----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:10:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.442855850082056 -5.180286919999999 0.000000000000000 b 3.442855850082056 5.180286919999999 0.000000000000000 c -0.693499579795939 0.000000000000000 4.162680592072720 Atomic positions (fractional): *1 F 0.73870469508416 0.26129530491584 0.00000000000000 18.998 2 F 0.26129530491584 0.73870469508416 0.00000000000000 18.998 *3 F 0.39350460413457 0.39350460413457 0.22501178941754 18.998 *4 F 0.67221884871151 0.95348905491223 0.43841212611194 18.998 5 F 0.04651094508777 0.32778115128849 0.56158787388806 18.998 6 F 0.32778115128849 0.04651094508777 0.56158787388806 18.998 7 F 0.95348905491223 0.67221884871151 0.43841212611194 18.998 8 F 0.60649539586543 0.60649539586543 0.77498821058246 18.998 *9 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 *10 Er 0.32405161722782 0.67594838277218 0.50000000000000 167.259 11 Er 0.67594838277218 0.32405161722782 0.50000000000000 167.259 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.885711700164111 0.000000000000000 0.000000000000000 b 0.000000000000000 10.360573839999999 0.000000000000000 c -0.693499579795939 0.000000000000000 4.162680592072720 Atomic positions (fractional): *1 F 0.50000000000000 0.76129530491584 0.00000000000000 18.998 > 1 2 F 0.50000000000000 0.23870469508416 0.00000000000000 18.998 > 2 *3 F 0.39350460413457 0.00000000000000 0.22501178941754 18.998 > 3 *4 F 0.81285395181187 0.14063510310036 0.43841212611194 18.998 > 4 5 F 0.18714604818813 0.14063510310036 0.56158787388806 18.998 > 5 6 F 0.18714604818813 0.85936489689964 0.56158787388806 18.998 > 6 7 F 0.81285395181187 0.85936489689964 0.43841212611194 18.998 > 7 8 F 0.60649539586543 0.00000000000000 0.77498821058246 18.998 > 8 9 F 0.00000000000000 0.26129530491584 0.00000000000000 18.998 > 1 10 F 0.00000000000000 0.73870469508416 0.00000000000000 18.998 > 2 11 F 0.89350460413457 0.50000000000000 0.22501178941754 18.998 > 3 12 F 0.31285395181187 0.64063510310036 0.43841212611194 18.998 > 4 13 F 0.68714604818813 0.64063510310036 0.56158787388806 18.998 > 5 14 F 0.68714604818813 0.35936489689964 0.56158787388806 18.998 > 6 15 F 0.31285395181187 0.35936489689964 0.43841212611194 18.998 > 7 16 F 0.10649539586543 0.50000000000000 0.77498821058246 18.998 > 8 *17 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 9 18 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 9 *19 Er 0.50000000000000 0.17594838277218 0.50000000000000 167.259 > 10 20 Er 0.50000000000000 0.82405161722782 0.50000000000000 167.259 > 11 21 Er 0.00000000000000 0.67594838277218 0.50000000000000 167.259 > 10 22 Er 0.00000000000000 0.32405161722782 0.50000000000000 167.259 > 11 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.771423400328223 0.000000000000000 0.000000000000000 b 0.000000000000000 10.360573839999999 0.000000000000000 c -2.080498739387817 0.000000000000000 12.488041776218159 Atomic positions (fractional): *1 F 0.25000000000000 0.76129530491584 0.00000000000000 18.998 > 1 2 F 0.75000000000000 0.76129530491584 0.00000000000000 18.998 > 1 3 F 0.25000000000000 0.76129530491584 0.33333333333333 18.998 > 1 4 F 0.75000000000000 0.76129530491584 0.33333333333333 18.998 > 1 5 F 0.25000000000000 0.76129530491584 0.66666666666667 18.998 > 1 6 F 0.75000000000000 0.76129530491584 0.66666666666667 18.998 > 1 7 F 0.25000000000000 0.23870469508416 0.00000000000000 18.998 > 2 8 F 0.75000000000000 0.23870469508416 0.00000000000000 18.998 > 2 9 F 0.25000000000000 0.23870469508416 0.33333333333333 18.998 > 2 10 F 0.75000000000000 0.23870469508416 0.33333333333333 18.998 > 2 11 F 0.25000000000000 0.23870469508416 0.66666666666667 18.998 > 2 12 F 0.75000000000000 0.23870469508416 0.66666666666667 18.998 > 2 *13 F 0.19675230206728 0.00000000000000 0.07500392980585 18.998 > 3 14 F 0.69675230206728 0.00000000000000 0.07500392980585 18.998 > 3 15 F 0.19675230206728 0.00000000000000 0.40833726313918 18.998 > 3 16 F 0.69675230206728 0.00000000000000 0.40833726313918 18.998 > 3 17 F 0.19675230206728 0.00000000000000 0.74167059647251 18.998 > 3 18 F 0.69675230206728 0.00000000000000 0.74167059647251 18.998 > 3 *19 F 0.40642697590593 0.14063510310036 0.14613737537065 18.998 > 4 20 F 0.90642697590593 0.14063510310036 0.14613737537065 18.998 > 4 21 F 0.40642697590593 0.14063510310036 0.47947070870398 18.998 > 4 22 F 0.90642697590593 0.14063510310036 0.47947070870398 18.998 > 4 23 F 0.40642697590593 0.14063510310036 0.81280404203731 18.998 > 4 24 F 0.90642697590593 0.14063510310036 0.81280404203731 18.998 > 4 25 F 0.09357302409407 0.14063510310036 0.18719595796269 18.998 > 5 26 F 0.59357302409407 0.14063510310036 0.18719595796269 18.998 > 5 27 F 0.09357302409407 0.14063510310036 0.52052929129602 18.998 > 5 28 F 0.59357302409407 0.14063510310036 0.52052929129602 18.998 > 5 29 F 0.09357302409407 0.14063510310036 0.85386262462935 18.998 > 5 30 F 0.59357302409407 0.14063510310036 0.85386262462935 18.998 > 5 31 F 0.09357302409407 0.85936489689964 0.18719595796269 18.998 > 6 32 F 0.59357302409407 0.85936489689964 0.18719595796269 18.998 > 6 33 F 0.09357302409407 0.85936489689964 0.52052929129602 18.998 > 6 34 F 0.59357302409407 0.85936489689964 0.52052929129602 18.998 > 6 35 F 0.09357302409407 0.85936489689964 0.85386262462935 18.998 > 6 36 F 0.59357302409407 0.85936489689964 0.85386262462935 18.998 > 6 37 F 0.40642697590593 0.85936489689964 0.14613737537065 18.998 > 7 38 F 0.90642697590593 0.85936489689964 0.14613737537065 18.998 > 7 39 F 0.40642697590593 0.85936489689964 0.47947070870398 18.998 > 7 40 F 0.90642697590593 0.85936489689964 0.47947070870398 18.998 > 7 41 F 0.40642697590593 0.85936489689964 0.81280404203731 18.998 > 7 42 F 0.90642697590593 0.85936489689964 0.81280404203731 18.998 > 7 43 F 0.30324769793272 0.00000000000000 0.25832940352749 18.998 > 8 44 F 0.80324769793272 0.00000000000000 0.25832940352749 18.998 > 8 45 F 0.30324769793272 0.00000000000000 0.59166273686082 18.998 > 8 46 F 0.80324769793272 0.00000000000000 0.59166273686082 18.998 > 8 47 F 0.30324769793272 0.00000000000000 0.92499607019415 18.998 > 8 48 F 0.80324769793272 0.00000000000000 0.92499607019415 18.998 > 8 49 F 0.00000000000000 0.26129530491584 0.00000000000000 18.998 > 1 50 F 0.50000000000000 0.26129530491584 0.00000000000000 18.998 > 1 51 F 0.00000000000000 0.26129530491584 0.33333333333333 18.998 > 1 52 F 0.50000000000000 0.26129530491584 0.33333333333333 18.998 > 1 53 F 0.00000000000000 0.26129530491584 0.66666666666667 18.998 > 1 54 F 0.50000000000000 0.26129530491584 0.66666666666667 18.998 > 1 55 F 0.00000000000000 0.73870469508416 0.00000000000000 18.998 > 2 56 F 0.50000000000000 0.73870469508416 0.00000000000000 18.998 > 2 57 F 0.00000000000000 0.73870469508416 0.33333333333333 18.998 > 2 58 F 0.50000000000000 0.73870469508416 0.33333333333333 18.998 > 2 59 F 0.00000000000000 0.73870469508416 0.66666666666667 18.998 > 2 60 F 0.50000000000000 0.73870469508416 0.66666666666667 18.998 > 2 61 F 0.44675230206728 0.50000000000000 0.07500392980585 18.998 > 3 62 F 0.94675230206728 0.50000000000000 0.07500392980585 18.998 > 3 63 F 0.44675230206728 0.50000000000000 0.40833726313918 18.998 > 3 64 F 0.94675230206728 0.50000000000000 0.40833726313918 18.998 > 3 65 F 0.44675230206728 0.50000000000000 0.74167059647251 18.998 > 3 66 F 0.94675230206728 0.50000000000000 0.74167059647251 18.998 > 3 67 F 0.15642697590593 0.64063510310036 0.14613737537065 18.998 > 4 68 F 0.65642697590593 0.64063510310036 0.14613737537065 18.998 > 4 69 F 0.15642697590593 0.64063510310036 0.47947070870398 18.998 > 4 70 F 0.65642697590593 0.64063510310036 0.47947070870398 18.998 > 4 71 F 0.15642697590593 0.64063510310036 0.81280404203731 18.998 > 4 72 F 0.65642697590593 0.64063510310036 0.81280404203731 18.998 > 4 73 F 0.34357302409407 0.64063510310036 0.18719595796269 18.998 > 5 74 F 0.84357302409407 0.64063510310036 0.18719595796269 18.998 > 5 75 F 0.34357302409407 0.64063510310036 0.52052929129602 18.998 > 5 76 F 0.84357302409407 0.64063510310036 0.52052929129602 18.998 > 5 77 F 0.34357302409407 0.64063510310036 0.85386262462935 18.998 > 5 78 F 0.84357302409407 0.64063510310036 0.85386262462935 18.998 > 5 79 F 0.34357302409407 0.35936489689964 0.18719595796269 18.998 > 6 80 F 0.84357302409407 0.35936489689964 0.18719595796269 18.998 > 6 81 F 0.34357302409407 0.35936489689964 0.52052929129602 18.998 > 6 82 F 0.84357302409407 0.35936489689964 0.52052929129602 18.998 > 6 83 F 0.34357302409407 0.35936489689964 0.85386262462935 18.998 > 6 84 F 0.84357302409407 0.35936489689964 0.85386262462935 18.998 > 6 85 F 0.15642697590593 0.35936489689964 0.14613737537065 18.998 > 7 86 F 0.65642697590593 0.35936489689964 0.14613737537065 18.998 > 7 87 F 0.15642697590593 0.35936489689964 0.47947070870398 18.998 > 7 88 F 0.65642697590593 0.35936489689964 0.47947070870398 18.998 > 7 89 F 0.15642697590593 0.35936489689964 0.81280404203731 18.998 > 7 90 F 0.65642697590593 0.35936489689964 0.81280404203731 18.998 > 7 91 F 0.05324769793272 0.50000000000000 0.25832940352749 18.998 > 8 92 F 0.55324769793272 0.50000000000000 0.25832940352749 18.998 > 8 93 F 0.05324769793272 0.50000000000000 0.59166273686082 18.998 > 8 94 F 0.55324769793272 0.50000000000000 0.59166273686082 18.998 > 8 95 F 0.05324769793272 0.50000000000000 0.92499607019415 18.998 > 8 96 F 0.55324769793272 0.50000000000000 0.92499607019415 18.998 > 8 *97 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 9 98 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 9 99 Ba 0.00000000000000 0.00000000000000 0.33333333333333 137.327 > 9 100 Ba 0.50000000000000 0.00000000000000 0.33333333333333 137.327 > 9 101 Ba 0.00000000000000 0.00000000000000 0.66666666666667 137.327 > 9 102 Ba 0.50000000000000 0.00000000000000 0.66666666666667 137.327 > 9 103 Ba 0.25000000000000 0.50000000000000 0.00000000000000 137.327 > 9 104 Ba 0.75000000000000 0.50000000000000 0.00000000000000 137.327 > 9 105 Ba 0.25000000000000 0.50000000000000 0.33333333333333 137.327 > 9 106 Ba 0.75000000000000 0.50000000000000 0.33333333333333 137.327 > 9 107 Ba 0.25000000000000 0.50000000000000 0.66666666666667 137.327 > 9 108 Ba 0.75000000000000 0.50000000000000 0.66666666666667 137.327 > 9 *109 Er 0.25000000000000 0.17594838277218 0.16666666666667 167.259 > 10 110 Er 0.75000000000000 0.17594838277218 0.16666666666667 167.259 > 10 111 Er 0.25000000000000 0.17594838277218 0.50000000000000 167.259 > 10 112 Er 0.75000000000000 0.17594838277218 0.50000000000000 167.259 > 10 113 Er 0.25000000000000 0.17594838277218 0.83333333333333 167.259 > 10 114 Er 0.75000000000000 0.17594838277218 0.83333333333333 167.259 > 10 115 Er 0.25000000000000 0.82405161722782 0.16666666666667 167.259 > 11 116 Er 0.75000000000000 0.82405161722782 0.16666666666667 167.259 > 11 117 Er 0.25000000000000 0.82405161722782 0.50000000000000 167.259 > 11 118 Er 0.75000000000000 0.82405161722782 0.50000000000000 167.259 > 11 119 Er 