2.164 ( -10.355 0.000 0.000) 10.355 2.405 ( 10.805 0.000 0.000) 10.805 2.644 ( -9.598 0.000 0.000) 9.598 2.670 ( 11.163 0.000 0.000) 11.163 2.862 ( -7.429 0.000 0.000) 7.429 3.426 ( 6.296 0.000 0.000) 6.296 3.541 ( -2.054 0.000 0.000) 2.054 3.575 ( 13.335 0.000 0.000) 13.335 3.598 ( 19.574 0.000 0.000) 19.574 3.666 ( 9.606 0.000 0.000) 9.606 3.747 ( -1.119 0.000 0.000) 1.119 3.940 ( 1.951 0.000 0.000) 1.951 4.074 ( -2.937 0.000 0.000) 2.937 4.202 ( 10.780 0.000 0.000) 10.780 4.229 ( 11.316 0.000 0.000) 11.316 4.321 ( 7.848 0.000 0.000) 7.848 4.410 ( 7.807 0.000 0.000) 7.807 4.465 ( 7.135 0.000 0.000) 7.135 4.671 ( 0.053 0.000 0.000) 0.053 4.785 ( -4.548 0.000 0.000) 4.548 4.898 ( -21.596 0.000 0.000) 21.596 5.327 ( 5.393 0.000 0.000) 5.393 5.393 ( -0.629 0.000 0.000) 0.629 5.466 ( 16.099 0.000 0.000) 16.099 5.472 ( 5.047 0.000 0.000) 5.047 5.609 ( -9.901 0.000 0.000) 9.901 5.689 ( -1.605 0.000 0.000) 1.605 5.772 ( -5.320 0.000 0.000) 5.320 5.917 ( -15.131 0.000 0.000) 15.131 6.184 ( 11.004 0.000 0.000) 11.004 6.505 ( -16.008 0.000 0.000) 16.008 6.533 ( 0.771 0.000 0.000) 0.771 6.637 ( -8.611 0.000 0.000) 8.611 6.678 ( 1.567 0.000 0.000) 1.567 6.712 ( -1.752 0.000 0.000) 1.752 6.980 ( 0.127 0.000 0.000) 0.127 6.990 ( -1.641 0.000 0.000) 1.641 7.300 ( 0.849 0.000 0.000) 0.849 7.351 ( -3.434 0.000 0.000) 3.434 7.953 ( 1.800 0.000 0.000) 1.800 7.969 ( 1.167 0.000 0.000) 1.167 8.012 ( 4.676 0.000 0.000) 4.676 8.143 ( -6.884 0.000 0.000) 6.884 8.587 ( 3.674 0.000 0.000) 3.674 8.637 ( -1.033 0.000 0.000) 1.033 8.889 ( 5.378 0.000 0.000) 5.378 8.911 ( 10.865 0.000 0.000) 10.865 9.018 ( -4.769 0.000 0.000) 4.769 9.028 ( 8.753 0.000 0.000) 8.753 9.109 ( -6.282 0.000 0.000) 6.282 9.199 ( -7.379 0.000 0.000) 7.379 11.719 ( 12.671 0.000 0.000) 12.671 11.800 ( 1.805 0.000 0.000) 1.805 11.809 ( 0.868 0.000 0.000) 0.868 11.953 ( -9.389 0.000 0.000) 9.389 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 0.000 22.654 0.000) 22.654 0.705 ( 0.000 32.063 0.000) 32.063 1.126 ( 0.000 7.078 0.000) 7.078 1.332 ( 0.000 55.172 0.000) 55.172 1.406 ( 0.000 10.617 0.000) 10.617 1.647 ( 0.000 5.826 0.000) 5.826 1.859 ( 0.000 1.640 0.000) 1.640 2.217 ( 0.000 -6.511 0.000) 6.511 2.563 ( 0.000 9.497 0.000) 9.497 2.582 ( 0.000 -16.380 0.000) 16.380 2.801 ( 0.000 23.071 0.000) 23.071 2.991 ( 0.000 0.615 0.000) 0.615 3.152 ( 0.000 0.008 0.000) 0.008 3.493 ( 0.000 -5.772 0.000) 5.772 3.579 ( 0.000 9.286 0.000) 9.286 3.643 ( 0.000 5.065 0.000) 5.065 3.837 ( 0.000 -5.572 0.000) 5.572 4.014 ( 0.000 -1.693 0.000) 1.693 4.088 ( 0.000 -3.727 0.000) 3.727 4.101 ( 0.000 -6.339 0.000) 6.339 4.294 ( 0.000 -9.875 0.000) 9.875 4.310 ( 0.000 -2.792 0.000) 2.792 4.477 ( 0.000 -5.666 0.000) 5.666 4.564 ( 0.000 10.672 0.000) 10.672 4.629 ( 0.000 -1.808 0.000) 1.808 4.851 ( 0.000 -2.258 0.000) 2.258 4.885 ( 0.000 12.406 0.000) 12.406 4.996 ( 0.000 10.373 0.000) 10.373 5.183 ( 0.000 9.347 0.000) 9.347 5.346 ( 0.000 -1.326 0.000) 1.326 5.917 ( 0.000 8.941 0.000) 8.941 6.090 ( 0.000 0.920 0.000) 0.920 6.144 ( 0.000 -12.219 0.000) 12.219 6.168 ( 0.000 1.367 0.000) 1.367 6.343 ( 0.000 -3.844 0.000) 3.844 6.409 ( 0.000 -3.840 0.000) 3.840 6.565 ( 0.000 -8.461 0.000) 8.461 6.732 ( 0.000 -7.629 0.000) 7.629 6.981 ( 0.000 2.595 0.000) 2.595 7.162 ( 0.000 4.183 0.000) 4.183 7.201 ( 0.000 -2.778 0.000) 2.778 7.348 ( 0.000 7.178 0.000) 7.178 7.493 ( 0.000 -0.335 0.000) 0.335 7.571 ( 0.000 -3.285 0.000) 3.285 7.649 ( 0.000 -4.624 0.000) 4.624 7.748 ( 0.000 -7.709 0.000) 7.709 7.792 ( 0.000 -4.443 0.000) 4.443 7.970 ( 0.000 -9.608 0.000) 9.608 8.284 ( 0.000 2.998 0.000) 2.998 8.444 ( 0.000 -1.726 0.000) 1.726 8.473 ( 0.000 7.516 0.000) 7.516 8.742 ( 0.000 -1.308 0.000) 1.308 8.790 ( 0.000 3.082 0.000) 3.082 9.140 ( 0.000 -2.847 0.000) 2.847 9.174 ( 0.000 1.650 0.000) 1.650 9.320 ( 0.000 -1.550 0.000) 1.550 11.366 ( 0.000 6.487 0.000) 6.487 11.653 ( 0.000 3.002 0.000) 3.002 11.769 ( 0.000 -3.000 0.000) 3.000 12.048 ( 0.000 -5.372 0.000) 5.372 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 23.946 12.873 0.000) 27.187 1.143 ( 27.346 22.369 0.000) 35.329 1.284 ( 14.246 5.863 0.000) 15.405 1.703 ( 12.395 3.741 0.000) 12.948 1.810 ( 40.735 39.824 0.000) 56.967 1.968 ( 42.653 4.253 0.000) 42.864 2.146 ( 21.773 -0.274 0.000) 21.775 2.447 ( -10.070 -15.657 0.000) 18.616 2.542 ( 12.243 -14.930 0.000) 19.308 2.567 ( 5.090 8.939 0.000) 10.287 2.782 ( -1.862 21.787 0.000) 21.867 3.058 ( 3.909 -2.217 0.000) 4.494 3.253 ( -2.948 -3.998 0.000) 4.968 3.381 ( -7.985 -1.135 0.000) 8.066 3.389 ( -4.929 -0.640 0.000) 4.970 3.658 ( 7.091 4.179 0.000) 8.231 3.972 ( 4.058 -0.712 0.000) 4.119 4.061 ( 2.554 -1.896 0.000) 3.181 4.100 ( 0.555 -7.035 0.000) 7.057 4.134 ( 3.019 3.331 0.000) 4.495 4.199 ( -1.506 -0.973 0.000) 1.793 4.447 ( -2.240 -1.257 0.000) 2.569 4.534 ( 9.411 0.877 0.000) 9.452 4.623 ( 8.335 6.016 0.000) 10.280 4.721 ( 7.372 0.127 0.000) 7.373 4.788 ( -2.046 14.151 0.000) 14.298 4.932 ( -3.502 8.406 0.000) 9.107 4.977 ( 10.041 -2.451 0.000) 10.336 5.249 ( 4.945 7.723 0.000) 9.171 5.355 ( 1.822 1.696 0.000) 2.489 5.637 ( -4.050 14.357 0.000) 14.918 6.029 ( -5.540 -0.498 0.000) 5.562 6.143 ( -1.878 -10.081 0.000) 10.254 6.187 ( -3.082 -3.219 0.000) 4.456 6.322 ( -4.224 2.396 0.000) 4.857 6.546 ( -1.903 -10.060 0.000) 10.238 6.578 ( 2.176 -10.665 0.000) 10.885 6.752 ( 0.047 -9.583 0.000) 9.583 6.945 ( -3.973 2.370 0.000) 4.626 7.065 ( -10.812 -1.141 0.000) 10.872 7.100 ( -5.422 2.977 0.000) 6.185 7.256 ( -7.692 4.119 0.000) 8.725 7.463 ( -8.645 -2.520 0.000) 9.005 7.475 ( -1.913 -0.333 0.000) 1.942 7.740 ( 7.266 -3.999 0.000) 8.294 7.756 ( 1.602 -6.625 0.000) 6.816 7.852 ( 3.851 -5.230 0.000) 6.495 8.150 ( 5.531 -14.186 0.000) 15.226 8.366 ( 8.261 2.625 0.000) 8.668 8.500 ( 2.620 7.099 0.000) 7.567 8.550 ( 8.232 -5.358 0.000) 9.822 8.766 ( 2.441 -1.220 0.000) 2.729 8.800 ( 1.093 3.177 0.000) 3.359 9.152 ( 0.822 -3.006 0.000) 3.116 9.161 ( -1.200 1.586 0.000) 1.989 9.324 ( -0.123 -1.714 0.000) 1.718 11.394 ( 3.208 5.407 0.000) 6.287 11.688 ( 3.069 2.758 0.000) 4.126 11.721 ( -1.432 -1.717 0.000) 2.236 12.056 ( 0.398 -5.027 0.000) 5.042 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 16.529 4.250 0.000) 17.067 1.630 ( 18.777 5.094 0.000) 19.456 1.676 ( 24.694 19.818 0.000) 31.663 1.932 ( 9.116 -0.613 0.000) 9.136 2.198 ( -11.614 -10.381 0.000) 15.577 2.359 ( 0.743 -0.262 0.000) 0.788 2.630 ( -4.025 3.101 0.000) 5.081 2.639 ( 7.688 10.968 0.000) 13.394 2.771 ( 3.292 10.612 0.000) 11.111 2.805 ( 46.585 16.121 0.000) 49.296 2.886 ( 17.724 -11.506 0.000) 21.131 2.986 ( -9.383 -5.614 0.000) 10.934 3.235 ( 22.521 4.975 0.000) 23.063 3.376 ( -0.372 -8.426 0.000) 8.435 3.506 ( 17.443 6.405 0.000) 18.581 3.841 ( 6.624 1.828 0.000) 6.872 3.980 ( 0.104 -0.639 0.000) 0.647 4.068 ( -0.252 -3.909 0.000) 3.917 4.135 ( 3.839 -7.173 0.000) 8.135 4.211 ( 4.594 8.788 0.000) 9.917 4.254 ( 5.856 14.018 0.000) 15.193 4.377 ( -2.694 18.007 0.000) 18.208 4.658 ( 4.090 7.680 0.000) 8.701 4.732 ( -0.564 10.876 0.000) 10.891 4.815 ( 3.738 6.888 0.000) 7.837 4.973 ( 13.306 -10.265 0.000) 16.805 5.050 ( 15.773 -3.931 0.000) 16.255 5.106 ( -0.753 -4.296 0.000) 4.361 5.356 ( 5.095 3.947 0.000) 6.445 5.490 ( 11.072 3.009 0.000) 11.474 5.607 ( -1.815 9.745 0.000) 9.912 5.873 ( -9.657 -1.463 0.000) 9.767 5.971 ( -15.740 -5.895 0.000) 16.808 6.073 ( -7.501 -5.515 0.000) 9.310 6.228 ( -5.069 2.900 0.000) 5.840 6.516 ( -0.099 -11.785 0.000) 11.785 6.532 ( -4.345 -5.825 0.000) 7.267 6.705 ( -3.731 -8.862 0.000) 9.615 6.791 ( -10.124 0.341 0.000) 10.130 6.830 ( -12.195 -2.800 0.000) 12.513 7.024 ( -1.471 4.705 0.000) 4.930 7.096 ( -6.761 2.946 0.000) 7.375 7.305 ( -5.478 -2.850 0.000) 6.174 7.415 ( -3.779 -1.058 0.000) 3.924 7.815 ( 4.169 -5.985 0.000) 7.294 7.860 ( 4.189 -2.544 0.000) 4.901 7.912 ( 1.865 -4.895 0.000) 5.238 8.157 ( -3.142 -9.147 0.000) 9.672 8.573 ( 4.224 6.328 0.000) 7.608 8.588 ( 10.777 1.422 0.000) 10.870 8.688 ( 6.440 -1.702 0.000) 6.661 8.830 ( 3.126 1.945 0.000) 3.682 8.859 ( 5.667 -0.310 0.000) 5.675 9.121 ( -2.928 1.480 0.000) 3.281 9.154 ( -1.154 -2.936 0.000) 3.154 9.293 ( -3.317 -1.691 0.000) 3.723 11.511 ( 8.406 2.868 0.000) 8.882 11.737 ( 2.335 -2.921 0.000) 3.739 11.758 ( 3.203 1.889 0.000) 3.718 12.039 ( -2.654 -3.958 0.000) 4.765 ======================= Grid point 10 (8/60) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 12.446 -2.013 0.000) 12.608 1.850 ( -12.637 -7.109 0.000) 14.499 2.006 ( 17.060 4.237 0.000) 17.579 2.089 ( 12.397 20.696 0.000) 24.124 2.218 ( 9.068 -13.850 0.000) 16.554 2.285 ( -6.217 7.346 0.000) 9.624 2.421 ( -10.132 16.434 0.000) 19.307 2.563 ( -10.953 4.332 0.000) 11.778 2.797 ( 3.581 6.269 0.000) 7.220 2.864 ( -2.602 -1.589 0.000) 3.049 3.155 ( 7.135 -15.389 0.000) 16.963 3.258 ( -3.121 -16.264 0.000) 16.561 3.637 ( 10.921 4.527 0.000) 11.822 3.654 ( 15.544 5.379 0.000) 16.449 3.852 ( 7.550 6.514 0.000) 9.972 3.883 ( 1.450 5.660 0.000) 5.842 4.071 ( 11.847 7.246 0.000) 13.887 4.133 ( 6.914 5.197 0.000) 8.650 4.329 ( 3.227 11.370 0.000) 11.819 4.342 ( 12.472 -1.498 0.000) 12.562 4.371 ( 4.711 13.505 0.000) 14.303 4.393 ( 5.141 9.796 0.000) 11.063 4.647 ( 2.663 12.677 0.000) 12.953 4.784 ( 0.799 9.295 0.000) 9.329 4.825 ( -3.894 3.691 0.000) 5.365 4.922 ( -15.066 2.884 0.000) 15.340 5.227 ( 8.920 -9.447 0.000) 12.993 5.346 ( -0.369 -4.718 0.000) 4.732 5.425 ( 10.577 -3.803 0.000) 11.240 5.521 ( -0.519 4.992 0.000) 5.019 5.636 ( -8.550 2.313 0.000) 8.857 5.669 ( -3.087 -1.866 0.000) 3.607 5.723 ( -3.046 -3.842 0.000) 4.903 5.863 ( -12.178 -4.300 0.000) 12.915 6.212 ( 8.122 2.289 0.000) 8.439 6.488 ( 1.300 -3.906 0.000) 4.117 6.492 ( -12.123 -1.355 0.000) 12.199 6.546 ( -4.580 -9.288 0.000) 10.356 6.635 ( -2.657 -9.357 0.000) 9.727 6.640 ( -5.313 -3.755 0.000) 6.506 7.010 ( -0.406 3.374 0.000) 3.398 7.013 ( -1.402 2.749 0.000) 3.086 7.266 ( 1.361 -2.982 0.000) 3.278 7.330 ( -4.183 -2.236 0.000) 4.743 7.916 ( 1.518 -2.821 0.000) 3.204 7.923 ( 6.188 -5.759 0.000) 8.453 7.930 ( 0.093 -4.123 0.000) 4.124 8.056 ( -6.282 -6.979 0.000) 9.390 8.651 ( 2.920 5.450 0.000) 6.183 8.679 ( 0.387 3.529 0.000) 3.550 8.891 ( 9.947 -1.860 0.000) 10.119 8.911 ( 4.768 1.758 0.000) 5.082 9.000 ( 6.375 -2.256 0.000) 6.762 9.039 ( -4.642 1.865 0.000) 5.002 9.098 ( -3.334 -1.201 0.000) 3.543 9.186 ( -6.903 -1.275 0.000) 7.019 11.718 ( 10.794 0.023 0.000) 10.794 11.789 ( 2.424 -1.575 0.000) 2.891 11.799 ( 0.591 0.187 0.000) 0.620 11.930 ( -8.086 -2.085 0.000) 8.351 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 0.000 13.845 0.000) 13.845 1.135 ( 0.000 -5.604 0.000) 5.604 1.311 ( 0.000 24.263 0.000) 24.263 1.617 ( 0.000 -3.399 0.000) 3.399 1.669 ( 0.000 12.299 0.000) 12.299 1.850 ( 0.000 -4.065 0.000) 4.065 2.072 ( 0.000 -5.269 0.000) 5.269 2.102 ( 0.000 -5.321 0.000) 5.321 2.608 ( 0.000 35.872 0.000) 35.872 2.818 ( 0.000 13.221 0.000) 13.221 3.011 ( 0.000 -1.980 0.000) 1.980 3.133 ( 0.000 7.963 0.000) 7.963 3.170 ( 0.000 -5.791 0.000) 5.791 3.327 ( 0.000 -9.725 0.000) 9.725 3.478 ( 0.000 -10.594 0.000) 10.594 3.551 ( 0.000 -9.585 0.000) 9.585 3.934 ( 0.000 11.610 0.000) 11.610 3.954 ( 0.000 -3.539 0.000) 3.539 3.985 ( 0.000 -4.352 0.000) 4.352 4.117 ( 0.000 -1.881 0.000) 1.881 4.232 ( 0.000 5.906 0.000) 5.906 4.311 ( 0.000 -0.393 0.000) 0.393 4.396 ( 0.000 2.343 0.000) 2.343 4.540 ( 0.000 -7.077 0.000) 7.077 4.845 ( 0.000 2.623 0.000) 2.623 4.918 ( 0.000 22.542 0.000) 22.542 4.942 ( 0.000 -4.849 0.000) 4.849 5.154 ( 0.000 2.541 0.000) 2.541 5.357 ( 0.000 7.933 0.000) 7.933 5.588 ( 0.000 21.802 0.000) 21.802 5.736 ( 0.000 -25.428 0.000) 25.428 6.056 ( 0.000 -19.413 0.000) 19.413 6.098 ( 0.000 7.304 0.000) 7.304 6.158 ( 0.000 6.110 0.000) 6.110 6.193 ( 0.000 -1.652 0.000) 1.652 6.344 ( 0.000 -10.925 0.000) 10.925 6.428 ( 0.000 3.865 0.000) 3.865 6.559 ( 0.000 -7.992 0.000) 7.992 7.042 ( 0.000 3.298 0.000) 3.298 7.121 ( 0.000 -4.027 0.000) 4.027 7.296 ( 0.000 7.680 0.000) 7.680 7.456 ( 0.000 -5.622 0.000) 5.622 7.489 ( 0.000 2.970 0.000) 2.970 7.504 ( 0.000 -1.975 0.000) 1.975 7.583 ( 0.000 2.354 0.000) 2.354 7.621 ( 0.000 -0.812 0.000) 0.812 7.687 ( 0.000 -4.971 0.000) 4.971 7.748 ( 0.000 -10.195 0.000) 10.195 8.350 ( 0.000 2.980 0.000) 2.980 8.404 ( 0.000 -2.166 0.000) 2.166 8.622 ( 0.000 5.537 0.000) 5.537 8.702 ( 0.000 -2.568 0.000) 2.568 8.897 ( 0.000 6.907 0.000) 6.907 9.045 ( 0.000 -6.220 0.000) 6.220 9.220 ( 0.000 2.573 0.000) 2.573 9.276 ( 0.000 -2.527 0.000) 2.527 11.526 ( 0.000 7.926 0.000) 7.926 11.675 ( 0.000 -5.952 0.000) 5.952 11.751 ( 0.000 6.226 0.000) 6.226 11.903 ( 0.000 -7.729 0.000) 7.729 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 16.846 11.196 0.000) 20.227 1.311 ( 14.084 -3.257 0.000) 14.456 1.541 ( 15.866 16.101 0.000) 22.604 1.758 ( 12.151 -1.780 0.000) 12.280 2.043 ( 29.366 3.737 0.000) 29.603 2.128 ( 22.412 -3.015 0.000) 22.614 2.145 ( 2.397 -6.137 0.000) 6.588 2.220 ( 13.408 -8.758 0.000) 16.015 2.767 ( 15.448 34.583 0.000) 37.877 2.792 ( 0.434 11.735 0.000) 11.743 2.995 ( -1.792 -5.510 0.000) 5.794 3.151 ( 2.848 11.572 0.000) 11.918 3.201 ( -2.479 -5.222 0.000) 5.781 3.335 ( 2.967 -5.414 0.000) 6.173 3.375 ( -5.824 1.817 0.000) 6.100 3.588 ( 7.002 -12.678 0.000) 14.483 3.948 ( 0.337 -3.625 0.000) 3.640 3.976 ( 0.176 -4.911 0.000) 4.914 3.990 ( 2.890 6.172 0.000) 6.815 4.157 ( 2.832 -6.234 0.000) 6.847 4.369 ( 12.288 10.533 0.000) 16.184 4.434 ( 5.529 5.970 0.000) 8.137 4.498 ( 14.751 -2.914 0.000) 15.036 4.595 ( 5.356 -7.415 0.000) 9.147 4.917 ( 0.191 20.244 0.000) 20.245 4.946 ( 7.852 0.540 0.000) 7.871 4.977 ( 2.809 -0.397 0.000) 2.837 5.103 ( -3.944 4.340 0.000) 5.864 5.389 ( 2.292 7.120 0.000) 7.480 5.621 ( 2.193 21.874 0.000) 21.984 5.757 ( 1.168 -23.699 0.000) 23.728 5.879 ( -5.301 5.603 0.000) 7.713 6.099 ( -5.627 5.544 0.000) 7.899 6.124 ( -6.712 -2.932 0.000) 7.325 6.245 ( 3.167 -18.190 0.000) 18.463 6.291 ( -5.167 -12.122 0.000) 13.177 6.400 ( -1.935 4.518 0.000) 4.915 6.539 ( -2.591 -8.565 0.000) 8.948 6.970 ( -6.984 0.980 0.000) 7.052 7.008 ( -9.849 -2.665 0.000) 10.203 7.246 ( -3.770 8.780 0.000) 9.556 7.350 ( -8.629 3.413 0.000) 9.280 7.407 ( -8.153 -2.583 0.000) 8.552 7.421 ( -3.127 -6.383 0.000) 7.107 7.660 ( 3.289 0.181 0.000) 3.294 7.717 ( 8.394 3.064 0.000) 8.936 7.735 ( 3.602 -5.349 0.000) 6.449 7.872 ( 7.567 -10.992 0.000) 13.345 8.424 ( 7.234 2.628 0.000) 7.697 8.477 ( 6.992 -2.560 0.000) 7.445 8.644 ( 2.212 5.515 0.000) 5.942 8.726 ( 2.410 -2.647 0.000) 3.580 8.907 ( 0.955 6.835 0.000) 6.902 9.054 ( 0.707 -6.267 0.000) 6.307 9.210 ( -1.079 2.876 0.000) 3.072 9.273 ( -0.519 -2.928 0.000) 2.974 11.529 ( 0.853 6.674 0.000) 6.728 11.652 ( -1.133 -4.742 0.000) 4.875 11.778 ( 2.329 5.794 0.000) 6.245 11.920 ( 1.319 -7.230 0.000) 7.349 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 11.713 8.738 0.000) 14.613 1.621 ( 15.071 -5.237 0.000) 15.955 1.797 ( 8.751 1.500 0.000) 8.879 1.894 ( -1.177 -7.094 0.000) 7.191 2.279 ( 11.195 13.460 0.000) 17.507 2.384 ( 4.363 4.132 0.000) 6.009 2.526 ( 14.473 -9.922 0.000) 17.547 2.556 ( 12.046 -11.644 0.000) 16.754 2.884 ( 5.257 8.415 0.000) 9.921 2.980 ( -13.880 3.225 0.000) 14.250 2.986 ( -0.339 1.858 0.000) 1.888 3.032 ( 2.406 0.478 0.000) 2.453 3.394 ( 22.298 9.219 0.000) 24.129 3.500 ( 19.170 18.236 0.000) 26.459 3.550 ( 19.397 -3.326 0.000) 19.680 3.798 ( 8.953 -7.907 0.000) 11.945 3.985 ( 4.180 -1.206 0.000) 4.351 4.026 ( 6.142 -3.894 0.000) 7.273 4.044 ( 5.245 8.731 0.000) 10.185 4.265 ( 9.958 -6.875 0.000) 12.101 4.593 ( 7.858 6.118 0.000) 9.959 4.657 ( 13.899 16.446 0.000) 21.533 4.735 ( 7.173 -8.809 0.000) 11.360 4.804 ( 12.175 1.890 0.000) 12.321 4.944 ( 2.198 10.888 0.000) 11.108 5.018 ( 0.739 5.844 0.000) 5.891 5.051 ( 2.051 4.227 0.000) 4.698 5.072 ( 2.452 0.255 0.000) 2.466 5.416 ( -0.818 4.804 0.000) 4.873 5.666 ( 2.598 15.248 0.000) 15.468 5.716 ( -6.809 -15.909 0.000) 17.305 5.839 ( -1.988 12.072 0.000) 12.235 5.937 ( -10.287 -6.908 0.000) 12.392 5.938 ( -9.798 5.169 0.000) 11.078 6.177 ( -3.526 -17.344 0.000) 17.699 6.234 ( -2.621 -13.194 0.000) 13.452 6.360 ( -1.820 -3.903 0.000) 4.307 6.449 ( -5.640 -8.013 0.000) 9.799 6.770 ( -12.530 -1.012 0.000) 12.571 6.777 ( -11.421 -1.617 0.000) 11.535 7.173 ( -3.165 8.413 0.000) 8.988 7.180 ( -7.014 3.880 0.000) 8.016 7.246 ( -6.194 -2.696 0.000) 6.756 7.340 ( -4.580 -6.520 0.000) 7.968 7.738 ( 4.211 0.221 0.000) 4.216 7.804 ( 2.916 -4.871 