----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:34:34]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R3c (161) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.457695225794003 1.418951000198223 4.383643033333329 b -2.457695225793998 1.418951000198223 4.383643033333329 c 0.000000000000003 -2.837902000396450 4.383643033333329 Atomic positions (fractional): *1 H 0.39490055411885 0.09893938056662 0.69609966194196 1.008 2 H 0.09893938056662 0.69609966194196 0.39490055411885 1.008 3 H 0.69609966194196 0.39490055411885 0.09893938056662 1.008 4 H 0.59893938056662 0.89490055411885 0.19609966194196 1.008 5 H 0.19609966194196 0.59893938056662 0.89490055411885 1.008 6 H 0.89490055411885 0.19609966194196 0.59893938056662 1.008 *7 Li 0.28970658469173 0.28970658469174 0.28970658469173 6.941 8 Li 0.78970658469174 0.78970658469174 0.78970658469174 6.941 *9 Mg 0.00015381534751 0.00015381534751 0.00015381534751 24.305 10 Mg 0.50015381534751 0.50015381534751 0.50015381534751 24.305 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.915390451588001 0.000000000000000 0.000000000000000 b -2.457695225794001 4.256853000594672 0.000000000000000 c 0.000000000000000 0.000000000000000 13.150929100000001 Atomic positions (fractional): *1 H 0.33158735524304 0.36721353693385 0.06331319887581 1.008 > 1 2 H 0.03562618169081 0.66841264475696 0.06331319887581 1.008 > 2 3 H 0.63278646306615 0.96437381830919 0.06331319887581 1.008 > 3 4 H 0.36895951502414 0.03388020360051 0.22997986554248 1.008 > 4 5 H 0.96611979639949 0.33507931142363 0.22997986554248 1.008 > 5 6 H 0.66492068857637 0.63104048497586 0.22997986554248 1.008 > 6 7 H 0.99825402190971 0.70054687026718 0.39664653220914 1.008 > 1 8 H 0.70229284835747 0.00174597809029 0.39664653220914 1.008 > 2 9 H 0.29945312973282 0.29770715164253 0.39664653220914 1.008 > 3 10 H 0.03562618169081 0.36721353693385 0.56331319887581 1.008 > 4 11 H 0.63278646306615 0.66841264475696 0.56331319887581 1.008 > 5 12 H 0.33158735524304 0.96437381830919 0.56331319887581 1.008 > 6 13 H 0.66492068857637 0.03388020360051 0.72997986554248 1.008 > 1 14 H 0.36895951502414 0.33507931142363 0.72997986554248 1.008 > 2 15 H 0.96611979639949 0.63104048497586 0.72997986554248 1.008 > 3 16 H 0.70229284835747 0.70054687026718 0.89664653220914 1.008 > 4 17 H 0.29945312973282 0.00174597809029 0.89664653220914 1.008 > 5 18 H 0.99825402190971 0.29770715164252 0.89664653220914 1.008 > 6 *19 Li 0.00000000000000 0.00000000000000 0.28970658469173 6.941 > 7 20 Li 0.66666666666667 0.33333333333333 0.12303991802507 6.941 > 8 21 Li 0.66666666666667 0.33333333333333 0.62303991802507 6.941 > 7 22 Li 0.33333333333333 0.66666666666667 0.45637325135840 6.941 > 8 23 Li 0.33333333333333 0.66666666666667 0.95637325135840 6.941 > 7 24 Li 0.00000000000000 0.00000000000000 0.78970658469174 6.941 > 8 *25 Mg 0.00000000000000 0.00000000000000 0.00015381534751 24.305 > 9 26 Mg 0.33333333333333 0.66666666666667 0.16682048201418 24.305 > 10 27 Mg 0.66666666666667 0.33333333333333 0.33348714868084 24.305 > 9 28 Mg 0.00000000000000 0.00000000000000 0.50015381534751 24.305 > 10 29 Mg 0.33333333333333 0.66666666666667 0.66682048201418 24.305 > 9 30 Mg 0.66666666666667 0.33333333333333 0.83348714868084 24.305 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.830780903176002 0.000000000000000 0.000000000000000 b -4.915390451588002 8.513706001189345 0.000000000000000 c 0.000000000000000 0.000000000000000 13.150929100000001 Atomic positions (fractional): *1 H 0.16579367762152 0.18360676846692 0.06331319887581 1.008 > 1 2 H 0.66579367762152 0.18360676846692 0.06331319887581 1.008 > 1 3 H 0.16579367762152 0.68360676846692 0.06331319887581 1.008 > 1 4 H 0.66579367762152 0.68360676846692 0.06331319887581 1.008 > 1 5 H 0.01781309084540 0.33420632237848 0.06331319887581 1.008 > 2 6 H 0.51781309084540 0.33420632237848 0.06331319887581 1.008 > 2 7 H 0.01781309084540 0.83420632237848 0.06331319887581 1.008 > 2 8 H 0.51781309084540 0.83420632237848 0.06331319887581 1.008 > 2 9 H 0.31639323153308 0.48218690915460 0.06331319887581 1.008 > 3 10 H 0.81639323153308 0.48218690915460 0.06331319887581 1.008 > 3 11 H 0.31639323153308 0.98218690915460 0.06331319887581 1.008 > 3 12 H 0.81639323153308 0.98218690915460 0.06331319887581 1.008 > 3 13 H 0.18447975751207 0.01694010180026 0.22997986554248 1.008 > 4 14 H 0.68447975751207 0.01694010180026 0.22997986554248 1.008 > 4 15 H 0.18447975751207 0.51694010180026 0.22997986554248 1.008 > 4 16 H 0.68447975751207 0.51694010180026 0.22997986554248 1.008 > 4 17 H 0.48305989819974 0.16753965571181 0.22997986554248 1.008 > 5 18 H 0.98305989819974 0.16753965571181 0.22997986554248 1.008 > 5 19 H 0.48305989819974 0.66753965571181 0.22997986554248 1.008 > 5 20 H 0.98305989819974 0.66753965571181 0.22997986554248 1.008 > 5 21 H 0.33246034428819 0.31552024248793 0.22997986554248 1.008 > 6 22 H 0.83246034428819 0.31552024248793 0.22997986554248 1.008 > 6 23 H 0.33246034428819 0.81552024248793 0.22997986554248 1.008 > 6 24 H 0.83246034428819 0.81552024248793 0.22997986554248 1.008 > 6 25 H 0.49912701095485 0.35027343513359 0.39664653220914 1.008 > 1 26 H 0.99912701095485 0.35027343513359 0.39664653220914 1.008 > 1 27 H 0.49912701095485 0.85027343513359 0.39664653220914 1.008 > 1 28 H 0.99912701095485 0.85027343513359 0.39664653220914 1.008 > 1 29 H 0.35114642417874 0.00087298904515 0.39664653220914 1.008 > 2 30 H 0.85114642417874 0.00087298904515 0.39664653220914 1.008 > 2 31 H 0.35114642417874 0.50087298904515 0.39664653220914 1.008 > 2 32 H 0.85114642417874 0.50087298904515 0.39664653220914 1.008 > 2 33 H 0.14972656486641 0.14885357582126 0.39664653220914 1.008 > 3 34 H 0.64972656486641 0.14885357582126 0.39664653220914 1.008 > 3 35 H 0.14972656486641 0.64885357582126 0.39664653220914 1.008 > 3 36 H 0.64972656486641 0.64885357582126 0.39664653220914 1.008 > 3 37 H 0.01781309084540 0.18360676846692 0.56331319887581 1.008 > 4 38 H 0.51781309084540 0.18360676846692 0.56331319887581 1.008 > 4 39 H 0.01781309084540 0.68360676846692 0.56331319887581 1.008 > 4 40 H 0.51781309084540 0.68360676846692 0.56331319887581 1.008 > 4 41 H 0.31639323153308 0.33420632237848 0.56331319887581 1.008 > 5 42 H 0.81639323153308 0.33420632237848 0.56331319887581 1.008 > 5 43 H 0.31639323153308 0.83420632237848 0.56331319887581 1.008 > 5 44 H 0.81639323153308 0.83420632237848 0.56331319887581 1.008 > 5 45 H 0.16579367762152 0.48218690915460 0.56331319887581 1.008 > 6 46 H 0.66579367762152 0.48218690915460 0.56331319887581 1.008 > 6 47 H 0.16579367762152 0.98218690915460 0.56331319887581 1.008 > 6 48 H 0.66579367762152 0.98218690915460 0.56331319887581 1.008 > 6 49 H 0.33246034428819 0.01694010180026 0.72997986554248 1.008 > 1 50 H 0.83246034428819 0.01694010180026 0.72997986554248 1.008 > 1 51 H 0.33246034428819 0.51694010180026 0.72997986554248 1.008 > 1 52 H 0.83246034428819 0.51694010180026 0.72997986554248 1.008 > 1 53 H 0.18447975751207 0.16753965571181 0.72997986554248 1.008 > 2 54 H 0.68447975751207 0.16753965571181 0.72997986554248 1.008 > 2 55 H 0.18447975751207 0.66753965571181 0.72997986554248 1.008 > 2 56 H 0.68447975751207 0.66753965571181 0.72997986554248 1.008 > 2 57 H 0.48305989819974 0.31552024248793 0.72997986554248 1.008 > 3 58 H 0.98305989819974 0.31552024248793 0.72997986554248 1.008 > 3 59 H 0.48305989819974 0.81552024248793 0.72997986554248 1.008 > 3 60 H 0.98305989819974 0.81552024248793 0.72997986554248 1.008 > 3 61 H 0.35114642417874 0.35027343513359 0.89664653220914 1.008 > 4 62 H 0.85114642417874 0.35027343513359 0.89664653220914 1.008 > 4 63 H 0.35114642417874 0.85027343513359 0.89664653220914 1.008 > 4 64 H 0.85114642417874 0.85027343513359 0.89664653220914 1.008 > 4 65 H 0.14972656486641 0.00087298904515 0.89664653220914 1.008 > 5 66 H 0.64972656486641 0.00087298904515 0.89664653220914 1.008 > 5 67 H 0.14972656486641 0.50087298904515 0.89664653220914 1.008 > 5 68 H 0.64972656486641 0.50087298904515 0.89664653220914 1.008 > 5 69 H 0.49912701095485 0.14885357582126 0.89664653220914 1.008 > 6 70 H 0.99912701095485 0.14885357582126 0.89664653220914 1.008 > 6 71 H 0.49912701095485 0.64885357582126 0.89664653220914 1.008 > 6 72 H 0.99912701095485 0.64885357582126 0.89664653220914 1.008 > 6 *73 Li 0.00000000000000 0.00000000000000 0.28970658469173 6.941 > 7 74 Li 0.50000000000000 0.00000000000000 0.28970658469173 6.941 > 7 75 Li 0.00000000000000 0.50000000000000 0.28970658469173 6.941 > 7 76 Li 0.50000000000000 0.50000000000000 0.28970658469173 6.941 > 7 77 Li 0.33333333333333 0.16666666666667 0.12303991802507 6.941 > 8 78 Li 0.83333333333333 0.16666666666667 0.12303991802507 6.941 > 8 79 Li 0.33333333333333 0.66666666666667 0.12303991802507 6.941 > 8 80 Li 0.83333333333333 0.66666666666667 0.12303991802507 6.941 > 8 81 Li 0.33333333333333 0.16666666666667 0.62303991802507 6.941 > 7 82 Li 0.83333333333333 0.16666666666667 0.62303991802507 6.941 > 7 83 Li 0.33333333333333 0.66666666666667 0.62303991802507 6.941 > 7 84 Li 0.83333333333333 0.66666666666667 0.62303991802507 6.941 > 7 85 Li 0.16666666666667 0.33333333333333 0.45637325135840 6.941 > 8 86 Li 0.66666666666667 0.33333333333333 0.45637325135840 6.941 > 8 87 Li 0.16666666666667 0.83333333333333 0.45637325135840 6.941 > 8 88 Li 0.66666666666667 0.83333333333333 0.45637325135840 6.941 > 8 89 Li 0.16666666666667 0.33333333333333 0.95637325135840 6.941 > 7 90 Li 0.66666666666667 0.33333333333333 0.95637325135840 6.941 > 7 91 Li 0.16666666666667 0.83333333333333 0.95637325135840 6.941 > 7 92 Li 0.66666666666667 0.83333333333333 0.95637325135840 6.941 > 7 93 Li 0.00000000000000 0.00000000000000 0.78970658469174 6.941 > 8 94 Li 0.50000000000000 0.00000000000000 0.78970658469174 6.941 > 8 95 Li 0.00000000000000 0.50000000000000 0.78970658469174 6.941 > 8 96 Li 0.50000000000000 0.50000000000000 0.78970658469174 6.941 > 8 *97 Mg 0.00000000000000 0.00000000000000 0.00015381534751 24.305 > 9 98 Mg 0.50000000000000 0.00000000000000 0.00015381534751 24.305 > 9 99 Mg 0.00000000000000 0.50000000000000 0.00015381534751 24.305 > 9 100 Mg 0.50000000000000 0.50000000000000 0.00015381534751 24.305 > 9 101 Mg 0.16666666666667 0.33333333333333 0.16682048201418 24.305 > 10 102 Mg 0.66666666666667 0.33333333333333 0.16682048201418 24.305 > 10 103 Mg 0.16666666666667 0.83333333333333 0.16682048201418 24.305 > 10 104 Mg 0.66666666666667 0.83333333333333 0.16682048201418 24.305 > 10 105 Mg 0.33333333333333 0.16666666666667 0.33348714868084 24.305 > 9 106 Mg 0.83333333333333 0.16666666666667 0.33348714868084 24.305 > 9 107 Mg 0.33333333333333 0.66666666666667 0.33348714868084 24.305 > 9 108 Mg 0.83333333333333 0.66666666666667 0.33348714868084 24.305 > 9 109 Mg 0.00000000000000 0.00000000000000 0.50015381534751 24.305 > 10 110 Mg 0.50000000000000 0.00000000000000 0.50015381534751 24.305 > 10 111 Mg 0.00000000000000 0.50000000000000 0.50015381534751 24.305 > 10 112 Mg 0.50000000000000 0.50000000000000 0.50015381534751 24.305 > 10 113 Mg 0.16666666666667 0.33333333333333 0.66682048201418 24.305 > 9 114 Mg 0.66666666666667 0.33333333333333 0.66682048201418 24.305 > 9 115 Mg 0.16666666666667 0.83333333333333 0.66682048201418 24.305 > 9 116 Mg 0.66666666666667 0.83333333333333 0.66682048201418 24.305 > 9 117 Mg 0.33333333333333 0.16666666666667 0.83348714868084 24.305 > 10 118 Mg 0.83333333333333 0.16666666666667 0.83348714868084 24.305 > 10 119 Mg 0.33333333333333 0.66666666666667 0.83348714868084 24.305 > 10 120 Mg 0.83333333333333 0.66666666666667 0.83348714868084 24.305 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1769584 0.0000000 0.0000000 0.0000000 4.1769584 0.0000000 0.0000000 0.0000000 4.2308915 -------------------------- Born effective charges -------------------------- 1 H -0.8590548 0.0187758 -0.0718859 0.0295175 -0.9940122 -0.1067959 -0.0554836 -0.1088075 -0.9410852 2 H -0.9811844 0.0409941 -0.0565451 0.0517358 -0.8718825 0.1156529 -0.0664882 0.1024540 -0.9410852 3 H -0.9393612 -0.0758824 0.1284309 -0.0651407 -0.9137058 -0.0088570 0.1219719 0.0063535 -0.9410852 4 H -0.8590548 -0.0187758 0.0718859 -0.0295175 -0.9940122 -0.1067959 0.0554836 -0.1088075 -0.9410852 5 H -0.9811844 -0.0409941 0.0565451 -0.0517358 -0.8718825 0.1156529 0.0664882 0.1024540 -0.9410852 6 H -0.9393612 0.0758824 -0.1284309 0.0651407 -0.9137058 -0.0088570 -0.1219719 0.0063535 -0.9410852 7 Li 0.9522721 -0.0103299 0.0000000 0.0103299 0.9522721 0.0000000 0.0000000 -0.0000000 0.9437368 8 Li 0.9522721 0.0103299 0.0000000 -0.0103299 0.9522721 0.0000000 0.0000000 -0.0000000 0.9437368 9 Mg 1.8273284 -0.1299514 0.0000000 0.1299514 1.8273284 0.0000000 0.0000000 -0.0000000 1.8795188 10 Mg 1.8273284 0.1299514 0.0000000 -0.1299514 1.8273284 0.0000000 0.0000000 -0.0000000 1.8795188 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 925 Number of blocks in projector: 450 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 13 --- Eigsh_solver_block: 1 / 13 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 2 / 13 --- Block_size: 374 Use standard eigh solver. --- Eigsh_solver_block: 3 / 13 --- Block_size: 117 Use standard eigh solver. --- Eigsh_solver_block: 4 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 10 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 11 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 12 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 13 / 13 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (925, 910), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (117, 114), data: True |-- (374, 370), data: True |-- (424, 416), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.017 Solver_block: 100 / 240 - Time: 0.245 Solver_block: 200 / 240 - Time: 0.264 Solver_block: 240 / 240 - Time: 0.139 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.678 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 925 Number of blocks in projector: 450 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 13 --- Eigsh_solver_block: 1 / 13 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 2 / 13 --- Block_size: 374 Use standard eigh solver. --- Eigsh_solver_block: 3 / 13 --- Block_size: 117 Use standard eigh solver. --- Eigsh_solver_block: 4 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 10 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 11 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 12 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 13 / 13 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (925, 910), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (117, 114), data: True |-- (374, 370), data: True |-- (424, 416), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:34:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:34:44]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R3c (161) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.457695225794003 1.418951000198223 4.383643033333329 b -2.457695225793998 1.418951000198223 4.383643033333329 c 0.000000000000003 -2.837902000396450 4.383643033333329 Atomic positions (fractional): 1 H 0.39490055411885 0.09893938056662 0.69609966194196 1.008 2 H 0.09893938056662 0.69609966194196 0.39490055411885 1.008 3 H 0.69609966194196 0.39490055411885 0.09893938056662 1.008 4 H 0.59893938056662 0.89490055411885 0.19609966194196 1.008 5 H 0.19609966194196 0.59893938056662 0.89490055411885 1.008 6 H 0.89490055411885 0.19609966194196 0.59893938056662 1.008 7 Li 0.28970658469173 0.28970658469174 0.28970658469173 6.941 8 Li 0.78970658469174 0.78970658469174 0.78970658469174 6.941 9 Mg 0.00015381534751 0.00015381534751 0.00015381534751 24.305 10 Mg 0.50015381534751 0.50015381534751 0.50015381534751 24.305 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.830780903176002 0.000000000000000 0.000000000000000 b -4.915390451588002 8.513706001189345 0.000000000000000 c 0.000000000000000 0.000000000000000 13.150929100000001 Atomic positions (fractional): 1 H 0.16579367762152 0.18360676846692 0.06331319887581 1.008 > 1 2 H 0.66579367762152 0.18360676846692 0.06331319887581 1.008 > 1 3 H 0.16579367762152 0.68360676846692 0.06331319887581 1.008 > 1 4 H 0.66579367762152 0.68360676846692 0.06331319887581 1.008 > 1 5 H 0.01781309084540 0.33420632237848 0.06331319887581 1.008 > 5 6 H 0.51781309084540 0.33420632237848 0.06331319887581 1.008 > 5 7 H 0.01781309084540 0.83420632237848 0.06331319887581 1.008 > 5 8 H 0.51781309084540 0.83420632237848 0.06331319887581 1.008 > 5 9 H 0.31639323153308 0.48218690915460 0.06331319887581 1.008 > 9 10 H 0.81639323153308 0.48218690915460 0.06331319887581 1.008 > 9 11 H 0.31639323153308 0.98218690915460 0.06331319887581 1.008 > 9 12 H 0.81639323153308 0.98218690915460 0.06331319887581 1.008 > 9 13 H 0.18447975751207 0.01694010180026 0.22997986554248 1.008 > 13 14 H 0.68447975751207 0.01694010180026 0.22997986554248 1.008 > 13 15 H 0.18447975751207 0.51694010180026 0.22997986554248 1.008 > 13 16 H 0.68447975751207 0.51694010180026 0.22997986554248 1.008 > 13 17 H 0.48305989819974 0.16753965571181 0.22997986554248 1.008 > 17 18 H 0.98305989819974 0.16753965571181 0.22997986554248 1.008 > 17 19 H 0.48305989819974 0.66753965571181 0.22997986554248 1.008 > 17 20 H 0.98305989819974 0.66753965571181 0.22997986554248 1.008 > 17 21 H 0.33246034428819 0.31552024248793 0.22997986554248 1.008 > 21 22 H 0.83246034428819 0.31552024248793 0.22997986554248 1.008 > 21 23 H 0.33246034428819 0.81552024248793 0.22997986554248 1.008 > 21 24 H 0.83246034428819 0.81552024248793 0.22997986554248 1.008 > 21 25 H 0.49912701095485 0.35027343513359 0.39664653220914 1.008 > 1 26 H 0.99912701095485 0.35027343513359 0.39664653220914 1.008 > 1 27 H 0.49912701095485 0.85027343513359 0.39664653220914 1.008 > 1 28 H 0.99912701095485 0.85027343513359 0.39664653220914 1.008 > 1 29 H 0.35114642417874 0.00087298904515 0.39664653220914 1.008 > 5 30 H 0.85114642417874 0.00087298904515 0.39664653220914 1.008 > 5 31 H 0.35114642417874 0.50087298904515 0.39664653220914 1.008 > 5 32 H 0.85114642417874 0.50087298904515 0.39664653220914 1.008 > 5 33 H 0.14972656486641 0.14885357582126 0.39664653220914 1.008 > 9 34 H 0.64972656486641 0.14885357582126 0.39664653220914 1.008 > 9 35 H 0.14972656486641 0.64885357582126 0.39664653220914 1.008 > 9 36 H 0.64972656486641 0.64885357582126 0.39664653220914 1.008 > 9 37 H 0.01781309084540 0.18360676846692 0.56331319887581 1.008 > 13 38 H 0.51781309084540 0.18360676846692 0.56331319887581 1.008 > 13 39 H 0.01781309084540 0.68360676846692 0.56331319887581 1.008 > 13 40 H 0.51781309084540 0.68360676846692 0.56331319887581 1.008 > 13 41 H 0.31639323153308 0.33420632237848 0.56331319887581 1.008 > 17 42 H 0.81639323153308 0.33420632237848 0.56331319887581 1.008 > 17 43 H 0.31639323153308 0.83420632237848 0.56331319887581 1.008 > 17 44 H 0.81639323153308 0.83420632237848 0.56331319887581 1.008 > 17 45 H 0.16579367762152 0.48218690915460 0.56331319887581 1.008 > 21 46 H 0.66579367762152 0.48218690915460 0.56331319887581 1.008 > 21 47 H 0.16579367762152 0.98218690915460 0.56331319887581 1.008 > 21 48 H 0.66579367762152 0.98218690915460 0.56331319887581 1.008 > 21 49 H 0.33246034428819 0.01694010180026 0.72997986554248 1.008 > 1 50 H 0.83246034428819 0.01694010180026 0.72997986554248 1.008 > 1 51 H 0.33246034428819 0.51694010180026 0.72997986554248 1.008 > 1 52 H 0.83246034428819 0.51694010180026 0.72997986554248 1.008 > 1 53 H 0.18447975751207 0.16753965571181 0.72997986554248 1.008 > 5 54 H 0.68447975751207 0.16753965571181 0.72997986554248 1.008 > 5 55 H 0.18447975751207 0.66753965571181 0.72997986554248 1.008 > 5 56 H 0.68447975751207 0.66753965571181 0.72997986554248 1.008 > 5 57 H 0.48305989819974 0.31552024248793 0.72997986554248 1.008 > 9 58 H 0.98305989819974 0.31552024248793 0.72997986554248 1.008 > 9 59 H 0.48305989819974 0.81552024248793 0.72997986554248 1.008 > 9 60 H 0.98305989819974 0.81552024248793 0.72997986554248 1.008 > 9 61 H 0.35114642417874 0.35027343513359 0.89664653220914 1.008 > 13 62 H 0.85114642417874 0.35027343513359 0.89664653220914 1.008 > 13 63 H 0.35114642417874 0.85027343513359 0.89664653220914 1.008 > 13 64 H 0.85114642417874 0.85027343513359 0.89664653220914 1.008 > 13 65 H 0.14972656486641 0.00087298904515 0.89664653220914 1.008 > 17 66 H 0.64972656486641 0.00087298904515 0.89664653220914 1.008 > 17 67 H 0.14972656486641 0.50087298904515 0.89664653220914 1.008 > 17 68 H 0.64972656486641 0.50087298904515 0.89664653220914 1.008 > 17 69 H 0.49912701095485 0.14885357582126 0.89664653220914 1.008 > 21 70 H 0.99912701095485 0.14885357582126 0.89664653220914 1.008 > 21 71 H 0.49912701095485 0.64885357582126 0.89664653220914 1.008 > 21 72 H 0.99912701095485 0.64885357582126 0.89664653220914 1.008 > 21 73 Li 0.00000000000000 0.00000000000000 0.28970658469173 6.941 > 73 74 Li 0.50000000000000 0.00000000000000 0.28970658469173 6.941 > 73 75 Li 0.00000000000000 0.50000000000000 0.28970658469173 6.941 > 73 76 Li 0.50000000000000 0.50000000000000 0.28970658469173 6.941 > 73 77 Li 0.33333333333333 0.16666666666667 0.12303991802507 6.941 > 77 78 Li 0.83333333333333 0.16666666666667 0.12303991802507 6.941 > 77 79 Li 0.33333333333333 0.66666666666667 0.12303991802507 6.941 > 77 80 Li 0.83333333333333 0.66666666666667 0.12303991802507 6.941 > 77 81 Li 0.33333333333333 0.16666666666667 0.62303991802507 6.941 > 73 82 Li 0.83333333333333 0.16666666666667 0.62303991802507 6.941 > 73 83 Li 0.33333333333333 0.66666666666667 0.62303991802507 6.941 > 73 84 Li 0.83333333333333 0.66666666666667 0.62303991802507 6.941 > 73 85 Li 0.16666666666667 0.33333333333333 0.45637325135840 6.941 > 77 86 Li 0.66666666666667 0.33333333333333 0.45637325135840 6.941 > 77 87 Li 0.16666666666667 0.83333333333333 0.45637325135840 6.941 > 77 88 Li 0.66666666666667 0.83333333333333 0.45637325135840 6.941 > 77 89 Li 0.16666666666667 0.33333333333333 0.95637325135840 6.941 > 73 90 Li 0.66666666666667 0.33333333333333 0.95637325135840 6.941 > 73 91 Li 0.16666666666667 0.83333333333333 0.95637325135840 6.941 > 73 92 Li 0.66666666666667 0.83333333333333 0.95637325135840 6.941 > 73 93 Li 0.00000000000000 0.00000000000000 0.78970658469174 6.941 > 77 94 Li 0.50000000000000 0.00000000000000 0.78970658469174 6.941 > 77 95 Li 0.00000000000000 0.50000000000000 0.78970658469174 6.941 > 77 96 Li 0.50000000000000 0.50000000000000 0.78970658469174 6.941 > 77 97 Mg 0.00000000000000 0.00000000000000 0.00015381534751 24.305 > 97 98 Mg 0.50000000000000 0.00000000000000 0.00015381534751 24.305 > 97 99 Mg 0.00000000000000 0.50000000000000 0.00015381534751 24.305 > 97 100 Mg 0.50000000000000 0.50000000000000 0.00015381534751 24.305 > 97 101 Mg 0.16666666666667 0.33333333333333 0.16682048201418 24.305 > 101 102 Mg 0.66666666666667 0.33333333333333 0.16682048201418 24.305 > 101 103 Mg 0.16666666666667 0.83333333333333 0.16682048201418 24.305 > 101 104 Mg 0.66666666666667 0.83333333333333 0.16682048201418 24.305 > 101 105 Mg 0.33333333333333 0.16666666666667 0.33348714868084 24.305 > 97 106 Mg 0.83333333333333 0.16666666666667 0.33348714868084 24.305 > 97 107 Mg 0.33333333333333 0.66666666666667 0.33348714868084 24.305 > 97 108 Mg 0.83333333333333 0.66666666666667 0.33348714868084 24.305 > 97 109 Mg 0.00000000000000 0.00000000000000 0.50015381534751 24.305 > 101 110 Mg 0.50000000000000 0.00000000000000 0.50015381534751 24.305 > 101 111 Mg 0.00000000000000 0.50000000000000 0.50015381534751 24.305 > 101 112 Mg 0.50000000000000 0.50000000000000 0.50015381534751 24.305 > 101 113 Mg 0.16666666666667 0.33333333333333 0.66682048201418 24.305 > 97 114 Mg 0.66666666666667 0.33333333333333 0.66682048201418 24.305 > 97 115 Mg 0.16666666666667 0.83333333333333 0.66682048201418 24.305 > 97 116 Mg 0.66666666666667 0.83333333333333 0.66682048201418 24.305 > 97 117 Mg 0.33333333333333 0.16666666666667 0.83348714868084 24.305 > 101 118 Mg 0.83333333333333 0.16666666666667 0.83348714868084 24.305 > 101 119 Mg 0.33333333333333 0.66666666666667 0.83348714868084 24.305 > 101 120 Mg 0.83333333333333 0.66666666666667 0.83348714868084 24.305 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1769584 0.0000000 0.0000000 0.0000000 4.1769584 0.0000000 0.0000000 0.0000000 4.2308915 -------------------------- Born effective charges -------------------------- 1 H -0.8590548 0.0187758 -0.0718859 0.0295175 -0.9940122 -0.1067959 -0.0554836 -0.1088075 -0.9410852 2 H -0.9811844 0.0409941 -0.0565451 0.0517358 -0.8718825 0.1156529 -0.0664882 0.1024540 -0.9410852 3 H -0.9393612 -0.0758824 0.1284309 -0.0651407 -0.9137058 -0.0088570 0.1219719 0.0063535 -0.9410852 4 H -0.8590548 -0.0187758 0.0718859 -0.0295175 -0.9940122 -0.1067959 0.0554836 -0.1088075 -0.9410852 5 H -0.9811844 -0.0409941 0.0565451 -0.0517358 -0.8718825 0.1156529 0.0664882 0.1024540 -0.9410852 6 H -0.9393612 0.0758824 -0.1284309 0.0651407 -0.9137058 -0.0088570 -0.1219719 0.0063535 -0.9410852 7 Li 0.9522721 -0.0103299 0.0000000 0.0103299 0.9522721 0.0000000 0.0000000 -0.0000000 0.9437368 8 Li 0.9522721 0.0103299 0.0000000 -0.0103299 0.9522721 0.0000000 0.0000000 -0.0000000 0.9437368 9 Mg 1.8273284 -0.1299514 0.0000000 0.1299514 1.8273284 0.0000000 0.0000000 -0.0000000 1.8795188 10 Mg 1.8273284 0.1299514 0.0000000 -0.1299514 1.8273284 0.0000000 0.0000000 -0.0000000 1.8795188 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxz) 0.00000000 (xxz) 0.00000000 (xzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:34:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:34:53]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R3c (161) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.457695225794003 1.418951000198223 4.383643033333329 b -2.457695225793998 1.418951000198223 4.383643033333329 c 0.000000000000003 -2.837902000396450 4.383643033333329 Atomic positions (fractional): 1 H 0.39490055411885 0.09893938056662 0.69609966194196 1.008 2 H 0.09893938056662 0.69609966194196 0.39490055411885 1.008 3 H 0.69609966194196 0.39490055411885 0.09893938056662 1.008 4 H 0.59893938056662 0.89490055411885 0.19609966194196 1.008 5 H 0.19609966194196 0.59893938056662 0.89490055411885 1.008 6 H 0.89490055411885 0.19609966194196 0.59893938056662 1.008 7 Li 0.28970658469173 0.28970658469174 0.28970658469173 6.941 8 Li 0.78970658469174 0.78970658469174 0.78970658469174 6.941 9 Mg 0.00015381534751 0.00015381534751 0.00015381534751 24.305 10 Mg 0.50015381534751 0.50015381534751 0.50015381534751 24.305 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.830780903176002 0.000000000000000 0.000000000000000 b -4.915390451588002 8.513706001189345 0.000000000000000 c 0.000000000000000 0.000000000000000 13.150929100000001 Atomic positions (fractional): 1 H 0.16579367762152 0.18360676846692 0.06331319887581 1.008 > 1 2 H 0.66579367762152 0.18360676846692 0.06331319887581 1.008 > 1 3 H 0.16579367762152 0.68360676846692 0.06331319887581 1.008 > 1 4 H 0.66579367762152 0.68360676846692 0.06331319887581 1.008 > 1 5 H 0.01781309084540 0.33420632237848 0.06331319887581 1.008 > 5 6 H 0.51781309084540 0.33420632237848 0.06331319887581 1.008 > 5 7 H 0.01781309084540 0.83420632237848 0.06331319887581 1.008 > 5 8 H 0.51781309084540 0.83420632237848 0.06331319887581 1.008 > 5 9 H 0.31639323153308 0.48218690915460 0.06331319887581 1.008 > 9 10 H 0.81639323153308 0.48218690915460 0.06331319887581 1.008 > 9 11 H 0.31639323153308 0.98218690915460 0.06331319887581 1.008 > 9 12 H 0.81639323153308 0.98218690915460 0.06331319887581 1.008 > 9 13 H 0.18447975751207 0.01694010180026 0.22997986554248 1.008 > 13 14 H 0.68447975751207 0.01694010180026 0.22997986554248 1.008 > 13 15 H 0.18447975751207 0.51694010180026 0.22997986554248 1.008 > 13 16 H 0.68447975751207 0.51694010180026 0.22997986554248 1.008 > 13 17 H 0.48305989819974 0.16753965571181 0.22997986554248 1.008 > 17 18 H 0.98305989819974 0.16753965571181 0.22997986554248 1.008 > 17 19 H 0.48305989819974 0.66753965571181 0.22997986554248 1.008 > 17 20 H 0.98305989819974 0.66753965571181 0.22997986554248 1.008 > 17 21 H 0.33246034428819 0.31552024248793 0.22997986554248 1.008 > 21 22 H 0.83246034428819 0.31552024248793 0.22997986554248 1.008 > 21 23 H 0.33246034428819 0.81552024248793 0.22997986554248 1.008 > 21 24 H 0.83246034428819 0.81552024248793 0.22997986554248 1.008 > 21 25 H 0.49912701095485 0.35027343513359 0.39664653220914 1.008 > 1 26 H 0.99912701095485 0.35027343513359 0.39664653220914 1.008 > 1 27 H 0.49912701095485 0.85027343513359 0.39664653220914 1.008 > 1 28 H 0.99912701095485 0.85027343513359 0.39664653220914 1.008 > 1 29 H 0.35114642417874 0.00087298904515 0.39664653220914 1.008 > 5 30 H 0.85114642417874 0.00087298904515 0.39664653220914 1.008 > 5 31 H 0.35114642417874 0.50087298904515 0.39664653220914 1.008 > 5 32 H 0.85114642417874 0.50087298904515 0.39664653220914 1.008 > 5 33 H 0.14972656486641 0.14885357582126 0.39664653220914 1.008 > 9 34 H 0.64972656486641 0.14885357582126 0.39664653220914 1.008 > 9 35 H 0.14972656486641 0.64885357582126 0.39664653220914 1.008 > 9 36 H 0.64972656486641 0.64885357582126 0.39664653220914 1.008 > 9 37 H 0.01781309084540 0.18360676846692 0.56331319887581 1.008 > 13 38 H 0.51781309084540 0.18360676846692 0.56331319887581 1.008 > 13 39 H 0.01781309084540 0.68360676846692 0.56331319887581 1.008 > 13 40 H 0.51781309084540 0.68360676846692 0.56331319887581 1.008 > 13 41 H 0.31639323153308 0.33420632237848 0.56331319887581 1.008 > 17 42 H 0.81639323153308 0.33420632237848 0.56331319887581 1.008 > 17 43 H 0.31639323153308 0.83420632237848 0.56331319887581 1.008 > 17 44 H 0.81639323153308 0.83420632237848 0.56331319887581 1.008 > 17 45 H 0.16579367762152 0.48218690915460 0.56331319887581 1.008 > 21 46 H 0.66579367762152 0.48218690915460 0.56331319887581 1.008 > 21 47 H 0.16579367762152 0.98218690915460 0.56331319887581 1.008 > 21 48 H 0.66579367762152 0.98218690915460 0.56331319887581 1.008 > 21 49 H 0.33246034428819 0.01694010180026 0.72997986554248 1.008 > 1 50 H 0.83246034428819 0.01694010180026 0.72997986554248 1.008 > 1 51 H 0.33246034428819 0.51694010180026 0.72997986554248 1.008 > 1 52 H 0.83246034428819 0.51694010180026 0.72997986554248 1.008 > 1 53 H 0.18447975751207 0.16753965571181 0.72997986554248 1.008 > 5 54 H 0.68447975751207 0.16753965571181 0.72997986554248 1.008 > 5 55 H 0.18447975751207 0.66753965571181 0.72997986554248 1.008 > 5 56 H 0.68447975751207 0.66753965571181 0.72997986554248 1.008 > 5 57 H 0.48305989819974 0.31552024248793 0.72997986554248 1.008 > 9 58 H 0.98305989819974 0.31552024248793 0.72997986554248 1.008 > 9 59 H 0.48305989819974 0.81552024248793 0.72997986554248 1.008 > 9 60 H 0.98305989819974 0.81552024248793 0.72997986554248 1.008 > 9 61 H 0.35114642417874 0.35027343513359 0.89664653220914 1.008 > 13 62 H 0.85114642417874 0.35027343513359 0.89664653220914 1.008 > 13 63 H 0.35114642417874 0.85027343513359 0.89664653220914 1.008 > 13 64 H 0.85114642417874 0.85027343513359 0.89664653220914 1.008 > 13 65 H 0.14972656486641 0.00087298904515 0.89664653220914 1.008 > 17 66 H 0.64972656486641 0.00087298904515 0.89664653220914 1.008 > 17 67 H 0.14972656486641 0.50087298904515 0.89664653220914 1.008 > 17 68 H 0.64972656486641 0.50087298904515 0.89664653220914 1.008 > 17 69 H 0.49912701095485 0.14885357582126 0.89664653220914 1.008 > 21 70 H 0.99912701095485 0.14885357582126 0.89664653220914 1.008 > 21 71 H 0.49912701095485 0.64885357582126 0.89664653220914 1.008 > 21 72 H 0.99912701095485 0.64885357582126 0.89664653220914 1.008 > 21 73 Li 0.00000000000000 0.00000000000000 0.28970658469173 6.941 > 73 74 Li 0.50000000000000 0.00000000000000 0.28970658469173 6.941 > 73 75 Li 0.00000000000000 0.50000000000000 0.28970658469173 6.941 > 73 76 Li 0.50000000000000 0.50000000000000 0.28970658469173 6.941 > 73 77 Li 0.33333333333333 0.16666666666667 0.12303991802507 6.941 > 77 78 Li 0.83333333333333 0.16666666666667 0.12303991802507 6.941 > 77 79 Li 0.33333333333333 0.66666666666667 0.12303991802507 6.941 > 77 80 Li 0.83333333333333 0.66666666666667 0.12303991802507 6.941 > 77 81 Li 0.33333333333333 0.16666666666667 0.62303991802507 6.941 > 73 82 Li 0.83333333333333 0.16666666666667 0.62303991802507 6.941 > 73 83 Li 0.33333333333333 0.66666666666667 0.62303991802507 6.941 > 73 84 Li 0.83333333333333 0.66666666666667 0.62303991802507 6.941 > 73 85 Li 0.16666666666667 0.33333333333333 0.45637325135840 6.941 > 77 86 Li 0.66666666666667 0.33333333333333 0.45637325135840 6.941 > 77 87 Li 0.16666666666667 0.83333333333333 0.45637325135840 6.941 > 77 88 Li 0.66666666666667 0.83333333333333 0.45637325135840 6.941 > 77 89 Li 0.16666666666667 0.33333333333333 0.95637325135840 6.941 > 73 90 Li 0.66666666666667 0.33333333333333 0.95637325135840 6.941 > 73 91 Li 0.16666666666667 0.83333333333333 0.95637325135840 6.941 > 73 92 Li 0.66666666666667 0.83333333333333 0.95637325135840 6.941 > 73 93 Li 0.00000000000000 0.00000000000000 0.78970658469174 6.941 > 77 94 Li 0.50000000000000 0.00000000000000 0.78970658469174 6.941 > 77 95 Li 0.00000000000000 0.50000000000000 0.78970658469174 6.941 > 77 96 Li 0.50000000000000 0.50000000000000 0.78970658469174 6.941 > 77 97 Mg 0.00000000000000 0.00000000000000 0.00015381534751 24.305 > 97 98 Mg 0.50000000000000 0.00000000000000 0.00015381534751 24.305 > 97 99 Mg 0.00000000000000 0.50000000000000 0.00015381534751 24.305 > 97 100 Mg 0.50000000000000 0.50000000000000 0.00015381534751 24.305 > 97 101 Mg 0.16666666666667 0.33333333333333 0.16682048201418 24.305 > 101 102 Mg 0.66666666666667 0.33333333333333 0.16682048201418 24.305 > 101 103 Mg 0.16666666666667 0.83333333333333 0.16682048201418 24.305 > 101 104 Mg 0.66666666666667 0.83333333333333 