0.25000000000000 0.82405161722782 0.83333333333333 167.259 > 11 120 Er 0.75000000000000 0.82405161722782 0.83333333333333 167.259 > 11 121 Er 0.00000000000000 0.67594838277218 0.16666666666667 167.259 > 10 122 Er 0.50000000000000 0.67594838277218 0.16666666666667 167.259 > 10 123 Er 0.00000000000000 0.67594838277218 0.50000000000000 167.259 > 10 124 Er 0.50000000000000 0.67594838277218 0.50000000000000 167.259 > 10 125 Er 0.00000000000000 0.67594838277218 0.83333333333333 167.259 > 10 126 Er 0.50000000000000 0.67594838277218 0.83333333333333 167.259 > 10 127 Er 0.00000000000000 0.32405161722782 0.16666666666667 167.259 > 11 128 Er 0.50000000000000 0.32405161722782 0.16666666666667 167.259 > 11 129 Er 0.00000000000000 0.32405161722782 0.50000000000000 167.259 > 11 130 Er 0.50000000000000 0.32405161722782 0.50000000000000 167.259 > 11 131 Er 0.00000000000000 0.32405161722782 0.83333333333333 167.259 > 11 132 Er 0.50000000000000 0.32405161722782 0.83333333333333 167.259 > 11 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5961787 0.0000000 -0.0100510 0.0000000 2.6510290 0.0000000 -0.0100567 0.0000000 2.5630172 -------------------------- Born effective charges -------------------------- 1 F -0.7616653 0.0000000 0.1757979 0.0000000 -1.1269119 0.0000000 0.2128834 0.0000000 -1.9547516 2 F -0.7616653 0.0000000 0.1757979 0.0000000 -1.1269119 0.0000000 0.2128834 0.0000000 -1.9547516 3 F -1.0778379 0.0000000 -0.2901178 0.0000000 -1.6453902 0.0000000 -0.2655659 0.0000000 -1.0197182 4 F -1.6263361 -0.0437441 0.0812007 -0.0764771 -1.2329186 -0.0365007 0.0614159 -0.0526222 -0.9655041 5 F -1.6263361 0.0437441 0.0812007 0.0764771 -1.2329186 0.0365007 0.0614159 0.0526222 -0.9655041 6 F -1.6263361 -0.0437441 0.0812007 -0.0764771 -1.2329186 -0.0365007 0.0614159 -0.0526222 -0.9655041 7 F -1.6263361 0.0437441 0.0812007 0.0764771 -1.2329186 0.0365007 0.0614159 0.0526222 -0.9655041 8 F -1.0778379 0.0000000 -0.2901178 0.0000000 -1.6453902 0.0000000 -0.2655659 0.0000000 -1.0197182 9 Ba 2.6178873 0.0000000 0.0461234 0.0000000 2.8064828 0.0000000 0.1055414 0.0000000 2.7220083 10 Er 3.7832318 0.0000000 -0.0711432 0.0000000 3.8348979 0.0000000 -0.1229200 0.0000000 3.5444738 11 Er 3.7832318 0.0000000 -0.0711432 0.0000000 3.8348979 0.0000000 -0.1229200 0.0000000 3.5444738 ---------------------------------------------------------------------------- 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: 396/396 Permutation basis: 8628/8628 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1771 Number of blocks in projector: 1771 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 403 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 240 Use standard eigh solver. Tree of FC basis block matrices: - (1771, 1743), data: False |-- (240, 235), data: True |-- (240, 235), data: True |-- (240, 235), data: True |-- (324, 322), data: True |-- (324, 322), data: True |-- (403, 394), data: True ----- Solver_atoms: 1 -- 132 / 132 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 3.205 Solver_block: 200 / 400 - Time: 3.270 Solver_block: 300 / 400 - Time: 3.268 Solver_block: 400 / 400 - Time: 3.249 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.037 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 396/396 Permutation basis: 8628/8628 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1771 Number of blocks in projector: 1771 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 403 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 240 Use standard eigh solver. Tree of FC basis block matrices: - (1771, 1743), data: False |-- (240, 235), data: True |-- (240, 235), data: True |-- (240, 235), data: True |-- (324, 322), data: True |-- (324, 322), data: True |-- (403, 394), 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 00:10:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:10:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.442855850082056 -5.180286919999999 0.000000000000000 b 3.442855850082056 5.180286919999999 0.000000000000000 c -0.693499579795939 0.000000000000000 4.162680592072720 Atomic positions (fractional): 1 F 0.73870469508416 0.26129530491584 0.00000000000000 18.998 2 F 0.26129530491584 0.73870469508416 0.00000000000000 18.998 3 F 0.39350460413457 0.39350460413457 0.22501178941754 18.998 4 F 0.67221884871151 0.95348905491223 0.43841212611194 18.998 5 F 0.04651094508777 0.32778115128849 0.56158787388806 18.998 6 F 0.32778115128849 0.04651094508777 0.56158787388806 18.998 7 F 0.95348905491223 0.67221884871151 0.43841212611194 18.998 8 F 0.60649539586543 0.60649539586543 0.77498821058246 18.998 9 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 10 Er 0.32405161722782 0.67594838277218 0.50000000000000 167.259 11 Er 0.67594838277218 0.32405161722782 0.50000000000000 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.771423400328223 0.000000000000000 0.000000000000000 b 0.000000000000000 10.360573839999999 0.000000000000000 c -2.080498739387817 0.000000000000000 12.488041776218159 Atomic positions (fractional): 1 F 0.25000000000000 0.76129530491584 0.00000000000000 18.998 > 1 2 F 0.75000000000000 0.76129530491584 0.00000000000000 18.998 > 1 3 F 0.25000000000000 0.76129530491584 0.33333333333333 18.998 > 1 4 F 0.75000000000000 0.76129530491584 0.33333333333333 18.998 > 1 5 F 0.25000000000000 0.76129530491584 0.66666666666667 18.998 > 1 6 F 0.75000000000000 0.76129530491584 0.66666666666667 18.998 > 1 7 F 0.25000000000000 0.23870469508416 0.00000000000000 18.998 > 7 8 F 0.75000000000000 0.23870469508416 0.00000000000000 18.998 > 7 9 F 0.25000000000000 0.23870469508416 0.33333333333333 18.998 > 7 10 F 0.75000000000000 0.23870469508416 0.33333333333333 18.998 > 7 11 F 0.25000000000000 0.23870469508416 0.66666666666667 18.998 > 7 12 F 0.75000000000000 0.23870469508416 0.66666666666667 18.998 > 7 13 F 0.19675230206728 0.00000000000000 0.07500392980585 18.998 > 13 14 F 0.69675230206728 0.00000000000000 0.07500392980585 18.998 > 13 15 F 0.19675230206728 0.00000000000000 0.40833726313918 18.998 > 13 16 F 0.69675230206728 0.00000000000000 0.40833726313918 18.998 > 13 17 F 0.19675230206728 0.00000000000000 0.74167059647251 18.998 > 13 18 F 0.69675230206728 0.00000000000000 0.74167059647251 18.998 > 13 19 F 0.40642697590593 0.14063510310036 0.14613737537065 18.998 > 19 20 F 0.90642697590593 0.14063510310036 0.14613737537065 18.998 > 19 21 F 0.40642697590593 0.14063510310036 0.47947070870398 18.998 > 19 22 F 0.90642697590593 0.14063510310036 0.47947070870398 18.998 > 19 23 F 0.40642697590593 0.14063510310036 0.81280404203731 18.998 > 19 24 F 0.90642697590593 0.14063510310036 0.81280404203731 18.998 > 19 25 F 0.09357302409407 0.14063510310036 0.18719595796269 18.998 > 25 26 F 0.59357302409407 0.14063510310036 0.18719595796269 18.998 > 25 27 F 0.09357302409407 0.14063510310036 0.52052929129602 18.998 > 25 28 F 0.59357302409407 0.14063510310036 0.52052929129602 18.998 > 25 29 F 0.09357302409407 0.14063510310036 0.85386262462935 18.998 > 25 30 F 0.59357302409407 0.14063510310036 0.85386262462935 18.998 > 25 31 F 0.09357302409407 0.85936489689964 0.18719595796269 18.998 > 31 32 F 0.59357302409407 0.85936489689964 0.18719595796269 18.998 > 31 33 F 0.09357302409407 0.85936489689964 0.52052929129602 18.998 > 31 34 F 0.59357302409407 0.85936489689964 0.52052929129602 18.998 > 31 35 F 0.09357302409407 0.85936489689964 0.85386262462935 18.998 > 31 36 F 0.59357302409407 0.85936489689964 0.85386262462935 18.998 > 31 37 F 0.40642697590593 0.85936489689964 0.14613737537065 18.998 > 37 38 F 0.90642697590593 0.85936489689964 0.14613737537065 18.998 > 37 39 F 0.40642697590593 0.85936489689964 0.47947070870398 18.998 > 37 40 F 0.90642697590593 0.85936489689964 0.47947070870398 18.998 > 37 41 F 0.40642697590593 0.85936489689964 0.81280404203731 18.998 > 37 42 F 0.90642697590593 0.85936489689964 0.81280404203731 18.998 > 37 43 F 0.30324769793272 0.00000000000000 0.25832940352749 18.998 > 43 44 F 0.80324769793272 0.00000000000000 0.25832940352749 18.998 > 43 45 F 0.30324769793272 0.00000000000000 0.59166273686082 18.998 > 43 46 F 0.80324769793272 0.00000000000000 0.59166273686082 18.998 > 43 47 F 0.30324769793272 0.00000000000000 0.92499607019415 18.998 > 43 48 F 0.80324769793272 0.00000000000000 0.92499607019415 18.998 > 43 49 F 0.00000000000000 0.26129530491584 0.00000000000000 18.998 > 1 50 F 0.50000000000000 0.26129530491584 0.00000000000000 18.998 > 1 51 F 0.00000000000000 0.26129530491584 0.33333333333333 18.998 > 1 52 F 0.50000000000000 0.26129530491584 0.33333333333333 18.998 > 1 53 F 0.00000000000000 0.26129530491584 0.66666666666667 18.998 > 1 54 F 0.50000000000000 0.26129530491584 0.66666666666667 18.998 > 1 55 F 0.00000000000000 0.73870469508416 0.00000000000000 18.998 > 7 56 F 0.50000000000000 0.73870469508416 0.00000000000000 18.998 > 7 57 F 0.00000000000000 0.73870469508416 0.33333333333333 18.998 > 7 58 F 0.50000000000000 0.73870469508416 0.33333333333333 18.998 > 7 59 F 0.00000000000000 0.73870469508416 0.66666666666667 18.998 > 7 60 F 0.50000000000000 0.73870469508416 0.66666666666667 18.998 > 7 61 F 0.44675230206728 0.50000000000000 0.07500392980585 18.998 > 13 62 F 0.94675230206728 0.50000000000000 0.07500392980585 18.998 > 13 63 F 0.44675230206728 0.50000000000000 0.40833726313918 18.998 > 13 64 F 0.94675230206728 0.50000000000000 0.40833726313918 18.998 > 13 65 F 0.44675230206728 0.50000000000000 0.74167059647251 18.998 > 13 66 F 0.94675230206728 0.50000000000000 0.74167059647251 18.998 > 13 67 F 0.15642697590593 0.64063510310036 0.14613737537065 18.998 > 19 68 F 0.65642697590593 0.64063510310036 0.14613737537065 18.998 > 19 69 F 0.15642697590593 0.64063510310036 0.47947070870398 18.998 > 19 70 F 0.65642697590593 0.64063510310036 0.47947070870398 18.998 > 19 71 F 0.15642697590593 0.64063510310036 0.81280404203731 18.998 > 19 72 F 0.65642697590593 0.64063510310036 0.81280404203731 18.998 > 19 73 F 0.34357302409407 0.64063510310036 0.18719595796269 18.998 > 25 74 F 0.84357302409407 0.64063510310036 0.18719595796269 18.998 > 25 75 F 0.34357302409407 0.64063510310036 0.52052929129602 18.998 > 25 76 F 0.84357302409407 0.64063510310036 0.52052929129602 18.998 > 25 77 F 0.34357302409407 0.64063510310036 0.85386262462935 18.998 > 25 78 F 0.84357302409407 0.64063510310036 0.85386262462935 18.998 > 25 79 F 0.34357302409407 0.35936489689964 0.18719595796269 18.998 > 31 80 F 0.84357302409407 0.35936489689964 0.18719595796269 18.998 > 31 81 F 0.34357302409407 0.35936489689964 0.52052929129602 18.998 > 31 82 F 0.84357302409407 0.35936489689964 0.52052929129602 18.998 > 31 83 F 0.34357302409407 0.35936489689964 0.85386262462935 18.998 > 31 84 F 0.84357302409407 0.35936489689964 0.85386262462935 18.998 > 31 85 F 0.15642697590593 0.35936489689964 0.14613737537065 18.998 > 37 86 F 0.65642697590593 0.35936489689964 0.14613737537065 18.998 > 37 87 F 0.15642697590593 0.35936489689964 0.47947070870398 18.998 > 37 88 F 0.65642697590593 0.35936489689964 