0.000) 5.677 7.846 ( 3.659 2.034 0.000) 4.187 7.957 ( 0.645 -8.275 0.000) 8.300 8.620 ( 10.276 1.524 0.000) 10.388 8.652 ( 9.180 -1.613 0.000) 9.321 8.711 ( 4.126 5.819 0.000) 7.134 8.803 ( 5.028 -3.080 0.000) 5.896 8.934 ( 1.767 5.771 0.000) 6.035 9.062 ( -0.182 -5.656 0.000) 5.659 9.171 ( -2.896 3.083 0.000) 4.230 9.240 ( -3.055 -3.160 0.000) 4.395 11.587 ( 5.170 3.965 0.000) 6.516 11.668 ( 2.885 -3.606 0.000) 4.618 11.823 ( 1.467 4.366 0.000) 4.606 11.933 ( -0.722 -5.666 0.000) 5.712 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 7.355 7.237 0.000) 10.318 1.782 ( -6.191 1.691 0.000) 6.417 1.866 ( 7.811 -12.202 0.000) 14.487 1.926 ( 1.619 -11.438 0.000) 11.552 2.449 ( 4.395 9.856 0.000) 10.792 2.477 ( 5.888 14.594 0.000) 15.738 2.649 ( 0.366 -5.696 0.000) 5.708 2.704 ( -7.875 -0.314 0.000) 7.881 2.789 ( 8.038 3.640 0.000) 8.823 2.914 ( -1.622 4.113 0.000) 4.421 2.955 ( -2.243 -1.701 0.000) 2.815 2.983 ( -3.781 -10.003 0.000) 10.694 3.735 ( 7.329 5.086 0.000) 8.921 3.771 ( 3.399 5.466 0.000) 6.437 3.847 ( 4.759 -4.682 0.000) 6.676 3.878 ( 0.442 -4.272 0.000) 4.295 4.254 ( 20.773 4.786 0.000) 21.318 4.317 ( 20.066 -1.531 0.000) 20.125 4.374 ( 22.770 17.298 0.000) 28.596 4.490 ( 5.656 4.638 0.000) 7.315 4.643 ( -5.114 6.778 0.000) 8.491 4.774 ( -5.379 20.824 0.000) 21.508 4.889 ( 9.603 -9.948 0.000) 13.827 4.953 ( 0.981 12.236 0.000) 12.275 4.986 ( 5.738 7.935 0.000) 9.793 4.999 ( -2.730 5.481 0.000) 6.123 5.052 ( -1.058 2.264 0.000) 2.499 5.176 ( -7.617 -10.959 0.000) 13.346 5.362 ( 8.486 1.279 0.000) 8.582 5.548 ( -4.777 -9.899 0.000) 10.991 5.624 ( -8.735 0.459 0.000) 8.747 5.653 ( -13.263 1.174 0.000) 13.315 5.797 ( -1.322 11.131 0.000) 11.209 5.833 ( -2.286 8.312 0.000) 8.621 6.178 ( 2.331 -22.367 0.000) 22.488 6.205 ( 0.602 -13.869 0.000) 13.882 6.339 ( 0.199 -5.035 0.000) 5.038 6.399 ( 3.920 -5.097 0.000) 6.430 6.499 ( -12.960 1.230 0.000) 13.018 6.554 ( -9.976 -3.768 0.000) 10.664 7.098 ( -0.984 4.611 0.000) 4.715 7.117 ( -2.224 6.195 0.000) 6.583 7.190 ( 0.599 -4.065 0.000) 4.109 7.246 ( -4.238 -5.561 0.000) 6.992 7.829 ( 4.391 -1.460 0.000) 4.627 7.854 ( 2.170 -3.093 0.000) 3.779 7.875 ( -0.374 -0.283 0.000) 0.469 7.921 ( -3.527 -4.701 0.000) 5.877 8.762 ( 3.821 3.959 0.000) 5.502 8.783 ( 1.808 6.370 0.000) 6.622 8.837 ( 7.435 -3.132 0.000) 8.067 8.898 ( 2.372 -4.129 0.000) 4.762 8.994 ( 4.317 2.581 0.000) 5.030 9.055 ( 0.972 -2.726 0.000) 2.894 9.089 ( -4.851 2.750 0.000) 5.576 9.146 ( -5.805 -2.426 0.000) 6.291 11.726 ( 7.409 0.834 0.000) 7.456 11.753 ( 4.981 -1.662 0.000) 5.251 11.819 ( -2.086 1.843 0.000) 2.784 11.873 ( -5.196 -3.008 0.000) 6.004 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 0.000 0.000 23.878) 23.878 0.671 ( 0.000 0.000 32.817) 32.817 1.015 ( 0.000 0.000 50.027) 50.027 1.173 ( 0.000 0.000 18.141) 18.141 1.647 ( 0.000 0.000 14.371) 14.371 2.009 ( 0.000 0.000 12.305) 12.305 2.335 ( 0.000 0.000 -1.035) 1.035 2.425 ( 0.000 0.000 8.005) 8.005 2.502 ( 0.000 0.000 2.550) 2.550 2.742 ( 0.000 0.000 -18.414) 18.414 2.818 ( 0.000 0.000 6.227) 6.227 3.160 ( 0.000 0.000 -14.750) 14.750 3.275 ( 0.000 0.000 9.878) 9.878 3.473 ( 0.000 0.000 4.994) 4.994 3.545 ( 0.000 0.000 -0.655) 0.655 3.579 ( 0.000 0.000 5.575) 5.575 3.787 ( 0.000 0.000 5.435) 5.435 3.876 ( 0.000 0.000 -14.029) 14.029 4.023 ( 0.000 0.000 7.555) 7.555 4.090 ( 0.000 0.000 3.460) 3.460 4.340 ( 0.000 0.000 5.043) 5.043 4.439 ( 0.000 0.000 0.721) 0.721 4.519 ( 0.000 0.000 5.885) 5.885 4.668 ( 0.000 0.000 9.345) 9.345 4.736 ( 0.000 0.000 -8.756) 8.756 4.743 ( 0.000 0.000 10.604) 10.604 4.931 ( 0.000 0.000 4.871) 4.871 5.066 ( 0.000 0.000 1.513) 1.513 5.391 ( 0.000 0.000 0.943) 0.943 5.395 ( 0.000 0.000 5.232) 5.232 5.433 ( 0.000 0.000 1.943) 1.943 6.018 ( 0.000 0.000 -5.932) 5.932 6.130 ( 0.000 0.000 -4.060) 4.060 6.305 ( 0.000 0.000 2.380) 2.380 6.308 ( 0.000 0.000 -4.275) 4.275 6.496 ( 0.000 0.000 2.116) 2.116 6.694 ( 0.000 0.000 1.511) 1.511 6.704 ( 0.000 0.000 -6.073) 6.073 6.843 ( 0.000 0.000 1.263) 1.263 6.953 ( 0.000 0.000 -0.165) 0.165 7.044 ( 0.000 0.000 -6.934) 6.934 7.118 ( 0.000 0.000 -8.477) 8.477 7.647 ( 0.000 0.000 -1.602) 1.602 7.679 ( 0.000 0.000 -5.569) 5.569 7.715 ( 0.000 0.000 -2.304) 2.304 7.838 ( 0.000 0.000 4.210) 4.210 8.156 ( 0.000 0.000 4.465) 4.465 8.259 ( 0.000 0.000 2.493) 2.493 8.309 ( 0.000 0.000 0.841) 0.841 8.416 ( 0.000 0.000 3.743) 3.743 8.459 ( 0.000 0.000 -0.012) 0.012 8.682 ( 0.000 0.000 -0.181) 0.181 8.778 ( 0.000 0.000 1.897) 1.897 9.131 ( 0.000 0.000 -2.656) 2.656 9.172 ( 0.000 0.000 0.115) 0.115 9.312 ( 0.000 0.000 -2.614) 2.614 11.288 ( 0.000 0.000 2.302) 2.302 11.328 ( 0.000 0.000 3.954) 3.954 11.620 ( 0.000 0.000 -0.330) 0.330 12.104 ( 0.000 0.000 -0.517) 0.517 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 23.511 0.000 9.535) 25.371 0.996 ( 21.273 0.000 20.700) 29.682 1.304 ( 12.691 0.000 12.643) 17.914 1.610 ( 48.393 0.000 23.695) 53.883 1.726 ( 8.029 0.000 7.984) 11.323 2.090 ( 9.034 0.000 15.257) 17.731 2.220 ( 13.879 0.000 0.636) 13.894 2.415 ( 0.845 0.000 -4.153) 4.238 2.503 ( 2.607 0.000 5.047) 5.681 2.744 ( -6.688 0.000 7.682) 10.185 2.762 ( -2.030 0.000 -18.933) 19.042 2.826 ( -6.013 0.000 -0.226) 6.017 3.273 ( -11.240 0.000 -6.085) 12.782 3.481 ( -7.007 0.000 9.102) 11.487 3.698 ( 8.024 0.000 -15.515) 17.467 3.720 ( 8.229 0.000 7.872) 11.388 3.833 ( 6.482 0.000 7.174) 9.668 3.893 ( 2.662 0.000 -12.179) 12.467 4.015 ( -0.727 0.000 11.137) 11.160 4.107 ( 0.733 0.000 2.031) 2.159 4.216 ( -11.261 0.000 -8.192) 13.925 4.445 ( 2.373 0.000 9.973) 10.252 4.566 ( 1.170 0.000 1.310) 1.756 4.676 ( -6.595 0.000 11.115) 12.924 4.766 ( 4.946 0.000 -8.543) 9.871 4.816 ( 5.011 0.000 14.738) 15.567 4.874 ( 2.673 0.000 4.818) 5.510 5.103 ( 15.287 0.000 8.323) 17.406 5.217 ( 3.815 0.000 8.187) 9.032 5.392 ( -0.268 0.000 2.712) 2.725 5.427 ( 0.404 0.000 -1.721) 1.768 6.053 ( -3.708 0.000 0.702) 3.773 6.156 ( 1.023 0.000 -7.367) 7.437 6.255 ( -4.850 0.000 -3.132) 5.773 6.276 ( -3.636 0.000 2.228) 4.265 6.565 ( -9.692 0.000 -11.934) 15.374 6.669 ( 0.701 0.000 0.586) 0.914 6.826 ( -0.039 0.000 0.818) 0.819 6.891 ( 8.354 0.000 -15.655) 17.744 6.893 ( -4.632 0.000 -1.223) 4.790 7.083 ( -4.116 0.000 -2.792) 4.974 7.117 ( 2.643 0.000 3.820) 4.645 7.367 ( -14.070 0.000 -8.034) 16.203 7.734 ( 2.452 0.000 -2.841) 3.753 7.750 ( -2.145 0.000 3.682) 4.262 7.834 ( -2.092 0.000 5.769) 6.137 8.043 ( 3.123 0.000 8.246) 8.817 8.285 ( -1.402 0.000 -3.921) 4.164 8.321 ( 5.547 0.000 -0.270) 5.553 8.462 ( 4.631 0.000 4.300) 6.320 8.657 ( 6.487 0.000 -6.754) 9.365 8.685 ( 0.215 0.000 -0.243) 0.324 8.789 ( 1.311 0.000 2.295) 2.643 9.099 ( -2.544 0.000 -4.221) 4.928 9.199 ( 1.655 0.000 0.705) 1.799 9.309 ( -1.321 0.000 -3.720) 3.948 11.370 ( 4.187 0.000 3.726) 5.605 11.612 ( 13.043 0.000 -6.404) 14.530 11.633 ( 1.867 0.000 -2.801) 3.367 12.096 ( -0.990 0.000 -1.631) 1.908 ======================= Grid point 37 (15/60) ======================= q-point: ( 0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 19.830 0.000 -3.547) 20.145 1.399 ( 17.089 0.000 9.783) 19.691 1.642 ( 17.955 0.000 9.839) 20.474 1.934 ( 10.335 0.000 -3.234) 10.829 2.259 ( -4.509 0.000 -9.115) 10.170 2.341 ( 4.605 0.000 -7.892) 9.138 2.441 ( -9.474 0.000 -4.476) 10.478 2.499 ( -11.228 0.000 3.251) 11.689 2.663 ( 47.136 0.000 3.680) 47.279 2.780 ( 17.838 0.000 -15.751) 23.797 2.790 ( 7.347 0.000 8.095) 10.933 2.925 ( 13.751 0.000 -9.350) 16.629 3.167 ( 7.978 0.000 -11.597) 14.076 3.380 ( -2.246 0.000 5.524) 5.963 3.689 ( -4.764 0.000 -10.144) 11.207 3.781 ( -0.270 0.000 2.241) 2.257 3.928 ( -5.848 0.000 -6.646) 8.853 4.000 ( 5.706 0.000 -4.966) 7.564 4.076 ( 10.590 0.000 10.125) 14.651 4.085 ( 0.459 0.000 3.394) 3.425 4.124 ( 4.788 0.000 -0.259) 4.795 4.416 ( -3.233 0.000 9.685) 10.210 4.508 ( -5.642 0.000 -2.612) 6.217 4.681 ( 4.652 0.000 6.530) 8.018 4.886 ( 2.111 0.000 6.581) 6.912 4.887 ( 1.623 0.000 -16.261) 16.342 5.036 ( 7.359 0.000 -2.492) 7.770 5.324 ( 3.206 0.000 6.616) 7.352 5.363 ( 6.107 0.000 2.552) 6.619 5.417 ( 0.962 0.000 -1.147) 1.497 5.538 ( 16.893 0.000 5.748) 17.844 5.930 ( -8.023 0.000 0.160) 8.025 6.069 ( -14.527 0.000 3.193) 14.873 6.126 ( -6.618 0.000 -0.785) 6.665 6.159 ( -2.456 0.000 0.384) 2.486 6.409 ( -4.515 0.000 -10.428) 11.364 6.676 ( 0.299 0.000 1.584) 1.612 6.772 ( -6.878 0.000 0.441) 6.892 6.793 ( -3.574 0.000 2.887) 4.594 6.920 ( 0.156 0.000 -4.934) 4.936 7.038 ( -0.105 0.000 -1.188) 1.193 7.073 ( -7.450 0.000 13.456) 15.381 7.221 ( -0.074 0.000 -6.194) 6.194 7.588 ( -8.244 0.000 8.505) 11.844 7.846 ( 5.418 0.000 -3.232) 6.308 7.878 ( 3.538 0.000 -1.727) 3.936 8.067 ( -1.452 0.000 5.883) 6.060 8.235 ( -4.062 0.000 -1.915) 4.491 8.451 ( 6.574 0.000 -3.766) 7.576 8.591 ( 6.374 0.000 1.641) 6.582 8.692 ( 0.848 0.000 -1.236) 1.499 8.770 ( 5.977 0.000 -7.837) 9.856 8.853 ( 5.569 0.000 4.208) 6.980 9.027 ( -4.651 0.000 -6.711) 8.165 9.214 ( -0.630 0.000 1.581) 1.702 9.244 ( -5.183 0.000 -6.732) 8.496 11.503 ( 8.847 0.000 2.375) 9.160 11.672 ( 2.594 0.000 -6.312) 6.824 11.758 ( 2.749 0.000 -2.311) 3.591 12.049 ( -4.015 0.000 -3.388) 5.253 ======================= Grid point 38 (16/60) ======================= q-point: ( 0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 15.281 0.000 -9.505) 17.996 1.713 ( 15.033 0.000 2.446) 15.231 1.862 ( -5.297 0.000 -4.110) 6.705 2.017 ( 7.371 0.000 -0.768) 7.411 2.046 ( -17.689 0.000 -1.602) 17.762 2.239 ( -11.572 0.000 0.140) 11.573 2.389 ( 14.872 0.000 -0.321) 14.875 2.605 ( 11.678 0.000 -7.174) 13.706 2.690 ( -11.992 0.000 3.295) 12.436 2.795 ( -6.134 0.000 -8.152) 10.202 3.285 ( 8.905 0.000 -14.414) 16.943 3.354 ( -0.301 0.000 -6.149) 6.157 3.454 ( 20.333 0.000 -13.379) 24.340 3.527 ( 17.167 0.000 -12.702) 21.355 3.615 ( -2.083 0.000 -9.799) 10.018 3.735 ( -4.725 0.000 -2.234) 5.227 3.888 ( 7.216 0.000 -0.756) 7.255 4.074 ( -4.520 0.000 3.657) 5.814 4.157 ( 5.923 0.000 -2.465) 6.416 4.257 ( 17.266 0.000 -2.860) 17.501 4.315 ( -4.088 0.000 -2.438) 4.760 4.417 ( 3.355 0.000 2.998) 4.500 4.436 ( 9.529 0.000 -2.289) 9.800 4.718 ( -1.658 0.000 2.838) 3.287 4.724 ( -14.463 0.000 -13.575) 19.835 4.836 ( -8.954 0.000 2.222) 9.226 5.142 ( 3.461 0.000 -8.111) 8.819 5.247 ( -9.296 0.000 -10.874) 14.306 5.488 ( 11.501 0.000 1.017) 11.546 5.606 ( 10.944 0.000 8.430) 13.815 5.687 ( -4.892 0.000 -1.101) 5.015 5.784 ( -2.869 0.000 8.163) 8.653 5.818 ( -7.610 0.000 4.800) 8.997 5.929 ( -11.330 0.000 3.208) 11.775 6.273 ( 12.088 0.000 7.820) 14.397 6.389 ( 0.779 0.000 -2.415) 2.538 6.656 ( -1.629 0.000 5.579) 5.812 6.685 ( 0.821 0.000 1.495) 1.706 6.721 ( -2.738 0.000 0.991) 2.912 6.832 ( -14.533 0.000 16.712) 22.147 6.977 ( 3.643 0.000 0.008) 3.643 7.026 ( -1.071 0.000 3.215) 3.389 7.297 ( 5.677 0.000 0.488) 5.698 7.428 ( -7.219 0.000 6.040) 9.412 7.940 ( 3.591 0.000 -0.962) 3.718 7.972 ( 5.955 0.000 -2.169) 6.337 8.012 ( -3.059 0.000 1.181) 3.279 8.116 ( -7.108 0.000 -1.679) 7.303 8.571 ( 4.793 0.000 -2.111) 5.237 8.635 ( -1.398 0.000 -0.186) 1.410 8.767 ( 6.053 0.000 -6.742) 9.061 8.901 ( -6.352 0.000 -7.793) 10.054 8.920 ( 8.602 0.000 -9.547) 12.851 9.017 ( 8.163 0.000 4.193) 9.177 9.101 ( -8.498 0.000 -9.340) 12.628 9.159 ( -4.962 0.000 2.876) 5.735 11.714 ( 11.063 0.000 -0.535) 11.076 11.730 ( 2.743 0.000 -6.990) 7.509 11.771 ( -1.024 0.000 -4.327) 4.447 11.921 ( -8.570 0.000 -3.167) 9.137 ======================= Grid point 42 (17/60) ======================= q-point: ( 0.00 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 0.000 18.554 24.261) 30.542 0.957 ( 0.000 21.893 22.083) 31.096 1.329 ( 0.000 8.640 18.018) 19.982 1.466 ( 0.000 28.768 16.841) 33.334 1.760 ( 0.000 21.090 19.660) 28.832 2.009 ( 0.000 -0.390 9.405) 9.413 2.148 ( 0.000 -22.403 28.871) 36.544 2.353 ( 0.000 -6.337 11.963) 13.538 2.522 ( 0.000 -8.144 -2.942) 8.659 2.623 ( 0.000 -8.950 3.914) 9.768 2.632 ( 0.000 3.917 -17.839) 18.264 2.834 ( 0.000 11.968 -7.256) 13.996 3.280 ( 0.000 4.149 13.611) 14.230 3.482 ( 0.000 -8.332 1.157) 8.412 3.662 ( 0.000 13.722 6.878) 15.349 3.669 ( 0.000 -0.472 0.774) 0.906 3.806 ( 0.000 6.734 -9.724) 11.828 3.860 ( 0.000 -7.731 3.269) 8.393 4.028 ( 0.000 6.206 -4.262) 7.529 4.155 ( 0.000 -1.881 8.616) 8.819 4.359 ( 0.000 -5.793 6.045) 8.373 4.536 ( 0.000 4.456 -0.066) 4.457 4.620 ( 0.000 -3.859 8.798) 9.607 4.645 ( 0.000 -7.580 12.568) 14.677 4.731 ( 0.000 0.309 8.634) 8.640 4.842 ( 0.000 19.087 -4.727) 19.664 4.903 ( 0.000 -1.974 5.502) 5.845 4.971 ( 0.000 0.560 2.829) 2.883 5.198 ( 0.000 9.121 1.326) 9.217 5.359 ( 0.000 -2.600 1.310) 2.912 5.809 ( 0.000 8.831 -6.542) 10.990 6.028 ( 0.000 1.347 -5.830) 5.984 6.137 ( 0.000 0.679 -4.509) 4.560 6.181 ( 0.000 -9.539 2.976) 9.992 6.316 ( 0.000 -0.876 -2.647) 2.788 6.416 ( 0.000 -6.489 1.060) 6.575 6.594 ( 0.000 -8.787 2.140) 9.044 6.719 ( 0.000 -6.805 -2.174) 7.144 6.921 ( 0.000 5.439 -9.140) 10.636 7.068 ( 0.000 10.458 -4.010) 11.200 7.076 ( 0.000 0.802 -9.294) 9.329 7.106 ( 0.000 1.281 -5.659) 5.803 7.610 ( 0.000 -3.376 -1.760) 3.807 7.613 ( 0.000 -5.127 -5.017) 7.173 7.657 ( 0.000 -4.581 -0.324) 4.593 7.777 ( 0.000 -5.455 4.446) 7.037 7.962 ( 0.000 -13.584 15.953) 20.952 8.051 ( 0.000 -8.407 4.707) 9.635 8.299 ( 0.000 2.749 1.757) 3.263 8.443 ( 0.000 -1.196 0.646) 1.360 8.507 ( 0.000 7.279 3.317) 7.999 8.753 ( 0.000 0.644 0.642) 0.910 8.810 ( 0.000 3.009 1.894) 3.555 9.143 ( 0.000 -2.781 0.145) 2.784 9.150 ( 0.000 1.707 -2.593) 3.105 9.299 ( 0.000 -1.467 -2.366) 2.784 11.386 ( 0.000 4.949 2.291) 5.453 11.545 ( 0.000 8.700 -12.601) 15.313 11.652 ( 0.000 3.088 -0.251) 3.098 12.045 ( 0.000 -5.370 -0.493) 5.393 ======================= Grid point 43 (18/60) ======================= q-point: ( 0.14 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 15.370 11.006 19.631) 27.253 1.204 ( 17.454 22.064 6.471) 28.868 1.425 ( 10.966 6.464 11.661) 17.263 1.774 ( 11.294 5.151 7.110) 14.305 1.964 ( 27.934 28.171 15.808) 42.706 2.083 ( 18.255 1.522 8.352) 20.133 2.199 ( 14.605 -1.061 3.908) 15.156 2.446 ( -6.727 -9.248 -2.217) 11.649 2.528 ( -2.443 -1.035 -5.134) 5.779 2.593 ( -1.103 -4.901 -3.137) 5.922 2.675 ( 10.700 -0.533 -0.518) 10.726 2.897 ( 3.135 6.040 -6.632) 9.502 3.249 ( -5.845 -0.817 -2.782) 6.524 3.387 ( -5.894 3.047 9.433) 11.533 3.589 ( -3.161 -0.029 8.209) 8.797 3.773 ( 9.247 1.860 7.451) 12.020 3.863 ( 2.895 1.965 -7.797) 8.546 3.926 ( 6.251 -1.791 -2.267) 6.886 4.078 ( 3.600 3.738 0.603) 5.225 4.186 ( 1.229 -0.157 1.341) 1.825 4.286 ( -6.846 3.269 3.329) 8.285 4.503 ( -2.075 -0.240 4.342) 4.819 4.651 ( 0.684 3.107 0.274) 3.193 4.690 ( 2.433 4.228 9.676) 10.836 4.795 ( 8.850 -4.872 2.324) 10.366 4.825 ( 3.105 8.174 6.861) 11.115 4.910 ( -2.571 7.287 2.920) 8.260 5.072 ( 8.976 -1.177 7.846) 11.980 5.233 ( 5.886 7.742 -0.504) 9.739 5.368 ( 0.815 -0.889 -0.037) 1.207 5.632 ( -4.612 11.614 -0.605) 12.511 6.042 ( -1.942 -0.948 1.256) 2.499 6.104 ( -3.165 -2.564 -7.969) 8.949 6.167 ( -2.282 -9.709 2.670) 10.325 6.296 ( -3.567 2.971 -2.652) 5.347 6.495 ( -0.102 -8.723 -5.276) 10.195 6.573 ( -2.641 -7.875 1.189) 8.390 6.738 ( 0.018 -9.311 -1.731) 9.471 6.921 ( -1.220 3.340 -9.576) 10.215 6.940 ( -4.897 2.641 -6.454) 8.521 7.059 ( -3.245 -1.575 -3.154) 4.791 7.155 ( -1.671 2.964 0.363) 3.422 7.361 ( -10.110 -0.160 -5.724) 11.619 7.671 ( 1.227 -4.673 -0.424) 4.850 7.702 ( 0.625 -3.898 1.749) 4.318 7.763 ( -1.025 -4.808 5.461) 7.348 7.967 ( 4.299 -6.226 7.951) 10.975 8.154 ( 2.675 -9.867 0.071) 10.224 8.359 ( 5.610 2.855 -0.188) 6.297 8.524 ( 4.588 -0.031 0.705) 4.642 8.556 ( 5.779 2.565 2.519) 6.806 8.764 ( 1.021 1.346 -0.348) 1.725 8.819 ( 1.103 2.907 1.912) 3.650 9.106 ( -2.452 0.367 -3.684) 4.440 9.176 ( 1.310 -1.748 0.427) 2.226 9.289 ( -1.436 -1.821 -3.723) 4.386 11.415 ( 3.255 4.097 2.265) 5.702 11.633 ( 5.419 0.568 -6.153) 8.219 11.664 ( 1.409 2.893 -2.525) 4.090 12.039 ( -0.707 -5.129 -1.711) 5.453 ======================= Grid point 44 (19/60) ======================= q-point: ( 0.29 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 11.213 4.189 9.268) 15.138 1.538 ( 15.599 16.439 -4.160) 23.040 1.779 ( 21.110 5.226 4.648) 22.239 1.940 ( 5.712 1.538 1.121) 6.020 2.207 ( -10.310 -7.759 -1.190) 12.958 2.285 ( -1.402 2.347 -6.724) 7.258 2.508 ( 3.571 9.492 -11.856) 15.602 2.578 ( 4.119 -2.863 -5.407) 7.376 2.631 ( 15.502 -7.733 -12.933) 21.619 2.699 ( 13.824 -3.753 -3.967) 14.863 2.926 ( 3.916 5.587 -2.996) 7.452 2.999 ( 25.063 11.696 2.442) 