0.16682048201418 24.305 > 101 105 Mg 0.33333333333333 0.16666666666667 0.33348714868084 24.305 > 97 106 Mg 0.83333333333333 0.16666666666667 0.33348714868084 24.305 > 97 107 Mg 0.33333333333333 0.66666666666667 0.33348714868084 24.305 > 97 108 Mg 0.83333333333333 0.66666666666667 0.33348714868084 24.305 > 97 109 Mg 0.00000000000000 0.00000000000000 0.50015381534751 24.305 > 101 110 Mg 0.50000000000000 0.00000000000000 0.50015381534751 24.305 > 101 111 Mg 0.00000000000000 0.50000000000000 0.50015381534751 24.305 > 101 112 Mg 0.50000000000000 0.50000000000000 0.50015381534751 24.305 > 101 113 Mg 0.16666666666667 0.33333333333333 0.66682048201418 24.305 > 97 114 Mg 0.66666666666667 0.33333333333333 0.66682048201418 24.305 > 97 115 Mg 0.16666666666667 0.83333333333333 0.66682048201418 24.305 > 97 116 Mg 0.66666666666667 0.83333333333333 0.66682048201418 24.305 > 97 117 Mg 0.33333333333333 0.16666666666667 0.83348714868084 24.305 > 101 118 Mg 0.83333333333333 0.16666666666667 0.83348714868084 24.305 > 101 119 Mg 0.33333333333333 0.66666666666667 0.83348714868084 24.305 > 101 120 Mg 0.83333333333333 0.66666666666667 0.83348714868084 24.305 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1769584 0.0000000 0.0000000 0.0000000 4.1769584 0.0000000 0.0000000 0.0000000 4.2308915 -------------------------- Born effective charges -------------------------- 1 H -0.8590548 0.0187758 -0.0718859 0.0295175 -0.9940122 -0.1067959 -0.0554836 -0.1088075 -0.9410852 2 H -0.9811844 0.0409941 -0.0565451 0.0517358 -0.8718825 0.1156529 -0.0664882 0.1024540 -0.9410852 3 H -0.9393612 -0.0758824 0.1284309 -0.0651407 -0.9137058 -0.0088570 0.1219719 0.0063535 -0.9410852 4 H -0.8590548 -0.0187758 0.0718859 -0.0295175 -0.9940122 -0.1067959 0.0554836 -0.1088075 -0.9410852 5 H -0.9811844 -0.0409941 0.0565451 -0.0517358 -0.8718825 0.1156529 0.0664882 0.1024540 -0.9410852 6 H -0.9393612 0.0758824 -0.1284309 0.0651407 -0.9137058 -0.0088570 -0.1219719 0.0063535 -0.9410852 7 Li 0.9522721 -0.0103299 0.0000000 0.0103299 0.9522721 0.0000000 0.0000000 -0.0000000 0.9437368 8 Li 0.9522721 0.0103299 0.0000000 -0.0103299 0.9522721 0.0000000 0.0000000 -0.0000000 0.9437368 9 Mg 1.8273284 -0.1299514 0.0000000 0.1299514 1.8273284 0.0000000 0.0000000 -0.0000000 1.8795188 10 Mg 1.8273284 0.1299514 0.0000000 -0.1299514 1.8273284 0.0000000 0.0000000 -0.0000000 1.8795188 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxz) 0.00000000 (xxz) 0.00000000 (xzx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 12 ] 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: 0.92, Number of G-points: 297, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/189) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 189 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 6.044 ( -0.000 0.000 0.000) 0.000 7.426 ( 0.000 -0.000 0.000) 0.000 7.426 ( 0.000 0.000 -0.000) 0.000 9.405 ( 0.000 0.000 -0.000) 0.000 9.881 ( 0.000 0.000 0.000) 0.000 9.881 ( 0.000 -0.000 -0.000) 0.000 10.981 ( 0.000 -0.000 -0.000) 0.000 10.981 ( 0.000 0.000 0.000) 0.000 11.285 ( 0.000 0.000 -0.000) 0.000 16.184 ( 0.000 -0.000 0.000) 0.000 19.127 ( 0.000 0.000 0.000) 0.000 19.127 ( 0.000 0.000 0.000) 0.000 20.355 ( 0.000 0.000 -0.000) 0.000 20.355 ( 0.000 -0.000 -0.000) 0.000 25.013 ( 0.000 0.000 -0.000) 0.000 25.013 ( 0.000 0.000 -0.000) 0.000 25.363 ( 0.000 0.000 -0.000) 0.000 26.399 ( 0.000 0.000 -0.000) 0.000 28.596 ( 0.000 0.000 0.000) 0.000 28.596 ( 0.000 -0.000 0.000) 0.000 30.565 ( -0.000 0.000 0.000) 0.000 33.821 ( 0.000 0.000 0.000) 0.000 33.821 ( 0.000 0.000 0.000) 0.000 36.491 ( 0.000 0.000 0.000) 0.000 38.749 ( 0.000 -0.000 0.000) 0.000 38.749 ( 0.000 0.000 0.000) 0.000 41.401 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/189) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 39.352 22.720 14.003) 47.549 1.005 ( 39.463 22.784 16.878) 48.594 1.728 ( 67.909 39.207 23.934) 81.986 5.956 ( -7.209 -4.162 -1.296) 8.425 7.321 ( -6.281 -3.626 -8.323) 11.039 7.368 ( -8.623 -4.978 0.244) 9.960 9.415 ( 0.903 0.521 -1.689) 1.985 9.854 ( -0.910 -0.525 -4.622) 4.740 9.964 ( 4.483 2.589 8.062) 9.581 10.928 ( -5.656 -3.266 4.812) 8.113 10.993 ( 1.802 1.040 -6.141) 6.484 11.324 ( 2.967 1.713 -0.167) 3.431 16.600 ( -20.160 -11.639 97.081) 99.833 19.052 ( -6.219 -3.591 0.004) 7.181 19.712 ( -2.001 -1.155 9.311) 9.594 20.452 ( 9.157 5.287 -4.560) 11.515 22.172 ( 1.385 0.800 9.339) 9.475 25.006 ( -0.323 -0.187 -0.993) 1.061 25.302 ( -5.100 -2.945 -0.853) 5.951 26.339 ( 0.479 0.276 -8.540) 8.558 28.301 ( -0.004 -0.002 -0.735) 0.735 28.614 ( 2.432 1.404 -2.848) 3.999 30.499 ( -5.298 -3.059 -1.487) 6.296 30.671 ( 7.832 4.522 -38.495) 39.543 33.901 ( 7.189 4.150 -1.024) 8.364 34.966 ( 22.310 12.881 -63.981) 68.973 36.810 ( -24.083 -13.904 80.589) 85.252 38.699 ( -3.159 -1.824 -4.427) 5.736 40.711 ( 6.073 3.506 -15.495) 17.008 41.381 ( -1.472 -0.850 -0.888) 1.917 ======================= Grid point 2 (3/189) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 37.200 21.477 12.504) 44.737 1.972 ( 36.666 21.169 16.040) 45.275 3.339 ( 60.812 35.110 21.361) 73.397 5.724 ( -11.633 -6.716 -1.967) 13.576 7.074 ( -8.953 -5.169 -12.594) 16.293 7.101 ( -15.111 -8.724 2.105) 17.575 9.392 ( -2.261 -1.306 -2.867) 3.878 9.812 ( 1.290 0.745 -7.188) 7.341 10.151 ( 5.447 3.145 12.902) 14.353 10.805 ( -8.254 -4.765 7.472) 12.111 11.005 ( 4.214 2.433 -11.476) 12.465 11.386 ( 1.724 0.996 0.787) 2.141 16.820 ( -2.164 -1.249 50.152) 50.214 18.872 ( -8.896 -5.136 -1.159) 10.337 19.748 ( -0.688 -0.397 13.032) 13.056 20.670 ( 12.827 7.406 -8.446) 17.050 22.305 ( 6.223 3.593 5.447) 9.017 24.982 ( -0.744 -0.430 -5.403) 5.471 25.136 ( -8.614 -4.973 1.560) 10.068 26.279 ( -3.159 -1.824 -0.495) 3.681 28.286 ( -0.325 -0.188 -3.403) 3.423 28.664 ( 3.797 2.192 -4.453) 6.249 30.322 ( -8.489 -4.901 -3.306) 10.345 30.581 ( -0.561 -0.324 -14.867) 14.881 34.121 ( 12.709 7.337 -1.891) 14.796 35.107 ( 14.464 8.351 -23.613) 28.922 36.764 ( -13.737 -7.931 40.275) 43.286 38.550 ( -6.324 -3.651 -8.880) 11.497 40.765 ( 4.739 2.736 -6.482) 8.483 41.327 ( -2.506 -1.447 -1.567) 3.290 ======================= Grid point 3 (4/189) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( 34.021 19.642 10.104) 40.563 2.857 ( 32.753 18.910 14.995) 40.684 4.684 ( 45.797 26.441 16.189) 55.304 5.448 ( -10.923 -6.307 -1.187) 12.669 6.734 ( -18.025 -10.407 2.195) 20.929 6.775 ( -9.912 -5.723 -13.719) 17.867 9.300 ( -2.662 -1.537 -2.249) 3.809 9.837 ( 4.901 2.829 -7.780) 9.621 10.338 ( 2.443 1.410 13.791) 14.077 10.674 ( -7.512 -4.337 11.018) 14.023 11.035 ( 6.073 3.506 -16.365) 17.804 11.384 ( -2.937 -1.696 0.762) 3.476 17.113 ( 4.197 2.423 33.234) 33.586 18.648 ( -9.539 -5.507 -2.981) 11.411 19.860 ( 2.033 1.174 18.159) 18.310 20.884 ( 11.147 6.435 -12.589) 18.004 22.522 ( 9.839 5.680 5.703) 12.712 24.791 ( -10.898 -6.292 -10.451) 16.358 25.068 ( 0.587 0.339 4.775) 4.822 26.193 ( -5.002 -2.888 2.334) 6.229 28.240 ( -1.346 -0.777 -4.742) 4.990 28.710 ( 2.116 1.222 -4.512) 5.131 30.104 ( -7.517 -4.340 -5.226) 10.131 30.468 ( -3.643 -2.103 -5.538) 6.954 34.434 ( 15.852 9.152 -2.473) 18.471 35.306 ( 11.701 6.755 -8.643) 16.039 36.710 ( -9.880 -5.704 28.378) 30.585 38.302 ( -9.323 -5.383 -13.289) 17.102 40.837 ( 4.222 2.438 -3.070) 5.761 41.254 ( -2.889 -1.668 -1.892) 3.835 ======================= Grid point 4 (5/189) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.606 ( 30.489 17.603 7.001) 35.895 3.637 ( 28.093 16.219 13.760) 35.236 5.243 ( -7.003 -4.043 0.330) 8.094 5.498 ( 15.925 9.194 7.820) 19.982 6.363 ( -13.451 -7.766 1.400) 15.595 6.465 ( -9.685 -5.592 -12.663) 16.894 9.340 ( 8.102 4.678 1.712) 9.511 9.922 ( 6.900 3.984 -7.844) 11.181 10.357 ( -6.918 -3.994 8.859) 11.929 10.681 ( -0.515 -0.297 18.415) 18.425 11.061 ( 6.134 3.541 -19.897) 21.120 11.245 ( -9.665 -5.580 -0.235) 11.163 17.412 ( 6.263 3.616 22.946) 24.059 18.409 ( -9.306 -5.373 -5.021) 11.861 20.072 ( 5.115 2.953 22.664) 23.421 20.983 ( 5.524 3.189 -17.406) 18.538 22.822 ( 12.871 7.431 7.513) 16.653 24.434 ( -14.254 -8.230 -10.568) 19.560 25.173 ( 6.148 3.549 3.643) 7.979 26.077 ( -6.859 -3.960 2.408) 8.278 28.180 ( -0.906 -0.523 -4.058) 4.190 28.670 ( -3.785 -2.185 -3.999) 5.924 29.960 ( -1.329 -0.767 -6.112) 6.302 30.349 ( -5.186 -2.994 -0.630) 6.021 34.788 ( 16.534 9.546 -2.650) 19.275 35.493 ( 6.946 4.010 -2.319) 8.349 36.704 ( -4.783 -2.761 25.022) 25.624 37.965 ( -11.642 -6.721 -17.420) 22.003 40.913 ( 3.550 2.050 -1.182) 4.266 41.177 ( -2.756 -1.591 -1.836) 3.674 ======================= Grid point 5 (6/189) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.292 ( 27.413 15.827 3.366) 31.832 4.293 ( 22.407 12.937 12.205) 28.608 5.098 ( -7.280 -4.203 -0.727) 8.437 5.444 ( -17.564 -10.141 0.281) 20.283 6.217 ( -5.130 -2.962 -8.103) 10.037 6.222 ( -2.555 -1.475 0.210) 2.957 9.688 ( 18.657 10.772 3.897) 21.893 10.059 ( 10.093 5.827 -6.179) 13.191 10.218 ( -9.168 -5.293 7.876) 13.195 10.751 ( -7.198 -4.156 11.027) 13.809 10.988 ( -10.270 -5.929 7.485) 14.023 11.052 ( 4.655 2.688 -21.832) 22.484 17.683 ( 6.899 3.983 15.668) 17.577 18.167 ( -8.544 -4.933 -7.390) 12.326 20.364 ( 6.824 3.940 25.139) 26.345 20.905 ( -1.163 -0.671 -21.998) 22.039 23.192 ( 14.913 8.610 9.520) 19.676 24.027 ( -15.439 -8.914 -10.978) 20.937 25.385 ( 10.339 5.969 3.164) 12.351 25.902 ( -9.564 -5.522 0.480) 11.054 28.177 ( 2.626 1.516 -1.255) 3.282 28.498 ( -8.445 -4.876 -3.554) 10.379 29.971 ( 4.955 2.861 -5.229) 7.751 30.222 ( -6.463 -3.731 1.998) 7.726 35.130 ( 14.745 8.513 -2.320) 17.183 35.546 ( -2.084 -1.203 -0.020) 2.407 36.846 ( 3.714 2.144 24.583) 24.954 37.568 ( -12.373 -7.144 -20.900) 25.317 40.982 ( 2.880 1.663 0.025) 3.325 41.108 ( -2.498 -1.442 -1.467) 3.236 ======================= Grid point 6 (7/189) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.752 ( -4.845 -2.797 -9.964) 11.427 4.752 ( 4.845 2.797 9.964) 11.427 4.973 ( -14.448 -8.342 -4.318) 17.233 4.973 ( 14.448 8.342 4.318) 17.233 6.161 ( 2.156 1.245 -1.567) 2.942 6.161 ( -2.156 -1.245 1.567) 2.942 10.041 ( -11.298 -6.523 5.332) 14.094 10.041 ( 11.298 6.523 -5.332) 14.094 10.391 ( -19.725 -11.388 -2.375) 22.900 10.391 ( 19.725 11.388 2.375) 22.900 10.995 ( 2.860 1.651 -21.785) 22.034 10.995 ( -2.860 -1.651 21.785) 22.034 17.928 ( -7.599 -4.387 -10.682) 13.824 17.928 ( 7.599 4.387 10.682) 13.824 20.672 ( -5.702 -3.292 -24.884) 25.740 20.672 ( 5.702 3.292 24.884) 25.740 23.605 ( -15.676 -9.051 -10.745) 21.050 23.605 ( 15.676 9.051 10.745) 21.050 25.655 ( -11.507 -6.644 -1.842) 13.414 25.655 ( 11.507 6.644 1.842) 13.414 28.292 ( -7.216 -4.166 -1.890) 8.544 28.292 ( 7.216 4.166 1.890) 8.544 30.085 ( -7.015 -4.050 3.697) 8.904 30.085 ( 7.015 4.050 -3.697) 8.904 35.406 ( -10.170 -5.872 1.414) 11.828 35.406 ( 10.170 5.872 -1.414) 11.828 37.165 ( -10.214 -5.897 -23.370) 26.178 37.165 ( 10.214 5.897 23.371) 26.178 41.044 ( -2.490 -1.437 -0.865) 3.002 41.044 ( 2.490 1.437 0.865) 3.002 ======================= Grid point 14 (8/189) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -0.000 39.852 29.993) 49.877 1.214 ( -0.000 41.404 30.283) 51.297 1.870 ( -0.000 68.310 38.354) 78.341 5.946 ( 0.000 -8.010 -2.283) 8.329 7.234 ( 0.000 -12.599 -12.543) 17.778 7.396 ( 0.000 -2.982 -0.728) 3.070 9.399 ( 0.000 1.020 -3.029) 3.196 9.857 ( 0.000 -0.560 -2.892) 2.946 9.983 ( -0.000 2.993 8.793) 9.288 10.836 ( 0.000 -10.373 -4.663) 11.373 11.099 ( -0.000 7.718 5.148) 9.277 11.306 ( 0.000 2.498 -2.192) 3.323 17.317 ( -0.000 -65.266 116.149) 133.230 19.071 ( 0.000 -5.622 2.101) 6.001 19.687 ( -0.000 -9.590 6.309) 11.479 20.515 ( -0.000 13.453 1.977) 13.598 22.180 ( -0.000 -9.760 10.057) 14.014 25.046 ( -0.000 -0.779 2.796) 2.902 25.307 ( 0.000 -3.571 0.079) 3.572 26.251 ( 0.000 9.224 -15.523) 18.056 28.301 ( 0.000 -0.720 -0.969) 1.207 28.605 ( 0.000 3.260 -3.766) 4.981 30.334 ( 0.000 31.834 -55.705) 64.160 30.490 ( 0.000 -5.553 -2.448) 6.069 34.013 ( -0.000 12.064 10.619) 16.072 34.512 ( 0.000 32.506 -50.501) 60.058 37.316 ( -0.000 -45.469 68.778) 82.449 38.718 ( 0.000 -1.509 -2.483) 2.905 40.526 ( 0.000 13.003 -25.784) 28.878 41.372 ( 0.000 -1.781 -1.857) 2.573 ======================= Grid point 15 (9/189) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 14.391 33.158 27.006) 45.121 1.970 ( 17.740 37.932 23.949) 48.240 3.113 ( 36.821 56.182 32.435) 74.594 5.781 ( -6.460 -10.337 -2.665) 12.477 6.969 ( -3.712 -15.513 -13.783) 21.081 7.272 ( -8.903 -4.852 -1.814) 10.301 9.388 ( -0.200 0.304 -3.838) 3.855 9.781 ( -3.280 -1.286 -4.593) 5.789 10.150 ( 7.224 2.601 11.055) 13.460 10.701 ( 1.838 -13.893 -5.546) 15.072 11.140 ( -7.555 10.221 2.230) 12.904 11.366 ( 3.420 3.105 0.512) 4.648 17.284 ( -13.174 -21.510 69.730) 74.152 18.965 ( -7.400 -5.236 1.987) 9.280 19.702 ( 7.083 -9.631 8.290) 14.548 20.674 ( 0.561 19.218 -2.443) 19.380 22.202 ( 6.988 -4.981 2.161) 8.850 24.976 ( -3.656 -4.860 -4.350) 7.477 25.247 ( -6.055 0.005 4.865) 7.768 26.266 ( 1.415 -0.059 -3.479) 3.756 28.275 ( -0.992 0.392 -3.786) 3.933 28.617 ( 1.134 4.254 -6.111) 7.531 30.348 ( -1.587 -2.994 -10.812) 11.330 30.400 ( 4.747 4.380 -20.616) 21.604 34.154 ( -2.247 16.990 4.587) 17.741 34.754 ( 19.956 14.195 -21.667) 32.699 37.167 ( -14.035 -21.324 42.572) 49.640 38.595 ( -8.049 -1.309 -7.041) 10.774 40.589 ( 9.850 3.697 -15.313) 18.579 41.326 ( -1.152 -2.493 -2.698) 3.850 ======================= Grid point 16 (10/189) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 22.271 25.015 20.474) 39.255 2.794 ( 21.639 32.497 19.672) 43.718 4.434 ( 37.484 42.102 24.678) 61.536 5.526 ( -8.780 -10.003 -1.899) 13.445 6.655 ( -4.888 -16.375 -12.457) 21.147 7.000 ( -14.876 -4.741 -3.323) 15.963 9.329 ( -3.381 -0.982 -2.939) 4.586 9.718 ( 2.392 -1.288 -6.244) 6.810 10.373 ( 6.156 1.497 11.672) 13.281 10.568 ( 4.778 -15.594 -4.498) 16.918 11.111 ( -7.402 11.128 -2.843) 13.664 11.433 ( -1.527 3.029 2.782) 4.387 17.377 ( -4.951 -4.601 45.443) 45.943 18.765 ( -10.877 -4.502 0.569) 11.786 19.836 ( 9.763 -7.028 14.374) 18.744 20.852 ( 0.675 19.937 -8.718) 21.770 22.345 ( 13.815 -3.827 1.137) 14.380 24.774 ( -5.770 -9.580 -11.496) 16.038 25.196 ( -6.854 4.389 8.447) 11.730 26.241 ( -2.057 -3.180 2.376) 4.471 28.225 ( -1.626 -0.124 -5.501) 5.737 28.648 ( 2.660 3.053 -6.894) 7.995 30.154 ( -7.569 -5.855 -4.790) 10.702 30.396 ( 3.438 -0.346 -12.715) 13.176 34.364 ( 5.946 15.559 0.853) 16.678 35.097 ( 15.985 9.822 -5.175) 19.462 37.016 ( -12.037 -11.125 30.235) 34.392 38.349 ( -11.193 -2.629 -12.419) 16.925 40.701 ( 9.423 0.907 -8.975) 13.045 41.255 ( -1.710 -2.793 -3.253) 4.616 ======================= Grid point 17 (11/189) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.321 ( 24.507 17.910 14.599) 33.682 3.569 ( 21.220 27.776 16.209) 38.530 5.279 ( -3.106 -6.027 2.123) 7.105 5.427 ( 17.385 21.763 12.731) 30.626 6.334 ( -5.811 -15.181 -9.432) 18.793 6.664 ( -16.324 -2.253 -5.021) 17.227 9.292 ( 2.393 2.060 0.217) 3.165 9.755 ( 7.372 -0.579 -6.603) 9.914 10.366 ( 0.392 -14.886 0.016) 14.891 10.656 ( 9.228 -0.141 7.395) 11.827 11.074 ( -6.060 9.671 -5.281) 12.575 11.385 ( -9.102 1.593 2.558) 9.588 17.565 ( -0.217 0.731 31.294) 31.303 18.529 ( -12.173 -3.672 -0.269) 12.717 20.073 ( 11.132 -2.901 19.133) 22.325 20.938 ( -2.504 14.562 -14.644) 20.804 22.613 ( 19.111 -1.152 2.672) 19.331 24.461 ( -9.217 -10.928 -14.320) 20.235 25.222 ( -2.296 6.381 8.280) 10.702 26.163 ( -5.351 -4.270 3.953) 7.905 28.157 ( -1.122 -0.912 -5.403) 5.593 28.651 ( 0.066 -0.569 -6.123) 6.150 29.964 ( -5.001 -2.116 -5.354) 7.626 30.353 ( -0.131 -2.568 -4.866) 5.504 34.657 ( 11.301 12.992 -0.182) 17.221 35.402 ( 9.804 7.918 2.845) 12.918 36.935 ( -7.782 -5.665 24.871) 26.669 38.012 ( -13.510 -4.146 -17.058) 22.152 40.809 ( 7.904 0.317 -5.344) 9.546 41.177 ( -1.660 -2.740 -3.456) 4.713 ======================= Grid point 18 (12/189) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.959 ( 24.581 11.719 9.414) 28.813 4.254 ( 18.660 23.742 12.679) 32.751 5.129 ( -5.068 -8.411 1.227) 9.896 5.652 ( -11.667 -2.938 2.342) 12.257 6.128 ( 0.559 -4.581 -5.363) 7.075 6.393 ( -11.537 2.374 -3.417) 12.264 9.502 ( 14.850 6.288 2.353) 16.297 9.877 ( 10.984 2.662 -4.217) 12.063 10.214 ( 0.529 -16.417 -0.406) 16.430 10.825 ( 3.514 2.208 1.194) 4.318 11.005 ( -7.146 2.193 -3.035) 8.068 11.215 ( -13.003 3.393 4.169) 14.070 17.765 ( 2.170 2.401 21.222) 21.468 18.282 ( -12.901 -2.700 -0.408) 13.187 20.385 ( 11.573 0.671 20.274) 23.354 20.857 ( -6.445 6.382 -18.320) 20.442 22.991 ( 21.260 2.939 4.443) 21.917 24.080 ( -11.783 -10.784 -15.154) 22.017 25.351 ( 3.955 7.155 6.947) 10.728 26.017 ( -8.949 -5.616 2.760) 10.920 28.127 ( 2.163 -0.058 -3.131) 3.806 28.541 ( -5.557 -4.608 -5.125) 8.853 29.907 ( 1.767 2.720 -4.690) 5.702 30.280 ( -3.172 -3.168 -0.483) 4.509 34.982 ( 13.260 10.223 -0.168) 16.744 35.583 ( 0.480 3.585 6.213) 7.189 36.985 ( -0.328 0.217 22.878) 22.881 37.604 ( -14.791 -4.937 -20.763) 25.967 40.905 ( 6.310 0.211 -3.051) 7.012 41.104 ( -1.290 -2.582 -3.332) 4.408 ======================= Grid point 19 (13/189) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.493 ( 22.072 5.768 3.858) 23.137 4.765 ( 4.141 7.315 3.553) 9.126 4.955 ( -0.001 -0.907 4.277) 4.372 5.253 ( -23.039 -8.120 -2.576) 24.564 6.135 ( 3.243 3.409 -0.987) 4.808 6.243 ( -7.277 0.726 -0.560) 7.335 9.795 ( 14.739 -0.617 -5.041) 15.590 10.029 ( 0.925 -15.974 -0.696) 16.016 10.226 ( 16.822 11.708 3.718) 20.830 10.627 ( -19.458 -7.920 -2.692) 21.180 10.926 ( -3.338 9.058 -13.279) 16.417 11.182 ( -3.484 1.992 16.671) 17.147 17.931 ( 1.351 0.257 4.801) 4.994 18.056 ( -10.792 1.094 8.039) 13.501 20.577 ( -3.346 -1.109 -22.520) 22.795 20.767 ( 4.347 3.786 21.239) 22.008 23.426 ( 20.635 5.611 5.019) 21.965 23.668 ( -12.954 -10.588 -14.248) 21.976 25.568 ( 8.315 6.798 4.803) 11.765 25.787 ( -11.877 -6.747 0.774) 13.682 28.205 ( 7.109 2.094 -0.376) 7.420 28.347 ( -6.846 -5.203 -3.291) 9.207 29.993 ( 5.924 4.893 -3.503) 8.444 30.179 ( -5.464 -3.336 2.277) 6.795 35.282 ( 11.689 6.598 -0.262) 13.425 35.560 ( -9.172 -1.159 8.506) 12.563 37.158 ( -10.449 -3.787 -19.897) 22.791 37.229 ( 3.751 4.818 17.806) 18.824 40.988 ( 4.960 0.174 -1.715) 5.251 41.041 ( -0.925 -2.455 -2.758) 3.806 ======================= Grid point 20 (14/189) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.398 ( -19.000 -15.948 -5.526) 25.414 4.669 ( -25.482 -7.182 -5.571) 27.055 4.922 ( 13.660 -1.165 0.752) 13.730 5.340 ( 12.080 16.742 5.365) 21.331 6.172 ( -0.162 -0.792 2.692) 2.811 6.283 ( 3.960 8.614 3.828) 10.224 9.793 ( -8.110 -15.697 -4.480) 18.228 9.973 ( 12.840 -3.226 -6.467) 14.734 10.198 ( -15.130 -8.519 -0.286) 17.365 10.648 ( 9.708 9.973 -1.709) 14.022 10.886 ( 1.849 10.035 -9.053) 13.641 11.259 ( -3.284 0.985 17.805) 18.132 17.736 ( -11.657 -3.145 -7.879) 14.417 18.178 ( 3.400 5.620 13.291) 14.825 20.271 ( -7.184 -4.902 -25.695) 27.127 21.044 ( 3.352 5.095 21.656) 22.498 23.241 ( -12.483 -12.120 -13.829) 22.226 23.871 ( 18.949 7.149 6.339) 21.222 25.510 ( -12.086 -6.152 -0.830) 13.587 25.805 ( 8.603 5.596 2.418) 10.543 28.201 ( -2.842 -3.235 -0.749) 4.371 28.395 ( 10.166 3.506 1.607) 10.873 30.067 ( -5.272 -2.657 3.805) 7.023 30.134 ( 6.186 4.546 -2.072) 7.952 35.331 ( -11.753 -5.348 3.745) 13.445 35.534 ( 2.446 4.011 6.530) 8.044 36.772 ( -9.043 -2.584 -25.086) 26.791 37.576 ( 10.630 7.814 19.218) 23.311 40.979 ( -0.719 -2.900 -2.732) 4.049 41.066 ( 3.996 0.609 -0.119) 4.044 ======================= Grid point 21 (15/189) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.811 ( -26.174 -17.079 -5.656) 31.761 4.051 ( -32.428 -7.088 -7.751) 34.087 5.106 ( 9.987 -1.381 -1.067) 10.138 5.628 ( -1.263 7.749 -0.119) 7.852 6.208 ( 4.395 -1.444 2.737) 5.375 6.493 ( 6.593 10.513 6.831) 14.165 9.442 ( -11.492 -7.920 -3.173) 14.314 9.949 ( -2.340 -11.240 1.366) 11.562 10.150 ( 12.121 -1.086 -6.067) 13.598 10.622 ( -6.015 4.166 -13.314) 15.192 11.136 ( 10.296 7.059 2.865) 12.808 11.302 ( -5.473 2.324 14.194) 15.389 17.434 ( -13.004 -3.212 -11.737) 17.810 18.383 ( 5.406 6.044 9.287) 12.329 19.956 ( -4.739 -6.287 -22.481) 23.820 21.213 ( -4.985 5.898 17.228) 18.879 22.841 ( -10.021 -13.485 -11.324) 20.261 24.288 ( 17.482 6.631 5.853) 19.592 25.269 ( -9.638 -3.253 -0.803) 10.204 25.988 ( 6.784 3.763 -0.272) 7.762 28.179 ( 1.549 -0.719 2.296) 2.862 28.604 ( 8.683 2.308 1.610) 9.128 30.008 ( -2.287 -0.579 5.491) 5.977 30.270 ( 6.505 3.268 -1.567) 7.447 35.045 ( -17.905 -5.583 6.011) 19.695 35.580 ( -4.120 -1.127 4.904) 6.503 36.528 ( -0.105 1.090 -23.444) 23.470 37.951 ( 11.082 7.487 15.473) 20.452 40.919 ( -1.068 -3.182 -1.892) 3.852 41.141 ( 3.797 0.830 0.508) 3.919 ======================= Grid point 22 (16/189) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( -32.483 -15.551 -6.134) 36.532 3.339 ( -38.051 -6.494 -7.128) 39.254 5.176 ( -29.012 -8.510 -5.210) 30.680 5.323 ( -0.484 1.168 -0.964) 1.590 6.437 ( 18.342 2.218 1.060) 18.506 6.782 ( 9.653 9.239 7.030) 15.098 9.307 ( -0.323 0.998 1.541) 1.865 9.841 ( 0.778 -9.999 1.544) 10.147 10.288 ( 5.038 1.170 -6.094) 7.993 10.484 ( 0.026 -0.296 -10.083) 10.088 11.264 ( -6.137 0.603 12.639) 14.063 11.350 ( 2.902 4.681 -0.915) 5.583 17.085 ( -13.869 -3.165 -16.074) 21.465 18.592 ( 6.669 5.570 5.858) 10.479 19.723 ( -0.806 -5.926 -16.399) 17.455 21.195 ( -14.507 5.434 11.686) 19.405 22.513 ( -5.975 -12.522 -7.881) 15.956 24.661 ( 15.678 4.866 4.809) 17.106 25.119 ( -5.748 -0.032 -0.510) 5.771 26.114 ( 5.545 2.223 -1.322) 6.119 28.240 ( 2.715 0.461 3.249) 4.259 28.724 ( 2.710 -0.001 1.687) 3.192 30.064 ( 4.145 1.935 4.777) 6.614 30.404 ( 7.124 1.868 0.221) 7.368 34.712 ( -19.767 -3.747 5.446) 20.844 35.462 ( -8.615 -4.476 5.440) 11.128 36.470 ( 5.434 3.083 -20.029) 20.980 38.278 ( 9.686 5.808 10.841) 15.655 40.858 ( -1.447 -3.155 -0.793) 3.561 41.218 ( 3.761 0.883 0.781) 3.942 ======================= Grid point 23 (17/189) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -38.745 -11.298 -5.170) 40.688 2.551 ( -43.812 -4.482 -4.807) 44.302 4.118 ( -65.101 -12.196 -7.457) 66.652 5.552 ( 14.503 2.498 0.654) 14.731 6.797 ( 20.350 1.052 0.956) 20.400 7.061 ( 9.805 5.950 4.066) 12.169 9.384 ( 2.884 2.631 2.349) 4.556 9.808 ( 3.223 -5.362 2.219) 6.638 10.184 ( -8.755 0.782 -6.828) 11.130 10.578 ( 12.481 -1.258 -3.560) 13.040 11.207 ( -8.629 1.824 7.118) 11.334 11.392 ( 0.044 0.427 -1.370) 1.436 16.713 ( -13.838 -2.350 -16.967) 22.020 18.786 ( 7.614 3.671 2.483) 8.810 19.611 ( 2.609 -3.906 -8.485) 9.699 20.993 ( -19.500 2.637 5.734) 20.496 22.298 ( -3.799 -7.106 -4.039) 9.013 24.961 ( 11.341 1.714 3.911) 12.118 25.062 ( -0.810 2.034 -1.294) 2.543 26.214 ( 5.345 1.074 -0.634) 5.488 28.296 ( 1.196 0.316 2.014) 2.364 28.729 ( -2.319 -0.621 1.665) 2.921 30.223 ( 8.637 2.013 2.321) 9.167 30.555 ( 7.916 0.942 2.634) 8.395 34.383 ( -18.955 -1.382 3.305) 19.291 35.325 ( -7.043 -3.981 9.243) 12.283 36.472 ( 4.963 2.289 -17.640) 18.468 38.522 ( 7.462 3.294 5.611) 9.900 40.803 ( -1.576 -2.286 0.480) 2.818 41.292 ( 3.519 0.622 0.606) 3.624 ======================= Grid point 24 (18/189) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -43.839 -0.000 0.000) 43.839 1.723 ( -48.594 -0.000 0.000) 48.594 2.786 ( -77.737 -0.000 0.000) 77.737 5.807 ( 12.777 0.000 -0.000) 12.777 7.135 ( 17.729 0.000 -0.000) 17.729 7.262 ( 8.410 0.000 -0.000) 8.410 9.429 ( 0.170 0.000 -0.000) 0.170 9.858 ( 2.999 0.000 -0.000) 2.999 10.011 ( -7.820 -0.000 0.000) 7.820 10.763 ( 10.826 0.000 -0.000) 10.826 11.106 ( -6.739 -0.000 0.000) 6.739 11.364 ( -2.442 -0.000 0.000) 2.442 16.401 ( -12.200 -0.000 0.000) 12.200 18.946 ( 8.011 0.000 -0.000) 8.011 19.621 ( 3.686 0.000 -0.000) 3.686 20.699 ( -17.684 -0.000 0.000) 17.684 22.185 ( -3.995 -0.000 0.000) 3.995 25.023 ( -0.701 -0.000 0.000) 0.701 25.196 ( 9.353 0.000 -0.000) 9.353 26.307 ( 4.836 0.000 -0.000) 4.836 28.311 ( -0.247 -0.000 0.000) 0.247 28.676 ( -3.819 -0.000 0.000) 3.819 30.395 ( 8.792 0.000 -0.000) 8.792 30.708 ( 7.393 0.000 -0.000) 7.393 34.096 ( -15.051 -0.000 0.000) 15.051 35.266 ( -3.076 -0.000 0.000) 3.076 36.464 ( 1.751 0.000 -0.000) 1.751 38.662 ( 5.052 0.000 -0.000) 5.052 40.771 ( -1.217 -0.000 0.000) 1.217 41.352 ( 2.752 0.000 -0.000) 2.752 ======================= Grid point 27 (19/189) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -0.000 36.587 28.100) 46.133 2.351 ( -0.000 36.922 27.125) 45.815 3.611 ( -0.000 61.730 33.776) 70.366 5.706 ( 0.000 -12.343 -2.575) 12.609 6.739 ( 0.000 -17.502 -15.772) 23.560 7.267 ( 0.000 -7.807 -3.772) 8.670 9.365 ( 0.000 0.389 -4.547) 4.564 9.788 ( 0.000 -1.458 -4.850) 5.064 10.153 ( -0.000 0.097 11.653) 11.653 10.500 ( 0.000 -15.232 -7.646) 17.043 11.309 ( 0.000 1.970 -3.950) 4.414 11.401 ( -0.000 13.187 8.607) 15.747 17.577 ( -0.000 -23.129 59.633) 63.961 19.025 ( -0.000 -3.579 6.920) 7.791 19.558 ( 0.000 -8.999 3.609) 9.696 20.859 ( -0.000 18.089 0.953) 18.114 22.077 ( 0.000 -4.544 -4.405) 6.329 24.891 ( 0.000 -12.475 -6.192) 13.927 25.382 ( -0.000 3.931 10.356) 11.077 26.231 ( 0.000 0.330 -2.320) 2.343 28.266 ( 0.000 1.163 -4.960) 5.094 28.614 ( 0.000 3.935 -6.852) 7.902 30.225 ( 0.000 9.483 -24.757) 26.511 30.322 ( 0.000 -6.691 -3.473) 7.538 34.507 ( 0.000 14.334 -22.718) 26.862 34.524 ( -0.000 20.078 18.618) 27.382 37.293 ( -0.000 -21.631 31.489) 38.203 38.632 ( 0.000 -2.553 -4.589) 5.252 40.424 ( 0.000 4.510 -16.988) 17.576 41.285 ( 0.000 -3.449 -3.680) 5.043 ======================= Grid point 28 (20/189) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( 3.731 31.466 25.484) 40.663 2.982 ( 11.512 33.847 22.975) 42.497 4.572 ( 19.582 50.973 28.025) 61.377 5.524 ( -4.916 -11.979 -1.637) 13.051 6.458 ( -1.441 -16.270 -14.799) 22.041 7.087 ( -6.841 -9.629 -5.781) 13.150 9.334 ( -0.677 -0.563 -4.135) 4.228 9.688 ( -3.970 -2.063 -4.609) 6.423 10.277 ( 4.254 -10.904 0.029) 11.704 10.339 ( 6.380 -6.358 2.513) 9.352 11.269 ( -3.776 3.527 -3.744) 6.381 11.572 ( -2.389 12.002 7.748) 14.484 17.682 ( -4.752 -11.030 44.101) 45.708 18.941 ( -10.939 -1.737 6.537) 12.862 19.635 ( 12.651 -7.137 9.549) 17.383 21.032 ( -1.018 19.468 -3.652) 19.834 22.068 ( 9.082 -5.497 -6.038) 12.213 24.671 ( -3.754 -14.516 -9.927) 17.982 25.440 ( -6.597 6.063 11.713) 14.747 26.232 ( 0.865 -2.766 1.952) 3.494 28.227 ( -2.093 1.318 -6.019) 6.507 28.604 ( 0.713 3.071 -8.033) 8.630 30.169 ( -2.761 -2.814 -7.818) 8.755 30.238 ( 3.153 0.006 -11.492) 11.916 34.477 ( -0.996 13.257 -8.168) 15.603 34.982 ( 12.080 17.644 12.582) 24.810 37.225 ( -6.371 -14.558 24.360) 29.085 38.465 ( -11.275 -2.052 -8.288) 14.143 40.456 ( 10.304 1.246 -13.261) 16.840 41.217 ( -0.608 -3.959 -4.386) 5.940 ======================= Grid point 29 (21/189) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.357 ( 9.236 24.479 19.956) 32.905 3.653 ( 15.125 29.023 18.736) 37.711 5.293 ( -3.879 -6.325 2.673) 7.887 5.485 ( 14.413 26.947 15.423) 34.231 6.204 ( -2.306 -10.626 -11.127) 15.558 6.804 ( -10.046 -8.571 -7.016) 14.953 9.284 ( -0.592 -0.714 -1.780) 2.007 9.625 ( 2.422 -0.483 -4.282) 4.943 10.117 ( 3.300 -17.972 -7.862) 19.893 10.555 ( 10.619 0.550 8.686) 13.730 11.208 ( -4.703 3.250 -3.428) 6.665 11.630 ( -8.981 9.920 6.233) 14.761 17.780 ( -2.830 -4.162 30.333) 30.748 18.755 ( -14.234 -0.130 7.285) 15.990 19.913 ( 15.633 -2.962 15.026) 21.885 21.108 ( -6.632 16.371 -10.877) 20.744 22.228 ( 20.097 -5.245 -3.335) 21.036 24.370 ( -5.846 -14.374 -13.673) 20.682 25.451 ( -7.762 7.497 11.231) 15.575 26.212 ( -1.964 -4.427 4.459) 6.583 28.147 ( -2.989 0.054 -6.298) 6.971 28.596 ( 1.271 0.819 -7.397) 7.549 30.011 ( -6.241 -2.269 -4.281) 7.901 30.249 ( 4.575 -1.329 -7.775) 9.119 34.612 ( 7.372 10.562 -4.759) 13.731 35.408 ( 8.014 15.567 14.663) 22.838 37.138 ( -6.519 -8.623 20.635) 23.295 38.137 ( -16.120 -2.199 -13.621) 21.218 40.587 ( 12.189 -0.528 -9.062) 15.197 41.137 ( -0.645 -3.972 -4.710) 6.195 ======================= Grid point 30 (22/189) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.856 ( 12.650 17.168 13.905) 25.458 4.283 ( 15.736 24.009 14.505) 32.163 5.145 ( -4.969 -8.178 3.054) 10.045 5.756 ( -3.094 -5.951 -1.039) 6.788 6.104 ( -2.643 5.454 -2.023) 6.390 6.547 ( -8.249 -1.805 -5.361) 10.002 9.345 ( 8.452 0.846 -0.010) 8.494 9.719 ( 9.178 4.307 -1.597) 10.263 9.957 ( 4.310 -17.710 -7.149) 19.578 10.777 ( 7.940 2.641 4.048) 9.295 11.121 ( -6.025 -0.306 -0.419) 6.047 11.544 ( -14.885 7.985 4.535) 17.489 17.880 ( -0.171 -1.787 17.742) 17.833 18.562 ( -16.263 1.794 11.375) 19.928 20.265 ( 14.884 1.373 13.693) 20.271 20.989 ( -10.927 7.379 -12.808) 18.382 22.591 ( 27.049 -1.144 -1.527) 27.116 24.027 ( -7.691 -12.906 -15.660) 21.702 25.486 ( -4.255 7.779 9.786) 13.205 26.119 ( -6.687 -5.602 4.092) 9.635 28.077 ( -0.012 -0.384 -4.692) 4.707 28.539 ( -2.652 -2.704 -5.839) 6.959 29.908 ( -1.986 2.113 -3.452) 4.508 30.252 ( 1.783 -2.436 -3.151) 4.364 34.851 ( 12.217 7.990 -2.735) 14.852 35.713 ( 0.270 10.958 15.825) 19.250 37.127 ( -1.895 -2.645 17.935) 18.228 37.721 ( -17.842 -2.737 -17.470) 25.120 40.729 ( 10.731 -0.861 -5.919) 12.286 41.062 ( -0.331 -3.657 -4.578) 5.869 ======================= Grid point 31 (23/189) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.292 ( 14.382 10.338 8.084) 19.470 4.794 ( 7.861 12.677 6.400) 16.232 4.992 ( -3.717 -4.125 5.639) 7.914 5.481 ( -15.158 -9.184 -3.669) 18.099 6.116 ( 2.373 4.578 -0.762) 5.213 6.375 ( -8.980 -0.625 -3.605) 9.697 9.514 ( 12.263 -2.768 -3.682) 13.099 9.783 ( 4.055 -17.000 -6.378) 18.604 10.071 ( 17.268 11.779 3.883) 21.260 10.816 ( -9.805 0.380 -5.860) 11.428 11.037 ( -2.871 0.964 4.634) 5.536 11.398 ( -11.326 4.965 6.518) 13.979 17.944 ( 0.011 -1.388 4.433) 4.645 18.400 ( -16.138 3.900 18.352) 24.748 20.481 ( 0.414 1.735 -16.140) 16.238 20.868 ( 0.323 2.359 13.460) 13.669 23.059 ( 27.768 1.312 -2.029) 27.873 23.665 ( -9.728 -10.602 -14.199) 20.215 25.589 ( 1.311 6.786 7.157) 9.950 25.927 ( -10.899 -6.601 2.461) 12.977 28.101 ( 5.291 0.839 -2.256) 5.813 28.387 ( -6.247 -4.513 -3.931) 8.651 29.943 ( 3.422 5.020 -2.311) 6.500 30.218 ( -1.555 -2.711 0.046) 3.125 35.123 ( 13.146 5.126 -1.792) 14.223 35.814 ( -9.185 4.591 16.901) 19.776 37.186 ( -7.398 -0.813 -12.460) 14.513 37.353 ( -4.859 1.643 7.755) 9.298 40.853 ( 8.483 -0.854 -3.989) 9.413 40.999 ( 0.103 -3.111 -3.778) 4.895 ======================= Grid point 32 (24/189) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.530 ( -9.893 -6.198 -1.921) 11.831 4.696 ( 6.116 -1.700 5.524) 8.414 4.965 ( -18.828 -5.916 -8.599) 21.527 5.377 ( 7.683 13.413 9.360) 18.070 6.210 ( -4.374 -1.230 -1.034) 4.660 6.291 ( 7.519 7.422 2.944) 10.968 9.605 ( 4.669 -14.445 -7.328) 16.857 9.686 ( 10.396 -6.331 -4.329) 12.919 10.451 ( -19.310 -3.246 -3.001) 19.810 10.534 ( 13.823 9.190 3.734) 17.014 11.010 ( -6.948 9.674 -4.702) 12.805 11.386 ( -0.980 -0.418 11.952) 12.000 17.861 ( -8.470 -1.758 -3.665) 9.395 18.369 ( -7.525 5.823 20.354) 22.468 20.199 ( -9.151 -4.303 -26.101) 27.991 21.142 ( 7.623 5.964 20.703) 22.854 23.206 ( -7.105 -12.120 -16.686) 21.813 23.610 ( 20.418 4.440 2.909) 21.097 25.640 ( -9.425 -4.992 -0.340) 10.670 25.776 ( 2.357 4.056 5.452) 7.192 28.192 ( 0.801 -2.037 -3.094) 3.790 28.276 ( 4.567 0.363 0.878) 4.665 30.057 ( 4.767 4.430 -1.880) 6.773 30.157 ( -3.234 -1.778 2.547) 4.484 35.329 ( 6.979 0.645 -1.792) 7.234 35.755 ( -12.426 2.072 18.623) 22.483 36.785 ( -13.889 -2.030 -25.308) 28.940 37.593 ( 9.094 6.554 15.947) 19.492 40.915 ( 2.452 -2.921 -4.427) 5.843 40.989 ( 4.342 -0.413 -0.966) 4.468 ======================= Grid point 33 (25/189) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.088 ( -24.378 -10.145 -1.633) 26.455 4.450 ( -27.015 -5.516 -6.561) 28.342 4.899 ( 10.936 -1.314 0.078) 11.015 5.678 ( 6.446 11.149 3.335) 13.303 6.187 ( 1.243 -1.645 3.031) 3.666 6.518 ( 6.090 8.410 3.800) 11.057 9.436 ( -1.586 -12.087 -5.328) 13.304 9.817 ( 10.471 -4.202 -4.219) 12.046 10.053 ( -13.911 -4.356 -1.596) 14.664 10.728 ( -4.205 4.567 -4.065) 7.420 11.068 ( 6.750 8.974 0.676) 11.250 11.446 ( -0.835 -0.129 9.826) 9.862 17.610 ( -15.143 -1.656 -4.341) 15.840 18.474 ( -0.923 6.010 13.875) 15.149 19.850 ( -6.869 -6.201 -21.342) 23.262 21.423 ( 2.416 8.249 16.309) 18.435 22.806 ( -11.654 -13.234 -13.233) 22.047 24.042 ( 21.152 4.372 2.527) 21.746 25.405 ( -10.540 -3.709 -0.160) 11.175 25.923 ( 5.529 3.347 1.804) 6.711 28.150 ( 1.017 -1.667 0.160) 1.959 28.457 ( 10.833 1.593 0.349) 10.955 30.076 ( -2.728 -0.941 2.874) 4.073 30.196 ( 4.607 3.119 -0.780) 5.618 35.287 ( -9.663 -2.982 2.237) 10.358 35.722 ( -7.634 1.388 13.988) 15.995 36.437 ( -6.087 -0.163 -23.008) 23.800 37.919 ( 10.913 6.007 11.557) 16.992 40.878 ( 0.268 -2.921 -3.006) 4.200 41.072 ( 5.013 0.285 -0.228) 5.026 ======================= Grid point 34 (26/189) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.525 ( -30.663 -6.606 -1.713) 31.413 3.865 ( -33.054 -3.198 -3.749) 33.419 5.067 ( 11.352 -0.854 -0.637) 11.402 5.726 ( -17.970 2.373 0.025) 18.126 6.225 ( 7.125 -0.065 1.475) 7.277 6.723 ( 8.531 4.935 2.941) 10.285 9.318 ( -0.003 -2.421 -0.688) 2.517 9.749 ( -3.374 -5.738 -1.867) 6.913 10.067 ( 12.737 -1.281 -2.087) 12.970 10.588 ( -10.573 2.151 -3.656) 11.392 11.265 ( 6.767 2.748 1.326) 7.423 11.459 ( -3.973 1.053 4.792) 6.313 17.281 ( -18.094 -1.311 -4.528) 18.698 18.605 ( 2.338 4.110 6.614) 8.131 19.606 ( -2.786 -4.587 -11.655) 12.832 21.548 ( -8.560 7.909 9.672) 15.145 22.439 ( -7.423 -11.145 -8.083) 15.641 24.427 ( 18.601 2.579 1.687) 18.854 25.227 ( -7.645 -0.882 0.058) 7.696 26.038 ( 4.924 1.418 -0.061) 5.125 28.196 ( 4.059 -0.185 1.255) 4.253 28.636 ( 8.232 0.342 0.124) 8.240 30.065 ( 0.112 0.289 2.686) 2.703 30.301 ( 6.006 1.281 -0.792) 6.192 35.043 ( -17.439 -1.600 3.449) 17.849 35.619 ( -10.833 -1.432 4.473) 11.807 36.319 ( 3.359 1.341 -11.725) 12.270 38.207 ( 10.654 3.494 6.057) 12.744 40.838 ( -0.414 -1.920 -1.415) 2.421 41.156 ( 4.516 0.310 0.126) 4.528 ======================= Grid point 35 (27/189) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.915 ( -36.073 -0.000 0.000) 36.073 3.224 ( -39.134 -0.000 0.000) 39.134 5.043 ( -44.772 -0.000 0.000) 44.772 5.334 ( 7.359 0.000 -0.000) 7.359 6.469 ( 18.312 0.000 -0.000) 18.312 6.926 ( 10.625 0.000 -0.000) 10.625 9.356 ( 3.415 0.000 -0.000) 3.415 9.707 ( 3.044 0.000 -0.000) 3.044 10.261 ( 7.090 0.000 -0.000) 7.090 10.422 ( -4.436 -0.000 0.000) 4.436 11.358 ( 0.813 0.000 -0.000) 0.813 11.388 ( -5.180 -0.000 0.000) 5.180 16.941 ( -18.453 -0.000 0.000) 18.453 18.708 ( 5.071 0.000 -0.000) 5.071 19.529 ( 0.703 0.000 -0.000) 0.703 21.372 ( -19.037 -0.000 0.000) 19.037 22.286 ( -2.073 -0.000 0.000) 2.073 24.740 ( 16.027 0.000 -0.000) 16.027 25.122 ( -4.682 -0.000 0.000) 4.682 26.128 ( 5.101 0.000 -0.000) 5.101 28.267 ( 3.273 0.000 -0.000) 3.273 28.731 ( 2.675 0.000 -0.000) 2.675 30.120 ( 5.014 0.000 -0.000) 5.014 30.423 ( 8.035 0.000 -0.000) 8.035 34.725 ( -20.046 -0.000 0.000) 20.046 35.452 ( -8.410 -0.000 0.000) 8.410 36.362 ( 4.229 0.000 -0.000) 4.229 38.415 ( 9.320 0.000 -0.000) 9.320 40.812 ( -0.964 -0.000 0.000) 0.964 41.232 ( 4.119 0.000 -0.000) 4.119 ======================= Grid point 40 (28/189) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.301 ( -0.000 30.991 24.499) 39.505 3.322 ( -0.000 29.793 22.145) 37.122 5.082 ( -0.000 47.301 25.205) 53.597 5.440 ( 0.000 -11.780 -0.571) 11.794 6.227 ( 0.000 -12.203 -14.047) 18.607 6.980 ( 0.000 -13.471 -8.709) 16.041 9.305 ( 0.000 -0.805 -4.000) 4.081 9.680 ( 0.000 -2.719 -5.475) 6.113 10.079 ( 0.000 -16.363 -8.589) 18.480 10.271 ( -0.000 -2.831 11.455) 11.799 11.293 ( 0.000 1.963 -4.216) 4.651 11.785 ( -0.000 13.848 8.426) 16.209 17.865 ( -0.000 -9.934 34.289) 35.699 19.142 ( -0.000 2.626 13.726) 13.975 19.477 ( -0.000 -6.069 8.986) 10.843 21.191 ( -0.000 15.912 -3.068) 16.205 21.892 ( 0.000 -3.798 -11.582) 12.189 24.484 ( 0.000 -17.244 -9.984) 19.925 25.639 ( -0.000 5.662 13.608) 14.739 26.204 ( -0.000 -3.247 2.344) 4.005 28.231 ( 0.000 2.872 -6.277) 6.902 28.567 ( 0.000 1.056 -8.678) 8.742 30.094 ( 0.000 1.766 -12.661) 12.784 30.174 ( 0.000 -3.397 -3.410) 4.813 34.498 ( 0.000 7.583 -12.564) 14.675 35.225 ( -0.000 23.347 23.175) 32.896 37.273 ( -0.000 -12.547 18.220) 22.122 38.505 ( 0.000 -3.223 -6.409) 7.174 40.282 ( 0.000 1.311 -13.894) 13.956 41.148 ( 0.000 -4.676 -5.102) 6.921 ======================= Grid point 41 (29/189) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.678 ( -0.999 25.135 20.401) 32.388 3.845 ( 8.990 26.567 19.069) 33.916 5.299 ( -3.706 -8.896 1.704) 9.787 5.622 ( 5.966 13.656 7.977) 16.903 6.140 ( 1.068 11.854 -1.793) 12.036 6.746 ( -3.218 -14.141 -10.446) 17.873 9.266 ( -0.589 -1.799 -2.756) 3.344 9.595 ( -1.407 -1.495 -4.134) 4.616 9.865 ( 0.338 -15.889 -7.969) 17.778 10.412 ( 10.302 -2.769 9.238) 14.112 11.268 ( -2.322 2.021 -3.645) 4.771 11.915 ( -5.893 11.969 7.070) 15.098 17.940 ( -2.318 -6.637 22.730) 23.792 19.094 ( -14.838 3.687 15.236) 21.585 19.709 ( 16.767 -0.821 15.221) 22.660 21.281 ( -3.563 12.724 -9.112) 16.051 21.861 ( 11.104 -4.396 -10.164) 15.682 24.216 ( -3.447 -16.763 -11.597) 20.673 25.722 ( -6.326 6.007 12.701) 15.409 26.200 ( 1.080 -4.306 3.854) 5.879 28.182 ( -4.276 2.114 -6.258) 7.869 28.528 ( 1.622 -0.036 -8.143) 8.303 30.045 ( -1.350 -1.303 -5.601) 5.907 30.123 ( 1.551 -0.318 -5.608) 5.828 34.538 ( 5.268 6.044 -8.226) 11.487 35.628 ( 2.647 21.654 22.783) 31.544 37.242 ( -2.867 -8.803 14.797) 17.454 38.304 ( -13.338 -2.966 -9.372) 16.569 40.310 ( 10.851 -0.190 -11.067) 15.500 41.067 ( -0.044 -4.754 -5.332) 7.144 ======================= Grid point 42 (30/189) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.017 ( 1.891 19.083 15.635) 24.743 4.367 ( 11.799 21.600 14.492) 28.562 5.177 ( -4.308 -6.243 4.503) 8.821 5.646 ( 2.188 -9.350 -6.551) 11.625 6.271 ( -7.827 4.425 -1.290) 9.083 6.579 ( -1.098 3.587 -3.553) 5.167 9.240 ( 2.561 -2.105 -1.142) 3.507 9.618 ( 5.672 0.756 -2.668) 6.313 9.697 ( 3.131 -11.225 -5.610) 12.934 10.639 ( 12.327 -1.622 6.296) 13.936 11.205 ( -4.649 0.832 -2.150) 5.189 11.899 ( -12.719 9.037 5.053) 16.400 17.959 ( -1.729 -4.324 12.175) 13.036 18.981 ( -16.523 5.158 19.599) 26.148 20.112 ( 16.219 3.731 14.208) 21.882 21.161 ( -11.011 4.475 -12.431) 17.199 22.087 ( 25.012 -2.255 -8.049) 26.371 23.911 ( -5.182 -13.869 -12.773) 19.554 25.729 ( -7.581 5.895 10.427) 14.176 26.176 ( -2.674 -4.814 4.260) 6.962 28.076 ( -3.865 0.398 -5.373) 6.630 28.504 ( 0.338 -1.015 -6.046) 6.140 29.960 ( -3.756 1.037 -2.413) 4.584 30.149 ( 4.603 -1.079 -4.301) 6.392 34.690 ( 10.869 4.820 -4.817) 12.828 35.981 ( -1.083 16.725 21.871) 27.554 37.217 ( -1.731 -4.114 11.717) 12.539 37.919 ( -19.140 -2.857 -12.802) 23.204 40.462 ( 13.802 -1.091 -7.645) 15.816 40.991 ( 0.296 -4.246 -4.984) 6.554 ======================= Grid point 43 (31/189) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.311 ( 4.519 12.818 10.423) 17.128 4.821 ( 9.647 13.675 7.892) 18.503 5.072 ( -5.313 -3.402 6.780) 9.261 5.523 ( -3.409 -7.552 -5.254) 9.811 6.111 ( -1.019 -3.904 -4.823) 6.288 6.517 ( -11.018 3.421 -2.839) 11.881 9.300 ( 7.425 -2.605 -2.127) 8.151 9.530 ( 2.657 -13.499 -6.473) 15.205 9.925 ( 15.878 10.668 3.237) 19.401 10.842 ( 6.980 1.087 0.572) 7.087 11.102 ( -5.407 -2.357 2.290) 6.327 11.738 ( -17.107 5.999 3.240) 18.416 17.959 ( -0.711 -2.348 4.260) 4.916 18.877 ( -18.023 5.664 23.151) 29.881 20.400 ( 3.628 4.530 -7.752) 9.684 20.969 ( -3.922 -0.132 5.341) 6.627 22.507 ( 31.634 -1.987 -9.020) 32.955 23.621 ( -6.357 -9.465 -10.979) 15.829 25.732 ( -4.854 5.082 7.564) 10.325 26.052 ( -8.573 -5.296 2.952) 10.500 28.030 ( 1.572 0.577 -3.042) 3.473 28.419 ( -4.395 -2.606 -4.027) 6.506 29.943 ( 0.540 3.816 -1.147) 4.021 30.179 ( 2.616 -1.819 -1.718) 3.620 34.920 ( 13.710 3.387 -2.695) 14.377 36.162 ( -9.008 8.929 21.676) 25.114 37.228 ( -3.965 0.964 -5.244) 6.644 37.518 ( -12.486 -1.989 -2.023) 12.805 40.636 ( 12.336 -1.231 -5.078) 13.397 40.934 ( 0.767 -3.293 -3.943) 5.195 ======================= Grid point 44 (32/189) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.541 ( 4.788 6.023 4.649) 8.989 4.783 ( -12.295 -5.727 2.956) 13.882 5.125 ( -8.747 0.199 -4.734) 9.948 5.424 ( 4.867 5.482 7.111) 10.213 6.179 ( 10.059 -0.603 -1.452) 10.181 6.307 ( -9.256 0.929 -2.263) 9.574 9.362 ( 4.823 -7.966 -5.264) 10.698 9.451 ( 7.165 -6.275 -3.044) 9.999 10.355 ( 18.141 9.677 3.425) 20.844 10.748 ( -15.967 -0.748 -3.040) 16.271 11.116 ( 2.871 1.227 3.168) 4.448 11.531 ( -12.294 1.920 3.622) 12.960 17.929 ( -3.070 -0.986 -0.499) 3.263 18.781 ( -16.620 5.580 22.589) 28.594 20.176 ( -11.387 -2.846 -23.928) 26.652 21.168 ( 9.413 4.565 17.489) 20.379 22.905 ( 21.465 -6.347 -12.893) 25.831 23.431 ( 1.329 -1.776 -2.718) 3.509 25.735 ( -5.108 0.220 1.932) 5.466 25.870 ( -7.064 -1.251 3.961) 8.195 28.095 ( 5.942 0.940 -1.782) 6.275 28.283 ( -4.943 -2.420 -1.513) 5.708 30.019 ( 3.627 4.026 -0.723) 5.466 30.178 ( -0.047 -1.691 0.479) 1.758 35.160 ( 12.360 1.543 -1.586) 12.557 36.149 ( -14.681 3.121 22.376) 26.944 36.878 ( -17.225 -1.040 -24.357) 29.850 37.591 ( 7.263 3.601 11.038) 13.695 40.776 ( 8.253 -1.578 -3.756) 9.204 40.912 ( 2.415 -1.625 -1.903) 3.478 ======================= Grid point 45 (33/189) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.400 ( -20.338 -3.950 0.425) 20.723 4.740 ( 1.703 -0.599 -0.161) 1.812 4.790 ( -16.303 -1.624 -2.427) 16.563 5.680 ( 7.327 7.007 3.873) 10.852 6.147 ( 0.543 -2.669 -0.708) 2.814 6.456 ( 11.194 4.265 1.680) 12.096 9.290 ( 1.679 -7.076 -3.728) 8.172 9.573 ( 11.333 -1.902 -1.761) 11.626 10.365 ( -23.551 -1.601 -1.107) 23.631 10.701 ( 10.860 3.626 0.958) 11.490 11.132 ( -4.265 4.976 -1.041) 6.636 11.469 ( 0.840 -1.316 4.542) 4.803 17.806 ( -10.137 -0.517 -1.363) 10.241 18.715 ( -10.657 4.260 13.729) 17.895 19.817 ( -9.807 -3.995 -15.893) 19.098 21.473 ( 9.261 4.819 10.617) 14.890 22.814 ( -8.354 -7.393 -9.577) 14.703 23.698 ( 22.977 1.879 0.741) 23.066 25.554 ( -10.933 -2.481 -0.121) 11.212 25.892 ( 2.530 1.892 2.224) 3.863 28.130 ( -0.657 -1.002 -1.113) 1.635 28.299 ( 8.391 0.507 0.285) 8.411 30.096 ( 1.441 1.022 -0.334) 1.798 30.172 ( 0.741 0.320 1.020) 1.300 35.311 ( 4.385 -0.278 -0.691) 4.448 36.052 ( -14.956 1.244 20.577) 25.468 36.447 ( -12.909 -0.717 -22.513) 25.961 37.838 ( 10.463 3.013 6.091) 12.476 40.820 ( 2.146 -1.593 -2.188) 3.454 40.977 ( 5.898 -0.087 -0.375) 5.911 ======================= Grid point 46 (34/189) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.977 ( -26.466 -0.000 0.000) 26.466 4.345 ( -26.899 -0.000 0.000) 26.899 4.885 ( 8.985 0.000 -0.000) 8.985 5.818 ( 3.970 0.000 -0.000) 3.970 6.187 ( 2.451 0.000 -0.000) 2.451 6.636 ( 6.601 0.000 -0.000) 6.601 9.270 ( 1.755 0.000 -0.000) 1.755 9.745 ( 8.393 0.000 -0.000) 8.393 9.999 ( -13.834 -0.000 0.000) 13.834 10.748 ( -6.379 -0.000 0.000) 6.379 11.168 ( 5.878 0.000 -0.000) 5.878 11.505 ( 0.655 0.000 -0.000) 0.655 17.566 ( -16.599 -0.000 0.000) 16.599 18.661 ( -3.534 -0.000 0.000) 3.534 19.611 ( -5.798 -0.000 0.000) 5.798 21.662 ( 4.125 0.000 -0.000) 4.125 22.533 ( -13.592 -0.000 0.000) 13.592 24.101 ( 21.940 0.000 -0.000) 21.940 25.367 ( -9.508 -0.000 0.000) 9.508 25.969 ( 4.277 0.000 -0.000) 4.277 28.135 ( 2.572 0.000 -0.000) 2.572 28.473 ( 10.608 0.000 -0.000) 10.608 30.089 ( -1.450 -0.000 0.000) 1.450 30.223 ( 3.819 0.000 -0.000) 3.819 35.272 ( -8.394 -0.000 0.000) 8.394 35.866 ( -15.776 -0.000 0.000) 15.776 36.250 ( -0.767 -0.000 0.000) 0.767 38.058 ( 11.123 0.000 -0.000) 11.123 40.824 ( 0.421 0.000 -0.000) 0.421 41.073 ( 5.395 0.000 -0.000) 5.395 ======================= Grid point 53 (35/189) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.058 ( -0.000 20.594 15.499) 25.775 4.111 ( -0.000 23.109 18.767) 29.770 5.268 ( 0.000 -6.596 3.115) 7.295 5.574 ( 0.000 -8.580 -6.322) 10.657 6.432 ( -0.000 33.997 11.390) 35.854 6.533 ( 0.000 -17.402 -13.036) 21.743 9.240 ( 0.000 -1.691 -2.053) 2.660 9.542 ( 0.000 -4.970 -5.178) 7.177 9.686 ( 0.000 -12.109 -6.972) 13.973 10.338 ( -0.000 -3.624 9.341) 10.020 11.286 ( 0.000 2.108 -3.224) 3.852 12.124 ( -0.000 10.765 6.212) 12.429 18.015 ( -0.000 -6.309 14.531) 15.841 19.482 ( -0.000 9.666 20.653) 22.803 19.572 ( -0.000 -1.282 16.474) 16.523 21.355 ( 0.000 8.025 -9.901) 12.745 21.651 ( 0.000 -3.457 -14.158) 14.574 24.012 ( 0.000 -16.462 -10.168) 19.349 25.917 ( -0.000 5.011 12.612) 13.571 26.161 ( -0.000 -4.455 2.824) 5.275 28.227 ( 0.000 3.971 -5.020) 6.401 28.441 ( 0.000 -2.263 -8.479) 8.776 29.984 ( 0.000 -0.910 -5.823) 5.894 30.109 ( 0.000 0.447 -2.766) 2.802 34.486 ( 0.000 3.880 -6.965) 7.972 35.979 ( -0.000 22.115 23.758) 32.458 37.266 ( -0.000 -7.006 10.865) 12.928 38.340 ( 0.000 -4.176 -8.352) 9.338 40.136 ( 0.000 -0.053 -10.541) 10.541 40.985 ( 0.000 -4.812 -5.309) 7.165 ======================= Grid point 54 (36/189) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.296 ( -1.982 15.947 12.854) 20.578 4.487 ( 6.840 17.680 13.287) 23.149 5.224 ( -2.679 -3.069 5.780) 7.071 5.462 ( 2.974 -8.739 -7.355) 11.803 6.245 ( -3.221 -16.303 -12.967) 21.079 6.790 ( -3.681 24.509 7.561) 25.912 9.200 ( -0.869 -2.351 -0.996) 2.697 9.466 ( 1.698 -9.237 -5.496) 10.882 9.580 ( 3.626 -1.569 -2.810) 4.848 10.451 ( 9.982 -3.400 6.670) 12.477 11.266 ( -2.576 1.635 -2.302) 3.822 12.190 ( -7.429 8.099 4.547) 11.894 18.010 ( -1.891 -4.730 7.776) 9.296 19.440 ( -15.176 5.987 21.086) 26.660 19.982 ( 16.434 6.782 17.731) 25.109 21.268 ( -7.150 1.106 -12.961) 14.844 21.652 ( 14.271 -2.558 -13.347) 19.707 23.778 ( -2.860 -12.933 -9.160) 16.104 25.960 ( -6.739 3.089 8.927) 11.604 26.170 ( 1.714 -3.038 3.901) 5.233 28.148 ( -7.117 1.325 -4.838) 8.707 28.423 ( 3.885 -0.758 -5.845) 7.059 29.969 ( 1.885 -1.161 -2.746) 3.527 30.085 ( -0.953 1.416 -2.765) 3.250 34.540 ( 6.879 2.774 -4.578) 8.716 36.322 ( -1.329 18.421 22.168) 28.853 37.259 ( -0.815 -4.065 7.826) 8.856 38.108 ( -14.332 -4.397 -10.163) 18.112 40.180 ( 11.266 -0.651 -7.693) 13.658 40.912 ( 0.420 -4.108 -4.606) 6.186 ======================= Grid point 55 (37/189) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.471 ( -0.896 10.728 8.862) 13.944 4.835 ( 8.566 11.141 7.437) 15.900 5.185 ( -4.708 -0.885 7.761) 9.121 5.424 ( 3.536 -3.529 -5.006) 7.073 5.977 ( -0.207 -13.428 -10.795) 17.231 6.813 ( -15.799 9.486 1.125) 18.462 9.186 ( 2.667 -1.748 -0.720) 3.269 9.357 ( 0.805 -8.814 -4.458) 9.910 9.769 ( 14.429 6.417 1.207) 15.838 10.657 ( 13.155 -2.497 3.484) 13.835 11.197 ( -5.520 0.347 -0.902) 5.604 12.088 ( -14.571 4.979 2.656) 15.626 17.977 ( -1.499 -2.574 3.262) 4.417 19.372 ( -15.971 5.566 21.308) 27.204 20.355 ( 6.305 7.346 2.486) 9.995 21.060 ( -6.117 -2.457 -0.589) 6.618 21.889 ( 27.256 -3.717 -14.499) 31.096 23.566 ( -3.927 -7.527 -6.862) 10.916 25.910 ( -6.467 1.677 5.436) 8.613 26.149 ( -4.738 -2.151 3.174) 6.095 28.029 ( -3.402 0.295 -3.050) 4.578 28.424 ( -0.454 -0.702 -3.356) 3.458 29.970 ( -0.200 1.280 -0.376) 1.349 30.096 ( 3.160 -0.178 -2.289) 3.906 34.706 ( 12.121 1.892 -2.487) 12.517 36.537 ( -6.951 10.826 20.432) 24.145 37.265 ( -1.058 0.889 0.108) 1.386 37.709 ( -17.382 -4.512 -8.025) 19.669 40.361 ( 14.499 -0.926 -4.666) 15.260 40.865 ( 1.008 -2.827 -3.259) 4.430 ======================= Grid point 56 (38/189) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.586 ( 0.480 4.959 4.081) 6.440 4.944 ( -7.142 -1.011 2.169) 7.532 5.220 ( -1.066 4.277 2.096) 4.880 5.402 ( 2.169 -0.654 0.498) 2.319 5.934 ( 12.028 -5.011 -4.113) 13.664 6.546 ( -18.506 1.585 -1.144) 18.609 9.229 ( 3.311 -1.877 -1.589) 4.125 9.290 ( 3.394 -4.494 -1.911) 5.947 10.136 ( 18.659 5.531 1.721) 19.538 10.848 ( 6.225 -0.115 -0.206) 6.229 11.091 ( -4.158 -1.217 1.366) 4.543 11.846 ( -18.439 2.088 1.108) 18.590 17.953 ( -1.132 -0.803 0.653) 1.534 19.258 ( -17.584 3.900 16.227) 24.243 20.242 ( -13.203 -0.414 -14.652) 19.727 21.144 ( 7.742 2.100 11.175) 13.756 22.300 ( 32.914 -3.585 -9.417) 34.422 23.421 ( -3.396 -2.464 -2.872) 5.085 25.847 ( -5.568 0.518 2.118) 5.979 26.017 ( -9.231 -1.153 1.742) 9.465 28.017 ( 2.710 0.455 -1.049) 2.941 28.348 ( -5.127 -0.965 -1.417) 5.406 30.000 ( 1.927 2.026 0.025) 2.796 30.137 ( 2.966 -0.895 -0.656) 3.167 34.936 ( 14.024 0.909 -1.005) 14.090 36.558 ( -12.628 3.613 18.337) 22.556 37.044 ( -18.939 -0.048 -17.281) 25.638 37.561 ( 3.702 -0.005 4.692) 5.977 40.566 ( 12.604 -0.694 -2.213) 12.816 40.852 ( 1.720 -1.275 -1.482) 2.604 ======================= Grid point 57 (39/189) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.626 ( -2.518 -0.000 0.000) 2.518 4.753 ( -10.737 -0.000 0.000) 10.737 5.063 ( -14.780 -0.000 0.000) 14.780 5.573 ( 10.931 0.000 -0.000) 10.931 6.113 ( 6.947 0.000 -0.000) 6.947 6.333 ( -1.687 -0.000 0.000) 1.687 9.225 ( 0.750 0.000 -0.000) 0.750 9.385 ( 8.947 0.000 -0.000) 8.947 10.479 ( 17.062 0.000 -0.000) 17.062 10.721 ( -17.407 -0.000 0.000) 17.407 11.150 ( 5.824 0.000 -0.000) 5.824 11.570 ( -13.402 -0.000 0.000) 13.402 17.915 ( -3.783 -0.000 0.000) 3.783 19.035 ( -17.286 -0.000 0.000) 17.286 19.938 ( -13.485 -0.000 0.000) 13.485 21.357 ( 10.486 0.000 -0.000) 10.486 22.710 ( 16.509 0.000 -0.000) 16.509 23.414 ( 7.918 0.000 -0.000) 7.918 25.724 ( -9.922 -0.000 0.000) 9.922 25.907 ( -2.924 -0.000 0.000) 2.924 28.092 ( 5.036 0.000 -0.000) 5.036 28.251 ( -3.430 -0.000 0.000) 3.430 30.059 ( 3.173 0.000 -0.000) 3.173 30.164 ( 0.997 0.000 -0.000) 0.997 35.162 ( 11.836 0.000 -0.000) 11.836 36.419 ( -14.891 -0.000 0.000) 14.891 36.616 ( -19.526 -0.000 0.000) 19.526 37.704 ( 9.081 0.000 -0.000) 9.081 40.730 ( 7.440 0.000 -0.000) 7.440 40.886 ( 3.848 0.000 -0.000) 3.848 ======================= Grid point 66 (40/189) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.509 ( -0.000 10.217 7.777) 12.840 4.660 ( -0.000 13.256 10.757) 17.072 5.281 ( -0.000 1.443 7.370) 7.510 5.312 ( 0.000 -6.782 -5.454) 8.702 6.010 ( 0.000 -16.985 -14.263) 22.179 7.119 ( -0.000 20.728 6.649) 21.768 9.193 ( 0.000 -1.478 -0.274) 1.503 9.343 ( 0.000 -6.934 -3.993) 8.001 9.485 ( 0.000 -3.302 -3.165) 4.574 10.371 ( -0.000 -2.473 5.365) 5.908 11.291 ( 0.000 1.475 -1.663) 2.223 12.349 ( -0.000 5.790 3.225) 6.628 18.023 ( -0.000 -3.700 4.205) 5.601 19.779 ( -0.000 0.793 13.815) 13.837 20.012 ( -0.000 13.836 24.242) 27.913 21.222 ( 0.000 -3.502 -17.743) 18.085 21.429 ( 0.000 -2.207 -10.751) 10.975 23.643 ( 0.000 -9.520 -6.071) 11.291 26.110 ( 0.000 -3.185 1.466) 3.506 26.130 ( -0.000 2.976 7.853) 8.397 28.251 ( 0.000 2.997 -2.512) 3.911 28.296 ( 0.000 -2.514 -5.557) 6.099 29.914 ( 0.000 -1.042 -2.009) 2.263 30.104 ( 0.000 1.419 -1.568) 2.115 34.475 ( 0.000 1.593 -3.149) 3.529 36.637 ( -0.000 15.814 18.495) 24.335 37.271 ( -0.000 -3.082 5.283) 6.116 38.133 ( 0.000 -5.080 -9.117) 10.436 40.026 ( 0.000 -0.321 -5.827) 5.835 40.846 ( 0.000 -3.177 -3.506) 4.732 ======================= Grid point 67 (41/189) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.614 ( -0.850 5.281 4.222) 6.814 4.851 ( 4.467 6.668 5.048) 9.481 5.253 ( 1.030 -3.059 -0.129) 3.231 5.366 ( 0.177 5.512 6.169) 8.274 5.765 ( -0.071 -13.787 -12.111) 18.352 7.183 ( -13.576 8.568 2.213) 16.205 9.157 ( -1.087 -1.078 -0.127) 1.536 9.269 ( -0.131 -4.098 -2.193) 4.650 9.571 ( 12.670 0.869 -0.608) 12.715 10.457 ( 8.873 -1.634 2.504) 9.363 11.270 ( -2.915 0.675 -0.764) 3.088 12.337 ( -8.144 2.837 1.551) 8.762 17.999 ( -1.546 -1.757 1.664) 2.871 19.750 ( -10.592 2.271 10.965) 15.414 20.376 ( 6.502 9.701 13.272) 17.679 21.070 ( 0.363 -5.334 -8.473) 10.019 21.421 ( 10.505 -2.400 -10.896) 15.325 23.525 ( -2.024 -4.437 -3.174) 5.819 26.037 ( -5.133 -0.718 1.800) 5.487 26.203 ( -0.208 0.481 3.011) 3.056 28.112 ( -7.785 -0.045 -2.077) 8.058 28.369 ( 4.636 0.144 -1.909) 5.015 29.931 ( 3.412 -0.533 -0.641) 3.512 30.088 ( -1.784 0.914 -0.936) 2.212 34.536 ( 7.369 0.795 -1.455) 7.553 36.832 ( -3.545 8.365 12.168) 15.185 37.279 ( 0.512 -0.346 1.860) 1.960 37.900 ( -14.549 -3.892 -6.756) 16.506 40.101 ( 11.333 -0.337 -2.827) 11.685 40.810 ( 0.714 -1.657 -1.848) 2.582 ======================= Grid point 68 (42/189) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.636 ( -1.139 -0.000 0.000) 1.139 4.980 ( 3.722 0.000 -0.000) 3.722 5.256 ( 0.212 0.000 -0.000) 0.212 5.410 ( -2.537 -0.000 0.000) 2.537 5.696 ( 7.977 0.000 -0.000) 7.977 6.909 ( -21.594 -0.000 0.000) 21.594 9.165 ( 2.553 0.000 -0.000) 2.553 9.237 ( -0.076 -0.000 0.000) 0.076 9.853 ( 18.079 0.000 -0.000) 18.079 10.650 ( 13.168 0.000 -0.000) 13.168 11.195 ( -5.933 -0.000 0.000) 5.933 12.154 ( -15.193 -0.000 0.000) 15.193 17.970 ( -1.297 -0.000 0.000) 1.297 19.600 ( -13.781 -0.000 0.000) 13.781 20.412 ( -9.701 -0.000 0.000) 9.701 21.087 ( 4.451 0.000 -0.000) 4.451 21.698 ( 28.861 0.000 -0.000) 28.861 23.452 ( -2.917 -0.000 0.000) 2.917 25.950 ( -5.487 -0.000 0.000) 5.487 26.158 ( -6.307 -0.000 0.000) 6.307 28.012 ( -2.726 -0.000 0.000) 2.726 28.396 ( -0.958 -0.000 0.000) 0.958 29.983 ( 2.118 0.000 -0.000) 2.118 30.080 ( 1.682 0.000 -0.000) 1.682 34.708 ( 12.414 0.000 -0.000) 12.414 36.814 ( -7.980 -0.000 0.000) 7.980 37.257 ( -7.620 -0.000 0.000) 7.620 37.597 ( -10.768 -0.000 0.000) 10.768 40.320 ( 14.589 0.000 -0.000) 14.589 40.814 ( 1.326 0.000 -0.000) 1.326 ======================= Grid point 81 (43/189) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.656 ( -0.000 0.000 0.000) 0.000 4.866 ( -0.000 0.000 0.000) 0.000 5.210 ( -0.000 0.000 0.000) 0.000 5.470 ( -0.000 0.000 0.000) 0.000 5.613 ( -0.000 0.000 0.000) 0.000 7.367 ( -0.000 0.000 0.000) 0.000 9.177 ( -0.000 0.000 0.000) 0.000 9.244 ( -0.000 0.000 0.000) 0.000 9.433 ( -0.000 0.000 0.000) 0.000 10.380 ( -0.000 0.000 0.000) 0.000 11.296 ( -0.000 0.000 0.000) 0.000 12.426 ( -0.000 0.000 0.000) 0.000 18.010 ( -0.000 0.000 0.000) 0.000 19.885 ( -0.000 0.000 0.000) 0.000 20.447 ( -0.000 0.000 0.000) 0.000 20.931 ( -0.000 0.000 -0.000) 0.000 21.332 ( -0.000 0.000 0.000) 0.000 23.510 ( -0.000 0.000 -0.000) 0.000 26.086 ( -0.000 0.000 0.000) 0.000 26.212 ( -0.000 0.000 0.000) 0.000 28.231 ( -0.000 0.000 0.000) 0.000 28.267 ( -0.000 0.000 0.000) 0.000 29.892 ( -0.000 0.000 0.000) 0.000 30.110 ( -0.000 0.000 0.000) 0.000 34.470 ( -0.000 0.000 0.000) 0.000 36.947 ( -0.000 0.000 0.000) 0.000 37.275 ( -0.000 0.000 0.000) 0.000 37.993 ( -0.000 0.000 0.000) 0.000 39.985 ( -0.000 0.000 0.000) 0.000 40.790 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 162 (44/189) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -0.000 -0.000 50.985) 50.985 0.978 ( -0.000 -0.000 50.985) 50.985 1.522 ( -0.000 -0.000 78.489) 78.489 6.007 ( 0.000 0.000 -3.707) 3.707 7.337 ( 0.000 0.000 -9.145) 9.145 7.337 ( 0.000 0.000 -9.145) 9.145 9.368 ( 0.000 0.000 -3.982) 3.982 9.934 ( 0.000 0.000 5.409) 5.409 9.934 ( -0.000 0.000 5.409) 5.409 10.986 ( 0.000 0.000 0.431) 0.431 10.986 ( -0.000 0.000 0.431) 0.431 11.256 ( 0.000 0.000 -3.073) 3.073 19.143 ( -0.000 -0.000 1.671) 1.671 19.143 ( -0.000 -0.000 1.671) 1.671 20.336 ( 0.000 0.000 -2.059) 2.059 20.336 ( -0.000 0.000 -2.059) 2.059 23.520 ( -0.000 -0.000 1.981) 1.981 25.057 ( -0.000 -0.000 4.661) 4.661 25.057 ( -0.000 -0.000 4.661) 4.661 25.333 ( 0.000 0.000 -3.208) 3.208 28.529 ( 0.000 0.000 -6.951) 6.951 28.529 ( 0.000 0.000 -6.951) 6.951 28.747 ( -0.000 -0.000 3.647) 3.647 30.526 ( 0.000 0.000 -4.123) 4.123 33.917 ( -0.000 -0.000 10.043) 10.043 33.917 ( -0.000 -0.000 10.043) 10.043 38.682 ( 0.000 0.000 -6.981) 6.981 38.682 ( 0.000 0.000 -6.981) 6.981 39.866 ( -0.000 -0.000 3.079) 3.079 41.375 ( 0.000 0.000 -2.737) 2.737 ======================= Grid point 163 (45/189) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 22.247 12.844 38.623) 46.385 1.643 ( 23.168 13.376 41.945) 49.750 2.567 ( 43.909 25.351 57.113) 76.371 5.901 ( -6.882 -3.973 -4.201) 8.989 7.095 ( -8.696 -5.021 -14.976) 18.031 7.300 ( -3.931 -2.270 -7.103) 8.429 9.350 ( 0.882 0.509 -4.846) 4.952 9.815 ( -6.269 -3.619 0.610) 7.264 10.150 ( 8.074 4.661 11.157) 14.540 10.886 ( -2.986 -1.724 -5.114) 6.168 11.008 ( -3.465 -2.001 3.152) 5.094 11.303 ( 5.026 2.901 -1.847) 6.090 18.410 ( -53.407 -30.835 56.076) 83.352 19.070 ( -6.986 -4.033 1.930) 8.294 20.022 ( -9.982 -5.763 19.684) 22.811 20.345 ( 6.113 3.529 -6.626) 9.681 22.479 ( -21.743 -12.553 20.309) 32.292 25.008 ( -4.458 -2.574 0.757) 5.203 25.277 ( -3.178 -1.835 -1.320) 3.900 26.077 ( 23.334 13.472 -13.215) 30.010 28.269 ( -3.985 -2.301 -3.138) 5.570 28.497 ( 2.544 1.469 -9.507) 9.951 29.757 ( 43.454 25.088 -36.762) 62.202 30.435 ( -5.311 -3.066 -5.152) 8.009 33.976 ( 3.436 1.984 8.998) 9.833 34.376 ( 24.130 13.931 -1.013) 27.881 37.932 ( -38.259 -22.089 30.980) 53.957 38.549 ( -4.896 -2.827 -11.348) 12.678 40.323 ( 20.007 11.551 -16.377) 28.318 41.339 ( -1.382 -0.798 -3.572) 3.913 ======================= Grid point 164 (46/189) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 27.516 15.886 26.842) 41.593 2.456 ( 27.089 15.640 31.984) 44.737 3.941 ( 47.392 27.362 39.374) 67.416 5.669 ( -10.625 -6.134 -3.624) 12.793 6.791 ( -8.863 -5.117 -16.714) 19.598 7.080 ( -11.847 -6.840 -4.358) 14.357 9.328 ( -1.033 -0.597 -3.787) 3.970 9.694 ( -2.256 -1.303 -4.546) 5.240 10.406 ( 6.813 3.933 13.509) 15.632 10.793 ( -0.616 -0.356 -10.638) 10.662 10.918 ( -5.483 -3.165 3.844) 7.406 11.399 ( 2.736 1.580 0.783) 3.255 17.915 ( -24.132 -13.933 53.726) 60.522 18.877 ( -10.528 -6.079 1.762) 12.284 20.058 ( 0.252 0.145 18.564) 18.566 20.484 ( 10.012 5.780 -10.992) 15.952 22.403 ( 2.779 1.604 5.433) 6.309 24.843 ( -8.193 -4.730 -8.638) 12.810 25.206 ( -3.459 -1.997 5.139) 6.509 26.275 ( 2.211 1.277 0.806) 2.677 28.189 ( -1.080 -0.623 -6.763) 6.877 28.524 ( 5.146 2.971 -10.301) 11.892 30.190 ( 15.743 9.089 -22.008) 28.545 30.235 ( -8.819 -5.092 -5.747) 11.693 34.176 ( 9.186 5.304 7.802) 13.167 34.868 ( 19.408 11.205 0.897) 22.429 37.464 ( -22.269 -12.857 28.751) 38.573 38.317 ( -8.058 -4.652 -15.562) 18.132 40.567 ( 11.280 6.513 -11.790) 17.569 41.272 ( -2.197 -1.269 -4.221) 4.925 ======================= Grid point 165 (47/189) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( 27.089 15.640 18.368) 36.274 3.245 ( 26.523 15.313 24.375) 39.142 5.097 ( 34.289 19.797 25.663) 47.183 5.419 ( -9.128 -5.270 -1.815) 10.696 6.492 ( -8.451 -4.879 -15.419) 18.248 6.733 ( -16.357 -9.444 -2.470) 19.048 9.276 ( -0.541 -0.313 -0.227) 0.665 9.680 ( 4.262 2.461 -7.916) 9.321 10.560 ( -1.458 -0.842 8.332) 8.500 10.727 ( 2.122 1.225 -15.688) 15.878 10.879 ( -0.075 -0.043 10.959) 10.960 11.405 ( -3.346 -1.932 1.488) 4.140 17.858 ( -9.616 -5.552 41.022) 42.498 18.634 ( -11.696 -6.753 1.610) 13.601 20.238 ( 4.426 2.555 20.721) 21.342 20.612 ( 7.959 4.595 -15.815) 18.291 22.590 ( 11.011 6.357 1.900) 12.856 24.539 ( -11.519 -6.650 -15.106) 20.127 25.202 ( -0.462 -0.267 8.261) 8.278 26.263 ( -4.425 -2.555 5.156) 7.259 28.126 ( -0.457 -0.264 -7.186) 7.205 28.575 ( 4.182 2.415 -9.610) 10.755 29.998 ( -7.878 -4.548 -5.663) 10.715 30.305 ( 4.811 2.778 -10.376) 11.770 34.475 ( 12.786 7.382 6.914) 16.303 35.268 ( 13.928 8.041 6.091) 17.198 37.232 ( -13.498 -7.793 24.102) 28.702 37.990 ( -10.978 -6.338 -19.501) 23.259 40.721 ( 8.227 4.750 -8.039) 12.445 41.192 ( -2.292 -1.323 -4.636) 5.338 ======================= Grid point 166 (48/189) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.784 ( 24.957 14.409 11.363) 30.977 3.951 ( 23.728 13.699 18.340) 32.971 5.245 ( -6.257 -3.612 -0.221) 7.228 5.693 ( 4.786 2.763 11.640) 12.886 6.230 ( -6.499 -3.752 -11.107) 13.404 6.369 ( -12.065 -6.966 -0.980) 13.966 9.386 ( 10.280 5.935 2.318) 12.095 9.773 ( 8.166 4.714 -6.329) 11.356 10.473 ( -7.314 -4.223 2.756) 8.884 10.683 ( 3.603 2.080 -19.370) 19.812 11.003 ( -0.146 -0.084 14.422) 14.423 11.273 ( -8.068 -4.658 4.036) 10.153 17.943 ( -3.777 -2.181 31.139) 31.443 18.375 ( -12.116 -6.995 1.629) 14.085 20.509 ( 7.090 4.093 22.499) 23.942 20.615 ( 2.347 1.355 -20.931) 21.105 22.906 ( 15.617 9.017 1.718) 18.115 24.152 ( -12.995 -7.503 -18.303) 23.667 25.297 ( 4.182 2.414 8.527) 9.799 26.148 ( -8.640 -4.988 5.028) 11.172 28.093 ( 1.497 0.864 -4.953) 5.246 28.551 ( -1.812 -1.046 -8.442) 8.698 29.856 ( -1.114 -0.643 -4.526) 4.705 30.306 ( -0.515 -0.297 -3.592) 3.641 34.825 ( 14.006 8.087 6.653) 17.488 35.553 ( 6.306 3.641 9.126) 11.675 37.161 ( -5.283 -3.050 21.806) 22.643 37.582 ( -13.015 -7.514 -22.892) 27.384 40.843 ( 6.407 3.699 -5.531) 9.237 41.114 ( -1.871 -1.080 -4.875) 5.333 ======================= Grid point 167 (49/189) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.368 ( 21.585 12.462 4.339) 25.299 4.535 ( 18.736 10.817 12.429) 24.951 5.083 ( -8.491 -4.903 -0.725) 9.832 5.473 ( -22.014 -12.710 2.400) 25.532 6.105 ( 0.112 0.065 -3.028) 3.030 6.233 ( -2.930 -1.692 0.466) 3.415 9.675 ( 12.887 7.440 -6.565) 16.264 10.028 ( 16.316 9.420 4.540) 19.379 10.301 ( -8.767 -5.061 0.370) 10.129 10.638 ( 3.745 2.162 -20.985) 21.426 10.822 ( -17.663 -10.198 1.314) 20.438 11.284 ( 0.364 0.210 18.540) 18.544 18.067 ( -0.770 -0.445 23.873) 23.889 18.107 ( -12.479 -7.205 1.245) 14.463 20.455 ( -3.236 -1.869 -24.863) 25.142 20.823 ( 7.548 4.358 22.513) 24.141 23.301 ( 17.820 10.288 2.107) 20.685 23.734 ( -13.136 -7.584 -19.387) 24.616 25.489 ( 7.934 4.581 7.287) 11.706 25.938 ( -12.107 -6.990 3.271) 14.357 28.149 ( 5.469 3.157 -1.574) 6.508 28.402 ( -6.127 -3.537 -6.367) 9.518 29.888 ( 5.408 3.122 -3.281) 7.054 30.246 ( -3.740 -2.159 0.461) 4.343 35.175 ( 12.737 7.354 7.107) 16.335 35.643 ( -3.891 -2.246 10.035) 10.995 37.127 ( -13.205 -7.624 -25.311) 29.549 37.281 ( 3.850 2.223 20.703) 21.175 40.942 ( 5.075 2.930 -3.734) 6.949 41.046 ( -1.346 -0.777 -5.061) 5.294 ======================= Grid point 168 (50/189) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.572 ( -9.985 -5.765 -7.917) 13.987 4.869 ( -13.292 -7.674 -0.158) 15.350 4.966 ( -3.587 -2.071 5.640) 6.997 5.070 ( 13.655 7.884 5.314) 16.638 6.172 ( 4.077 2.354 3.200) 5.692 6.212 ( 1.601 0.924 3.235) 3.726 9.868 ( 10.467 6.043 -11.472) 16.664 10.037 ( -15.147 -8.745 -4.716) 18.114 10.414 ( -16.309 -9.416 3.618) 19.176 10.433 ( 10.897 6.292 -5.814) 13.862 10.643 ( 10.900 6.293 -7.867) 14.843 11.399 ( -1.767 -1.020 20.145) 20.248 17.822 ( -13.167 -7.602 -0.259) 15.206 18.211 ( 1.652 0.954 18.495) 18.593 20.183 ( -5.888 -3.400 -25.943) 26.819 21.108 ( 4.909 2.834 20.445) 21.216 23.322 ( -12.484 -7.208 -18.685) 23.600 23.723 ( 18.179 10.496 1.817) 21.070 25.660 ( -13.483 -7.785 2.533) 15.774 25.721 ( 8.552 4.938 4.753) 10.960 28.246 ( -4.152 -2.397 -2.754) 5.529 28.316 ( 9.090 5.248 0.568) 10.512 30.021 ( 7.465 4.310 -2.934) 9.106 30.153 ( -5.164 -2.982 3.171) 6.754 35.470 ( 8.496 4.905 7.825) 12.548 35.520 ( -12.045 -6.954 10.299) 17.307 36.691 ( -10.211 -5.895 -25.996) 28.545 37.568 ( 9.570 5.525 18.849) 21.849 40.987 ( -1.043 -0.602 -5.300) 5.435 41.028 ( 4.235 2.445 -2.393) 5.444 ======================= Grid point 169 (51/189) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.107 ( -23.607 -13.629 -6.504) 28.024 4.250 ( -29.865 -17.243 -0.906) 34.497 5.106 ( 4.743 2.739 0.063) 5.477 5.460 ( 13.601 7.853 1.627) 15.790 6.244 ( -0.434 -0.250 3.129) 3.168 6.378 ( 9.290 5.363 7.835) 13.284 9.597 ( -17.273 -9.973 -4.983) 20.558 10.029 ( 10.279 5.935 -11.396) 16.454 10.176 ( -8.679 -5.011 5.056) 11.225 10.411 ( 1.173 0.678 -20.338) 20.383 10.997 ( 14.232 8.217 4.337) 16.997 11.449 ( -4.994 -2.883 19.605) 20.436 17.502 ( -14.322 -8.269 -2.716) 16.759 18.376 ( 3.774 2.179 14.223) 14.876 19.894 ( -5.125 -2.959 -23.518) 24.251 21.276 ( -0.896 -0.517 16.661) 16.693 22.942 ( -11.048 -6.379 -16.510) 20.865 24.136 ( 17.546 10.130 0.413) 20.265 25.390 ( -11.674 -6.740 3.973) 14.053 25.916 ( 6.760 3.903 1.817) 8.014 28.198 ( 0.206 0.119 1.072) 1.098 28.537 ( 9.287 5.362 0.643) 10.743 30.072 ( -3.735 -2.156 4.977) 6.585 30.172 ( 7.526 4.345 -3.170) 9.250 35.255 ( -16.719 -9.653 10.491) 21.972 35.618 ( -0.029 -0.017 5.141) 5.141 36.386 ( -2.211 -1.277 -21.285) 21.438 37.917 ( 10.965 6.330 15.689) 20.160 40.929 ( -1.029 -0.594 -5.648) 5.771 41.107 ( 3.879 2.239 -1.423) 4.699 ======================= Grid point 170 (52/189) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.468 ( -29.848 -17.233 -3.101) 34.605 3.533 ( -33.245 -19.194 -0.409) 38.391 5.234 ( 7.808 4.508 -0.545) 9.032 5.420 ( -23.028 -13.295 -0.056) 26.590 6.323 ( 11.404 6.584 -2.655) 13.433 6.679 ( 11.568 6.679 9.040) 16.129 9.326 ( -4.379 -2.528 -0.054) 5.057 10.044 ( -6.069 -3.504 4.800) 8.494 10.156 ( 4.875 2.814 -11.964) 13.222 10.331 ( 5.268 3.041 -17.556) 18.579 11.265 ( 7.636 4.409 1.581) 8.958 11.423 ( -7.699 -4.445 17.842) 19.934 17.142 ( -15.459 -8.925 -3.948) 18.282 18.558 ( 5.308 3.065 10.451) 12.116 19.676 ( -2.160 -1.247 -18.333) 18.502 21.266 ( -8.025 -4.633 12.199) 15.319 22.620 ( -8.948 -5.166 -13.524) 17.020 24.513 ( 16.134 9.315 -2.383) 18.781 25.204 ( -7.660 -4.422 7.284) 11.458 26.055 ( 5.305 3.063 0.009) 6.126 28.246 ( 2.195 1.267 2.809) 3.784 28.705 ( 4.862 2.807 -0.113) 5.616 30.071 ( 1.150 0.664 5.139) 5.308 30.323 ( 7.784 4.494 -3.293) 9.573 34.917 ( -18.719 -10.807 10.642) 24.092 35.535 ( -5.940 -3.429 -4.452) 8.176 36.329 ( 3.905 2.255 -8.022) 9.202 38.241 ( 9.760 5.635 11.542) 16.132 40.868 ( -1.115 -0.644 -6.180) 6.313 41.186 ( 3.776 2.180 -0.856) 4.443 ======================= Grid point 171 (53/189) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( -34.980 -20.196 2.540) 40.471 2.745 ( -36.796 -21.244 2.415) 42.556 4.522 ( -52.100 -30.080 -0.304) 60.161 5.461 ( 11.938 6.893 0.122) 13.786 6.650 ( 17.763 10.256 -6.702) 21.578 6.989 ( 10.695 6.175 8.146) 14.794 9.349 ( 3.497 2.019 2.236) 4.616 9.964 ( -3.709 -2.141 5.875) 7.271 10.070 ( -2.405 -1.389 -13.811) 14.088 10.460 ( 11.369 6.564 -11.228) 17.274 11.335 ( -8.973 -5.180 14.879) 18.131 11.371 ( 1.907 1.101 -0.775) 2.335 16.778 ( -15.154 -8.749 1.574) 17.569 18.744 ( 6.170 3.562 6.984) 9.977 19.570 ( 1.272 0.735 -11.922) 12.012 21.083 ( -13.324 -7.692 8.253) 17.458 22.367 ( -6.666 -3.849 -10.468) 12.993 24.819 ( 12.803 7.392 -6.381) 16.102 25.140 ( -3.076 -1.776 11.273) 11.819 26.169 ( 5.007 2.891 -0.391) 5.795 28.303 ( 1.161 0.670 1.834) 2.272 28.748 ( -0.652 -0.376 -0.475) 0.890 30.185 ( 6.137 3.543 3.028) 7.707 30.484 ( 8.311 4.798 -4.018) 10.404 34.562 ( -18.331 -10.583 10.746) 23.738 35.358 ( -4.346 -2.509 -13.198) 14.119 36.403 ( 2.990 1.726 5.611) 6.588 38.494 ( 7.288 4.208 6.900) 10.882 40.801 ( -1.007 -0.581 -7.325) 7.417 41.264 ( 3.531 2.039 -0.757) 4.147 ======================= Grid point 172 (54/189) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -39.092 -22.570 10.314) 46.303 1.941 ( -38.426 -22.185 12.761) 46.169 3.199 ( -64.415 -37.190 7.554) 74.762 5.738 ( 11.708 6.760 -0.556) 13.530 6.990 ( 16.303 9.413 -9.897) 21.269 7.250 ( 8.171 4.717 5.424) 10.883 9.418 ( 1.148 0.663 -0.682) 1.491 9.930 ( -2.630 -1.518 -9.916) 10.371 9.959 ( -1.131 -0.653 8.664) 8.761 10.652 ( 10.811 6.242 -8.271) 14.975 11.218 ( -8.308 -4.797 10.618) 14.310 11.363 ( -1.370 -0.791 -1.861) 2.443 16.568 ( -8.028 -4.635 29.977) 31.378 18.921 ( 6.317 3.647 4.034) 8.335 19.575 ( 3.733 2.155 -5.168) 6.730 20.800 ( -14.762 -8.523 5.097) 17.791 22.189 ( -3.982 -2.299 -6.565) 8.015 24.988 ( 5.217 3.012 -3.739) 7.090 25.206 ( 2.795 1.614 7.821) 8.461 26.272 ( 4.215 2.434 -1.450) 5.079 28.315 ( -0.362 -0.209 -0.397) 0.577 28.693 ( -3.156 -1.822 -1.407) 3.907 30.355 ( 7.307 4.218 0.045) 8.437 30.616 ( 6.012 3.471 -12.016) 13.877 34.243 ( -15.548 -8.977 10.779) 20.941 35.132 ( -5.251 -3.032 -33.076) 33.628 36.582 ( 5.257 3.035 32.219) 32.786 38.655 ( 4.348 2.510 2.158) 5.465 40.724 ( -1.081 -0.624 -11.216) 11.285 41.331 ( 2.806 1.620 -1.130) 3.431 ======================= Grid point 175 (55/189) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -0.000 27.863 39.108) 48.018 1.909 ( -0.000 24.563 43.185) 49.682 2.892 ( -0.000 37.942 61.357) 72.141 5.878 ( 0.000 -7.078 -4.563) 8.421 6.952 ( 0.000 -14.789 -16.830) 22.404 7.291 ( 0.000 1.454 -10.138) 10.242 9.315 ( 0.000 0.860 -5.546) 5.613 9.856 ( 0.000 -6.645 2.618) 7.143 10.178 ( -0.000 5.588 11.392) 12.689 10.753 ( 0.000 -14.334 -4.172) 14.929 11.195 ( -0.000 12.001 4.686) 12.884 11.235 ( 0.000 2.331 -5.376) 5.860 18.705 ( -0.000 -43.648 33.539) 55.045 19.133 ( -0.000 -3.397 4.391) 5.552 19.888 ( 0.000 -22.570 10.668) 24.965 20.523 ( -0.000 15.344 -1.188) 15.390 22.488 ( 0.000 -43.072 19.662) 47.347 25.075 ( 0.000 -8.604 -1.169) 8.683 25.342 ( -0.000 5.403 4.992) 7.356 25.954 ( -0.000 30.783 -11.869) 32.992 28.241 ( 0.000 -4.149 -6.172) 7.437 28.473 ( 0.000 4.434 -10.039) 10.975 29.515 ( -0.000 42.893 -26.077) 50.197 30.408 ( 0.000 -4.657 -6.058) 7.641 34.149 ( -0.000 10.778 1.577) 10.893 34.299 ( -0.000 14.823 19.331) 24.360 38.032 ( 0.000 -34.936 13.212) 37.351 38.605 ( 0.000 0.756 -9.357) 9.388 40.157 ( 0.000 13.192 -10.726) 17.002 41.312 ( 0.000 -1.814 -4.450) 4.806 ======================= Grid point 176 (56/189) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 7.376 26.495 34.001) 43.732 2.550 ( 12.724 25.663 35.412) 45.547 3.900 ( 27.215 38.898 46.871) 66.713 5.715 ( -6.140 -8.846 -3.910) 11.456 6.666 ( -2.461 -14.752 -17.610) 23.104 7.164 ( -6.837 -2.742 -9.599) 12.100 9.298 ( 0.827 0.868 -5.268) 5.403 9.733 ( -6.437 -4.806 -0.105) 8.034 10.382 ( 8.337 2.062 12.872) 15.474 10.582 ( 1.592 -15.987 -6.523) 17.340 11.137 ( -7.913 7.150 -3.175) 11.127 11.399 ( 2.975 8.708 2.915) 9.653 18.389 ( -16.285 -28.145 41.533) 52.748 19.029 ( -10.463 -3.248 5.157) 12.109 19.897 ( 12.274 -13.797 9.941) 20.972 20.620 ( -5.365 19.911 -2.760) 20.805 22.289 ( 5.066 -19.132 7.588) 21.196 24.865 ( -7.743 -10.678 -7.395) 15.121 25.371 ( -7.505 7.469 8.163) 13.370 26.215 ( 7.634 6.783 -0.929) 10.254 28.161 ( -1.200 -0.234 -8.443) 8.531 28.446 ( 0.460 6.091 -11.670) 13.172 29.876 ( 16.670 19.566 -21.800) 33.704 30.271 ( -5.412 -5.264 -6.367) 9.876 34.237 ( 0.402 9.038 6.713) 11.265 34.739 ( 14.191 15.597 15.033) 25.897 37.727 ( -10.399 -22.615 15.692) 29.425 38.404 ( -13.552 1.491 -12.547) 18.529 40.322 ( 13.248 4.848 -10.800) 17.767 41.250 ( -0.976 -2.502 -5.183) 5.837 ======================= Grid point 177 (57/189) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.056 ( 13.805 21.292 26.220) 36.489 3.250 ( 16.802 24.350 27.235) 40.212 4.991 ( 27.954 30.186 31.717) 51.948 5.486 ( -7.642 -7.684 -2.216) 11.061 6.379 ( -2.576 -13.336 -15.505) 20.613 6.898 ( -12.517 -5.615 -7.945) 15.853 9.281 ( -0.383 -0.142 -2.125) 2.163 9.612 ( -1.151 -1.302 -3.896) 4.266 10.415 ( 3.771 -17.113 -8.587) 19.514 10.614 ( 7.047 0.607 10.508) 12.667 11.073 ( -5.919 8.295 -1.437) 10.291 11.493 ( -3.595 6.616 3.298) 8.220 18.204 ( -10.867 -15.237 37.683) 42.074 18.826 ( -13.743 -2.507 6.698) 15.493 20.095 ( 14.777 -7.569 9.803) 19.281 20.699 ( -5.479 19.173 -5.468) 20.677 22.360 ( 15.193 -8.700 1.287) 17.555 24.538 ( -9.798 -11.578 -13.638) 20.397 25.367 ( -7.667 7.468 9.758) 14.483 26.312 ( 0.153 -2.014 5.252) 5.627 28.088 ( -1.104 0.664 -8.860) 8.953 28.470 ( 3.806 5.290 -11.616) 13.319 30.047 ( -5.729 -4.055 -6.339) 9.458 30.138 ( 8.736 6.036 -12.831) 16.655 34.436 ( 7.560 7.715 7.939) 13.405 35.209 ( 12.068 14.008 15.328) 24.017 37.474 ( -10.103 -13.594 15.955) 23.269 38.062 ( -16.064 -0.280 -16.835) 23.272 40.517 ( 12.882 2.098 -9.082) 15.901 41.170 ( -1.304 -2.678 -5.716) 6.446 ======================= Grid point 178 (58/189) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.640 ( 16.889 15.515 18.339) 29.365 3.920 ( 17.171 22.214 19.936) 34.435 5.291 ( -5.315 -5.808 -0.124) 7.873 5.727 ( 10.582 13.202 16.401) 23.564 6.127 ( -2.293 -11.296 -10.906) 15.868 6.566 ( -14.117 -3.699 -6.064) 15.804 9.308 ( 4.897 2.111 0.674) 5.375 9.642 ( 6.777 2.622 -3.483) 8.058 10.263 ( 5.319 -18.057 -9.555) 21.110 10.719 ( -1.689 5.043 -1.522) 5.532 11.112 ( 0.308 3.607 8.430) 9.174 11.441 ( -10.430 3.892 3.124) 11.562 18.159 ( -5.131 -10.893 28.011) 30.489 18.616 ( -15.987 0.054 11.139) 19.485 20.327 ( 12.125 -2.552 0.293) 12.394 20.738 ( -4.821 12.749 0.141) 13.630 22.627 ( 21.651 -2.307 -0.597) 21.782 24.147 ( -10.973 -10.673 -18.556) 24.054 25.400 ( -3.957 7.149 10.282) 13.133 26.262 ( -6.007 -5.280 6.220) 10.132 28.038 ( 0.982 0.600 -6.856) 6.952 28.493 ( 1.573 1.960 -10.332) 10.633 29.874 ( -4.911 -1.098 -3.991) 6.422 30.238 ( 5.033 1.247 -6.705) 8.476 34.728 ( 12.173 6.312 8.340) 16.049 35.593 ( 6.041 11.011 16.330) 20.601 37.327 ( -5.648 -7.722 12.894) 16.056 37.651 ( -17.376 -1.822 -18.096) 25.154 40.683 ( 10.685 1.537 -7.055) 12.896 41.087 ( -1.055 -2.378 -6.072) 6.606 ======================= Grid point 179 (59/189) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.157 ( 17.957 10.125 11.108) 23.417 4.501 ( 14.471 18.974 12.818) 27.088 5.147 ( -6.273 -5.995 0.501) 8.692 5.698 ( -15.477 -12.233 1.783) 19.809 6.047 ( 2.814 0.137 -2.156) 3.548 6.343 ( -8.256 1.787 -2.481) 8.804 9.475 ( 11.111 2.929 -5.616) 12.790 9.878 ( 14.708 7.604 5.056) 17.312 10.119 ( 5.789 -17.800 -8.541) 20.574 10.669 ( -6.774 8.168 -10.285) 14.778 11.087 ( -14.806 -1.308 4.631) 15.568 11.385 ( -0.649 1.817 12.368) 12.518 18.128 ( -3.404 -10.788 14.156) 18.121 18.448 ( -16.199 3.499 19.909) 25.904 20.339 ( -1.570 0.343 -21.692) 21.751 20.888 ( 5.406 5.404 17.711) 19.290 23.016 ( 24.019 2.463 -1.384) 24.184 23.735 ( -11.516 -8.435 -20.748) 25.185 25.509 ( 1.577 6.422 9.342) 11.446 26.090 ( -10.749 -7.334 4.727) 13.845 28.064 ( 4.992 1.385 -3.345) 6.166 28.412 ( -3.746 -1.808 -8.194) 9.190 29.841 ( 1.779 3.498 -2.192) 4.495 30.254 ( 0.434 -1.193 -2.139) 2.487 35.059 ( 13.842 4.131 8.684) 16.854 35.806 ( -3.578 6.092 16.440) 17.893 37.132 ( -13.108 -5.402 -23.605) 27.535 37.401 ( -2.464 0.899 15.347) 15.569 40.820 ( 8.462 1.347 -5.351) 10.102 41.013 ( -0.568 -1.743 -6.302) 6.563 ======================= Grid point 180 (60/189) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.541 ( 9.042 3.004 1.589) 9.660 4.817 ( 0.926 -1.120 2.604) 2.982 5.036 ( -2.551 -0.273 3.662) 4.471 5.263 ( -16.889 -4.483 2.751) 17.689 6.152 ( 5.483 4.581 2.918) 7.718 6.243 ( -2.755 0.922 0.313) 2.922 9.637 ( 11.692 1.481 -10.182) 15.574 9.932 ( 3.342 -18.632 -9.175) 21.036 10.336 ( 13.179 10.065 5.672) 17.526 10.504 ( -8.603 0.050 -7.897) 11.678 10.800 ( -17.482 7.210 -0.652) 18.921 11.507 ( 1.765 -1.788 16.566) 16.756 17.973 ( -10.473 -8.705 5.338) 14.627 18.415 ( -8.493 3.450 23.426) 25.156 20.093 ( -6.505 -2.258 -25.728) 26.633 21.169 ( 6.883 4.297 18.429) 20.136 23.289 ( -4.876 -8.536 -19.944) 22.235 23.493 ( 16.520 7.175 -2.740) 18.218 25.677 ( 4.752 3.838 6.400) 8.847 25.837 ( -12.459 -7.093 4.358) 14.984 28.185 ( 7.774 1.117 -1.840) 8.066 28.279 ( -2.794 -1.006 -3.457) 4.558 29.942 ( 5.388 5.361 -1.807) 7.813 30.211 ( -2.733 -2.159 0.969) 3.615 35.358 ( 11.460 -0.517 8.441) 14.243 35.809 ( -12.247 2.962 16.573) 20.819 36.678 ( -13.746 -4.135 -26.656) 30.275 37.590 ( 7.159 4.446 16.416) 18.453 40.919 ( 4.624 -0.610 -5.475) 7.192 40.964 ( 1.810 0.812 -5.075) 5.449 ======================= Grid point 181 (61/189) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.316 ( -20.068 -11.544 -2.263) 23.262 4.594 ( -26.627 -12.708 -1.956) 29.568 4.956 ( 10.949 -3.764 2.289) 11.802 5.423 ( 7.151 15.967 2.853) 17.726 6.244 ( 3.165 -0.970 4.848) 5.870 6.373 ( 5.406 8.390 5.194) 11.251 9.668 ( -5.398 -14.945 -7.983) 17.783 9.804 ( 11.255 0.933 -10.482) 15.408 10.137 ( -10.255 -7.596 -7.250) 14.677 10.548 ( -10.023 9.911 -4.852) 14.907 10.883 ( 12.529 10.470 5.323) 17.174 11.591 ( -1.152 -3.953 16.597) 17.100 17.697 ( -15.822 -7.164 3.814) 17.782 18.492 ( -2.627 2.826 18.946) 19.335 19.800 ( -5.492 -3.435 -22.863) 23.763 21.400 ( 1.874 4.346 15.117) 15.841 22.918 ( -9.617 -8.734 -19.626) 23.536 23.904 ( 20.143 8.717 -2.546) 22.095 25.547 ( -11.633 -8.217 4.772) 15.020 25.869 ( 5.183 3.992 4.076) 7.708 28.183 ( 0.632 -1.779 -0.885) 2.085 28.410 ( 10.430 3.587 0.172) 11.031 30.075 ( 5.417 3.948 -2.204) 7.056 30.150 ( -3.003 -0.856 2.608) 4.068 35.441 ( -4.886 -9.133 8.205) 13.214 35.744 ( -9.528 4.682 11.496) 15.648 36.312 ( -6.027 -1.247 -19.916) 20.845 37.889 ( 10.306 5.279 13.495) 17.782 40.884 ( 0.176 -1.199 -7.246) 7.347 41.039 ( 5.050 2.074 -2.646) 6.067 ======================= Grid point 182 (62/189) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.768 ( -27.499 -15.843 1.537) 31.774 3.977 ( -32.009 -9.912 0.072) 33.508 5.092 ( 9.360 -1.764 -0.270) 9.529 5.641 ( -3.212 7.079 1.031) 7.842 6.255 ( -1.507 -2.178 3.111) 4.085 6.612 ( 9.790 8.106 4.493) 13.481 9.386 ( -6.808 -5.788 -2.868) 9.385 9.897 ( 2.630 -10.148 -6.057) 12.107 10.003 ( 10.446 2.208 -9.811) 14.500 10.421 ( -11.383 10.405 -6.787) 16.849 11.183 ( 9.286 5.376 2.734) 11.073 11.596 ( -4.759 -5.442 15.220) 16.849 17.361 ( -18.213 -6.701 4.282) 19.873 18.607 ( 0.969 2.136 13.545) 13.746 19.579 ( -2.382 -2.004 -15.939) 16.240 21.484 ( -7.172 4.253 10.769) 13.620 22.572 ( -6.702 -9.262 -16.460) 20.041 24.290 ( 17.940 8.755 -4.987) 20.576 25.341 ( -8.550 -6.405 7.960) 13.322 26.002 ( 4.685 2.626 1.572) 5.596 28.215 ( 3.514 -0.563 1.512) 3.867 28.609 ( 8.821 2.356 -0.873) 9.172 30.095 ( -0.764 -1.280 3.120) 3.458 30.222 ( 6.088 4.756 -3.185) 8.356 35.202 ( -16.457 -9.788 9.782) 21.501 35.602 ( -10.793 0.924 -9.345) 14.306 36.265 ( 4.159 1.666 2.726) 5.244 38.186 ( 10.423 3.839 9.155) 14.394 40.827 ( -0.406 -0.241 -7.794) 7.808 41.126 ( 4.603 1.988 -1.965) 5.385 ======================= Grid point 183 (63/189) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( -32.955 -16.621 6.267) 37.437 3.317 ( -37.393 -7.771 4.929) 38.509 5.165 ( -31.908 -9.940 4.075) 33.668 5.320 ( -0.282 1.152 0.635) 1.345 6.393 ( 15.278 5.277 -5.120) 16.955 6.890 ( 11.770 4.794 3.318) 13.135 9.334 ( 1.966 1.613 0.751) 2.652 9.804 ( 4.058 -10.149 -4.803) 11.939 10.177 ( 6.617 5.623 -6.286) 10.720 10.309 ( -4.316 8.270 -6.397) 11.311 11.330 ( 3.586 1.164 -0.635) 3.824 11.521 ( -7.498 -6.230 12.981) 16.234 17.035 ( -17.416 -5.587 11.151) 21.421 18.730 ( 3.926 0.295 8.082) 8.990 19.488 ( 0.627 1.560 -7.287) 7.479 21.364 ( -16.217 1.305 5.649) 17.222 22.321 ( -3.128 -6.064 -11.905) 13.722 24.613 ( 15.155 7.760 -7.904) 18.772 25.237 ( -4.140 -5.379 11.104) 13.015 26.109 ( 4.723 1.953 0.759) 5.167 28.279 ( 3.011 -0.654 0.775) 3.177 28.721 ( 3.336 0.652 -1.934) 3.911 30.129 ( 3.928 -0.216 1.728) 4.297 30.359 ( 7.521 4.383 -4.675) 9.881 34.858 ( -18.985 -9.949 8.895) 23.206 35.358 ( -9.285 2.537 -17.040) 19.571 36.420 ( 5.133 0.428 15.940) 16.751 38.420 ( 9.114 1.083 3.977) 10.003 40.767 ( -1.184 1.318 -8.649) 8.829 41.208 ( 4.257 1.721 -1.757) 4.916 ======================= Grid point 184 (64/189) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -36.806 -13.356 14.245) 41.665 2.629 ( -41.717 -6.385 12.580) 44.038 4.170 ( -64.680 -11.004 12.773) 66.841 5.550 ( 14.428 2.252 -0.841) 14.627 6.700 ( 18.299 6.073 -9.900) 21.674 7.127 ( 11.306 -0.174 1.416) 11.396 9.394 ( 2.074 0.575 -1.631) 2.701 9.783 ( 4.734 -4.728 -4.347) 7.979 10.156 ( -8.174 6.446 4.054) 11.172 10.463 ( 12.421 7.076 -7.616) 16.197 11.308 ( -3.609 -6.566 0.547) 7.513 11.422 ( -5.333 -1.836 6.543) 8.638 16.882 ( -8.699 -2.341 32.366) 33.597 18.848 ( 6.641 -2.123 3.869) 7.974 19.533 ( 2.506 6.184 0.628) 6.702 21.059 ( -19.185 -4.529 1.026) 19.739 22.194 ( -2.546 1.709 -6.537) 7.221 24.848 ( 11.159 5.262 -8.789) 15.148 25.222 ( -0.013 -5.831 11.129) 12.564 26.212 ( 4.619 1.523 0.340) 4.875 28.300 ( 0.886 -1.157 -1.720) 2.254 28.713 ( -1.991 -0.513 -3.355) 3.934 30.236 ( 8.046 -0.301 -1.109) 8.128 30.479 ( 5.649 3.831 -10.043) 12.143 34.493 ( -17.536 -10.829 6.899) 21.734 35.106 ( -11.588 5.821 -22.690) 26.134 36.670 ( 8.909 -0.365 29.671) 30.981 38.560 ( 7.269 -2.528 -1.558) 7.852 40.700 ( -2.700 3.770 -10.626) 11.594 41.278 ( 3.713 1.136 -2.035) 4.383 ======================= Grid point 188 (65/189) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( -0.000 28.953 29.929) 41.641 2.924 ( -0.000 26.420 36.090) 44.727 4.370 ( -0.000 43.042 42.894) 60.766 5.651 ( 0.000 -10.274 -2.857) 10.664 6.411 ( 0.000 -15.919 -18.359) 24.300 7.111 ( 0.000 -5.697 -12.382) 13.630 9.267 ( 0.000 1.253 -5.040) 5.193 9.747 ( 0.000 -6.317 0.398) 6.329 10.362 ( 0.000 -17.538 -6.868) 18.835 10.393 ( -0.000 -0.086 13.364) 13.364 11.204 ( 0.000 2.980 -7.352) 7.933 11.541 ( -0.000 15.409 5.972) 16.526 18.463 ( -0.000 -26.209 31.591) 41.047 19.185 ( -0.000 0.607 9.831) 9.850 19.703 ( -0.000 -10.799 10.087) 14.777 20.832 ( -0.000 17.882 -3.763) 18.273 22.063 ( 0.000 -20.050 4.010) 20.447 24.751 ( 0.000 -15.914 -8.728) 18.150 25.600 ( -0.000 7.190 12.660) 14.560 26.208 ( -0.000 6.310 0.400) 6.323 28.117 ( 0.000 2.386 -11.039) 11.294 28.436 ( 0.000 5.348 -11.647) 12.816 29.805 ( 0.000 18.579 -17.549) 25.557 30.227 ( 0.000 -4.792 -6.333) 7.941 34.328 ( -0.000 5.289 2.461) 5.833 34.942 ( -0.000 20.863 25.074) 32.618 37.661 ( 0.000 -18.296 7.054) 19.608 38.480 ( 0.000 0.006 -11.304) 11.304 40.172 ( 0.000 2.631 -8.150) 8.564 41.193 ( 0.000 -3.436 -5.926) 6.850 ======================= Grid point 189 (66/189) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.350 ( 1.185 24.353 28.281) 37.340 3.466 ( 7.989 25.716 27.897) 38.774 5.154 ( 14.158 35.494 30.490) 48.887 5.497 ( -4.295 -8.902 -0.947) 9.929 6.160 ( 0.523 -12.743 -15.938) 20.413 6.910 ( -5.129 -9.077 -12.587) 16.345 9.258 ( 0.759 0.643 -3.138) 3.291 9.634 ( -4.808 -4.478 -0.692) 6.607 10.147 ( 0.937 -17.843 -7.808) 19.499 10.545 ( 7.922 -2.387 12.534) 15.019 11.169 ( -2.122 4.267 -6.745) 8.258 11.697 ( -3.893 13.910 5.073) 15.309 18.368 ( -5.270 -19.345 26.437) 33.180 19.130 ( -13.508 2.101 13.933) 19.519 19.844 ( 14.271 -4.450 10.120) 18.052 20.935 ( -4.203 16.893 -6.046) 18.428 21.998 ( 11.504 -14.761 -0.190) 18.715 24.464 ( -6.609 -16.168 -12.080) 21.237 25.670 ( -8.390 7.912 12.659) 17.125 26.292 ( 3.267 -1.309 4.481) 5.698 28.067 ( -1.441 3.521 -10.876) 11.523 28.412 ( 0.822 5.251 -11.914) 13.046 29.935 ( 8.088 8.811 -12.087) 17.004 30.106 ( -4.494 -2.735 -5.921) 7.920 34.428 ( 4.788 3.520 5.034) 7.788 35.362 ( 5.113 20.496 24.630) 32.448 37.512 ( -3.479 -12.409 4.525) 13.658 38.263 ( -15.040 0.088 -12.248) 19.396 40.252 ( 11.719 0.207 -7.192) 13.751 41.114 ( -0.452 -3.762 -6.405) 7.442 ======================= Grid point 190 (67/189) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.771 ( 4.231 18.749 22.822) 29.837 4.028 ( 11.621 23.046 20.404) 32.901 5.319 ( -4.761 -6.142 0.719) 7.804 5.754 ( 8.185 3.580 6.425) 11.004 6.040 ( 0.664 6.549 -1.637) 6.783 6.633 ( -6.903 -8.573 -10.787) 15.411 9.262 ( 1.454 -0.687 -0.602) 1.717 9.574 ( 2.162 0.978 -0.038) 2.373 9.954 ( 2.978 -17.317 -8.824) 19.662 10.720 ( 5.914 -0.887 6.828) 9.076 11.153 ( 0.055 2.565 -1.349) 2.899 11.725 ( -10.508 10.919 3.454) 15.543 18.260 ( -4.736 -15.006 19.632) 25.160 19.016 ( -15.718 4.005 19.924) 25.692 20.123 ( 12.818 1.279 3.923) 13.466 20.944 ( -6.378 11.388 -4.533) 13.817 22.165 ( 22.710 -9.437 -2.332) 24.703 24.088 ( -9.168 -13.678 -16.230) 23.120 25.669 ( -9.199 7.753 11.777) 16.835 26.312 ( -1.396 -5.450 5.852) 8.118 28.003 ( -1.421 2.350 -8.566) 8.996 28.420 ( 2.352 3.998 -10.930) 11.873 29.935 ( -5.453 -0.566 -3.508) 6.509 30.098 ( 7.478 3.092 -7.672) 11.151 34.626 ( 10.419 2.258 7.063) 12.788 35.782 ( 3.375 17.659 23.377) 29.490 37.367 ( -4.163 -7.144 -0.134) 8.269 37.879 ( -19.443 -0.919 -10.336) 22.039 40.433 ( 13.824 -0.324 -6.351) 15.217 41.029 ( -0.361 -3.385 -6.616) 7.441 ======================= Grid point 191 (68/189) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.146 ( 7.086 12.903 16.270) 21.941 4.549 ( 11.960 19.144 13.119) 26.108 5.199 ( -5.209 -4.611 2.230) 7.306 5.703 ( -1.008 -13.351 -3.547) 13.850 6.087 ( -5.850 3.975 -1.055) 7.151 6.446 ( -5.298 0.307 -5.128) 7.379 9.308 ( 6.157 -0.395 -3.618) 7.152 9.731 ( 8.458 -2.698 -1.004) 8.935 9.825 ( 8.401 -6.320 -1.652) 10.642 10.775 ( -2.795 4.703 -4.495) 7.081 11.206 ( 2.478 -3.858 8.775) 9.901 11.611 ( -14.437 7.957 2.162) 16.626 18.163 ( -3.553 -12.038 13.620) 18.521 18.923 ( -17.259 4.957 24.275) 30.195 20.249 ( 0.525 3.410 -14.795) 15.192 20.968 ( 1.213 4.836 9.065) 10.346 22.527 ( 29.256 -4.531 -4.057) 29.882 23.703 ( -9.591 -8.976 -18.442) 22.642 25.678 ( -5.817 6.446 10.330) 13.494 26.205 ( -7.537 -7.509 4.545) 11.569 27.985 ( 2.436 1.634 -4.694) 5.536 28.394 ( -1.296 0.917 -9.069) 9.207 29.865 ( -1.704 3.198 -1.069) 3.778 30.183 ( 4.709 0.062 -3.939) 6.139 34.899 ( 13.800 0.701 8.271) 16.104 36.083 ( -3.288 12.549 21.952) 25.498 37.164 ( -10.873 -2.348 -18.920) 21.948 37.568 ( -9.292 -1.591 6.076) 11.216 40.617 ( 12.128 -0.045 -5.283) 13.229 40.956 ( 0.036 -2.382 -6.565) 6.984 ======================= Grid point 192 (69/189) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.461 ( 8.172 7.011 9.651) 14.460 4.865 ( -1.767 3.347 1.807) 4.195 5.104 ( -2.224 0.171 5.504) 5.938 5.452 ( -10.478 -7.809 -0.053) 13.068 6.115 ( 5.995 5.193 0.694) 7.962 6.303 ( -6.448 -1.774 -4.065) 7.826 9.403 ( 9.240 -0.647 -6.994) 11.606 9.628 ( 4.019 -15.034 -9.340) 18.149 10.202 ( 18.059 9.666 9.395) 22.535 10.664 ( -10.910 4.556 -8.980) 14.846 11.153 ( -13.602 0.940 5.600) 14.740 11.535 ( -0.501 -0.365 7.848) 7.873 18.063 ( -5.314 -9.290 9.741) 14.471 18.834 ( -16.618 4.235 24.542) 29.940 20.047 ( -8.512 -0.039 -23.825) 25.300 21.186 ( 8.197 4.116 14.163) 16.873 22.943 ( 24.414 -4.602 -8.935) 26.401 23.393 ( -4.774 -0.633 -14.140) 14.937 25.728 ( -1.374 3.569 7.434) 8.360 25.990 ( -10.793 -7.667 3.885) 13.797 28.060 ( 6.437 1.531 -1.878) 6.878 28.295 ( -3.577 -0.890 -5.533) 6.648 29.920 ( 2.810 5.434 -0.169) 6.120 30.208 ( 1.066 -1.296 -1.175) 2.049 35.188 ( 13.554 -1.739 8.806) 16.257 36.181 ( -11.545 6.848 20.129) 24.195 36.741 ( -16.727 -1.572 -25.774) 30.766 37.611 ( 4.578 1.836 11.551) 12.560 40.767 ( 8.891 -0.190 -4.609) 10.016 40.907 ( 1.046 -0.496 -5.958) 6.070 ======================= Grid point 193 (70/189) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.527 ( -14.015 -5.539 1.411) 15.136 4.783 ( 3.736 -2.880 2.827) 5.500 4.872 ( -18.302 -9.067 -0.355) 20.428 5.500 ( 4.198 12.681 3.381) 13.779 6.195 ( 1.447 -1.584 -1.224) 2.470 6.361 ( 9.702 6.184 4.793) 12.464 9.453 ( 4.274 -11.918 -8.137) 15.051 9.562 ( 9.441 -1.196 -7.931) 12.388 10.352 ( -19.607 0.446 -7.033) 20.835 10.625 ( 11.190 5.705 5.412) 13.676 10.979 ( -10.317 9.563 0.480) 14.076 11.607 ( 3.539 -6.168 11.320) 13.369 17.902 ( -11.303 -6.970 7.757) 15.378 18.761 ( -11.436 1.675 18.588) 21.889 19.752 ( -8.017 -0.956 -18.429) 20.120 21.448 ( 7.684 4.371 10.335) 13.600 22.873 ( -7.537 -7.001 -17.269) 20.101 23.592 ( 22.142 6.786 -4.195) 23.536 25.673 ( -9.293 -7.355 3.713) 12.419 25.880 ( 0.463 1.637 5.297) 5.563 28.137 ( 1.642 -0.981 -2.551) 3.189 28.284 ( 6.714 1.434 0.102) 6.866 30.030 ( 3.794 4.803 -0.973) 6.198 30.188 ( -1.245 -1.221 0.583) 1.838 35.392 ( 6.546 -5.234 8.016) 11.597 36.096 ( -16.094 3.278 6.964) 17.840 36.338 ( -11.427 0.273 -11.457) 16.184 37.831 ( 9.685 2.641 8.824) 13.366 40.816 ( 1.857 -0.709 -6.011) 6.331 40.946 ( 5.730 1.902 -3.373) 6.916 ======================= Grid point 194 (71/189) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.101 ( -24.692 -10.336 2.899) 26.925 4.399 ( -26.064 -5.344 1.401) 26.643 4.914 ( 8.562 -2.515 1.535) 9.055 5.697 ( 4.487 10.374 -1.343) 11.382 6.251 ( 4.061 -3.801 3.273) 6.454 6.581 ( 5.688 5.775 2.781) 8.570 9.334 ( 0.717 -8.031 -5.137) 9.561 9.713 ( 11.232 1.564 -6.475) 13.059 9.981 ( -15.328 -0.674 -5.263) 16.220 10.671 ( -9.540 6.964 -2.212) 12.017 11.096 ( 8.298 5.709 2.220) 10.314 11.647 ( 0.781 -8.154 10.771) 13.532 17.645 ( -16.863 -5.384 7.574) 19.254 18.713 ( -3.945 -2.478 8.471) 9.668 19.566 ( -5.485 2.549 -5.345) 8.072 21.634 ( 2.863 3.790 4.507) 6.548 22.543 ( -11.562 -4.577 -13.101) 18.062 24.004 ( 20.991 6.919 -5.862) 22.866 25.466 ( -8.947 -7.101 6.305) 13.047 25.965 ( 3.696 1.230 2.562) 4.662 28.147 ( 3.091 -1.250 -0.443) 3.363 28.460 ( 10.211 1.514 0.045) 10.322 30.094 ( 0.578 -0.041 -1.146) 1.284 30.187 ( 1.707 2.559 -0.156) 3.080 35.361 ( -7.740 -6.920 3.903) 11.092 35.796 ( -15.070 1.157 -12.270) 19.468 36.289 ( -0.906 2.013 14.752) 14.916 38.068 ( 11.023 0.438 4.024) 11.743 40.791 ( -0.077 1.279 -6.038) 6.173 41.045 ( 5.505 1.933 -2.463) 6.333 ======================= Grid point 195 (72/189) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.572 ( -29.663 -8.322 6.373) 31.460 3.893 ( -32.023 -2.653 6.644) 32.813 5.070 ( 11.058 -0.636 1.028) 11.124 5.740 ( -14.199 1.780 1.018) 14.347 6.233 ( 1.856 -2.214 -0.169) 2.894 6.742 ( 9.227 1.929 -1.232) 9.507 9.297 ( 2.350 -0.607 -1.519) 2.863 9.712 ( -4.224 -1.804 -1.792) 4.930 9.975 ( 12.656 5.750 -7.048) 15.585 10.542 ( -11.341 6.955 -1.084) 13.348 11.257 ( 5.690 0.833 -1.067) 5.849 11.605 ( -2.893 -9.424 9.049) 13.381 17.362 ( -17.052 -3.790 12.295) 21.361 18.687 ( 2.220 -5.987 1.621) 6.588 19.543 ( -3.506 7.227 5.931) 9.985 21.616 ( -8.179 -2.187 -3.356) 9.107 22.297 ( -7.140 2.910 -5.921) 9.721 24.350 ( 17.673 5.934 -8.645) 20.550 25.324 ( -5.809 -6.551 8.990) 12.549 26.054 ( 4.392 0.434 1.686) 4.724 28.200 ( 4.446 -1.390 -0.831) 4.732 28.625 ( 7.532 1.007 -1.179) 7.690 30.076 ( 0.904 -2.024 -1.611) 2.740 30.273 ( 4.802 3.497 -2.013) 6.272 35.087 ( -15.767 -6.542 -2.151) 17.205 35.517 ( -12.986 3.079 -7.159) 15.145 36.445 ( 4.299 -0.315 20.086) 20.543 38.249 ( 10.687 -3.132 -1.750) 11.273 40.766 ( -1.245 3.775 -5.973) 7.174 41.135 ( 4.730 1.603 -2.257) 5.481 ======================= Grid point 196 (73/189) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( -32.908 -2.521 12.498) 35.291 3.347 ( -37.304 -0.820 12.334) 39.298 5.145 ( -35.335 -0.792 9.865) 36.695 5.343 ( 1.621 -0.103 1.381) 2.132 6.392 ( 15.972 3.052 -7.682) 17.984 6.899 ( 11.593 -4.392 -3.038) 12.764 9.327 ( 2.582 -1.598 -2.438) 3.894 9.693 ( 1.572 3.104 -2.065) 4.046 10.232 ( 12.461 7.372 -3.639) 14.929 10.438 ( -8.062 6.808 2.920) 10.948 11.277 ( -0.458 -3.871 -4.049) 5.620 11.500 ( -3.710 -8.601 7.053) 11.726 17.209 ( -10.142 -1.570 25.774) 27.742 18.699 ( 6.514 -7.360 -0.041) 9.829 19.646 ( -1.506 10.520 11.400) 15.586 21.295 ( -16.421 -9.143 -7.701) 20.312 22.274 ( -3.657 12.128 -1.384) 12.742 24.609 ( 14.623 3.687 -11.106) 18.729 25.244 ( -2.909 -7.699 10.111) 13.037 26.148 ( 4.958 0.027 2.190) 5.420 28.237 ( 2.834 -1.646 -3.138) 4.538 28.699 ( 1.528 0.687 -3.480) 3.862 30.087 ( 5.293 -2.835 -3.268) 6.836 30.374 ( 5.096 3.131 -4.955) 7.767 34.716 ( -17.815 -6.060 -2.953) 19.048 35.306 ( -13.283 6.314 -5.667) 15.762 36.677 ( 8.117 -2.392 25.307) 26.684 38.342 ( 9.477 -6.688 -7.529) 13.828 40.744 ( -2.692 6.370 -6.661) 9.602 41.207 ( 4.066 0.909 -2.548) 4.884 ======================= Grid point 201 (74/189) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.746 ( -0.000 23.035 21.963) 31.827 3.820 ( -0.000 21.932 29.369) 36.655 5.441 ( 0.000 -9.017 0.825) 9.055 5.522 ( -0.000 22.438 15.511) 27.278 5.991 ( 0.000 3.642 -7.159) 8.033 6.752 ( 0.000 -12.987 -14.692) 19.609 9.243 ( 0.000 0.615 -1.475) 1.598 9.622 ( 0.000 -6.097 -0.897) 6.163 9.927 ( 0.000 -16.670 -7.445) 18.257 10.511 ( -0.000 -5.083 13.444) 14.372 11.178 ( 0.000 4.631 -8.130) 9.357 11.909 ( -0.000 14.505 4.530) 15.196 18.372 ( -0.000 -17.739 19.630) 26.458 19.430 ( -0.000 7.596 16.502) 18.166 19.716 ( -0.000 -3.360 12.982) 13.410 21.075 ( 0.000 13.927 -9.019) 16.592 21.747 ( 0.000 -13.611 -1.942) 13.749 24.278 ( 0.000 -17.782 -11.908) 21.401 25.901 ( -0.000 5.537 13.918) 14.979 26.263 ( -0.000 -2.907 3.766) 4.757 28.065 ( 0.000 6.898 -11.070) 13.044 28.371 ( 0.000 2.943 -11.731) 12.094 29.879 ( 0.000 7.542 -9.459) 12.097 30.092 ( 0.000 -1.233 -4.988) 5.138 34.434 ( -0.000 0.649 5.567) 5.604 35.703 ( -0.000 22.126 26.796) 34.750 37.448 ( 0.000 -8.352 -0.448) 8.364 38.320 ( 0.000 -0.676 -12.991) 13.009 40.100 ( 0.000 -1.188 -4.371) 4.529 41.036 ( 0.000 -4.188 -6.661) 7.868 ======================= Grid point 202 (75/189) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.075 ( -0.444 17.536 20.204) 26.756 4.230 ( 4.945 19.453 21.714) 29.570 5.341 ( -3.350 -5.605 2.245) 6.905 5.591 ( 3.937 -9.085 -8.600) 13.115 6.243 ( -0.522 25.491 8.338) 26.826 6.513 ( -0.355 -11.222 -12.871) 17.080 9.242 ( -0.205 -1.165 1.008) 1.554 9.552 ( 0.417 -3.382 -0.338) 3.424 9.724 ( -0.056 -14.356 -6.736) 15.858 10.613 ( 7.945 -5.902 11.223) 14.964 11.168 ( -0.807 4.694 -6.844) 8.339 12.012 ( -6.575 12.270 3.001) 14.241 18.288 ( -3.138 -15.241 15.239) 21.780 19.450 ( -13.887 6.534 20.519) 25.623 19.966 ( 13.521 3.836 9.141) 16.766 21.092 ( -3.909 9.065 -10.211) 14.203 21.723 ( 13.464 -11.173 -2.654) 17.697 23.981 ( -5.699 -15.158 -13.347) 20.985 25.956 ( -7.685 4.367 11.903) 14.826 26.280 ( 2.412 -5.147 4.299) 7.127 28.033 ( -3.826 5.790 -8.999) 11.364 28.347 ( 2.578 3.154 -10.711) 11.459 29.934 ( 4.289 2.997 -5.579) 7.649 30.031 ( -2.448 1.481 -4.084) 4.987 34.528 ( 6.549 -0.819 7.258) 9.810 36.092 ( 0.971 20.010 25.435) 32.377 37.351 ( -2.378 -4.299 -4.416) 6.605 38.096 ( -14.078 -1.517 -11.909) 18.502 40.168 ( 11.142 -1.664 -3.195) 11.710 40.954 ( 0.046 -3.749 -6.505) 7.508 ======================= Grid point 203 (76/189) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.331 ( -0.083 12.046 16.850) 20.713 4.632 ( 8.353 15.886 13.403) 22.400 5.263 ( -4.055 -2.090 3.421) 5.702 5.516 ( 4.489 -9.708 -5.969) 12.249 6.153 ( -5.379 -9.799 -9.712) 14.808 6.555 ( -5.231 13.789 -0.853) 14.772 9.223 ( 0.800 -2.325 -0.445) 2.498 9.528 ( 1.983 -11.798 -6.555) 13.641 9.692 ( 9.739 3.326 5.399) 11.621 10.759 ( 6.686 -2.592 4.742) 8.597 11.165 ( 0.857 0.569 -1.201) 1.581 11.957 ( -13.667 9.242 0.978) 16.527 18.183 ( -3.126 -12.580 12.726) 18.165 19.401 ( -14.951 5.400 21.799) 26.979 20.206 ( 3.114 7.009 -4.534) 8.909 21.045 ( -1.642 3.657 -0.994) 4.130 21.946 ( 26.251 -8.750 -4.062) 27.968 23.656 ( -7.442 -8.906 -14.324) 18.436 25.917 ( -8.197 2.846 9.360) 12.763 26.251 ( -3.027 -6.086 3.305) 7.558 27.971 ( -1.993 3.159 -5.239) 6.434 28.359 ( 1.230 3.155 -8.973) 9.590 29.933 ( -2.818 2.281 -0.439) 3.652 30.066 ( 5.825 1.481 -4.209) 7.338 34.725 ( 11.861 -1.840 8.632) 14.785 36.414 ( -2.390 14.991 22.453) 27.103 37.208 ( -7.147 0.440 -13.424) 15.214 37.752 ( -14.106 -3.376 -3.844) 15.005 40.358 ( 14.004 -1.086 -2.812) 14.324 40.887 ( 0.426 -2.474 -5.982) 6.487 ======================= Grid point 204 (77/189) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.525 ( 1.414 6.639 11.826) 13.636 4.932 ( 2.431 6.733 3.946) 8.174 5.192 ( -4.253 -0.097 5.143) 6.675 5.457 ( -0.051 -6.488 -1.993) 6.787 6.011 ( 5.888 -4.740 -4.576) 8.836 6.446 ( -13.561 4.855 -5.100) 15.280 9.242 ( 4.638 -1.080 -3.197) 5.735 9.405 ( 1.919 -10.025 -6.499) 12.100 10.042 ( 17.364 6.992 8.865) 20.712 10.800 ( -3.660 4.183 -4.942) 7.437 11.207 ( 4.808 -6.972 8.156) 11.758 11.761 ( -17.167 6.216 -1.029) 18.287 18.103 ( -2.640 -9.990 11.565) 15.509 19.301 ( -16.747 2.468 16.720) 23.793 20.109 ( -11.304 4.421 -13.661) 18.274 21.152 ( 7.315 2.752 5.553) 9.587 22.356 ( 31.771 -6.306 -3.435) 32.573 23.398 ( -6.350 -0.979 -12.836) 14.354 25.867 ( -5.914 0.955 6.652) 8.952 26.101 ( -8.529 -6.316 1.881) 10.778 27.985 ( 3.080 2.093 -1.370) 3.968 28.315 ( -2.999 1.551 -6.631) 7.442 29.945 ( 0.403 4.013 1.153) 4.195 30.141 ( 4.288 -0.269 -2.331) 4.889 34.985 ( 14.153 -3.034 9.556) 17.345 36.545 ( -9.353 7.138 12.242) 16.980 36.905 ( -17.745 3.157 -15.287) 23.634 37.614 ( 0.757 -1.917 4.331) 4.796 40.561 ( 12.241 -0.268 -2.284) 12.455 40.848 ( 1.007 -0.548 -5.178) 5.303 ======================= Grid point 205 (78/189) ======================= q-point: (-0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.644 ( -0.033 0.579 6.020) 6.048 4.821 ( -10.782 -5.190 0.716) 11.987 5.084 ( -13.152 -2.815 0.903) 13.480 5.518 ( 7.586 5.692 2.082) 9.710 6.149 ( 6.840 -2.913 -1.324) 7.552 6.268 ( -0.562 4.485 -1.901) 4.904 9.269 ( 2.463 -5.067 -4.196) 7.025 9.369 ( 7.059 -0.900 -5.066) 8.736 10.452 ( 16.650 4.435 6.443) 18.396 10.647 ( -14.630 4.282 -6.738) 16.667 11.232 ( -4.802 -2.129 7.307) 8.999 11.567 ( -5.093 -1.470 0.579) 5.333 18.028 ( -5.036 -7.678 10.934) 14.278 19.071 ( -16.238 -3.298 1.154) 16.610 19.880 ( -13.175 5.419 -0.374) 14.251 21.348 ( 10.667 0.776 -0.565) 10.710 22.731 ( 14.296 -3.031 -2.981) 14.915 23.328 ( 7.633 5.464 -8.327) 12.548 25.784 ( -7.947 -4.099 3.380) 9.560 25.936 ( -4.374 -2.487 2.539) 5.636 28.078 ( 4.829 1.501 0.141) 5.059 28.238 ( -1.759 0.437 -3.095) 3.587 30.021 ( 2.525 3.807 0.760) 4.631 30.173 ( 1.521 -0.892 -1.144) 2.102 35.240 ( 12.108 -4.536 9.960) 16.321 36.317 ( -16.047 1.105 -22.406) 27.582 36.651 ( -16.854 4.127 18.116) 25.085 37.720 ( 8.618 -0.775 2.297) 8.952 40.719 ( 6.946 0.444 -1.963) 7.232 40.856 ( 3.491 1.647 -3.968) 5.536 ======================= Grid point 206 (79/189) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.421 ( -20.012 -5.467 1.576) 20.805 4.762 ( -7.037 -1.279 3.950) 8.170 4.807 ( -8.312 -1.856 2.722) 8.942 5.687 ( 5.412 4.202 -3.011) 7.484 6.138 ( 3.368 -1.390 -0.568) 3.687 6.483 ( 11.986 0.928 1.200) 12.082 9.239 ( 1.329 -1.194 -1.582) 2.386 9.511 ( 10.790 3.181 -4.437) 12.093 10.309 ( -22.581 2.801 -4.377) 23.171 10.738 ( 8.257 0.595 2.687) 8.704 11.136 ( -7.135 4.921 0.504) 8.682 11.555 ( 4.834 -9.334 4.980) 11.631 17.895 ( -11.496 -5.401 10.007) 16.170 18.761 ( -8.344 -8.095 -9.105) 14.766 19.788 ( -11.099 8.327 13.614) 19.439 21.494 ( 10.698 -3.341 -8.777) 14.235 22.715 ( -10.815 5.503 -0.726) 12.157 23.644 ( 23.125 4.696 -5.847) 24.310 25.596 ( -9.748 -5.005 4.313) 11.776 25.924 ( 2.351 -1.709 1.157) 3.128 28.112 ( -0.393 0.745 -0.784) 1.151 28.304 ( 8.879 0.106 0.449) 8.891 30.084 ( 0.676 1.722 -0.958) 2.083 30.176 ( 1.195 -0.253 -0.593) 1.358 35.391 ( 2.548 -5.001 8.166) 9.909 35.912 ( -13.037 0.476 -22.806) 26.274 36.564 ( -12.709 2.664 22.960) 26.378 37.872 ( 10.904 -3.175 -2.542) 11.638 40.778 ( 1.023 2.707 -2.298) 3.695 40.948 ( 6.293 2.031 -2.430) 7.045 ======================= Grid point 207 (80/189) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.019 ( -24.513 -1.754 4.290) 24.948 4.432 ( -26.451 1.508 8.596) 27.853 4.902 ( 9.286 -1.005 1.863) 9.524 5.768 ( 5.228 0.238 -5.002) 7.239 6.189 ( 2.849 -3.682 0.002) 4.656 6.616 ( 5.598 -3.023 -2.012) 6.673 9.283 ( 0.986 5.347 1.311) 5.593 9.725 ( 10.634 5.500 -2.340) 12.198 9.962 ( -15.762 3.954 -3.153) 16.553 10.764 ( -6.714 3.061 1.618) 7.554 11.147 ( 4.799 -0.766 -2.007) 5.258 11.549 ( 2.160 -11.390 4.353) 12.383 17.677 ( -15.274 -3.125 10.535) 18.816 18.560 ( 1.028 -9.864 -7.061) 12.174 19.817 ( -8.690 10.094 18.708) 22.965 21.500 ( 5.234 -9.112 -15.281) 18.546 22.588 ( -14.650 13.847 3.944) 20.540 24.018 ( 20.580 3.146 -8.107) 22.342 25.434 ( -8.045 -4.354 6.424) 11.178 25.975 ( 5.112 -2.311 0.772) 5.663 28.124 ( 1.960 0.262 -1.210) 2.318 28.474 ( 10.107 -0.250 0.045) 10.110 30.054 ( -2.122 -0.728 -3.200) 3.908 30.221 ( 3.602 0.833 -0.347) 3.714 35.272 ( -13.345 -1.598 -4.130) 14.061 35.660 ( -5.867 -1.104 -6.326) 8.698 36.579 ( -4.680 0.833 23.383) 23.861 37.981 ( 11.315 -6.633 -8.113) 15.422 40.802 ( -0.772 5.096 -2.332) 5.658 41.052 ( 5.292 1.664 -2.137) 5.945 ======================= Grid point 208 (81/189) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.632 ( -27.170 4.602 9.158) 29.039 4.022 ( -31.966 2.592 12.011) 34.247 5.094 ( 11.088 0.691 2.144) 11.314 5.743 ( -9.597 -3.106 1.525) 10.201 6.170 ( 4.329 -0.827 -4.003) 5.954 6.645 ( 7.436 -7.179 -4.848) 11.417 9.331 ( -3.656 4.778 0.859) 6.077 9.759 ( -4.829 6.749 -1.250) 8.392 10.055 ( 13.837 8.756 -3.041) 16.654 10.676 ( -8.934 4.330 5.422) 11.311 11.187 ( 3.724 -3.704 -5.295) 7.458 11.459 ( -0.489 -13.352 3.543) 13.822 17.514 ( -10.700 -0.998 18.219) 21.152 18.497 ( 6.094 -9.723 -2.918) 11.840 19.918 ( -6.033 11.063 19.420) 23.150 21.292 ( -4.904 -12.155 -16.162) 20.809 22.565 ( -10.618 18.923 4.356) 22.131 24.291 ( 16.822 0.718 -11.511) 20.396 25.314 ( -6.278 -5.000 7.858) 11.232 26.059 ( 6.283 -2.423 2.144) 7.067 28.154 ( 2.611 -0.261 -3.171) 4.116 28.615 ( 6.811 -0.277 -2.315) 7.199 29.989 ( -0.310 -1.974 -4.689) 5.097 30.296 ( 4.524 0.932 -1.353) 4.813 34.957 ( -17.282 0.489 -6.340) 18.415 35.533 ( -8.606 1.207 1.601) 8.836 36.710 ( 2.655 -1.615 23.888) 24.089 38.023 ( 10.932 -9.259 -13.184) 19.470 40.820 ( -2.107 6.674 -3.195) 7.693 41.130 ( 4.133 0.955 -2.554) 4.951 ======================= Grid point 214 (82/189) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.339 ( -0.000 14.011 13.798) 19.665 4.498 ( -0.000 13.728 21.575) 25.573 5.349 ( -0.000 -3.682 5.110) 6.298 5.401 ( 0.000 -7.657 -11.077) 13.466 6.260 ( 0.000 -17.112 -14.934) 22.713 6.615 ( -0.000 31.126 6.012) 31.701 9.254 ( -0.000 -1.534 4.440) 4.698 9.470 ( 0.000 -8.151 -3.208) 8.759 9.580 ( 0.000 -9.101 -3.598) 9.787 10.539 ( -0.000 -8.056 11.404) 13.962 11.183 ( 0.000 6.072 -7.768) 9.860 12.200 ( -0.000 10.807 1.776) 10.952 18.259 ( -0.000 -14.102 12.430) 18.798 19.841 ( -0.000 0.451 8.043) 8.056 19.888 ( -0.000 13.560 21.626) 25.525 21.104 ( 0.000 4.479 -16.007) 16.622 21.501 ( 0.000 -9.680 0.393) 9.688 23.810 ( 0.000 -13.350 -11.351) 17.523 26.141 ( -0.000 2.278 10.835) 11.072 26.209 ( 0.000 -5.615 1.951) 5.944 28.102 ( 0.000 8.567 -7.626) 11.470 28.266 ( 0.000 0.879 -9.601) 9.641 29.887 ( 0.000 2.593 -4.300) 5.021 30.055 ( 0.000 2.083 -2.549) 3.292 34.502 ( -0.000 -2.647 8.534) 8.935 36.434 ( -0.000 18.307 23.474) 29.769 37.307 ( 0.000 -1.541 -6.893) 7.063 38.125 ( 0.000 -1.552 -14.035) 14.120 40.036 ( 0.000 -2.420 0.408) 2.455 40.879 ( 0.000 -3.221 -5.821) 6.653 ======================= Grid point 215 (83/189) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.529 ( 