0.47947070870398 18.998 > 37 89 F 0.15642697590593 0.35936489689964 0.81280404203731 18.998 > 37 90 F 0.65642697590593 0.35936489689964 0.81280404203731 18.998 > 37 91 F 0.05324769793272 0.50000000000000 0.25832940352749 18.998 > 43 92 F 0.55324769793272 0.50000000000000 0.25832940352749 18.998 > 43 93 F 0.05324769793272 0.50000000000000 0.59166273686082 18.998 > 43 94 F 0.55324769793272 0.50000000000000 0.59166273686082 18.998 > 43 95 F 0.05324769793272 0.50000000000000 0.92499607019415 18.998 > 43 96 F 0.55324769793272 0.50000000000000 0.92499607019415 18.998 > 43 97 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 97 98 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 97 99 Ba 0.00000000000000 0.00000000000000 0.33333333333333 137.327 > 97 100 Ba 0.50000000000000 0.00000000000000 0.33333333333333 137.327 > 97 101 Ba 0.00000000000000 0.00000000000000 0.66666666666667 137.327 > 97 102 Ba 0.50000000000000 0.00000000000000 0.66666666666667 137.327 > 97 103 Ba 0.25000000000000 0.50000000000000 0.00000000000000 137.327 > 97 104 Ba 0.75000000000000 0.50000000000000 0.00000000000000 137.327 > 97 105 Ba 0.25000000000000 0.50000000000000 0.33333333333333 137.327 > 97 106 Ba 0.75000000000000 0.50000000000000 0.33333333333333 137.327 > 97 107 Ba 0.25000000000000 0.50000000000000 0.66666666666667 137.327 > 97 108 Ba 0.75000000000000 0.50000000000000 0.66666666666667 137.327 > 97 109 Er 0.25000000000000 0.17594838277218 0.16666666666667 167.259 > 109 110 Er 0.75000000000000 0.17594838277218 0.16666666666667 167.259 > 109 111 Er 0.25000000000000 0.17594838277218 0.50000000000000 167.259 > 109 112 Er 0.75000000000000 0.17594838277218 0.50000000000000 167.259 > 109 113 Er 0.25000000000000 0.17594838277218 0.83333333333333 167.259 > 109 114 Er 0.75000000000000 0.17594838277218 0.83333333333333 167.259 > 109 115 Er 0.25000000000000 0.82405161722782 0.16666666666667 167.259 > 115 116 Er 0.75000000000000 0.82405161722782 0.16666666666667 167.259 > 115 117 Er 0.25000000000000 0.82405161722782 0.50000000000000 167.259 > 115 118 Er 0.75000000000000 0.82405161722782 0.50000000000000 167.259 > 115 119 Er 0.25000000000000 0.82405161722782 0.83333333333333 167.259 > 115 120 Er 0.75000000000000 0.82405161722782 0.83333333333333 167.259 > 115 121 Er 0.00000000000000 0.67594838277218 0.16666666666667 167.259 > 109 122 Er 0.50000000000000 0.67594838277218 0.16666666666667 167.259 > 109 123 Er 0.00000000000000 0.67594838277218 0.50000000000000 167.259 > 109 124 Er 0.50000000000000 0.67594838277218 0.50000000000000 167.259 > 109 125 Er 0.00000000000000 0.67594838277218 0.83333333333333 167.259 > 109 126 Er 0.50000000000000 0.67594838277218 0.83333333333333 167.259 > 109 127 Er 0.00000000000000 0.32405161722782 0.16666666666667 167.259 > 115 128 Er 0.50000000000000 0.32405161722782 0.16666666666667 167.259 > 115 129 Er 0.00000000000000 0.32405161722782 0.50000000000000 167.259 > 115 130 Er 0.50000000000000 0.32405161722782 0.50000000000000 167.259 > 115 131 Er 0.00000000000000 0.32405161722782 0.83333333333333 167.259 > 115 132 Er 0.50000000000000 0.32405161722782 0.83333333333333 167.259 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5961787 0.0000000 -0.0100510 0.0000000 2.6510290 0.0000000 -0.0100567 0.0000000 2.5630172 -------------------------- Born effective charges -------------------------- 1 F -0.7616653 0.0000000 0.1757979 0.0000000 -1.1269119 0.0000000 0.2128834 0.0000000 -1.9547516 2 F -0.7616653 0.0000000 0.1757979 0.0000000 -1.1269119 0.0000000 0.2128834 0.0000000 -1.9547516 3 F -1.0778379 0.0000000 -0.2901178 0.0000000 -1.6453902 0.0000000 -0.2655659 0.0000000 -1.0197182 4 F -1.6263361 -0.0437441 0.0812007 -0.0764771 -1.2329186 -0.0365007 0.0614159 -0.0526222 -0.9655041 5 F -1.6263361 0.0437441 0.0812007 0.0764771 -1.2329186 0.0365007 0.0614159 0.0526222 -0.9655041 6 F -1.6263361 -0.0437441 0.0812007 -0.0764771 -1.2329186 -0.0365007 0.0614159 -0.0526222 -0.9655041 7 F -1.6263361 0.0437441 0.0812007 0.0764771 -1.2329186 0.0365007 0.0614159 0.0526222 -0.9655041 8 F -1.0778379 0.0000000 -0.2901178 0.0000000 -1.6453902 0.0000000 -0.2655659 0.0000000 -1.0197182 9 Ba 2.6178873 0.0000000 0.0461234 0.0000000 2.8064828 0.0000000 0.1055414 0.0000000 2.7220083 10 Er 3.7832318 0.0000000 -0.0711432 0.0000000 3.8348979 0.0000000 -0.1229200 0.0000000 3.5444738 11 Er 3.7832318 0.0000000 -0.0711432 0.0000000 3.8348979 0.0000000 -0.1229200 0.0000000 3.5444738 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 109, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyx) 0.00000000 (yyx) 0.00000000 (yxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:10:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:10:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.442855850082056 -5.180286919999999 0.000000000000000 b 3.442855850082056 5.180286919999999 0.000000000000000 c -0.693499579795939 0.000000000000000 4.162680592072720 Atomic positions (fractional): 1 F 0.73870469508416 0.26129530491584 0.00000000000000 18.998 2 F 0.26129530491584 0.73870469508416 0.00000000000000 18.998 3 F 0.39350460413457 0.39350460413457 0.22501178941754 18.998 4 F 0.67221884871151 0.95348905491223 0.43841212611194 18.998 5 F 0.04651094508777 0.32778115128849 0.56158787388806 18.998 6 F 0.32778115128849 0.04651094508777 0.56158787388806 18.998 7 F 0.95348905491223 0.67221884871151 0.43841212611194 18.998 8 F 0.60649539586543 0.60649539586543 0.77498821058246 18.998 9 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 10 Er 0.32405161722782 0.67594838277218 0.50000000000000 167.259 11 Er 0.67594838277218 0.32405161722782 0.50000000000000 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.771423400328223 0.000000000000000 0.000000000000000 b 0.000000000000000 10.360573839999999 0.000000000000000 c -2.080498739387817 0.000000000000000 12.488041776218159 Atomic positions (fractional): 1 F 0.25000000000000 0.76129530491584 0.00000000000000 18.998 > 1 2 F 0.75000000000000 0.76129530491584 0.00000000000000 18.998 > 1 3 F 0.25000000000000 0.76129530491584 0.33333333333333 18.998 > 1 4 F 0.75000000000000 0.76129530491584 0.33333333333333 18.998 > 1 5 F 0.25000000000000 0.76129530491584 0.66666666666667 18.998 > 1 6 F 0.75000000000000 0.76129530491584 0.66666666666667 18.998 > 1 7 F 0.25000000000000 0.23870469508416 0.00000000000000 18.998 > 7 8 F 0.75000000000000 0.23870469508416 0.00000000000000 18.998 > 7 9 F 0.25000000000000 0.23870469508416 0.33333333333333 18.998 > 7 10 F 0.75000000000000 0.23870469508416 0.33333333333333 18.998 > 7 11 F 0.25000000000000 0.23870469508416 0.66666666666667 18.998 > 7 12 F 0.75000000000000 0.23870469508416 0.66666666666667 18.998 > 7 13 F 0.19675230206728 0.00000000000000 0.07500392980585 18.998 > 13 14 F 0.69675230206728 0.00000000000000 0.07500392980585 18.998 > 13 15 F 0.19675230206728 0.00000000000000 0.40833726313918 18.998 > 13 16 F 0.69675230206728 0.00000000000000 0.40833726313918 18.998 > 13 17 F 0.19675230206728 0.00000000000000 0.74167059647251 18.998 > 13 18 F 0.69675230206728 0.00000000000000 0.74167059647251 18.998 > 13 19 F 0.40642697590593 0.14063510310036 0.14613737537065 18.998 > 19 20 F 0.90642697590593 0.14063510310036 0.14613737537065 18.998 > 19 21 F 0.40642697590593 0.14063510310036 0.47947070870398 18.998 > 19 22 F 0.90642697590593 0.14063510310036 0.47947070870398 18.998 > 19 23 F 0.40642697590593 0.14063510310036 0.81280404203731 18.998 > 19 24 F 0.90642697590593 0.14063510310036 0.81280404203731 18.998 > 19 25 F 0.09357302409407 0.14063510310036 0.18719595796269 18.998 > 25 26 F 0.59357302409407 0.14063510310036 0.18719595796269 18.998 > 25 27 F 0.09357302409407 0.14063510310036 0.52052929129602 18.998 > 25 28 F 0.59357302409407 0.14063510310036 0.52052929129602 18.998 > 25 29 F 0.09357302409407 0.14063510310036 0.85386262462935 18.998 > 25 30 F 0.59357302409407 0.14063510310036 0.85386262462935 18.998 > 25 31 F 0.09357302409407 0.85936489689964 0.18719595796269 18.998 > 31 32 F 0.59357302409407 0.85936489689964 0.18719595796269 18.998 > 31 33 F 0.09357302409407 0.85936489689964 0.52052929129602 18.998 > 31 34 F 0.59357302409407 0.85936489689964 0.52052929129602 18.998 > 31 35 F 0.09357302409407 0.85936489689964 0.85386262462935 18.998 > 31 36 F 0.59357302409407 0.85936489689964 0.85386262462935 18.998 > 31 37 F 0.40642697590593 0.85936489689964 0.14613737537065 18.998 > 37 38 F 0.90642697590593 0.85936489689964 0.14613737537065 18.998 > 37 39 F 0.40642697590593 0.85936489689964 0.47947070870398 18.998 > 37 40 F 0.90642697590593 0.85936489689964 0.47947070870398 18.998 > 37 41 F 0.40642697590593 0.85936489689964 0.81280404203731 18.998 > 37 42 F 0.90642697590593 0.85936489689964 0.81280404203731 18.998 > 37 43 F 0.30324769793272 0.00000000000000 0.25832940352749 18.998 > 43 44 F 0.80324769793272 0.00000000000000 0.25832940352749 18.998 > 43 45 F 0.30324769793272 0.00000000000000 0.59166273686082 18.998 > 43 46 F 0.80324769793272 0.00000000000000 0.59166273686082 18.998 > 43 47 F 0.30324769793272 0.00000000000000 0.92499607019415 18.998 > 43 48 F 0.80324769793272 0.00000000000000 0.92499607019415 18.998 > 43 49 F 0.00000000000000 0.26129530491584 0.00000000000000 18.998 > 1 50 F 0.50000000000000 0.26129530491584 0.00000000000000 18.998 > 1 51 F 0.00000000000000 0.26129530491584 0.33333333333333 18.998 > 1 52 F 0.50000000000000 0.26129530491584 0.33333333333333 18.998 > 1 53 F 0.00000000000000 0.26129530491584 0.66666666666667 18.998 > 1 54 F 0.50000000000000 0.26129530491584 0.66666666666667 18.998 > 1 55 F 0.00000000000000 0.73870469508416 0.00000000000000 18.998 > 7 56 F 0.50000000000000 0.73870469508416 0.00000000000000 18.998 > 7 57 F 0.00000000000000 0.73870469508416 0.33333333333333 18.998 > 7 58 F 0.50000000000000 0.73870469508416 0.33333333333333 18.998 > 7 59 F 0.00000000000000 0.73870469508416 0.66666666666667 18.998 > 7 60 F 0.50000000000000 0.73870469508416 0.66666666666667 18.998 > 7 61 F 0.44675230206728 0.50000000000000 0.07500392980585 18.998 > 13 62 F 0.94675230206728 0.50000000000000 0.07500392980585 18.998 > 13 63 F 0.44675230206728 0.50000000000000 0.40833726313918 18.998 > 13 64 F 0.94675230206728 0.50000000000000 0.40833726313918 18.998 > 13 65 F 0.44675230206728 0.50000000000000 0.74167059647251 18.998 > 13 66 F 0.94675230206728 0.50000000000000 0.74167059647251 18.998 > 13 67 F 0.15642697590593 0.64063510310036 0.14613737537065 18.998 > 19 68 F 0.65642697590593 0.64063510310036 0.14613737537065 18.998 > 19 69 F 0.15642697590593 0.64063510310036 0.47947070870398 18.998 > 19 70 F 0.65642697590593 0.64063510310036 0.47947070870398 18.998 > 19 71 F 0.15642697590593 0.64063510310036 0.81280404203731 18.998 > 19 72 F 0.65642697590593 0.64063510310036 0.81280404203731 18.998 > 19 73 F 0.34357302409407 0.64063510310036 0.18719595796269 18.998 > 25 74 F 0.84357302409407 0.64063510310036 0.18719595796269 18.998 > 25 75 F 0.34357302409407 0.64063510310036 0.52052929129602 18.998 > 25 76 F 0.84357302409407 