27.766 3.194 ( 6.046 9.884 3.012) 11.972 3.367 ( 8.625 -1.761 -4.336) 9.813 3.551 ( -0.984 2.255 5.362) 5.899 3.893 ( 1.456 -0.706 -8.264) 8.421 3.961 ( 5.338 2.079 7.834) 9.705 4.060 ( 4.737 -0.049 -0.218) 4.743 4.105 ( 0.558 1.353 0.183) 1.475 4.216 ( 5.028 11.549 -3.490) 13.070 4.235 ( 0.893 3.696 1.810) 4.211 4.386 ( -4.338 11.206 0.337) 12.021 4.707 ( -0.409 10.159 1.201) 10.237 4.764 ( 1.919 7.738 3.906) 8.878 4.890 ( 6.370 -1.123 -0.867) 6.526 4.907 ( 1.999 2.397 0.611) 3.180 5.011 ( 4.710 -0.859 -2.900) 5.598 5.151 ( 5.372 -6.456 2.663) 8.811 5.382 ( 2.855 -1.584 0.201) 3.271 5.513 ( 10.028 3.379 2.574) 10.891 5.590 ( 2.107 7.193 0.416) 7.507 5.935 ( -7.806 0.734 1.182) 7.929 6.014 ( -12.118 -5.096 4.124) 13.777 6.036 ( -4.796 -5.922 1.050) 7.692 6.215 ( -3.293 3.168 -0.178) 4.573 6.411 ( -4.341 -1.175 -8.021) 9.196 6.547 ( -0.215 -10.761 2.575) 11.067 6.685 ( -4.248 -9.166 -0.134) 10.103 6.787 ( -8.528 -2.361 -0.833) 8.888 6.878 ( -2.246 -4.817 -0.288) 5.322 7.020 ( -2.567 0.979 -0.510) 2.794 7.096 ( -0.163 1.246 1.622) 2.052 7.254 ( -2.355 2.580 1.059) 3.650 7.560 ( -7.582 -2.441 8.061) 11.333 7.791 ( 5.171 -4.495 -1.755) 7.073 7.815 ( 3.786 -3.917 -2.743) 6.099 7.998 ( -1.066 -5.572 4.072) 6.983 8.150 ( -2.903 -6.853 0.926) 7.500 8.497 ( 7.099 3.428 -4.500) 9.077 8.619 ( 4.587 1.025 0.005) 4.700 8.690 ( 6.278 1.868 0.437) 6.564 8.797 ( 2.674 1.656 -3.792) 4.927 8.870 ( 4.434 1.696 2.767) 5.495 9.040 ( -4.129 1.055 -6.258) 7.571 9.188 ( -0.609 -2.389 1.404) 2.837 9.225 ( -4.932 -1.679 -6.698) 8.486 11.525 ( 7.542 2.049 1.380) 7.936 11.692 ( 2.019 1.551 -5.645) 6.193 11.725 ( 2.700 -2.245 -2.380) 4.242 12.002 ( -3.307 -4.249 -3.664) 6.513 ======================= Grid point 45 (20/60) ======================= q-point: ( 0.43 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 9.881 -1.164 2.449) 10.246 1.799 ( 0.781 3.849 -6.078) 7.236 1.889 ( 1.515 2.995 -5.974) 6.852 2.076 ( -4.276 9.005 -13.459) 16.749 2.198 ( 8.374 7.774 5.729) 12.782 2.218 ( 3.987 -9.869 -1.776) 10.791 2.456 ( -3.969 3.274 0.175) 5.148 2.567 ( -6.181 3.376 -2.517) 7.479 2.720 ( 5.302 5.446 -6.287) 9.863 2.806 ( -1.368 -1.914 -7.694) 8.046 3.109 ( 5.612 -8.084 -7.126) 12.150 3.169 ( -1.950 -11.180 -5.724) 12.710 3.530 ( 11.352 9.430 -7.987) 16.781 3.578 ( 3.082 3.826 -8.627) 9.928 3.757 ( 19.549 8.571 -10.152) 23.637 3.984 ( -2.350 7.909 2.768) 8.702 4.014 ( 6.472 0.912 -1.793) 6.778 4.050 ( 1.762 9.881 -7.205) 12.355 4.213 ( 1.628 1.068 -3.697) 4.178 4.239 ( 3.046 10.070 -5.918) 12.071 4.366 ( 9.884 3.935 -1.304) 10.718 4.429 ( 4.732 3.811 -4.837) 7.765 4.625 ( -1.981 11.294 -1.458) 11.558 4.789 ( -9.204 8.266 -1.540) 12.466 4.831 ( -2.103 7.774 -1.675) 8.226 4.895 ( -3.691 4.545 3.780) 6.969 5.120 ( 5.211 -1.711 -5.898) 8.055 5.228 ( -6.533 0.093 -11.652) 13.359 5.436 ( 9.892 -5.446 2.319) 11.527 5.585 ( 2.435 -1.641 1.836) 3.463 5.676 ( -0.881 -0.437 2.169) 2.381 5.780 ( -8.351 -2.170 7.377) 11.352 5.798 ( -2.498 0.218 7.441) 7.852 5.898 ( -8.684 -2.521 4.771) 10.224 6.283 ( 10.558 0.901 6.755) 12.566 6.396 ( 1.396 0.220 -2.095) 2.527 6.538 ( -0.962 -8.306 2.119) 8.625 6.596 ( -4.544 -10.174 1.435) 11.235 6.660 ( -2.324 -5.829 2.749) 6.851 6.750 ( -9.571 -8.758 9.297) 15.960 7.026 ( 3.452 4.190 1.829) 5.729 7.089 ( -1.807 4.843 8.124) 9.629 7.277 ( 4.353 -1.884 0.983) 4.844 7.401 ( -7.434 -2.420 6.121) 9.929 7.884 ( 3.477 -4.807 -2.879) 6.595 7.908 ( 5.697 -4.711 -1.239) 7.496 7.952 ( -2.667 -4.405 0.020) 5.149 8.046 ( -6.636 -5.460 0.548) 8.611 8.625 ( 4.860 4.363 -3.228) 7.285 8.675 ( 0.191 3.141 -0.527) 3.190 8.791 ( 4.727 2.065 -5.185) 7.314 8.876 ( 0.798 -1.421 -8.198) 8.358 8.951 ( 1.339 1.872 -6.774) 7.154 9.007 ( 5.495 -0.563 2.135) 5.922 9.096 ( -6.737 -0.542 -8.110) 10.557 9.139 ( -4.262 -1.831 2.377) 5.212 11.702 ( 8.284 -0.614 -2.064) 8.560 11.732 ( 1.645 0.035 -6.112) 6.329 11.758 ( 1.434 -0.908 -3.765) 4.130 11.894 ( -7.307 -2.490 -3.580) 8.510 ======================= Grid point 49 (21/60) ======================= q-point: ( 0.00 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 0.000 9.341 25.685) 27.331 1.324 ( 0.000 3.129 19.441) 19.691 1.514 ( 0.000 16.646 16.595) 23.505 1.747 ( 0.000 2.653 10.210) 10.549 1.922 ( 0.000 2.916 16.127) 16.388 1.988 ( 0.000 -0.668 5.067) 5.111 2.149 ( 0.000 -14.021 3.906) 14.555 2.160 ( 0.000 -11.231 9.955) 15.008 2.530 ( 0.000 26.235 -3.411) 26.456 2.714 ( 0.000 3.852 -22.312) 22.642 2.769 ( 0.000 12.051 -4.875) 13.000 2.936 ( 0.000 -3.646 -7.006) 7.898 3.312 ( 0.000 -3.079 1.959) 3.649 3.411 ( 0.000 2.593 15.297) 15.515 3.574 ( 0.000 -4.730 4.676) 6.652 3.586 ( 0.000 -12.282 8.862) 15.146 3.935 ( 0.000 3.340 1.427) 3.632 4.022 ( 0.000 -4.400 3.725) 5.765 4.081 ( 0.000 13.094 9.422) 16.131 4.193 ( 0.000 5.594 2.287) 6.044 4.343 ( 0.000 3.754 9.735) 10.434 4.435 ( 0.000 -6.806 12.500) 14.232 4.529 ( 0.000 -3.224 8.976) 9.537 4.558 ( 0.000 -3.674 2.300) 4.335 4.879 ( 0.000 4.243 3.522) 5.514 4.951 ( 0.000 17.540 3.488) 17.883 4.965 ( 0.000 -3.659 2.497) 4.430 5.142 ( 0.000 4.329 -0.942) 4.430 5.355 ( 0.000 6.240 -0.364) 6.251 5.532 ( 0.000 13.166 -4.592) 13.944 5.732 ( 0.000 -11.908 -0.933) 11.945 6.060 ( 0.000 -17.526 0.164) 17.526 6.071 ( 0.000 2.090 -1.896) 2.822 6.098 ( 0.000 0.621 -6.915) 6.942 6.158 ( 0.000 2.894 -2.212) 3.642 6.350 ( 0.000 -12.511 0.591) 12.525 6.419 ( 0.000 4.663 -1.016) 4.773 6.555 ( 0.000 -7.794 -0.774) 7.832 6.994 ( 0.000 2.608 -6.048) 6.586 7.042 ( 0.000 -2.115 -7.162) 7.467 7.208 ( 0.000 5.951 -7.236) 9.368 7.254 ( 0.000 4.702 -8.549) 9.756 7.485 ( 0.000 -4.539 -4.752) 6.571 7.517 ( 0.000 -4.844 -2.765) 5.578 7.592 ( 0.000 -0.740 2.416) 2.527 7.644 ( 0.000 -5.613 3.817) 6.788 7.824 ( 0.000 -0.652 12.388) 12.405 7.888 ( 0.000 -5.931 7.670) 9.696 8.361 ( 0.000 2.826 1.416) 3.161 8.411 ( 0.000 -1.932 1.175) 2.261 8.655 ( 0.000 5.526 3.089) 6.331 8.732 ( 0.000 -2.241 2.636) 3.460 8.910 ( 0.000 6.486 1.238) 6.603 9.051 ( 0.000 -5.955 0.498) 5.976 9.197 ( 0.000 2.663 -2.435) 3.608 9.254 ( 0.000 -2.599 -2.289) 3.464 11.505 ( 0.000 5.675 -1.471) 5.863 11.595 ( 0.000 -2.075 -6.488) 6.812 11.750 ( 0.000 6.173 -0.278) 6.179 11.900 ( 0.000 -7.659 -0.449) 7.672 ======================= Grid point 50 (22/60) ======================= q-point: ( 0.14 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 10.832 8.968 17.640) 22.560 1.452 ( 10.038 -0.042 13.530) 16.847 1.626 ( 10.629 14.614 7.366) 19.514 1.827 ( 6.527 -1.640 6.620) 9.440 2.108 ( 12.035 -3.250 0.368) 12.472 2.132 ( -0.273 -9.165 -0.137) 9.171 2.162 ( 18.742 4.938 4.845) 19.978 2.335 ( 8.519 -11.182 5.960) 15.269 2.577 ( 2.466 14.061 -13.311) 19.519 2.680 ( 2.096 6.901 -16.433) 17.946 2.838 ( 6.816 9.298 -6.053) 13.021 2.927 ( 0.234 -2.236 -6.600) 6.973 3.311 ( 4.697 9.912 5.723) 12.372 3.503 ( 0.198 1.791 14.875) 14.984 3.549 ( 2.364 -1.194 10.299) 10.634 3.665 ( 7.605 -13.082 6.794) 16.587 3.906 ( -1.464 2.945 0.762) 3.376 4.001 ( -1.273 -5.985 4.662) 7.692 4.071 ( 1.230 10.665 3.630) 11.333 4.240 ( 1.768 -1.798 3.302) 4.155 4.416 ( 4.377 7.913 2.843) 9.479 4.487 ( 5.361 0.255 6.881) 8.727 4.576 ( 7.034 -3.084 5.075) 9.206 4.634 ( 7.260 -6.574 4.308) 10.700 4.925 ( 0.734 16.564 1.407) 16.640 4.992 ( 5.997 1.839 3.108) 7.000 5.024 ( 2.605 2.389 3.829) 5.211 5.114 ( -1.001 2.701 1.972) 3.491 5.383 ( 2.165 6.543 -0.525) 6.912 5.561 ( 2.540 13.101 -4.466) 14.073 5.753 ( 1.782 -3.816 -0.862) 4.299 5.910 ( -4.385 -5.891 2.718) 7.830 6.034 ( -5.798 -0.963 -5.836) 8.283 6.112 ( -3.950 4.586 -0.431) 6.068 6.201 ( 2.814 -16.918 -3.704) 17.546 6.316 ( -3.999 -11.385 1.267) 12.134 6.397 ( -1.745 2.981 -0.091) 3.455 6.532 ( -2.852 -8.384 -1.234) 8.941 6.947 ( -5.775 0.546 -2.578) 6.348 6.968 ( -9.236 -1.112 -5.165) 10.640 7.089 ( -4.225 4.382 -10.390) 12.042 7.169 ( -7.351 -2.376 -9.656) 12.366 7.411 ( -2.738 5.474 1.504) 6.302 7.550 ( -1.288 -6.792 1.464) 7.067 7.640 ( 4.243 -0.669 0.202) 4.300 7.684 ( 3.147 -3.684 1.767) 5.157 7.873 ( 3.797 0.173 8.283) 9.114 7.966 ( 4.324 -7.257 6.169) 10.460 8.420 ( 5.524 2.744 0.050) 6.169 8.473 ( 5.528 -2.395 0.088) 6.026 8.682 ( 2.886 5.154 3.478) 6.855 8.754 ( 2.157 -1.921 2.343) 3.719 8.918 ( 0.680 6.392 0.958) 6.499 9.054 ( 0.094 -5.522 -0.164) 5.525 9.181 ( -1.485 2.263 -2.872) 3.946 9.238 ( -1.711 -2.816 -3.560) 4.851 11.518 ( 1.610 5.123 -0.689) 5.414 11.608 ( 1.372 -2.971 -3.699) 4.939 11.757 ( 0.638 5.893 -2.140) 6.302 11.901 ( -0.055 -7.347 -1.956) 7.603 ======================= Grid point 51 (23/60) ======================= q-point: ( 0.29 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 8.121 8.433 9.336) 14.975 1.680 ( 11.660 -1.681 4.902) 12.760 1.833 ( 7.604 2.150 3.095) 8.487 1.913 ( -0.589 -5.117 1.447) 5.351 2.216 ( 8.314 7.776 -6.629) 13.174 2.318 ( -1.668 2.312 -4.610) 5.420 2.420 ( 10.103 -10.576 -12.222) 19.060 2.443 ( 8.104 -8.648 -9.673) 15.298 2.659 ( 2.470 2.877 -15.558) 16.014 2.672 ( 0.319 3.265 -14.146) 14.521 3.003 ( 6.812 4.839 -6.402) 10.526 3.134 ( 10.274 -4.428 -2.549) 11.474 3.491 ( 7.917 12.048 11.085) 18.185 3.559 ( 16.201 17.235 2.711) 23.809 3.598 ( 2.283 0.624 7.971) 8.315 3.854 ( 5.538 -6.841 -1.655) 8.956 3.940 ( 6.093 0.413 6.086) 8.621 4.035 ( 6.157 -5.613 2.219) 8.623 4.130 ( 5.613 7.896 2.977) 10.135 4.286 ( 6.125 -2.394 0.685) 6.612 4.512 ( 3.707 10.782 -6.045) 12.905 4.591 ( 2.367 3.273 -6.553) 7.698 4.774 ( 10.635 -2.402 1.497) 11.005 4.810 ( 7.823 -2.758 1.196) 8.380 4.979 ( -2.909 7.800 1.046) 8.391 4.982 ( 4.295 10.497 2.692) 11.656 5.067 ( -0.104 1.885 -0.905) 2.093 5.155 ( 3.979 0.187 3.383) 5.227 5.414 ( 0.287 9.570 -0.253) 9.577 5.647 ( 4.848 9.263 0.083) 10.455 5.761 ( -2.948 3.757 1.663) 5.057 5.857 ( -4.371 -3.045 2.990) 6.109 5.886 ( -6.003 -7.151 -2.957) 9.794 6.000 ( -6.714 5.325 5.928) 10.420 6.205 ( -1.998 -16.683 -0.415) 16.807 6.225 ( -2.591 -12.660 1.851) 13.054 6.342 ( -2.590 -2.193 -0.751) 3.476 6.431 ( -6.076 -8.231 -2.111) 10.447 6.741 ( -10.349 -0.381 -2.320) 10.613 6.777 ( -9.158 -3.533 0.186) 9.818 7.065 ( 0.410 2.313 -4.111) 4.735 7.102 ( 0.967 -0.935 -5.020) 5.197 7.336 ( -4.414 5.515 6.354) 9.501 7.468 ( -5.935 -6.234 6.446) 10.753 7.735 ( 4.456 -0.382 -0.627) 4.516 7.758 ( 3.520 -1.856 -2.821) 4.877 7.913 ( -0.179 -0.067 3.575) 3.580 8.000 ( -1.254 -6.646 4.788) 8.287 8.562 ( 7.689 2.500 -4.230) 9.125 8.604 ( 6.742 -1.581 -3.247) 7.649 8.772 ( 5.227 3.669 3.725) 7.393 8.813 ( 3.128 -0.457 0.726) 3.244 8.938 ( 1.430 4.957 0.265) 5.166 9.039 ( -1.828 -2.806 -2.917) 4.442 9.143 ( -2.169 -0.177 -2.183) 3.082 9.179 ( -4.146 -2.496 -5.915) 7.642 11.583 ( 4.817 3.245 -0.358) 5.820 11.653 ( 2.999 -3.238 -1.593) 4.692 11.770 ( 0.376 4.656 -5.210) 6.997 11.887 ( -1.605 -6.100 -4.451) 7.720 ======================= Grid point 52 (24/60) ======================= q-point: ( 0.43 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 5.371 7.991 4.247) 10.524 1.798 ( -5.062 3.351 1.942) 6.373 1.895 ( 7.712 -9.489 1.907) 12.375 1.974 ( 1.471 -11.555 4.055) 12.333 2.250 ( 0.016 9.504 -13.644) 16.627 2.313 ( -1.894 8.813 -15.401) 17.846 2.467 ( 0.808 -6.076 -16.382) 17.491 2.524 ( -2.199 -9.020 -13.547) 16.423 2.803 ( 12.162 3.415 -1.814) 12.762 2.822 ( 10.354 2.458 -4.707) 11.636 3.039 ( -4.558 0.543 -1.315) 4.775 3.077 ( -8.976 -0.949 3.977) 9.863 3.682 ( 5.071 5.415 -6.671) 9.977 3.726 ( 1.757 8.372 -4.771) 9.795 3.786 ( 9.646 -3.811 -6.666) 12.330 3.890 ( -1.917 -7.088 -2.312) 7.698 4.157 ( 14.851 7.054 -5.119) 17.220 4.232 ( 12.133 -0.472 -4.586) 12.979 4.394 ( 14.846 14.326 0.016) 20.631 4.446 ( 0.017 3.643 -4.428) 5.734 4.505 ( -4.861 6.489 -9.497) 12.487 4.574 ( 3.191 8.328 -12.753) 15.562 4.786 ( -4.898 3.231 -5.298) 7.906 4.883 ( -6.026 -3.525 -6.663) 9.651 5.007 ( 3.083 6.841 1.470) 7.646 5.052 ( -0.103 11.656 2.104) 11.844 5.111 ( 9.401 -0.816 4.914) 10.640 5.262 ( -1.048 -7.576 1.303) 7.759 5.402 ( 5.542 15.245 2.760) 16.454 5.610 ( -9.416 6.997 -1.341) 11.807 5.683 ( -2.826 -3.884 9.926) 11.027 5.695 ( -4.900 -2.080 6.376) 8.306 5.848 ( -2.004 5.610 3.598) 6.960 5.874 ( -3.863 4.061 5.644) 7.954 6.190 ( 1.277 -22.189 1.357) 22.267 6.220 ( 0.058 -19.835 1.453) 19.888 6.350 ( 4.086 -1.435 1.705) 4.654 6.392 ( 4.430 -2.213 0.166) 4.954 6.543 ( -9.516 -2.059 1.994) 9.938 6.578 ( -10.131 -4.926 3.215) 11.715 7.118 ( 4.725 3.949 2.618) 6.692 7.170 ( 3.927 0.638 5.377) 6.689 7.248 ( -3.306 1.344 5.256) 6.353 7.328 ( -7.210 -4.360 7.008) 10.959 7.816 ( 3.214 -0.851 -2.539) 4.184 7.828 ( 3.785 -2.085 -0.996) 4.435 7.881 ( -2.188 -1.134 -0.767) 2.581 7.931 ( -4.718 -4.839 1.939) 7.031 8.714 ( 6.550 3.208 -5.942) 9.407 8.733 ( 5.183 1.536 -3.275) 6.320 8.832 ( -0.289 1.189 -1.860) 2.226 8.849 ( -0.767 -1.011 -4.007) 4.204 8.987 ( 2.636 1.784 -2.235) 3.889 9.011 ( 1.377 0.403 -2.150) 2.584 9.078 ( -4.831 -0.922 -5.853) 7.646 9.090 ( -3.251 -2.243 -0.245) 3.957 11.700 ( 5.560 0.522 -2.754) 6.226 11.721 ( 3.700 -1.196 -3.412) 5.173 11.763 ( -1.164 1.929 -5.548) 5.988 11.826 ( -4.500 -3.602 -4.703) 7.439 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 0.000 0.000 21.513) 21.513 1.242 ( 0.000 0.000 25.278) 25.278 1.571 ( 0.000 0.000 20.898) 20.898 1.835 ( 0.000 0.000 28.146) 28.146 1.952 ( 0.000 0.000 14.664) 14.664 2.083 ( 0.000 0.000 -4.740) 4.740 2.215 ( 0.000 0.000 -20.359) 20.359 2.353 ( 0.000 0.000 5.283) 5.283 2.682 ( 0.000 0.000 5.096) 5.096 2.696 ( 0.000 0.000 15.006) 15.006 2.811 ( 0.000 0.000 -17.196) 17.196 2.984 ( 0.000 0.000 9.834) 9.834 3.560 ( 0.000 0.000 2.946) 2.946 3.571 ( 0.000 0.000 4.487) 4.487 3.586 ( 0.000 0.000 18.257) 18.257 3.614 ( 0.000 0.000 -7.141) 7.141 3.750 ( 0.000 0.000 6.762) 6.762 3.916 ( 0.000 0.000 7.580) 7.580 4.150 ( 0.000 0.000 7.470) 7.470 4.191 ( 0.000 0.000 6.240) 6.240 4.435 ( 0.000 0.000 5.086) 5.086 4.456 ( 0.000 0.000 1.629) 1.629 4.546 ( 0.000 0.000 -9.782) 9.782 4.649 ( 0.000 0.000 5.889) 5.889 4.830 ( 0.000 0.000 7.014) 7.014 5.006 ( 0.000 0.000 13.992) 13.992 5.071 ( 0.000 0.000 9.619) 9.619 5.094 ( 0.000 0.000 0.569) 0.569 5.394 ( 0.000 0.000 -0.887) 0.887 5.474 ( 0.000 0.000 1.696) 1.696 5.495 ( 0.000 0.000 4.392) 4.392 5.857 ( 0.000 0.000 -11.087) 11.087 5.993 ( 0.000 0.000 -7.968) 7.968 6.202 ( 0.000 0.000 -5.828) 5.828 6.351 ( 0.000 0.000 1.611) 1.611 6.552 ( 0.000 0.000 3.070) 3.070 6.556 ( 0.000 0.000 -8.885) 8.885 6.737 ( 0.000 0.000 2.391) 2.391 6.865 ( 0.000 0.000 0.559) 0.559 6.879 ( 0.000 0.000 -8.876) 8.876 6.921 ( 0.000 0.000 -3.296) 3.296 6.991 ( 0.000 0.000 -4.004) 4.004 7.508 ( 0.000 0.000 -9.305) 9.305 7.567 ( 0.000 0.000 -4.307) 4.307 7.707 ( 0.000 0.000 0.563) 0.563 7.971 ( 0.000 0.000 6.295) 6.295 8.174 ( 0.000 0.000 -2.299) 2.299 8.325 ( 0.000 0.000 0.515) 0.515 8.338 ( 0.000 0.000 5.749) 5.749 8.508 ( 0.000 0.000 5.173) 5.173 8.516 ( 0.000 0.000 6.302) 6.302 8.680 ( 0.000 0.000 -0.020) 0.020 8.831 ( 0.000 0.000 3.537) 3.537 9.049 ( 0.000 0.000 -5.786) 5.786 9.164 ( 0.000 0.000 -1.153) 1.153 9.230 ( 0.000 0.000 -6.006) 6.006 11.350 ( 0.000 0.000 3.929) 3.929 11.445 ( 0.000 0.000 8.027) 8.027 11.607 ( 0.000 0.000 -1.110) 1.110 12.077 ( 0.000 0.000 -2.619) 2.619 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 10.242 0.000 14.512) 17.762 1.367 ( 10.566 0.000 16.460) 19.559 1.596 ( 3.632 0.000 16.637) 17.029 1.935 ( -0.144 0.000 10.994) 10.995 2.055 ( 12.889 0.000 10.946) 16.910 2.120 ( 0.357 0.000 -8.173) 8.181 2.199 ( 6.884 0.000 -10.112) 12.232 2.372 ( -10.795 0.000 -2.372) 11.052 2.499 ( 7.545 0.000 7.644) 10.741 2.692 ( -0.557 0.000 11.230) 11.244 2.893 ( -1.519 0.000 3.123) 3.473 2.946 ( -4.764 0.000 12.916) 13.767 3.189 ( -14.535 0.000 -2.892) 14.819 3.475 ( -5.969 0.000 -1.070) 6.064 3.600 ( -2.534 0.000 -3.553) 4.364 3.788 ( 2.107 0.000 7.148) 7.453 3.817 ( 4.109 0.000 3.535) 5.421 3.979 ( 8.238 0.000 5.540) 9.927 4.066 ( -14.667 0.000 -5.899) 15.808 4.184 ( -0.759 0.000 5.109) 5.165 4.262 ( 1.672 0.000 12.456) 12.568 4.541 ( -0.613 0.000 -8.155) 8.178 4.559 ( 0.858 0.000 2.032) 2.206 4.606 ( -4.309 0.000 -3.782) 5.733 4.822 ( -2.428 0.000 5.909) 6.389 4.956 ( -7.476 0.000 3.406) 8.215 5.093 ( 3.973 0.000 11.357) 12.032 5.307 ( 19.533 0.000 11.580) 22.707 5.322 ( -5.049 0.000 -8.596) 9.969 5.372 ( 1.233 0.000 5.585) 5.720 5.453 ( -3.469 0.000 3.710) 5.080 5.917 ( -2.260 0.000 -11.557) 11.776 6.125 ( 8.827 0.000 2.185) 9.094 6.178 ( -1.585 0.000 -3.747) 4.068 6.340 ( -1.998 0.000 3.599) 4.116 6.378 ( -9.031 0.000 -6.067) 10.880 6.636 ( 5.240 0.000 -3.703) 6.416 6.755 ( 2.737 0.000 1.636) 3.188 6.846 ( -1.320 0.000 -1.009) 1.662 6.849 ( -2.573 0.000 -3.098) 4.027 7.026 ( 2.837 0.000 -3.349) 4.389 7.129 ( 11.798 0.000 -3.041) 12.184 7.248 ( -13.731 0.000 -1.828) 13.852 7.659 ( 3.571 0.000 -3.934) 5.313 7.723 ( 1.740 0.000 -1.576) 2.348 8.013 ( -7.615 0.000 7.949) 11.008 8.164 ( 5.146 0.000 2.022) 5.529 8.200 ( -4.167 0.000 -3.747) 5.604 8.341 ( 0.711 0.000 2.640) 2.735 8.552 ( 3.534 0.000 4.322) 5.583 8.596 ( 3.118 0.000 0.513) 3.160 8.679 ( -0.129 0.000 -0.296) 0.322 8.854 ( 2.552 0.000 4.386) 5.074 8.991 ( -4.782 0.000 -6.862) 8.364 9.194 ( -3.984 0.000 -7.859) 8.811 9.199 ( 2.283 0.000 -0.852) 2.436 11.476 ( 3.012 0.000 7.088) 7.702 11.530 ( 11.623 0.000 -2.509) 11.890 11.573 ( -2.785 0.000 -3.135) 4.193 12.045 ( -2.970 0.000 -3.663) 4.716 ======================= Grid point 72 (27/60) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 8.444 0.000 2.440) 8.789 1.587 ( 9.425 0.000 7.626) 12.123 1.765 ( 10.277 0.000 2.427) 10.560 1.958 ( 2.057 0.000 6.654) 6.965 2.034 ( -5.507 0.000 -13.287) 14.383 2.183 ( 2.234 0.000 -7.726) 8.042 2.287 ( -0.705 0.000 -12.803) 12.822 2.357 ( 6.393 0.000 -16.703) 17.885 2.556 ( -11.766 0.000 2.485) 12.026 2.771 ( 11.045 0.000 0.113) 11.045 2.974 ( -6.850 0.000 5.499) 8.785 2.986 ( 7.807 0.000 -2.594) 8.227 2.996 ( 18.063 0.000 17.333) 25.035 3.362 ( -5.510 0.000 -8.968) 10.525 3.556 ( -3.498 0.000 -0.595) 3.548 3.710 ( -5.597 0.000 -10.494) 11.893 3.801 ( -4.786 0.000 -1.399) 4.986 3.891 ( 1.346 0.000 -4.953) 5.133 4.118 ( 0.824 0.000 0.413) 0.922 4.226 ( 8.228 0.000 2.297) 8.542 4.303 ( -1.746 0.000 11.941) 12.068 4.427 ( -9.950 0.000 -5.862) 11.548 4.494 ( -5.153 0.000 -2.154) 5.585 4.558 ( -0.703 0.000 -13.365) 13.384 4.793 ( 2.781 0.000 3.881) 4.774 4.893 ( -2.575 0.000 0.262) 2.589 5.114 ( -0.588 0.000 4.873) 4.909 5.207 ( -7.178 0.000 -12.976) 14.829 5.410 ( 0.735 0.000 3.355) 3.434 5.517 ( 9.970 0.000 5.536) 11.404 5.651 ( 8.290 0.000 2.499) 8.658 5.837 ( -2.909 0.000 -5.234) 5.988 6.154 ( -7.294 0.000 5.698) 9.256 6.224 ( 8.606 0.000 7.495) 11.412 6.237 ( -7.226 0.000 8.206) 10.934 6.304 ( 1.952 0.000 -0.430) 1.999 6.689 ( 1.690 0.000 -0.222) 1.705 6.784 ( -2.916 0.000 1.268) 3.180 6.817 ( -0.086 0.000 0.558) 0.564 6.864 ( 3.165 0.000 -2.191) 3.849 7.095 ( -0.261 0.000 -5.357) 5.363 7.132 ( 8.268 0.000 9.772) 12.800 7.266 ( 0.496 0.000 5.518) 5.540 7.672 ( -3.976 0.000 -0.157) 3.980 7.791 ( 4.958 0.000 -3.239) 5.922 7.863 ( -2.773 0.000 2.196) 3.537 8.088 ( -5.585 0.000 -2.818) 6.255 8.259 ( -0.300 0.000 1.993) 2.015 8.382 ( 3.530 0.000 -2.675) 4.429 8.621 ( 2.919 0.000 1.102) 3.120 8.645 ( 2.715 0.000 -3.799) 4.669 8.667 ( -1.382 0.000 -1.485) 2.029 8.873 ( -6.477 0.000 -8.206) 10.455 8.948 ( 6.583 0.000 5.174) 8.373 9.067 ( -8.073 0.000 -10.634) 13.351 9.230 ( 0.332 0.000 -0.050) 0.335 11.523 ( -1.128 0.000 -7.983) 8.062 11.566 ( 5.673 0.000 3.907) 6.888 11.671 ( 1.639 0.000 -6.528) 6.730 11.961 ( -5.172 0.000 -5.388) 7.468 ======================= Grid point 73 (28/60) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 10.459 0.000 -8.870) 13.713 1.671 ( -12.618 0.000 -11.859) 17.316 1.768 ( 10.117 0.000 1.845) 10.284 2.022 ( -13.980 0.000 -1.460) 14.056 2.061 ( 5.730 0.000 -0.634) 5.765 2.143 ( 4.816 0.000 -7.360) 8.796 2.380 ( 10.453 0.000 -15.732) 18.888 2.402 ( 4.296 0.000 0.883) 4.386 2.508 ( 0.597 0.000 -21.326) 21.335 2.700 ( -16.529 0.000 -4.135) 17.038 2.984 ( 9.959 0.000 -12.490) 15.974 3.169 ( -7.353 0.000 -10.661) 12.951 3.292 ( 16.792 0.000 -8.100) 18.644 3.302 ( 5.123 0.000 -4.116) 6.571 3.411 ( -5.623 0.000 -6.581) 8.656 3.612 ( -13.456 0.000 -10.591) 17.124 3.843 ( 9.322 0.000 -3.814) 10.072 4.096 ( -14.456 0.000 -5.033) 15.307 4.135 ( 14.258 0.000 -4.749) 15.028 4.135 ( 12.148 0.000 -3.896) 12.758 4.229 ( -7.194 0.000 -3.872) 8.170 4.408 ( 7.210 0.000 -0.621) 7.236 4.488 ( -1.835 0.000 3.764) 4.188 4.518 ( -3.547 0.000 -6.899) 7.758 4.770 ( -5.434 0.000 3.169) 6.291 4.786 ( -9.692 0.000 -5.262) 11.028 5.067 ( 0.949 0.000 -3.448) 3.576 5.117 ( -2.087 0.000 -0.771) 2.225 5.491 ( 6.468 0.000 -0.494) 6.486 5.633 ( -6.208 0.000 -4.066) 7.421 5.729 ( 10.514 0.000 4.920) 11.608 5.866 ( 5.860 0.000 2.910) 6.543 5.944 ( -10.641 0.000 7.446) 12.987 6.052 ( -10.507 0.000 6.820) 12.526 6.362 ( 5.418 0.000 1.996) 5.774 6.434 ( 1.586 0.000 4.129) 4.423 6.729 ( 2.095 0.000 2.965) 3.630 6.776 ( -2.585 0.000 4.172) 4.908 6.847 ( 12.408 0.000 13.873) 18.612 6.964 ( 5.941 0.000 -1.554) 6.141 7.064 ( -3.111 0.000 -1.424) 3.422 7.141 ( -12.124 0.000 13.617) 18.232 7.367 ( 10.796 0.000 8.228) 13.574 7.541 ( -7.247 0.000 5.275) 8.963 7.877 ( 3.201 0.000 -5.440) 6.312 7.923 ( 4.905 0.000 -3.656) 6.118 7.987 ( -1.271 0.000 -1.608) 2.050 8.150 ( -9.317 0.000 3.370) 9.908 8.485 ( 6.262 0.000 -6.300) 8.882 8.608 ( -4.772 0.000 -4.527) 6.578 8.675 ( 2.663 0.000 -1.960) 3.307 8.733 ( 6.122 0.000 -8.037) 10.103 8.748 ( -4.994 0.000 -5.907) 7.736 8.889 ( -8.745 0.000 -10.890) 13.967 9.094 ( 6.785 0.000 3.546) 7.656 9.200 ( -3.374 0.000 1.382) 3.646 11.546 ( 3.268 0.000 -11.067) 11.539 11.632 ( -4.203 0.000 -9.730) 10.599 11.698 ( 7.009 0.000 -1.001) 7.080 11.840 ( -6.617 0.000 -4.863) 8.211 ======================= Grid point 77 (29/60) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 0.000 19.815 6.684) 20.912 1.416 ( 0.000 15.245 22.307) 27.019 1.712 ( 0.000 7.977 19.314) 20.897 1.865 ( 0.000 0.083 16.692) 16.693 1.897 ( 0.000 -7.654 -20.567) 21.945 2.192 ( 0.000 19.199 17.075) 25.693 2.401 ( 0.000 -6.123 1.005) 6.205 2.422 ( 0.000 -3.279 -0.357) 3.298 2.442 ( 0.000 -8.093 3.746) 8.918 2.525 ( 0.000 3.757 0.502) 3.791 2.782 ( 0.000 -15.419 11.966) 19.517 2.841 ( 0.000 5.352 10.296) 11.604 3.594 ( 0.000 -10.702 8.675) 13.776 3.642 ( 0.000 7.103 19.062) 20.343 3.646 ( 0.000 4.681 0.244) 4.688 3.769 ( 0.000 17.013 4.068) 17.493 3.774 ( 0.000 10.453 2.257) 10.694 4.009 ( 0.000 -6.987 12.398) 14.231 4.034 ( 0.000 11.883 5.833) 13.237 4.259 ( 0.000 -1.456 3.350) 3.653 4.441 ( 0.000 -0.964 2.146) 2.353 4.591 ( 0.000 4.174 -9.345) 10.235 4.609 ( 0.000 -0.042 5.831) 5.831 4.671 ( 0.000 6.717 -2.085) 7.033 4.907 ( 0.000 12.194 7.096) 14.108 4.925 ( 0.000 -4.819 9.975) 11.078 5.074 ( 0.000 -0.621 11.812) 11.828 5.124 ( 0.000 -12.518 8.860) 15.336 5.214 ( 0.000 8.036 -0.850) 8.081 5.383 ( 0.000 -2.010 0.660) 2.116 5.718 ( 0.000 4.702 -3.567) 5.902 5.860 ( 0.000 0.852 -11.388) 11.419 6.010 ( 0.000 1.946 -6.845) 7.117 6.245 ( 0.000 -8.552 3.156) 9.116 6.249 ( 0.000 3.423 -3.724) 5.058 6.449 ( 0.000 -9.683 1.924) 9.873 6.595 ( 0.000 -0.250 -9.652) 9.656 6.637 ( 0.000 -9.487 1.705) 9.639 6.788 ( 0.000 -1.158 -4.394) 4.544 6.880 ( 0.000 -0.241 -10.053) 10.056 7.012 ( 0.000 2.321 -3.161) 3.922 7.044 ( 0.000 6.684 -1.450) 6.839 7.462 ( 0.000 -4.007 -7.948) 8.901 7.533 ( 0.000 -3.117 -3.938) 5.022 7.674 ( 0.000 -2.234 1.843) 2.896 7.924 ( 0.000 -4.996 8.101) 9.518 8.076 ( 0.000 -6.896 -2.352) 7.286 8.162 ( 0.000 -10.284 5.672) 11.745 8.366 ( 0.000 2.358 5.443) 5.932 8.504 ( 0.000 -1.097 5.792) 5.895 8.589 ( 0.000 6.661 4.781) 8.199 8.755 ( 0.000 3.472 -0.429) 3.498 8.857 ( 0.000 2.372 2.903) 3.749 9.070 ( 0.000 1.896 -5.610) 5.922 9.137 ( 0.000 -2.550 -1.090) 2.773 9.221 ( 0.000 -1.094 -5.746) 5.849 11.421 ( 0.000 4.909 -1.169) 5.047 11.464 ( 0.000 1.623 5.901) 6.120 11.639 ( 0.000 3.015 -1.188) 3.241 12.019 ( 0.000 -5.236 -2.444) 5.779 ======================= Grid point 78 (30/60) ======================= q-point: ( 0.14 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 8.550 18.668 3.738) 20.870 1.498 ( 7.022 11.436 16.505) 21.272 1.679 ( -0.158 4.607 14.012) 14.751 1.921 ( 2.435 -3.416 -5.941) 7.273 1.980 ( 5.227 -0.535 -6.445) 8.315 2.209 ( -0.630 -8.284 2.950) 8.816 2.298 ( -4.956 3.994 -4.011) 7.524 2.364 ( 1.922 11.755 7.565) 14.110 2.541 ( 6.454 -7.097 11.398) 14.897 2.615 ( -1.625 -2.359 4.023) 4.939 2.701 ( 3.525 0.032 3.552) 5.004 2.957 ( 5.599 -5.231 8.548) 11.480 3.294 ( -12.436 6.981 7.416) 16.074 3.562 ( -12.466 11.923 9.717) 19.799 3.648 ( -0.003 6.994 -0.899) 7.051 3.775 ( 1.287 3.150 3.240) 4.698 3.934 ( 8.865 4.126 5.650) 11.293 4.014 ( 1.055 -4.727 1.713) 5.137 4.073 ( 0.309 11.454 2.456) 11.719 4.212 ( -2.391 -0.644 5.259) 5.813 4.355 ( -4.729 2.852 3.391) 6.481 4.545 ( -5.026 2.561 -1.820) 5.927 4.629 ( 1.669 4.070 -0.518) 4.430 4.686 ( 0.725 6.685 -6.851) 9.599 4.869 ( -1.208 5.197 6.353) 8.296 5.013 ( 4.762 -3.981 8.912) 10.860 5.038 ( -5.556 0.491 4.834) 7.381 5.193 ( -3.355 -1.848 2.412) 4.526 5.311 ( -0.399 -1.083 -5.253) 5.378 5.317 ( 16.126 1.291 10.193) 19.121 5.613 ( -4.032 6.882 -1.368) 8.092 5.912 ( -1.198 -0.681 -10.778) 10.865 6.079 ( 5.261 -1.597 2.609) 6.086 6.233 ( -0.433 1.717 -1.496) 2.318 6.246 ( -0.768 -5.672 3.872) 6.910 6.413 ( -6.204 -2.330 -3.193) 7.356 6.561 ( 1.409 -6.326 -4.444) 7.858 6.660 ( 2.492 -8.864 -0.753) 9.238 6.782 ( -0.263 -1.329 -3.586) 3.834 6.890 ( -0.679 -0.177 -3.029) 3.109 7.008 ( 1.573 -0.720 -3.013) 3.474 7.100 ( -3.811 -2.670 -2.819) 5.440 7.314 ( -0.274 5.321 -0.405) 5.343 7.620 ( 3.006 -3.524 -3.080) 5.562 7.681 ( 1.403 -2.998 -0.625) 3.368 7.924 ( -6.072 -7.323 6.585) 11.569 8.089 ( -1.882 -6.810 4.163) 8.200 8.129 ( 4.598 -4.296 -3.166) 7.044 8.379 ( 1.312 2.977 2.615) 4.174 8.547 ( 2.529 -2.114 2.761) 4.299 8.632 ( 3.668 6.036 4.090) 8.162 8.752 ( -0.301 3.857 -0.833) 3.957 8.871 ( 1.657 1.664 3.386) 4.121 9.008 ( -4.744 1.454 -6.389) 8.089 9.170 ( 0.671 -2.195 -2.863) 3.670 9.182 ( -2.813 -1.681 -5.545) 6.441 11.483 ( 2.916 1.062 4.284) 5.290 11.544 ( 7.557 0.723 -2.287) 7.929 11.606 ( -2.676 3.087 -3.120) 5.140 11.988 ( -2.885 -5.207 -3.594) 6.954 ======================= Grid point 79 (31/60) ======================= q-point: ( 0.29 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 5.597 16.454 -0.965) 17.406 1.632 ( 4.509 4.864 10.478) 12.401 1.803 ( 10.975 1.964 -1.559) 11.258 1.940 ( 0.040 -1.558 -6.898) 7.072 2.034 ( -1.473 -3.910 -10.991) 11.759 2.193 ( -5.809 -2.540 -2.895) 6.970 2.241 ( 4.351 3.915 -10.350) 11.891 2.363 ( 5.521 1.715 -11.838) 13.174 2.565 ( 1.363 -9.096 0.902) 9.241 2.688 ( -2.701 -7.785 2.007) 8.481 2.806 ( 1.634 -2.093 -2.577) 3.700 3.129 ( 10.761 4.330 3.929) 12.247 3.244 ( 6.910 15.029 1.217) 16.586 3.345 ( -4.140 10.413 5.026) 12.282 3.632 ( -4.172 6.261 2.003) 7.786 3.744 ( 0.356 5.164 -5.977) 7.906 3.936 ( -6.109 6.086 -9.845) 13.088 4.033 ( -2.958 12.194 -2.690) 12.832 4.127 ( 5.892 -2.807 -1.365) 6.668 4.239 ( 2.988 2.244 8.779) 9.542 4.305 ( -0.494 -0.787 2.537) 2.702 4.380 ( -6.886 4.761 0.837) 8.413 4.642 ( -4.038 9.732 -9.451) 14.153 4.727 ( 2.080 10.766 -6.427) 12.710 4.823 ( 1.294 3.215 0.650) 3.526 4.964 ( -2.290 6.747 2.972) 7.720 5.058 ( 1.514 -5.752 3.041) 6.681 5.145 ( -4.100 -1.669 -4.197) 6.100 5.342 ( 3.820 -5.039 -0.947) 6.394 5.546 ( 2.767 -1.037 -0.518) 3.000 5.652 ( 6.125 3.582 3.859) 8.077 5.864 ( -1.139 1.862 -3.067) 3.765 6.107 ( -4.433 -3.749 5.751) 8.172 6.203 ( -4.253 -2.283 10.264) 11.342 6.264 ( 4.970 2.351 5.969) 8.115 6.320 ( -0.614 0.223 -1.126) 1.302 6.584 ( 1.130 -9.802 0.988) 9.917 6.678 ( -1.252 -8.564 -0.010) 8.655 6.759 ( -2.715 -6.882 -1.832) 7.622 6.884 ( 1.580 -0.728 0.589) 1.837 7.024 ( -0.308 -2.621 -1.881) 3.241 7.113 ( 9.502 -1.373 6.167) 11.410 7.355 ( -0.258 5.229 5.658) 7.709 7.634 ( -2.400 -3.746 -0.521) 4.479 7.743 ( 3.987 -3.749 -3.795) 6.660 7.805 ( -2.533 -3.588 2.684) 5.147 8.001 ( -5.080 -6.144 -2.194) 8.269 8.208 ( -0.453 -4.593 1.922) 4.999 8.425 ( 3.413 3.362 -2.498) 5.403 8.596 ( 2.700 -1.889 -1.073) 3.466 8.702 ( 2.366 5.875 0.109) 6.335 8.738 ( -1.128 4.397 -2.231) 5.058 8.897 ( -5.699 2.009 -7.320) 9.492 8.944 ( 5.415 -0.336 4.082) 6.789 9.054 ( -7.485 -1.126 -10.133) 12.648 9.200 ( 0.228 -2.868 -0.194) 2.883 11.541 ( 0.350 1.650 -4.761) 5.051 11.573 ( 2.744 0.857 -0.925) 3.020 11.649 ( 1.756 -1.686 -5.183) 5.726 11.909 ( -4.709 -4.779 -5.585) 8.730 ======================= Grid point 80 (32/60) ======================= q-point: ( 0.43 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 7.178 12.293 -8.123) 16.390 1.705 ( 3.181 1.173 1.767) 3.823 1.785 ( -6.868 6.532 -11.227) 14.693 1.858 ( -8.434 -5.080 -1.976) 10.042 2.130 ( 10.016 -3.509 -8.065) 13.329 2.256 ( 5.312 1.625 -4.298) 7.023 2.380 ( 2.603 -0.273 -11.027) 11.333 2.416 ( -2.723 -7.031 -8.476) 11.344 2.552 ( 5.000 5.695 -13.758) 15.707 2.635 ( -1.991 -1.285 -5.341) 5.843 2.883 ( 6.450 -4.757 -11.291) 13.846 3.051 ( -9.596 -2.635 -6.288) 11.772 3.360 ( -1.124 5.425 -10.230) 11.634 3.398 ( -0.935 5.785 -8.353) 10.204 3.568 ( 7.077 9.016 -5.724) 12.812 3.760 ( -8.582 5.195 -21.474) 23.701 3.959 ( 3.617 3.459 -1.984) 5.384 3.984 ( 0.929 9.421 -4.051) 10.297 4.105 ( 4.208 6.045 -2.014) 7.636 4.270 ( -3.325 6.969 2.340) 8.069 4.368 ( 5.202 -2.567 1.724) 6.052 4.383 ( 5.037 3.922 1.676) 6.600 4.560 ( -0.139 10.328 -5.058) 11.501 4.709 ( -6.079 11.440 -3.604) 13.447 4.866 ( -1.589 7.944 -2.424) 8.456 4.901 ( -3.877 11.271 0.248) 11.922 5.044 ( 0.382 -0.105 -5.602) 5.616 5.081 ( -0.629 -1.355 0.847) 1.717 5.445 ( 6.208 -4.754 -0.523) 7.837 5.558 ( -3.071 -5.969 -2.990) 7.349 5.757 ( 6.973 2.277 4.874) 8.807 5.880 ( 3.510 1.155 2.983) 4.749 5.937 ( -9.375 -0.625 7.863) 12.252 6.035 ( -9.855 -1.318 6.873) 12.088 6.372 ( 5.298 0.697 1.834) 5.649 6.434 ( 2.944 -0.197 4.118) 5.066 6.601 ( 1.402 -9.386 4.011) 10.303 6.651 ( -1.940 -10.522 4.648) 11.665 6.738 ( 4.279 -10.903 4.353) 12.495 6.880 ( -5.539 -11.222 3.119) 12.897 7.093 ( 8.916 6.911 5.385) 12.500 7.278 ( -6.638 6.288 7.572) 11.872 7.346 ( 10.120 -1.630 9.125) 13.723 7.520 ( -7.419 -1.948 5.343) 9.348 7.797 ( 3.015 -5.435 -5.663) 8.409 7.864 ( 0.543 -4.382 -4.058) 5.998 7.922 ( 2.932 -4.840 -1.033) 5.752 8.100 ( -9.094 -4.466 3.037) 10.577 8.523 ( 6.025 3.032 -6.313) 9.238 8.643 ( -3.293 2.548 -3.850) 5.670 8.685 ( 2.241 -0.250 -6.887) 7.247 8.746 ( -0.324 3.014 -2.740) 4.086 8.811 ( -0.873 4.419 -5.639) 7.217 8.890 ( -7.056 0.792 -9.751) 12.062 9.076 ( 6.058 -1.715 2.776) 6.880 9.172 ( -3.066 -2.692 1.025) 4.207 11.556 ( 2.221 1.159 -10.359) 10.657 11.614 ( -2.355 -1.115 -8.482) 8.873 11.687 ( 5.138 -1.243 -2.559) 5.873 11.802 ( -5.634 -3.451 -5.469) 8.577 ======================= Grid point 84 (33/60) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 0.000 14.001 -5.577) 15.071 1.772 ( 0.000 1.155 -13.449) 13.499 1.803 ( 0.000 6.801 14.278) 15.815 1.829 ( 0.000 10.552 10.467) 14.862 1.931 ( 0.000 5.241 8.149) 9.688 1.975 ( 0.000 -11.669 4.082) 12.362 2.180 ( 0.000 -12.325 -0.029) 12.325 2.257 ( 0.000 -17.305 10.931) 20.469 2.668 ( 0.000 6.901 -3.407) 7.696 2.699 ( 0.000 7.531 10.130) 12.622 2.747 ( 0.000 9.134 18.256) 20.414 2.828 ( 0.000 -5.989 0.544) 6.014 3.468 ( 0.000 6.456 13.113) 14.616 3.748 ( 0.000 -8.860 14.190) 16.728 3.769 ( 0.000 5.278 14.490) 15.421 3.818 ( 0.000 -1.528 17.306) 17.374 3.987 ( 0.000 7.963 3.155) 8.565 4.117 ( 0.000 -3.030 6.340) 7.027 4.233 ( 0.000 8.407 6.923) 10.890 4.252 ( 0.000 6.565 4.304) 7.850 4.452 ( 0.000 4.573 0.656) 4.619 4.565 ( 0.000 -4.801 -0.218) 4.806 4.657 ( 0.000 0.947 5.744) 5.821 4.683 ( 0.000 -2.502 5.110) 5.689 4.972 ( 0.000 12.079 5.467) 13.259 5.026 ( 0.000 1.088 3.682) 3.839 5.061 ( 0.000 1.213 7.775) 7.869 5.155 ( 0.000 2.906 2.701) 3.968 5.332 ( 0.000 3.619 -2.138) 4.203 5.463 ( 0.000 5.843 -1.722) 6.091 5.689 ( 0.000 -0.044 -3.510) 3.510 5.916 ( 0.000 3.907 -10.265) 10.983 6.046 ( 0.000 -8.186 -0.712) 8.217 6.067 ( 0.000 -16.915 0.467) 16.921 6.111 ( 0.000 4.342 -2.911) 5.228 6.362 ( 0.000 -14.817 0.287) 14.819 6.387 ( 0.000 5.304 -2.025) 5.678 6.511 ( 0.000 -5.912 -3.996) 7.136 6.824 ( 0.000 2.630 -9.883) 10.227 6.865 ( 0.000 -1.230 -10.614) 10.685 7.083 ( 0.000 3.878 -4.460) 5.910 7.135 ( 0.000 0.535 -5.103) 5.131 7.393 ( 0.000 -0.389 -3.434) 3.455 7.450 ( 0.000 -4.261 -2.876) 5.141 7.660 ( 0.000 1.806 4.337) 4.698 7.766 ( 0.000 -7.849 6.795) 10.381 7.985 ( 0.000 -1.631 2.013) 2.591 8.006 ( 0.000 -3.985 5.924) 7.139 8.422 ( 0.000 2.681 5.170) 5.824 8.471 ( 0.000 -1.972 5.319) 5.673 8.727 ( 0.000 4.991 3.992) 6.391 8.783 ( 0.000 -0.637 2.156) 2.248 8.936 ( 0.000 5.257 1.081) 5.367 9.055 ( 0.000 -5.207 -0.321) 5.217 9.122 ( 0.000 2.843 -5.296) 6.011 9.181 ( 0.000 -2.539 -5.347) 5.919 11.497 ( 0.000 1.832 -2.430) 3.044 11.500 ( 0.000 1.270 1.502) 1.967 11.732 ( 0.000 5.855 -1.725) 6.104 11.878 ( 0.000 -7.511 -2.108) 7.801 