0.107 8.339 11.080) 13.867 4.751 ( 2.911 9.656 14.669) 17.802 5.304 ( 2.198 -2.483 -7.662) 8.348 5.357 ( -0.598 -2.230 6.213) 6.628 5.988 ( -1.145 -16.404 -12.982) 20.951 6.852 ( -7.132 22.288 -1.710) 23.463 9.225 ( -3.197 -3.626 3.672) 6.071 9.372 ( 0.549 -8.613 -4.567) 9.764 9.582 ( 8.591 -0.812 3.583) 9.344 10.601 ( 8.317 -8.148 8.639) 14.498 11.182 ( -1.451 5.369 -6.474) 8.535 12.234 ( -7.848 8.104 0.044) 11.281 18.182 ( -2.029 -12.200 11.081) 16.605 19.767 ( -10.502 2.430 8.275) 13.589 20.241 ( 5.144 11.819 11.358) 17.180 21.035 ( 1.751 1.117 -14.160) 14.312 21.512 ( 11.223 -9.292 3.479) 14.980 23.597 ( -4.137 -7.498 -10.097) 13.239 26.091 ( -6.057 -2.381 4.635) 7.990 26.244 ( 0.893 -2.482 3.745) 4.581 28.049 ( -6.370 4.465 -5.110) 9.307 28.295 ( 4.458 3.975 -7.409) 9.517 29.923 ( 3.929 0.982 -2.170) 4.594 30.044 ( -2.048 2.794 -1.242) 3.680 34.591 ( 7.135 -3.649 9.785) 12.647 36.716 ( -1.532 12.811 17.756) 21.949 37.232 ( -2.638 2.085 -10.171) 10.712 37.909 ( -12.047 -2.299 -10.244) 15.979 40.120 ( 10.529 -1.945 1.678) 10.838 40.823 ( 0.429 -1.800 -4.697) 5.049 ======================= Grid point 216 (84/189) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.640 ( -0.655 2.457 8.421) 8.797 4.960 ( 4.232 4.422 5.710) 8.371 5.275 ( -0.441 -1.210 -1.703) 2.135 5.386 ( -0.071 0.909 3.243) 3.369 5.796 ( 4.697 -10.816 -6.685) 13.555 6.768 ( -17.565 10.979 -5.931) 21.547 9.180 ( 0.300 -1.585 0.454) 1.676 9.280 ( 0.225 -5.466 -3.533) 6.512 9.855 ( 16.413 2.207 7.622) 18.230 10.738 ( 9.718 -5.329 4.210) 11.856 11.157 ( -1.806 1.614 -2.963) 3.827 12.096 ( -15.128 5.251 -1.850) 16.120 18.109 ( -1.572 -10.215 10.835) 14.973 19.603 ( -12.989 -1.172 -2.893) 13.358 20.349 ( -9.845 8.305 6.638) 14.490 21.041 ( 6.590 0.801 -10.687) 12.581 21.793 ( 26.269 -6.160 9.544) 28.619 23.421 ( -4.896 0.047 -8.590) 9.888 25.990 ( -5.567 -2.916 2.936) 6.937 26.189 ( -5.879 -2.920 0.809) 6.614 27.985 ( -1.827 2.391 -1.294) 3.275 28.335 ( -0.202 4.109 -5.743) 7.065 29.979 ( 1.304 1.062 0.958) 1.936 30.058 ( 2.594 1.743 -1.387) 3.419 34.785 ( 12.233 -4.352 10.673) 16.808 36.767 ( -9.117 3.106 -5.030) 10.866 37.163 ( -6.981 8.149 0.726) 10.755 37.639 ( -8.614 -3.555 -2.367) 9.614 40.332 ( 13.548 -0.598 1.755) 13.674 40.801 ( 0.937 0.194 -3.391) 3.523 ======================= Grid point 217 (85/189) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.666 ( -0.199 -3.047 4.165) 5.165 4.951 ( -7.830 -2.802 -1.543) 8.458 5.262 ( -4.340 0.488 3.061) 5.333 5.399 ( 5.020 -0.657 -1.911) 5.411 5.908 ( 14.419 -1.038 1.912) 14.582 6.489 ( -17.998 5.836 -4.814) 19.523 9.205 ( 1.828 0.551 -0.622) 2.008 9.247 ( 3.095 -0.460 -2.321) 3.896 10.213 ( 18.197 -0.580 6.019) 19.176 10.819 ( -1.764 3.066 -3.174) 4.752 11.149 ( 4.750 -6.746 4.708) 9.499 11.822 ( -18.867 2.965 -3.623) 19.439 18.066 ( -0.989 -8.647 11.145) 14.140 19.247 ( -16.845 -5.607 -17.043) 24.610 20.267 ( -15.167 7.316 17.025) 23.946 21.102 ( 10.648 -2.373 -15.163) 18.680 22.335 ( 30.058 -0.048 12.677) 32.622 23.325 ( -3.928 5.793 -7.208) 10.047 25.882 ( -5.313 -3.426 1.635) 6.530 26.025 ( -8.796 -2.673 -0.987) 9.246 28.019 ( 3.358 1.023 1.312) 3.747 28.296 ( -4.491 3.347 -3.816) 6.777 30.019 ( 1.694 0.905 1.837) 2.658 30.119 ( 3.133 0.712 -1.195) 3.428 35.035 ( 13.906 -5.176 11.234) 18.611 36.452 ( -16.033 0.582 -23.638) 28.568 37.105 ( -15.561 5.173 18.027) 24.370 37.566 ( 4.971 -3.212 -4.299) 7.316 40.564 ( 11.702 0.875 1.966) 11.898 40.815 ( 1.426 2.197 -2.353) 3.521 ======================= Grid point 218 (86/189) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.638 ( -2.378 -4.726 1.369) 5.465 4.729 ( -9.053 -2.788 -2.323) 9.753 5.140 ( -14.436 2.359 7.547) 16.460 5.498 ( 10.794 -5.237 -7.474) 14.135 6.152 ( 5.895 2.326 3.777) 7.377 6.307 ( -1.118 1.949 -2.684) 3.500 9.245 ( 0.871 4.925 2.059) 5.409 9.358 ( 8.569 3.898 -2.649) 9.779 10.508 ( 16.387 -5.295 2.887) 17.461 10.671 ( -16.649 5.498 -4.403) 18.077 11.229 ( 5.718 -7.698 7.260) 12.027 11.519 ( -13.225 0.113 -5.251) 14.230 18.032 ( -3.252 -7.110 12.065) 14.377 18.770 ( -14.814 -7.814 -21.774) 27.470 20.222 ( -14.310 8.070 23.878) 28.984 21.152 ( 12.419 -5.801 -19.270) 23.648 22.859 ( 13.341 6.977 13.295) 20.086 23.338 ( 6.949 6.013 -7.875) 12.102 25.750 ( -8.693 -2.212 2.653) 9.354 25.880 ( -2.231 -3.605 -2.715) 5.034 28.117 ( 4.988 0.340 2.424) 5.556 28.229 ( -3.085 2.425 -2.228) 4.512 30.073 ( 2.640 -0.245 1.423) 3.009 30.147 ( 0.477 0.474 -1.664) 1.795 35.274 ( 11.470 -5.862 11.509) 17.274 36.018 ( -16.348 0.898 -24.674) 29.612 36.992 ( -16.466 2.730 22.117) 27.708 37.616 ( 9.449 -5.368 -9.109) 14.180 40.754 ( 6.517 2.623 2.398) 7.423 40.864 ( 3.268 3.147 -2.169) 5.029 ======================= Grid point 219 (87/189) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.414 ( -18.525 3.269 1.880) 18.905 4.725 ( 8.972 -4.402 -0.678) 10.017 4.929 ( -20.717 4.199 10.597) 23.646 5.549 ( 10.350 -9.031 -9.266) 16.569 6.168 ( -3.227 2.997 1.384) 4.616 6.416 ( 10.194 -5.990 -2.656) 12.118 9.370 ( 1.458 11.451 4.177) 12.276 9.570 ( 11.917 6.838 -2.145) 13.906 10.353 ( -23.113 5.705 -1.778) 23.873 10.706 ( 12.686 -7.124 1.439) 14.621 11.174 ( -8.669 -1.827 1.593) 9.002 11.392 ( 3.870 -8.668 -2.077) 9.718 17.940 ( -10.685 -3.946 11.589) 16.250 18.397 ( -2.990 -9.603 -15.928) 18.838 20.236 ( -12.272 8.726 25.121) 29.288 21.151 ( 10.611 -8.659 -21.455) 25.454 23.017 ( -11.925 15.849 9.727) 22.091 23.615 ( 22.710 0.596 -7.373) 23.884 25.598 ( -9.918 -0.247 4.159) 10.758 25.845 ( 4.844 -5.147 -2.425) 7.473 28.147 ( -2.967 3.157 0.346) 4.346 28.293 ( 9.348 -1.518 -0.126) 9.471 30.089 ( -2.823 1.028 -1.449) 3.336 30.152 ( 3.433 -1.771 -0.381) 3.882 35.411 ( -0.744 -3.244 7.838) 8.515 35.655 ( -7.674 -0.718 -16.850) 18.529 36.903 ( -13.125 2.058 23.068) 26.621 37.647 ( 10.627 -8.486 -13.814) 19.385 40.856 ( 0.297 5.206 1.214) 5.354 40.962 ( 5.821 1.985 -1.668) 6.372 ======================= Grid point 220 (88/189) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.159 ( -21.191 9.470 5.628) 23.883 4.623 ( -25.713 3.865 10.477) 28.033 4.917 ( 12.308 -0.276 2.203) 12.507 5.582 ( 11.446 -10.731 -6.110) 16.837 6.141 ( -1.722 0.001 -1.830) 2.513 6.445 ( 5.141 -9.071 -3.781) 11.091 9.520 ( -3.425 13.833 2.789) 14.521 9.855 ( 11.805 9.065 -0.824) 14.907 10.050 ( -15.814 7.360 -0.762) 17.459 10.816 ( 4.059 -3.922 4.380) 7.144 11.045 ( -1.179 -3.564 -2.849) 4.713 11.326 ( 1.182 -13.072 -0.895) 13.155 17.785 ( -11.081 -0.639 11.987) 16.337 18.272 ( 5.764 -10.521 -5.021) 13.005 20.291 ( -9.653 9.216 23.233) 26.794 21.057 ( 4.800 -10.132 -20.893) 23.711 23.007 ( -14.299 18.631 7.217) 24.570 23.910 ( 18.907 -2.100 -10.732) 21.841 25.464 ( -9.344 -0.106 5.479) 10.832 25.903 ( 8.488 -5.172 -0.006) 9.940 28.137 ( -1.465 2.833 -1.295) 3.443 28.440 ( 9.982 -2.366 -1.675) 10.394 30.006 ( -5.075 0.827 -3.964) 6.493 30.211 ( 4.963 -1.839 0.667) 5.335 35.221 ( -15.611 3.856 -6.308) 17.273 35.595 ( 1.668 -4.530 3.866) 6.185 36.893 ( -6.943 1.164 23.201) 24.246 37.637 ( 11.158 -10.442 -17.796) 23.457 40.901 ( -1.543 5.943 -0.708) 6.181 41.054 ( 4.343 1.182 -2.033) 4.939 ======================= Grid point 227 (89/189) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.635 ( -0.000 3.874 5.315) 6.577 4.878 ( -0.000 2.586 11.943) 12.219 5.201 ( 0.000 -1.029 -6.037) 6.124 5.436 ( -0.000 3.864 7.506) 8.443 5.757 ( 0.000 -15.344 -10.739) 18.728 7.116 ( -0.000 20.212 -6.895) 21.356 9.279 ( 0.000 -4.538 -2.802) 5.334 9.281 ( -0.000 -5.122 9.448) 10.747 9.466 ( 0.000 -3.001 1.183) 3.226 10.491 ( -0.000 -8.537 7.027) 11.057 11.213 ( 0.000 6.132 -6.608) 9.015 12.366 ( -0.000 5.668 -1.415) 5.842 18.151 ( -0.000 -10.869 9.568) 14.481 19.870 ( 0.000 -0.051 -5.563) 5.564 20.397 ( -0.000 8.256 10.345) 13.236 20.898 ( 0.000 0.188 -10.470) 10.472 21.413 ( -0.000 -5.504 9.960) 11.380 23.523 ( 0.000 -3.582 -6.662) 7.564 26.121 ( 0.000 -3.688 -0.448) 3.715 26.242 ( -0.000 -1.735 3.715) 4.101 28.183 ( -0.000 6.791 -4.227) 7.999 28.198 ( 0.000 2.054 -4.528) 4.972 29.882 ( 0.000 0.894 -1.421) 1.679 30.087 ( -0.000 2.294 -0.091) 2.296 34.553 ( -0.000 -4.760 11.115) 12.092 36.918 ( -0.000 5.945 9.426) 11.144 37.203 ( 0.000 3.032 -12.058) 12.433 37.953 ( 0.000 1.427 -8.408) 8.528 40.027 ( -0.000 -2.299 5.713) 6.158 40.783 ( 0.000 -0.354 -2.956) 2.977 ======================= Grid point 228 (90/189) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.677 ( 0.508 -1.655 2.239) 2.830 4.946 ( 2.315 -3.152 4.925) 6.289 5.204 ( 2.445 1.203 -3.792) 4.669 5.454 ( -1.279 -4.145 -3.617) 5.648 5.648 ( 1.051 0.965 5.504) 5.686 7.106 ( -12.849 11.226 -9.772) 19.662 9.206 ( -4.491 -3.614 4.811) 7.508 9.240 ( -0.387 -0.803 -0.743) 1.161 9.628 ( 14.912 -2.299 6.486) 16.423 10.524 ( 8.638 -7.622 4.357) 12.316 11.210 ( -2.414 5.120 -5.460) 7.865 12.322 ( -8.268 2.813 -3.073) 9.259 18.098 ( -1.142 -9.289 8.623) 12.726 19.718 ( -9.511 -2.220 -13.192) 16.413 20.445 ( 6.606 -5.053 -10.939) 13.741 20.957 ( -1.864 9.338 4.470) 10.520 21.531 ( 11.066 -3.456 18.529) 21.856 23.457 ( -2.647 2.305 -3.993) 5.316 26.047 ( -4.119 -2.620 -0.697) 4.931 26.225 ( -1.104 -2.919 -0.896) 3.247 28.082 ( -6.868 3.257 -0.941) 7.660 28.317 ( 4.202 4.797 -3.350) 7.203 29.921 ( 3.847 0.675 -0.413) 3.927 30.090 ( -1.825 1.492 1.077) 2.591 34.640 ( 7.226 -5.372 12.119) 15.098 36.872 ( -7.889 -2.231 -9.829) 12.800 37.203 ( 4.117 3.323 -7.894) 9.503 37.845 ( -12.285 4.481 1.290) 13.140 40.141 ( 9.921 -1.279 6.757) 12.071 40.781 ( 0.589 1.526 -1.143) 1.995 ======================= Grid point 229 (91/189) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.632 ( -0.729 -8.307 -0.522) 8.355 4.964 ( 2.837 -5.211 -1.736) 6.182 5.173 ( 0.051 -4.241 -7.427) 8.553 5.419 ( 1.953 -0.447 1.576) 2.550 5.803 ( 3.673 9.535 9.276) 13.800 6.839 ( -18.925 4.448 -6.946) 20.644 9.173 ( 0.838 -0.219 1.086) 1.389 9.250 ( -0.247 3.857 1.593) 4.180 9.912 ( 17.167 -5.794 5.772) 19.016 10.674 ( 12.866 -4.733 2.263) 13.895 11.161 ( -4.680 3.045 -3.421) 6.548 12.111 ( -15.167 0.363 -4.466) 15.815 18.050 ( -0.260 -8.333 7.878) 11.470 19.348 ( -15.998 -5.532 -20.917) 26.909 20.459 ( 9.008 -6.486 -7.717) 13.519 20.968 ( -8.239 7.604 2.765) 11.548 21.964 ( 24.981 0.086 20.101) 32.064 23.435 ( -3.853 7.862 -1.474) 8.879 25.931 ( -5.071 -3.218 -2.050) 6.346 26.128 ( -5.843 -1.884 -2.995) 6.831 28.028 ( -2.400 1.740 1.517) 3.331 28.372 ( -1.208 4.766 -2.317) 5.435 29.990 ( 2.862 -0.350 0.653) 2.956 30.095 ( 0.737 1.225 1.535) 2.098 34.831 ( 12.005 -5.956 12.615) 18.405 36.550 ( -13.154 -3.523 -21.470) 25.424 37.256 ( 5.495 -1.176 -6.531) 8.616 37.676 ( -16.321 4.832 8.974) 19.242 40.381 ( 12.943 0.456 6.045) 14.292 40.816 ( 0.903 3.295 0.292) 3.429 ======================= Grid point 230 (92/189) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.515 ( 1.891 -12.312 -3.370) 12.905 4.885 ( -6.951 0.291 -3.437) 7.760 5.122 ( 9.206 -11.070 -8.512) 16.725 5.450 ( -5.049 4.277 5.779) 8.785 6.030 ( 7.108 6.162 5.219) 10.758 6.540 ( -15.910 3.022 -1.405) 16.255 9.244 ( 5.660 3.018 -0.368) 6.425 9.335 ( 1.028 9.157 3.469) 9.846 10.147 ( 17.336 -11.160 2.596) 20.780 10.836 ( 4.431 1.250 -1.492) 4.840 11.091 ( -1.077 -2.279 1.263) 2.819 11.784 ( -18.408 -1.142 -5.175) 19.156 18.027 ( 1.327 -8.182 7.295) 11.042 18.849 ( -18.479 -6.103 -22.351) 29.636 20.520 ( 7.487 -5.118 0.286) 9.073 20.899 ( -7.523 4.905 -0.605) 9.001 22.552 ( 29.630 0.740 13.177) 32.437 23.453 ( -5.821 12.049 1.497) 13.465 25.794 ( -3.565 -5.249 -3.823) 7.408 25.973 ( -9.090 0.819 -2.324) 9.419 28.051 ( 2.461 0.030 2.282) 3.357 28.350 ( -5.368 5.175 -1.042) 7.528 30.018 ( 2.133 -2.612 1.763) 3.805 30.146 ( 1.377 2.132 0.451) 2.577 35.069 ( 13.441 -6.863 12.541) 19.622 36.135 ( -14.656 -2.410 -22.816) 27.224 37.276 ( 4.558 -4.361 -5.432) 8.325 37.508 ( -14.710 3.132 9.143) 17.601 40.637 ( 11.273 1.751 4.699) 12.338 40.874 ( 0.706 4.522 1.009) 4.687 ======================= Grid point 231 (93/189) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.466 ( 9.574 -11.119 -3.405) 15.063 4.733 ( -11.829 6.053 -1.716) 13.398 5.134 ( 12.585 -14.177 -8.265) 20.681 5.376 ( -14.220 5.590 6.376) 16.557 6.189 ( 7.291 -2.451 -0.492) 7.708 6.359 ( -10.802 3.799 3.085) 11.859 9.424 ( 10.409 6.446 -0.457) 12.251 9.504 ( 2.238 14.113 3.850) 14.799 10.327 ( 17.807 -14.198 0.321) 22.776 10.747 ( -15.434 6.337 -2.246) 16.835 11.136 ( 7.334 -8.267 3.924) 11.727 11.437 ( -15.767 -1.796 -5.361) 16.750 18.024 ( 2.461 -8.536 7.236) 11.458 18.368 ( -16.073 -4.392 -17.394) 24.087 20.608 ( 4.213 -3.243 8.248) 9.813 20.806 ( -4.405 1.872 -7.250) 8.687 23.097 ( 26.964 -0.613 3.706) 27.224 23.479 ( -9.445 15.001 4.631) 18.322 25.686 ( 1.697 -6.912 -4.041) 8.185 25.819 ( -10.145 2.987 -0.428) 10.584 28.133 ( 6.127 -1.228 1.759) 6.491 28.295 ( -6.600 5.795 -0.057) 8.783 30.049 ( 3.815 -3.847 2.206) 5.850 30.161 ( -2.351 2.526 -1.028) 3.600 35.293 ( 12.043 -7.943 11.757) 18.611 35.749 ( -13.455 0.035 -18.328) 22.737 37.261 ( 1.694 -4.925 -0.941) 5.293 37.357 ( -9.515 0.200 3.078) 10.002 40.844 ( 7.944 2.117 2.720) 8.659 40.934 ( 0.034 5.051 0.863) 5.125 ======================= Grid point 232 (94/189) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.596 ( 10.189 -2.557 -4.633) 11.481 4.596 ( -7.309 7.545 4.633) 11.481 5.167 ( 11.647 -13.924 -11.782) 21.642 5.167 ( -17.883 3.125 11.782) 21.642 6.242 ( 5.235 -6.402 -2.215) 8.561 6.242 ( -8.162 1.332 2.215) 8.561 9.705 ( 11.637 9.997 -2.461) 15.538 9.705 ( 2.839 15.077 2.461) 15.538 10.485 ( 14.889 -13.170 -1.526) 19.937 10.485 ( -18.850 6.309 1.526) 19.937 11.164 ( -4.418 -5.600 -10.726) 12.881 11.164 ( -2.641 -6.626 10.726) 12.881 18.034 ( -0.885 -6.717 -14.039) 15.588 18.034 ( -5.374 -4.124 14.039) 15.588 20.696 ( 8.528 -6.117 -25.469) 27.547 20.696 ( -9.562 4.327 25.469) 27.547 23.476 ( 18.046 -1.738 -11.042) 21.228 23.476 ( -10.529 14.759 11.042) 21.228 25.683 ( 6.092 -5.806 -3.914) 9.281 25.683 ( -8.074 2.373 3.914) 9.281 28.246 ( 3.769 0.306 -2.306) 4.429 28.246 ( -1.619 3.417 2.306) 4.429 30.103 ( -4.973 2.032 -2.846) 6.079 30.103 ( 4.246 -3.291 2.846) 6.079 35.460 ( -8.532 1.528 -11.709) 14.568 35.460 ( 5.589 -6.624 11.709) 14.568 37.235 ( 9.003 -9.426 -21.546) 25.182 37.235 ( -12.664 3.084 21.546) 25.182 40.979 ( 3.092 2.538 -2.056) 4.497 40.979 ( 0.652 3.946 2.056) 4.497 ======================= Grid point 241 (95/189) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.634 ( 0.000 -5.724 -2.382) 6.200 4.873 ( 0.000 -11.406 0.578) 11.420 5.207 ( -0.000 5.515 -0.151) 5.517 5.326 ( 0.000 -8.067 -8.611) 11.799 5.801 ( -0.000 12.429 12.960) 17.957 7.223 ( 0.000 3.836 -13.991) 14.508 9.259 ( -0.000 3.321 1.651) 3.709 9.281 ( -0.000 -7.329 9.897) 12.315 9.476 ( -0.000 0.276 4.491) 4.499 10.396 ( 0.000 -6.352 1.578) 6.545 11.249 ( 0.000 4.881 -4.845) 6.877 12.382 ( 0.000 -0.127 -4.661) 4.663 18.071 ( -0.000 -7.815 5.884) 9.782 19.706 ( 0.000 -1.461 -16.104) 16.170 20.116 ( 0.000 -12.701 -25.382) 28.382 21.194 ( -0.000 10.738 18.055) 21.006 21.523 ( -0.000 -2.326 18.065) 18.214 23.508 ( -0.000 6.350 -0.027) 6.350 26.069 ( 0.000 -0.056 -1.765) 1.766 26.167 ( 0.000 -4.975 -4.610) 6.783 28.245 ( -0.000 4.749 1.324) 4.930 28.246 ( -0.000 3.481 -1.985) 4.007 29.896 ( -0.000 1.405 0.511) 1.495 30.125 ( -0.000 0.401 1.522) 1.574 34.603 ( -0.000 -5.989 13.550) 14.814 36.810 ( 0.000 -11.981 -13.172) 17.806 37.115 ( 0.000 5.865 -15.824) 16.876 38.044 ( -0.000 8.230 4.169) 9.225 40.092 ( -0.000 -1.580 10.493) 10.611 40.798 ( -0.000 3.087 0.979) 3.239 ======================= Grid point 242 (96/189) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.523 ( -0.619 -12.384 -5.277) 13.476 4.753 ( 4.525 -15.660 -5.258) 17.127 5.164 ( -4.378 -0.590 -6.386) 7.765 5.356 ( 5.929 4.581 2.506) 7.901 6.008 ( -1.780 15.276 12.576) 19.867 7.035 ( -9.386 -4.838 -12.386) 16.276 9.211 ( -4.008 -2.246 5.232) 6.963 9.326 ( -0.077 7.199 4.071) 8.271 9.640 ( 11.563 -4.181 6.153) 13.749 10.433 ( 9.884 -4.157 -0.036) 10.723 11.242 ( -2.777 3.929 -3.558) 5.984 12.264 ( -7.907 -2.819 -6.078) 10.364 18.018 ( -0.726 -7.031 2.581) 7.525 19.419 ( -14.048 -5.169 -19.925) 24.921 20.009 ( 15.975 -9.194 -23.217) 29.644 21.301 ( -9.013 6.598 15.220) 18.879 21.751 ( 13.970 -1.420 19.385) 23.937 23.585 ( -2.120 11.065 3.537) 11.809 25.974 ( -5.996 -2.980 -5.075) 8.402 26.124 ( 1.150 -1.419 -4.807) 5.142 28.151 ( -7.390 2.789 1.762) 8.093 28.389 ( 3.655 4.678 0.397) 5.950 29.949 ( 2.875 1.810 1.383) 3.668 30.120 ( -1.316 -0.497 2.184) 2.597 34.691 ( 6.852 -6.485 14.459) 17.264 36.511 ( -6.258 -13.571 -19.789) 24.798 37.100 ( 3.175 3.803 -15.956) 16.707 38.049 ( -11.823 7.358 7.250) 15.700 40.237 ( 9.334 -0.456 10.691) 14.199 40.851 ( 0.466 4.406 2.504) 5.089 ======================= Grid point 243 (97/189) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.313 ( 0.046 -18.285 -7.613) 19.806 4.673 ( 10.395 -17.453 -9.478) 22.416 5.049 ( -5.450 2.654 -6.060) 8.571 5.530 ( 3.849 6.375 5.919) 9.512 6.169 ( -4.583 12.508 8.562) 15.836 6.743 ( -9.392 -6.382 -5.409) 12.578 9.205 ( 1.260 1.641 1.499) 2.555 9.454 ( 0.716 11.547 5.949) 13.009 9.797 ( 11.837 -10.135 3.412) 15.952 10.620 ( 14.299 -2.323 -0.411) 14.493 11.189 ( -5.422 3.029 -1.607) 6.415 11.998 ( -13.784 -4.602 -6.674) 15.991 17.949 ( 0.663 -7.437 -1.595) 7.635 18.969 ( -17.093 -5.707 -18.012) 25.479 20.095 ( 18.122 -6.036 -20.769) 28.217 21.259 ( -13.220 3.871 16.728) 21.670 22.159 ( 23.589 -2.504 12.067) 26.614 23.698 ( -3.725 14.728 7.463) 16.926 25.783 ( -5.976 -5.907 -7.903) 11.535 26.081 ( -3.552 2.051 -3.601) 5.459 28.089 ( -3.943 1.569 2.859) 5.117 28.460 ( -1.323 5.306 0.690) 5.512 29.997 ( -0.222 -0.800 2.317) 2.462 30.140 ( 2.198 1.326 2.267) 3.425 34.871 ( 10.914 -7.478 14.323) 19.498 36.130 ( -7.845 -11.363 -21.091) 25.209 37.074 ( 3.415 0.530 -17.195) 17.539 37.918 ( -16.537 5.159 10.976) 20.508 40.491 ( 11.872 1.082 8.304) 14.528 40.926 ( 0.453 5.124 3.216) 6.066 ======================= Grid point 244 (98/189) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.136 ( 7.743 -18.290 -7.867) 21.362 4.633 ( 14.004 -19.685 -11.294) 26.668 4.961 ( -6.305 6.879 -4.512) 10.364 5.647 ( -3.838 6.579 7.111) 10.420 6.175 ( -5.175 1.495 1.832) 5.690 6.569 ( -7.468 -0.190 2.707) 7.946 9.309 ( 7.620 3.830 -0.922) 8.578 9.647 ( 1.854 15.129 5.614) 16.243 9.912 ( 13.739 -12.406 1.457) 18.568 10.804 ( 9.575 -2.354 -2.467) 10.164 11.106 ( -6.639 1.705 1.817) 7.091 11.650 ( -15.992 -5.304 -5.581) 17.749 17.874 ( 3.073 -8.889 -7.259) 11.881 18.544 ( -16.584 -3.064 -8.687) 18.970 20.214 ( 16.673 -4.454 -20.435) 26.748 21.156 ( -14.281 0.830 18.698) 23.542 22.618 ( 27.104 -2.767 1.879) 27.310 23.829 ( -6.359 16.329 10.915) 20.645 25.580 ( -2.939 -7.840 -8.260) 11.762 26.002 ( -7.052 4.111 -2.082) 8.424 28.087 ( 0.249 0.766 2.654) 2.774 28.467 ( -5.053 6.465 1.153) 8.286 29.988 ( 0.497 -3.340 3.303) 4.724 30.207 ( 0.504 3.076 1.135) 3.317 35.071 ( 11.867 -9.572 12.097) 19.462 35.792 ( -6.691 -6.709 -15.905) 18.513 37.004 ( 3.594 -2.719 -20.067) 20.566 37.759 ( -16.575 4.046 14.736) 22.545 40.734 ( 9.630 1.837 4.726) 10.884 41.000 ( -0.124 5.104 3.098) 5.972 ======================= Grid point 254 (99/189) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.344 ( 0.000 -16.384 -9.349) 18.864 4.476 ( 0.000 -22.772 -8.477) 24.298 5.171 ( 0.000 0.502 -4.219) 4.248 5.405 ( -0.000 11.249 4.264) 12.030 6.267 ( -0.000 17.237 12.075) 21.046 6.897 ( 0.000 -18.049 -15.197) 23.595 9.265 ( -0.000 -4.043 6.187) 7.391 9.440 ( -0.000 9.078 6.479) 11.153 9.585 ( -0.000 3.179 7.315) 7.976 10.293 ( 0.000 -3.291 -2.797) 4.319 11.281 ( 0.000 3.221 -2.528) 4.094 12.244 ( 0.000 -5.828 -7.754) 9.700 17.957 ( 0.000 -6.282 -4.288) 7.606 19.467 ( 0.000 -0.801 -15.310) 15.331 19.543 ( 0.000 -11.142 -24.508) 26.922 21.499 ( -0.000 0.207 10.581) 10.583 21.743 ( -0.000 -1.013 20.406) 20.432 23.763 ( -0.000 14.606 6.904) 16.156 25.952 ( 0.000 -6.499 -10.670) 12.494 26.072 ( 0.000 2.805 -2.445) 3.721 28.273 ( -0.000 0.895 -0.180) 0.913 28.398 ( -0.000 6.133 4.989) 7.906 29.962 ( -0.000 3.235 3.006) 4.416 30.139 ( -0.000 -0.995 1.873) 2.121 34.665 ( -0.000 -6.838 16.344) 17.717 36.256 ( 0.000 -20.271 -20.882) 29.103 37.029 ( 0.000 7.686 -18.682) 20.202 38.264 ( -0.000 7.591 4.128) 8.641 40.224 ( -0.000 -0.934 13.880) 13.911 40.916 ( -0.000 5.223 3.851) 6.489 ======================= Grid point 255 (100/189) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.061 ( -1.672 -23.560 -11.588) 26.309 4.244 ( 7.663 -24.340 -12.087) 28.235 5.138 ( -3.923 5.182 -3.192) 7.241 5.582 ( 3.590 9.896 4.996) 11.652 6.430 ( -6.721 5.726 3.688) 9.569 6.631 ( 3.063 -12.838 -5.527) 14.309 9.250 ( -2.097 0.391 3.769) 4.331 9.594 ( 2.178 8.100 8.240) 11.758 9.664 ( -0.373 3.071 5.540) 6.345 10.360 ( 11.963 -1.773 -2.671) 12.385 11.276 ( -2.523 2.517 -1.030) 3.710 12.063 ( -6.755 -7.935 -8.752) 13.609 17.837 ( -0.373 -6.807 -11.816) 13.642 19.084 ( -14.825 -5.012 -14.683) 21.459 19.622 ( 17.043 -2.508 -17.700) 24.699 21.512 ( -3.366 -3.636 10.453) 11.568 21.922 ( 9.007 -2.208 15.054) 17.681 23.955 ( -1.803 16.839 9.621) 19.477 25.763 ( -5.232 -6.474 -11.473) 14.175 26.100 ( 0.723 3.255 -3.361) 4.734 28.217 ( -5.877 1.287 2.244) 6.421 28.515 ( 1.645 5.014 3.927) 6.578 30.032 ( -0.005 2.967 3.849) 4.860 30.137 ( 0.480 0.049 2.407) 2.455 34.754 ( 5.543 -7.679 17.185) 19.622 35.905 ( -0.777 -20.287 -21.030) 29.231 36.977 ( -0.744 6.962 -20.149) 21.331 38.262 ( -10.479 6.126 5.253) 13.226 40.384 ( 8.333 -0.022 12.850) 15.316 40.997 ( 0.161 5.488 4.268) 6.954 ======================= Grid point 256 (101/189) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.751 ( 4.687 -25.659 -12.071) 28.741 4.094 ( 13.291 -25.979 -13.455) 32.134 5.107 ( -5.278 8.457 -2.815) 10.358 5.735 ( 3.860 1.460 2.311) 4.730 6.245 ( -3.507 -10.290 -1.856) 11.028 6.677 ( -3.146 6.868 5.226) 9.186 9.266 ( 0.521 2.262 1.593) 2.815 9.672 ( 3.976 -4.252 2.671) 6.404 9.829 ( 1.756 15.915 7.711) 17.772 10.553 ( 13.338 -3.037 -2.463) 13.900 11.237 ( -4.517 1.922 1.211) 5.057 11.772 ( -10.921 -8.468 -8.044) 15.990 17.674 ( 1.317 -8.319 -17.725) 19.625 18.733 ( -14.035 -2.348 -6.052) 15.463 19.785 ( 16.112 -0.287 -17.276) 23.625 21.435 ( -8.158 -7.792 14.008) 17.985 22.208 ( 19.043 -1.088 4.661) 19.636 24.147 ( -3.510 16.861 11.929) 20.950 25.523 ( -5.932 -7.457 -11.094) 14.624 26.102 ( -2.362 4.007 -3.294) 5.700 28.161 ( -4.230 1.770 3.344) 5.675 28.588 ( -1.172 4.846 2.968) 5.803 30.020 ( -3.657 -0.425 3.591) 5.143 30.223 ( 2.876 3.834 3.323) 5.832 34.884 ( 7.503 -10.754 14.169) 19.306 35.619 ( 2.530 -15.140 -14.999) 21.461 36.874 ( -2.375 4.555 -22.247) 22.832 38.142 ( -14.091 4.734 9.264) 17.516 40.623 ( 9.842 1.230 8.613) 13.136 41.075 ( -0.234 5.077 3.839) 6.369 ======================= Grid point 267 (102/189) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.763 ( 0.000 -26.871 -14.906) 30.728 3.798 ( 0.000 -31.513 -13.847) 34.421 5.231 ( -0.000 8.561 -0.965) 8.615 5.604 ( 0.000 -6.705 -3.626) 7.623 6.270 ( 0.000 -18.221 -3.906) 18.635 6.729 ( -0.000 16.558 6.996) 17.975 9.293 ( -0.000 1.062 2.690) 2.892 9.683 ( -0.000 2.934 9.866) 10.292 9.839 ( -0.000 13.216 9.198) 16.101 10.194 ( 0.000 -1.418 -5.711) 5.885 11.314 ( -0.000 1.787 -0.005) 1.787 11.966 ( 0.000 -10.479 -10.417) 14.776 17.667 ( 0.000 -6.922 -21.704) 22.781 19.112 ( 0.000 -4.640 -18.117) 18.701 19.350 ( 0.000 2.493 -4.778) 5.389 21.471 ( 0.000 -10.399 2.169) 10.623 21.972 ( -0.000 -1.302 18.418) 18.464 24.204 ( -0.000 17.874 10.083) 20.522 25.666 ( 0.000 -6.377 -13.601) 15.022 26.110 ( -0.000 4.148 -2.440) 4.812 28.287 ( -0.000 -0.031 1.348) 1.349 28.581 ( -0.000 4.422 6.147) 7.573 30.105 ( -0.000 5.103 6.770) 8.478 30.149 ( -0.000 0.558 1.121) 1.253 34.754 ( -0.000 -7.726 20.406) 21.820 35.547 ( 0.000 -23.610 -21.311) 31.806 36.937 ( 0.000 9.070 -22.071) 23.862 38.436 ( -0.000 6.424 1.606) 6.622 40.397 ( -0.000 -0.805 15.537) 15.557 41.078 ( -0.000 5.499 4.392) 7.038 ======================= Grid point 268 (103/189) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.331 ( 0.465 -32.598 -15.493) 36.095 3.514 ( 10.645 -32.255 -14.921) 37.099 5.265 ( -3.557 3.138 -3.096) 5.664 5.400 ( 9.884 -30.003 -10.340) 33.238 6.261 ( -0.849 8.679 8.085) 11.892 6.886 ( -3.748 13.461 3.919) 14.513 9.320 ( -0.858 2.606 2.244) 3.544 9.695 ( -5.190 0.257 5.951) 7.901 10.025 ( 0.009 15.695 8.774) 17.981 10.287 ( 12.389 -1.718 -3.361) 12.951 11.313 ( -2.124 0.908 1.390) 2.696 11.747 ( -4.573 -11.182 -10.537) 16.031 17.437 ( 0.420 -7.784 -27.563) 28.644 18.883 ( -9.690 -0.591 -8.251) 12.741 19.481 ( 11.171 3.429 -6.827) 13.533 21.397 ( 3.540 -14.887 2.340) 15.480 22.082 ( 3.208 -0.197 12.635) 13.037 24.428 ( -1.593 16.960 10.725) 20.130 25.475 ( -4.784 -6.161 -13.106) 15.251 26.140 ( -0.082 4.386 -2.418) 5.009 28.264 ( -3.372 0.602 2.418) 4.193 28.654 ( 0.120 2.405 5.065) 5.608 30.124 ( -4.220 2.573 2.322) 5.461 30.244 ( 3.036 5.364 6.800) 9.178 34.806 ( -0.022 -11.592 16.941) 20.527 35.261 ( 7.899 -19.177 -13.608) 24.805 36.850 ( -3.450 8.506 -24.441) 26.108 38.427 ( -8.430 5.480 3.186) 10.547 40.551 ( 6.831 -0.100 13.141) 14.811 41.154 ( -0.300 4.994 3.783) 6.272 ======================= Grid point 280 (104/189) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( 0.000 -38.978 -15.264) 41.860 2.934 ( 0.000 -36.279 -17.310) 40.196 4.675 ( 0.000 -58.279 -15.844) 60.394 5.454 ( -0.000 13.519 0.739) 13.539 6.476 ( -0.000 17.537 11.518) 20.981 7.067 ( -0.000 13.069 0.188) 13.071 9.361 ( -0.000 2.806 1.318) 3.100 9.834 ( -0.000 -0.467 10.546) 10.556 10.087 ( 0.000 -0.922 -7.792) 7.847 10.256 ( -0.000 15.319 10.079) 18.337 11.348 ( -0.000 0.369 1.801) 1.839 11.591 ( 0.000 -12.535 -11.903) 17.286 17.161 ( 0.000 -7.197 -34.450) 35.194 18.911 ( 0.000 2.420 -10.513) 10.788 19.423 ( -0.000 4.947 3.042) 5.808 21.191 ( 0.000 -16.443 -2.944) 16.705 22.137 ( -0.000 -2.803 13.246) 13.539 24.664 ( -0.000 15.641 9.015) 18.053 25.382 ( 0.000 -4.385 -13.367) 14.068 26.174 ( -0.000 4.679 -0.898) 4.764 28.306 ( -0.000 -0.165 1.706) 1.714 28.696 ( -0.000 -0.268 4.846) 4.854 30.212 ( -0.000 5.254 0.352) 5.266 30.331 ( -0.000 6.128 11.264) 12.823 34.834 ( 0.000 -22.958 -17.685) 28.980 34.892 ( -0.000 -8.497 27.141) 28.440 36.810 ( 0.000 9.731 -27.965) 29.610 38.563 ( -0.000 5.829 -0.316) 5.837 40.575 ( -0.000 -1.190 15.245) 15.292 41.227 ( -0.000 4.601 3.122) 5.560 ======================= Grid point 321 (105/189) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -0.000 -0.000 48.946) 48.946 1.930 ( -0.000 -0.000 48.946) 48.946 2.952 ( -0.000 -0.000 71.082) 71.082 5.917 ( 0.000 0.000 -5.365) 5.365 7.091 ( 0.000 0.000 -16.350) 16.350 7.091 ( -0.000 0.000 -16.350) 16.350 9.269 ( 0.000 0.000 -5.916) 5.916 10.074 ( 0.000 0.000 8.875) 8.875 10.074 ( -0.000 0.000 8.875) 8.875 10.994 ( 0.000 0.000 0.352) 0.352 10.994 ( -0.000 0.000 0.352) 0.352 11.162 ( 0.000 0.000 -7.086) 7.086 19.191 ( -0.000 -0.000 3.376) 3.376 19.191 ( -0.000 -0.000 3.376) 3.376 20.276 ( 0.000 0.000 -4.234) 4.234 20.276 ( -0.000 0.000 -4.234) 4.234 23.580 ( -0.000 -0.000 4.434) 4.434 25.192 ( -0.000 -0.000 9.598) 9.598 25.192 ( -0.000 0.000 9.598) 9.598 25.241 ( 0.000 0.000 -6.439) 6.439 28.333 ( 0.000 0.000 -13.595) 13.595 28.333 ( 0.000 0.000 -13.595) 13.595 28.847 ( -0.000 -0.000 6.701) 6.701 30.413 ( 0.000 0.000 -7.626) 7.626 34.199 ( -0.000 -0.000 19.403) 19.403 34.199 ( -0.000 0.000 19.403) 19.403 38.484 ( 0.000 0.000 -13.911) 13.911 38.484 ( 0.000 0.000 -13.911) 13.911 39.952 ( -0.000 -0.000 5.835) 5.835 41.299 ( 0.000 0.000 -5.257) 5.257 ======================= Grid point 322 (106/189) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 11.254 6.498 42.058) 44.020 2.473 ( 15.296 8.831 44.299) 47.690 3.702 ( 26.592 15.353 59.093) 66.594 5.811 ( -6.287 -3.630 -4.924) 8.772 6.767 ( -9.377 -5.414 -19.214) 22.055 7.092 ( 0.482 0.278 -14.745) 14.756 9.246 ( 1.221 0.705 -5.526) 5.703 9.873 ( -11.404 -6.584 5.200) 14.158 10.375 ( 10.245 5.915 12.223) 17.010 10.796 ( -7.594 -4.384 -4.445) 9.831 11.016 ( -3.024 -1.746 -3.324) 4.821 11.271 ( 8.613 4.973 -0.871) 9.983 19.007 ( -18.862 -10.890 17.661) 28.041 19.124 ( -7.175 -4.143 3.682) 9.067 20.203 ( 2.902 1.676 -8.205) 8.863 20.291 ( -1.147 -0.662 7.292) 7.411 22.863 ( -33.605 -19.402 19.226) 43.306 24.990 ( -11.349 -6.552 -4.097) 13.730 25.299 ( 0.895 0.517 5.168) 5.270 25.942 ( 28.869 16.668 -0.714) 33.343 28.154 ( -4.851 -2.801 -9.571) 11.089 28.256 ( 3.158 1.823 -15.666) 16.084 29.340 ( 30.113 17.386 -10.492) 36.320 30.308 ( -4.771 -2.755 -8.062) 9.765 34.241 ( -0.240 -0.138 18.677) 18.679 34.597 ( 15.256 8.808 20.347) 26.914 38.194 ( -18.050 -10.421 0.603) 20.851 38.268 ( -6.519 -3.764 -18.180) 19.677 40.149 ( 11.989 6.922 -2.793) 14.123 41.247 ( -1.312 -0.757 -5.994) 6.183 ======================= Grid point 323 (107/189) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 17.522 10.116 31.681) 37.591 3.114 ( 18.338 10.587 36.107) 41.858 4.734 ( 33.089 19.104 41.571) 56.462 5.595 ( -9.373 -5.411 -3.996) 11.537 6.458 ( -7.273 -4.199 -17.794) 19.676 6.929 ( -7.280 -4.203 -11.689) 14.398 9.254 ( 1.836 1.060 -3.446) 4.046 9.660 ( -8.135 -4.697 1.104) 9.459 10.604 ( -5.296 -3.058 -9.235) 11.076 10.637 ( 4.370 2.523 9.207) 10.499 10.949 ( 0.436 0.252 0.568) 0.759 11.420 ( 3.693 2.132 1.287) 4.455 18.724 ( -18.545 -10.707 32.476) 38.901 18.939 ( -10.868 -6.275 4.690) 13.397 20.258 ( 6.549 3.781 -12.641) 14.730 20.384 ( 3.387 1.956 13.624) 14.175 22.541 ( -5.857 -3.382 9.748) 11.865 24.649 ( -14.080 -8.129 -12.044) 20.233 25.337 ( -1.136 -0.656 8.922) 9.018 26.330 ( 6.711 3.875 5.228) 9.348 28.027 ( -1.059 -0.611 -10.428) 10.499 28.279 ( 7.145 4.125 -15.205) 17.299 29.842 ( 20.481 11.825 -13.747) 27.355 30.109 ( -7.906 -4.565 -7.279) 11.675 34.417 ( 5.484 3.166 17.512) 18.622 35.083 ( 15.633 9.026 19.607) 26.651 37.827 ( -16.456 -9.501 9.852) 21.403 37.959 ( -9.504 -5.487 -22.057) 24.637 40.382 ( 11.154 6.440 -6.735) 14.534 41.168 ( -1.995 -1.152 -6.637) 7.026 ======================= Grid point 324 (108/189) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.491 ( 18.904 10.914 21.954) 30.959 3.742 ( 19.150 11.056 27.203) 35.056 5.379 ( -7.285 -4.206 -2.619) 8.810 5.589 ( 21.419 12.366 24.137) 34.558 6.216 ( -5.390 -3.112 -12.775) 14.210 6.631 ( -12.799 -7.389 -8.392) 16.995 9.282 ( 1.995 1.152 0.348) 2.329 9.580 ( 2.209 1.276 -1.207) 2.822 10.449 ( -1.990 -1.149 -13.409) 13.604 10.617 ( -5.241 -3.026 -2.430) 6.521 11.106 ( 6.336 3.658 12.694) 14.651 11.438 ( -2.886 -1.666 1.763) 3.770 18.586 ( -13.073 -7.548 34.886) 38.012 18.712 ( -12.161 -7.021 6.566) 15.502 20.291 ( 4.106 2.370 -17.719) 18.342 20.601 ( 7.130 4.117 16.053) 18.041 22.624 ( 8.364 4.829 2.698) 10.027 24.217 ( -15.001 -8.661 -19.038) 25.739 25.381 ( -0.059 -0.034 10.775) 10.775 26.387 ( -4.334 -2.502 7.707) 9.189 27.972 ( 1.708 0.986 -8.820) 9.038 28.353 ( 6.447 3.722 -13.406) 15.334 29.895 ( -6.537 -3.774 -5.064) 9.090 30.111 ( 10.508 6.067 -9.324) 15.302 34.698 ( 9.520 5.496 16.500) 19.826 35.523 ( 11.672 6.739 19.623) 23.805 37.563 ( -12.141 -7.010 -25.345) 28.964 37.587 ( -10.972 -6.335 12.790) 18.003 40.571 ( 9.504 5.487 -6.843) 12.933 41.079 ( -1.946 -1.123 -7.238) 7.579 ======================= Grid point 325 (109/189) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.023 ( 18.100 10.450 13.451) 24.855 4.309 ( 17.672 10.203 18.931) 27.835 5.227 ( -5.717 -3.300 -1.970) 6.889 5.887 ( -6.574 -3.796 7.186) 10.453 6.076 ( -1.405 -0.811 -4.378) 4.669 6.322 ( -7.649 -4.416 -3.897) 9.654 9.370 ( 6.569 3.793 -4.415) 8.777 9.764 ( 12.624 7.288 6.254) 15.862 10.343 ( 0.818 0.473 -15.865) 15.893 10.451 ( -6.975 -4.027 -4.991) 9.475 11.173 ( -9.778 -5.645 3.609) 11.853 11.441 ( 3.324 1.919 12.955) 13.512 18.474 ( -13.275 -7.664 8.751) 17.650 18.550 ( -9.277 -5.356 31.999) 33.744 20.199 ( -0.969 -0.560 -22.508) 22.536 20.891 ( 8.893 5.134 16.664) 19.574 22.910 ( 15.554 8.980 -0.465) 17.966 23.751 ( -13.792 -7.963 -23.650) 28.512 25.483 ( 3.048 1.759 10.919) 11.472 26.260 ( -10.417 -6.014 6.411) 13.630 27.999 ( 4.620 2.667 -4.771) 7.157 28.360 ( 0.731 0.422 -11.168) 11.200 29.792 ( -0.123 -0.071 -2.238) 2.242 30.224 ( 3.796 2.192 -4.753) 6.466 35.042 ( 11.364 6.561 15.980) 20.678 35.827 ( 3.696 2.134 18.942) 19.417 37.100 ( -13.656 -7.884 -27.634) 31.816 37.507 ( -3.319 -1.916 14.095) 14.607 40.727 ( 7.931 4.579 -5.970) 10.932 40.992 ( -1.415 -0.817 -7.913) 8.080 ======================= Grid point 326 (110/189) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.455 ( 13.039 7.528 4.890) 15.830 4.753 ( 12.442 7.183 10.663) 17.891 5.073 ( -5.817 -3.358 -0.354) 6.726 5.509 ( -23.296 -13.450 0.665) 26.909 6.121 ( 4.838 2.793 4.925) 7.447 6.223 ( -1.632 -0.942 -1.886) 2.666 9.499 ( 8.755 5.055 -10.129) 14.311 10.127 ( 10.626 6.135 -3.205) 12.681 10.235 ( -9.281 -5.358 -6.860) 12.724 10.335 ( 9.675 5.586 -2.840) 11.527 10.845 ( -17.811 -10.283 0.676) 20.577 11.623 ( 2.728 1.575 16.711) 17.006 18.215 ( -15.020 -8.672 9.896) 19.968 18.563 ( -6.358 -3.671 27.828) 28.780 19.978 ( -4.624 -2.669 -24.747) 25.316 21.192 ( 8.122 4.689 15.451) 18.074 23.291 ( 18.398 10.622 -2.334) 21.372 23.307 ( -11.662 -6.733 -25.129) 28.509 25.647 ( 5.494 3.172 9.094) 11.088 26.021 ( -13.412 -7.744 5.248) 16.352 28.120 ( 7.710 4.452 -1.343) 9.004 28.269 ( -2.573 -1.485 -7.171) 7.762 29.847 ( 5.117 2.955 -1.149) 6.020 30.238 ( -0.571 -0.329 -1.313) 1.469 35.394 ( 10.432 6.023 15.360) 19.520 35.910 ( -6.435 -3.715 17.473) 18.987 36.617 ( -12.799 -7.390 -27.823) 31.505 37.619 ( 4.829 2.788 14.516) 15.550 40.856 ( 6.560 3.788 -4.909) 9.027 40.914 ( -0.816 -0.471 -8.796) 8.846 ======================= Grid point 327 (111/189) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.476 ( -12.056 -6.960 -1.989) 14.062 4.856 ( -18.484 -10.671 -0.052) 21.343 5.068 ( -4.053 -2.340 3.975) 6.140 5.157 ( 12.456 7.192 3.542) 14.813 6.255 ( 5.881 3.396 0.476) 6.808 6.296 ( 4.581 2.645 10.088) 11.391 9.641 ( 10.028 5.789 -11.762) 16.505 9.908 ( -15.689 -9.058 -8.364) 19.954 10.129 ( 1.804 1.042 -18.109) 18.229 10.471 ( -14.135 -8.161 1.679) 16.407 10.736 ( 16.313 9.418 9.724) 21.198 11.752 ( -0.970 -0.560 16.882) 16.919 17.915 ( -16.957 -9.790 9.423) 21.730 18.614 ( -3.604 -2.081 23.512) 23.878 19.713 ( -4.814 -2.779 -22.501) 23.178 21.428 ( 4.302 2.484 12.675) 13.614 22.912 ( -9.462 -5.463 -23.946) 26.321 23.691 ( 18.562 10.717 -4.415) 21.884 25.749 ( -13.328 -7.695 6.487) 16.701 25.824 ( 5.524 3.189 5.830) 8.641 28.198 ( -0.504 -0.291 -2.003) 2.086 28.316 ( 9.667 5.581 -0.399) 11.169 29.974 ( 6.489 3.746 -2.107) 7.783 30.196 ( -2.756 -1.591 1.125) 3.376 35.648 ( 2.971 1.715 6.164) 7.054 35.780 ( -13.961 -8.061 16.524) 23.085 36.234 ( -5.204 -3.005 -17.333) 18.345 37.873 ( 9.038 5.218 13.007) 16.676 40.841 ( -0.434 -0.251 -9.968) 9.981 40.964 ( 5.568 3.215 -3.943) 7.542 ======================= Grid point 328 (112/189) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.066 ( -22.382 -12.922 2.159) 25.934 4.264 ( -29.348 -16.944 2.417) 33.974 5.105 ( 2.917 1.684 0.078) 3.369 5.485 ( 12.332 7.120 0.483) 14.248 6.360 ( -5.903 -3.408 9.406) 11.616 6.480 ( 12.092 6.982 2.125) 14.124 9.501 ( -13.373 -7.721 -5.252) 16.311 9.805 ( 10.975 6.336 -11.805) 17.319 10.045 ( 1.118 0.645 -17.352) 17.400 10.240 ( -7.994 -4.616 1.802) 9.405 11.098 ( 10.872 6.277 5.820) 13.837 11.789 ( -5.017 -2.897 16.014) 17.030 17.579 ( -17.731 -10.237 9.858) 22.723 18.696 ( -1.173 -0.677 19.139) 19.186 19.503 ( -2.440 -1.409 -16.539) 16.777 21.524 ( -2.236 -1.291 9.032) 9.394 22.580 ( -7.199 -4.157 -21.109) 22.687 24.064 ( 17.501 10.104 -6.972) 21.378 25.527 ( -10.435 -6.024 9.806) 15.535 25.963 ( 4.419 2.551 2.899) 5.869 28.221 ( 2.223 1.283 1.482) 2.964 28.527 ( 8.879 5.126 -1.566) 10.372 30.104 ( 6.734 3.888 -3.925) 8.710 30.145 ( -2.274 -1.313 2.462) 3.599 35.513 ( -7.386 -4.264 -19.405) 21.197 35.515 ( -18.264 -10.545 16.417) 26.727 36.262 ( 5.757 3.324 11.253) 13.070 38.159 ( 9.364 5.406 9.636) 14.483 40.766 ( -0.324 -0.187 -11.433) 11.439 41.060 ( 4.974 2.872 -3.245) 6.597 ======================= Grid point 329 (113/189) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.527 ( -27.883 -16.098 8.766) 33.368 3.596 ( -32.137 -18.555 7.109) 37.784 5.225 ( 8.091 4.671 -0.241) 9.345 5.487 ( -21.448 -12.383 6.358) 25.568 6.270 ( 3.276 1.892 -2.437) 4.500 6.783 ( 13.035 7.526 1.487) 15.125 9.324 ( -0.974 -0.562 -0.548) 1.251 9.910 ( 1.784 1.030 -13.344) 13.502 10.042 ( 10.694 6.174 -12.588) 17.634 10.114 ( -4.533 -2.617 3.243) 6.158 11.296 ( 4.769 2.754 1.541) 5.719 11.730 ( -8.565 -4.945 14.345) 17.424 17.273 ( -15.525 -8.964 16.469) 24.344 18.799 ( 0.699 0.403 14.722) 14.744 19.403 ( 0.936 0.541 -9.536) 9.597 21.437 ( -9.338 -5.391 5.554) 12.129 22.320 ( -4.932 -2.848 -17.559) 18.459 24.390 ( 15.812 9.129 -9.056) 20.381 25.409 ( -6.470 -3.736 12.978) 14.975 26.071 ( 4.146 2.394 1.546) 5.031 28.285 ( 1.954 1.128 1.265) 2.586 28.671 ( 4.844 2.797 -3.350) 6.520 30.141 ( 0.906 0.523 2.043) 2.295 30.231 ( 7.234 4.177 -6.124) 10.358 35.182 ( -20.173 -11.647 16.878) 28.765 35.207 ( -6.577 -3.797 -24.901) 26.034 36.504 ( 5.959 3.440 20.797) 21.906 38.401 ( 7.637 4.409 5.187) 10.231 40.680 ( -0.433 -0.250 -13.178) 13.187 41.149 ( 4.562 2.634 -2.953) 6.039 ======================= Grid point 334 (114/189) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( -0.000 16.015 40.355) 43.417 2.752 ( -0.000 16.772 44.627) 47.675 4.038 ( -0.000 22.606 56.784) 61.119 5.789 ( 0.000 -5.912 -4.322) 7.323 6.597 ( 0.000 -15.177 -20.421) 25.443 7.023 ( 0.000 4.888 -17.633) 18.298 9.210 ( 0.000 1.105 -4.666) 4.795 9.945 ( 0.000 -11.559 6.318) 13.173 10.406 ( -0.000 7.509 12.387) 14.485 10.674 ( 0.000 -17.748 -4.254) 18.250 11.094 ( 0.000 2.622 -9.606) 9.958 11.269 ( -0.000 15.025 2.975) 15.316 19.059 ( -0.000 -16.906 10.690) 20.002 19.239 ( -0.000 -0.530 6.813) 6.834 19.988 ( 0.000 -12.896 -0.028) 12.896 20.467 ( -0.000 16.024 -4.738) 16.710 22.861 ( 0.000 -51.563 19.087) 54.982 24.986 ( 0.000 -12.823 -7.698) 14.956 25.513 ( -0.000 9.697 12.454) 15.784 25.846 ( -0.000 31.313 0.310) 31.315 28.040 ( 0.000 -3.686 -15.122) 15.565 28.228 ( 0.000 6.461 -15.574) 16.861 29.249 ( -0.000 24.889 -4.728) 25.334 30.265 ( 0.000 -3.560 -8.766) 9.461 34.364 ( -0.000 -2.457 18.816) 18.976 34.738 ( -0.000 16.383 26.543) 31.192 38.020 ( 0.000 -17.747 -11.248) 21.011 38.363 ( 0.000 3.126 -16.094) 16.395 40.088 ( -0.000 3.429 2.010) 3.975 41.205 ( 0.000 -1.791 -6.709) 6.943 ======================= Grid point 335 (115/189) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( 3.686 19.126 34.053) 39.230 3.266 ( 7.723 16.349 38.883) 42.882 4.779 ( 18.603 25.053 43.151) 53.251 5.643 ( -6.169 -7.163 -3.530) 10.091 6.313 ( -0.644 -13.052 -19.127) 23.165 6.912 ( -3.433 -0.337 -16.655) 17.008 9.213 ( 1.634 1.638 -2.665) 3.529 9.775 ( -9.260 -8.706 4.210) 13.389 10.456 ( -0.383 -18.029 -6.522) 19.176 10.624 ( 7.116 2.585 11.605) 13.856 11.025 ( -3.030 5.608 -7.885) 10.139 11.455 ( 1.078 12.517 2.398) 12.790 18.907 ( -6.068 -18.474 15.984) 25.171 19.187 ( -11.242 0.582 12.113) 16.536 19.988 ( 9.943 -6.518 -1.177) 11.948 20.574 ( -2.311 16.321 -2.779) 16.717 22.506 ( -0.927 -31.934 15.147) 35.357 24.688 ( -10.704 -13.990 -11.403) 20.984 25.562 ( -9.958 10.923 12.122) 19.116 26.254 ( 11.943 9.397 5.168) 16.051 27.941 ( 1.421 -0.133 -14.870) 14.939 28.184 ( -0.114 8.620 -15.610) 17.833 29.587 ( 15.442 17.334 -9.051) 24.916 30.131 ( -4.852 -3.797 -8.150) 10.217 34.481 ( 2.965 -1.159 18.909) 19.175 35.154 ( 7.524 16.862 26.634) 32.409 37.764 ( -3.069 -14.465 -11.371) 18.653 38.154 ( -14.194 2.420 -12.995) 19.395 40.209 ( 9.465 1.559 -1.181) 9.665 41.131 ( -0.914 -2.398 -7.318) 7.755 ======================= Grid point 336 (116/189) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.563 ( 7.043 17.481 26.595) 32.596 3.801 ( 11.112 15.234 30.108) 35.525 5.424 ( -5.324 -5.023 -1.815) 7.542 5.570 ( 16.617 17.940 24.136) 34.359 6.098 ( 0.613 -10.017 -12.947) 16.381 6.691 ( -7.953 -4.548 -13.745) 16.519 9.258 ( 2.213 1.070 0.443) 2.498 9.598 ( -4.485 -3.138 2.638) 6.077 10.241 ( 1.452 -17.095 -9.127) 19.433 10.717 ( -3.419 2.662 -2.220) 4.868 11.104 ( 7.097 4.534 6.565) 10.679 11.543 ( -4.842 8.514 1.536) 9.914 18.724 ( -6.581 -17.953 17.064) 25.628 19.080 ( -14.626 2.356 20.550) 25.333 20.098 ( 7.938 0.028 -8.739) 11.806 20.697 ( 0.922 12.382 2.983) 12.770 22.434 ( 10.961 -15.869 7.583) 20.724 24.244 ( -14.279 -13.192 -17.543) 26.185 25.576 ( -8.636 8.814 12.506) 17.568 26.439 ( 1.565 -2.280 7.827) 8.301 27.891 ( 1.783 1.988 -11.651) 11.953 28.217 ( 4.861 7.992 -14.621) 17.357 29.905 ( 10.392 6.474 -7.849) 14.543 29.955 ( -3.633 0.014 -6.768) 7.681 34.690 ( 8.203 -0.104 18.721) 20.440 35.610 ( 7.252 15.081 25.431) 30.443 37.478 ( -6.838 -9.378 -18.162) 21.554 37.842 ( -15.362 -0.370 -3.626) 15.789 40.390 ( 11.399 1.545 -3.748) 12.098 41.040 ( -1.221 -2.387 -7.880) 8.324 ======================= Grid point 337 (117/189) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.999 ( 9.257 13.466 18.965) 25.034 4.310 ( 12.274 14.436 20.878) 28.195 5.269 ( -4.944 -3.095 -2.804) 6.471 5.939 ( 5.082 -9.679 -2.228) 11.156 6.002 ( -1.687 4.042 5.108) 6.729 6.425 ( -8.582 -1.992 -8.450) 12.207 9.290 ( 2.305 -0.052 -2.038) 3.077 9.682 ( 9.228 5.096 7.464) 12.916 10.063 ( 4.263 -16.150 -10.165) 19.553 10.617 ( -8.097 6.414 -8.704) 13.507 11.309 ( 1.531 0.745 9.849) 9.995 11.498 ( -5.134 4.166 3.430) 7.449 18.552 ( -6.270 -16.228 15.640) 23.394 18.999 ( -16.004 3.225 26.498) 31.124 20.087 ( -0.674 2.012 -18.710) 18.830 20.902 ( 6.988 7.609 9.166) 13.811 22.629 ( 19.769 -5.899 2.144) 20.742 23.754 ( -14.233 -9.921 -22.819) 28.666 25.614 ( -4.975 6.837 12.267) 14.899 26.388 ( -6.744 -7.094 6.557) 11.781 27.907 ( 4.472 2.598 -6.596) 8.382 28.271 ( 3.204 4.460 -12.495) 13.649 29.814 ( -3.489 0.771 -2.352) 4.277 30.114 ( 8.194 3.862 -6.042) 10.889 34.983 ( 12.103 0.018 18.355) 21.986 35.983 ( 1.994 11.487 23.655) 26.372 37.091 ( -13.211 -5.242 -26.936) 30.456 37.644 ( -6.981 -1.826 6.336) 9.603 40.567 ( 10.508 1.920 -4.548) 11.609 40.948 ( -1.037 -1.760 -8.484) 8.726 ======================= Grid point 338 (118/189) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.374 ( 10.045 9.018 11.567) 17.777 4.733 ( 9.131 10.596 11.621) 18.185 5.143 ( -5.398 -1.594 -0.991) 5.715 5.700 ( -14.693 -15.160 -2.061) 21.212 6.057 ( 5.737 1.118 2.976) 6.559 6.285 ( -5.246 1.406 -3.642) 6.539 9.342 ( 6.430 1.544 -6.869) 9.535 9.862 ( 6.242 -13.144 -10.579) 17.991 10.110 ( 15.605 5.345 11.263) 19.974 10.474 ( -9.667 8.121 -10.447) 16.388 11.136 ( -19.796 0.854 0.465) 19.820 11.636 ( 7.126 -1.259 13.341) 15.177 18.379 ( -8.739 -13.649 14.494) 21.743 18.932 ( -15.146 2.139 27.793) 31.724 19.897 ( -5.851 -0.209 -23.154) 23.883 21.174 ( 9.498 5.292 10.191) 14.902 22.968 ( 21.851 -1.432 -2.878) 22.086 23.308 ( -11.273 -3.503 -23.478) 26.279 25.699 ( -0.316 4.727 10.466) 11.488 26.186 ( -11.209 -8.798 5.049) 15.117 28.008 ( 7.460 2.561 -2.366) 8.234 28.246 ( -0.732 1.211 -8.738) 8.852 29.820 ( 1.727 4.262 -0.173) 4.602 30.202 ( 3.311 0.758 -3.231) 4.688 35.313 ( 13.300 -1.408 17.636) 22.134 36.169 ( -7.147 6.166 20.064) 22.173 36.622 ( -15.206 -3.647 -27.375) 31.527 37.654 ( 2.478 0.937 9.568) 9.928 40.722 ( 8.726 1.883 -4.553) 10.021 40.866 ( -0.633 -0.447 -9.126) 9.159 ======================= Grid point 339 (119/189) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.577 ( -3.096 0.985 2.678) 4.211 4.877 ( 2.650 -3.997 3.955) 6.216 5.095 ( -8.508 -6.003 2.229) 10.648 5.306 ( -9.662 2.491 1.068) 10.035 6.177 ( 4.183 0.896 -2.910) 5.174 6.311 ( 6.358 4.104 9.024) 11.777 9.446 ( 9.249 2.641 -9.189) 13.302 9.720 ( 4.116 -16.843 -11.992) 21.081 10.237 ( -13.459 6.075 -10.955) 18.387 10.571 ( 12.136 4.349 9.215) 15.847 10.809 ( -16.774 6.381 0.996) 17.975 11.801 ( 4.525 -4.106 14.241) 15.497 18.154 ( -14.036 -11.130 12.708) 21.963 18.883 ( -10.990 -0.503 24.459) 26.820 19.644 ( -5.938 -0.826 -19.616) 20.511 21.429 ( 7.872 3.832 7.977) 11.845 22.861 ( -9.132 -5.162 -23.946) 26.143 23.420 ( 20.454 7.297 -4.445) 22.167 25.804 ( 1.164 -0.203 6.727) 6.830 25.942 ( -10.480 -5.946 6.371) 13.629 28.137 ( 5.142 -0.703 -2.778) 5.887 28.232 ( 4.340 3.607 -1.394) 5.813 29.920 ( 3.927 5.289 -0.624) 6.617 30.211 ( -0.238 -0.865 -1.058) 1.387 35.576 ( 7.351 -5.225 11.475) 14.595 36.072 ( -13.242 -2.911 -4.806) 14.385 36.276 ( -10.804 3.934 2.574) 11.783 37.838 ( 8.574 2.911 9.421) 13.067 40.776 ( 0.411 -0.388 -9.604) 9.621 40.868 ( 6.087 3.184 -4.601) 8.268 ======================= Grid point 340 (120/189) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.326 ( -19.094 -8.825 3.171) 21.273 4.594 ( -24.622 -13.324 1.875) 28.059 5.002 ( 6.568 -4.980 2.631) 8.652 5.443 ( 5.352 13.992 -0.636) 14.994 6.306 ( 10.412 1.148 -0.418) 10.484 6.508 ( 1.544 3.793 10.515) 11.285 9.505 ( -1.639 -13.155 -8.909) 15.972 9.601 ( 10.447 3.493 -10.319) 15.094 9.961 ( -11.181 -0.588 -9.814) 14.889 10.491 ( -14.027 7.374 -2.181) 15.997 11.010 ( 11.448 6.314 7.308) 14.978 11.881 ( 0.418 -6.467 13.709) 15.164 17.855 ( -17.473 -9.304 11.144) 22.717 18.860 ( -5.118 -3.937 17.935) 19.062 19.466 ( -4.602 2.288 -9.212) 10.549 21.594 ( 2.398 2.887 4.648) 5.974 22.519 ( -8.516 -3.815 -21.673) 23.597 23.804 ( 19.137 8.576 -6.992) 22.105 25.678 ( -8.786 -8.839 8.382) 15.019 25.951 ( 2.370 2.459 4.442) 5.604 28.173 ( 3.797 -1.376 -0.167) 4.042 28.406 ( 9.274 4.021 -0.536) 10.123 30.030 ( 4.190 4.514 -2.492) 6.644 30.178 ( -1.630 -1.079 0.223) 1.967 35.477 ( -9.107 -4.873 -15.470) 18.601 35.812 ( -12.164 -8.052 8.787) 17.029 36.320 ( 0.584 5.867 18.082) 19.019 38.082 ( 10.476 2.019 6.558) 12.523 40.707 ( -0.890 1.352 -11.205) 11.322 40.976 ( 5.747 2.954 -3.703) 7.447 ======================= Grid point 341 (121/189) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.867 ( -24.989 -14.641 8.338) 30.138 4.051 ( -29.399 -9.057 7.463) 31.655 5.099 ( 8.235 -1.334 1.081) 8.412 5.643 ( 2.368 7.822 -1.347) 8.283 6.349 ( -9.172 -7.678 6.833) 13.776 6.640 ( 9.664 7.092 -1.527) 12.084 9.325 ( -1.617 -3.895 -3.718) 5.622 9.763 ( 1.821 -1.900 -7.897) 8.324 9.799 ( 9.659 2.746 -9.924) 14.118 10.349 ( -11.453 10.001 -1.433) 15.272 11.237 ( 6.632 1.984 2.696) 7.429 11.860 ( -3.890 -8.423 12.406) 15.491 17.563 ( -15.568 -7.213 15.029) 22.809 18.859 ( 0.274 -7.108 11.708) 13.700 19.417 ( -3.814 7.213 1.073) 8.229 21.603 ( -6.782 1.438 1.162) 7.029 22.238 ( -4.994 -3.173 -17.898) 18.851 24.141 ( 16.981 8.577 -9.580) 21.300 25.537 ( -5.793 -7.430 11.789) 15.091 26.043 ( 3.289 1.998 2.631) 4.662 28.234 ( 4.380 -1.853 0.296) 4.765 28.576 ( 7.124 3.002 -2.502) 8.125 30.102 ( 3.005 -0.458 -2.708) 4.071 30.172 ( 1.499 3.536 -1.624) 4.170 35.142 ( -10.089 -3.908 -20.674) 23.334 35.552 ( -18.266 -6.825 14.252) 24.153 36.558 ( 6.111 2.743 22.027) 23.023 38.294 ( 10.166 -0.772 2.028) 10.395 40.632 ( -1.918 3.375 -12.317) 12.915 41.072 ( 5.053 2.713 -3.534) 6.737 ======================= Grid point 347 (122/189) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.471 ( -0.000 20.156 29.662) 35.863 3.636 ( -0.000 18.464 38.158) 42.391 5.134 ( -0.000 26.844 34.953) 44.072 5.609 ( 0.000 -7.972 -1.457) 8.104 6.049 ( 0.000 -12.806 -19.395) 23.241 6.814 ( 0.000 -3.147 -18.263) 18.532 9.207 ( -0.000 2.013 -0.169) 2.020 9.791 ( 0.000 -10.526 3.926) 11.235 10.235 ( 0.000 -19.186 -6.675) 20.314 10.652 ( -0.000 0.514 13.674) 13.683 11.022 ( 0.000 4.362 -11.880) 12.655 11.624 ( -0.000 16.633 2.618) 16.838 18.865 ( -0.000 -18.966 14.207) 23.697 19.398 ( -0.000 5.020 12.544) 13.512 19.842 ( -0.000 -4.038 2.712) 4.864 20.716 ( -0.000 16.540 -8.395) 18.549 22.251 ( 0.000 -34.717 15.553) 38.041 24.552 ( 0.000 -17.743 -12.355) 21.621 25.867 ( -0.000 7.582 15.435) 17.196 26.258 ( -0.000 8.494 4.909) 9.811 27.843 ( 0.000 5.398 -17.438) 18.254 28.178 ( 0.000 7.827 -15.328) 17.211 29.577 ( -0.000 16.334 -6.774) 17.683 30.090 ( 0.000 -2.572 -7.855) 8.266 34.542 ( -0.000 -3.926 18.840) 19.245 35.464 ( -0.000 20.254 29.516) 35.797 37.589 ( 0.000 -10.438 -13.399) 16.985 38.203 ( 0.000 2.602 -17.770) 17.960 40.126 ( -0.000 -1.738 2.706) 3.216 41.063 ( 0.000 -3.177 -7.748) 8.374 ======================= Grid point 348 (123/189) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.855 ( 1.893 18.806 24.776) 31.163 4.045 ( 1.692 16.147 32.194) 36.056 5.451 ( -5.324 -5.282 -2.175) 7.808 5.631 ( 9.114 8.712 10.131) 16.174 5.920 ( 4.344 2.967 -3.061) 6.087 6.625 ( -2.761 -7.169 -16.825) 18.496 9.249 ( 1.320 1.551 3.155) 3.756 9.661 ( -5.094 -7.310 3.268) 9.490 10.001 ( -0.180 -18.248 -7.484) 19.724 10.752 ( 1.088 -0.630 6.117) 6.245 11.035 ( 5.441 3.810 -4.673) 8.121 11.759 ( -4.573 14.624 1.392) 15.386 18.735 ( -3.901 -18.507 14.712) 23.961 19.448 ( -9.927 5.901 18.178) 21.536 19.935 ( 8.382 1.925 -1.350) 8.706 20.806 ( -0.050 13.610 -8.152) 15.864 22.106 ( 8.510 -25.684 12.204) 29.682 24.202 ( -9.676 -16.729 -15.671) 24.881 25.925 ( -10.054 7.597 14.215) 18.996 26.397 ( 5.152 -2.353 6.161) 8.369 27.822 ( 1.152 7.500 -14.260) 16.153 28.161 ( 1.084 7.882 -14.269) 16.337 29.758 ( 8.902 10.373 -6.387) 15.088 29.991 ( -4.062 -0.532 -6.030) 7.290 34.666 ( 5.447 -4.515 19.236) 20.496 35.875 ( 2.626 19.381 28.579) 34.630 37.382 ( -3.881 -6.157 -17.063) 18.551 38.017 ( -10.342 1.210 -14.093) 17.522 40.201 ( 8.546 -2.041 1.765) 8.962 40.976 ( -0.494 -3.177 -8.002) 8.624 ======================= Grid point 349 (124/189) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.194 ( 1.327 14.813 21.022) 25.751 4.429 ( 5.940 14.365 21.969) 26.912 5.300 ( -4.248 -2.302 -4.020) 6.286 5.696 ( 7.023 -11.091 -5.539) 14.248 6.136 ( -2.147 9.216 3.962) 10.258 6.418 ( -1.512 -3.484 -10.459) 11.127 9.271 ( -1.401 -2.113 2.040) 3.254 9.639 ( 4.675 0.197 5.751) 7.414 9.800 ( 2.294 -14.608 -6.081) 15.989 10.728 ( -4.622 4.803 -6.631) 9.403 11.217 ( 11.600 -2.602 8.099) 14.385 11.755 ( -11.293 11.144 -0.442) 15.872 18.582 ( -4.547 -17.108 16.011) 23.868 19.439 ( -12.503 4.770 21.873) 25.642 20.031 ( 0.566 5.685 -10.561) 12.007 20.909 ( 4.476 8.680 -2.751) 10.146 22.201 ( 19.196 -16.388 7.786) 26.414 23.747 ( -12.992 -11.649 -19.715) 26.328 25.901 ( -10.113 6.145 12.695) 17.355 26.417 ( -1.121 -7.825 4.519) 9.105 27.840 ( 2.021 5.714 -7.915) 9.969 28.192 ( 3.183 6.848 -12.638) 14.723 29.880 ( -3.618 2.015 -2.256) 4.716 29.969 ( 8.539 5.273 -5.630) 11.507 34.881 ( 10.625 -4.719 19.339) 22.564 36.258 ( 0.717 15.941 25.541) 30.115 37.098 ( -10.306 -1.745 -23.557) 25.772 37.774 ( -9.103 -1.267 -4.847) 10.391 40.367 ( 11.321 -0.803 -0.325) 11.354 40.888 ( -0.554 -2.270 -8.167) 8.495 ======================= Grid point 350 (125/189) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.460 ( 2.002 9.805 16.320) 19.144 4.781 ( 6.529 11.106 11.393) 17.197 5.207 ( -3.664 0.516 -1.612) 4.036 5.646 ( 1.242 -13.023 -3.225) 13.474 6.047 ( -2.260 -1.417 -1.768) 3.200 6.347 ( -5.233 1.565 -5.838) 7.994 9.243 ( 1.628 -1.229 -2.298) 3.072 9.591 ( 2.430 -13.568 -8.923) 16.421 9.984 ( 15.252 5.915 13.075) 20.942 10.631 ( -7.589 7.568 -10.108) 14.732 11.398 ( 1.966 -4.044 9.745) 10.732 11.624 ( -8.701 5.451 -0.190) 10.269 18.453 ( -4.834 -15.065 17.428) 23.538 19.374 ( -14.488 1.236 18.187) 23.285 19.919 ( -9.503 5.601 -13.506) 17.438 21.097 ( 9.807 5.019 0.476) 11.027 22.506 ( 25.497 -8.991 3.771) 27.298 23.326 ( -11.554 -3.372 -21.230) 24.404 25.877 ( -6.918 3.704 10.444) 13.064 26.277 ( -7.095 -9.641 2.680) 12.267 27.914 ( 4.956 3.911 -2.283) 6.713 28.209 ( 0.767 3.880 -9.968) 10.723 29.863 ( -1.058 4.695 0.680) 4.860 30.107 ( 6.401 1.924 -3.958) 7.768 35.164 ( 13.564 -5.414 19.160) 24.091 36.460 ( -7.550 6.767 6.725) 12.166 36.743 ( -14.318 4.379 -11.930) 19.144 37.668 ( -0.131 -1.251 1.499) 1.957 40.548 ( 10.571 0.423 -1.605) 10.700 40.813 ( -0.356 -0.483 -8.298) 8.320 ======================= Grid point 351 (126/189) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.652 ( 1.234 4.570 10.033) 11.094 4.892 ( -4.474 -1.484 1.546) 4.961 5.186 ( -4.726 -1.886 2.720) 5.770 5.444 ( -5.195 -2.037 -1.282) 5.726 6.118 ( 2.489 2.770 -3.026) 4.799 6.251 ( 4.850 -1.688 1.515) 5.354 9.282 ( 5.897 0.346 -5.080) 7.791 9.451 ( 2.592 -11.688 -8.794) 14.855 10.393 ( 9.783 6.889 7.009) 13.867 10.496 ( -4.995 5.939 -5.668) 9.609 11.210 ( -20.867 5.466 0.138) 21.572 11.700 ( 8.935 -7.123 9.364) 14.774 18.323 ( -8.376 -12.333 16.925) 22.555 19.178 ( -13.037 -6.290 2.834) 14.750 19.744 ( -12.303 8.038 1.098) 14.737 21.315 ( 11.635 2.036 -1.973) 11.975 22.777 ( 5.165 -4.638 -8.296) 10.817 23.141 ( 9.793 5.759 -10.942) 15.773 25.866 ( -3.695 -0.255 6.876) 7.811 26.064 ( -8.155 -8.414 3.691) 12.285 28.037 ( 5.552 2.452 -0.520) 6.092 28.192 ( 1.294 1.816 -4.694) 5.197 29.931 ( 1.606 5.665 1.084) 5.988 30.172 ( 2.799 -0.043 -2.570) 3.800 35.447 ( 11.763 -6.823 17.601) 22.243 36.150 ( -14.661 -0.869 -26.171) 30.010 36.656 ( -13.782 7.563 19.927) 25.381 37.751 ( 7.911 -0.276 2.868) 8.419 40.689 ( 5.428 0.652 -3.764) 6.638 40.779 ( 2.760 2.488 -6.836) 7.780 ======================= Grid point 352 (127/189) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.570 ( -15.440 -5.850 2.617) 16.717 4.834 ( -6.126 -4.157 3.910) 8.372 4.920 ( -8.592 -7.595 3.896) 12.111 5.514 ( 1.517 10.792 -1.387) 10.986 6.135 ( 6.990 0.675 -5.429) 8.876 6.487 ( 11.416 0.723 8.514) 14.259 9.312 ( 2.746 -8.201 -6.400) 10.759 9.413 ( 8.165 2.235 -7.117) 11.060 10.204 ( -18.369 4.185 -8.165) 20.533 10.712 ( 0.862 3.609 2.916) 4.720 11.006 ( -5.150 7.902 2.466) 9.749 11.814 ( 6.639 -10.374 10.259) 16.030 18.115 ( -14.858 -8.992 12.170) 21.207 18.921 ( -4.696 -11.922 -2.398) 13.036 19.681 ( -11.921 10.696 13.585) 21.002 21.488 ( 10.956 -1.036 -6.745) 12.908 22.583 ( -12.172 3.791 -13.305) 18.427 23.487 ( 21.932 6.260 -5.588) 23.483 25.767 ( -7.116 -7.995 5.658) 12.106 25.973 ( -0.151 -1.565 4.582) 4.844 28.097 ( 2.257 -0.082 -1.802) 2.889 28.290 ( 8.198 2.058 0.858) 8.496 30.016 ( 1.731 4.589 -0.658) 4.948 30.177 ( 0.258 -0.689 -1.653) 1.810 35.522 ( -7.707 -2.904 -5.926) 10.146 35.842 ( -0.913 -6.579 -2.827) 7.219 36.622 ( -11.966 5.871 21.639) 25.415 37.921 ( 11.110 -2.072 0.466) 11.312 40.686 ( -0.952 3.322 -7.721) 8.459 40.877 ( 6.575 2.964 -3.310) 7.935 ======================= Grid point 353 (128/189) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.186 ( -21.492 -10.438 5.712) 24.566 4.496 ( -24.151 -2.735 8.198) 25.650 4.960 ( 6.818 -3.148 3.386) 8.238 5.636 ( 4.186 8.697 -4.767) 10.765 6.274 ( 10.019 -2.795 -1.947) 10.582 6.642 ( 1.278 -1.056 4.345) 4.650 9.251 ( 1.452 -2.713 -3.426) 4.605 9.581 ( 11.481 5.710 -7.122) 14.667 9.879 ( -16.065 1.975 -5.047) 16.955 10.634 ( -11.319 9.231 -1.604) 14.694 11.145 ( 7.392 0.761 2.708) 7.910 11.842 ( 2.323 -12.338 9.472) 15.727 17.839 ( -15.250 -6.058 10.185) 19.313 18.777 ( 1.881 -13.612 2.548) 13.976 19.705 ( -10.463 12.440 17.402) 23.813 21.558 ( 6.955 -5.199 -11.944) 14.767 22.342 ( -14.439 9.255 -8.492) 19.137 23.855 ( 18.875 6.766 -8.791) 21.893 25.618 ( -5.702 -8.391 8.944) 13.524 26.018 ( 3.212 -0.680 3.030) 4.468 28.130 ( 3.912 -1.758 -1.440) 4.524 28.462 ( 8.465 1.826 0.185) 8.661 30.050 ( 0.451 0.154 -2.954) 2.992 30.176 ( 0.785 2.099 -1.298) 2.590 35.207 ( -13.753 0.932 -18.692) 23.225 35.782 ( -6.116 -9.103 13.454) 17.357 36.685 ( -2.310 3.434 22.439) 22.817 38.067 ( 11.676 -5.816 -4.146) 13.688 40.653 ( -2.412 6.366 -8.264) 10.707 40.988 ( 5.467 2.836 -3.295) 6.985 ======================= Grid point 360 (129/189) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.148 ( -0.000 15.863 20.173) 25.663 4.396 ( -0.000 13.607 30.793) 33.665 5.468 ( 0.000 -5.895 1.537) 6.092 5.470 ( 0.000 -7.657 -14.663) 16.541 6.095 ( -0.000 25.301 10.634) 27.445 6.449 ( 0.000 -11.051 -16.354) 19.738 9.287 ( -0.000 1.562 6.911) 7.085 9.632 ( 0.000 -9.702 1.371) 9.799 9.796 ( 0.000 -15.703 -6.083) 16.840 10.770 ( -0.000 -6.035 13.522) 14.808 10.978 ( 0.000 7.440 -12.930) 14.917 11.955 ( -0.000 14.709 0.340) 14.713 18.678 ( -0.000 -18.340 14.293) 23.252 19.762 ( -0.000 11.961 18.194) 21.774 19.848 ( -0.000 1.321 -0.569) 1.438 20.854 ( 0.000 10.956 -13.920) 17.715 21.867 ( 0.000 -23.983 14.661) 28.109 24.023 ( 0.000 -16.959 -15.093) 22.703 26.168 ( -0.000 3.254 14.108) 14.478 26.335 ( -0.000 -4.721 3.145) 5.672 27.830 ( 0.000 12.417 -12.682) 17.749 28.130 ( 0.000 5.820 -13.273) 14.493 29.744 ( -0.000 8.802 -4.788) 10.020 29.996 ( 0.000 1.512 -4.828) 5.059 34.685 ( -0.000 -6.634 19.990) 21.062 36.227 ( -0.000 19.120 27.829) 33.765 37.264 ( 0.000 -2.660 -17.882) 18.078 38.016 ( 0.000 2.022 -18.879) 18.987 40.119 ( -0.000 -3.810 5.733) 6.884 40.898 ( 0.000 -3.133 -7.719) 8.330 ======================= Grid point 361 (130/189) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.419 ( 2.115 11.756 16.091) 20.040 4.674 ( -1.393 10.502 24.425) 26.623 5.291 ( -1.252 -2.793 -10.446) 10.885 5.470 ( 4.075 -6.604 -0.926) 7.815 6.199 ( -3.315 -10.855 -11.320) 16.030 6.410 ( 1.416 19.296 0.387) 19.352 9.320 ( -3.521 -2.307 6.982) 8.153 9.541 ( 1.343 -10.950 -3.652) 11.621 9.656 ( 2.757 -5.592 2.812) 6.840 10.783 ( -0.871 -1.462 2.663) 3.160 11.043 ( 8.069 1.500 -2.809) 8.675 12.028 ( -7.053 12.263 -1.330) 14.209 18.572 ( -2.389 -17.439 15.389) 23.381 19.755 ( -8.324 2.956 4.576) 9.949 20.067 ( 2.997 12.012 8.366) 14.942 20.867 ( 3.013 6.558 -14.517) 16.212 21.838 ( 10.238 -18.627 15.160) 26.108 23.702 ( -8.167 -11.927 -16.076) 21.620 26.168 ( -7.760 -0.185 9.888) 12.571 26.348 ( 2.661 -5.991 2.506) 7.018 27.865 ( -1.693 10.042 -7.724) 12.782 28.133 ( 2.771 6.520 -11.411) 13.431 29.844 ( 5.874 5.315 -3.743) 8.762 29.969 ( -2.704 3.491 -2.396) 5.024 34.798 ( 6.407 -7.506 20.411) 22.672 36.567 ( -0.382 15.283 23.091) 27.693 37.093 ( -5.042 1.513 -20.229) 20.903 37.849 ( -6.972 0.623 -14.726) 16.305 40.194 ( 7.823 -3.060 5.490) 10.035 40.823 ( -0.144 -2.046 -7.163) 7.451 ======================= Grid point 362 (131/189) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.633 ( 0.893 6.242 14.138) 15.480 4.884 ( 1.209 8.335 13.128) 15.597 5.236 ( 0.484 1.854 -5.694) 6.008 5.466 ( 3.429 -6.775 -1.204) 7.688 5.984 ( -0.388 -11.221 -5.455) 12.483 6.488 ( -8.511 11.500 -6.641) 15.773 9.237 ( -3.569 -3.428 2.246) 5.435 9.404 ( 0.378 -10.330 -6.253) 12.081 9.865 ( 13.579 2.984 12.106) 18.434 10.747 ( -4.170 5.664 -6.566) 9.622 11.211 ( 12.700 -7.062 6.271) 15.827 11.935 ( -14.453 9.226 -3.337) 17.469 18.470 ( -2.203 -16.146 17.568) 23.962 19.603 ( -10.443 -1.994 -7.157) 12.816 20.194 ( -9.823 12.793 12.071) 20.146 20.929 ( 9.569 2.741 -13.852) 17.057 22.049 ( 20.967 -12.148 15.183) 28.596 23.361 ( -10.080 -2.714 -16.708) 19.701 26.081 ( -7.233 -2.178 7.572) 10.695 26.286 ( -3.679 -6.828 -0.002) 7.756 27.897 ( 0.896 5.695 -1.955) 6.088 28.178 ( 1.604 6.630 -9.551) 11.737 29.939 ( -0.653 3.744 0.853) 3.896 29.994 ( 5.350 3.395 -3.195) 7.096 35.007 ( 11.512 -7.956 20.431) 24.764 36.638 ( -11.476 3.581 -13.775) 18.283 36.996 ( -4.278 11.221 8.307) 14.602 37.664 ( -4.349 -1.723 -7.628) 8.948 40.365 ( 10.701 -1.098 3.566) 11.333 40.767 ( -0.079 -0.005 -6.500) 6.500 ======================= Grid point 363 (132/189) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.748 ( -0.425 0.323 11.090) 11.103 4.974 ( -3.913 1.186 0.263) 4.097 5.258 ( -1.080 2.282 2.411) 3.491 5.414 ( 1.284 -3.998 -3.596) 5.529 5.990 ( 11.333 -4.705 3.420) 12.738 6.313 ( -13.274 5.679 -8.835) 16.926 9.201 ( 1.166 -0.833 -0.783) 1.633 9.292 ( 0.731 -6.527 -5.146) 8.344 10.243 ( 16.881 2.830 11.685) 20.725 10.665 ( -8.125 8.328 -9.002) 14.711 11.384 ( 10.377 -10.387 9.866) 17.690 11.699 ( -17.105 5.916 -5.391) 18.885 18.402 ( -2.460 -14.465 19.581) 24.468 19.260 ( -13.978 -7.288 -18.900) 24.611 20.187 ( -15.947 12.136 20.156) 28.423 21.044 ( 13.675 -1.524 -15.998) 21.101 22.463 ( 24.256 -4.482 13.704) 28.218 23.122 ( -7.351 6.544 -16.319) 19.057 25.983 ( -5.862 -3.540 5.523) 8.798 26.113 ( -6.938 -7.273 -0.771) 10.081 27.989 ( 4.352 3.258 1.942) 5.773 28.181 ( -1.168 4.564 -7.135) 8.550 29.981 ( 0.011 4.415 2.493) 5.070 30.091 ( 4.881 1.036 -2.884) 5.764 35.273 ( 13.572 -8.610 20.214) 25.825 36.256 ( -17.045 2.106 -27.545) 32.461 37.082 ( -10.991 8.778 19.161) 23.770 37.605 ( 5.376 -3.214 -5.510) 8.342 40.559 ( 9.651 0.818 2.041) 9.899 40.740 ( 0.216 2.583 -5.968) 6.506 ======================= Grid point 364 (133/189) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.747 ( -7.851 -4.541 3.337) 9.664 4.827 ( -3.155 -5.906 1.209) 6.804 5.148 ( -13.235 0.249 5.425) 14.306 5.498 ( 7.755 1.761 -3.904) 8.859 6.105 ( -5.514 4.688 -4.412) 8.477 6.270 ( 15.447 -1.687 3.279) 15.881 9.211 ( 0.788 -1.216 -1.738) 2.263 9.278 ( 5.606 1.466 -4.078) 7.085 10.498 ( -13.884 7.859 -7.299) 17.544 10.596 ( 13.874 -0.411 6.905) 15.503 11.321 ( -17.602 4.816 0.265) 18.250 11.599 ( 9.715 -11.667 4.344) 15.791 18.321 ( -8.293 -10.824 18.114) 22.673 18.825 ( -8.616 -11.888 -19.004) 24.015 20.172 ( -16.211 12.070 24.162) 31.501 21.146 ( 15.004 -5.537 -18.573) 24.510 22.776 ( -3.191 8.430 3.311) 9.603 23.143 ( 17.161 5.954 -8.432) 20.026 25.857 ( -7.806 -5.650 3.810) 10.362 25.965 ( -1.390 -5.889 0.826) 6.107 28.093 ( 0.382 3.207 0.523) 3.271 28.183 ( 4.737 0.877 -1.531) 5.055 30.043 ( 0.488 3.736 1.396) 4.018 30.137 ( 2.241 -0.210 -2.440) 3.319 35.519 ( 8.537 -8.235 17.637) 21.254 35.826 ( -13.558 1.248 -24.420) 27.959 37.044 ( -14.736 5.462 19.668) 25.176 37.675 ( 10.844 -5.451 -6.930) 13.976 40.697 ( 1.546 4.073 -1.251) 4.532 40.775 ( 5.706 3.337 -3.462) 7.462 ======================= Grid point 365 (134/189) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.459 ( -17.019 -5.790 2.489) 18.149 4.827 ( 3.368 -4.622 2.690) 6.320 4.935 ( -17.391 1.440 9.916) 20.071 5.583 ( 5.786 0.356 -7.137) 9.194 6.109 ( 3.416 3.316 -2.764) 5.505 6.508 ( 12.016 -5.256 1.625) 13.216 9.230 ( 0.737 4.136 0.499) 4.231 9.418 ( 9.721 5.604 -4.944) 12.262 10.219 ( -20.884 5.940 -4.608) 22.196 10.793 ( 4.194 0.409 2.815) 5.067 11.125 ( -7.371 3.583 -1.682) 8.366 11.667 ( 8.131 -14.873 6.538) 18.168 18.097 ( -15.793 -5.018 5.717) 17.529 18.588 ( 3.430 -15.974 -0.827) 16.359 20.181 ( -14.679 12.218 23.925) 30.613 21.197 ( 13.464 -8.990 -20.010) 25.739 22.709 ( -15.308 17.574 -2.747) 23.468 23.519 ( 21.586 3.922 -5.852) 22.706 25.699 ( -6.967 -5.984 5.797) 10.861 25.942 ( 3.896 -5.167 1.012) 6.550 28.091 ( -1.012 1.857 -1.666) 2.692 28.322 ( 9.187 -0.637 1.450) 9.322 30.057 ( -2.155 1.179 -1.923) 3.120 30.158 ( 2.141 0.672 -0.904) 2.419 35.373 ( -15.645 3.996 -16.617) 23.170 35.757 ( 6.433 -10.523 13.874) 18.563 36.984 ( -11.545 3.819 20.201) 23.579 37.744 ( 11.860 -9.105 -10.696) 18.384 40.722 ( -1.986 7.482 -3.824) 8.634 40.901 ( 6.112 2.831 -2.051) 7.041 ======================= Grid point 373 (135/189) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.576 ( -0.000 7.206 10.893) 13.061 4.916 ( -0.000 4.597 21.924) 22.400 5.174 ( 0.000 -2.302 -12.246) 12.460 5.430 ( -0.000 -0.089 1.635) 1.637 6.011 ( 0.000 -15.531 -9.267) 18.086 6.626 ( -0.000 23.428 -4.769) 23.909 9.393 ( 0.000 -9.771 -4.750) 10.865 9.422 ( -0.000 -1.457 12.857) 12.939 9.568 ( 0.000 -6.499 2.143) 6.843 10.759 ( -0.000 -11.217 11.383) 15.981 10.988 ( 0.000 10.009 -12.651) 16.131 12.191 ( -0.000 10.654 -2.719) 10.995 18.517 ( -0.000 -17.125 15.080) 22.818 19.812 ( 0.000 0.869 -10.081) 10.118 20.267 ( -0.000 12.929 15.336) 20.059 20.782 ( 0.000 3.587 -15.147) 15.566 21.698 ( -0.000 -14.945 19.238) 24.361 23.576 ( 0.000 -8.629 -13.260) 15.821 26.218 ( 0.000 -6.564 -1.556) 6.746 26.321 ( -0.000 -2.418 7.937) 8.297 27.964 ( -0.000 12.037 -6.091) 13.490 28.089 ( 0.000 4.965 -8.604) 9.934 29.820 ( 0.000 4.327 -2.731) 5.116 30.020 ( -0.000 4.145 -1.009) 4.266 34.792 ( -0.000 -8.986 21.225) 23.049 36.840 ( -0.000 10.631 17.800) 20.733 37.025 ( 0.000 3.609 -21.499) 21.800 37.829 ( 0.000 3.409 -15.997) 16.356 40.137 ( -0.000 -3.836 9.342) 10.099 40.768 ( 0.000 -0.874 -5.701) 5.767 ======================= Grid point 374 (136/189) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.701 ( 2.678 2.080 6.583) 7.405 5.035 ( -1.890 0.514 13.369) 13.512 5.145 ( 4.126 1.096 -6.756) 7.992 5.436 ( -1.038 1.675 -1.376) 2.403 5.826 ( 0.424 -13.688 -0.989) 13.730 6.728 ( -7.383 17.982 -10.646) 22.163 9.285 ( -0.777 -5.634 -2.787) 6.334 9.334 ( -8.012 -5.193 5.604) 11.071 9.721 ( 13.270 -1.331 10.736) 17.121 10.750 ( 3.552 -7.809 5.419) 10.147 11.034 ( 3.741 5.236 -7.677) 10.017 12.192 ( -8.138 7.965 -4.418) 12.214 18.440 ( -0.817 -16.512 15.702) 22.801 19.666 ( -7.811 -1.530 -15.108) 17.077 20.429 ( 5.496 2.290 -3.028) 6.680 20.784 ( -2.166 9.309 -0.944) 9.604 21.791 ( 10.648 -10.392 22.308) 26.814 23.392 ( -5.861 -1.031 -11.404) 12.863 26.128 ( -2.139 -5.975 -0.898) 6.409 26.302 ( -2.550 -4.376 2.008) 5.448 27.973 ( -4.030 6.875 -2.428) 8.331 28.157 ( 3.526 7.876 -6.576) 10.849 29.884 ( 4.621 2.706 -1.942) 5.696 30.042 ( -1.843 4.071 0.957) 4.570 34.895 ( 6.748 -9.562 21.480) 24.462 36.770 ( -12.226 3.361 -18.583) 22.497 37.098 ( 6.981 4.818 1.994) 8.714 37.732 ( -7.254 5.429 -6.973) 11.434 40.231 ( 7.144 -2.517 9.215) 11.928 40.738 ( 0.072 1.143 -4.090) 4.247 ======================= Grid point 375 (137/189) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.771 ( 1.713 -4.103 4.848) 6.578 5.034 ( -3.055 -1.990 0.337) 3.661 5.205 ( 5.504 -1.732 -2.682) 6.363 5.414 ( -1.494 1.970 -1.342) 2.814 5.801 ( 5.936 -4.976 7.103) 10.509 6.600 ( -15.331 11.957 -11.032) 22.354 9.213 ( -3.329 -2.357 2.777) 4.935 9.229 ( -0.801 -1.818 -1.324) 2.387 10.039 ( 16.374 -1.578 11.132) 19.863 10.768 ( 0.087 1.561 -2.581) 3.017 11.122 ( 9.436 -5.247 0.498) 10.808 12.020 ( -15.518 5.375 -5.960) 17.471 18.378 ( 0.519 -16.156 16.447) 23.061 19.321 ( -15.123 -5.127 -20.798) 26.222 20.508 ( 10.488 -3.940 -9.137) 14.457 20.812 ( -8.341 10.608 5.106) 14.428 22.139 ( 21.162 -4.475 22.081) 30.910 23.241 ( -7.429 7.821 -9.950) 14.675 26.018 ( -3.176 -6.411 -0.161) 7.157 26.177 ( -6.640 -4.490 -1.921) 8.242 27.986 ( 0.306 3.432 1.278) 3.675 28.222 ( -0.630 7.549 -5.526) 9.377 29.983 ( 5.083 1.293 -0.927) 5.326 30.062 ( -0.877 3.382 2.000) 4.026 35.095 ( 11.631 -9.869 21.239) 26.149 36.404 ( -16.752 2.719 -25.333) 30.492 37.250 ( 8.405 -0.932 -1.963) 8.681 37.613 ( -11.574 5.753 2.839) 13.233 40.421 ( 9.930 -0.207 7.065) 12.188 40.741 ( 0.053 3.530 -2.723) 4.459 ======================= Grid point 376 (138/189) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.737 ( 0.358 -9.966 2.938) 10.396 4.893 ( -8.040 -3.375 -4.140) 9.653 5.263 ( 9.450 -6.874 -5.172) 12.779 5.402 ( -6.339 4.629 4.623) 9.109 5.994 ( 12.879 -0.190 6.230) 14.308 6.375 ( -15.342 10.207 -6.657) 19.593 9.201 ( 2.140 0.736 -0.273) 2.279 9.226 ( -0.323 3.352 1.022) 3.519 10.349 ( 16.361 -5.445 7.882) 18.960 10.728 ( -7.336 7.758 -6.193) 12.344 11.254 ( 13.266 -11.828 5.671) 18.656 11.718 ( -19.610 3.750 -6.779) 21.084 18.350 ( 2.391 -16.131 16.739) 23.370 18.831 ( -18.360 -6.417 -21.891) 29.283 20.602 ( 10.900 -4.795 -5.348) 13.054 20.780 ( -9.477 8.200 4.147) 13.200 22.642 ( 25.128 -0.561 15.852) 29.716 23.164 ( -8.390 14.986 -8.407) 19.123 25.901 ( -2.257 -7.224 -0.244) 7.573 25.989 ( -8.456 -3.608 -2.140) 9.439 28.061 ( 4.458 0.576 2.847) 5.321 28.217 ( -4.104 6.423 -3.997) 8.607 30.056 ( 3.026 -0.086 1.042) 3.202 30.101 ( 0.420 2.774 0.173) 2.811 35.345 ( 13.351 -10.478 20.638) 26.720 35.973 ( -17.584 3.049 -24.678) 30.455 37.338 ( 8.964 -5.704 -6.319) 12.362 37.489 ( -13.043 4.734 7.794) 15.914 40.631 ( 9.158 1.731 4.574) 10.382 40.770 ( -0.324 5.696 -1.957) 6.031 ======================= Grid point 377 (139/189) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.678 ( -4.786 -5.439 -2.633) 7.709 4.678 ( -2.317 -6.864 2.633) 7.709 5.319 ( 10.463 -8.953 -10.355) 17.229 5.319 ( -12.985 4.585 10.355) 17.229 6.236 ( 1.120 3.480 -4.443) 5.754 6.236 ( 2.454 2.710 4.443) 5.754 9.298 ( 7.006 4.840 -3.274) 9.123 9.298 ( 0.688 8.487 3.274) 9.123 10.581 ( -15.322 8.381 -4.593) 18.058 10.581 ( 14.919 -9.078 4.593) 18.058 11.385 ( -11.407 -0.357 -8.259) 14.088 11.385 ( 5.394 -10.058 8.259) 14.088 18.350 ( -10.046 -8.299 -20.541) 24.326 18.350 ( -2.164 -12.850 20.541) 24.326 20.709 ( 14.615 -7.737 -25.740) 30.594 20.709 ( -14.008 8.789 25.740) 30.594 23.128 ( 5.450 10.574 -13.537) 18.021 23.128 ( 6.432 10.007 13.537) 18.021 25.815 ( -0.028 -6.851 -3.784) 7.826 25.815 ( -5.919 -3.450 3.784) 7.826 28.174 ( -1.999 3.726 -3.285) 5.355 28.174 ( 4.226 0.132 3.285) 5.355 30.108 ( -0.501 1.130 -2.176) 2.503 30.108 ( 1.229 0.131 2.176) 2.503 35.583 ( -14.376 3.657 -20.313) 25.153 35.583 ( 10.355 -10.621 20.313) 25.153 37.366 ( 10.252 -9.765 -16.803) 21.973 37.366 ( -13.583 3.996 16.803) 21.973 40.811 ( 1.838 5.537 -3.211) 6.660 40.811 ( 3.876 4.361 3.211) 6.660 ======================= Grid point 387 (140/189) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.700 ( -0.000 -1.429 1.038) 1.767 5.096 ( -0.000 -7.471 9.898) 12.400 5.096 ( 0.000 4.312 -4.319) 6.103 5.415 ( 0.000 -3.389 -8.412) 9.069 5.759 ( -0.000 -3.140 9.962) 10.445 6.892 ( 0.000 17.029 -15.458) 22.998 9.239 ( 0.000 -1.336 -1.194) 1.792 9.521 ( -0.000 -6.997 14.688) 16.270 9.529 ( -0.000 -2.534 5.445) 6.006 10.628 ( 0.000 -13.628 7.159) 15.394 11.042 ( 0.000 10.740 -11.192) 15.512 12.295 ( 0.000 5.450 -5.959) 8.075 18.378 ( -0.000 -16.214 13.376) 21.019 19.630 ( 0.000 -1.198 -16.582) 16.625 20.181 ( 0.000 -9.799 -24.437) 26.328 21.042 ( -0.000 15.645 16.650) 22.847 21.754 ( -0.000 -8.099 23.671) 25.019 23.392 ( 0.000 3.147 -6.835) 7.525 26.085 ( 0.000 -3.048 -3.600) 4.717 26.269 ( 0.000 -7.184 -0.726) 7.221 28.110 ( -0.000 8.218 -2.965) 8.737 28.130 ( -0.000 6.576 -2.478) 7.028 29.859 ( -0.000 2.522 -1.002) 2.714 30.102 ( -0.000 3.104 1.642) 3.511 34.877 ( -0.000 -10.272 22.183) 24.446 36.854 ( 0.000 7.634 -23.159) 24.385 36.934 ( 0.000 -7.468 -8.083) 11.005 37.867 ( -0.000 10.924 -0.347) 10.929 40.211 ( -0.000 -2.828 12.532) 12.847 40.738 ( -0.000 2.816 -1.636) 3.256 ======================= Grid point 388 (141/189) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.689 ( 2.528 -6.250 -1.142) 6.838 5.024 ( -1.138 -11.155 2.123) 11.412 5.122 ( -0.704 1.023 -4.021) 4.208 5.347 ( 4.969 -3.433 -4.173) 7.342 5.850 ( -1.083 6.959 12.135) 14.031 6.852 ( -8.855 11.674 -15.814) 21.559 9.243 ( -0.647 2.880 1.507) 3.314 9.330 ( -9.863 -4.373 7.846) 13.341 9.800 ( 15.710 -5.530 10.940) 19.926 10.612 ( 8.422 -11.786 4.563) 15.187 11.069 ( -0.873 8.982 -9.130) 12.837 12.222 ( -8.195 2.707 -7.432) 11.389 18.295 ( 0.255 -16.166 10.354) 19.199 19.390 ( -12.151 -3.976 -17.585) 21.741 20.043 ( 14.019 -9.952 -25.929) 31.111 21.211 ( -8.664 12.560 16.069) 22.160 21.949 ( 12.422 -5.148 23.540) 27.110 23.384 ( -3.954 9.633 -3.139) 10.875 26.009 ( -3.200 -3.248 -3.296) 5.626 26.172 ( -1.127 -6.510 -4.450) 7.966 28.076 ( -5.106 5.157 0.320) 7.264 28.256 ( 2.735 7.763 -2.698) 8.662 29.915 ( 3.742 2.292 -0.203) 4.393 30.125 ( -1.346 1.695 2.488) 3.298 34.975 ( 6.611 -10.418 22.237) 25.431 36.536 ( -14.818 -0.905 -22.191) 26.699 36.974 ( 11.321 -3.310 -16.279) 20.103 37.912 ( -8.286 10.212 3.952) 13.732 40.328 ( 6.512 -1.383 11.937) 13.668 40.772 ( 0.106 4.603 0.312) 4.615 ======================= Grid point 389 (142/189) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.612 ( 0.726 -14.250 -1.648) 14.363 4.914 ( 1.443 -8.869 -3.537) 9.657 5.023 ( -1.010 -6.546 -7.327) 9.877 5.467 ( 6.160 3.453 3.010) 7.677 5.990 ( -0.675 9.764 9.427) 13.589 6.670 ( -12.496 7.993 -10.049) 17.917 9.216 ( -3.581 -1.059 3.590) 5.181 9.304 ( -0.592 6.844 4.228) 8.066 10.048 ( 15.099 -10.284 8.022) 19.952 10.719 ( 10.163 -5.508 1.799) 11.699 11.078 ( 0.154 4.204 -4.737) 6.336 11.990 ( -14.614 0.598 -8.059) 16.699 18.205 ( 2.309 -16.657 4.907) 17.517 18.977 ( -17.324 -5.570 -13.766) 22.818 20.086 ( 18.737 -7.676 -24.428) 31.729 21.233 ( -13.044 9.531 17.589) 23.882 22.319 ( 20.330 -4.444 16.009) 26.256 23.421 ( -5.616 16.313 0.946) 17.278 25.868 ( -4.279 -6.834 -4.526) 9.246 26.056 ( -4.112 -2.206 -4.186) 6.269 28.062 ( -1.615 2.386 1.892) 3.447 28.322 ( -1.865 7.697 -2.445) 8.289 30.003 ( 3.545 1.323 0.686) 3.845 30.135 ( -0.487 0.957 2.482) 2.704 35.163 ( 10.863 -10.700 21.273) 26.173 36.122 ( -15.163 -1.387 -21.863) 26.642 37.007 ( 10.158 -5.367 -17.866) 21.241 37.851 ( -12.736 7.611 7.407) 16.583 40.527 ( 8.818 0.644 8.582) 12.321 40.831 ( -0.070 6.035 1.500) 6.219 ======================= Grid point 400 (143/189) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.568 ( 0.000 -10.427 -4.299) 11.279 4.880 ( 0.000 -20.405 -0.074) 20.405 5.194 ( 0.000 -5.372 -5.129) 7.427 5.206 ( -0.000 9.881 0.014) 9.881 6.040 ( -0.000 12.564 11.354) 16.934 6.897 ( 0.000 5.192 -18.817) 19.520 9.316 ( -0.000 6.689 4.607) 8.122 9.503 ( -0.000 -12.238 12.345) 17.383 9.604 ( -0.000 0.567 9.068) 9.085 10.435 ( 0.000 -11.415 2.336) 11.651 11.119 ( 0.000 9.792 -8.626) 13.049 12.251 ( 0.000 -0.289 -9.111) 9.116 18.181 ( 0.000 -15.984 3.386) 16.339 19.406 ( 0.000 -1.611 -11.675) 11.785 19.606 ( 0.000 -12.033 -27.443) 29.965 21.479 ( -0.000 8.504 10.583) 13.576 21.942 ( -0.000 -4.870 24.737) 25.212 23.523 ( -0.000 12.964 2.011) 13.119 26.018 ( 0.000 0.889 -3.658) 3.765 26.048 ( 0.000 -9.371 -7.592) 12.060 28.204 ( -0.000 4.745 -2.087) 5.184 28.275 ( -0.000 8.337 1.625) 8.494 29.912 ( -0.000 3.212 1.134) 3.406 30.162 ( -0.000 0.250 2.095) 2.110 34.960 ( -0.000 -10.378 23.065) 25.292 36.496 ( 0.000 -16.832 -18.778) 25.218 36.729 ( 0.000 9.312 -23.159) 24.961 38.101 ( -0.000 10.403 0.882) 10.440 40.341 ( -0.000 -1.596 14.586) 14.673 40.830 ( -0.000 5.558 2.388) 6.049 ======================= Grid point 401 (144/189) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.417 ( 1.058 -17.493 -5.654) 18.414 4.657 ( 2.392 -23.313 -4.500) 23.863 5.063 ( -5.986 0.689 -4.109) 7.294 5.409 ( 7.673 9.045 2.609) 12.145 6.215 ( -3.053 14.214 8.527) 16.855 6.762 ( -3.315 -1.488 -15.026) 15.459 9.341 ( -8.542 -5.091 8.043) 12.790 9.432 ( -0.510 9.922 7.199) 12.270 9.785 ( 9.653 -7.575 8.649) 15.012 10.452 ( 11.558 -7.944 1.790) 14.139 11.144 ( -1.949 8.603 -6.454) 10.930 12.109 ( -7.296 -2.811 -10.187) 12.841 18.024 ( 0.532 -16.308 -4.202) 16.849 19.108 ( -13.763 -6.009 -11.466) 18.894 19.580 ( 15.975 -5.054 -19.103) 25.410 21.554 ( -4.500 5.105 8.970) 11.259 22.120 ( 8.562 -6.055 19.907) 22.500 23.674 ( -2.243 17.071 5.973) 18.224 25.843 ( -5.038 -8.111 -8.347) 12.683 26.035 ( 1.210 0.652 -4.452) 4.660 28.171 ( -5.300 3.759 0.330) 6.506 28.395 ( 1.133 8.153 0.433) 8.243 29.984 ( 2.455 3.709 2.209) 4.966 30.161 ( -0.764 -0.793 1.812) 2.121 35.056 ( 5.659 -10.298 22.826) 25.672 36.124 ( -7.542 -13.914 -19.905) 25.430 36.725 ( 5.403 4.055 -22.043) 23.054 38.134 ( -7.356 8.848 1.081) 11.557 40.471 ( 5.477 -0.412 13.056) 14.164 40.907 ( 0.044 6.153 3.347) 7.004 ======================= Grid point 413 (145/189) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.171 ( 0.000 -21.848 -8.150) 23.319 4.341 ( 0.000 -29.919 -5.671) 30.452 5.118 ( 0.000 1.965 -1.512) 2.479 5.468 ( -0.000 13.622 2.259) 13.808 6.444 ( -0.000 16.143 5.928) 17.197 6.598 ( 0.000 -13.331 -15.053) 20.107 9.391 ( -0.000 -9.862 6.430) 11.773 9.595 ( -0.000 11.545 9.857) 15.180 9.766 ( -0.000 2.071 11.979) 12.156 10.261 ( 0.000 -7.340 -0.919) 7.397 11.205 ( 0.000 7.949 -5.134) 9.462 12.055 ( 0.000 -5.809 -12.022) 13.352 17.807 ( 0.000 -16.725 -11.658) 20.387 19.094 ( 0.000 -6.697 -22.524) 23.498 19.318 ( -0.000 -0.414 1.362) 1.424 21.607 ( 0.000 -2.309 0.600) 2.386 22.159 ( -0.000 -4.383 22.632) 23.052 23.910 ( -0.000 18.262 8.411) 20.106 25.736 ( 0.000 -9.379 -11.639) 14.948 26.020 ( 0.000 3.371 -2.946) 4.477 28.253 ( -0.000 2.963 -1.619) 3.377 28.479 ( -0.000 8.683 3.428) 9.335 30.028 ( -0.000 5.620 3.888) 6.834 30.164 ( 0.000 -1.386 0.394) 1.441 35.063 ( -0.000 -9.517 24.241) 26.042 35.864 ( 0.000 -21.668 -19.900) 29.420 36.622 ( 0.000 9.026 -22.487) 24.231 38.278 ( -0.000 9.130 -2.761) 9.539 40.509 ( -0.000 -0.719 15.024) 15.041 40.990 ( -0.000 6.106 3.937) 7.265 ======================= Grid point 480 (146/189) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( -0.000 -0.000 45.924) 45.924 2.833 ( -0.000 -0.000 45.924) 45.924 4.187 ( -0.000 -0.000 57.690) 57.690 5.822 ( 0.000 0.000 -4.136) 4.136 6.727 ( 0.000 0.000 -21.667) 21.667 6.727 ( 0.000 0.000 -21.667) 21.667 9.172 ( 0.000 0.000 -3.313) 3.313 10.259 ( 0.000 0.000 10.264) 10.264 10.259 ( -0.000 0.000 10.264) 10.264 10.979 ( 0.000 0.000 -12.337) 12.337 10.994 ( 0.000 0.000 -0.562) 0.562 10.994 ( -0.000 0.000 -0.562) 0.562 19.272 ( -0.000 -0.000 5.117) 5.117 19.272 ( -0.000 -0.000 5.117) 5.117 20.175 ( 0.000 0.000 -6.402) 6.402 20.175 ( -0.000 0.000 -6.402) 6.402 23.692 ( -0.000 -0.000 7.436) 7.436 25.088 ( 0.000 0.000 -9.582) 9.582 25.424 ( -0.000 0.000 14.775) 14.775 25.424 ( -0.000 -0.000 14.775) 14.775 28.018 ( 0.000 0.000 -19.369) 19.369 28.018 ( 0.000 0.000 -19.369) 19.369 28.996 ( -0.000 -0.000 8.866) 8.866 30.242 ( 0.000 0.000 -10.074) 10.074 34.645 ( -0.000 0.000 27.164) 27.164 34.645 ( -0.000 -0.000 27.164) 27.164 38.155 ( 0.000 0.000 -20.593) 20.593 38.155 ( 0.000 0.000 -20.593) 20.593 40.085 ( -0.000 -0.000 8.029) 8.029 41.178 ( 0.000 0.000 -7.384) 7.384 ======================= Grid point 481 (147/189) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( 4.433 2.559 40.426) 40.748 3.305 ( 10.506 6.066 42.917) 44.599 4.727 ( 16.878 9.745 47.043) 50.920 5.727 ( -6.340 -3.660 -3.778) 8.238 6.376 ( -7.726 -4.461 -21.478) 23.257 6.748 ( 4.000 2.310 -21.226) 21.723 9.175 ( 1.545 0.892 -0.786) 1.949 9.999 ( -14.821 -8.557 7.706) 18.769 10.599 ( 9.917 5.725 10.372) 15.450 10.713 ( -11.265 -6.504 -4.359) 13.718 10.876 ( 0.333 0.192 -10.292) 10.299 11.269 ( 10.301 5.947 -0.057) 11.894 19.209 ( -6.847 -3.953 5.273) 9.503 19.271 ( -5.116 -2.954 11.956) 13.336 20.036 ( -0.052 -0.030 -9.197) 9.197 20.323 ( 8.266 4.772 -2.880) 9.970 23.210 ( -31.452 -18.159 17.578) 40.348 24.844 ( -13.978 -8.070 -10.731) 19.382 25.483 ( -0.078 -0.045 13.675) 13.675 26.031 ( 25.796 14.893 9.439) 31.246 27.898 ( -1.385 -0.800 -17.058) 17.133 27.910 ( 4.481 2.587 -20.506) 21.148 29.268 ( 17.291 9.983 1.400) 20.015 30.135 ( -3.755 -2.168 -9.892) 10.801 34.677 ( -3.275 -1.891 26.825) 27.090 35.077 ( 12.626 7.290 29.052) 32.505 37.860 ( -8.016 -4.628 -24.606) 26.289 38.046 ( -3.678 -2.124 -14.730) 15.330 40.179 ( 4.271 2.466 5.099) 7.094 41.113 ( -1.298 -0.749 -7.995) 8.134 ======================= Grid point 482 (148/189) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.511 ( 9.257 5.344 31.707) 33.461 3.803 ( 11.154 6.440 35.903) 38.143 5.436 ( 21.204 12.242 30.406) 39.038 5.509 ( -8.977 -5.183 -5.799) 11.878 6.141 ( -3.118 -1.800 -14.417) 14.860 6.638 ( -2.412 -1.393 -18.708) 18.914 9.235 ( 3.058 1.765 2.700) 4.445 9.728 ( -11.545 -6.666 5.687) 14.494 10.442 ( -8.968 -5.177 -7.833) 12.984 10.643 ( -3.271 -1.888 -8.845) 9.618 11.045 ( 11.320 6.536 9.853) 16.369 11.436 ( 4.144 2.393 -0.059) 4.785 19.055 ( -9.701 -5.601 7.452) 13.454 19.227 ( -8.103 -4.678 22.178) 24.071 20.010 ( 2.725 1.573 -13.287) 13.654 20.526 ( 10.267 5.928 1.139) 11.910 22.789 ( -14.552 -8.401 16.230) 23.361 24.375 ( -18.975 -10.955 -16.953) 27.703 25.555 ( -1.291 -0.746 14.105) 14.183 26.475 ( 7.867 4.542 9.736) 13.316 27.791 ( 1.464 0.845 -14.201) 14.302 27.958 ( 9.956 5.748 -18.163) 21.495 29.667 ( 17.477 10.090 -5.066) 20.807 29.964 ( -5.830 -3.366 -7.892) 10.373 34.833 ( 2.176 1.256 25.839) 25.961 35.551 ( 12.537 7.238 28.424) 31.898 37.483 ( -10.620 -6.132 -27.920) 30.494 37.856 ( -6.367 -3.676 -6.258) 9.655 40.325 ( 6.739 3.891 0.749) 7.817 41.022 ( -1.987 -1.147 -8.649) 8.948 ======================= Grid point 483 (149/189) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.917 ( 11.095 6.406 22.491) 25.884 4.261 ( 11.685 6.747 27.110) 30.283 5.300 ( -5.668 -3.272 -6.409) 9.161 5.945 ( 9.485 5.476 11.622) 15.969 6.040 ( -0.349 -0.202 -4.887) 4.904 6.416 ( -7.263 -4.194 -13.704) 16.067 9.293 ( -0.702 -0.406 1.601) 1.795 9.660 ( 3.790 2.188 8.994) 10.002 10.224 ( -4.972 -2.871 -10.004) 11.534 10.483 ( -4.761 -2.749 -11.172) 12.452 11.323 ( 3.285 1.897 7.801) 8.675 11.478 ( 2.613 1.508 4.108) 5.097 18.882 ( -10.785 -6.227 11.161) 16.723 19.186 ( -9.821 -5.670 28.602) 30.768 19.947 ( -0.014 -0.008 -18.228) 18.228 20.797 ( 12.053 6.959 3.697) 14.401 22.733 ( 1.471 0.850 9.596) 9.745 23.810 ( -18.740 -10.819 -23.793) 32.161 25.617 ( -0.741 -0.428 14.114) 14.140 26.542 ( -5.683 -3.281 7.987) 10.336 27.802 ( 5.726 3.306 -8.589) 10.839 28.081 ( 9.022 5.209 -14.721) 18.034 29.808 ( -3.760 -2.171 -4.143) 6.001 29.965 ( 11.891 6.865 -5.899) 14.944 35.093 ( 6.423 3.708 24.650) 25.742 35.972 ( 8.585 4.956 26.673) 28.456 37.033 ( -12.682 -7.322 -30.159) 33.526 37.708 ( -4.343 -2.507 -0.103) 5.015 40.485 ( 7.527 4.346 -1.912) 8.899 40.919 ( -1.979 -1.142 -9.469) 9.741 ======================= Grid point 484 (150/189) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.286 ( 11.128 6.425 14.058) 19.046 4.664 ( 10.792 6.231 18.390) 22.214 5.160 ( -4.054 -2.341 -5.088) 6.914 5.910 ( -12.959 -7.482 -5.452) 15.926 6.081 ( 4.318 2.493 4.888) 6.983 6.234 ( -3.233 -1.867 -5.136) 6.350 9.280 ( 1.600 0.924 -3.612) 4.057 9.905 ( 7.289 4.208 1.365) 8.526 10.148 ( 5.794 3.345 1.161) 6.790 10.292 ( -5.932 -3.425 -11.443) 13.337 11.186 ( -12.270 -7.084 -1.791) 14.281 11.699 ( 7.271 4.198 13.260) 15.694 18.698 ( -13.057 -7.539 14.211) 20.719 19.145 ( -10.322 -5.959 30.395) 32.648 19.775 ( -3.607 -2.083 -21.621) 22.019 21.101 ( 12.073 6.970 4.424) 14.625 22.931 ( 11.281 6.513 3.795) 13.568 23.260 ( -14.921 -8.615 -27.790) 32.698 25.708 ( 1.254 0.724 12.563) 12.646 26.376 ( -11.601 -6.698 5.400) 14.443 27.922 ( 7.775 4.489 -2.957) 9.452 28.146 ( 3.862 2.229 -10.778) 11.664 29.766 ( 1.392 0.804 -0.631) 1.727 30.134 ( 6.174 3.565 -4.456) 8.408 35.417 ( 8.321 4.804 22.749) 24.695 36.241 ( 0.345 0.199 23.690) 23.693 36.545 ( -12.954 -7.479 -30.032) 33.551 37.684 ( 1.404 0.810 4.358) 4.650 40.637 ( 7.274 4.200 -3.149) 8.970 40.815 ( -1.534 -0.886 -10.569) 10.717 ======================= Grid point 485 (151/189) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.557 ( 4.906 2.833 5.844) 8.139 4.948 ( 5.179 2.990 10.041) 11.687 5.064 ( -0.807 -0.466 -0.726) 1.182 5.478 ( -20.352 -11.750 -4.104) 23.856 6.145 ( -0.091 -0.052 -6.600) 6.601 6.290 ( 8.404 4.852 12.540) 15.856 9.331 ( 5.687 3.284 -6.926) 9.545 9.895 ( 0.532 0.307 -13.586) 13.600 10.057 ( -8.887 -5.131 -11.597) 15.485 10.520 ( 16.001 9.238 14.274) 23.348 10.830 ( -16.649 -9.612 -2.467) 19.382 11.914 ( 3.838 2.216 13.738) 14.435 18.451 ( -16.711 -9.648 13.037) 23.287 19.109 ( -9.446 -5.454 29.249) 31.217 19.549 ( -4.022 -2.322 -18.821) 19.386 21.379 ( 9.842 5.682 3.463) 11.881 22.795 ( -10.386 -5.996 -28.204) 30.648 23.251 ( 15.409 8.896 -0.877) 17.814 25.824 ( 2.632 1.519 9.166) 9.657 26.127 ( -12.855 -7.422 5.580) 15.858 28.102 ( 8.818 5.091 -0.564) 10.198 28.148 ( 1.605 0.926 -5.102) 5.428 29.838 ( 4.381 2.529 0.035) 5.058 30.199 ( 1.783 1.030 -2.625) 3.337 35.672 ( 0.898 0.518 5.399) 5.497 36.155 ( -4.128 -2.383 -12.399) 13.283 36.280 ( -8.927 -5.154 20.608) 23.042 37.823 ( 7.158 4.133 6.813) 10.711 40.715 ( -1.041 -0.601 -11.989) 12.049 40.772 ( 6.575 3.796 -3.589) 8.398 ======================= Grid point 486 (152/189) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.491 ( -11.531 -6.657 3.097) 13.670 4.868 ( -20.099 -11.604 0.972) 23.229 5.125 ( -4.295 -2.480 2.638) 5.618 5.200 ( 10.937 6.315 1.044) 12.672 6.207 ( 9.155 5.286 -5.802) 12.059 6.553 ( 4.647 2.683 16.459) 17.312 9.442 ( 8.412 4.857 -8.731) 13.061 9.726 ( -13.684 -7.901 -10.783) 19.130 9.822 ( 0.901 0.520 -13.869) 13.908 10.473 ( -12.583 -7.265 -1.281) 14.586 10.933 ( 12.666 7.313 10.490) 17.998 12.038 ( -0.493 -0.284 13.182) 13.194 18.120 ( -18.003 -10.394 9.540) 22.872 19.091 ( -7.713 -4.453 26.409) 27.870 19.384 ( -2.309 -1.333 -9.939) 10.290 21.567 ( 4.997 2.885 1.512) 5.965 22.431 ( -6.705 -3.871 -26.056) 27.182 23.592 ( 16.131 9.313 -5.066) 19.303 25.893 ( -11.251 -6.496 8.278) 15.404 25.932 ( 2.760 1.594 5.284) 6.171 28.180 ( 2.673 1.543 0.186) 3.092 28.302 ( 9.043 5.221 -1.125) 10.502 29.938 ( 4.692 2.709 -1.629) 5.658 30.195 ( -0.793 -0.458 -1.100) 1.431 35.429 ( -9.981 -5.763 -24.125) 26.737 36.127 ( -15.147 -8.745 19.421) 26.136 36.302 ( 8.153 4.707 19.238) 21.418 38.055 ( 8.966 5.177 5.983) 11.958 40.615 ( -0.730 -0.422 -13.601) 13.627 40.889 ( 5.859 3.382 -3.733) 7.726 ======================= Grid point 493 (153/189) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.406 ( -0.000 7.058 38.361) 39.005 3.586 ( -0.000 12.787 42.832) 44.700 4.982 ( -0.000 13.569 41.076) 43.259 5.726 ( 0.000 -5.076 -2.202) 5.534 6.179 ( 0.000 -13.754 -23.495) 27.225 6.635 ( 0.000 7.653 -22.774) 24.025 9.177 ( -0.000 1.507 2.311) 2.759 10.082 ( 0.000 -14.985 7.812) 16.899 10.579 ( 0.000 -19.289 -6.285) 20.287 10.641 ( -0.000 9.171 12.131) 15.207 10.871 ( 0.000 2.238 -13.497) 13.681 11.302 ( -0.000 16.972 0.329) 16.975 19.222 ( -0.000 -10.053 7.476) 12.528 19.391 ( -0.000 2.880 9.144) 9.587 19.922 ( 0.000 -6.165 -6.036) 8.628 20.344 ( -0.000 15.466 -8.095) 17.457 23.216 ( 0.000 -46.199 18.495) 49.764 24.796 ( 0.000 -14.080 -12.090) 18.558 25.801 ( -0.000 9.479 17.638) 20.024 25.948 ( -0.000 25.294 9.916) 27.168 27.681 ( 0.000 -1.985 -22.024) 22.113 27.890 ( 0.000 9.403 -19.775) 21.897 29.258 ( -0.000 12.864 4.271) 13.554 30.082 ( 0.000 -2.214 -10.259) 10.495 34.818 ( -0.000 -8.587 28.206) 29.485 35.294 ( -0.000 16.708 31.496) 35.653 37.680 ( 0.000 -10.594 -23.366) 25.656 37.996 ( 0.000 5.545 -22.420) 23.095 40.189 ( -0.000 -0.962 7.706) 7.765 41.060 ( 0.000 -1.722 -8.498) 8.671 ======================= Grid point 494 (154/189) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.727 ( 1.194 10.783 32.215) 33.993 4.002 ( 3.031 11.143 38.119) 39.830 5.454 ( 10.729 11.311 23.513) 28.212 5.572 ( -6.875 -3.758 -2.869) 8.344 5.968 ( 4.797 -9.070 -15.419) 18.521 6.545 ( -0.959 2.922 -21.389) 21.609 9.239 ( 1.918 2.167 6.263) 6.899 9.880 ( -10.366 -11.509 6.554) 16.819 10.327 ( -1.816 -19.123 -7.276) 20.541 10.695 ( -5.837 3.502 -9.095) 11.360 10.967 ( 11.958 5.702 6.844) 14.912 11.476 ( 0.296 13.953 -0.481) 13.965 19.123 ( -4.302 -12.241 9.269) 15.946 19.457 ( -4.606 3.821 15.037) 16.184 19.885 ( 3.676 -0.572 -8.371) 9.160 20.480 ( 4.782 13.886 -7.547) 16.512 22.848 ( -5.028 -36.186 20.303) 41.796 24.428 ( -13.872 -16.148 -15.957) 26.605 25.834 ( -11.783 11.086 16.420) 23.051 26.406 ( 13.160 7.365 10.463) 18.355 27.606 ( 6.301 2.161 -19.698) 20.794 27.863 ( 0.357 11.684 -17.950) 21.421 29.505 ( 11.113 11.615 -0.371) 16.080 29.968 ( -3.610 -1.726 -8.774) 9.643 34.934 ( 2.513 -6.910 28.058) 29.005 35.711 ( 5.007 16.213 31.228) 35.540 37.381 ( -6.062 -7.747 -26.322) 28.100 37.870 ( -3.804 3.243 -18.210) 18.883 40.260 ( 4.453 -1.207 5.940) 7.521 40.975 ( -1.020 -2.201 -8.973) 9.295 ======================= Grid point 495 (155/189) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.054 ( 2.431 12.012 24.913) 27.764 4.376 ( 4.606 8.443 29.974) 31.479 5.315 ( -6.017 -3.817 -9.581) 11.940 5.839 ( 9.457 -4.800 -1.352) 10.692 5.999 ( 5.590 6.431 6.346) 10.624 6.391 ( -3.362 -0.554 -16.728) 17.071 9.326 ( -0.633 -0.470 6.931) 6.976 9.706 ( -2.602 -3.220 8.377) 9.345 10.076 ( -0.366 -17.005 -7.968) 18.783 10.552 ( -7.045 5.495 -13.365) 16.077 11.289 ( 12.647 2.743 11.035) 17.007 11.542 ( -5.015 8.961 -1.750) 10.417 18.983 ( -5.344 -12.959 12.782) 18.970 19.500 ( -7.895 2.596 21.128) 22.704 19.866 ( -0.717 3.010 -13.346) 13.700 20.687 ( 10.252 10.798 -5.282) 15.798 22.668 ( 3.816 -21.745 16.757) 27.716 23.867 ( -18.950 -14.080 -22.103) 32.340 25.845 ( -9.768 7.868 15.618) 20.031 26.590 ( 1.297 -5.277 7.116) 8.954 27.665 ( 7.430 5.314 -11.142) 14.408 27.929 ( 6.052 10.860 -15.248) 19.674 29.795 ( 11.710 7.656 -3.519) 14.426 29.841 ( -3.851 0.592 -5.353) 6.621 35.133 ( 7.095 -5.070 27.278) 28.637 36.135 ( 4.312 13.508 28.912) 32.202 36.991 ( -11.486 -4.723 -29.667) 32.161 37.732 ( -3.200 0.687 -10.488) 10.987 40.382 ( 7.017 0.075 2.825) 7.564 40.873 ( -1.547 -1.965 -9.568) 9.889 ======================= Grid point 496 (156/189) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.350 ( 3.182 10.799 17.776) 21.041 4.707 ( 6.426 6.685 20.508) 22.507 5.170 ( -3.017 -0.086 -7.363) 7.957 5.855 ( 4.189 -10.757 -7.576) 13.808 6.066 ( -2.466 -0.186 1.845) 3.086 6.279 ( -2.683 2.209 -6.241) 7.144 9.274 ( -3.048 -2.579 1.009) 4.118 9.783 ( 3.188 -8.472 -4.034) 9.910 9.999 ( 10.789 -1.143 9.739) 14.579 10.402 ( -7.999 7.507 -13.435) 17.344 11.388 ( -13.002 4.395 -1.588) 13.816 11.632 ( 11.309 0.173 10.160) 15.203 18.851 ( -6.709 -13.011 16.496) 22.055 19.489 ( -10.180 -1.188 19.141) 21.713 19.739 ( -7.524 3.958 -12.157) 14.835 20.957 ( 13.551 8.012 -4.049) 16.255 22.749 ( 12.826 -10.404 10.840) 19.755 23.284 ( -17.350 -8.179 -26.308) 32.558 25.862 ( -6.354 4.896 13.543) 15.740 26.489 ( -6.832 -9.391 3.522) 12.135 27.807 ( 8.157 5.097 -3.319) 10.175 28.037 ( 5.462 6.708 -11.619) 14.486 29.782 ( -1.457 3.102 -1.033) 3.579 30.015 ( 8.914 4.567 -4.177) 10.852 35.410 ( 10.410 -4.140 25.781) 28.110 36.404 ( -4.483 1.455 3.888) 6.110 36.586 ( -11.050 4.615 -9.096) 15.038 37.669 ( 1.363 0.537 -3.998) 4.258 40.526 ( 7.650 1.340 0.304) 7.772 40.767 ( -1.688 -0.965 -10.377) 10.557 ======================= Grid point 497 (157/189) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.588 ( 2.612 7.651 10.549) 13.291 4.938 ( 2.995 -0.124 8.915) 9.406 5.122 ( -0.979 5.315 0.178) 5.407 5.600 ( -11.383 -11.921 -8.574) 18.579 6.090 ( -0.121 -2.200 -4.045) 4.606 6.271 ( 6.225 2.666 6.533) 9.409 9.247 ( 2.108 0.131 -2.768) 3.481 9.651 ( 3.258 -13.887 -10.542) 17.737 10.213 ( -8.574 8.619 -10.530) 16.084 10.415 ( 14.505 5.795 12.807) 20.198 11.105 ( -20.421 2.587 -3.658) 20.907 11.876 ( 9.798 -2.771 11.598) 15.433 18.676 ( -12.363 -12.177 14.662) 22.718 19.347 ( -6.703 -9.097 1.011) 11.345 19.613 ( -12.088 7.492 9.795) 17.268 21.230 ( 13.768 4.924 -4.676) 15.352 22.765 ( -11.373 -4.307 -23.965) 26.874 23.042 ( 14.915 0.652 1.971) 15.058 25.896 ( -2.498 1.989 9.870) 10.373 26.270 ( -9.615 -9.398 3.565) 13.910 27.979 ( 8.047 3.100 -0.773) 8.658 28.102 ( 3.662 4.094 -5.668) 7.893 29.828 ( 1.520 4.980 0.885) 5.282 30.137 ( 4.756 1.755 -3.459) 6.136 35.669 ( 4.137 -3.722 12.686) 13.853 36.070 ( -5.667 -6.414 -17.706) 19.666 36.626 ( -10.821 7.730 21.130) 24.966 37.751 ( 7.796 1.768 0.739) 8.028 40.648 ( 2.235 0.239 -6.541) 6.916 40.685 ( 3.066 2.525 -6.179) 7.346 ======================= Grid point 498 (158/189) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.640 ( -7.790 -0.194 3.507) 8.545 4.969 ( 0.619 -5.637 5.449) 7.864 5.110 ( -9.622 -7.183 -0.614) 12.024 5.312 ( -5.333 6.144 0.265) 8.140 6.059 ( 5.946 1.627 -9.104) 10.994 6.549 ( 11.289 1.669 15.076) 18.908 9.306 ( 6.177 2.268 -5.318) 8.460 9.504 ( 3.014 -14.054 -10.428) 17.758 10.020 ( -14.226 8.354 -11.747) 20.253 10.672 ( -9.601 -0.219 -0.359) 9.610 10.888 ( 3.873 7.787 8.483) 12.149 12.044 ( 5.900 -5.317 11.203) 13.733 18.367 ( -17.452 -10.330 5.733) 21.075 19.184 ( -0.815 -13.273 4.486) 14.034 19.576 ( -13.045 9.256 18.375) 24.362 21.444 ( 11.542 1.561 -6.599) 13.386 22.401 ( -11.023 1.873 -24.061) 26.532 23.360 ( 17.182 4.432 -1.098) 17.778 25.923 ( -0.893 -2.999 5.625) 6.437 26.066 ( -7.864 -5.136 6.355) 11.340 28.094 ( 5.679 -0.650 -1.594) 5.934 28.224 ( 6.807 5.279 0.594) 8.635 29.914 ( 2.012 4.924 -0.104) 5.321 30.175 ( 1.397 -0.197 -2.498) 2.869 35.436 ( -13.452 -1.791 -23.911) 27.494 36.119 ( 9.068 -12.009 19.038) 24.267 36.614 ( -12.567 8.165 20.637) 25.504 37.942 ( 10.998 1.046 1.588) 11.162 40.564 ( -2.200 2.113 -12.259) 12.633 40.799 ( 6.115 3.058 -2.572) 7.305 ======================= Grid point 506 (159/189) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.019 ( -0.000 11.282 27.789) 29.991 4.355 ( -0.000 12.601 37.124) 39.204 5.514 ( 0.000 -4.028 -7.534) 8.544 5.588 ( 0.000 -6.215 -1.613) 6.421 5.799 ( -0.000 9.989 4.719) 11.048 6.443 ( 0.000 0.533 -19.705) 19.713 9.297 ( -0.000 2.519 10.231) 10.536 9.883 ( 0.000 -13.742 5.256) 14.713 10.103 ( 0.000 -19.504 -7.320) 20.832 10.753 ( 0.000 5.488 -16.263) 17.164 10.904 ( -0.000 1.484 12.640) 12.727 11.638 ( -0.000 17.181 -1.157) 17.220 19.091 ( -0.000 -14.490 10.705) 18.016 19.657 ( -0.000 9.289 14.498) 17.219 19.798 ( 0.000 0.582 -6.513) 6.539 20.519 ( 0.000 14.316 -12.167) 18.788 22.624 ( 0.000 -39.630 22.744) 45.693 24.278 ( 0.000 -18.990 -16.443) 25.120 26.184 ( -0.000 5.563 17.782) 18.632 26.383 ( -0.000 5.005 7.362) 8.902 27.481 ( 0.000 11.248 -19.372) 22.401 27.865 ( 0.000 11.322 -17.189) 20.583 29.524 ( -0.000 10.714 0.498) 10.726 29.938 ( 0.000 0.257 -7.923) 7.927 35.003 ( -0.000 -9.678 28.689) 30.277 36.047 ( -0.000 18.233 31.308) 36.230 37.204 ( 0.000 -5.642 -25.840) 26.448 37.809 ( 0.000 5.252 -23.579) 24.156 40.242 ( -0.000 -3.686 8.726) 9.473 40.902 ( 0.000 -2.666 -9.024) 9.410 ======================= Grid point 507 (160/189) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.300 ( 1.357 11.340 22.159) 24.929 4.656 ( -3.070 9.428 31.432) 32.958 5.288 ( -3.955 -5.150 -14.976) 16.324 5.589 ( 7.144 -7.507 -5.516) 11.739 6.056 ( 4.607 14.244 6.781) 16.435 6.308 ( -0.838 -2.807 -14.815) 15.102 9.397 ( -0.686 0.569 12.042) 12.075 9.744 ( -2.711 -10.210 4.201) 11.369 9.869 ( -0.757 -16.273 -5.267) 17.121 10.636 ( -6.299 7.097 -14.538) 17.361 11.123 ( 13.478 -1.764 10.171) 16.977 11.747 ( -5.073 14.801 -2.652) 15.869 18.995 ( -2.505 -15.050 13.513) 20.381 19.714 ( -4.416 2.253 -0.389) 4.973 19.893 ( 1.179 10.642 7.992) 13.361 20.603 ( 5.158 11.009 -13.294) 18.015 22.447 ( 4.338 -30.912 22.467) 38.460 23.866 ( -12.985 -16.383 -19.599) 28.656 26.207 ( -10.736 4.595 15.076) 19.070 26.494 ( 5.515 -6.578 2.616) 8.974 27.569 ( 5.130 13.709 -10.633) 18.092 27.883 ( 1.813 10.986 -14.504) 18.285 29.687 ( 7.486 8.103 -1.407) 11.121 29.884 ( -2.702 2.687 -5.089) 6.358 35.128 ( 4.877 -9.853 28.555) 30.598 36.422 ( 0.924 15.717 27.773) 31.925 36.939 ( -6.638 -1.562 -27.200) 28.042 37.695 ( -1.521 3.758 -20.120) 20.524 40.300 ( 4.389 -3.222 7.945) 9.632 40.813 ( -0.801 -2.197 -8.989) 9.289 ======================= Grid point 508 (161/189) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.557 ( 1.005 10.716 17.208) 20.297 4.850 ( -1.602 5.592 20.248) 21.067 5.157 ( -0.381 1.287 -8.728) 8.831 5.591 ( 7.098 -8.736 -8.479) 14.093 6.113 ( -3.094 -2.939 -2.094) 4.754 6.282 ( 0.452 5.394 -5.481) 7.703 9.344 ( -7.014 -5.000 5.415) 10.174 9.604 ( -0.102 -14.155 -7.140) 15.854 9.902 ( 10.491 1.280 14.038) 17.572 10.515 ( -6.561 9.136 -14.505) 18.355 11.404 ( 14.989 -4.956 10.342) 18.873 11.707 ( -11.887 11.043 -4.579) 16.859 18.902 ( -2.732 -14.943 17.890) 23.469 19.585 ( -6.647 -2.416 -12.353) 14.234 20.031 ( -8.464 12.657 17.278) 23.029 20.751 ( 12.139 6.596 -13.841) 19.556 22.472 ( 12.185 -19.853 19.604) 30.446 23.340 ( -16.772 -8.457 -22.813) 29.551 26.144 ( -10.569 2.420 12.498) 16.546 26.454 ( -0.232 -10.426 -1.341) 10.515 27.737 ( 5.715 9.216 -2.030) 11.033 27.957 ( 4.146 9.250 -11.493) 15.325 29.850 ( -1.718 4.913 -0.856) 5.275 29.887 ( 8.090 5.240 -3.087) 10.121 35.337 ( 9.625 -9.502 27.853) 30.963 36.478 ( -12.358 0.224 -22.873) 25.999 36.839 ( -1.678 13.030 17.622) 21.980 37.600 ( 0.775 1.373 -13.833) 13.922 40.418 ( 6.804 -1.330 5.418) 8.799 40.723 ( -1.325 -0.647 -8.999) 9.119 ======================= Grid point 509 (162/189) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.746 ( -1.455 8.254 13.030) 15.493 4.956 ( 0.367 0.517 4.472) 4.517 5.182 ( 1.104 5.940 2.366) 6.488 5.511 ( 0.728 -9.139 -11.380) 14.614 6.088 ( 0.681 -1.606 4.675) 4.990 6.218 ( -1.648 -1.054 -5.870) 6.187 9.236 ( -2.817 -2.672 1.586) 4.194 9.433 ( 0.741 -11.802 -7.516) 14.012 10.259 ( 14.178 4.320 14.509) 20.741 10.406 ( -6.567 9.881 -12.690) 17.372 11.474 ( -18.114 7.023 -3.121) 19.677 11.684 ( 13.369 -6.707 7.608) 16.781 18.821 ( -6.017 -13.653 20.169) 25.088 19.293 ( -8.123 -8.404 -18.753) 22.097 20.080 ( -14.573 12.033 23.239) 29.954 20.946 ( 16.032 1.844 -15.197) 22.167 22.684 ( 13.038 -9.096 12.502) 20.225 22.907 ( -9.846 1.575 -21.175) 23.405 26.064 ( -8.111 -0.056 8.759) 11.938 26.296 ( -4.165 -11.056 -0.826) 11.843 27.910 ( 5.548 5.916 1.850) 8.319 28.036 ( 3.936 5.506 -7.519) 10.117 29.887 ( -0.584 6.256 1.745) 6.521 30.036 ( 6.689 2.493 -3.383) 7.900 35.602 ( 10.927 -8.942 25.653) 29.282 36.052 ( -14.412 -0.659 -29.120) 32.498 37.017 ( -8.216 10.443 20.626) 24.535 37.601 ( 7.617 -0.459 -8.160) 11.172 40.560 ( 6.673 0.561 2.701) 7.221 40.647 ( -1.328 1.901 -8.907) 9.204 ======================= Grid point 510 (163/189) ======================= q-point: (-0.25 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.797 ( -6.611 2.281 3.207) 7.693 4.952 ( -0.182 -4.365 5.648) 7.141 5.205 ( -7.404 -2.673 -0.527) 7.889 5.409 ( 0.954 3.332 -1.540) 3.792 5.979 ( -4.165 1.590 -9.766) 10.736 6.384 ( 15.821 -3.555 10.533) 19.336 9.221 ( 2.200 -0.195 -1.336) 2.581 9.306 ( 1.116 -8.146 -6.323) 10.372 10.258 ( -11.448 10.502 -11.342) 19.235 10.637 ( 12.751 1.433 9.953) 16.239 11.171 ( -20.080 7.547 -3.453) 21.728 11.877 ( 12.012 -10.211 8.806) 18.058 18.594 ( -17.430 -8.828 2.963) 19.761 19.037 ( 1.758 -15.948 -0.475) 16.052 20.085 ( -16.400 11.914 25.364) 32.469 21.120 ( 16.616 -2.804 -16.731) 23.746 22.537 ( -13.487 9.377 -18.171) 24.495 23.081 ( 19.145 -0.393 4.958) 19.780 25.976 ( -5.340 -3.569 4.258) 7.706 26.128 ( -3.728 -8.846 3.025) 10.065 28.021 ( 2.127 3.114 -1.758) 4.161 28.150 ( 7.454 3.020 1.157) 8.125 29.957 ( 0.029 5.779 1.511) 5.973 30.116 ( 3.499 0.523 -3.184) 4.760 35.545 ( -16.156 2.176 -22.488) 27.775 35.936 ( 12.540 -11.972 19.834) 26.343 37.033 ( -12.935 7.496 17.657) 23.136 37.723 ( 12.198 -2.957 -5.273) 13.613 40.575 ( -2.648 4.610 -8.298) 9.855 40.710 ( 6.363 2.348 -0.059) 6.783 ======================= Grid point 519 (164/189) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.507 ( -0.000 8.209 17.318) 19.165 4.972 ( -0.000 6.335 29.177) 29.856 5.145 ( 0.000 -4.879 -18.172) 18.815 5.452 ( 0.000 -3.032 -5.184) 6.005 6.186 ( 0.000 -6.998 -9.186) 11.548 6.204 ( -0.000 17.509 0.382) 17.513 9.510 ( -0.000 1.282 15.974) 16.025 9.609 ( 0.000 -15.545 -5.277) 16.416 9.750 ( 0.000 -10.612 2.500) 10.902 10.690 ( 0.000 9.951 -17.182) 19.856 11.014 ( -0.000 -6.212 11.878) 13.404 11.921 ( -0.000 14.583 -3.875) 15.089 18.951 ( -0.000 -16.023 14.713) 21.753 19.716 ( 0.000 1.431 -11.743) 11.830 20.100 ( -0.000 13.879 15.864) 21.078 20.564 ( 0.000 8.633 -15.408) 17.662 22.262 ( -0.000 -28.179 25.337) 37.895 23.705 ( 0.000 -14.957 -18.238) 23.587 26.345 ( 0.000 -7.589 -3.206) 8.239 26.427 ( -0.000 -1.409 12.663) 12.741 27.635 ( -0.000 17.660 -6.219) 18.723 27.883 ( 0.000 9.688 -12.115) 15.512 29.691 ( -0.000 6.898 -1.013) 6.972 29.917 ( 0.000 4.860 -3.306) 5.878 35.159 ( -0.000 -11.798 28.943) 31.255 36.736 ( -0.000 13.436 24.580) 28.012 36.817 ( 0.000 1.103 -27.843) 27.865 37.616 ( 0.000 5.888 -22.437) 23.196 40.284 ( -0.000 -4.330 10.713) 11.555 40.747 ( 0.000 -1.482 -7.984) 8.120 ======================= Grid point 520 (165/189) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.686 ( 3.067 4.770 11.234) 12.584 5.018 ( -0.896 2.040 -8.222) 8.518 5.159 ( -1.152 1.479 17.406) 17.507 5.407 ( 1.481 -1.625 -7.944) 8.242 6.063 ( -0.484 -9.299 -0.793) 9.346 6.349 ( -1.091 13.967 -6.680) 15.521 9.429 ( -0.964 -11.568 -4.591) 12.483 9.485 ( -9.113 -6.234 7.236) 13.201 9.818 ( 10.186 -1.272 12.814) 16.419 10.625 ( -5.696 10.939 -14.914) 19.353 11.142 ( 13.364 -8.769 9.003) 18.346 11.962 ( -7.408 12.051 -5.532) 15.189 18.884 ( -0.496 -16.617 17.226) 23.940 19.590 ( -5.886 -0.816 -15.566) 16.661 20.324 ( 3.926 9.190 6.663) 12.011 20.579 ( 0.384 8.913 -8.278) 12.170 22.243 ( 7.397 -20.687 25.542) 33.690 23.374 ( -10.739 -7.325 -18.125) 22.304 26.259 ( 1.206 -8.297 -2.828) 8.849 26.410 ( -5.330 -3.896 5.668) 8.702 27.776 ( 1.020 12.226 -0.972) 12.307 27.934 ( 2.428 10.047 -8.844) 13.603 29.792 ( 5.461 4.982 -1.775) 7.602 29.943 ( -1.677 6.171 -0.351) 6.404 35.272 ( 5.876 -12.349 28.533) 31.641 36.547 ( -11.749 3.351 -27.043) 29.675 37.029 ( 5.649 7.795 14.211) 17.165 37.540 ( -2.052 6.936 -15.614) 17.208 40.350 ( 4.132 -3.198 10.221) 11.479 40.688 ( -0.677 0.355 -6.800) 6.843 ======================= Grid point 521 (166/189) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.842 ( 5.010 0.614 6.583) 8.295 4.999 ( -2.000 4.243 -4.776) 6.694 5.241 ( 1.079 -0.294 9.479) 9.545 5.360 ( 0.061 -0.088 -7.719) 7.719 6.011 ( 3.839 -9.169 6.962) 12.136 6.316 ( -9.039 8.438 -10.361) 16.132 9.295 ( -1.068 -7.159 -2.968) 7.823 9.313 ( -6.931 -5.127 3.616) 9.349 10.126 ( 14.584 0.703 14.572) 20.628 10.547 ( -6.345 12.048 -13.407) 19.109 11.357 ( 16.618 -11.523 7.874) 21.701 11.834 ( -15.001 9.164 -7.043) 18.937 18.838 ( 0.997 -17.513 19.816) 26.465 19.286 ( -13.304 -4.670 -20.156) 24.598 20.494 ( 10.072 0.944 -4.749) 11.175 20.626 ( -5.205 10.967 3.063) 12.520 22.435 ( 15.211 -11.611 23.056) 29.963 23.028 ( -13.485 4.052 -17.762) 22.666 26.172 ( -0.313 -9.156 -0.333) 9.168 26.267 ( -8.029 -4.876 0.157) 9.394 27.907 ( 3.759 6.054 2.776) 7.648 28.018 ( 1.068 9.244 -6.396) 11.292 29.927 ( 6.613 3.108 -2.303) 7.662 29.982 ( -1.415 6.169 2.084) 6.663 35.473 ( 10.798 -12.458 27.607) 32.155 