0.64063510310036 0.52052929129602 18.998 > 25 77 F 0.34357302409407 0.64063510310036 0.85386262462935 18.998 > 25 78 F 0.84357302409407 0.64063510310036 0.85386262462935 18.998 > 25 79 F 0.34357302409407 0.35936489689964 0.18719595796269 18.998 > 31 80 F 0.84357302409407 0.35936489689964 0.18719595796269 18.998 > 31 81 F 0.34357302409407 0.35936489689964 0.52052929129602 18.998 > 31 82 F 0.84357302409407 0.35936489689964 0.52052929129602 18.998 > 31 83 F 0.34357302409407 0.35936489689964 0.85386262462935 18.998 > 31 84 F 0.84357302409407 0.35936489689964 0.85386262462935 18.998 > 31 85 F 0.15642697590593 0.35936489689964 0.14613737537065 18.998 > 37 86 F 0.65642697590593 0.35936489689964 0.14613737537065 18.998 > 37 87 F 0.15642697590593 0.35936489689964 0.47947070870398 18.998 > 37 88 F 0.65642697590593 0.35936489689964 0.47947070870398 18.998 > 37 89 F 0.15642697590593 0.35936489689964 0.81280404203731 18.998 > 37 90 F 0.65642697590593 0.35936489689964 0.81280404203731 18.998 > 37 91 F 0.05324769793272 0.50000000000000 0.25832940352749 18.998 > 43 92 F 0.55324769793272 0.50000000000000 0.25832940352749 18.998 > 43 93 F 0.05324769793272 0.50000000000000 0.59166273686082 18.998 > 43 94 F 0.55324769793272 0.50000000000000 0.59166273686082 18.998 > 43 95 F 0.05324769793272 0.50000000000000 0.92499607019415 18.998 > 43 96 F 0.55324769793272 0.50000000000000 0.92499607019415 18.998 > 43 97 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 97 98 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 97 99 Ba 0.00000000000000 0.00000000000000 0.33333333333333 137.327 > 97 100 Ba 0.50000000000000 0.00000000000000 0.33333333333333 137.327 > 97 101 Ba 0.00000000000000 0.00000000000000 0.66666666666667 137.327 > 97 102 Ba 0.50000000000000 0.00000000000000 0.66666666666667 137.327 > 97 103 Ba 0.25000000000000 0.50000000000000 0.00000000000000 137.327 > 97 104 Ba 0.75000000000000 0.50000000000000 0.00000000000000 137.327 > 97 105 Ba 0.25000000000000 0.50000000000000 0.33333333333333 137.327 > 97 106 Ba 0.75000000000000 0.50000000000000 0.33333333333333 137.327 > 97 107 Ba 0.25000000000000 0.50000000000000 0.66666666666667 137.327 > 97 108 Ba 0.75000000000000 0.50000000000000 0.66666666666667 137.327 > 97 109 Er 0.25000000000000 0.17594838277218 0.16666666666667 167.259 > 109 110 Er 0.75000000000000 0.17594838277218 0.16666666666667 167.259 > 109 111 Er 0.25000000000000 0.17594838277218 0.50000000000000 167.259 > 109 112 Er 0.75000000000000 0.17594838277218 0.50000000000000 167.259 > 109 113 Er 0.25000000000000 0.17594838277218 0.83333333333333 167.259 > 109 114 Er 0.75000000000000 0.17594838277218 0.83333333333333 167.259 > 109 115 Er 0.25000000000000 0.82405161722782 0.16666666666667 167.259 > 115 116 Er 0.75000000000000 0.82405161722782 0.16666666666667 167.259 > 115 117 Er 0.25000000000000 0.82405161722782 0.50000000000000 167.259 > 115 118 Er 0.75000000000000 0.82405161722782 0.50000000000000 167.259 > 115 119 Er 0.25000000000000 0.82405161722782 0.83333333333333 167.259 > 115 120 Er 0.75000000000000 0.82405161722782 0.83333333333333 167.259 > 115 121 Er 0.00000000000000 0.67594838277218 0.16666666666667 167.259 > 109 122 Er 0.50000000000000 0.67594838277218 0.16666666666667 167.259 > 109 123 Er 0.00000000000000 0.67594838277218 0.50000000000000 167.259 > 109 124 Er 0.50000000000000 0.67594838277218 0.50000000000000 167.259 > 109 125 Er 0.00000000000000 0.67594838277218 0.83333333333333 167.259 > 109 126 Er 0.50000000000000 0.67594838277218 0.83333333333333 167.259 > 109 127 Er 0.00000000000000 0.32405161722782 0.16666666666667 167.259 > 115 128 Er 0.50000000000000 0.32405161722782 0.16666666666667 167.259 > 115 129 Er 0.00000000000000 0.32405161722782 0.50000000000000 167.259 > 115 130 Er 0.50000000000000 0.32405161722782 0.50000000000000 167.259 > 115 131 Er 0.00000000000000 0.32405161722782 0.83333333333333 167.259 > 115 132 Er 0.50000000000000 0.32405161722782 0.83333333333333 167.259 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5961787 0.0000000 -0.0100510 0.0000000 2.6510290 0.0000000 -0.0100567 0.0000000 2.5630172 -------------------------- Born effective charges -------------------------- 1 F -0.7616653 0.0000000 0.1757979 0.0000000 -1.1269119 0.0000000 0.2128834 0.0000000 -1.9547516 2 F -0.7616653 0.0000000 0.1757979 0.0000000 -1.1269119 0.0000000 0.2128834 0.0000000 -1.9547516 3 F -1.0778379 0.0000000 -0.2901178 0.0000000 -1.6453902 0.0000000 -0.2655659 0.0000000 -1.0197182 4 F -1.6263361 -0.0437441 0.0812007 -0.0764771 -1.2329186 -0.0365007 0.0614159 -0.0526222 -0.9655041 5 F -1.6263361 0.0437441 0.0812007 0.0764771 -1.2329186 0.0365007 0.0614159 0.0526222 -0.9655041 6 F -1.6263361 -0.0437441 0.0812007 -0.0764771 -1.2329186 -0.0365007 0.0614159 -0.0526222 -0.9655041 7 F -1.6263361 0.0437441 0.0812007 0.0764771 -1.2329186 0.0365007 0.0614159 0.0526222 -0.9655041 8 F -1.0778379 0.0000000 -0.2901178 0.0000000 -1.6453902 0.0000000 -0.2655659 0.0000000 -1.0197182 9 Ba 2.6178873 0.0000000 0.0461234 0.0000000 2.8064828 0.0000000 0.1055414 0.0000000 2.7220083 10 Er 3.7832318 0.0000000 -0.0711432 0.0000000 3.8348979 0.0000000 -0.1229200 0.0000000 3.5444738 11 Er 3.7832318 0.0000000 -0.0711432 0.0000000 3.8348979 0.0000000 -0.1229200 0.0000000 3.5444738 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyx) 0.00000000 (yyx) 0.00000000 (yxy) 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 ... [ 9 9 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: 0.78, Number of G-points: 299, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/275) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.271 ( 0.000 0.000 0.000) 0.000 2.571 ( 0.000 0.000 0.000) 0.000 3.200 ( 0.000 0.000 0.000) 0.000 3.372 ( 0.000 0.000 0.000) 0.000 3.945 ( 0.000 0.000 0.000) 0.000 4.221 ( 0.000 0.000 0.000) 0.000 4.865 ( 0.000 0.000 0.000) 0.000 5.098 ( 0.000 0.000 0.000) 0.000 5.397 ( 0.000 0.000 0.000) 0.000 5.542 ( 0.000 0.000 0.000) 0.000 5.919 ( 0.000 0.000 0.000) 0.000 6.741 ( 0.000 0.000 0.000) 0.000 6.881 ( 0.000 0.000 0.000) 0.000 7.194 ( 0.000 0.000 0.000) 0.000 7.379 ( 0.000 0.000 0.000) 0.000 7.475 ( 0.000 0.000 0.000) 0.000 7.879 ( 0.000 0.000 0.000) 0.000 7.922 ( 0.000 0.000 0.000) 0.000 7.927 ( 0.000 0.000 0.000) 0.000 9.236 ( 0.000 0.000 0.000) 0.000 9.883 ( 0.000 0.000 0.000) 0.000 9.892 ( 0.000 0.000 0.000) 0.000 10.305 ( 0.000 0.000 0.000) 0.000 10.450 ( 0.000 0.000 0.000) 0.000 10.860 ( 0.000 0.000 0.000) 0.000 11.447 ( 0.000 0.000 0.000) 0.000 11.813 ( 0.000 0.000 0.000) 0.000 11.872 ( 0.000 0.000 0.000) 0.000 12.905 ( 0.000 0.000 0.000) 0.000 13.787 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/275) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( 16.890 -13.543 7.910) 23.049 0.558 ( 13.731 -31.519 -3.041) 34.514 0.898 ( 47.543 -9.768 0.618) 48.540 2.262 ( -0.295 1.462 0.961) 1.774 2.548 ( -2.531 0.505 0.320) 2.600 3.222 ( 1.850 -1.903 -2.935) 3.957 3.463 ( -1.298 12.154 2.670) 12.512 3.925 ( -6.591 3.353 -2.884) 7.937 4.546 ( 1.053 15.446 27.283) 31.369 4.813 ( -7.529 -2.733 -0.047) 8.010 5.075 ( -4.410 -1.331 1.280) 4.781 5.427 ( 1.743 -2.401 4.116) 5.074 5.753 ( 17.386 13.967 -20.768) 30.474 5.962 ( 2.257 -1.936 -8.395) 8.906 6.778 ( 3.787 3.627 4.088) 6.649 6.889 ( 0.368 0.138 2.639) 2.668 7.264 ( -6.515 -6.334 5.113) 10.426 7.485 ( -0.340 -2.262 -3.449) 4.138 7.650 ( -0.324 -1.277 -9.203) 9.297 7.897 ( -1.535 3.700 4.482) 6.011 7.994 ( 6.575 -9.874 -3.218) 12.291 9.232 ( -0.499 -0.641 -3.400) 3.496 9.430 ( -9.993 -5.081 26.188) 28.487 9.920 ( -3.627 -4.455 2.985) 6.474 10.258 ( 2.375 1.277 4.289) 5.066 10.507 ( 6.879 0.812 -3.825) 7.912 10.883 ( 1.716 -1.034 1.356) 2.419 11.425 ( -4.419 -3.274 -3.224) 6.375 11.824 ( 1.410 0.094 0.152) 1.421 11.855 ( 0.667 -0.458 -16.142) 16.163 12.834 ( -8.420 -3.505 4.052) 9.980 12.921 ( 19.458 25.597 -14.863) 35.422 13.876 ( -8.552 -10.953 -2.841) 14.184 ======================= Grid point 2 (3/275) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 16.224 -12.258 6.305) 21.290 1.096 ( 12.744 -30.040 -2.599) 32.735 1.710 ( 40.226 -5.661 0.683) 40.628 2.247 ( 0.953 1.176 3.086) 3.437 2.485 ( -4.162 0.485 -0.255) 4.198 3.263 ( -2.800 4.568 -3.836) 6.589 3.268 ( -5.187 1.943 -2.526) 6.088 3.727 ( -3.166 14.427 -4.233) 15.365 4.454 ( -5.234 7.293 18.008) 20.121 4.720 ( -5.930 -2.104 0.247) 6.297 4.979 ( -9.002 -0.439 0.948) 9.062 5.529 ( 4.115 -4.338 8.577) 10.455 5.824 ( 10.179 7.272 -11.432) 16.947 6.007 ( 5.073 -0.591 -13.901) 14.809 6.806 ( 2.956 2.863 -3.794) 5.598 6.899 ( 0.778 1.621 7.153) 7.375 7.260 ( -1.175 -2.453 4.589) 5.335 7.482 ( -0.430 -0.261 -4.100) 4.130 7.643 ( -0.908 -1.562 -2.465) 3.056 7.827 ( -3.145 3.854 4.253) 6.545 8.252 ( 11.838 -10.783 -3.088) 16.308 9.211 ( -1.650 -0.467 -2.633) 3.142 9.431 ( 3.548 4.780 13.031) 14.327 9.826 ( -9.410 2.057 5.181) 10.937 10.370 ( 1.838 -9.044 3.751) 9.962 10.631 ( 12.595 2.315 -2.168) 12.988 10.937 ( 2.421 -1.234 3.253) 4.238 11.359 ( -7.987 -5.770 -6.031) 11.552 11.811 ( -2.044 -0.517 -12.524) 12.700 11.859 ( 3.035 -0.101 -0.763) 3.131 12.726 ( -13.493 -6.129 8.914) 17.294 12.906 ( 13.669 20.522 -10.002) 26.609 13.835 ( -6.175 -4.759 -1.043) 7.866 ======================= Grid point 3 (4/275) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 14.756 -10.320 3.829) 18.409 1.584 ( 9.631 -26.583 -2.021) 28.346 2.058 ( 4.624 7.740 4.126) 9.915 2.391 ( -0.593 0.352 2.219) 2.323 2.532 ( 20.436 -7.350 -2.768) 21.894 3.022 ( -7.117 7.508 -4.114) 11.133 3.203 ( -6.040 5.124 -1.164) 8.006 3.580 ( 3.508 8.750 -6.126) 11.243 4.317 ( -8.964 3.459 12.555) 15.810 4.682 ( -1.547 -0.498 1.601) 2.282 4.814 ( -10.742 0.272 0.024) 10.746 5.688 ( 4.867 -5.478 12.684) 14.648 5.855 ( 4.697 4.674 -5.968) 8.917 6.052 ( 5.744 1.099 -18.930) 19.813 6.775 ( -2.685 0.866 -2.090) 3.511 6.926 ( 3.540 3.510 4.842) 6.950 7.297 ( 1.044 -2.007 3.412) 4.094 7.462 ( -0.116 0.971 -2.922) 3.082 7.631 ( -2.249 -1.814 -1.201) 3.129 7.750 ( -2.619 3.289 4.061) 5.846 8.563 ( 12.855 -10.365 -3.997) 16.990 9.186 ( -0.959 -0.011 -0.720) 1.199 9.477 ( 4.630 8.196 5.548) 10.927 9.664 ( -7.488 1.269 6.770) 10.174 10.459 ( -1.888 -6.541 1.119) 6.900 10.856 ( 17.113 3.126 0.577) 17.405 11.002 ( 2.072 -2.275 6.232) 6.950 11.268 ( -9.113 -7.177 -7.270) 13.690 11.731 ( -4.326 -0.286 -11.544) 12.332 11.920 ( 4.419 -0.602 -1.744) 4.789 12.583 ( -13.083 -3.252 8.972) 16.194 12.878 ( 8.634 13.784 -6.015) 17.341 13.780 ( -4.821 -2.283 -0.403) 5.350 ======================= Grid point 4 (5/275) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 11.982 -7.418 0.973) 14.126 1.794 ( -6.649 -1.678 0.012) 6.857 2.160 ( 10.654 -10.154 2.911) 15.003 2.358 ( -1.503 0.561 0.080) 1.607 2.583 ( -8.963 9.842 -2.711) 13.585 3.040 ( -1.802 3.300 -0.204) 3.765 3.123 ( 12.787 -2.191 -1.987) 13.125 3.550 ( -0.421 2.478 -2.138) 3.300 4.194 ( -4.677 1.223 4.809) 6.818 4.628 ( -4.649 1.090 0.649) 4.819 4.711 ( -1.312 -0.696 0.151) 1.493 5.840 ( -0.209 -6.660 8.987) 11.188 5.858 ( 