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.14 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 6.176 11.779 -8.102) 15.574 1.752 ( -2.691 7.165 15.558) 17.339 1.782 ( -0.983 6.822 17.155) 18.488 1.859 ( 5.105 -4.462 -25.273) 26.166 1.929 ( 1.128 0.162 2.572) 2.813 2.118 ( 9.561 2.237 -1.481) 9.930 2.139 ( -2.022 -14.210 3.064) 14.676 2.314 ( 2.418 -11.693 2.500) 12.199 2.499 ( -9.468 6.620 0.053) 11.552 2.655 ( -5.871 -3.436 5.149) 8.531 2.814 ( 4.949 5.716 4.784) 8.947 2.904 ( 4.097 -1.591 7.305) 8.525 3.491 ( 3.593 14.909 11.171) 18.973 3.725 ( -2.359 6.800 9.439) 11.870 3.795 ( 2.755 -6.824 7.572) 10.559 3.825 ( 0.693 -2.353 12.943) 13.174 4.005 ( 2.355 6.644 8.505) 11.047 4.105 ( 0.582 1.219 4.262) 4.471 4.134 ( -6.357 6.783 4.242) 10.218 4.290 ( -0.516 0.023 3.665) 3.701 4.431 ( -2.203 7.430 -1.598) 7.913 4.543 ( -2.453 -2.870 -1.437) 4.039 4.684 ( 3.528 -0.507 4.073) 5.412 4.718 ( 4.763 -3.173 2.689) 6.323 4.982 ( 1.054 9.854 3.930) 10.661 5.016 ( -0.025 4.307 -0.154) 4.310 5.068 ( -0.331 1.829 0.210) 1.871 5.189 ( -2.559 -4.207 3.551) 6.071 5.376 ( 2.450 10.296 -0.021) 10.584 5.512 ( 7.392 11.632 0.455) 13.790 5.724 ( 3.629 5.983 -1.885) 7.247 5.889 ( -2.699 0.085 -8.238) 8.669 5.970 ( -2.156 -15.571 2.440) 15.908 6.124 ( 1.570 -7.543 -2.016) 7.964 6.144 ( 2.844 -4.864 2.727) 6.260 6.330 ( -2.114 -3.168 0.746) 3.881 6.397 ( -0.101 -6.538 0.072) 6.539 6.468 ( -3.940 -5.136 -5.162) 8.279 6.806 ( -2.724 2.459 -8.124) 8.914 6.856 ( -1.839 -2.220 -6.757) 7.346 7.010 ( -1.787 0.751 -0.522) 2.008 7.041 ( -6.274 -2.322 -1.715) 6.906 7.430 ( 3.428 5.063 -0.158) 6.116 7.526 ( 2.541 -4.577 -1.929) 5.579 7.658 ( 0.662 1.664 1.804) 2.542 7.759 ( -1.537 -7.349 3.852) 8.438 7.993 ( -0.645 -0.801 3.551) 3.697 8.038 ( 3.985 -4.043 0.641) 5.713 8.445 ( 1.977 3.001 2.867) 4.597 8.501 ( 2.281 -2.344 3.149) 4.540 8.758 ( 2.978 4.297 3.827) 6.479 8.796 ( 1.346 0.275 1.752) 2.226 8.937 ( 0.087 4.923 0.822) 4.992 9.028 ( -3.113 -1.257 -3.341) 4.736 9.114 ( -0.240 -1.561 -3.230) 3.595 9.137 ( -4.077 -2.261 -6.637) 8.110 11.519 ( 2.214 1.948 0.801) 3.056 11.547 ( 3.487 -0.590 -1.584) 3.875 11.700 ( -2.792 5.894 -3.540) 7.421 11.847 ( -2.800 -7.561 -3.554) 8.811 ======================= Grid point 86 (35/60) ======================= q-point: ( 0.29 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 1.768 4.503 7.252) 8.718 1.765 ( 1.041 7.264 -0.082) 7.339 1.825 ( 9.025 2.211 -7.661) 12.043 1.915 ( -0.067 -1.677 -2.102) 2.690 2.023 ( 3.921 5.212 -15.487) 16.805 2.083 ( -0.611 -3.691 -5.972) 7.047 2.258 ( 1.368 -7.808 -8.817) 11.857 2.292 ( -5.485 -11.057 -1.894) 12.487 2.427 ( 6.216 4.973 -4.505) 9.147 2.538 ( -2.807 -4.197 0.403) 5.066 2.874 ( 2.373 5.861 -4.719) 7.890 3.027 ( 6.371 -7.651 -5.588) 11.418 3.589 ( 2.233 11.219 -0.912) 11.475 3.634 ( -7.084 9.016 -1.174) 11.526 3.767 ( -3.909 5.762 9.093) 11.452 3.832 ( -6.200 1.161 -0.682) 6.344 4.028 ( 0.593 -0.429 -4.532) 4.591 4.106 ( 3.882 -4.999 7.195) 9.582 4.182 ( 8.764 11.084 5.330) 15.102 4.302 ( 5.899 2.200 2.259) 6.689 4.407 ( -0.299 6.330 -3.928) 7.456 4.465 ( -4.828 1.484 -4.882) 7.024 4.760 ( 2.083 1.412 -2.321) 3.424 4.833 ( 3.116 -4.747 0.123) 5.680 4.952 ( -3.058 8.343 -4.308) 9.875 5.002 ( -0.485 3.215 -2.279) 3.970 5.082 ( 4.034 2.651 3.965) 6.246 5.181 ( 3.896 -5.503 0.204) 6.746 5.397 ( 0.131 21.585 -1.247) 21.621 5.637 ( 0.621 14.237 -2.592) 14.485 5.783 ( 1.915 8.431 2.498) 8.999 5.867 ( 1.199 -2.728 0.863) 3.102 5.950 ( -0.788 -16.374 5.118) 17.173 6.146 ( -0.988 -8.689 2.627) 9.131 6.190 ( 1.213 -8.609 6.311) 10.743 6.314 ( 1.470 1.696 3.919) 4.516 6.347 ( -3.852 -9.601 1.633) 10.473 6.385 ( -2.981 -11.071 -0.378) 11.472 6.698 ( -6.435 1.355 -2.254) 6.952 6.780 ( -4.992 -5.926 -0.685) 7.779 7.039 ( 5.309 1.978 1.235) 5.798 7.079 ( 8.362 -1.809 3.776) 9.351 7.447 ( -1.536 3.936 4.659) 6.290 7.535 ( -1.622 -4.626 0.691) 4.950 7.690 ( 2.252 -0.553 -2.912) 3.722 7.730 ( -0.073 -3.803 -0.396) 3.824 7.960 ( -3.048 3.510 0.835) 4.723 8.083 ( -1.146 -6.731 1.762) 7.051 8.497 ( 3.325 3.172 -1.947) 4.991 8.553 ( 3.137 -2.246 -1.316) 4.076 8.819 ( -0.292 2.783 -0.593) 2.861 8.824 ( 1.623 3.531 0.508) 3.920 8.935 ( -2.562 1.452 -3.048) 4.238 8.952 ( -0.010 1.068 -1.906) 2.185 9.035 ( -5.011 0.502 -7.639) 9.150 9.112 ( -0.335 -5.112 -1.195) 5.260 11.573 ( 2.788 1.349 -0.829) 3.206 11.604 ( 1.438 -1.098 -3.271) 3.738 11.643 ( -2.075 4.597 -7.092) 8.703 11.777 ( -3.666 -7.102 -6.296) 10.174 ======================= Grid point 87 (36/60) ======================= q-point: ( 0.43 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 2.417 6.661 4.086) 8.180 1.846 ( 5.267 5.889 -9.333) 12.228 1.857 ( -3.389 7.857 2.975) 9.059 1.972 ( -1.612 0.146 -10.968) 11.086 1.995 ( 2.762 3.902 -6.624) 8.169 2.121 ( -2.142 -10.119 -6.820) 12.389 2.177 ( -1.831 -12.228 -6.307) 13.880 2.230 ( -3.003 -11.871 -14.328) 18.847 2.653 ( 15.225 3.911 -13.495) 20.718 2.686 ( 14.810 1.203 -7.926) 16.840 2.895 ( -3.207 5.352 -12.157) 13.665 3.015 ( -10.529 -3.868 -9.385) 14.626 3.491 ( -4.358 7.174 -11.246) 14.033 3.529 ( -5.724 5.708 -14.614) 16.701 3.627 ( -3.430 -2.647 -9.718) 10.641 3.690 ( -5.943 -6.592 -16.815) 19.014 4.112 ( 7.055 8.284 0.157) 10.882 4.222 ( 2.433 4.368 2.418) 5.554 4.312 ( -1.186 0.818 -2.320) 2.731 4.382 ( -3.247 0.150 -1.886) 3.758 4.453 ( 10.550 14.453 1.049) 17.924 4.486 ( 6.507 10.608 2.629) 12.719 4.711 ( -2.424 1.123 -2.662) 3.772 4.795 ( -6.289 -4.691 -2.905) 8.366 4.996 ( 3.584 7.951 -2.808) 9.163 5.030 ( 0.953 6.096 -1.812) 6.430 5.171 ( 5.092 -1.212 0.779) 5.292 5.246 ( -0.575 -7.342 -1.849) 7.593 5.444 ( 6.245 26.069 1.715) 26.861 5.580 ( -5.224 18.151 -1.486) 18.946 5.816 ( 2.447 2.098 6.744) 7.475 5.887 ( -1.297 -2.500 7.296) 7.821 5.910 ( -0.537 -2.077 3.797) 4.361 6.018 ( -8.616 0.700 6.934) 11.082 6.220 ( 1.866 -24.442 1.798) 24.579 6.270 ( -3.148 -24.237 3.056) 24.631 6.399 ( 5.646 0.592 2.624) 6.254 6.437 ( 6.844 -2.328 5.131) 8.865 6.563 ( -6.098 -1.370 0.623) 6.281 6.643 ( -8.412 -8.359 2.264) 12.073 7.213 ( 10.242 4.355 6.637) 12.958 7.288 ( 9.896 -2.930 6.498) 12.196 7.383 ( -5.058 3.345 7.715) 9.813 7.455 ( -6.136 -3.733 4.789) 8.632 7.742 ( 3.928 0.723 -4.305) 5.872 7.805 ( 6.676 -3.988 -1.304) 7.885 7.859 ( -6.031 3.050 -1.062) 6.841 7.979 ( -8.248 -6.554 1.969) 10.717 8.590 ( 5.823 3.007 -5.957) 8.856 8.642 ( 5.610 -1.878 -5.083) 7.800 8.725 ( -6.784 2.996 -7.191) 10.330 8.773 ( -6.304 -1.109 -5.786) 8.628 8.920 ( 1.786 5.506 -2.284) 6.222 8.963 ( -2.345 5.767 -3.527) 7.156 9.019 ( 4.138 -3.720 0.725) 5.611 9.087 ( -2.278 -5.296 -0.198) 5.769 11.605 ( -0.104 3.222 -8.468) 9.061 11.609 ( 0.115 1.303 -6.764) 6.889 11.647 ( 2.327 -2.177 -5.063) 5.982 11.706 ( -3.226 -5.187 -7.016) 9.302 ======================= Grid point 105 (37/60) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 0.000 0.000 18.841) 18.841 1.632 ( 0.000 0.000 14.455) 14.455 1.902 ( 0.000 0.000 -4.868) 4.868 1.926 ( 0.000 0.000 -6.752) 6.752 1.943 ( 0.000 0.000 8.668) 8.668 1.991 ( 0.000 0.000 -4.395) 4.395 2.151 ( 0.000 0.000 5.130) 5.130 2.244 ( 0.000 0.000 -17.077) 17.077 2.787 ( 0.000 0.000 6.190) 6.190 2.865 ( 0.000 0.000 13.127) 13.127 2.956 ( 0.000 0.000 10.616) 10.616 3.122 ( 0.000 0.000 2.898) 2.898 3.528 ( 0.000 0.000 1.810) 1.810 3.646 ( 0.000 0.000 3.548) 3.548 3.667 ( 0.000 0.000 6.091) 6.091 3.768 ( 0.000 0.000 -0.149) 0.149 3.980 ( 0.000 0.000 16.653) 16.653 4.092 ( 0.000 0.000 11.471) 11.471 4.290 ( 0.000 0.000 3.182) 3.182 4.381 ( 0.000 0.000 11.395) 11.395 4.398 ( 0.000 0.000 -4.363) 4.363 4.517 ( 0.000 0.000 2.729) 2.729 4.525 ( 0.000 0.000 6.738) 6.738 4.665 ( 0.000 0.000 -5.836) 5.836 4.944 ( 0.000 0.000 4.090) 4.090 4.997 ( 0.000 0.000 -11.067) 11.067 5.237 ( 0.000 0.000 9.050) 9.050 5.292 ( 0.000 0.000 12.211) 12.211 5.364 ( 0.000 0.000 -1.071) 1.071 5.474 ( 0.000 0.000 -2.064) 2.064 5.546 ( 0.000 0.000 0.435) 0.435 5.629 ( 0.000 0.000 -11.032) 11.032 5.930 ( 0.000 0.000 4.031) 4.031 6.129 ( 0.000 0.000 -0.595) 0.595 6.331 ( 0.000 0.000 -4.980) 4.980 6.369 ( 0.000 0.000 -9.988) 9.988 6.597 ( 0.000 0.000 1.615) 1.615 6.717 ( 0.000 0.000 -5.323) 5.323 6.744 ( 0.000 0.000 -4.079) 4.079 6.831 ( 0.000 0.000 -5.515) 5.515 6.885 ( 0.000 0.000 2.531) 2.531 6.952 ( 0.000 0.000 -0.726) 0.726 7.401 ( 0.000 0.000 -0.764) 0.764 7.499 ( 0.000 0.000 -2.973) 2.973 7.741 ( 0.000 0.000 3.192) 3.192 7.972 ( 0.000 0.000 -6.090) 6.090 8.186 ( 0.000 0.000 4.433) 4.433 8.320 ( 0.000 0.000 -1.235) 1.235 8.478 ( 0.000 0.000 8.214) 8.214 8.592 ( 0.000 0.000 2.925) 2.925 8.677 ( 0.000 0.000 9.726) 9.726 8.685 ( 0.000 0.000 0.795) 0.795 8.899 ( 0.000 0.000 -4.423) 4.423 8.927 ( 0.000 0.000 1.276) 1.276 9.079 ( 0.000 0.000 -9.334) 9.334 9.119 ( 0.000 0.000 -3.539) 3.539 11.433 ( 0.000 0.000 4.405) 4.405 11.573 ( 0.000 0.000 -2.391) 2.391 11.630 ( 0.000 0.000 10.555) 10.555 11.991 ( 0.000 0.000 -6.325) 6.325 ======================= Grid point 106 (38/60) ======================= q-point: ( 0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 1.906 0.000 15.396) 15.514 1.618 ( 0.708 0.000 9.343) 9.370 1.884 ( -3.995 0.000 -7.297) 8.319 1.917 ( -0.129 0.000 9.962) 9.962 1.920 ( 0.985 0.000 -9.048) 9.102 2.091 ( 4.528 0.000 -4.932) 6.695 2.129 ( -2.366 0.000 4.407) 5.002 2.229 ( -2.524 0.000 -10.815) 11.105 2.770 ( 1.904 0.000 10.327) 10.501 2.893 ( -7.489 0.000 9.099) 11.785 2.985 ( 10.169 0.000 5.675) 11.646 3.115 ( -5.613 0.000 -2.165) 6.016 3.253 ( -17.365 0.000 15.467) 23.254 3.467 ( -5.607 0.000 0.094) 5.608 3.662 ( -9.604 0.000 6.389) 11.535 3.821 ( 0.244 0.000 -5.530) 5.535 3.909 ( -10.867 0.000 5.146) 12.024 4.075 ( 1.494 0.000 5.694) 5.887 4.159 ( -17.645 0.000 15.790) 23.679 4.251 ( -6.365 0.000 1.386) 6.514 4.370 ( -0.281 0.000 -6.069) 6.075 4.456 ( 3.732 0.000 4.164) 5.592 4.516 ( -9.339 0.000 -7.001) 11.672 4.564 ( -5.058 0.000 1.768) 5.358 4.878 ( -7.063 0.000 -3.253) 7.776 4.977 ( 0.713 0.000 -4.700) 4.754 5.094 ( -9.669 0.000 -2.957) 10.111 5.257 ( -8.562 0.000 -0.610) 8.584 5.454 ( 5.425 0.000 4.744) 7.207 5.480 ( 7.451 0.000 5.702) 9.382 5.543 ( 3.467 0.000 4.153) 5.409 5.711 ( 3.564 0.000 -8.824) 9.516 6.178 ( 6.603 0.000 4.637) 8.068 6.188 ( 13.431 0.000 4.610) 14.200 6.322 ( -1.528 0.000 -0.782) 1.716 6.372 ( 3.590 0.000 -1.083) 3.750 6.609 ( 2.359 0.000 0.931) 2.537 6.753 ( 2.142 0.000 -5.169) 5.596 6.792 ( 1.464 0.000 -1.810) 2.328 6.845 ( -2.521 0.000 3.697) 4.475 6.961 ( 0.855 0.000 -2.537) 2.677 7.005 ( 15.057 0.000 -9.082) 17.584 7.317 ( -2.662 0.000 7.206) 7.682 7.579 ( 4.148 0.000 -4.679) 6.254 7.730 ( -0.433 0.000 2.836) 2.869 8.029 ( 2.118 0.000 -9.564) 9.796 8.136 ( -5.316 0.000 4.429) 6.919 8.218 ( -5.488 0.000 0.418) 5.504 8.427 ( -3.648 0.000 6.052) 7.067 8.608 ( 0.442 0.000 0.747) 0.868 8.667 ( -1.177 0.000 6.278) 6.387 8.678 ( -0.739 0.000 0.540) 0.915 8.841 ( -5.105 0.000 -7.865) 9.377 8.959 ( 3.560 0.000 5.994) 6.971 9.016 ( -5.919 0.000 -10.072) 11.682 9.160 ( 2.928 0.000 -3.243) 4.369 11.499 ( 3.557 0.000 -0.836) 3.654 11.522 ( -4.059 0.000 -1.957) 4.506 11.635 ( 0.480 0.000 8.933) 8.946 11.950 ( -3.818 0.000 -6.191) 7.273 ======================= Grid point 107 (39/60) ======================= q-point: ( 0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -2.110 0.000 7.662) 7.947 1.669 ( 2.773 0.000 2.119) 3.490 1.768 ( -10.597 0.000 -13.018) 16.786 1.865 ( -3.935 0.000 8.784) 9.625 1.987 ( 4.377 0.000 -13.640) 14.325 2.058 ( -3.390 0.000 -4.805) 5.881 2.083 ( -0.093 0.000 3.921) 3.922 2.149 ( -6.571 0.000 -7.815) 10.210 2.600 ( -15.253 0.000 2.440) 15.447 2.841 ( -14.823 0.000 -8.056) 16.870 2.859 ( 4.856 0.000 8.499) 9.788 3.172 ( 0.550 0.000 9.685) 9.701 3.220 ( 0.258 0.000 -0.214) 0.336 3.384 ( 4.929 0.000 -11.963) 12.939 3.413 ( -10.336 0.000 18.601) 21.280 3.565 ( -13.024 0.000 -8.412) 15.505 3.645 ( -13.358 0.000 -14.431) 19.664 3.932 ( -7.894 0.000 5.651) 9.708 4.139 ( -0.501 0.000 1.454) 1.538 4.164 ( 3.611 0.000 -2.409) 4.341 4.286 ( -15.914 0.000 -6.702) 17.268 4.380 ( 0.067 0.000 -0.107) 0.127 4.424 ( -0.344 0.000 -3.480) 3.497 4.571 ( 2.926 0.000 5.963) 6.642 4.783 ( -4.411 0.000 -4.414) 6.240 4.923 ( -2.871 0.000 -9.924) 10.331 4.984 ( -2.596 0.000 3.872) 4.662 5.152 ( -2.424 0.000 -0.704) 2.524 5.475 ( -1.194 0.000 3.416) 3.619 5.605 ( 9.047 0.000 4.207) 9.977 5.623 ( -1.178 0.000 -3.744) 3.925 5.773 ( 4.230 0.000 -2.795) 5.070 6.272 ( -4.847 0.000 5.935) 7.663 6.336 ( 2.925 0.000 4.057) 5.001 6.362 ( -6.453 0.000 3.791) 7.485 6.400 ( 10.075 0.000 5.514) 11.485 6.697 ( 5.215 0.000 1.416) 5.404 6.801 ( 4.427 0.000 -3.195) 5.460 6.850 ( 1.412 0.000 2.015) 2.460 6.867 ( 8.168 0.000 8.778) 11.990 6.984 ( 1.032 0.000 -4.785) 4.895 7.272 ( 8.891 0.000 -4.874) 10.139 7.390 ( 9.565 0.000 13.591) 16.620 7.644 ( 1.893 0.000 -2.054) 2.793 7.738 ( 1.621 0.000 -0.315) 1.651 7.925 ( -7.859 0.000 1.964) 8.101 8.022 ( -5.698 0.000 -2.903) 6.395 8.207 ( 0.767 0.000 -6.952) 6.994 8.367 ( -1.579 0.000 1.533) 2.200 8.577 ( -4.016 0.000 -6.111) 7.313 8.641 ( -0.919 0.000 2.675) 2.829 8.663 ( -0.311 0.000 1.158) 1.199 8.742 ( -3.699 0.000 -4.281) 5.658 8.867 ( -7.800 0.000 -9.215) 12.073 9.054 ( 5.272 0.000 5.379) 7.532 9.209 ( 1.524 0.000 -2.097) 2.592 11.405 ( -5.352 0.000 -3.353) 6.315 11.526 ( -2.528 0.000 -7.570) 7.981 11.650 ( 1.019 0.000 4.647) 4.757 11.851 ( -5.420 0.000 -5.702) 7.867 ======================= Grid point 108 (40/60) ======================= q-point: ( 0.43 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 0.520 0.000 -3.597) 3.635 1.454 ( -14.312 0.000 -9.809) 17.351 1.717 ( 4.709 0.000 -7.110) 8.528 1.889 ( 5.826 0.000 -9.006) 10.726 1.909 ( -12.005 0.000 -14.163) 18.566 2.057 ( -6.745 0.000 -7.748) 10.273 2.069 ( 4.129 0.000 -10.925) 11.680 2.113 ( 1.873 0.000 -13.621) 13.749 2.418 ( -0.754 0.000 0.935) 1.201 2.545 ( -11.328 0.000 -8.382) 14.092 2.910 ( 1.601 0.000 4.291) 4.580 3.054 ( -12.787 0.000 -1.341) 12.857 3.215 ( 1.896 0.000 -4.019) 4.444 3.245 ( 6.425 0.000 1.612) 6.624 3.319 ( -7.002 0.000 -5.782) 9.081 3.411 ( -9.578 0.000 -8.039) 12.504 3.784 ( 7.851 0.000 -1.902) 8.078 3.888 ( 3.404 0.000 -10.668) 11.198 4.046 ( 2.937 0.000 -0.064) 2.937 4.157 ( 1.899 0.000 1.795) 2.613 4.195 ( -1.035 0.000 -0.551) 1.173 4.402 ( 2.055 0.000 -0.146) 2.060 4.414 ( -18.223 0.000 -12.165) 21.910 4.430 ( -0.277 0.000 -2.715) 2.729 4.770 ( 4.884 0.000 5.819) 7.597 4.885 ( -5.398 0.000 6.668) 8.579 4.996 ( 5.471 0.000 -4.288) 6.951 5.098 ( -3.847 0.000 -2.606) 4.647 5.481 ( 2.015 0.000 -0.226) 2.028 5.551 ( -4.373 0.000 -3.910) 5.866 5.819 ( 11.504 0.000 4.454) 12.336 5.908 ( 8.008 0.000 0.867) 8.054 6.090 ( -10.167 0.000 7.007) 12.348 6.160 ( -11.513 0.000 4.100) 12.222 6.411 ( 4.045 0.000 2.853) 4.950 6.475 ( -1.354 0.000 0.462) 1.430 6.794 ( 3.796 0.000 3.366) 5.073 6.847 ( -1.427 0.000 2.917) 3.247 6.914 ( 5.233 0.000 -3.378) 6.228 6.985 ( -1.444 0.000 -5.196) 5.393 7.126 ( 13.868 0.000 13.118) 19.090 7.323 ( -4.084 0.000 4.593) 6.146 7.570 ( 5.156 0.000 9.021) 10.390 7.639 ( -2.406 0.000 5.058) 5.601 7.782 ( 2.299 0.000 -2.801) 3.624 7.846 ( -2.304 0.000 -1.852) 2.956 7.974 ( 5.759 0.000 -0.800) 5.814 8.150 ( -6.957 0.000 -4.381) 8.221 8.377 ( 2.661 0.000 -3.696) 4.554 8.467 ( -5.673 0.000 -7.544) 9.439 8.647 ( 1.900 0.000 -0.906) 2.105 8.668 ( 0.742 0.000 0.320) 0.808 8.692 ( -1.622 0.000 -1.156) 1.992 8.726 ( -5.692 0.000 -5.484) 7.904 9.154 ( 4.178 0.000 2.670) 4.958 9.212 ( -1.358 0.000 -0.145) 1.366 11.349 ( 0.678 0.000 -7.742) 7.772 11.426 ( -5.837 0.000 -10.173) 11.729 11.681 ( 2.277 0.000 -0.464) 2.323 11.748 ( -4.317 0.000 -4.132) 5.976 ======================= Grid point 112 (41/60) ======================= q-point: ( 0.00 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 0.000 -4.371 -2.369) 4.971 1.439 ( 0.000 -15.478 -17.907) 23.669 1.812 ( 0.000 9.423 14.016) 16.889 2.013 ( 0.000 3.346 9.752) 10.310 2.044 ( 0.000 -2.990 3.667) 4.732 2.221 ( 0.000 -3.254 -7.131) 7.838 2.294 ( 0.000 15.322 -0.807) 15.344 2.414 ( 0.000 21.582 -4.499) 22.046 2.564 ( 0.000 -10.774 10.055) 14.737 2.821 ( 0.000 3.714 14.003) 14.487 3.021 ( 0.000 -12.255 10.550) 16.171 3.063 ( 0.000 0.095 8.805) 8.806 3.652 ( 0.000 6.130 3.505) 7.061 3.752 ( 0.000 12.492 5.543) 13.666 3.811 ( 0.000 14.810 2.861) 15.084 3.856 ( 0.000 9.396 0.565) 9.413 3.926 ( 0.000 -0.524 13.787) 13.797 4.249 ( 0.000 9.540 14.883) 17.678 4.258 ( 0.000 -0.694 5.533) 5.576 4.377 ( 