36.158 ( -16.749 4.042 -28.671) 33.450 37.258 ( 8.013 1.715 6.273) 10.320 37.478 ( -5.442 7.074 -6.073) 10.796 40.479 ( 6.300 -0.928 7.815) 10.081 40.648 ( -1.313 3.080 -5.691) 6.603 ======================= Grid point 522 (167/189) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.920 ( -4.157 -1.926 -6.300) 7.790 4.920 ( 0.411 -4.563 6.300) 7.790 5.323 ( 2.854 0.267 -4.832) 5.618 5.323 ( -1.195 2.605 4.832) 5.618 6.128 ( -11.389 6.907 -9.753) 16.509 6.128 ( 11.676 -6.410 9.753) 16.509 9.218 ( -0.229 -2.977 -2.515) 3.904 9.218 ( -2.464 -1.687 2.515) 3.904 10.467 ( -8.102 12.394 -11.477) 18.734 10.467 ( 14.784 -0.820 11.477) 18.734 11.563 ( -15.688 4.678 -8.580) 18.483 11.563 ( 11.895 -11.247 8.580) 18.483 18.824 ( -13.217 -9.328 -23.978) 28.925 18.824 ( -1.470 -16.110 23.978) 28.925 20.639 ( 17.776 -5.833 -24.432) 30.772 20.639 ( -13.939 12.478 24.432) 30.772 22.786 ( -9.971 12.655 -18.419) 24.471 22.786 ( 15.945 -2.307 18.419) 24.471 26.071 ( -3.761 -7.809 -3.552) 9.367 26.071 ( -4.882 -7.161 3.552) 9.367 28.059 ( 0.364 5.776 -5.307) 7.853 28.059 ( 4.820 3.203 5.307) 7.853 30.034 ( 4.563 1.826 -3.001) 5.759 30.034 ( -0.700 4.865 3.001) 5.759 35.728 ( -16.842 4.390 -26.801) 31.956 35.728 ( 12.223 -12.390 26.801) 31.956 37.412 ( 9.912 -4.277 -14.421) 18.015 37.412 ( -8.660 6.446 14.421) 18.014 40.631 ( -1.562 5.799 -5.155) 7.914 40.631 ( 5.803 1.547 5.155) 7.914 ======================= Grid point 533 (168/189) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.710 ( -0.000 0.448 -0.041) 0.450 4.986 ( 0.000 4.075 -4.225) 5.870 5.246 ( 0.000 -1.612 0.468) 1.679 5.403 ( -0.000 -0.380 7.681) 7.691 5.978 ( 0.000 -10.462 5.092) 11.636 6.463 ( 0.000 16.424 -11.270) 19.919 9.306 ( 0.000 -7.474 -4.015) 8.484 9.646 ( -0.000 -5.861 5.824) 8.262 9.713 ( -0.000 -2.683 16.839) 17.051 10.709 ( 0.000 13.604 -16.451) 21.347 10.960 ( -0.000 -13.144 9.479) 16.206 12.098 ( 0.000 10.313 -7.002) 12.465 18.821 ( -0.000 -18.069 15.706) 23.941 19.544 ( 0.000 -0.512 -15.369) 15.378 20.182 ( 0.000 -4.966 -21.381) 21.950 20.806 ( -0.000 18.243 14.231) 23.137 22.159 ( -0.000 -17.191 27.670) 32.575 23.314 ( 0.000 -2.534 -13.883) 14.113 26.134 ( 0.000 -5.322 -7.428) 9.138 26.432 ( 0.000 -8.252 3.452) 8.945 27.902 ( -0.000 12.051 0.143) 12.052 27.954 ( -0.000 9.060 -5.225) 10.458 29.781 ( -0.000 4.363 -1.421) 4.588 30.021 ( -0.000 6.178 1.097) 6.274 35.273 ( -0.000 -13.472 28.258) 31.306 36.545 ( 0.000 6.915 -27.415) 28.274 36.997 ( 0.000 -3.103 -5.293) 6.135 37.619 ( -0.000 13.313 -2.324) 13.514 40.354 ( -0.000 -3.491 12.619) 13.093 40.670 ( 0.000 2.139 -4.286) 4.790 ======================= Grid point 534 (169/189) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.741 ( 5.207 -0.380 -3.768) 6.439 5.019 ( -0.102 2.937 -2.567) 3.902 5.211 ( 1.326 -1.316 -4.434) 4.812 5.409 ( -2.178 -4.689 7.927) 9.463 5.938 ( 0.353 -7.276 9.395) 11.888 6.487 ( -5.743 13.786 -13.524) 20.148 9.236 ( -0.487 -2.428 -1.370) 2.830 9.472 ( -11.809 -5.051 8.361) 15.326 9.963 ( 13.996 -2.980 13.850) 19.915 10.679 ( -5.097 11.444 -12.150) 17.452 11.014 ( 13.303 -12.567 4.789) 18.916 12.068 ( -8.114 7.677 -8.450) 14.006 18.731 ( 0.881 -19.622 11.507) 22.764 19.355 ( -10.084 -2.584 -12.821) 16.515 20.062 ( 12.104 -8.553 -25.889) 29.832 21.022 ( -6.309 16.638 15.523) 23.613 22.268 ( 9.018 -11.691 26.580) 30.406 23.179 ( -7.902 6.429 -10.308) 14.492 26.056 ( 1.034 -4.656 -6.462) 8.032 26.314 ( -4.076 -9.240 -0.845) 10.134 27.962 ( -1.695 7.000 0.938) 7.263 28.066 ( 2.048 9.720 -2.242) 10.183 29.851 ( 4.235 3.582 -1.485) 5.743 30.077 ( -1.151 5.047 2.641) 5.812 35.370 ( 6.176 -13.545 27.115) 30.932 36.306 ( -14.244 6.453 -25.836) 30.200 36.990 ( 11.227 -6.018 -14.762) 19.499 37.710 ( -5.088 12.226 3.315) 13.652 40.439 ( 3.766 -2.102 11.877) 12.636 40.677 ( -0.610 4.445 -2.005) 4.915 ======================= Grid point 548 (170/189) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.663 ( 0.000 -0.902 -4.555) 4.644 5.054 ( -0.000 4.250 -0.273) 4.259 5.130 ( 0.000 -2.683 -7.783) 8.233 5.369 ( 0.000 -14.855 5.719) 15.917 5.974 ( -0.000 0.405 10.989) 10.997 6.575 ( 0.000 13.325 -16.737) 21.394 9.245 ( -0.000 2.516 2.174) 3.326 9.673 ( -0.000 -1.479 9.648) 9.761 9.805 ( -0.000 -8.727 14.556) 16.971 10.752 ( 0.000 -17.124 5.556) 18.003 10.797 ( 0.000 15.112 -14.206) 20.741 12.142 ( 0.000 5.087 -10.142) 11.347 18.577 ( 0.000 -20.550 3.516) 20.849 19.382 ( 0.000 -1.424 -4.456) 4.678 19.664 ( 0.000 -11.895 -28.759) 31.122 21.313 ( -0.000 14.602 9.935) 17.662 22.255 ( -0.000 -10.230 28.098) 29.903 23.282 ( -0.000 10.746 -4.146) 11.518 25.982 ( 0.000 -0.526 -7.102) 7.122 26.221 ( 0.000 -11.938 -4.061) 12.610 28.088 ( -0.000 6.208 0.971) 6.283 28.102 ( -0.000 9.517 -0.647) 9.539 29.844 ( -0.000 3.900 -0.587) 3.944 30.146 ( -0.000 3.232 2.751) 4.244 35.355 ( -0.000 -13.407 26.469) 29.671 36.385 ( 0.000 9.812 -24.180) 26.095 36.662 ( 0.000 -11.706 -18.631) 22.003 37.883 ( -0.000 11.652 0.046) 11.652 40.467 ( -0.000 -2.077 13.765) 13.920 40.729 ( -0.000 5.766 0.835) 5.827 ======================= Grid point 641 (171/189) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.672 ( -0.000 -0.000 42.282) 42.282 3.672 ( -0.000 -0.000 42.282) 42.282 5.103 ( -0.000 -0.000 37.758) 37.758 5.771 ( 0.000 0.000 -1.057) 1.057 6.273 ( 0.000 0.000 -26.024) 26.024 6.273 ( 0.000 -0.000 -26.024) 26.024 9.186 ( -0.000 -0.000 5.835) 5.835 10.455 ( 0.000 0.000 10.161) 10.161 10.455 ( -0.000 0.000 10.161) 10.161 10.688 ( 0.000 0.000 -18.237) 18.237 10.968 ( 0.000 0.000 -2.323) 2.323 10.968 ( -0.000 0.000 -2.323) 2.323 19.385 ( 0.000 0.000 6.807) 6.807 19.385 ( -0.000 -0.000 6.807) 6.807 20.035 ( 0.000 0.000 -8.168) 8.168 20.035 ( -0.000 -0.000 -8.168) 8.168 23.864 ( -0.000 -0.000 10.567) 10.567 24.879 ( 0.000 0.000 -12.300) 12.300 25.753 ( -0.000 0.000 19.703) 19.703 25.753 ( -0.000 -0.000 19.703) 19.703 27.607 ( 0.000 0.000 -23.610) 23.610 27.607 ( 0.000 0.000 -23.610) 23.610 29.178 ( -0.000 -0.000 10.211) 10.211 30.037 ( 0.000 0.000 -11.360) 11.360 35.216 ( -0.000 0.000 32.456) 32.456 35.216 ( -0.000 -0.000 32.456) 32.456 37.705 ( 0.000 0.000 -26.621) 26.621 37.705 ( 0.000 0.000 -26.621) 26.621 40.253 ( -0.000 -0.000 9.543) 9.543 41.021 ( 0.000 0.000 -9.003) 9.003 ======================= Grid point 642 (172/189) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.860 ( -0.661 -0.382 37.310) 37.318 4.095 ( 7.115 4.108 39.939) 40.775 5.440 ( 10.647 6.147 27.151) 29.804 5.638 ( -10.367 -5.985 -8.488) 14.675 5.989 ( -0.665 -0.384 -16.500) 16.518 6.293 ( 6.395 3.692 -26.445) 27.457 9.257 ( 1.841 1.063 10.108) 10.329 10.155 ( -16.657 -9.617 8.438) 21.003 10.535 ( -1.746 -1.008 -17.349) 17.466 10.626 ( -13.681 -7.899 -4.939) 16.551 10.865 ( 14.858 8.578 9.525) 19.623 11.250 ( 10.858 6.269 -2.241) 12.737 19.323 ( -6.123 -3.535 6.705) 9.743 19.493 ( 1.761 1.017 11.670) 11.845 19.858 ( -2.427 -1.401 -9.488) 9.893 20.211 ( 11.415 6.591 -8.373) 15.615 23.543 ( -26.091 -15.063 17.624) 34.903 24.597 ( -16.594 -9.581 -14.995) 24.331 25.803 ( -2.110 -1.218 19.716) 19.866 26.279 ( 21.221 12.252 16.123) 29.332 27.490 ( 6.871 3.967 -23.260) 24.576 27.524 ( 2.552 1.473 -21.795) 21.994 29.351 ( 9.369 5.409 6.593) 12.669 29.939 ( -2.337 -1.349 -10.598) 10.936 35.244 ( -5.359 -3.094 32.373) 32.960 35.673 ( 11.394 6.579 33.121) 35.639 37.339 ( -9.318 -5.380 -30.062) 31.929 37.672 ( 4.406 2.544 -23.890) 24.426 40.316 ( 0.634 0.366 8.739) 8.769 40.946 ( -1.365 -0.788 -9.473) 9.604 ======================= Grid point 643 (173/189) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.097 ( 2.458 1.419 29.765) 29.900 4.465 ( 5.101 2.945 33.379) 33.895 5.325 ( -8.200 -4.734 -14.428) 17.257 5.842 ( 11.296 6.522 11.202) 17.193 5.961 ( 2.363 1.364 -3.947) 4.799 6.233 ( 2.729 1.576 -22.562) 22.781 9.382 ( 1.394 0.805 12.503) 12.606 9.865 ( -11.436 -6.602 8.512) 15.711 10.305 ( -10.937 -6.315 -6.529) 14.217 10.378 ( -2.196 -1.268 -17.903) 18.082 11.246 ( 12.310 7.107 9.766) 17.246 11.410 ( 5.081 2.933 -2.328) 6.312 19.219 ( -7.160 -4.134 9.714) 12.756 19.608 ( -0.471 -0.272 18.479) 18.487 19.758 ( -1.202 -0.694 -13.005) 13.079 20.448 ( 14.324 8.270 -8.480) 18.587 23.141 ( -18.355 -10.597 20.264) 29.323 24.006 ( -23.746 -13.710 -21.636) 34.928 25.868 ( -3.047 -1.759 18.531) 18.862 26.679 ( 4.656 2.688 10.683) 11.960 27.506 ( 7.653 4.419 -14.637) 17.098 27.606 ( 13.789 7.961 -18.332) 24.282 29.632 ( 12.335 7.122 0.902) 14.272 29.815 ( -2.917 -1.684 -7.598) 8.311 35.382 ( -0.404 -0.233 31.420) 31.424 36.128 ( 10.160 5.866 31.614) 33.720 36.907 ( -11.273 -6.508 -32.354) 34.874 37.616 ( 2.827 1.632 -18.233) 18.523 40.397 ( 2.386 1.378 6.303) 6.879 40.843 ( -2.216 -1.279 -10.132) 10.450 ======================= Grid point 644 (174/189) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.336 ( 4.167 2.406 21.379) 21.913 4.760 ( 4.924 2.843 25.008) 25.646 5.124 ( -2.396 -1.383 -11.705) 12.028 5.938 ( -2.045 -1.181 -14.719) 14.907 6.037 ( 4.754 2.745 3.783) 6.667 6.200 ( 1.558 0.900 -5.600) 5.882 9.361 ( -7.190 -4.151 5.453) 9.933 9.855 ( 1.512 0.873 7.060) 7.273 10.108 ( -0.824 -0.476 1.541) 1.811 10.210 ( -2.824 -1.630 -17.064) 17.373 11.338 ( -4.408 -2.545 -4.095) 6.532 11.637 ( 11.169 6.448 10.125) 16.396 19.125 ( -8.383 -4.840 13.747) 16.813 19.608 ( -3.637 -2.100 -16.955) 17.467 19.687 ( -4.766 -2.751 24.269) 24.885 20.743 ( 16.167 9.334 -8.587) 20.548 22.990 ( -5.621 -3.245 16.817) 18.026 23.319 ( -21.945 -12.670 -27.471) 37.373 25.908 ( -2.868 -1.656 15.941) 16.281 26.657 ( -7.885 -4.552 2.970) 9.577 27.676 ( 10.767 6.216 -3.560) 12.932 27.814 ( 12.175 7.029 -12.703) 18.947 29.739 ( -0.340 -0.196 -2.995) 3.021 29.888 ( 10.324 5.960 -2.272) 12.135 35.612 ( 3.197 1.846 28.790) 29.025 36.433 ( -11.882 -6.860 -31.925) 34.749 36.502 ( 5.315 3.069 28.146) 28.807 37.592 ( 4.055 2.341 -11.513) 12.429 40.501 ( 3.986 2.301 3.479) 5.769 40.722 ( -2.417 -1.395 -11.115) 11.460 ======================= Grid point 645 (175/189) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.548 ( 4.609 2.661 12.979) 14.028 5.003 ( 4.418 2.550 16.940) 17.691 5.044 ( -0.069 -0.040 -6.469) 6.470 5.702 ( -9.045 -5.222 -15.297) 18.523 6.115 ( -5.061 -2.922 -7.508) 9.514 6.241 ( 9.253 5.342 11.031) 15.357 9.255 ( -2.945 -1.700 0.964) 3.535 9.784 ( -3.330 -1.923 -8.396) 9.235 10.029 ( -4.196 -2.423 -15.754) 16.482 10.382 ( 13.603 7.854 17.049) 23.181 11.110 ( -12.205 -7.047 -6.094) 15.355 11.929 ( 8.399 4.849 10.689) 14.433 18.951 ( -14.627 -8.445 7.779) 18.595 19.432 ( -2.502 -1.444 -10.099) 10.504 19.700 ( -8.524 -4.921 27.806) 29.497 21.050 ( 15.554 8.980 -9.097) 20.132 22.710 ( -15.412 -8.898 -29.531) 34.479 23.072 ( 4.294 2.479 10.763) 11.850 25.945 ( -1.630 -0.941 11.851) 11.999 26.448 ( -10.839 -6.258 1.720) 12.634 27.898 ( 9.348 5.397 0.675) 10.815 27.972 ( 7.506 4.334 -6.935) 11.100 29.764 ( 2.848 1.644 0.413) 3.315 30.061 ( 6.476 3.739 -3.103) 8.096 35.742 ( -6.985 -4.033 -6.951) 10.648 36.118 ( 1.198 0.691 3.333) 3.608 36.691 ( -3.126 -1.805 22.384) 22.673 37.679 ( 8.141 4.700 -4.058) 10.239 40.595 ( -2.178 -1.257 -12.409) 12.662 40.616 ( 4.826 2.786 1.050) 5.670 ======================= Grid point 654 (176/189) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.106 ( -0.000 -0.217 35.150) 35.150 4.372 ( -0.000 10.587 39.663) 41.052 5.543 ( -0.000 1.964 12.116) 12.274 5.688 ( 0.000 -5.713 -3.467) 6.682 5.726 ( 0.000 -5.576 -18.431) 19.256 6.182 ( 0.000 11.463 -23.363) 26.023 9.331 ( -0.000 1.730 14.153) 14.258 10.224 ( 0.000 -16.745 5.622) 17.663 10.393 ( 0.000 -10.733 -13.645) 17.360 10.629 ( 0.000 -7.509 -10.343) 12.781 10.860 ( -0.000 10.608 10.754) 15.105 11.278 ( -0.000 18.026 -2.850) 18.250 19.363 ( -0.000 -7.667 7.550) 10.761 19.583 ( -0.000 6.552 10.965) 12.773 19.782 ( 0.000 -4.489 -8.252) 9.394 20.165 ( 0.000 13.800 -10.595) 17.398 23.571 ( 0.000 -38.173 18.891) 42.592 24.533 ( 0.000 -16.110 -15.379) 22.272 26.174 ( -0.000 7.939 21.374) 22.801 26.205 ( -0.000 17.916 16.608) 24.429 27.227 ( 0.000 -0.416 -25.163) 25.166 27.489 ( 0.000 13.351 -22.038) 25.767 29.379 ( -0.000 6.240 7.918) 10.081 29.882 ( 0.000 -0.454 -10.614) 10.624 35.410 ( -0.000 -11.413 33.443) 35.337 35.918 ( -0.000 15.827 33.683) 37.216 37.164 ( 0.000 -8.499 -30.300) 31.469 37.516 ( 0.000 7.914 -27.881) 28.982 40.360 ( -0.000 -1.998 9.929) 10.128 40.885 ( 0.000 -1.608 -9.731) 9.863 ======================= Grid point 655 (177/189) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.314 ( -0.889 3.028 29.469) 29.637 4.700 ( -1.332 7.563 34.850) 35.686 5.299 ( -7.247 -6.976 -19.945) 22.338 5.689 ( 8.973 -6.738 -7.870) 13.706 5.884 ( 8.184 8.073 7.146) 13.536 6.147 ( -0.479 8.542 -17.476) 19.457 9.463 ( 1.140 1.621 16.827) 16.944 10.008 ( -8.938 -13.150 5.537) 16.837 10.166 ( -1.735 -15.601 -9.617) 18.409 10.431 ( -7.194 1.472 -15.027) 16.725 11.151 ( 13.266 5.799 10.060) 17.630 11.433 ( -0.229 14.452 -4.085) 15.020 19.300 ( -3.173 -8.481 9.620) 13.212 19.679 ( -1.409 -1.095 -5.663) 5.937 19.767 ( 1.324 7.975 10.320) 13.109 20.290 ( 7.731 11.980 -12.039) 18.661 23.258 ( -6.447 -34.001 22.356) 41.200 24.086 ( -17.750 -18.276 -19.857) 32.301 26.179 ( -12.589 8.606 19.524) 24.774 26.611 ( 10.691 -1.051 8.442) 13.663 27.243 ( 12.685 9.164 -15.628) 22.116 27.513 ( 2.276 15.853 -18.335) 24.345 29.548 ( 7.079 6.410 4.391) 10.511 29.804 ( -1.984 1.028 -8.315) 8.610 35.522 ( 1.537 -9.744 33.165) 34.601 36.317 ( 3.595 13.858 31.687) 34.771 36.819 ( -8.258 -5.226 -31.804) 33.271 37.453 ( 3.769 6.011 -25.365) 26.339 40.410 ( 1.340 -2.184 9.294) 9.641 40.794 ( -1.324 -1.890 -10.029) 10.291 ======================= Grid point 656 (178/189) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.507 ( -1.145 5.687 22.561) 23.294 4.909 ( -1.018 2.272 21.919) 22.060 5.078 ( -2.260 0.504 -11.097) 11.336 5.690 ( 8.509 -8.673 -16.101) 20.171 6.072 ( 0.730 5.471 0.818) 5.580 6.159 ( 3.386 5.265 -5.110) 8.080 9.497 ( -8.245 -5.346 9.940) 13.977 9.834 ( -1.770 -11.431 -2.388) 11.811 10.012 ( 4.569 -5.134 7.936) 10.498 10.256 ( -6.116 6.187 -16.418) 18.581 11.443 ( -3.744 8.826 -1.778) 9.751 11.518 ( 11.754 3.093 5.704) 13.426 19.238 ( -3.250 -8.544 13.868) 16.610 19.548 ( -4.255 -2.685 -14.076) 14.949 19.936 ( -3.571 8.596 19.014) 21.171 20.503 ( 14.216 9.472 -13.246) 21.617 23.043 ( -1.628 -23.115 21.713) 31.756 23.412 ( -23.362 -14.346 -25.401) 37.374 26.155 ( -11.250 4.836 16.245) 20.343 26.652 ( 1.344 -10.210 -2.226) 10.536 27.529 ( 12.367 10.306 -1.334) 16.153 27.658 ( 8.279 13.675 -12.517) 20.304 29.751 ( -1.410 3.397 -3.806) 5.293 29.768 ( 9.162 5.481 0.228) 10.679 35.701 ( 5.036 -7.531 31.623) 32.896 36.356 ( -11.189 -5.087 -30.236) 32.638 36.722 ( 1.162 12.439 25.987) 28.834 37.437 ( 5.870 4.207 -19.797) 21.073 40.483 ( 2.869 -1.030 7.237) 7.853 40.680 ( -2.320 -1.345 -10.553) 10.889 ======================= Grid point 657 (179/189) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.663 ( -1.696 6.793 14.095) 15.738 4.969 ( 3.034 0.139 -4.360) 5.314 5.117 ( -0.447 4.339 13.883) 14.552 5.586 ( 1.990 -7.615 -19.007) 20.572 6.121 ( -3.177 -1.698 -2.210) 4.226 6.210 ( 5.604 3.358 4.148) 7.739 9.329 ( -7.562 -4.925 4.509) 10.089 9.642 ( -0.087 -13.876 -8.313) 16.176 10.097 ( -6.735 9.120 -14.463) 18.377 10.312 ( 13.380 3.317 16.086) 21.185 11.300 ( -14.779 5.704 -6.937) 17.293 11.822 ( 13.766 -0.612 9.041) 16.481 19.123 ( -12.004 -8.430 3.683) 15.124 19.365 ( -0.168 -6.719 -4.267) 7.961 20.038 ( -9.319 7.003 23.370) 26.116 20.769 ( 17.484 6.586 -14.321) 23.540 22.756 ( -20.030 -6.749 -27.181) 34.432 23.034 ( 5.269 -11.849 16.516) 20.998 26.108 ( -8.213 1.538 11.521) 14.232 26.501 ( -4.213 -10.177 -2.487) 11.292 27.795 ( 8.695 6.469 1.163) 10.900 27.860 ( 8.912 8.565 -5.187) 13.405 29.774 ( 0.408 5.400 0.223) 5.420 29.957 ( 7.914 3.633 -1.912) 8.915 35.797 ( -11.375 -2.724 -12.918) 17.426 36.047 ( 6.905 -7.947 10.940) 15.183 36.953 ( -5.419 8.803 20.850) 23.271 37.513 ( 10.663 3.443 -10.426) 15.306 40.557 ( -2.556 -0.079 -9.824) 10.152 40.577 ( 3.404 0.609 3.163) 4.686 ======================= Grid point 668 (180/189) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.521 ( -0.000 2.724 24.819) 24.968 5.033 ( -0.000 7.853 33.697) 34.600 5.139 ( 0.000 -7.931 -23.879) 25.162 5.473 ( 0.000 -4.563 -13.016) 13.793 5.945 ( -0.000 10.810 3.857) 11.477 6.137 ( 0.000 5.629 -10.141) 11.599 9.589 ( -0.000 1.856 19.538) 19.626 9.907 ( 0.000 -16.788 -8.385) 18.765 10.017 ( 0.000 -15.210 3.029) 15.509 10.426 ( 0.000 3.858 -16.928) 17.362 11.124 ( -0.000 2.522 10.273) 10.578 11.580 ( -0.000 17.240 -4.915) 17.927 19.295 ( -0.000 -10.545 11.003) 15.240 19.630 ( 0.000 -0.431 -10.425) 10.434 19.936 ( -0.000 12.348 14.205) 18.822 20.264 ( 0.000 11.840 -13.998) 18.334 23.085 ( -0.000 -37.563 25.198) 45.232 23.932 ( 0.000 -20.289 -19.731) 28.301 26.460 ( 0.000 -5.769 -2.809) 6.416 26.527 ( -0.000 1.172 17.487) 17.526 27.199 ( -0.000 21.908 -6.391) 22.821 27.544 ( 0.000 16.055 -15.689) 22.447 29.575 ( -0.000 5.329 4.404) 6.913 29.796 ( 0.000 3.925 -6.785) 7.839 35.601 ( -0.000 -12.739 33.478) 35.819 36.634 ( -0.000 14.363 29.629) 32.926 36.647 ( 0.000 -3.309 -31.817) 31.989 37.316 ( 0.000 8.312 -27.720) 28.939 40.432 ( -0.000 -3.662 10.798) 11.402 40.724 ( 0.000 -1.810 -9.558) 9.728 ======================= Grid point 669 (181/189) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.692 ( 1.169 2.862 18.152) 18.414 4.926 ( -1.324 -1.328 -17.561) 17.660 5.243 ( -4.183 3.735 24.383) 25.020 5.387 ( 3.999 -3.603 -15.752) 16.647 6.103 ( 3.587 8.028 -0.293) 8.798 6.133 ( 0.593 2.598 -3.465) 4.371 9.653 ( -6.680 -6.941 9.976) 13.868 9.679 ( -2.451 -14.097 -5.118) 15.197 9.955 ( 5.539 -5.434 11.786) 14.111 10.316 ( -5.354 8.251 -17.718) 20.265 11.314 ( 12.737 -1.899 9.090) 15.762 11.659 ( -5.582 14.682 -6.470) 16.988 19.260 ( -0.437 -10.962 14.229) 17.967 19.516 ( -4.320 -1.536 -13.597) 14.349 20.174 ( 3.888 11.510 11.710) 16.873 20.323 ( 3.438 10.436 -12.105) 16.348 22.917 ( 1.499 -30.405 26.055) 40.069 23.466 ( -16.314 -15.274 -22.128) 31.450 26.405 ( 5.337 -9.117 -5.778) 12.041 26.509 ( -9.743 -0.871 8.928) 13.244 27.490 ( 8.114 16.987 3.080) 19.075 27.635 ( 2.761 14.835 -10.550) 18.412 29.694 ( 5.538 4.398 1.888) 7.320 29.803 ( -1.214 6.602 -3.205) 7.439 35.719 ( 4.286 -12.924 32.595) 35.325 36.328 ( -10.642 -0.291 -31.360) 33.117 36.968 ( 4.392 10.338 22.747) 25.369 37.265 ( 2.590 8.533 -23.061) 24.725 40.479 ( 1.589 -3.156 10.369) 10.954 40.640 ( -1.408 -0.644 -8.982) 9.115 ======================= Grid point 670 (182/189) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.853 ( 3.740 2.750 -13.641) 14.409 4.853 ( 0.511 4.614 13.641) 14.409 5.317 ( 5.532 -4.225 -18.708) 19.961 5.317 ( -6.425 2.679 18.708) 19.961 6.164 ( -1.611 1.834 -6.151) 6.618 6.164 ( 2.394 -0.478 6.151) 6.618 9.465 ( -0.775 -12.949 -7.064) 14.771 9.465 ( -10.827 -7.146 7.064) 14.771 10.208 ( -5.370 11.172 -17.016) 21.053 10.208 ( 12.360 0.936 17.016) 21.053 11.584 ( -12.101 10.758 -8.195) 18.147 11.584 ( 15.367 -5.100 8.195) 18.147 19.257 ( -9.359 -5.876 -18.996) 21.976 19.257 ( -0.410 -11.043 18.996) 21.976 20.418 ( 14.741 2.436 -20.218) 25.140 20.418 ( -5.261 13.984 20.218) 25.140 22.894 ( -20.249 -4.509 -23.640) 31.452 22.894 ( 6.219 -19.791 23.640) 31.452 26.355 ( 3.171 -10.335 -8.839) 13.964 26.355 ( -10.536 -2.421 8.839) 13.964 27.780 ( 5.161 10.891 -6.410) 13.651 27.780 ( 6.852 9.915 6.410) 13.651 29.850 ( 6.963 3.476 -0.867) 7.831 29.850 ( -0.471 7.769 0.867) 7.831 35.909 ( -14.458 1.021 -31.499) 34.673 35.909 ( 8.113 -12.011 31.499) 34.673 37.260 ( 7.921 4.269 -21.331) 23.151 37.260 ( -0.263 8.994 21.331) 23.151 40.555 ( -2.697 1.719 -8.425) 9.011 40.555 ( 2.837 -1.476 8.425) 9.011 ======================= Grid point 682 (183/189) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.692 ( 0.000 -1.916 -10.319) 10.496 4.904 ( -0.000 3.424 5.380) 6.377 5.184 ( 0.000 -0.332 -17.772) 17.775 5.529 ( -0.000 0.761 24.613) 24.625 6.132 ( -0.000 -1.481 2.053) 2.532 6.140 ( -0.000 10.843 -5.785) 12.290 9.484 ( 0.000 -13.806 -6.987) 15.473 9.832 ( 0.000 -9.405 4.935) 10.621 9.857 ( -0.000 -0.650 19.378) 19.389 10.346 ( 0.000 10.607 -18.049) 20.935 11.213 ( -0.000 -5.954 8.752) 10.585 11.810 ( -0.000 14.138 -7.698) 16.098 19.228 ( -0.000 -13.349 12.123) 18.032 19.468 ( 0.000 -0.871 -11.046) 11.080 20.101 ( 0.000 0.562 -17.846) 17.855 20.521 ( -0.000 19.090 12.418) 22.773 22.782 ( -0.000 -27.811 28.479) 39.805 23.342 ( 0.000 -11.740 -19.433) 22.704 26.191 ( 0.000 -6.761 -12.612) 14.309 26.621 ( -0.000 -7.282 6.806) 9.967 27.631 ( -0.000 17.748 5.578) 18.604 27.700 ( -0.000 13.532 -6.188) 14.880 29.696 ( -0.000 3.541 1.423) 3.816 29.876 ( -0.000 8.545 -0.863) 8.589 35.740 ( -0.000 -14.656 29.408) 32.858 36.261 ( 0.000 3.497 -27.719) 27.938 36.968 ( 0.000 1.342 -13.466) 13.532 37.345 ( -0.000 14.584 6.950) 16.155 40.502 ( -0.000 -3.630 11.833) 12.377 40.603 ( 0.000 0.999 -6.835) 6.908 ======================= Grid point 805 (184/189) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.439 ( -0.000 -0.000 38.308) 38.308 4.439 ( -0.000 -0.000 38.308) 38.308 5.610 ( -0.000 -0.000 16.172) 16.172 5.739 ( 0.000 0.000 -30.113) 30.113 5.739 ( 0.000 -0.000 -30.113) 30.113 5.775 ( -0.000 -0.000 0.925) 0.925 9.415 ( -0.000 -0.000 17.966) 17.966 10.291 ( 0.000 0.000 -23.207) 23.207 10.638 ( 0.000 -0.000 8.979) 8.979 10.638 ( -0.000 -0.000 8.979) 8.979 10.902 ( 0.000 0.000 -4.632) 4.632 10.902 ( -0.000 -0.000 -4.632) 4.632 19.529 ( 0.000 -0.000 8.235) 8.235 19.529 ( -0.000 -0.000 8.235) 8.235 19.869 ( 0.000 0.000 -9.122) 9.122 19.869 ( -0.000 -0.000 -9.122) 9.122 24.090 ( -0.000 -0.000 13.108) 13.108 24.627 ( 0.000 0.000 -14.062) 14.062 26.166 ( -0.000 -0.000 23.609) 23.609 26.166 ( -0.000 -0.000 23.609) 23.609 27.133 ( 0.000 0.000 -25.821) 25.821 27.133 ( 0.000 0.000 -25.821) 25.821 29.381 ( -0.000 -0.000 11.011) 11.011 29.817 ( 0.000 0.000 -11.711) 11.711 35.860 ( -0.000 0.000 34.836) 34.836 35.860 ( -0.000 -0.000 34.836) 34.836 37.151 ( 0.000 0.000 -31.423) 31.423 37.151 ( 0.000 0.000 -31.423) 31.423 40.443 ( -0.000 -0.000 10.361) 10.361 40.839 ( 0.000 0.000 -10.057) 10.057 ======================= Grid point 806 (185/189) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.536 ( -4.869 -2.811 33.723) 34.189 4.816 ( 4.041 2.333 35.629) 35.934 5.290 ( -10.661 -6.155 -25.782) 28.570 5.696 ( 5.438 3.140 -18.662) 19.690 5.821 ( 9.651 5.572 -3.282) 11.618 5.848 ( 4.078 2.355 -1.316) 4.890 9.556 ( 1.417 0.818 20.489) 20.555 10.139 ( -0.176 -0.101 -23.175) 23.176 10.312 ( -17.239 -9.953 7.980) 21.446 10.523 ( -14.628 -8.446 -5.860) 17.879 11.046 ( 15.243 8.800 8.659) 19.615 11.178 ( 11.104 6.411 -5.194) 13.834 19.463 ( -5.181 -2.992 7.888) 9.900 19.680 ( -4.140 -2.390 -9.117) 10.295 19.718 ( 6.200 3.579 12.052) 14.018 20.023 ( 11.049 6.379 -11.046) 16.876 23.881 ( -20.985 -12.115 17.957) 30.159 24.283 ( -20.784 -11.999 -17.752) 29.851 26.218 ( -4.217 -2.435 23.334) 23.836 26.622 ( 14.929 8.619 18.834) 25.532 27.044 ( 11.025 6.366 -23.010) 26.297 27.093 ( 7.410 4.278 -22.371) 23.951 29.502 ( 4.688 2.707 8.942) 10.453 29.738 ( -0.499 -0.288 -10.416) 10.432 35.888 ( -6.519 -3.764 34.772) 35.577 36.315 ( 10.139 5.854 33.843) 35.811 36.728 ( -10.237 -5.910 -33.804) 35.812 37.158 ( 9.118 5.264 -29.724) 31.534 40.498 ( -0.723 -0.417 10.135) 10.169 40.757 ( -1.519 -0.877 -10.366) 10.514 ======================= Grid point 807 (186/189) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.635 ( -3.478 -2.008 26.146) 26.452 4.980 ( -3.089 -1.783 -20.382) 20.692 5.052 ( -0.254 -0.146 27.475) 27.477 5.647 ( 3.905 2.254 -27.942) 28.303 5.953 ( 5.614 3.241 1.343) 6.621 6.047 ( 8.194 4.731 1.602) 9.596 9.665 ( -5.869 -3.389 15.446) 16.867 9.993 ( -0.096 -0.055 -21.743) 21.743 10.032 ( -9.809 -5.663 6.558) 13.089 10.218 ( -7.525 -4.345 0.383) 8.698 11.285 ( 3.246 1.874 -6.063) 7.128 11.458 ( 14.333 8.275 7.406) 18.132 19.415 ( -4.253 -2.456 10.086) 11.218 19.522 ( -4.636 -2.677 -11.201) 12.415 19.936 ( 4.532 2.617 15.641) 16.493 20.239 ( 14.765 8.524 -12.372) 21.065 23.539 ( -18.575 -10.725 21.206) 30.162 23.563 ( -28.475 -16.440 -24.625) 41.079 26.231 ( -6.110 -3.527 18.248) 19.564 26.775 ( -2.707 -1.563 -4.813) 5.739 27.292 ( 18.730 10.814 -13.269) 25.374 27.343 ( 16.905 9.760 1.748) 19.598 29.680 ( 0.581 0.335 -6.488) 6.523 29.687 ( 7.435 4.293 4.572) 9.727 35.996 ( -3.520 -2.032 30.042) 30.315 36.276 ( -9.969 -5.756 -31.005) 33.073 36.725 ( 7.418 4.283 29.916) 31.118 37.195 ( 9.967 5.755 -24.667) 27.220 40.546 ( -0.220 -0.127 8.929) 8.933 40.641 ( -2.664 -1.538 -10.956) 11.379 ======================= Grid point 819 (187/189) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.739 ( -0.000 -6.609 31.280) 31.971 5.089 ( -0.000 8.983 35.473) 36.593 5.143 ( 0.000 -9.545 -29.828) 31.318 5.425 ( 0.000 -1.104 -26.182) 26.205 5.811 ( -0.000 5.916 4.694) 7.552 5.897 ( -0.000 10.571 -5.483) 11.908 9.692 ( -0.000 1.173 22.606) 22.636 9.981 ( 0.000 -1.348 -22.572) 22.612 10.389 ( 0.000 -18.715 5.577) 19.528 10.472 ( 0.000 -15.839 -6.449) 17.102 11.043 ( -0.000 11.609 8.266) 14.251 11.194 ( -0.000 18.447 -5.959) 19.386 19.513 ( -0.000 -6.284 8.321) 10.428 19.620 ( 0.000 -4.878 -8.553) 9.846 19.801 ( -0.000 9.854 11.621) 15.236 19.950 ( 0.000 11.278 -11.741) 16.281 23.932 ( 0.000 -30.487 18.960) 35.902 24.219 ( 0.000 -19.492 -17.376) 26.113 26.526 ( -0.000 1.172 9.648) 9.719 26.597 ( -0.000 4.470 22.073) 22.521 26.781 ( 0.000 10.870 -14.146) 17.840 27.072 ( 0.000 19.177 -20.742) 28.248 29.547 ( -0.000 2.221 9.582) 9.836 29.684 ( 0.000 1.953 -10.129) 10.315 36.067 ( -0.000 -12.365 35.082) 37.197 36.548 ( 0.000 -7.884 -33.968) 34.871 36.556 ( -0.000 13.649 32.906) 35.625 36.945 ( 0.000 10.187 -31.779) 33.371 40.557 ( -0.000 -1.978 10.593) 10.776 40.694 ( 0.000 -1.389 -10.329) 10.422 ======================= Grid point 820 (188/189) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.843 ( -2.291 -4.161 -25.794) 26.227 4.843 ( -2.458 -4.065 25.794) 26.227 5.320 ( 7.920 -2.762 -28.042) 29.269 5.320 ( -6.352 5.478 28.042) 29.269 5.976 ( 1.790 9.396 -3.430) 10.162 5.976 ( 7.242 6.248 3.430) 10.162 9.826 ( 0.104 -3.861 -19.305) 19.687 9.826 ( -3.396 -1.841 19.305) 19.687 10.199 ( -7.092 -9.827 -9.229) 15.233 10.199 ( -4.965 -11.055 9.229) 15.233 11.321 ( -0.820 14.482 -7.552) 16.354 11.321 ( 12.952 6.531 7.552) 16.354 19.491 ( -3.633 -3.887 -10.407) 11.689 19.491 ( -1.550 -5.090 10.407) 11.689 20.036 ( 7.792 9.102 -14.343) 18.689 20.036 ( 3.986 11.299 14.343) 18.689 23.684 ( -22.092 -20.613 -22.127) 37.450 23.684 ( -6.805 -29.438 22.127) 37.450 26.539 ( 9.843 -9.680 -15.969) 21.109 26.539 ( -13.305 3.684 15.969) 21.109 27.205 ( 5.472 21.375 -11.689) 24.969 27.205 ( 15.775 15.426 11.689) 24.969 29.658 ( -0.112 4.622 -6.937) 8.337 29.658 ( 4.059 2.214 6.937) 8.337 36.170 ( -9.572 -4.979 -34.289) 35.946 36.170 ( 0.474 -10.779 34.289) 35.946 36.922 ( 8.184 8.632 -29.939) 32.216 36.922 ( 3.384 11.404 29.939) 32.216 40.599 ( -1.846 -1.299 -10.294) 10.539 40.599 ( -0.202 -2.248 10.294) 10.539 ======================= Grid point 976 (189/189) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 7.40e-04 7.40e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.128 ( 0.000 0.000 -34.208) 34.208 5.128 ( 0.000 0.000 -34.208) 34.208 5.128 ( -0.000 -0.000 34.208) 34.208 5.128 ( -0.000 -0.000 34.208) 34.208 5.772 ( 0.000 0.000 -2.646) 2.646 5.772 ( -0.000 -0.000 2.646) 2.646 9.830 ( 0.000 0.000 -24.318) 24.318 9.830 ( -0.000 -0.000 24.318) 24.318 10.791 ( 0.000 0.000 -7.012) 7.012 10.791 ( 0.000 0.000 7.012) 7.012 10.791 ( -0.000 -0.000 -7.012) 7.012 10.791 ( -0.000 -0.000 7.012) 7.012 19.695 ( 0.000 0.000 -9.102) 9.102 19.695 ( -0.000 0.000 -9.102) 9.102 19.695 ( 0.000 0.000 9.102) 9.102 19.695 ( -0.000 -0.000 9.102) 9.102 24.354 ( 0.000 0.000 -14.381) 14.381 24.354 ( -0.000 -0.000 14.381) 14.381 26.639 ( 0.000 0.000 -25.789) 25.789 26.639 ( 0.000 0.000 -25.789) 25.789 26.639 ( -0.000 -0.000 25.789) 25.789 26.639 ( -0.000 -0.000 25.789) 25.789 29.595 ( 0.000 0.000 -11.507) 11.507 29.595 ( -0.000 -0.000 11.507) 11.507 36.522 ( 0.000 0.000 -34.356) 34.356 36.522 ( 0.000 -0.000 -34.356) 34.356 36.522 ( -0.000 0.000 34.356) 34.356 36.522 ( -0.000 -0.000 34.356) 34.356 40.642 ( 0.000 0.000 -10.519) 10.519 40.642 ( -0.000 -0.000 10.519) 10.519 =================== 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 3/51840 10.0 432.112 432.112 442.713 0.000 -0.000 0.000 3/51840 20.0 1054.550 1054.550 1170.074 0.000 -0.000 0.000 3/51840 30.0 597.573 597.573 699.955 0.000 -0.000 0.000 3/51840 40.0 334.640 334.640 396.892 0.000 -0.000 0.000 3/51840 50.0 220.843 220.843 262.167 0.000 -0.000 0.000 3/51840 60.0 160.919 160.919 191.240 0.000 -0.000 0.000 3/51840 70.0 123.446 123.446 147.366 0.000 -0.000 0.000 3/51840 80.0 97.898 97.898 117.557 0.000 -0.000 0.000 3/51840 90.0 79.762 79.762 96.328 0.000 -0.000 0.000 3/51840 100.0 66.524 66.524 80.741 0.000 -0.000 0.000 3/51840 110.0 56.608 56.608 68.995 0.000 -0.000 0.000 3/51840 120.0 48.989 48.989 59.923 0.000 -0.000 0.000 3/51840 130.0 42.992 42.992 52.754 0.000 -0.000 0.000 3/51840 140.0 38.169 38.169 46.968 0.000 -0.000 0.000 3/51840 150.0 34.214 34.214 42.211 0.000 -0.000 0.000 3/51840 160.0 30.915 30.915 38.235 0.000 -0.000 0.000 3/51840 170.0 28.126 28.126 34.865 0.000 -0.000 0.000 3/51840 180.0 25.738 25.738 31.974 0.000 -0.000 0.000 3/51840 190.0 23.673 23.673 29.470 0.000 -0.000 0.000 3/51840 200.0 21.871 21.871 27.281 0.000 -0.000 0.000 3/51840 210.0 20.289 20.289 25.354 0.000 -0.000 0.000 3/51840 220.0 18.889 18.889 23.646 0.000 -0.000 0.000 3/51840 230.0 17.644 17.644 22.125 0.000 -0.000 0.000 3/51840 240.0 16.532 16.532 20.763 0.000 -0.000 0.000 3/51840 250.0 15.534 15.534 19.538 0.000 -0.000 0.000 3/51840 260.0 14.634 14.634 18.432 0.000 -0.000 0.000 3/51840 270.0 13.820 13.820 17.430 0.000 -0.000 0.000 3/51840 280.0 13.082 13.082 16.519 0.000 -0.000 0.000 3/51840 290.0 12.410 12.410 15.688 0.000 -0.000 0.000 3/51840 300.0 11.796 11.796 14.929 0.000 -0.000 0.000 3/51840 310.0 11.234 11.234 14.232 0.000 -0.000 0.000 3/51840 320.0 10.718 10.718 13.592 0.000 -0.000 0.000 3/51840 330.0 10.243 10.243 13.002 0.000 -0.000 0.000 3/51840 340.0 9.805 9.805 12.458 0.000 -0.000 0.000 3/51840 350.0 9.400 9.400 11.953 0.000 -0.000 0.000 3/51840 360.0 9.024 9.024 11.485 0.000 -0.000 0.000 3/51840 370.0 8.676 8.676 11.051 0.000 -0.000 0.000 3/51840 380.0 8.352 8.352 10.646 0.000 -0.000 0.000 3/51840 390.0 8.049 8.049 10.268 0.000 -0.000 0.000 3/51840 400.0 7.767 7.767 9.915 0.000 -0.000 0.000 3/51840 410.0 7.503 7.503 9.584 0.000 -0.000 0.000 3/51840 420.0 7.256 7.256 9.274 0.000 -0.000 0.000 3/51840 430.0 7.024 7.024 8.983 0.000 -0.000 0.000 3/51840 440.0 6.805 6.805 8.709 0.000 -0.000 0.000 3/51840 450.0 6.600 6.600 8.451 0.000 -0.000 0.000 3/51840 460.0 6.406 6.406 8.207 0.000 -0.000 0.000 3/51840 470.0 6.223 6.223 7.977 0.000 -0.000 0.000 3/51840 480.0 6.050 6.050 7.759 0.000 -0.000 0.000 3/51840 490.0 5.886 5.886 7.553 0.000 -0.000 0.000 3/51840 500.0 5.731 5.731 7.357 0.000 -0.000 0.000 3/51840 510.0 5.583 5.583 7.171 0.000 -0.000 0.000 3/51840 520.0 5.443 5.443 6.995 0.000 -0.000 0.000 3/51840 530.0 5.310 5.310 6.827 0.000 -0.000 0.000 3/51840 540.0 5.183 5.183 6.666 0.000 -0.000 0.000 3/51840 550.0 5.062 5.062 6.514 0.000 -0.000 0.000 3/51840 560.0 4.947 4.947 6.368 0.000 -0.000 0.000 3/51840 570.0 4.837 4.837 6.228 0.000 -0.000 0.000 3/51840 580.0 4.732 4.732 6.095 0.000 -0.000 0.000 3/51840 590.0 4.631 4.631 5.967 0.000 -0.000 0.000 3/51840 600.0 4.534 4.534 5.845 0.000 -0.000 0.000 3/51840 610.0 4.442 4.442 5.728 0.000 -0.000 0.000 3/51840 620.0 4.353 4.353 5.615 0.000 -0.000 0.000 3/51840 630.0 4.268 4.268 5.507 0.000 -0.000 0.000 3/51840 640.0 4.186 4.186 5.403 0.000 -0.000 0.000 3/51840 650.0 4.107 4.107 5.303 0.000 -0.000 0.000 3/51840 660.0 4.031 4.031 5.206 0.000 -0.000 0.000 3/51840 670.0 3.958 3.958 5.114 0.000 -0.000 0.000 3/51840 680.0 3.888 3.888 5.024 0.000 -0.000 0.000 3/51840 690.0 3.820 3.820 4.938 0.000 -0.000 0.000 3/51840 700.0 3.755 3.755 4.854 0.000 -0.000 0.000 3/51840 710.0 3.692 3.692 4.774 0.000 -0.000 0.000 3/51840 720.0 3.631 3.631 4.696 0.000 -0.000 0.000 3/51840 730.0 3.572 3.572 4.621 0.000 -0.000 0.000 3/51840 740.0 3.515 3.515 4.548 0.000 -0.000 0.000 3/51840 750.0 3.459 3.459 4.478 0.000 -0.000 0.000 3/51840 760.0 3.406 3.406 4.410 0.000 -0.000 0.000 3/51840 770.0 3.354 3.354 4.344 0.000 -0.000 0.000 3/51840 780.0 3.304 3.304 4.279 0.000 -0.000 0.000 3/51840 790.0 3.255 3.255 4.217 0.000 -0.000 0.000 3/51840 800.0 3.208 3.208 4.157 0.000 -0.000 0.000 3/51840 810.0 3.162 3.162 4.098 0.000 -0.000 0.000 3/51840 820.0 3.118 3.118 4.041 0.000 -0.000 0.000 3/51840 830.0 3.075 3.075 3.986 0.000 -0.000 0.000 3/51840 840.0 3.033 3.033 3.932 0.000 -0.000 0.000 3/51840 850.0 2.992 2.992 3.880 0.000 -0.000 0.000 3/51840 860.0 2.952 2.952 3.829 0.000 -0.000 0.000 3/51840 870.0 2.914 2.914 3.780 0.000 -0.000 0.000 3/51840 880.0 2.876 2.876 3.732 0.000 -0.000 0.000 3/51840 890.0 2.839 2.839 3.685 0.000 -0.000 0.000 3/51840 900.0 2.804 2.804 3.639 0.000 -0.000 0.000 3/51840 910.0 2.769 2.769 3.594 0.000 -0.000 0.000 3/51840 920.0 2.735 2.735 3.551 0.000 -0.000 0.000 3/51840 930.0 2.702 2.702 3.509 0.000 -0.000 0.000 3/51840 940.0 2.670 2.670 3.467 0.000 -0.000 0.000 3/51840 950.0 2.639 2.639 3.427 0.000 -0.000 0.000 3/51840 960.0 2.608 2.608 3.387 0.000 -0.000 0.000 3/51840 970.0 2.578 2.578 3.349 0.000 -0.000 0.000 3/51840 980.0 2.549 2.549 3.311 0.000 -0.000 0.000 3/51840 990.0 2.520 2.520 3.275 0.000 -0.000 0.000 3/51840 1000.0 2.492 2.492 3.239 0.000 -0.000 0.000 3/51840 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:36:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|