4.273 4.765 0.348) 6.409 6.052 ( 2.132 1.858 -14.372) 14.647 6.721 ( -2.064 0.172 0.217) 2.083 6.951 ( 1.708 1.685 1.299) 2.729 7.337 ( 0.509 -1.114 1.481) 1.921 7.448 ( 0.443 0.893 -1.234) 1.587 7.608 ( -1.721 -0.914 -0.321) 1.975 7.704 ( -0.779 1.343 1.582) 2.217 8.827 ( 7.757 -6.262 -2.948) 10.396 9.176 ( -0.306 0.059 0.184) 0.362 9.375 ( -4.427 5.905 2.523) 7.799 9.654 ( 1.697 0.176 2.970) 3.425 10.476 ( -1.368 -2.229 0.208) 2.624 11.002 ( 4.949 3.489 1.296) 6.192 11.116 ( 4.969 -0.355 2.699) 5.665 11.212 ( -3.584 -6.472 -2.015) 7.668 11.630 ( -3.951 0.268 -6.568) 7.670 11.991 ( 3.171 -0.638 -1.652) 3.632 12.449 ( -6.655 -0.409 4.550) 8.072 12.861 ( 3.002 4.806 -1.989) 6.005 13.738 ( -1.941 -0.694 -0.103) 2.063 ======================= Grid point 10 (6/275) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 18.942 -0.000 -1.554) 19.005 0.780 ( 22.726 -0.000 0.441) 22.730 1.667 ( 47.147 -0.000 2.671) 47.222 2.269 ( -0.240 0.000 2.976) 2.986 2.487 ( -5.316 0.000 0.135) 5.318 3.229 ( 1.287 -0.000 -4.000) 4.201 3.381 ( -12.745 0.000 -3.417) 13.195 3.903 ( -1.066 0.000 -4.644) 4.764 4.551 ( -11.675 0.000 18.181) 21.607 4.713 ( -5.212 0.000 7.151) 8.849 4.931 ( -9.660 0.000 -0.113) 9.661 5.467 ( 3.199 -0.000 7.351) 8.017 5.972 ( 4.360 -0.000 -8.098) 9.197 6.038 ( 12.961 -0.000 -27.800) 30.673 6.809 ( -6.146 0.000 1.427) 6.310 6.921 ( 6.298 -0.000 8.620) 10.675 7.137 ( -2.553 0.000 -1.615) 3.022 7.416 ( -4.389 0.000 7.142) 8.383 7.772 ( 8.710 -0.000 -7.340) 11.391 7.868 ( -1.516 0.000 -4.760) 4.995 8.100 ( 10.305 -0.000 4.443) 11.222 9.202 ( -0.862 0.000 -0.924) 1.264 9.506 ( 6.662 -0.000 14.607) 16.055 9.847 ( -5.697 0.000 5.771) 8.109 10.252 ( -0.110 0.000 4.029) 4.031 10.667 ( 12.175 -0.000 -3.012) 12.542 10.876 ( -0.782 0.000 -0.699) 1.049 11.295 ( -6.456 0.000 -5.077) 8.214 11.804 ( -1.152 0.000 -17.451) 17.489 11.858 ( 2.687 -0.000 0.078) 2.688 12.653 ( -12.140 0.000 12.047) 17.103 13.252 ( 9.105 -0.000 -13.192) 16.029 13.696 ( -5.919 0.000 0.879) 5.984 ======================= Grid point 11 (7/275) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 16.899 -16.209 1.345) 23.454 1.160 ( 19.651 -6.623 -2.505) 20.888 2.200 ( 4.940 4.480 2.661) 7.180 2.386 ( -2.903 -0.488 1.103) 3.144 2.435 ( 27.909 -2.270 2.058) 28.077 3.131 ( -12.461 2.708 -5.752) 13.990 3.220 ( -2.844 -0.964 -3.830) 4.867 3.831 ( 1.047 9.281 -6.706) 11.498 4.392 ( -10.912 2.302 13.610) 17.595 4.661 ( -2.919 -0.254 5.792) 6.491 4.773 ( -12.459 -3.114 0.547) 12.854 5.571 ( 4.097 -3.612 9.784) 11.205 6.013 ( 5.708 3.322 -10.602) 12.490 6.109 ( 9.959 7.152 -21.145) 24.443 6.721 ( -8.217 -5.022 1.115) 9.695 7.002 ( 2.752 3.978 1.121) 4.965 7.140 ( -2.810 -8.877 1.155) 9.383 7.375 ( -4.403 -2.072 7.115) 8.620 7.798 ( 0.711 5.445 -4.456) 7.072 7.858 ( 6.120 6.764 -0.165) 9.123 8.346 ( 12.755 -8.174 -0.467) 15.156 9.189 ( -0.400 0.159 -1.114) 1.194 9.644 ( 9.807 5.949 7.329) 13.612 9.723 ( -9.373 2.776 8.177) 12.745 10.310 ( 1.241 -5.588 1.398) 5.893 10.845 ( -3.580 -6.327 -4.550) 8.576 10.898 ( 13.927 -0.532 -1.764) 14.048 11.207 ( -3.597 -0.249 0.934) 3.725 11.725 ( -2.954 -0.200 -17.024) 17.279 11.911 ( 3.711 -0.208 0.421) 3.741 12.502 ( -12.589 -2.229 14.630) 19.429 13.246 ( 6.409 16.306 -7.014) 18.872 13.651 ( -6.763 -9.191 -0.581) 11.426 ======================= Grid point 12 (8/275) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 14.630 -12.026 3.725) 19.301 1.528 ( 13.100 -13.116 -4.961) 19.190 2.135 ( -2.720 4.876 1.587) 5.804 2.333 ( -3.105 -2.656 0.006) 4.086 2.707 ( -5.954 3.246 -1.846) 7.028 3.110 ( 18.509 1.013 -1.774) 18.621 3.121 ( -7.744 0.831 -2.183) 8.089 3.731 ( 2.652 12.087 -5.109) 13.388 4.246 ( -6.208 3.332 8.206) 10.815 4.609 ( -9.995 -2.540 2.083) 10.521 4.660 ( -2.054 -3.524 1.959) 4.525 5.707 ( 2.762 -5.224 9.608) 11.279 6.018 ( 5.539 7.730 -7.957) 12.400 6.111 ( 4.096 4.892 -15.881) 17.115 6.661 ( -6.385 -5.768 1.400) 8.717 6.957 ( -4.465 -0.929 -3.160) 5.548 7.188 ( -5.887 -9.657 1.915) 11.471 7.371 ( 0.568 -0.621 4.919) 4.990 7.729 ( -1.199 4.035 -1.108) 4.352 7.880 ( 9.355 12.181 -1.732) 15.456 8.640 ( 11.103 -9.670 -2.067) 14.868 9.181 ( 0.030 0.366 -0.214) 0.425 9.519 ( -10.069 6.250 8.121) 14.367 9.747 ( 7.713 7.590 1.520) 10.927 10.388 ( 1.156 -5.341 -0.160) 5.467 10.807 ( -10.572 -14.076 -8.932) 19.740 11.139 ( 8.300 2.051 1.097) 8.620 11.213 ( 8.372 0.882 7.598) 11.340 11.631 ( -2.583 0.127 -14.916) 15.138 11.980 ( 3.588 -0.423 1.372) 3.865 12.378 ( -10.789 -3.412 14.405) 18.318 13.115 ( 1.360 15.372 -4.002) 15.942 13.657 ( -2.935 -6.998 -1.658) 7.767 ======================= Grid point 13 (9/275) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 0.414 0.468 -1.590) 1.708 1.708 ( 6.460 -5.901 1.177) 8.828 2.171 ( 5.406 -10.698 -3.642) 12.527 2.332 ( -0.452 -1.986 -0.061) 2.037 2.478 ( -11.200 4.550 -1.920) 12.240 2.998 ( -5.737 -2.127 0.325) 6.127 3.275 ( 1.377 9.753 2.105) 10.073 3.624 ( 0.811 9.253 -0.178) 9.290 4.198 ( 3.056 1.696 -2.214) 4.137 4.562 ( -0.239 -4.608 1.553) 4.869 4.682 ( -0.377 -3.507 1.008) 3.668 5.793 ( -0.218 -2.622 2.574) 3.681 5.987 ( 2.231 6.520 -12.984) 14.700 6.055 ( -1.681 3.399 5.814) 6.941 6.657 ( -2.200 -5.405 1.870) 6.128 6.885 ( -6.131 -4.683 -6.603) 10.155 7.166 ( -11.245 -11.758 3.797) 16.707 7.418 ( 4.164 1.758 0.469) 4.545 7.684 ( 0.388 2.012 -0.993) 2.277 7.892 ( 10.277 13.899 -2.517) 17.468 8.846 ( 2.427 -4.583 -0.152) 5.189 9.180 ( 0.322 0.454 0.579) 0.804 9.341 ( -5.367 3.362 5.279) 8.244 9.733 ( 1.494 6.899 -4.176) 8.202 10.472 ( 3.934 -2.595 -0.655) 4.758 10.768 ( -10.887 -14.519 -6.941) 19.430 11.132 ( -3.608 1.367 1.982) 4.337 11.389 ( 10.138 6.497 2.323) 12.263 11.613 ( 4.655 -1.167 -4.383) 6.499 12.008 ( -2.133 0.849 5.070) 5.566 12.343 ( -3.654 -7.160 10.354) 13.108 12.968 ( 0.079 11.196 -3.464) 11.719 13.697 ( 0.831 -4.303 -1.570) 4.655 ======================= Grid point 14 (10/275) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -10.776 10.401 -1.718) 15.075 1.889 ( 1.856 -6.818 -3.720) 7.986 2.044 ( -12.616 13.855 -2.643) 18.924 2.360 ( 1.301 -2.370 -0.985) 2.877 2.573 ( 6.006 -13.477 0.588) 14.766 2.959 ( -10.696 3.376 2.218) 11.433 3.059 ( 0.486 3.682 3.820) 5.328 3.553 ( -3.226 3.734 3.796) 6.226 4.272 ( 7.434 -0.679 -10.972) 13.271 4.647 ( 2.221 -3.813 0.532) 4.445 4.764 ( 6.219 -3.956 1.384) 7.500 5.748 ( -4.889 2.079 -7.870) 9.496 5.899 ( 0.378 4.700 -8.222) 9.478 6.032 ( -4.384 0.549 20.005) 20.487 6.693 ( -3.083 -6.108 3.864) 7.858 6.842 ( -2.183 -5.030 -11.518) 12.757 7.114 ( -13.199 -13.737 4.944) 19.681 7.456 ( 3.739 3.098 -0.374) 4.871 7.697 ( 2.747 -0.356 -2.473) 3.714 7.900 ( 10.281 14.236 -2.794) 17.781 8.755 ( -10.607 6.790 5.336) 13.678 9.190 ( 1.275 0.275 0.660) 1.462 9.332 ( -0.373 -4.135 -2.049) 4.630 9.690 ( 4.486 3.410 -6.612) 8.687 10.549 ( 4.493 1.453 -0.695) 4.773 10.706 ( -12.947 -10.819 -2.885) 17.117 11.019 ( -6.834 1.462 -4.856) 8.510 11.450 ( 7.953 7.923 3.668) 11.810 11.728 ( 6.068 -0.812 2.713) 6.697 11.938 ( -5.659 1.048 5.866) 8.218 12.435 ( -3.635 -12.483 9.716) 16.231 12.885 ( 5.603 9.640 -4.468) 12.012 13.766 ( 3.104 -3.031 -0.961) 4.443 ======================= Grid point 15 (11/275) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -12.192 14.019 -3.905) 18.985 1.531 ( -27.595 9.152 -4.808) 29.468 1.979 ( 2.465 11.458 1.458) 11.810 2.332 ( -8.129 12.452 -2.156) 15.026 2.468 ( -2.017 1.656 2.317) 3.490 3.035 ( 6.524 -12.755 2.048) 14.472 3.210 ( 5.489 -12.024 0.715) 13.237 3.474 ( -4.451 -1.660 5.474) 7.248 4.345 ( 2.591 -2.653 -13.827) 14.315 4.737 ( 6.380 -1.211 0.342) 6.503 4.921 ( 5.297 -4.707 1.114) 7.173 5.604 ( -4.990 3.357 -7.635) 9.719 5.831 ( -2.330 5.088 0.194) 5.599 6.007 ( -3.983 -0.615 15.216) 15.741 6.696 ( -5.802 -6.871 3.188) 9.542 6.848 ( -0.217 -3.173 -10.441) 10.915 7.082 ( -10.566 -15.194 3.756) 18.884 7.472 ( 2.161 2.952 1.355) 3.901 7.755 ( 3.921 -1.108 -3.541) 5.398 7.899 ( 8.354 13.201 -2.179) 15.773 8.487 ( -10.895 10.541 5.380) 16.086 9.216 ( 0.757 0.173 4.992) 5.052 9.343 ( 1.267 -3.154 -11.444) 11.938 9.795 ( 10.668 -0.390 -4.635) 11.638 10.533 ( -11.994 0.613 -2.212) 12.212 10.583 ( -0.685 1.247 0.986) 1.731 10.902 ( -6.123 -2.319 -4.772) 8.102 11.494 ( 4.733 5.895 4.182) 8.640 11.816 ( 3.281 -0.297 1.316) 3.547 11.864 ( -3.660 0.409 4.388) 5.729 12.501 ( -10.587 -15.677 11.742) 22.265 12.919 ( 12.149 9.899 -4.430) 16.285 13.851 ( 3.919 -2.337 -0.131) 4.565 ======================= Grid point 16 (12/275) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( -14.021 15.591 -6.630) 21.991 0.919 ( -31.018 11.775 -1.972) 33.236 1.603 ( -6.380 42.605 3.592) 43.229 2.214 ( -0.354 -2.285 -1.830) 2.949 2.515 ( 1.733 -2.928 -0.137) 3.405 3.193 ( -2.012 -7.639 0.948) 7.956 3.328 ( 2.413 1.216 1.914) 3.312 3.635 ( 5.980 -21.591 1.921) 22.486 4.328 ( -4.718 -3.695 -11.481) 12.951 4.867 ( 8.069 0.695 -0.237) 8.103 5.017 ( -0.158 -4.696 0.964) 4.796 5.499 ( -1.302 3.857 -3.912) 5.645 5.714 ( -5.403 4.865 3.499) 8.069 6.000 ( -0.835 1.106 7.488) 7.615 6.688 ( -3.816 -5.507 0.990) 6.772 6.831 ( -3.565 -4.347 -4.492) 7.196 7.129 ( -3.839 -13.646 -0.194) 14.177 7.475 ( 0.819 1.714 2.881) 3.451 7.804 ( 2.693 1.885 -1.948) 3.821 7.871 ( 2.908 7.424 -1.569) 8.126 8.254 ( -3.421 12.165 3.622) 13.146 9.219 ( -1.779 -0.964 3.581) 4.113 9.460 ( 14.667 -1.544 -12.282) 19.192 9.961 ( 9.354 -0.090 -2.424) 9.664 10.284 ( -14.873 1.674 -1.065) 15.005 10.554 ( 0.424 5.240 0.771) 5.313 10.834 ( -6.138 -4.643 -1.635) 7.868 11.489 ( -0.656 2.451 2.397) 3.490 11.822 ( -0.920 -0.126 -1.629) 1.875 11.865 ( 1.054 0.420 4.152) 4.305 12.505 ( -11.714 -13.574 10.214) 20.635 12.998 ( 9.880 8.805 -2.198) 13.416 13.939 ( 4.039 -2.015 0.801) 4.584 ======================= Grid point 17 (13/275) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( 0.000 15.158 0.000) 15.158 0.491 ( 0.000 22.451 0.000) 22.451 1.052 ( 0.000 48.366 0.000) 48.366 2.241 ( -0.000 -2.549 -0.000) 2.549 2.555 ( -0.000 -1.717 -0.000) 1.717 3.197 ( -0.000 -1.328 -0.000) 1.328 3.350 ( -0.000 -0.950 -0.000) 0.950 3.976 ( -0.000 -23.053 -0.000) 23.053 4.233 ( 0.000 1.082 0.000) 1.082 4.929 ( 0.000 2.954 0.000) 2.954 5.046 ( -0.000 -4.005 -0.000) 4.005 5.446 ( 0.000 3.931 0.000) 3.931 5.607 ( 0.000 5.209 0.000) 5.209 5.986 ( 0.000 2.297 0.000) 2.297 6.704 ( -0.000 -3.482 -0.000) 3.482 6.836 ( -0.000 -4.115 -0.000) 4.115 7.237 ( -0.000 -11.690 -0.000) 11.690 7.474 ( 0.000 0.574 0.000) 0.574 7.797 ( 0.000 2.722 0.000) 2.722 7.835 ( 0.000 1.974 0.000) 1.974 8.123 ( 0.000 11.573 0.000) 11.573 9.219 ( -0.000 -1.256 -0.000) 1.256 9.720 ( -0.000 -7.505 -0.000) 7.505 10.024 ( 0.000 4.178 0.000) 4.178 10.073 ( 0.000 2.136 0.000) 2.136 10.499 ( 0.000 4.692 0.000) 4.692 10.814 ( -0.000 -4.103 -0.000) 4.103 11.458 ( 0.000 0.890 0.000) 0.890 11.813 ( 0.000 0.021 0.000) 0.021 11.876 ( 0.000 0.284 0.000) 0.284 12.500 ( -0.000 -7.158 -0.000) 7.158 12.999 ( 0.000 7.169 0.000) 7.169 14.016 ( -0.000 -2.939 -0.000) 2.939 ======================= Grid point 20 (14/275) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 