0.000 -2.027 10.115) 10.316 4.437 ( 0.000 3.903 -5.701) 6.909 4.492 ( 0.000 -2.594 3.881) 4.668 4.622 ( 0.000 6.578 -2.134) 6.915 4.658 ( 0.000 0.054 -1.097) 1.098 5.007 ( 0.000 6.974 2.399) 7.375 5.085 ( 0.000 -0.389 -3.276) 3.300 5.126 ( 0.000 -0.018 1.420) 1.420 5.249 ( 0.000 -11.261 3.627) 11.831 5.305 ( 0.000 -0.653 10.900) 10.920 5.381 ( 0.000 1.296 -0.017) 1.297 5.638 ( 0.000 0.626 -5.285) 5.322 5.640 ( 0.000 1.507 -10.384) 10.493 5.942 ( 0.000 2.201 1.848) 2.874 6.214 ( 0.000 6.069 1.174) 6.181 6.267 ( 0.000 -6.635 -3.169) 7.353 6.400 ( 0.000 2.078 -8.097) 8.359 6.479 ( 0.000 -11.446 1.101) 11.499 6.624 ( 0.000 -9.014 -5.948) 10.800 6.701 ( 0.000 -6.145 -2.573) 6.661 6.721 ( 0.000 -2.000 -5.562) 5.911 6.984 ( 0.000 2.540 -0.355) 2.564 6.999 ( 0.000 5.162 -2.155) 5.594 7.379 ( 0.000 -1.674 -0.166) 1.683 7.472 ( 0.000 -2.465 -2.673) 3.636 7.730 ( 0.000 -0.497 3.966) 3.997 7.962 ( 0.000 -0.938 -6.220) 6.290 8.085 ( 0.000 -8.176 6.051) 10.171 8.216 ( 0.000 -7.834 0.393) 7.844 8.504 ( 0.000 2.167 8.327) 8.604 8.630 ( 0.000 0.717 4.797) 4.850 8.692 ( 0.000 3.684 7.164) 8.056 8.746 ( 0.000 4.161 -0.186) 4.165 8.905 ( 0.000 0.595 -2.230) 2.308 8.955 ( 0.000 2.303 -1.720) 2.874 9.064 ( 0.000 -1.310 -8.320) 8.422 9.107 ( 0.000 -1.385 -3.944) 4.180 11.452 ( 0.000 1.865 3.433) 3.907 11.586 ( 0.000 1.036 0.521) 1.159 11.626 ( 0.000 -0.028 5.679) 5.679 11.940 ( 0.000 -4.692 -5.833) 7.486 ======================= Grid point 113 (42/60) ======================= q-point: ( 0.14 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 5.530 -2.850 -3.305) 7.045 1.491 ( 4.785 -12.285 -16.949) 21.473 1.796 ( -1.201 8.693 9.180) 12.700 1.915 ( -5.767 1.136 8.226) 10.110 2.053 ( -1.712 -2.404 2.048) 3.593 2.166 ( -3.769 5.245 -5.658) 8.586 2.324 ( -0.591 8.067 2.429) 8.445 2.388 ( -4.461 9.321 1.795) 10.488 2.587 ( 2.286 -8.809 3.091) 9.611 2.855 ( -1.679 3.827 7.941) 8.974 2.904 ( -4.385 -8.494 12.103) 15.423 3.098 ( 0.391 -4.850 4.602) 6.697 3.455 ( -15.067 14.779 9.090) 22.980 3.633 ( -2.828 12.449 2.632) 13.035 3.779 ( -5.268 14.714 1.017) 15.662 3.913 ( -15.445 -1.227 11.823) 19.489 3.945 ( 0.762 7.164 -3.791) 8.141 3.982 ( -4.976 4.259 6.379) 9.143 4.204 ( -5.016 -1.696 5.285) 7.481 4.365 ( -1.695 0.688 2.496) 3.095 4.418 ( -3.047 7.282 6.956) 10.521 4.482 ( -2.055 8.080 -5.184) 9.818 4.563 ( -6.313 0.623 -0.167) 6.346 4.606 ( -0.958 4.277 -3.914) 5.876 4.919 ( -8.542 3.951 -2.883) 9.843 4.993 ( -3.488 0.233 -9.156) 9.800 5.122 ( -4.631 1.141 3.129) 5.704 5.217 ( -5.103 -0.289 0.962) 5.201 5.282 ( 3.720 -8.549 4.026) 10.155 5.479 ( 2.226 -3.233 0.387) 3.944 5.589 ( 6.781 4.483 2.018) 8.376 5.743 ( 5.913 1.186 -5.454) 8.131 6.139 ( 8.630 -0.961 4.174) 9.634 6.261 ( 6.230 3.925 4.695) 8.733 6.323 ( 4.836 -5.904 1.648) 7.808 6.353 ( -2.453 1.864 -1.713) 3.525 6.510 ( 3.564 -9.727 -0.107) 10.360 6.664 ( 2.781 -7.831 -5.533) 9.984 6.692 ( -0.515 -6.160 -0.476) 6.199 6.823 ( 4.881 -4.475 -3.918) 7.694 6.961 ( -0.865 3.208 -0.036) 3.323 7.077 ( 8.087 2.285 -2.191) 8.685 7.335 ( 0.396 2.214 3.809) 4.423 7.554 ( 4.300 -2.387 -4.146) 6.433 7.703 ( -1.799 -1.716 3.346) 4.169 7.964 ( -3.288 -6.352 -5.377) 8.948 8.070 ( -0.957 -4.233 1.270) 4.522 8.136 ( -4.255 -6.359 0.560) 7.672 8.465 ( -2.982 3.049 6.073) 7.421 8.628 ( -0.646 -0.645 4.004) 4.107 8.696 ( -0.296 4.881 3.014) 5.744 8.737 ( -0.778 4.354 -0.254) 4.430 8.864 ( -4.228 2.037 -6.966) 8.399 8.959 ( 2.305 0.026 4.755) 5.284 9.007 ( -5.785 -0.723 -9.551) 11.190 9.137 ( 2.457 -2.243 -3.002) 4.481 11.501 ( 2.952 0.427 -0.334) 3.001 11.544 ( -4.410 2.245 -2.201) 5.416 11.623 ( 0.250 -1.183 6.938) 7.043 11.898 ( -3.870 -4.781 -5.728) 8.405 ======================= Grid point 114 (43/60) ======================= q-point: ( 0.29 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 4.471 3.033 -3.655) 6.523 1.607 ( 4.941 -3.412 -14.771) 15.945 1.772 ( 0.416 2.764 -0.691) 2.880 1.820 ( -4.204 0.628 5.194) 6.712 1.981 ( -4.666 -1.281 1.807) 5.165 2.069 ( -5.700 2.813 -7.100) 9.529 2.198 ( -12.608 3.887 -1.416) 13.269 2.252 ( -4.001 3.389 2.777) 5.933 2.585 ( -1.348 -12.436 0.880) 12.540 2.680 ( -11.005 7.503 -1.143) 13.369 2.848 ( -7.226 -9.559 3.154) 12.391 3.100 ( 0.389 -8.966 -4.901) 10.226 3.329 ( 0.347 12.376 3.728) 12.930 3.443 ( -19.585 2.865 -0.633) 19.804 3.521 ( -9.123 12.186 -5.299) 16.119 3.727 ( 4.207 17.197 2.738) 17.915 3.789 ( -18.986 4.494 -3.786) 19.875 3.968 ( -1.511 8.796 -2.296) 9.215 4.125 ( -1.207 1.941 1.060) 2.519 4.300 ( -1.988 4.755 -0.829) 5.220 4.360 ( -1.097 -0.820 0.511) 1.462 4.445 ( -1.998 14.196 1.446) 14.409 4.452 ( -0.497 3.804 -2.925) 4.824 4.666 ( 3.208 5.866 -1.660) 6.889 4.804 ( -1.493 3.331 -1.825) 4.081 4.926 ( -2.972 0.351 -10.122) 10.555 5.041 ( -3.343 6.268 4.351) 8.330 5.144 ( -2.588 0.414 0.600) 2.689 5.369 ( 3.743 -7.725 2.690) 8.995 5.499 ( 1.676 -6.382 -3.352) 7.401 5.718 ( 4.271 5.727 3.051) 7.768 5.829 ( 3.098 3.830 -1.747) 5.227 6.222 ( -2.440 -4.164 5.719) 7.483 6.319 ( -3.817 -2.550 1.301) 4.771 6.358 ( 1.332 0.957 4.961) 5.225 6.412 ( 5.887 -1.357 5.611) 8.245 6.607 ( 4.394 -8.519 1.446) 9.694 6.673 ( 1.851 -6.997 -1.773) 7.452 6.742 ( 2.750 -9.373 1.911) 9.953 6.883 ( 1.922 -5.871 -1.981) 6.488 7.016 ( 7.207 5.596 4.919) 10.366 7.286 ( 10.911 -0.850 4.798) 11.950 7.424 ( 6.397 3.535 4.182) 8.421 7.606 ( 0.502 -3.753 -1.476) 4.064 7.688 ( 0.784 -3.366 -0.712) 3.528 7.844 ( -5.445 -6.167 -0.085) 8.227 7.959 ( -6.623 -4.085 -1.031) 7.850 8.154 ( 0.960 -4.585 -6.945) 8.377 8.414 ( -1.424 3.744 1.656) 4.334 8.602 ( -1.953 -0.391 -1.177) 2.314 8.646 ( -4.204 2.962 -2.618) 5.771 8.726 ( -0.085 4.736 0.345) 4.749 8.791 ( -2.480 4.268 -2.986) 5.769 8.862 ( -7.359 -0.008 -8.630) 11.342 9.036 ( 4.628 -1.689 4.777) 6.862 9.179 ( 1.262 -2.944 -2.010) 3.782 11.431 ( -5.310 2.596 -3.666) 6.955 11.515 ( -2.272 -0.604 -6.134) 6.569 11.631 ( 0.367 -1.838 3.014) 3.549 11.799 ( -5.332 -4.787 -5.469) 9.014 ======================= Grid point 115 (44/60) ======================= q-point: ( 0.43 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 1.138 9.593 -4.737) 10.759 1.573 ( -7.635 10.379 -7.192) 14.756 1.748 ( -0.991 2.103 -1.676) 2.866 1.795 ( -3.257 -1.841 -6.854) 7.808 1.955 ( 6.667 0.782 -7.765) 10.264 2.034 ( 3.936 -4.709 -11.107) 12.690 2.104 ( -0.057 2.725 -14.682) 14.933 2.158 ( -7.389 1.073 -14.487) 16.298 2.386 ( -6.075 -1.863 -4.272) 7.657 2.528 ( -8.973 0.626 -6.958) 11.372 2.816 ( 5.568 -9.298 4.450) 11.716 3.003 ( -10.983 -6.041 -0.257) 12.537 3.183 ( -5.030 0.259 -7.003) 8.626 3.254 ( -8.571 -1.462 -5.531) 10.305 3.379 ( 1.188 3.578 -12.563) 13.117 3.490 ( -8.072 5.537 -5.868) 11.413 3.902 ( 6.767 10.003 -0.871) 12.108 3.950 ( 0.050 13.477 -1.367) 13.546 4.126 ( 4.521 8.409 3.318) 10.108 4.278 ( -6.873 4.899 -1.469) 8.567 4.363 ( 5.913 7.631 -1.346) 9.747 4.446 ( -0.585 1.930 0.517) 2.082 4.477 ( 3.162 15.148 -0.877) 15.499 4.606 ( -8.219 12.404 -6.340) 16.175 4.834 ( 4.553 6.457 1.773) 8.097 4.935 ( -2.955 1.248 0.856) 3.320 4.984 ( 3.236 4.665 -0.631) 5.713 5.084 ( -4.084 0.306 -1.328) 4.306 5.435 ( 3.119 -4.499 -0.164) 5.477 5.497 ( -2.292 -5.049 -3.054) 6.331 5.849 ( 9.140 2.875 4.372) 10.531 5.923 ( 6.438 1.485 1.111) 6.699 6.077 ( -9.190 -1.206 6.271) 11.191 6.138 ( -10.999 -1.695 3.683) 11.722 6.414 ( 3.601 0.247 2.459) 4.368 6.472 ( -1.048 -0.468 0.216) 1.168 6.682 ( 3.801 -9.888 3.947) 11.305 6.743 ( -1.394 -9.048 4.077) 10.022 6.776 ( 5.477 -11.875 -0.499) 13.087 6.874 ( -3.012 -9.772 -2.844) 10.614 7.239 ( 11.624 6.652 8.832) 16.043 7.389 ( -1.923 3.739 3.826) 5.684 7.543 ( 3.224 -2.493 6.176) 7.400 7.589 ( -2.023 -4.931 1.831) 5.636 7.711 ( 2.842 -4.235 -1.011) 5.199 7.802 ( -3.960 -1.998 -0.335) 4.448 7.912 ( 7.409 -4.820 -0.296) 8.844 8.096 ( -6.978 -4.648 -4.073) 9.321 8.423 ( 2.456 3.733 -3.220) 5.508 8.509 ( -5.537 3.434 -7.047) 9.598 8.624 ( 1.709 -1.568 -0.383) 2.350 8.695 ( -4.387 -0.832 -3.553) 5.706 8.751 ( -0.042 5.950 -1.042) 6.040 8.769 ( -1.617 5.750 -2.263) 6.387 9.126 ( 3.796 -2.683 2.303) 5.188 9.179 ( -1.288 -3.134 -0.260) 3.398 11.371 ( 0.126 2.195 -7.348) 7.670 11.430 ( -4.822 0.682 -9.080) 10.304 11.647 ( 1.484 -3.210 -1.459) 3.825 11.701 ( -3.911 -4.366 -4.493) 7.386 ======================= Grid point 119 (45/60) ======================= q-point: ( 0.00 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 0.000 -2.281 -24.355) 24.461 1.203 ( 0.000 -5.972 -27.422) 28.065 1.952 ( 0.000 -3.152 0.757) 3.242 1.974 ( 0.000 -3.355 1.482) 3.668 2.083 ( 0.000 11.506 7.179) 13.562 2.195 ( 0.000 0.517 4.264) 4.295 2.449 ( 0.000 -0.107 22.976) 22.976 2.509 ( 0.000 2.652 9.119) 9.497 2.683 ( 0.000 2.730 -2.998) 4.054 2.708 ( 0.000 -9.794 11.913) 15.422 2.996 ( 0.000 3.971 4.119) 5.722 3.005 ( 0.000 -1.163 6.461) 6.565 3.751 ( 0.000 7.810 14.445) 16.421 3.942 ( 0.000 -6.437 7.117) 9.596 4.042 ( 0.000 10.242 3.389) 10.788 4.066 ( 0.000 10.780 12.909) 16.818 4.075 ( 0.000 9.258 4.440) 10.268 4.235 ( 0.000 -6.539 3.789) 7.557 4.352 ( 0.000 0.121 3.990) 3.992 4.398 ( 0.000 -5.951 4.418) 7.412 4.495 ( 0.000 11.274 11.413) 16.042 4.538 ( 0.000 3.775 1.523) 4.071 4.682 ( 0.000 1.976 -2.746) 3.383 4.704 ( 0.000 0.838 -0.920) 1.244 5.049 ( 0.000 5.914 0.906) 5.983 5.098 ( 0.000 -1.643 1.708) 2.370 5.199 ( 0.000 6.190 1.452) 6.358 5.203 ( 0.000 1.039 5.321) 5.422 5.311 ( 0.000 3.075 2.028) 3.683 5.467 ( 0.000 -0.084 1.428) 1.431 5.598 ( 0.000 6.192 -5.395) 8.213 5.728 ( 0.000 7.342 -8.828) 11.482 6.033 ( 0.000 -14.782 -0.907) 14.809 6.041 ( 0.000 -0.239 -3.704) 3.712 6.091 ( 0.000 -13.228 2.132) 13.399 6.314 ( 0.000 -14.466 -6.680) 15.934 6.363 ( 0.000 4.673 0.172) 4.676 6.436 ( 0.000 -2.293 -2.312) 3.256 6.647 ( 0.000 0.190 -7.177) 7.180 6.675 ( 0.000 -2.030 -7.691) 7.954 7.037 ( 0.000 2.133 -0.790) 2.274 7.059 ( 0.000 0.462 -2.351) 2.396 7.364 ( 0.000 0.826 0.017) 0.826 7.409 ( 0.000 -3.039 -1.608) 3.438 7.752 ( 0.000 3.238 4.928) 5.897 7.871 ( 0.000 -7.572 2.708) 8.042 7.991 ( 0.000 0.961 0.348) 1.023 8.063 ( 0.000 -5.730 0.438) 5.747 8.556 ( 0.000 2.544 8.162) 8.550 8.605 ( 0.000 -2.015 7.689) 7.949 8.797 ( 0.000 3.521 2.914) 4.570 8.811 ( 0.000 1.578 0.848) 1.792 8.939 ( 0.000 3.289 -1.857) 3.777 9.008 ( 0.000 2.558 -4.613) 5.275 9.022 ( 0.000 -3.171 -4.605) 5.591 9.061 ( 0.000 -2.595 -5.250) 5.856 11.508 ( 0.000 3.171 3.086) 4.425 11.571 ( 0.000 -2.418 5.532) 6.037 11.680 ( 0.000 5.057 -3.640) 6.230 11.812 ( 0.000 -6.879 -4.737) 8.352 ======================= Grid point 120 (46/60) ======================= q-point: ( 0.14 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 7.584 -1.031 -22.126) 23.412 1.303 ( 9.079 -5.283 -25.453) 27.535 1.926 ( -3.094 -0.482 1.910) 3.668 1.950 ( -2.379 -1.054 1.679) 3.097 2.093 ( 0.152 11.944 6.511) 13.604 2.206 ( -0.019 -0.585 3.942) 3.985 2.297 ( -9.876 -1.944 11.781) 15.495 2.462 ( -9.991 -11.088 4.592) 15.616 2.525 ( -5.373 7.244 10.213) 13.626 2.700 ( -3.489 -8.783 7.690) 12.184 2.980 ( -2.136 4.936 4.605) 7.081 3.048 ( -1.354 -1.051 2.238) 2.819 3.695 ( -8.492 8.299 9.389) 15.137 3.827 ( -12.277 -0.874 1.953) 12.463 3.923 ( -4.054 5.504 3.269) 7.577 3.991 ( -4.156 1.521 3.769) 5.813 4.156 ( -5.526 10.738 4.305) 12.821 4.177 ( 6.988 9.747 6.416) 13.602 4.281 ( -5.658 7.105 8.731) 12.599 4.376 ( -2.894 0.680 -2.038) 3.604 4.418 ( -8.657 -4.563 8.280) 12.819 4.513 ( -4.072 -4.367 0.813) 6.026 4.697 ( 0.983 3.527 -3.043) 4.761 4.704 ( 3.467 3.737 -3.245) 6.043 4.975 ( -4.660 2.094 -2.472) 5.676 5.022 ( -5.441 1.639 -2.686) 6.285 5.097 ( 1.571 1.441 3.462) 4.066 5.193 ( -8.834 -1.729 -2.201) 9.266 5.386 ( 0.937 15.259 1.485) 15.360 5.539 ( 5.229 10.424 -0.938) 11.700 5.693 ( 7.167 6.996 -0.928) 10.059 5.743 ( 8.363 0.263 -4.459) 9.481 6.015 ( 0.133 -19.358 2.009) 19.463 6.081 ( 2.609 -18.328 -1.742) 18.594 6.247 ( 9.077 -0.648 5.433) 10.598 6.355 ( -0.774 2.376 0.321) 2.519 6.373 ( 1.108 -4.059 -1.183) 4.370 6.430 ( 2.791 -7.410 3.163) 8.526 6.661 ( 0.742 1.452 -7.110) 7.295 6.724 ( 3.039 -4.240 -6.460) 8.303 7.029 ( 0.309 2.796 2.760) 3.941 7.076 ( 3.097 -1.634 3.028) 4.629 7.404 ( 4.352 3.628 -1.786) 5.941 7.482 ( 4.232 -3.931 -3.109) 6.559 7.709 ( -3.222 2.893 3.589) 5.624 7.813 ( -4.902 -6.599 1.353) 8.331 8.004 ( -0.399 -1.690 -2.195) 2.799 8.020 ( -1.968 -3.519 -0.857) 4.122 8.533 ( -1.926 3.156 5.995) 7.043 8.592 ( -1.284 -2.342 5.699) 6.294 8.805 ( -0.119 3.363 -0.090) 3.366 8.814 ( -0.226 2.156 -0.345) 2.195 8.925 ( -1.873 3.644 -3.762) 5.562 8.960 ( -1.706 -0.054 -0.405) 1.754 8.997 ( -3.918 0.397 -6.252) 7.388 9.064 ( 1.242 -4.487 -2.489) 5.279 11.528 ( 1.137 2.158 0.933) 2.612 11.580 ( 0.557 -2.297 3.919) 4.577 11.628 ( -4.646 5.322 -3.635) 7.945 11.767 ( -4.110 -7.105 -4.634) 9.426 ======================= Grid point 121 (47/60) ======================= q-point: ( 0.29 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 10.613 1.818 -16.838) 19.987 1.534 ( 12.415 -4.483 -20.089) 24.038 1.820 ( -6.049 1.355 1.301) 6.334 1.869 ( -4.317 -0.314 0.026) 4.328 2.069 ( -4.425 7.036 4.179) 9.303 2.079 ( -9.397 4.271 5.651) 11.767 2.169 ( -6.072 -6.968 0.369) 9.250 2.265 ( -6.139 -2.904 -2.019) 7.085 2.444 ( -2.207 1.955 6.722) 7.340 2.615 ( -4.331 -10.956 5.562) 13.028 2.831 ( -10.562 5.840 -1.996) 12.233 2.944 ( -6.433 -5.718 -4.569) 9.745 3.461 ( -13.454 3.648 -9.943) 17.123 3.512 ( -13.838 0.130 -9.969) 17.055 3.762 ( -22.067 7.577 -2.151) 23.431 3.835 ( -16.356 0.516 -3.026) 16.641 4.040 ( 3.587 9.933 7.289) 12.832 4.202 ( 0.945 0.537 2.506) 2.732 4.276 ( 1.879 8.276 0.055) 8.486 4.322 ( 0.156 6.542 -1.517) 6.717 4.407 ( 6.308 3.276 5.815) 9.184 4.460 ( 2.825 -1.205 3.737) 4.837 4.692 ( -0.643 3.722 -3.744) 5.319 4.789 ( 1.356 -0.654 -4.989) 5.212 4.891 ( -0.695 8.730 -0.203) 8.760 4.967 ( 0.367 3.525 -1.933) 4.037 5.128 ( 1.691 -3.177 1.350) 3.844 5.179 ( 2.954 -8.420 -0.658) 8.947 5.403 ( 2.042 25.878 2.384) 26.067 5.563 ( 0.159 19.013 -4.479) 19.534 5.843 ( 5.004 5.711 2.762) 8.080 5.888 ( 3.818 0.323 0.649) 3.886 6.041 ( 1.244 -18.913 4.423) 19.463 6.140 ( 2.937 -20.120 -0.562) 20.342 6.304 ( -4.138 -5.240 -0.063) 6.677 6.317 ( -0.858 -7.550 -1.002) 7.664 6.409 ( 3.051 2.045 8.110) 8.903 6.513 ( 2.753 -8.766 8.291) 12.376 6.643 ( -2.952 2.378 -3.611) 5.235 6.736 ( -2.169 -6.290 -3.554) 7.543 7.129 ( 9.682 4.852 7.886) 13.397 7.225 ( 10.890 -4.203 9.130) 14.819 7.486 ( 2.501 1.527 -1.388) 3.242 7.520 ( -0.387 -2.851 -1.331) 3.170 7.665 ( -0.761 1.337 0.697) 1.689 7.726 ( -2.007 -4.372 -0.450) 4.831 7.935 ( -3.507 2.483 -2.605) 5.025 8.036 ( 0.062 -6.042 -5.921) 8.460 8.497 ( -1.071 3.755 2.023) 4.398 8.564 ( -0.912 -2.581 2.127) 3.467 8.726 ( -6.469 3.483 -6.937) 10.104 8.778 ( -4.918 -0.997 -5.693) 7.589 8.886 ( -0.577 4.834 -0.093) 4.869 8.936 ( -0.412 6.249 -2.153) 6.622 8.984 ( 2.306 -2.787 2.667) 4.494 9.085 ( 0.532 -5.910 -1.804) 6.202 11.517 ( -4.818 4.722 -4.365) 8.035 11.523 ( -2.318 2.301 -3.869) 5.063 11.578 ( -0.868 -2.625 0.119) 2.767 11.666 ( -5.109 -7.212 -4.723) 10.021 ======================= Grid point 122 (48/60) ======================= q-point: ( 0.43 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 6.017 7.602 -9.277) 13.419 1.732 ( 1.374 3.116 -10.119) 10.676 1.775 ( 1.481 -0.504 -6.000) 6.201 1.850 ( -1.113 -2.315 -8.316) 8.704 1.895 ( 1.486 -0.681 -3.667) 4.015 1.966 ( -0.748 1.791 -3.448) 3.957 2.055 ( -5.180 -3.658 -1.530) 6.524 2.152 ( -9.764 -4.152 -4.114) 11.379 2.421 ( 3.275 7.196 -6.625) 10.315 2.608 ( 5.127 -6.566 0.540) 8.348 2.625 ( -9.983 4.177 -13.782) 17.523 2.808 ( -9.335 -10.014 -9.333) 16.569 3.238 ( -5.420 3.705 -11.789) 13.494 3.282 ( -7.085 2.899 -10.987) 13.391 3.378 ( -9.188 -1.048 -8.544) 12.590 3.474 ( -13.462 -5.573 -8.403) 16.820 4.163 ( 6.217 10.231 3.981) 12.616 4.256 ( -1.384 8.695 0.905) 8.850 4.306 ( 2.258 -0.337 -0.334) 2.307 4.337 ( 1.073 4.534 -2.403) 5.242 4.522 ( 4.326 7.860 4.589) 10.077 4.558 ( 2.655 9.730 3.515) 10.681 4.693 ( 1.821 -0.492 0.857) 2.072 4.757 ( -3.063 -3.279 -1.335) 4.681 4.939 ( 3.570 9.917 -2.173) 10.761 4.986 ( -0.207 7.685 -2.888) 8.212 5.173 ( 2.648 -4.504 0.041) 5.225 5.211 ( -0.357 -5.889 -1.635) 6.122 5.474 ( 4.269 26.709 1.485) 27.088 5.546 ( -2.255 23.503 -2.008) 23.696 5.926 ( 3.792 1.887 3.818) 5.702 5.952 ( 4.026 0.828 1.880) 4.519 6.015 ( -2.911 -7.489 5.301) 9.626 6.109 ( -7.466 -1.431 2.284) 7.938 6.261 ( 1.855 -24.776 1.958) 24.922 6.300 ( -1.089 -20.923 -0.009) 20.952 6.468 ( 3.173 0.275 4.103) 5.194 6.537 ( -1.890 -1.847 3.396) 4.303 6.577 ( 0.229 -4.679 1.451) 4.904 6.656 ( -4.993 -8.139 -0.666) 9.572 7.343 ( 9.015 3.529 6.072) 11.428 7.407 ( 4.785 -2.015 4.832) 7.093 7.486 ( -2.800 -2.256 0.867) 3.699 7.492 ( -1.911 -1.923 0.034) 2.711 7.703 ( 5.758 3.139 1.748) 6.787 7.795 ( 7.900 -4.204 0.182) 8.950 7.847 ( -5.445 4.091 0.195) 6.814 7.974 ( -6.561 -6.534 -2.675) 9.638 8.507 ( 2.306 3.839 -2.205) 4.992 8.570 ( 0.855 -0.923 -2.841) 3.107 8.598 ( -4.446 1.898 -4.259) 6.443 8.657 ( -5.542 -2.477 -5.001) 7.865 8.902 ( 1.251 7.445 -0.051) 7.550 8.924 ( -0.866 8.074 -1.096) 8.194 9.041 ( 2.668 -5.448 1.262) 6.196 9.080 ( -1.089 -6.273 -0.588) 6.394 11.448 ( -1.099 5.131 -6.462) 8.324 11.469 ( -2.593 3.149 -6.700) 7.844 11.558 ( -0.490 -4.699 -3.771) 6.045 11.580 ( -2.870 -6.515 -5.301) 8.876 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 0.000 0.000 -15.505) 15.505 1.648 ( 0.000 0.000 15.505) 15.505 1.830 ( 0.000 0.000 -9.405) 9.405 1.830 ( 0.000 0.000 9.405) 9.405 1.981 ( 0.000 0.000 -9.360) 9.360 1.981 ( 0.000 0.000 9.360) 9.360 2.144 ( 0.000 0.000 -5.831) 5.831 2.144 ( 0.000 0.000 5.831) 5.831 2.911 ( 0.000 0.000 -5.215) 5.215 2.911 ( 0.000 0.000 5.215) 5.215 3.101 ( 0.000 0.000 -4.488) 4.488 3.101 ( 0.000 0.000 4.488) 4.488 3.669 ( 0.000 0.000 -8.527) 8.527 3.669 ( 0.000 0.000 8.527) 8.527 3.706 ( 0.000 0.000 -1.800) 1.800 3.706 ( 0.000 0.000 1.800) 1.800 4.300 ( 0.000 0.000 -3.556) 3.556 4.300 ( 0.000 0.000 3.556) 3.556 4.362 ( 0.000 0.000 -16.885) 16.885 4.362 ( 0.000 0.000 16.885) 16.885 4.447 ( 0.000 0.000 -12.498) 12.498 4.447 ( 0.000 0.000 12.498) 12.498 4.549 ( 0.000 0.000 -2.544) 2.544 4.549 ( 0.000 0.000 2.544) 2.544 4.922 ( 0.000 0.000 -5.628) 5.628 4.922 ( 0.000 0.000 5.628) 5.628 5.380 ( 0.000 0.000 -4.741) 4.741 5.380 ( 0.000 0.000 4.741) 4.741 5.439 ( 0.000 0.000 -6.570) 6.570 5.439 ( 0.000 0.000 6.570) 6.570 5.489 ( 0.000 0.000 -6.818) 6.818 5.489 ( 0.000 0.000 6.818) 6.818 6.132 ( 0.000 0.000 -13.650) 13.650 6.132 ( 0.000 0.000 13.650) 13.650 6.195 ( 0.000 0.000 -7.018) 7.018 6.195 ( 0.000 0.000 7.018) 7.018 6.630 ( 0.000 0.000 -2.481) 2.481 6.630 ( 0.000 0.000 2.481) 2.481 6.737 ( 0.000 0.000 -3.075) 3.075 6.737 ( 0.000 0.000 3.075) 3.075 6.933 ( 0.000 0.000 -1.742) 1.742 6.933 ( 0.000 0.000 1.742) 1.742 7.439 ( 0.000 0.000 -3.224) 3.224 7.439 ( 0.000 0.000 3.224) 3.224 7.836 ( 0.000 0.000 -6.567) 6.567 7.836 ( 0.000 0.000 6.567) 6.567 8.272 ( 0.000 0.000 -3.672) 3.672 8.272 ( 0.000 0.000 3.672) 3.672 8.604 ( 0.000 0.000 -2.686) 2.686 8.604 ( 0.000 0.000 2.686) 2.686 8.744 ( 0.000 0.000 -6.678) 6.678 8.744 ( 0.000 0.000 6.678) 6.678 8.880 ( 0.000 0.000 -10.792) 10.792 8.880 ( 0.000 0.000 10.792) 10.792 9.029 ( 0.000 0.000 -5.500) 5.500 9.029 ( 0.000 0.000 5.500) 5.500 11.513 ( 0.000 0.000 -3.724) 3.724 11.513 ( 0.000 0.000 3.724) 3.724 11.833 ( 0.000 0.000 -9.771) 9.771 11.833 ( 0.000 0.000 9.771) 9.771 ======================= Grid point 142 (50/60) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -2.159 0.000 -14.390) 14.551 1.632 ( -2.159 0.000 14.390) 14.551 1.771 ( -2.009 0.000 -7.847) 8.101 1.771 ( -2.009 0.000 7.847) 8.101 2.067 ( 3.364 0.000 -4.147) 5.339 2.067 ( 3.364 0.000 4.147) 5.339 2.117 ( -2.112 0.000 -5.918) 6.284 2.117 ( -2.112 0.000 5.918) 6.284 2.942 ( 3.800 0.000 -7.848) 8.720 2.942 ( 3.800 0.000 7.848) 8.720 3.035 ( -8.684 0.000 -5.609) 10.338 3.035 ( -8.684 0.000 5.609) 10.338 3.585 ( -12.152 0.000 -16.756) 20.699 3.585 ( -12.152 0.000 16.756) 20.699 3.587 ( -7.352 0.000 -8.803) 11.469 3.587 ( -7.352 0.000 8.803) 11.469 4.193 ( -17.392 0.000 -15.696) 23.427 4.193 ( -17.392 0.000 15.696) 23.427 4.202 ( -7.117 0.000 -6.153) 9.408 4.202 ( -7.117 0.000 6.153) 9.408 4.376 ( -0.999 0.000 -5.704) 5.791 4.376 ( -0.999 0.000 5.704) 5.791 4.562 ( -0.666 0.000 -10.359) 10.381 4.562 ( -0.666 0.000 10.359) 10.381 4.820 ( -7.551 0.000 -6.720) 10.108 4.820 ( -7.551 0.000 6.720) 10.108 5.173 ( -6.810 0.000 -6.004) 9.078 5.173 ( -6.810 0.000 6.004) 9.078 5.557 ( 2.480 0.000 -2.198) 3.314 5.557 ( 2.480 0.000 2.198) 3.314 5.569 ( 5.130 0.000 -6.444) 8.237 5.569 ( 5.130 0.000 6.444) 8.237 6.289 ( 7.462 0.000 -4.112) 8.520 6.289 ( 7.462 0.000 4.112) 8.520 6.298 ( 10.569 0.000 -5.855) 12.082 6.298 ( 10.569 0.000 5.855) 12.082 6.656 ( 2.224 0.000 -3.768) 4.376 6.656 ( 2.224 0.000 3.768) 4.376 6.832 ( 9.583 0.000 -6.683) 11.683 6.832 ( 9.583 0.000 6.683) 11.683 6.915 ( -1.155 0.000 -2.857) 3.082 6.915 ( -1.155 0.000 2.857) 3.082 7.465 ( 3.134 0.000 -7.103) 7.764 7.465 ( 3.134 0.000 7.103) 7.764 7.843 ( 0.353 0.000 -8.493) 8.500 7.843 ( 0.353 0.000 8.493) 8.500 8.200 ( -6.393 0.000 -2.142) 6.742 8.200 ( -6.393 0.000 2.142) 6.742 8.554 ( -4.590 0.000 -5.949) 7.514 8.554 ( -4.590 0.000 5.949) 7.515 8.719 ( -1.691 0.000 -3.969) 4.314 8.719 ( -1.691 0.000 3.969) 4.314 8.823 ( -4.802 0.000 -9.406) 10.560 8.823 ( -4.802 0.000 9.406) 10.560 9.074 ( 3.591 0.000 -5.476) 6.548 9.074 ( 3.591 0.000 5.476) 6.548 11.497 ( -2.173 0.000 -0.629) 2.262 11.497 ( -2.173 0.000 0.629) 2.262 11.807 ( -2.403 0.000 -8.418) 8.755 11.807 ( -2.403 0.000 8.418) 8.755 ======================= Grid point 144 (51/60) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -8.275 0.000 -11.138) 13.876 1.530 ( -8.275 0.000 11.138) 13.876 1.760 ( -1.144 0.000 -8.673) 8.749 1.760 ( -1.144 0.000 8.673) 8.749 2.043 ( -4.439 0.000 -2.853) 5.277 2.043 ( -4.439 0.000 2.853) 5.277 2.054 ( -5.771 0.000 -7.406) 9.389 2.054 ( -5.771 0.000 7.406) 9.390 2.682 ( -20.977 0.000 -6.827) 22.060 2.682 ( -20.977 0.000 6.827) 22.060 3.071 ( 6.999 0.000 -12.672) 14.476 3.071 ( 6.999 0.000 12.672) 14.476 3.372 ( -14.722 0.000 -8.524) 17.012 3.372 ( -14.722 0.000 8.524) 17.012 3.372 ( -6.054 0.000 -11.883) 13.336 3.372 ( -6.054 0.000 11.883) 13.336 3.792 ( -13.845 0.000 -16.919) 21.862 3.792 ( -13.845 0.000 16.919) 21.862 4.157 ( 1.160 0.000 -0.203) 1.177 4.157 ( 1.160 0.000 0.203) 1.177 4.383 ( 0.959 0.000 -0.913) 1.324 4.383 ( 0.959 0.000 0.913) 1.324 4.422 ( -11.687 0.000 -15.934) 19.761 4.422 ( -11.687 0.000 15.934) 19.761 4.791 ( 3.653 0.000 -4.653) 5.916 4.791 ( 3.653 0.000 4.653) 5.916 5.095 ( -3.041 0.000 -4.993) 5.846 5.095 ( -3.041 0.000 4.993) 5.846 5.545 ( -2.613 0.000 -3.885) 4.682 5.545 ( -2.613 0.000 3.885) 4.682 5.696 ( 8.033 0.000 -4.930) 9.425 5.696 ( 8.033 0.000 4.930) 9.425 6.366 ( -4.927 0.000 -3.094) 5.818 6.366 ( -4.927 0.000 3.094) 5.818 6.412 ( 3.937 0.000 -2.940) 4.913 6.412 ( 3.937 0.000 2.940) 4.913 6.740 ( 6.119 0.000 -2.794) 6.727 6.740 ( 6.119 0.000 2.794) 6.727 6.906 ( 0.071 0.000 -3.482) 3.483 6.906 ( 0.071 0.000 3.482) 3.483 7.095 ( 13.987 0.000 -12.258) 18.598 7.095 ( 13.987 0.000 12.258) 18.598 7.575 ( 6.601 0.000 -5.415) 8.538 7.575 ( 6.601 0.000 5.415) 8.538 7.839 ( -0.824 0.000 -8.717) 8.756 7.839 ( -0.824 0.000 8.717) 8.756 8.063 ( -5.482 0.000 -6.076) 8.184 8.063 ( -5.482 0.000 6.076) 8.184 8.445 ( -5.326 0.000 -6.165) 8.147 8.445 ( -5.326 0.000 6.165) 8.147 8.691 ( -1.016 0.000 -1.750) 2.023 8.691 ( -1.016 0.000 1.750) 2.023 8.723 ( -4.291 0.000 -5.693) 7.129 8.723 ( -4.291 0.000 5.693) 7.129 9.148 ( 3.254 0.000 -4.144) 5.269 9.148 ( 3.254 0.000 4.144) 5.269 11.409 ( -6.115 0.000 -3.696) 7.146 11.409 ( -6.115 0.000 3.696) 7.146 11.745 ( -3.295 0.000 -5.193) 6.151 11.745 ( -3.295 0.000 5.193) 6.151 ======================= Grid point 146 (52/60) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -10.336 0.000 -4.588) 11.308 1.309 ( -10.336 0.000 4.588) 11.308 1.655 ( -6.581 0.000 -5.432) 8.534 1.655 ( -6.581 0.000 5.432) 8.534 1.866 ( -7.770 0.000 -7.205) 10.596 1.866 ( -7.770 0.000 7.205) 10.596 1.988 ( -0.610 0.000 -1.024) 1.192 1.988 ( -0.610 0.000 1.024) 1.192 2.448 ( -2.959 0.000 -2.487) 3.865 2.448 ( -2.959 0.000 2.487) 3.865 3.038 ( -8.200 0.000 -3.992) 9.120 3.038 ( -8.200 0.000 3.992) 9.120 3.189 ( -0.183 0.000 -3.908) 3.913 3.189 ( -0.183 0.000 3.908) 3.913 3.303 ( -1.523 0.000 -3.946) 4.229 3.303 ( -1.523 0.000 3.946) 4.229 3.771 ( 7.434 0.000 -1.634) 7.611 3.771 ( 7.434 0.000 1.634) 7.611 4.163 ( -11.783 0.000 -11.286) 16.316 4.163 ( -11.783 0.000 11.286) 16.316 4.185 ( 0.872 0.000 -0.814) 1.193 4.185 ( 0.872 0.000 0.814) 1.193 4.402 ( 0.695 0.000 -0.417) 0.811 4.402 ( 0.695 0.000 0.417) 0.811 4.895 ( 5.833 0.000 -6.073) 8.421 4.895 ( 5.833 0.000 6.073) 8.421 5.012 ( -5.147 0.000 -5.965) 7.879 5.012 ( -5.147 0.000 5.965) 7.879 5.494 ( -1.639 0.000 -1.791) 2.428 5.494 ( -1.639 0.000 1.791) 2.428 5.891 ( 10.001 0.000 -2.553) 10.322 5.891 ( 10.001 0.000 2.553) 10.322 6.185 ( -10.201 0.000 -2.053) 10.406 6.185 ( -10.201 0.000 2.053) 10.406 6.460 ( 1.059 0.000 -1.888) 2.165 6.460 ( 1.059 0.000 1.888) 2.165 6.852 ( 4.000 0.000 -2.793) 4.878 6.852 ( 4.000 0.000 2.793) 4.878 6.900 ( -0.910 0.000 -3.169) 3.297 6.900 ( -0.910 0.000 3.169) 3.297 7.313 ( 5.956 0.000 -5.482) 8.095 7.313 ( 5.956 0.000 5.482) 8.095 7.654 ( 0.555 0.000 -2.378) 2.442 7.654 ( 0.555 0.000 2.378) 2.442 7.833 ( 0.600 0.000 -3.515) 3.566 7.833 ( 0.600 0.000 3.515) 3.566 8.013 ( -0.085 0.000 -7.177) 7.177 8.013 ( -0.085 0.000 7.177) 7.177 8.364 ( -2.133 0.000 -2.511) 3.295 8.364 ( -2.133 0.000 2.511) 3.295 8.662 ( -1.513 0.000 -1.813) 2.361 8.662 ( -1.513 0.000 1.813) 2.361 8.677 ( -0.335 0.000 -0.560) 0.653 8.677 ( -0.335 0.000 0.560) 0.653 9.196 ( 1.239 0.000 -1.539) 1.975 9.196 ( 1.239 0.000 1.539) 1.975 11.293 ( -3.862 0.000 -2.424) 4.560 11.293 ( -3.862 0.000 2.424) 4.560 11.691 ( -1.583 0.000 -1.657) 2.292 11.691 ( -1.583 0.000 1.657) 2.292 ======================= Grid point 154 (53/60) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 0.000 -20.815 -2.915) 21.018 1.229 ( 0.000 -20.815 2.915) 21.018 2.028 ( 0.000 4.728 -7.455) 8.827 2.028 ( 0.000 4.728 7.455) 8.827 2.107 ( 0.000 -2.092 -2.401) 3.185 2.107 ( 0.000 -2.092 2.401) 3.185 2.326 ( 0.000 20.848 -3.493) 21.139 2.326 ( 0.000 20.848 3.493) 21.139 2.810 ( 0.000 -0.627 -11.228) 11.246 2.810 ( 0.000 -0.627 11.228) 11.246 3.138 ( 0.000 -5.311 -1.139) 5.432 3.138 ( 0.000 -5.311 1.139) 5.432 3.781 ( 0.000 9.639 -6.933) 11.873 3.781 ( 0.000 9.639 6.933) 11.873 3.831 ( 0.000 14.076 -1.605) 14.167 3.831 ( 0.000 14.076 1.605) 14.167 4.221 ( 0.000 -2.104 -11.628) 11.817 4.221 ( 0.000 -2.104 11.628) 11.817 4.401 ( 0.000 1.323 -4.092) 4.301 4.401 ( 0.000 1.323 4.092) 4.301 4.469 ( 0.000 0.562 -2.746) 2.803 4.469 ( 0.000 0.562 2.746) 2.803 4.654 ( 0.000 6.982 -6.064) 9.248 4.654 ( 0.000 6.982 6.064) 9.248 4.976 ( 0.000 5.994 -2.887) 6.653 4.976 ( 0.000 5.994 2.887) 6.653 5.241 ( 0.000 -9.232 -4.065) 10.088 5.241 ( 0.000 -9.232 4.065) 10.088 5.456 ( 0.000 2.684 -7.894) 8.338 5.456 ( 0.000 2.684 7.894) 8.338 5.499 ( 0.000 -1.631 -8.996) 9.143 5.499 ( 0.000 -1.631 8.996) 9.143 6.090 ( 0.000 -2.127 -11.351) 11.549 6.090 ( 0.000 -2.127 11.351) 11.549 6.293 ( 0.000 6.041 -5.680) 8.292 6.293 ( 0.000 6.041 5.680) 8.292 6.508 ( 0.000 -11.554 -3.042) 11.947 6.508 ( 0.000 -11.554 3.042) 11.947 6.675 ( 0.000 -5.065 -0.342) 5.077 6.675 ( 0.000 -5.065 0.342) 5.077 6.982 ( 0.000 3.393 -0.067) 3.394 6.982 ( 0.000 3.393 0.067) 3.394 7.417 ( 0.000 -1.868 -2.951) 3.493 7.417 ( 0.000 -1.868 2.951) 3.493 7.831 ( 0.000 -0.169 -6.400) 6.403 7.831 ( 0.000 -0.169 6.400) 6.403 8.184 ( 0.000 -7.224 -3.620) 8.080 8.184 ( 0.000 -7.224 3.620) 8.080 8.644 ( 0.000 2.890 -3.775) 4.754 8.644 ( 0.000 2.890 3.775) 4.754 8.777 ( 0.000 2.901 -5.030) 5.806 8.777 ( 0.000 2.901 5.030) 5.806 8.874 ( 0.000 -0.245 -10.326) 10.329 8.874 ( 0.000 -0.245 10.326) 10.329 9.025 ( 0.000 -0.549 -4.675) 4.707 9.025 ( 0.000 -0.549 4.675) 4.707 11.529 ( 0.000 1.648 -3.963) 4.292 11.529 ( 0.000 1.648 3.963) 4.292 11.795 ( 0.000 -3.450 -8.778) 9.432 11.795 ( 0.000 -3.450 8.778) 9.432 ======================= Grid point 156 (54/60) ======================= q-point: ( 0.14 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 5.318 -17.596 -3.155) 18.651 1.286 ( 5.318 -17.596 3.155) 18.651 1.944 ( -6.174 4.173 -4.984) 8.965 1.944 ( -6.174 4.173 4.984) 8.965 2.084 ( -2.340 4.313 -1.887) 5.257 2.084 ( -2.340 4.313 1.887) 5.257 2.366 ( 0.641 10.616 -2.976) 11.044 2.366 ( 0.641 10.616 2.976) 11.044 2.784 ( -2.219 -2.080 -11.868) 12.252 2.784 ( -2.219 -2.080 11.868) 12.252 3.090 ( -6.165 -4.885 -5.642) 9.680 3.090 ( -6.165 -4.885 5.642) 9.680 3.641 ( -14.442 11.549 -9.152) 20.633 3.641 ( -14.442 11.549 9.152) 20.633 3.783 ( -2.945 11.033 -10.396) 15.443 3.783 ( -2.945 11.033 10.396) 15.443 4.153 ( -14.776 2.485 -5.055) 15.814 4.153 ( -14.776 2.485 5.055) 15.814 4.238 ( -0.501 0.400 -10.104) 10.124 4.238 ( -0.501 0.400 10.104) 10.124 4.466 ( -8.354 7.709 -7.099) 13.402 4.466 ( -8.354 7.709 7.099) 13.402 4.607 ( -0.240 1.822 -4.739) 5.083 4.607 ( -0.240 1.822 4.739) 5.083 4.842 ( -6.980 3.281 -3.896) 8.641 4.842 ( -6.980 3.281 3.896) 8.641 5.192 ( -4.507 0.495 -3.298) 5.606 5.192 ( -4.507 0.495 3.298) 5.606 5.386 ( 0.590 -6.779 -5.826) 8.958 5.386 ( 0.590 -6.779 5.826) 8.958 5.668 ( 8.093 2.529 -3.637) 9.226 5.668 ( 8.093 2.529 3.637) 9.226 6.245 ( 7.755 -2.569 -5.473) 9.834 6.245 ( 7.755 -2.569 5.473) 9.834 6.359 ( 6.359 3.104 -1.933) 7.335 6.359 ( 6.359 3.104 1.933) 7.335 6.543 ( 2.919 -9.774 -4.033) 10.969 6.543 ( 2.919 -9.774 4.033) 10.969 6.736 ( 5.424 -6.688 -4.195) 9.578 6.736 ( 5.424 -6.688 4.195) 9.578 7.007 ( 3.934 5.319 -3.904) 7.682 7.007 ( 3.934 5.319 3.904) 7.682 7.449 ( 3.360 -1.543 -6.503) 7.480 7.449 ( 3.360 -1.543 6.503) 7.480 7.813 ( -1.780 -2.143 -7.712) 8.200 7.813 ( -1.780 -2.143 7.712) 8.200 8.119 ( -5.615 -6.479 -2.177) 8.846 8.119 ( -5.615 -6.479 2.177) 8.846 8.595 ( -4.447 3.013 -6.208) 8.209 8.595 ( -4.447 3.013 6.208) 8.209 8.759 ( -1.491 2.874 -2.493) 4.086 8.759 ( -1.491 2.874 2.493) 4.086 8.824 ( -4.234 0.847 -8.403) 9.447 8.824 ( -4.234 0.847 8.403) 9.447 9.059 ( 2.912 -1.474 -4.886) 5.876 9.059 ( 2.912 -1.474 4.886) 5.876 11.509 ( -2.380 1.366 -1.175) 2.986 11.509 ( -2.380 1.366 1.175) 2.986 11.769 ( -2.490 -3.524 -7.422) 8.585 11.769 ( -2.490 -3.524 7.422) 8.585 ======================= Grid point 158 (55/60) ======================= q-point: ( 0.29 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 6.083 -8.408 -3.615) 10.990 1.416 ( 6.083 -8.408 3.615) 10.990 1.815 ( -6.139 4.168 -3.979) 8.420 1.815 ( -6.139 4.168 3.979) 8.420 2.017 ( -3.787 5.696 -0.588) 6.865 2.017 ( -3.787 5.696 0.588) 6.865 2.240 ( -15.241 1.752 -5.330) 16.241 2.240 ( -15.241 1.752 5.330) 16.241 2.644 ( -13.045 -0.422 -4.319) 13.748 2.644 ( -13.045 -0.422 4.319) 13.748 2.932 ( -2.984 -8.442 -8.018) 12.019 2.932 ( -2.984 -8.442 8.018) 12.019 3.356 ( -13.467 1.128 -4.812) 14.345 3.356 ( -13.467 1.128 4.812) 14.345 3.633 ( -14.529 13.510 -10.203) 22.309 3.633 ( -14.529 13.510 10.203) 22.309 3.882 ( -4.111 11.256 -8.265) 14.557 3.882 ( -4.111 11.256 8.265) 14.557 4.209 ( -1.293 2.276 -7.075) 7.543 4.209 ( -1.293 2.276 7.075) 7.543 4.379 ( 0.293 5.478 -3.494) 6.504 4.379 ( 0.293 5.478 3.494) 6.504 4.571 ( -3.224 8.062 -7.526) 11.490 4.571 ( -3.224 8.062 7.526) 11.490 4.807 ( 2.479 2.819 -2.826) 4.699 4.807 ( 2.479 2.819 2.826) 4.699 5.117 ( -3.345 2.899 -3.099) 5.404 5.117 ( -3.345 2.899 3.099) 5.404 5.431 ( 2.174 -7.880 -3.511) 8.896 5.431 ( 2.174 -7.880 3.511) 8.896 5.779 ( 4.668 5.429 -3.184) 7.836 5.779 ( 4.668 5.429 3.184) 7.836 6.308 ( -2.586 -4.257 -2.679) 5.655 6.308 ( -2.586 -4.257 2.679) 5.655 6.435 ( 1.187 0.076 -2.473) 2.744 6.435 ( 1.187 0.076 2.473) 2.744 6.633 ( 5.834 -8.636 -1.569) 10.540 6.633 ( 5.834 -8.636 1.569) 10.540 6.816 ( 1.460 -7.397 -4.294) 8.676 6.816 ( 1.460 -7.397 4.294) 8.676 7.190 ( 12.002 6.104 -10.085) 16.823 7.190 ( 12.002 6.104 10.085) 16.823 7.550 ( 5.282 -2.573 -4.926) 7.667 7.550 ( 5.282 -2.573 4.926) 7.667 7.763 ( -2.231 -5.443 -7.033) 9.168 7.763 ( -2.231 -5.443 7.033) 9.168 8.009 ( -3.940 -4.207 -6.038) 8.348 8.009 ( -3.940 -4.207 6.038) 8.348 8.490 ( -5.052 3.633 -5.895) 8.572 8.490 ( -5.052 3.633 5.895) 8.572 8.703 ( -3.877 -1.055 -4.266) 5.860 8.703 ( -3.877 -1.055 4.266) 5.860 8.762 ( -1.237 5.470 -0.438) 5.625 8.762 ( -1.237 5.470 0.438) 5.625 9.122 ( 2.815 -2.549 -3.809) 5.378 9.122 ( 2.815 -2.549 3.809) 5.378 11.422 ( -5.812 1.384 -2.669) 6.543 11.422 ( -5.812 1.384 2.669) 6.543 11.703 ( -3.585 -3.834 -4.358) 6.823 11.703 ( -3.585 -3.834 4.358) 6.823 ======================= Grid point 160 (56/60) ======================= q-point: ( 0.43 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -2.054 8.356 -4.625) 9.769 