18.964 -0.000 -0.317) 18.966 1.421 ( 16.370 -0.000 -2.614) 16.577 2.245 ( -0.290 0.000 3.098) 3.111 2.254 ( -7.954 0.000 -1.845) 8.165 2.745 ( -5.344 0.000 -0.380) 5.358 3.120 ( 20.035 -0.000 -2.064) 20.141 3.121 ( -7.913 0.000 -3.824) 8.788 3.895 ( 2.798 -0.000 -8.392) 8.846 4.301 ( -5.431 0.000 13.201) 14.274 4.556 ( -11.167 0.000 -1.678) 11.292 4.612 ( -4.469 0.000 5.438) 7.039 5.645 ( 4.089 -0.000 9.465) 10.311 6.074 ( 4.823 -0.000 -17.370) 18.027 6.262 ( 8.391 -0.000 -16.139) 18.190 6.533 ( -10.905 0.000 8.708) 13.955 6.939 ( -9.981 0.000 -2.539) 10.299 7.078 ( -2.675 0.000 -0.034) 2.675 7.371 ( 3.045 -0.000 4.046) 5.064 7.778 ( -2.645 0.000 -1.300) 2.947 8.046 ( 8.867 -0.000 -0.459) 8.879 8.502 ( 12.571 -0.000 -1.463) 12.655 9.186 ( 0.156 -0.000 -0.614) 0.633 9.598 ( -10.502 0.000 9.868) 14.411 9.871 ( 10.332 -0.000 2.206) 10.565 10.306 ( 1.331 -0.000 -0.207) 1.347 10.617 ( -11.059 0.000 -12.057) 16.361 11.187 ( 18.274 -0.000 0.867) 18.294 11.193 ( -1.431 0.000 8.280) 8.403 11.634 ( -1.728 0.000 -17.480) 17.565 11.975 ( 3.618 -0.000 2.651) 4.485 12.342 ( -11.278 0.000 16.448) 19.943 13.422 ( -10.284 0.000 0.520) 10.298 13.450 ( 6.357 -0.000 -6.063) 8.784 ======================= Grid point 21 (15/275) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 14.365 -8.147 1.691) 16.601 1.643 ( 9.814 -2.244 -4.426) 10.997 2.108 ( -4.782 2.574 -3.537) 6.481 2.262 ( -1.789 -3.473 -0.493) 3.938 2.571 ( -9.151 2.777 0.552) 9.579 2.948 ( -12.491 -1.831 -2.897) 12.952 3.411 ( 11.573 2.807 2.000) 12.075 3.866 ( 0.881 8.682 -4.409) 9.777 4.280 ( 2.824 6.128 3.552) 7.625 4.453 ( -2.695 -5.366 1.178) 6.120 4.573 ( -4.121 -5.157 1.743) 6.827 5.740 ( 3.187 -1.663 7.289) 8.127 6.056 ( -0.616 1.161 -21.839) 21.878 6.243 ( 1.304 11.576 2.669) 11.951 6.498 ( -3.422 -9.691 4.524) 11.229 6.764 ( -12.578 -4.472 -3.111) 13.707 7.003 ( -7.934 -3.300 -1.126) 8.666 7.450 ( 5.848 0.920 -1.130) 6.027 7.729 ( -1.445 1.485 -1.633) 2.638 8.140 ( 8.613 7.573 0.009) 11.468 8.713 ( 8.627 -5.322 -1.243) 10.212 9.190 ( 0.441 0.311 0.876) 1.029 9.449 ( -7.407 4.264 8.594) 12.120 9.909 ( -0.593 7.685 -4.914) 9.141 10.366 ( 2.133 -7.080 -0.634) 7.422 10.496 ( -5.371 -7.107 -7.878) 11.892 11.165 ( -3.957 1.178 5.650) 6.997 11.459 ( 14.002 0.605 0.379) 14.020 11.599 ( 3.430 0.082 -12.899) 13.347 12.023 ( -0.255 0.477 7.172) 7.192 12.231 ( -8.986 -2.755 16.221) 18.747 13.215 ( -4.222 9.552 -1.896) 10.614 13.571 ( 3.170 -6.199 -3.497) 7.792 ======================= Grid point 22 (16/275) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -3.950 4.545 0.159) 6.024 1.763 ( 2.921 -4.225 -3.949) 6.479 2.125 ( 3.619 -7.023 -4.540) 9.113 2.265 ( -1.389 -6.840 -3.565) 7.838 2.401 ( -5.636 6.749 2.177) 9.059 2.819 ( -7.790 -8.568 0.611) 11.596 3.414 ( -1.021 12.872 5.425) 14.005 3.711 ( -3.903 12.410 1.076) 13.054 4.287 ( 5.110 2.191 -10.227) 11.641 4.544 ( 2.538 -4.986 2.124) 5.984 4.640 ( 4.126 -7.800 1.831) 9.012 5.796 ( 0.577 1.592 -1.268) 2.115 5.933 ( -4.964 -0.087 -10.884) 11.963 6.146 ( -2.201 8.875 9.810) 13.411 6.552 ( -4.518 -6.224 4.412) 8.866 6.662 ( -6.966 -11.428 -4.692) 14.183 6.901 ( -9.588 -5.146 -2.185) 11.099 7.519 ( 5.328 2.237 -3.379) 6.694 7.705 ( 1.181 0.812 -2.610) 2.978 8.175 ( 7.969 10.452 -0.768) 13.166 8.814 ( -2.781 -1.207 3.055) 4.304 9.199 ( 0.862 0.543 2.093) 2.328 9.348 ( 0.058 5.325 2.153) 5.744 9.775 ( -2.453 3.264 -7.306) 8.370 10.444 ( -6.497 -11.260 -2.538) 13.245 10.535 ( 4.763 -2.424 -1.395) 5.524 11.068 ( -6.132 2.463 -1.255) 6.726 11.584 ( 6.937 4.448 -2.785) 8.699 11.695 ( 7.677 -2.021 -5.877) 9.877 11.966 ( -7.288 1.616 11.399) 13.626 12.209 ( -7.448 -7.913 16.003) 19.343 13.107 ( 4.759 9.522 -3.327) 11.153 13.673 ( 3.157 -4.977 -2.239) 6.305 ======================= Grid point 23 (17/275) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -9.256 12.156 -2.989) 15.568 1.661 ( -17.391 4.187 -4.532) 18.453 2.083 ( -0.122 3.002 -0.320) 3.021 2.340 ( -0.406 -4.478 -1.303) 4.681 2.516 ( 7.459 -16.549 -1.257) 18.196 2.853 ( -0.904 -6.218 2.197) 6.656 3.187 ( -2.287 20.989 5.064) 21.712 3.540 ( -5.327 5.704 2.950) 8.343 4.317 ( 2.633 -0.431 -11.833) 12.130 4.663 ( 5.482 -5.810 -0.375) 7.997 4.809 ( 5.394 -5.474 1.813) 7.896 5.684 ( -5.279 3.624 -8.270) 10.459 5.914 ( 1.437 0.548 -3.762) 4.064 6.027 ( -6.586 4.285 14.545) 16.532 6.533 ( -6.073 -7.650 1.661) 9.908 6.729 ( -2.384 -12.320 0.410) 12.555 6.797 ( -8.892 -5.410 -4.403) 11.302 7.551 ( 3.444 3.648 -2.443) 5.580 7.739 ( 3.990 -0.546 -3.663) 5.444 8.166 ( 5.096 11.126 -0.620) 12.254 8.681 ( -8.875 6.729 5.537) 12.438 9.225 ( 1.277 0.411 4.860) 5.042 9.320 ( 2.430 2.089 -7.439) 8.100 9.793 ( 7.525 -1.040 -4.923) 9.052 10.408 ( -9.961 -7.716 -0.819) 12.626 10.622 ( 3.310 -0.613 0.674) 3.433 10.920 ( -6.552 3.689 -4.600) 8.815 11.601 ( 0.425 3.984 0.567) 4.046 11.795 ( 4.352 -1.603 -8.792) 9.940 11.876 ( -4.303 0.662 9.352) 10.316 12.221 ( -8.387 -10.347 16.597) 21.281 13.131 ( 10.375 9.159 -2.593) 14.080 13.770 ( 2.966 -4.622 -1.199) 5.621 ======================= Grid point 24 (18/275) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -19.103 13.909 -6.126) 24.412 1.244 ( -12.284 16.439 0.347) 20.524 2.113 ( 2.683 -1.370 -0.160) 3.017 2.402 ( 1.137 -4.874 -1.795) 5.317 2.511 ( -2.878 27.624 1.977) 27.844 2.984 ( 3.745 -12.081 1.305) 12.715 3.126 ( 1.611 -13.038 0.683) 13.155 3.432 ( -3.259 3.021 2.640) 5.168 4.306 ( -0.809 0.317 -7.885) 7.932 4.827 ( 6.920 -4.618 -1.122) 8.395 4.919 ( 1.288 -4.293 1.344) 4.680 5.572 ( -2.040 2.490 -4.016) 5.147 5.834 ( -4.484 5.405 -0.496) 7.040 6.003 ( 0.261 -0.450 8.069) 8.086 6.541 ( -3.467 -7.686 0.749) 8.465 6.714 ( -7.858 -7.305 -1.597) 10.847 6.834 ( -0.523 -11.268 -1.042) 11.328 7.545 ( 1.687 4.049 -0.825) 4.463 7.807 ( 4.195 -0.488 -3.272) 5.342 8.084 ( -0.830 10.666 1.409) 10.791 8.491 ( -3.712 9.604 2.558) 10.609 9.219 ( -1.315 1.310 3.154) 3.660 9.406 ( 9.698 -2.889 -7.131) 12.379 9.950 ( 9.656 -1.353 -2.745) 10.129 10.281 ( -11.498 -1.671 0.370) 11.624 10.657 ( 0.967 0.764 2.061) 2.401 10.771 ( -6.070 2.323 -4.000) 7.631 11.529 ( -4.859 1.050 1.836) 5.299 11.817 ( 0.288 -0.289 -4.102) 4.122 11.874 ( 1.356 0.412 1.454) 2.031 12.258 ( -5.196 -9.921 11.247) 15.871 13.189 ( 8.054 8.536 -1.012) 11.779 13.859 ( 2.099 -4.718 -0.325) 5.174 ======================= Grid point 25 (19/275) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 0.000 18.042 0.000) 18.042 0.953 ( 0.000 20.411 0.000) 20.411 2.054 ( 0.000 44.259 0.000) 44.259 2.174 ( -0.000 -3.547 -0.000) 3.547 2.481 ( -0.000 -5.591 -0.000) 5.591 3.097 ( -0.000 -7.488 -0.000) 7.488 3.375 ( 0.000 2.822 0.000) 2.822 3.414 ( -0.000 -27.149 -0.000) 27.149 4.265 ( 0.000 1.745 0.000) 1.745 4.937 ( -0.000 -2.508 -0.000) 2.508 4.960 ( -0.000 -3.555 -0.000) 3.555 5.529 ( 0.000 3.031 0.000) 3.031 5.730 ( 0.000 5.675 0.000) 5.675 6.020 ( 0.000 0.583 0.000) 0.583 6.592 ( -0.000 -6.829 -0.000) 6.829 6.717 ( -0.000 -6.645 -0.000) 6.645 6.955 ( -0.000 -12.949 -0.000) 12.949 7.517 ( 0.000 3.364 0.000) 3.364 7.842 ( 0.000 0.915 0.000) 0.915 7.959 ( 0.000 8.899 0.000) 8.899 8.365 ( 0.000 10.492 0.000) 10.492 9.202 ( 0.000 0.149 0.000) 0.149 9.569 ( -0.000 -6.622 -0.000) 6.622 10.056 ( -0.000 -0.825 -0.000) 0.825 10.137 ( 0.000 3.455 0.000) 3.455 10.638 ( 0.000 7.473 0.000) 7.473 10.704 ( -0.000 -5.415 -0.000) 5.415 11.476 ( 0.000 0.565 0.000) 0.565 11.814 ( 0.000 0.042 0.000) 0.042 11.884 ( 0.000 0.432 0.000) 0.432 12.326 ( -0.000 -8.646 -0.000) 8.646 13.170 ( 0.000 8.202 0.000) 8.202 13.930 ( -0.000 -4.807 -0.000) 4.807 ======================= Grid point 30 (20/275) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 6.239 -0.000 2.541) 6.737 1.726 ( 3.388 -0.000 -5.847) 6.757 2.065 ( 1.336 -0.000 -5.176) 5.346 2.175 ( -4.906 0.000 -3.935) 6.289 2.551 ( 2.136 -0.000 5.859) 6.237 2.665 ( -18.917 0.000 -3.244) 19.193 3.525 ( 0.591 -0.000 4.642) 4.679 3.922 ( 1.131 -0.000 -0.749) 1.357 4.362 ( 1.495 -0.000 -9.308) 9.427 4.442 ( -6.957 0.000 -0.307) 6.964 4.516 ( 12.174 -0.000 5.753) 13.465 5.809 ( 4.035 -0.000 5.460) 6.789 5.935 ( -7.808 0.000 -17.264) 18.948 6.340 ( -6.052 0.000 8.883) 10.748 6.403 ( 1.827 -0.000 2.679) 3.243 6.510 ( -12.407 0.000 -0.526) 12.418 6.852 ( -7.382 0.000 -6.119) 9.588 7.544 ( 5.777 -0.000 -4.095) 7.081 7.717 ( 0.150 -0.000 -3.218) 3.221 8.301 ( 6.216 -0.000 0.112) 6.217 8.780 ( 1.813 -0.000 1.990) 2.691 9.206 ( 0.623 -0.000 3.154) 3.215 9.447 ( 2.538 -0.000 4.732) 5.369 9.798 ( -12.325 0.000 -10.087) 15.926 10.309 ( -1.030 0.000 -0.722) 1.258 10.498 ( 5.956 -0.000 -1.957) 6.269 11.098 ( -5.498 0.000 0.236) 5.504 11.641 ( 8.302 -0.000 -5.677) 10.058 11.659 ( 7.209 -0.000 -10.134) 12.437 11.993 ( -8.251 0.000 14.817) 16.960 12.115 ( -8.400 0.000 18.131) 19.983 13.229 ( 2.165 -0.000 -2.520) 3.322 13.601 ( 4.622 -0.000 -2.968) 5.493 ======================= Grid point 31 (21/275) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -5.359 5.733 -0.695) 7.878 1.718 ( -2.653 1.172 -5.171) 5.929 2.104 ( -1.699 -1.628 -1.583) 2.836 2.199 ( 6.819 -9.021 -2.834) 11.658 2.308 ( -15.690 2.691 -2.011) 16.046 2.680 ( 3.208 -6.781 4.167) 8.581 3.500 ( -1.715 3.675 5.011) 6.447 3.845 ( 0.024 19.392 2.767) 19.588 4.316 ( 0.098 0.314 -9.089) 9.095 4.465 ( 0.339 -11.843 -3.777) 12.435 4.721 ( 9.067 -2.076 2.089) 9.533 5.742 ( -8.716 1.482 -9.984) 13.336 5.899 ( 4.340 -0.759 2.528) 5.080 6.145 ( -11.380 4.857 3.651) 12.901 6.409 ( -4.487 -2.591 3.200) 6.089 6.479 ( -3.420 -8.804 8.697) 12.839 6.737 ( -4.577 -1.344 -10.105) 11.174 7.610 ( 4.503 1.576 -4.017) 6.236 7.727 ( 2.349 -0.470 -4.009) 4.670 8.350 ( 3.664 5.143 -0.845) 6.371 8.756 ( -5.305 0.811 5.234) 7.497 9.228 ( 0.985 0.097 5.573) 5.660 9.460 ( 0.835 10.207 -5.223) 11.497 9.688 ( 1.711 -9.081 -5.007) 10.510 10.289 ( -3.729 -2.444 -0.357) 4.472 10.596 ( 4.657 -0.990 0.725) 4.816 10.996 ( -5.087 2.280 -3.702) 6.692 11.659 ( -3.520 1.284 -6.755) 7.724 11.758 ( 6.384 -1.275 -12.384) 13.991 11.891 ( -5.708 0.581 15.747) 16.760 12.067 ( -6.592 -3.749 19.541) 20.961 13.286 ( 7.932 4.465 -2.141) 9.351 13.679 ( 3.465 -2.957 -1.709) 4.865 ======================= Grid point 32 (22/275) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -11.452 14.558 -3.784) 18.905 1.558 ( -5.712 11.695 -0.573) 13.028 2.061 ( -2.431 -2.607 -0.721) 3.637 2.214 ( -3.159 -10.407 -1.495) 10.978 2.454 ( 6.032 -16.083 -0.540) 17.186 2.812 ( 2.940 -6.534 2.151) 7.481 3.427 ( 1.266 14.850 4.148) 15.470 3.558 ( -5.244 20.025 0.522) 20.707 4.315 ( 1.229 0.184 -6.501) 6.619 4.632 ( 3.020 -14.059 -1.942) 14.510 4.851 ( 3.977 -1.891 0.708) 4.460 5.596 ( -5.133 -0.014 -4.469) 6.806 5.929 ( -4.287 3.384 -3.667) 6.579 5.998 ( 0.299 -0.030 7.966) 7.972 6.393 ( -3.501 -4.988 2.251) 6.497 6.516 ( -5.582 -8.674 5.879) 11.873 6.696 ( -0.369 -3.278 -7.470) 8.166 7.628 ( 2.125 3.345 -2.016) 4.446 7.780 ( 3.193 -1.908 -3.119) 4.854 8.303 ( -0.065 8.854 0.133) 8.855 8.649 ( -4.345 4.729 3.300) 7.220 9.261 ( 0.468 1.312 6.392) 6.542 9.370 ( 1.611 0.866 -8.078) 8.283 9.879 ( 9.676 -5.130 -2.712) 11.282 10.233 ( -6.063 -2.205 0.421) 6.466 10.649 ( 0.592 0.653 2.286) 2.450 10.874 ( -3.433 4.564 -4.073) 7.014 11.527 ( -8.301 -1.141 -0.007) 8.379 11.810 ( 2.290 -0.352 -7.855) 8.190 11.883 ( 0.687 0.478 3.652) 3.746 12.087 ( -3.036 -5.657 13.575) 15.016 13.348 ( 6.311 5.894 -0.865) 8.679 13.759 ( 1.919 -4.154 -0.744) 4.636 ======================= Grid point 33 (23/275) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 0.000 19.499 0.000) 19.499 1.353 ( 0.000 16.470 0.000) 16.470 2.091 ( -0.000 -4.348 -0.000) 4.348 2.307 ( -0.000 -10.451 -0.000) 10.451 2.668 ( -0.000 -8.388 -0.000) 8.388 2.921 ( -0.000 -8.003 -0.000) 8.003 3.144 ( 0.000 24.516 0.000) 24.516 3.440 ( 0.000 2.731 0.000) 2.731 4.302 ( 0.000 1.638 0.000) 1.638 4.801 ( -0.000 -10.821 -0.000) 10.821 4.901 ( -0.000 -1.934 -0.000) 1.934 5.556 ( -0.000 -0.417 -0.000) 0.417 5.836 ( 0.000 3.961 0.000) 3.961 6.025 ( 0.000 0.403 0.000) 0.403 6.430 ( -0.000 -7.386 -0.000) 7.386 6.556 ( -0.000 -7.894 -0.000) 7.894 6.741 ( -0.000 -6.569 -0.000) 6.569 7.602 ( 0.000 4.023 0.000) 4.023 7.829 ( -0.000 -1.938 -0.000) 1.938 8.184 ( 0.000 11.105 0.000) 11.105 8.556 ( 0.000 6.995 0.000) 6.995 9.237 ( 0.000 2.992 0.000) 2.992 9.434 ( -0.000 -5.878 -0.000) 5.878 10.012 ( -0.000 -2.697 -0.000) 2.697 10.182 ( -0.000 -0.388 -0.000) 0.388 10.633 ( 0.000 0.003 0.000) 0.003 10.787 ( 0.000 5.872 0.000) 5.872 11.470 ( -0.000 -1.361 -0.000) 1.361 11.815 ( 0.000 0.049 0.000) 0.049 11.893 ( 0.000 0.375 0.000) 0.375 12.150 ( -0.000 -7.148 -0.000) 7.148 13.334 ( 0.000 6.808 0.000) 6.808 13.823 ( -0.000 -4.880 -0.000) 4.880 ======================= Grid point 40 (24/275) ======================= q-point: ( 0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -4.310 0.000 -0.730) 4.371 1.683 ( -1.634 0.000 -3.656) 4.005 2.024 ( -13.983 0.000 -1.302) 14.044 2.056 ( -1.326 0.000 -0.820) 1.559 2.262 ( 5.418 -0.000 -0.954) 5.502 2.733 ( 4.062 -0.000 2.772) 4.918 3.496 ( -1.501 0.000 2.691) 3.082 4.089 ( 7.357 -0.000 6.101) 9.557 4.218 ( -4.798 0.000 -1.339) 4.981 4.372 ( -0.251 0.000 -11.093) 11.096 4.832 ( 4.921 -0.000 0.352) 4.934 5.592 ( -6.592 0.000 -4.891) 8.208 5.977 ( -9.450 0.000 0.146) 9.451 5.988 ( 5.301 -0.000 0.889) 5.375 6.353 ( -6.223 0.000 9.497) 11.354 6.404 ( -0.547 0.000 2.129) 2.199 6.662 ( -1.121 0.000 -7.652) 7.733 7.672 ( 2.816 -0.000 -2.561) 3.806 7.749 ( 1.985 -0.000 -3.029) 3.621 8.411 ( 1.080 -0.000 -1.200) 1.614 8.695 ( -4.128 0.000 4.120) 5.832 9.263 ( 1.189 -0.000 8.355) 8.439 9.412 ( -6.191 0.000 -9.708) 11.514 9.797 ( 14.240 -0.000 -1.985) 14.378 10.207 ( -6.043 0.000 0.675) 6.080 10.665 ( 3.533 -0.000 2.144) 4.133 10.927 ( -3.651 0.000 -4.110) 5.497 11.506 ( -9.830 0.000 -1.372) 9.926 11.806 ( 3.216 -0.000 -9.428) 9.961 11.890 ( -0.097 0.000 6.136) 6.137 12.025 ( -2.357 0.000 13.881) 14.080 13.418 ( 5.465 -0.000 -0.981) 5.553 13.707 ( 2.146 -0.000 -0.780) 2.284 ======================= Grid point 42 (25/275) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 0.000 15.611 0.000) 15.611 1.627 ( 0.000 7.501 0.000) 7.501 1.964 ( -0.000 -8.007 -0.000) 8.007 2.084 ( -0.000 -7.195 -0.000) 7.195 2.359 ( -0.000 -9.705 -0.000) 9.705 2.790 ( -0.000 -3.457 -0.000) 3.457 3.481 ( 0.000 1.028 0.000) 1.028 3.856 ( 0.000 32.365 0.000) 32.365 4.329 ( 0.000 0.683 0.000) 0.683 4.449 ( -0.000 -22.284 -0.000) 22.284 4.875 ( -0.000 -0.576 -0.000) 0.576 5.535 ( -0.000 -0.883 -0.000) 0.883 5.891 ( 0.000 1.190 0.000) 1.190 6.038 ( 0.000 0.540 0.000) 0.540 6.317 ( -0.000 -2.631 -0.000) 2.631 6.423 ( -0.000 -3.662 -0.000) 3.662 6.654 ( -0.000 -1.914 -0.000) 1.914 7.676 ( 0.000 2.562 0.000) 2.562 7.777 ( -0.000 -2.268 -0.000) 2.268 8.383 ( 0.000 5.943 0.000) 5.943 8.654 ( 0.000 2.085 0.000) 2.085 9.305 ( 0.000 2.346 0.000) 2.346 9.332 ( -0.000 -2.971 -0.000) 2.971 9.963 ( -0.000 -1.408 -0.000) 1.408 10.133 ( -0.000 -2.420 -0.000) 2.420 10.686 ( 0.000 2.851 0.000) 2.851 10.875 ( 0.000 2.134 0.000) 2.134 11.426 ( -0.000 -1.893 -0.000) 1.893 11.816 ( 0.000 0.024 0.000) 0.024 11.898 ( 0.000 0.147 0.000) 0.147 12.042 ( -0.000 -2.598 -0.000) 2.598 13.446 ( 0.000 3.091 0.000) 3.091 13.738 ( -0.000 -2.497 -0.000) 2.497 ======================= Grid point 83 (26/275) ======================= q-point: ( 0.00 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( -5.223 0.000 20.841) 21.486 0.478 ( 5.484 -0.000 23.473) 24.105 0.956 ( -8.521 0.000 46.500) 47.274 2.710 ( -13.716 0.000 9.725) 16.814 2.757 ( -2.505 0.000 17.316) 17.496 3.177 ( -2.705 0.000 -2.123) 3.439 3.454 ( 13.357 -0.000 -3.914) 13.919 3.926 ( -2.179 0.000 -1.842) 2.853 4.373 ( 32.158 -0.000 1.139) 32.178 4.856 ( 0.620 -0.000 -0.808) 1.018 5.090 ( 0.217 -0.000 -0.925) 0.950 5.331 ( 4.955 -0.000 -5.292) 7.250 5.792 ( -2.751 0.000 -11.213) 11.546 5.846 ( -24.079 0.000 6.676) 24.987 6.965 ( -1.350 0.000 6.708) 6.842 7.170 ( 5.279 -0.000 -7.868) 9.475 7.200 ( -1.364 0.000 0.792) 1.577 7.477 ( -10.662 0.000 -4.395) 11.532 7.630 ( -8.367 0.000 2.774) 8.815 7.656 ( 0.139 -0.000 -11.159) 11.160 8.147 ( 0.437 -0.000 10.970) 10.978 9.126 ( 22.614 -0.000 -4.391) 23.036 9.260 ( 41.081 -0.000 6.139) 41.538 9.905 ( 2.157 -0.000 1.228) 2.482 10.175 ( -31.612 0.000 4.272) 31.899 10.234 ( 8.012 -0.000 -5.299) 9.606 10.513 ( -6.059 0.000 4.547) 7.575 10.844 ( 0.981 -0.000 -1.691) 1.955 11.443 ( -2.551 0.000 -0.406) 2.583 11.740 ( 1.025 -0.000 -6.779) 6.856 12.861 ( 0.353 -0.000 -4.270) 4.285 13.890 ( -1.036 0.000 9.667) 9.722 14.350 ( -25.036 0.000 1.100) 25.060 ======================= Grid point 84 (27/275) ======================= q-point: ( 0.11 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 6.318 -25.533 10.834) 28.447 0.880 ( 16.452 -7.470 21.937) 28.421 1.223 ( 24.483 -6.869 31.261) 40.297 2.517 ( -7.165 4.293 18.176) 20.003 2.735 ( -6.058 0.413 16.555) 17.633 3.154 ( 0.172 -1.363 -3.352) 3.622 3.409 ( -6.279 7.053 -6.706) 11.582 3.840 ( -4.395 6.480 -4.644) 9.103 4.761 ( 10.210 8.433 -2.523) 13.480 4.829 ( -0.515 2.746 1.125) 3.012 5.048 ( -1.451 1.331 -3.111) 3.682 5.413 ( 5.314 -2.933 -3.677) 7.097 5.587 ( -5.932 -2.128 5.661) 8.471 5.740 ( -1.388 -2.021 -13.449) 13.671 6.907 ( -2.398 10.338 6.849) 12.630 7.016 ( 1.645 5.187 4.349) 6.966 7.229 ( 7.964 3.960 -11.313) 14.391 7.379 ( -11.813 -14.902 1.986) 19.120 7.628 ( 2.459 1.358 -5.460) 6.140 7.837 ( 1.397 -12.476 3.363) 12.997 8.174 ( 3.854 3.602 10.979) 12.180 9.124 ( -0.486 0.442 -6.787) 6.818 9.813 ( -8.984 5.484 12.625) 16.437 9.994 ( -3.085 -4.160 4.505) 6.864 10.237 ( 27.930 1.770 -14.647) 31.587 10.455 ( 5.245 -2.171 -4.552) 7.277 10.530 ( 20.267 -20.611 -27.192) 39.686 10.879 ( 0.732 -3.982 -2.500) 4.758 11.426 ( 1.354 0.123 -2.327) 2.695 11.751 ( 2.047 -0.776 -6.693) 7.042 12.823 ( -0.770 3.853 -4.517) 5.987 13.638 ( -21.202 19.479 28.730) 40.674 13.978 ( -11.780 -7.515 10.478) 17.466 ======================= Grid point 85 (28/275) ======================= q-point: ( 0.22 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 11.438 -22.186 5.803) 25.627 1.238 ( 6.439 -18.443 21.029) 28.702 1.877 ( 35.717 -3.172 15.560) 39.088 2.447 ( -2.778 3.452 15.185) 15.819 2.651 ( -7.992 0.979 14.909) 16.945 3.153 ( -6.720 5.384 -6.512) 10.796 3.205 ( -3.218 -2.414 -3.111) 5.085 3.635 ( -4.095 14.520 -4.371) 15.707 4.682 ( -10.814 -0.655 0.958) 10.876 4.763 ( 0.248 7.694 6.982) 10.393 4.983 ( -4.610 3.108 -1.490) 5.756 5.573 ( 10.711 -1.405 -5.943) 12.330 5.618 ( 3.171 -4.475 -5.024) 7.438 5.727 ( 0.844 -3.954 -11.627) 12.310 6.808 ( -0.381 7.136 3.080) 7.781 7.044 ( 1.000 -1.210 5.091) 5.328 7.266 ( 7.252 6.756 -11.392) 15.100 7.361 ( -5.289 -6.108 4.602) 9.299 7.651 ( 0.027 -3.365 -4.476) 5.599 7.920 ( -2.075 -2.126 8.128) 8.654 8.294 ( 8.383 -3.386 5.897) 10.794 9.104 ( 0.608 0.288 -5.977) 6.015 9.704 ( -1.912 6.090 12.454) 13.995 9.932 ( -6.367 2.826 5.027) 8.590 10.435 ( -0.413 -8.139 2.282) 8.463 10.586 ( 16.522 1.370 -2.252) 16.731 10.867 ( -0.739 -17.196 -33.828) 37.955 10.945 ( 9.728 1.307 -6.176) 11.596 11.465 ( 3.090 -0.980 -6.091) 6.900 11.783 ( 2.925 -0.923 -6.677) 7.348 12.733 ( -0.973 7.854 -4.865) 9.290 13.294 ( -11.996 9.838 28.397) 32.358 13.927 ( -7.147 -3.876 9.215) 12.289 ======================= Grid point 86 (29/275) ======================= q-point: ( 0.33 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 10.355 -10.184 11.357) 18.437 1.637 ( 6.201 -27.298 9.168) 29.456 2.248 ( 1.573 7.469 13.590) 15.587 2.525 ( 0.660 -0.978 7.633) 7.723 2.617 ( 10.858 -0.855 12.477) 16.562 2.923 ( -5.957 4.069 -4.844) 8.690 3.185 ( -4.769 2.461 -0.298) 5.375 3.471 ( 4.231 8.663 -3.761) 10.349 4.476 ( -13.261 3.015 3.080) 13.944 4.723 ( -1.268 1.164 0.878) 1.932 4.840 ( -7.867 3.421 3.253) 9.175 5.636 ( 2.269 -0.370 -16.124) 16.287 5.698 ( 4.176 -0.641 -9.230) 10.151 5.898 ( 11.166 -8.732 3.517) 14.605 6.737 ( -1.263 4.964 0.343) 5.133 7.077 ( -2.661 -3.836 6.865) 8.302 7.263 ( 4.051 4.640 -11.276) 12.848 7.365 ( 1.566 1.874 3.171) 4.003 7.664 ( -3.384 -5.354 -1.513) 6.512 7.895 ( -3.651 1.466 10.563) 11.272 8.518 ( 10.861 -6.277 -0.030) 12.545 9.103 ( 1.498 0.379 -5.428) 5.644 9.638 ( -1.681 9.477 8.737) 12.999 9.813 ( -5.856 1.063 7.439) 9.526 10.480 ( -3.324 -6.196 1.093) 7.115 10.796 ( 2.640 -3.052 -11.979) 12.640 10.932 ( 8.156 -8.801 -14.494) 18.816 11.083 ( 10.122 0.514 -3.433) 10.700 11.484 ( -0.484 -2.133 -6.414) 6.777 11.826 ( 3.742 -0.461 -7.345) 8.257 12.597 ( -2.513 9.867 -4.527) 11.143 13.151 ( -5.504 4.854 23.710) 24.820 13.874 ( -6.351 -2.432 9.286) 11.510 ======================= Grid point 87 (30/275) ======================= q-point: ( 0.44 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 7.240 -7.775 11.187) 15.428 1.900 ( -6.104 -3.070 9.214) 11.471 2.242 ( 2.501 -10.348 5.214) 11.854 2.491 ( -3.849 1.240 12.122) 12.779 2.553 ( -8.883 7.176 -0.492) 11.430 3.057 ( 0.876 1.676 -0.150) 1.897 3.116 ( 12.553 0.280 5.049) 13.533 3.522 ( 4.960 -0.116 -0.206) 4.965 4.222 ( -12.687 3.778 -1.264) 13.297 4.685 ( -2.154 0.596 -1.202) 2.538 4.719 ( -3.425 2.555 5.298) 6.806 5.600 ( 0.393 1.907 -17.788) 17.894 5.754 ( 2.112 -4.019 -6.889) 8.250 6.197 ( 11.333 -8.246 9.500) 16.932 6.661 ( -2.049 3.757 -2.006) 4.726 7.070 ( -6.365 -5.178 5.866) 10.086 7.246 ( 1.768 1.812 -9.315) 9.653 7.385 ( 5.407 6.187 0.533) 8.234 7.651 ( -4.289 -4.426 0.625) 6.195 7.850 ( -4.262 -0.286 11.025) 11.823 8.737 ( 8.186 -4.566 -4.675) 10.474 9.120 ( 3.161 0.206 -4.780) 5.734 9.481 ( -5.859 9.770 7.507) 13.643 9.753 ( -5.779 -1.085 4.995) 7.715 10.478 ( -2.412 -2.683 -0.022) 3.608 10.789 ( -2.855 -7.952 -16.520) 18.555 11.076 ( 8.629 4.811 -10.754) 14.603 11.233 ( 2.226 -2.255 5.060) 5.970 11.526 ( 6.424 -4.418 -2.489) 8.184 11.873 ( 4.964 0.809 -9.272) 10.548 12.432 ( -2.312 10.149 -3.871) 11.106 13.120 ( -2.980 0.172 21.482) 21.688 13.835 ( -4.029 -1.721 9.422) 10.391 ======================= Grid point 88 (31/275) ======================= q-point: (-0.44 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -13.892 10.297 8.204) 19.139 1.926 ( 4.909 -2.646 12.012) 13.243 