1.459 ( -2.054 8.356 4.626) 9.769 1.695 ( -6.508 4.664 -1.625) 8.170 1.695 ( -6.508 4.664 1.625) 8.170 1.911 ( -7.313 2.299 -5.878) 9.660 1.911 ( -7.313 2.299 5.878) 9.660 1.964 ( -0.860 -0.302 -1.759) 1.981 1.964 ( -0.860 -0.302 1.759) 1.981 2.399 ( -9.028 -3.181 -4.803) 10.709 2.399 ( -9.028 -3.181 4.803) 10.709 2.944 ( -0.832 -10.118 -6.177) 11.884 2.944 ( -0.832 -10.118 6.177) 11.884 3.139 ( -0.679 -2.692 -3.926) 4.809 3.139 ( -0.679 -2.692 3.926) 4.809 3.361 ( -10.921 3.435 -6.611) 13.220 3.361 ( -10.921 3.435 6.611) 13.220 3.919 ( 3.100 14.532 -1.760) 14.963 3.919 ( 3.100 14.532 1.760) 14.963 4.209 ( 0.860 5.359 -4.696) 7.177 4.209 ( 0.860 5.359 4.696) 7.177 4.382 ( -0.745 12.189 -3.387) 12.673 4.382 ( -0.745 12.189 3.387) 12.673 4.521 ( -1.091 11.910 -2.824) 12.288 4.521 ( -1.091 11.910 2.824) 12.288 4.893 ( 5.135 -0.053 -3.458) 6.191 4.893 ( 5.135 -0.053 3.458) 6.191 5.032 ( -4.846 4.008 -3.533) 7.214 5.032 ( -4.846 4.008 3.533) 7.214 5.449 ( -0.044 -4.423 -1.669) 4.727 5.449 ( -0.044 -4.423 1.669) 4.727 5.914 ( 8.246 2.250 -2.057) 8.791 5.914 ( 8.246 2.250 2.057) 8.791 6.161 ( -9.349 -2.024 -1.778) 9.730 6.161 ( -9.349 -2.024 1.778) 9.730 6.456 ( 0.683 -0.472 -1.675) 1.869 6.456 ( 0.683 -0.472 1.675) 1.869 6.744 ( 4.483 -10.014 -2.434) 11.238 6.744 ( 4.483 -10.014 2.434) 11.238 6.810 ( -1.780 -8.401 -3.221) 9.171 6.810 ( -1.780 -8.401 3.221) 9.171 7.382 ( 5.414 4.529 -4.726) 8.494 7.382 ( 5.414 4.529 4.726) 8.494 7.576 ( -1.685 -6.407 -1.717) 6.844 7.576 ( -1.685 -6.407 1.717) 6.844 7.787 ( 2.915 -2.812 -4.284) 5.895 7.787 ( 2.915 -2.812 4.284) 5.895 7.970 ( -0.343 -3.377 -7.095) 7.866 7.970 ( -0.343 -3.377 7.095) 7.866 8.414 ( -2.048 4.076 -2.380) 5.145 8.414 ( -2.048 4.076 2.380) 5.145 8.642 ( -1.603 -1.770 -1.782) 2.980 8.642 ( -1.603 -1.770 1.782) 2.980 8.749 ( -0.259 6.256 -0.440) 6.277 8.749 ( -0.259 6.256 0.440) 6.277 9.163 ( 1.088 -3.124 -1.419) 3.599 9.163 ( 1.088 -3.124 1.419) 3.599 11.313 ( -3.512 2.136 -1.921) 4.538 11.313 ( -3.512 2.136 1.921) 4.538 11.643 ( -1.811 -4.412 -1.323) 4.949 11.643 ( -1.810 -4.412 1.323) 4.949 ======================= Grid point 168 (57/60) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 0.000 -9.389 -0.252) 9.392 0.892 ( 0.000 -9.389 0.252) 9.392 1.967 ( 0.000 -4.712 -0.886) 4.794 1.967 ( 0.000 -4.712 0.886) 4.794 2.188 ( 0.000 5.695 -3.456) 6.662 2.188 ( 0.000 5.695 3.456) 6.662 2.597 ( 0.000 4.579 -2.995) 5.472 2.597 ( 0.000 4.579 2.995) 5.472 2.873 ( 0.000 3.426 -15.125) 15.508 2.873 ( 0.000 3.426 15.125) 15.508 2.975 ( 0.000 -6.250 -9.396) 11.285 2.975 ( 0.000 -6.250 9.396) 11.285 3.978 ( 0.000 5.918 -6.965) 9.140 3.978 ( 0.000 5.918 6.965) 9.140 4.066 ( 0.000 6.149 -0.103) 6.150 4.066 ( 0.000 6.149 0.103) 6.150 4.254 ( 0.000 1.808 -3.946) 4.340 4.254 ( 0.000 1.808 3.946) 4.340 4.381 ( 0.000 -3.849 -2.422) 4.548 4.381 ( 0.000 -3.849 2.422) 4.548 4.595 ( 0.000 10.698 -1.014) 10.746 4.595 ( 0.000 10.698 1.014) 10.746 4.724 ( 0.000 0.027 -0.487) 0.488 4.724 ( 0.000 0.027 0.487) 0.488 5.051 ( 0.000 -1.967 -3.117) 3.685 5.051 ( 0.000 -1.967 3.117) 3.685 5.236 ( 0.000 10.955 -1.511) 11.058 5.236 ( 0.000 10.955 1.511) 11.058 5.417 ( 0.000 -5.881 -7.066) 9.194 5.417 ( 0.000 -5.881 7.066) 9.194 5.585 ( 0.000 11.617 -5.227) 12.739 5.585 ( 0.000 11.617 5.227) 12.739 6.011 ( 0.000 -10.350 -0.744) 10.376 6.011 ( 0.000 -10.350 0.744) 10.376 6.166 ( 0.000 -13.683 -6.282) 15.056 6.166 ( 0.000 -13.683 6.282) 15.056 6.393 ( 0.000 2.760 -2.395) 3.654 6.393 ( 0.000 2.760 2.395) 3.654 6.589 ( 0.000 -2.343 -1.076) 2.578 6.589 ( 0.000 -2.343 1.076) 2.578 7.036 ( 0.000 1.376 -0.459) 1.450 7.036 ( 0.000 1.376 0.459) 1.450 7.380 ( 0.000 -1.173 -1.370) 1.804 7.380 ( 0.000 -1.173 1.370) 1.804 7.843 ( 0.000 1.195 -4.081) 4.252 7.843 ( 0.000 1.195 4.081) 4.252 8.036 ( 0.000 -5.163 -2.848) 5.896 8.036 ( 0.000 -5.163 2.848) 5.896 8.691 ( 0.000 1.284 -2.636) 2.932 8.691 ( 0.000 1.284 2.636) 2.932 8.822 ( 0.000 0.512 -0.613) 0.798 8.822 ( 0.000 0.512 0.613) 0.798 8.898 ( 0.000 2.369 -3.873) 4.540 8.898 ( 0.000 2.369 3.873) 4.540 9.003 ( 0.000 -1.330 -1.991) 2.395 9.003 ( 0.000 -1.330 1.991) 2.395 11.591 ( 0.000 4.275 -4.764) 6.401 11.591 ( 0.000 4.275 4.764) 6.401 11.699 ( 0.000 -5.325 -6.568) 8.456 11.699 ( 0.000 -5.325 6.568) 8.456 ======================= Grid point 170 (58/60) ======================= q-point: ( 0.14 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 11.020 -7.110 -1.026) 13.154 1.013 ( 11.020 -7.110 1.026) 13.154 1.946 ( -2.496 -2.534 -0.908) 3.671 1.946 ( -2.496 -2.534 0.909) 3.671 2.190 ( -0.391 6.042 -3.685) 7.088 2.190 ( -0.391 6.042 3.685) 7.088 2.435 ( -11.813 -1.829 -4.017) 12.611 2.435 ( -11.813 -1.829 4.017) 12.611 2.848 ( -4.408 4.315 -15.379) 16.570 2.848 ( -4.408 4.315 15.379) 16.570 2.952 ( -4.294 -5.591 -10.825) 12.918 2.952 ( -4.294 -5.591 10.825) 12.918 3.824 ( -21.545 3.371 -3.207) 22.041 3.824 ( -21.545 3.371 3.207) 22.041 3.970 ( -1.137 4.383 -3.763) 5.888 3.970 ( -1.137 4.383 3.763) 5.888 4.243 ( -2.068 7.363 -3.643) 8.472 4.243 ( -2.068 7.363 3.643) 8.472 4.350 ( -1.453 3.306 -5.696) 6.745 4.350 ( -1.453 3.306 5.696) 6.745 4.575 ( -13.201 -0.634 -3.951) 13.794 4.575 ( -13.201 -0.634 3.951) 13.794 4.627 ( 1.533 3.406 -3.423) 5.066 4.627 ( 1.533 3.406 3.423) 5.066 4.950 ( -4.169 2.780 -1.397) 5.202 4.950 ( -4.169 2.780 1.397) 5.202 5.152 ( -2.791 -0.273 -2.107) 3.508 5.152 ( -2.791 -0.273 2.107) 3.508 5.452 ( -0.080 13.186 -5.255) 14.195 5.452 ( -0.080 13.186 5.255) 14.195 5.705 ( 11.960 2.788 -1.218) 12.341 5.705 ( 11.960 2.788 1.218) 12.341 6.049 ( 2.459 -20.581 -1.647) 20.792 6.049 ( 2.459 -20.581 1.647) 20.792 6.312 ( 3.279 -3.584 -2.203) 5.334 6.312 ( 3.279 -3.584 2.203) 5.334 6.451 ( 8.458 2.307 -4.507) 9.858 6.451 ( 8.458 2.307 4.507) 9.858 6.607 ( 1.935 -4.345 -4.281) 6.399 6.607 ( 1.935 -4.345 4.281) 6.399 7.090 ( 6.152 2.175 -2.233) 6.897 7.090 ( 6.152 2.175 2.233) 6.897 7.411 ( 2.906 -1.435 -3.065) 4.461 7.411 ( 2.906 -1.435 3.065) 4.461 7.787 ( -4.895 -0.100 -3.702) 6.138 7.787 ( -4.895 -0.100 3.702) 6.138 7.993 ( -3.561 -4.052 -1.284) 5.545 7.993 ( -3.561 -4.052 1.284) 5.545 8.649 ( -3.672 1.652 -3.648) 5.433 8.649 ( -3.672 1.652 3.648) 5.433 8.776 ( -4.386 -0.403 -2.405) 5.018 8.776 ( -4.386 -0.403 2.405) 5.018 8.900 ( 0.140 4.759 -1.192) 4.908 8.900 ( 0.140 4.759 1.192) 4.908 9.010 ( 1.019 -3.015 -2.905) 4.309 9.010 ( 1.019 -3.015 2.905) 4.309 11.565 ( -2.854 4.003 -2.752) 5.634 11.565 ( -2.854 4.003 2.752) 5.634 11.671 ( -2.541 -5.294 -5.071) 7.759 11.671 ( -2.541 -5.294 5.071) 7.759 ======================= Grid point 172 (59/60) ======================= q-point: ( 0.29 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 15.326 -2.595 -2.397) 15.728 1.294 ( 15.326 -2.595 2.397) 15.728 1.840 ( -7.676 -1.311 -1.520) 7.934 1.840 ( -7.676 -1.311 1.520) 7.934 2.148 ( -5.322 1.638 -3.468) 6.560 2.148 ( -5.322 1.638 3.468) 6.560 2.200 ( -10.852 1.309 -5.260) 12.131 2.200 ( -10.852 1.309 5.260) 12.131 2.676 ( -11.807 2.209 -13.693) 18.215 2.676 ( -11.807 2.209 13.693) 18.215 2.775 ( -10.137 -5.984 -10.546) 15.805 2.775 ( -10.137 -5.984 10.546) 15.805 3.375 ( -18.661 0.765 -2.066) 18.791 3.375 ( -18.661 0.765 2.066) 18.791 3.774 ( -22.132 1.386 -2.834) 22.356 3.774 ( -22.132 1.386 2.834) 22.356 4.172 ( 0.576 10.001 -5.201) 11.288 4.172 ( 0.576 10.001 5.201) 11.288 4.280 ( -0.445 2.351 -1.724) 2.950 4.280 ( -0.445 2.351 1.724) 2.950 4.504 ( 4.999 5.551 -1.375) 7.596 4.504 ( 4.999 5.551 1.375) 7.596 4.683 ( 2.461 0.605 -4.004) 4.739 4.683 ( 2.461 0.605 4.004) 4.739 4.922 ( 0.143 7.246 -2.520) 7.673 4.922 ( 0.143 7.246 2.520) 7.673 5.156 ( 1.588 -6.844 -1.528) 7.190 5.156 ( 1.588 -6.844 1.528) 7.190 5.474 ( 1.847 22.359 -4.447) 22.872 5.474 ( 1.847 22.359 4.447) 22.872 5.881 ( 5.249 3.290 -1.241) 6.318 5.881 ( 5.249 3.290 1.241) 6.318 6.113 ( 2.687 -20.959 -2.623) 21.293 6.113 ( 2.687 -20.959 2.623) 21.293 6.300 ( -1.698 -6.396 -0.360) 6.627 6.300 ( -1.698 -6.396 0.360) 6.627 6.552 ( 0.608 2.136 -5.949) 6.350 6.552 ( 0.608 2.136 5.949) 6.350 6.648 ( 0.315 -6.825 -5.553) 8.804 6.648 ( 0.315 -6.825 5.553) 8.804 7.289 ( 10.939 2.723 -5.621) 12.597 7.289 ( 10.939 2.723 5.621) 12.597 7.477 ( 2.435 -2.972 -2.878) 4.801 7.477 ( 2.435 -2.972 2.878) 4.801 7.699 ( -1.491 -0.516 -2.191) 2.700 7.699 ( -1.491 -0.516 2.191) 2.700 7.926 ( -2.323 -2.733 -3.174) 4.790 7.926 ( -2.323 -2.733 3.174) 4.790 8.566 ( -3.952 2.812 -4.094) 6.347 8.566 ( -3.952 2.812 4.094) 6.347 8.670 ( -5.141 -1.609 -3.704) 6.538 8.670 ( -5.141 -1.609 3.704) 6.538 8.904 ( 0.268 7.138 -1.405) 7.280 8.904 ( 0.268 7.138 1.405) 7.280 9.040 ( 1.558 -5.180 -2.774) 6.079 9.040 ( 1.558 -5.180 2.774) 6.079 11.477 ( -5.175 3.757 -0.431) 6.410 11.477 ( -5.175 3.757 0.431) 6.410 11.600 ( -4.250 -5.271 -2.183) 7.114 11.600 ( -4.250 -5.271 2.183) 7.114 ======================= Grid point 174 (60/60) ======================= q-point: ( 0.43 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 8.399 4.293 -4.264) 10.352 1.572 ( 8.399 4.293 4.264) 10.352 1.715 ( -3.214 -4.648 -2.782) 6.298 1.715 ( -3.214 -4.647 2.782) 6.298 1.898 ( -5.475 0.620 -2.377) 6.001 1.898 ( -5.475 0.620 2.377) 6.001 2.071 ( -9.570 3.974 -2.145) 10.582 2.071 ( -9.570 3.974 2.145) 10.582 2.418 ( -8.741 7.594 -5.676) 12.896 2.418 ( -8.741 7.594 5.676) 12.896 2.679 ( -0.894 -13.552 -4.886) 14.434 2.679 ( -0.894 -13.552 4.886) 14.434 3.143 ( -2.816 1.847 -1.965) 3.899 3.143 ( -2.816 1.847 1.965) 3.899 3.341 ( -15.587 -2.957 -3.851) 16.325 3.341 ( -15.587 -2.957 3.851) 16.325 4.238 ( 3.198 9.444 -3.159) 10.459 4.238 ( 3.198 9.444 3.159) 10.459 4.303 ( 0.716 3.378 -0.899) 3.568 4.303 ( 0.717 3.378 0.899) 3.568 4.586 ( 2.265 7.219 -1.152) 7.653 4.586 ( 2.265 7.219 1.152) 7.653 4.726 ( 1.353 -1.152 -2.008) 2.682 4.726 ( 1.353 -1.152 2.008) 2.682 4.934 ( 0.745 10.076 -1.727) 10.250 4.934 ( 0.745 10.076 1.727) 10.250 5.184 ( 0.822 -5.831 -1.085) 5.988 5.184 ( 0.822 -5.831 1.085) 5.988 5.507 ( 0.954 25.820 -1.940) 25.911 5.507 ( 0.954 25.820 1.940) 25.911 5.965 ( 3.624 0.301 -0.556) 3.679 5.965 ( 3.624 0.301 0.556) 3.679 6.102 ( -3.273 -5.293 -2.930) 6.878 6.102 ( -3.273 -5.293 2.930) 6.878 6.288 ( 0.277 -21.259 -0.991) 21.284 6.288 ( 0.277 -21.259 0.991) 21.284 6.535 ( -1.120 -0.063 -2.344) 2.599 6.535 ( -1.120 -0.063 2.344) 2.599 6.627 ( -1.134 -7.245 -2.278) 7.679 6.627 ( -1.134 -7.245 2.278) 7.679 7.433 ( 3.406 0.223 -2.770) 4.396 7.433 ( 3.406 0.223 2.770) 4.396 7.478 ( -1.541 -1.813 -1.007) 2.584 7.478 ( -1.541 -1.813 1.007) 2.584 7.770 ( 5.584 1.189 -3.212) 6.551 7.770 ( 5.584 1.189 3.212) 6.551 7.896 ( -1.342 -3.091 -4.440) 5.574 7.896 ( -1.342 -3.091 4.440) 5.574 8.507 ( -1.533 4.196 -2.051) 4.916 8.507 ( -1.533 4.196 2.051) 4.916 8.592 ( -2.150 -2.939 -1.838) 4.079 8.592 ( -2.150 -2.939 1.838) 4.079 8.908 ( 0.123 8.133 -0.619) 8.158 8.908 ( 0.123 8.133 0.619) 8.158 9.064 ( 0.649 -6.244 -1.064) 6.367 9.064 ( 0.649 -6.244 1.064) 6.367 11.389 ( -2.625 5.020 -0.785) 5.719 11.389 ( -2.625 5.020 0.785) 5.719 11.522 ( -2.518 -6.454 -0.447) 6.943 11.522 ( -2.518 -6.454 0.447) 6.943 =================== 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 3/16800 10.0 141.008 134.085 156.095 0.000 0.000 -0.000 3/16800 20.0 49.206 34.002 46.008 0.000 0.000 0.000 3/16800 30.0 27.611 18.699 24.241 0.000 0.000 0.000 3/16800 40.0 17.747 12.021 15.211 0.000 0.000 0.000 3/16800 50.0 12.600 8.629 10.716 0.000 0.000 0.000 3/16800 60.0 9.597 6.689 8.150 0.000 0.000 0.000 3/16800 70.0 7.688 5.463 6.534 0.000 0.000 0.000 3/16800 80.0 6.392 4.626 5.439 0.000 0.000 0.000 3/16800 90.0 5.464 4.020 4.655 0.000 0.000 0.000 3/16800 100.0 4.771 3.560 4.070 0.000 0.000 0.000 3/16800 110.0 4.236 3.199 3.618 0.000 0.000 0.000 3/16800 120.0 3.811 2.907 3.258 0.000 0.000 0.000 3/16800 130.0 3.466 2.666 2.966 0.000 0.000 0.000 3/16800 140.0 3.179 2.463 2.723 0.000 0.000 0.000 3/16800 150.0 2.938 2.290 2.518 0.000 0.000 0.000 3/16800 160.0 2.732 2.141 2.343 0.000 0.000 0.000 3/16800 170.0 2.554 2.010 2.191 0.000 0.000 0.000 3/16800 180.0 2.398 1.895 2.058 0.000 0.000 0.000 3/16800 190.0 2.261 1.792 1.941 0.000 0.000 0.000 3/16800 200.0 2.139 1.701 1.837 0.000 0.000 0.000 3/16800 210.0 2.029 1.618 1.744 0.000 0.000 0.000 3/16800 220.0 1.931 1.543 1.660 0.000 0.000 0.000 3/16800 230.0 1.842 1.475 1.584 0.000 0.000 0.000 3/16800 240.0 1.761 1.413 1.515 0.000 0.000 0.000 3/16800 250.0 1.687 1.356 1.452 0.000 0.000 0.000 3/16800 260.0 1.619 1.303 1.394 0.000 0.000 0.000 3/16800 270.0 1.557 1.254 1.340 0.000 0.000 0.000 3/16800 280.0 1.499 1.209 1.291 0.000 0.000 0.000 3/16800 290.0 1.446 1.167 1.245 0.000 0.000 0.000 3/16800 300.0 1.396 1.128 1.202 0.000 0.000 0.000 3/16800 310.0 1.349 1.092 1.162 0.000 0.000 0.000 3/16800 320.0 1.306 1.057 1.125 0.000 0.000 0.000 3/16800 330.0 1.265 1.025 1.090 0.000 0.000 0.000 3/16800 340.0 1.227 0.995 1.058 0.000 0.000 0.000 3/16800 350.0 1.191 0.966 1.027 0.000 0.000 0.000 3/16800 360.0 1.157 0.939 0.998 0.000 0.000 0.000 3/16800 370.0 1.126 0.914 0.970 0.000 0.000 0.000 3/16800 380.0 1.095 0.890 0.944 0.000 0.000 0.000 3/16800 390.0 1.067 0.867 0.920 0.000 0.000 0.000 3/16800 400.0 1.040 0.845 0.896 0.000 0.000 0.000 3/16800 410.0 1.014 0.825 0.874 0.000 0.000 0.000 3/16800 420.0 0.989 0.805 0.853 0.000 0.000 0.000 3/16800 430.0 0.966 0.786 0.833 0.000 0.000 0.000 3/16800 440.0 0.944 0.768 0.814 0.000 0.000 0.000 3/16800 450.0 0.922 0.751 0.796 0.000 0.000 0.000 3/16800 460.0 0.902 0.735 0.778 0.000 0.000 0.000 3/16800 470.0 0.883 0.719 0.761 0.000 0.000 0.000 3/16800 480.0 0.864 0.704 0.745 0.000 0.000 0.000 3/16800 490.0 0.846 0.690 0.730 0.000 0.000 0.000 3/16800 500.0 0.829 0.676 0.715 0.000 0.000 0.000 3/16800 510.0 0.813 0.663 0.701 0.000 0.000 0.000 3/16800 520.0 0.797 0.650 0.688 0.000 0.000 0.000 3/16800 530.0 0.782 0.638 0.675 0.000 0.000 0.000 3/16800 540.0 0.767 0.626 0.662 0.000 0.000 0.000 3/16800 550.0 0.753 0.615 0.650 0.000 0.000 0.000 3/16800 560.0 0.740 0.604 0.638 0.000 0.000 0.000 3/16800 570.0 0.727 0.593 0.627 0.000 0.000 0.000 3/16800 580.0 0.714 0.583 0.616 0.000 0.000 0.000 3/16800 590.0 0.702 0.573 0.605 0.000 0.000 0.000 3/16800 600.0 0.690 0.564 0.595 0.000 0.000 0.000 3/16800 610.0 0.679 0.554 0.586 0.000 0.000 0.000 3/16800 620.0 0.668 0.545 0.576 0.000 0.000 0.000 3/16800 630.0 0.657 0.537 0.567 0.000 0.000 0.000 3/16800 640.0 0.647 0.528 0.558 0.000 0.000 0.000 3/16800 650.0 0.637 0.520 0.549 0.000 0.000 0.000 3/16800 660.0 0.627 0.512 0.541 0.000 0.000 0.000 3/16800 670.0 0.617 0.505 0.533 0.000 0.000 0.000 3/16800 680.0 0.608 0.497 0.525 0.000 0.000 0.000 3/16800 690.0 0.599 0.490 0.517 0.000 0.000 0.000 3/16800 700.0 0.591 0.483 0.510 0.000 0.000 0.000 3/16800 710.0 0.583 0.476 0.503 0.000 0.000 0.000 3/16800 720.0 0.574 0.470 0.496 0.000 0.000 0.000 3/16800 730.0 0.566 0.463 0.489 0.000 0.000 0.000 3/16800 740.0 0.559 0.457 0.482 0.000 0.000 0.000 3/16800 750.0 0.551 0.451 0.476 0.000 0.000 0.000 3/16800 760.0 0.544 0.445 0.470 0.000 0.000 0.000 3/16800 770.0 0.537 0.439 0.463 0.000 0.000 0.000 3/16800 780.0 0.530 0.434 0.457 0.000 0.000 0.000 3/16800 790.0 0.523 0.428 0.452 0.000 0.000 0.000 3/16800 800.0 0.517 0.423 0.446 0.000 0.000 0.000 3/16800 810.0 0.510 0.418 0.441 0.000 0.000 0.000 3/16800 820.0 0.504 0.413 0.435 0.000 0.000 0.000 3/16800 830.0 0.498 0.408 0.430 0.000 0.000 0.000 3/16800 840.0 0.492 0.403 0.425 0.000 0.000 0.000 3/16800 850.0 0.486 0.398 0.420 0.000 0.000 0.000 3/16800 860.0 0.481 0.393 0.415 0.000 0.000 0.000 3/16800 870.0 0.475 0.389 0.410 0.000 0.000 0.000 3/16800 880.0 0.470 0.384 0.405 0.000 0.000 0.000 3/16800 890.0 0.464 0.380 0.401 0.000 0.000 0.000 3/16800 900.0 0.459 0.376 0.396 0.000 0.000 0.000 3/16800 910.0 0.454 0.372 0.392 0.000 0.000 0.000 3/16800 920.0 0.449 0.368 0.388 0.000 0.000 0.000 3/16800 930.0 0.444 0.364 0.384 0.000 0.000 0.000 3/16800 940.0 0.440 0.360 0.379 0.000 0.000 0.000 3/16800 950.0 0.435 0.356 0.375 0.000 0.000 0.000 3/16800 960.0 0.430 0.352 0.372 0.000 0.000 0.000 3/16800 970.0 0.426 0.349 0.368 0.000 0.000 0.000 3/16800 980.0 0.422 0.345 0.364 0.000 0.000 0.000 3/16800 990.0 0.417 0.342 0.360 0.000 0.000 0.000 3/16800 1000.0 0.413 0.338 0.357 0.000 0.000 0.000 3/16800 Thermal conductivity related properties were written into "kappa-m758.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:34:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|