2.132 ( -14.909 8.374 0.236) 17.101 2.489 ( -1.235 -0.872 12.465) 12.556 2.653 ( 9.197 -14.360 3.775) 17.466 3.086 ( 3.539 -2.828 3.122) 5.502 3.168 ( -10.235 3.684 4.898) 11.930 3.598 ( 2.860 -3.580 2.764) 5.351 4.050 ( -2.492 1.315 -8.471) 8.927 4.673 ( -0.874 1.844 1.562) 2.570 4.695 ( 5.196 0.931 0.830) 5.343 5.518 ( -1.403 3.169 -15.764) 16.140 5.814 ( 0.419 -6.398 -5.518) 8.459 6.432 ( 0.545 -3.619 18.268) 18.631 6.619 ( 4.202 -1.234 -7.023) 8.276 7.017 ( -8.704 -5.971 1.778) 10.704 7.234 ( 0.568 0.276 -5.810) 5.844 7.401 ( 6.293 8.524 -0.629) 10.614 7.638 ( -1.972 -3.104 0.057) 3.678 7.829 ( -4.671 -3.662 11.230) 12.702 8.792 ( -1.237 3.663 -6.219) 7.323 9.165 ( 1.045 0.501 -0.928) 1.485 9.364 ( 1.357 1.972 2.605) 3.538 9.647 ( -9.571 -1.618 0.234) 9.709 10.470 ( 0.718 1.960 -0.369) 2.120 10.797 ( -1.785 -7.351 -12.937) 14.986 11.028 ( -6.722 2.249 -8.576) 11.126 11.254 ( 4.522 4.873 2.035) 6.953 11.705 ( 4.676 -4.858 1.339) 6.874 11.914 ( 5.126 3.350 -9.054) 10.931 12.337 ( 6.223 7.510 -4.331) 10.672 13.157 ( -3.138 -5.352 22.011) 22.868 13.840 ( -0.301 -0.924 9.677) 9.725 ======================= Grid point 89 (32/275) ======================= q-point: (-0.33 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -15.114 13.176 8.792) 21.894 1.684 ( -16.284 18.226 6.643) 25.328 2.113 ( -1.034 -8.362 9.441) 12.654 2.496 ( -7.595 1.258 12.682) 14.835 2.686 ( -14.754 6.669 11.770) 20.018 3.081 ( 5.873 -9.176 1.806) 11.043 3.221 ( 4.999 -6.080 0.800) 7.912 3.689 ( -1.665 -8.840 4.378) 10.004 4.042 ( 4.685 -0.528 -12.895) 13.729 4.656 ( 2.489 2.688 -1.440) 3.936 4.823 ( 9.730 0.677 0.838) 9.790 5.413 ( -1.855 3.777 -12.903) 13.572 5.869 ( -1.619 -7.668 -4.602) 9.089 6.379 ( -9.493 -0.119 10.831) 14.403 6.781 ( 6.431 -5.890 3.730) 9.484 6.936 ( -8.260 -5.033 -1.053) 9.730 7.220 ( -1.318 -0.447 -2.397) 2.772 7.408 ( 7.730 10.231 -1.789) 12.948 7.661 ( 0.963 -3.038 -2.931) 4.330 7.835 ( -4.898 -6.011 12.204) 14.459 8.612 ( -8.362 10.765 -1.336) 13.697 9.127 ( -2.241 0.331 -3.000) 3.759 9.430 ( -5.439 -5.185 -1.728) 7.710 9.565 ( 5.795 -0.039 -2.922) 6.490 10.432 ( 0.047 7.292 -1.536) 7.452 10.793 ( -8.414 -7.102 -7.082) 13.091 10.848 ( -4.964 1.590 -6.152) 8.063 11.284 ( 6.658 7.128 -4.493) 10.739 11.741 ( -3.422 -2.285 -5.782) 7.097 11.885 ( -0.319 4.810 -4.633) 6.686 12.471 ( 15.844 2.773 -3.095) 16.380 13.257 ( -2.738 -10.775 25.397) 27.724 13.893 ( 2.958 0.276 10.423) 10.838 ======================= Grid point 90 (33/275) ======================= q-point: (-0.22 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -14.123 14.952 11.760) 23.692 1.221 ( -21.101 15.119 8.752) 27.394 1.882 ( -33.950 10.741 18.101) 39.945 2.353 ( 1.185 -3.526 12.817) 13.346 2.659 ( 1.327 -0.976 15.603) 15.690 3.269 ( 3.336 -7.356 -2.577) 8.478 3.313 ( 1.442 0.388 1.247) 1.946 3.794 ( -0.942 -14.140 2.526) 14.395 4.108 ( 5.609 -1.099 -13.467) 14.630 4.700 ( 7.363 3.203 -1.828) 8.235 4.962 ( 7.958 0.942 -0.752) 8.048 5.324 ( -0.058 3.518 -9.953) 10.556 5.889 ( -4.035 -6.666 -4.778) 9.140 6.241 ( -13.625 -4.788 7.979) 16.500 6.864 ( -3.585 -3.151 2.676) 5.472 6.928 ( 0.441 -5.550 5.957) 8.154 7.188 ( -2.813 -1.265 -1.199) 3.309 7.424 ( 9.926 12.361 -2.905) 16.117 7.701 ( 1.264 -2.367 -6.331) 6.876 7.873 ( -3.448 -7.653 13.744) 16.104 8.341 ( -8.925 11.781 2.114) 14.930 9.080 ( -0.982 1.676 -9.396) 9.595 9.333 ( -6.895 -1.695 -1.133) 7.190 9.736 ( 11.497 -0.866 -3.561) 12.067 10.293 ( -4.197 9.424 -3.758) 10.980 10.667 ( -8.854 -3.448 1.284) 9.588 10.819 ( -1.135 -2.047 -8.340) 8.663 11.253 ( 2.115 10.059 -15.632) 18.709 11.636 ( -8.324 -0.693 -7.855) 11.466 11.811 ( -1.207 3.407 -4.797) 6.006 12.688 ( 12.164 -0.069 -2.692) 12.458 13.460 ( 1.235 -16.578 30.430) 34.675 13.984 ( 5.837 1.285 13.081) 14.382 ======================= Grid point 91 (34/275) ======================= q-point: (-0.11 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -10.647 16.884 15.597) 25.331 0.742 ( -27.260 5.321 12.640) 30.515 1.251 ( -30.060 14.202 33.241) 47.013 2.545 ( 8.220 -10.178 19.713) 23.660 2.731 ( 0.737 -0.373 17.222) 17.241 3.252 ( -4.224 1.425 -1.163) 4.607 3.343 ( -1.040 -1.884 -4.449) 4.942 3.927 ( 1.224 -6.385 -2.002) 6.802 4.153 ( 3.478 0.186 -6.553) 7.422 4.797 ( 8.057 2.654 -1.559) 8.625 5.050 ( 4.203 0.046 -1.165) 4.362 5.293 ( 3.097 2.316 -7.089) 8.075 5.857 ( -4.632 -3.682 -7.025) 9.185 6.093 ( -16.485 -9.415 3.905) 19.382 6.916 ( 1.273 -8.547 9.774) 13.046 6.984 ( -2.757 -7.424 8.773) 11.819 7.163 ( -1.128 -2.043 -4.298) 4.891 7.443 ( 12.204 15.781 -1.867) 20.036 7.700 ( -1.006 -0.553 -8.858) 8.932 7.960 ( 0.642 -2.672 8.864) 9.280 8.117 ( -7.870 3.873 3.065) 9.291 8.965 ( 1.807 17.847 -8.532) 19.864 9.253 ( -3.365 1.082 -2.309) 4.222 9.874 ( 6.422 3.280 -1.622) 7.392 10.161 ( -0.208 1.503 -4.757) 4.993 10.578 ( -8.320 -2.986 2.237) 9.118 10.762 ( -9.731 -0.157 -15.946) 18.681 10.957 ( -11.714 16.168 -17.529) 26.569 11.506 ( -5.858 -0.409 -0.240) 5.877 11.758 ( -0.191 1.489 -6.201) 6.381 12.825 ( 4.841 -1.410 -3.870) 6.356 13.772 ( 2.037 -15.908 18.909) 24.795 14.197 ( 13.904 -8.566 19.942) 25.776 ======================= Grid point 93 (35/275) ======================= q-point: ( 0.11 0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 13.255 -0.000 10.747) 17.064 1.088 ( 10.381 -0.000 24.075) 26.218 1.855 ( 40.443 -0.000 15.870) 43.446 2.495 ( -3.827 0.000 17.320) 17.738 2.656 ( -9.171 0.000 14.491) 17.149 3.147 ( 0.843 -0.000 -3.102) 3.214 3.250 ( -13.478 0.000 -9.039) 16.229 3.805 ( -3.552 0.000 -4.853) 6.013 4.657 ( -8.386 0.000 0.380) 8.395 4.926 ( -9.661 0.000 -0.474) 9.673 4.975 ( -4.501 0.000 8.540) 9.654 5.524 ( 9.470 -0.000 -1.251) 9.552 5.588 ( 9.068 -0.000 -11.455) 14.610 5.693 ( 1.460 -0.000 -17.302) 17.363 6.919 ( -5.307 0.000 7.595) 9.266 7.110 ( -3.257 0.000 -1.143) 3.451 7.129 ( -0.300 0.000 8.141) 8.146 7.332 ( 4.708 -0.000 -10.663) 11.656 7.674 ( 3.443 -0.000 -10.760) 11.297 7.861 ( 5.418 -0.000 10.845) 12.124 8.281 ( 4.209 -0.000 10.075) 10.919 9.107 ( 0.507 -0.000 -6.025) 6.046 9.804 ( -1.646 0.000 13.021) 13.124 9.961 ( -1.200 0.000 5.217) 5.353 10.332 ( -3.908 0.000 4.029) 5.613 10.601 ( 3.892 -0.000 -31.253) 31.494 10.608 ( 15.217 -0.000 -2.834) 15.479 10.972 ( 12.813 -0.000 -11.810) 17.426 11.453 ( 1.857 -0.000 -4.006) 4.415 11.773 ( 3.567 -0.000 -7.901) 8.669 12.804 ( -3.165 0.000 -3.420) 4.660 13.497 ( -14.485 0.000 24.512) 28.472 13.825 ( -6.643 0.000 11.195) 13.018 ======================= Grid point 94 (36/275) ======================= q-point: ( 0.22 0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 15.048 -18.455 5.569) 24.455 1.339 ( 10.511 -3.879 17.807) 21.039 2.377 ( 5.054 3.778 13.985) 15.343 2.523 ( -4.946 0.434 10.986) 12.056 2.603 ( 19.246 -0.684 13.428) 23.477 2.991 ( -12.111 1.885 -7.724) 14.487 3.148 ( -1.961 -2.171 -2.313) 3.729 3.704 ( -0.828 7.746 -5.203) 9.368 4.530 ( -8.177 1.425 2.160) 8.577 4.739 ( -9.588 0.669 0.339) 9.618 4.879 ( -9.402 0.380 8.270) 12.528 5.617 ( 3.690 -1.144 -7.873) 8.770 5.686 ( 2.457 -1.405 -17.688) 17.913 5.795 ( 16.675 -0.240 -6.366) 17.851 6.821 ( -6.188 2.507 6.921) 9.617 7.026 ( -4.214 0.187 0.213) 4.224 7.205 ( -1.621 -6.633 3.215) 7.547 7.355 ( 0.573 -1.526 -6.000) 6.217 7.677 ( 2.531 3.414 -7.254) 8.407 7.969 ( 4.516 3.286 9.711) 11.202 8.408 ( 7.653 -3.314 5.612) 10.052 9.110 ( 1.764 0.186 -4.984) 5.290 9.818 ( 2.969 6.153 8.803) 11.143 9.890 ( -6.809 4.501 7.807) 11.295 10.332 ( -1.635 -5.866 1.020) 6.174 10.541 ( -7.490 -11.460 -22.349) 26.209 10.884 ( 19.219 0.246 -0.440) 19.226 11.127 ( 10.890 1.416 -11.129) 15.635 11.442 ( -2.686 -1.280 -3.020) 4.239 11.822 ( 5.100 -0.058 -8.730) 10.111 12.707 ( -6.867 1.624 0.526) 7.076 13.360 ( -2.693 10.765 17.106) 20.390 13.768 ( -8.823 -6.392 11.266) 15.672 ======================= Grid point 95 (37/275) ======================= q-point: ( 0.33 0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 13.585 -19.906 2.645) 24.245 1.591 ( 8.363 -7.240 14.028) 17.865 2.256 ( -9.817 5.965 9.593) 14.966 2.462 ( -6.357 -2.641 10.380) 12.455 2.698 ( -8.952 4.872 1.076) 10.248 3.051 ( 2.963 -0.085 -1.665) 3.400 3.157 ( 12.968 -0.293 4.873) 13.856 3.635 ( 5.135 8.393 -3.327) 10.386 4.332 ( -11.057 6.593 1.347) 12.944 4.647 ( -4.695 -4.239 -0.131) 6.327 4.747 ( -7.772 0.341 6.430) 10.093 5.627 ( 1.789 0.996 -17.000) 17.123 5.706 ( 2.623 -1.642 -11.753) 12.153 6.065 ( 14.722 -3.156 2.283) 15.229 6.717 ( -5.776 1.775 4.474) 7.518 6.949 ( -8.665 -4.907 0.391) 9.966 7.234 ( -1.762 -3.508 -0.312) 3.938 7.360 ( -2.591 -4.755 -1.954) 5.757 7.653 ( 1.461 3.721 -4.630) 6.117 7.985 ( 3.768 9.496 9.179) 13.734 8.613 ( 8.994 -6.332 -0.290) 11.003 9.133 ( 3.112 0.651 -3.585) 4.792 9.694 ( -8.656 8.848 8.807) 15.191 9.804 ( -1.348 5.978 2.823) 6.748 10.376 ( -0.440 -6.113 -1.301) 6.266 10.526 ( -5.307 -14.378 -15.598) 21.868 11.147 ( 10.317 2.804 -3.698) 11.313 11.244 ( 9.317 1.515 -6.501) 11.461 11.423 ( 0.332 -4.907 1.190) 5.061 11.893 ( 7.377 0.852 -9.349) 11.940 12.568 ( -7.131 2.885 1.842) 7.910 13.254 ( -1.587 11.143 16.690) 20.131 13.743 ( -6.335 -6.884 9.823) 13.565 ======================= Grid point 96 (38/275) ======================= q-point: (-0.56 0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 4.290 -5.464 7.616) 10.308 1.841 ( -2.275 -1.254 10.673) 10.985 2.142 ( -0.206 -9.407 1.680) 9.558 2.412 ( -6.679 -3.593 4.043) 8.595 2.514 ( -5.399 5.471 7.814) 10.960 3.006 ( -4.420 -4.470 0.846) 6.343 3.343 ( 5.947 8.927 5.790) 12.190 3.634 ( 3.110 6.324 1.358) 7.177 4.106 ( -5.905 4.497 -5.467) 9.218 4.662 ( -1.108 -2.455 6.085) 6.654 4.680 ( -0.700 -2.697 -0.977) 2.953 5.573 ( -0.490 2.132 -17.224) 17.363 5.735 ( 2.215 -1.650 -9.179) 9.585 6.329 ( 9.497 -4.408 11.085) 15.248 6.620 ( -4.668 0.807 -1.124) 4.869 6.859 ( -10.825 -7.939 0.330) 13.429 7.225 ( -3.815 -3.571 -0.879) 5.299 7.370 ( -2.126 -5.458 -1.077) 5.956 7.629 ( 1.202 2.194 -3.318) 4.155 7.960 ( 4.941 11.775 7.443) 14.781 8.785 ( 5.063 -3.571 -4.609) 7.722 9.179 ( 4.007 0.849 -1.205) 4.269 9.476 ( -9.221 7.249 7.160) 13.742 9.684 ( -5.068 4.913 -1.278) 7.174 10.454 ( 3.720 -3.347 -1.167) 5.138 10.567 ( -4.025 -12.757 -10.694) 17.126 11.095 ( -6.191 3.828 -6.484) 9.748 11.337 ( 6.954 2.758 -3.861) 8.418 11.582 ( 5.716 -6.381 0.494) 8.581 11.987 ( 8.502 3.001 -6.737) 11.255 12.453 ( -2.089 2.813 0.078) 3.505 13.169 ( -3.007 6.252 20.268) 21.423 13.769 ( -1.826 -5.465 8.657) 10.399 ======================= Grid point 97 (39/275) ======================= q-point: (-0.44 0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -13.014 12.190 10.875) 20.886 1.883 ( -10.235 -4.752 1.999) 11.460 2.087 ( -1.594 9.714 7.602) 12.437 2.473 ( -1.258 -3.612 10.673) 11.338 2.603 ( 6.097 -18.038 2.242) 19.172 3.000 ( -6.497 -2.116 2.703) 7.348 3.180 ( -4.255 12.555 8.642) 15.825 3.619 ( -1.299 0.971 2.534) 3.008 4.048 ( 3.527 0.924 -10.287) 10.914 4.664 ( 0.213 -2.133 0.317) 2.167 4.795 ( 6.878 -3.144 1.798) 7.774 5.484 ( -1.520 2.920 -14.095) 14.474 5.764 ( 1.467 -2.221 -7.493) 7.951 6.402 ( -8.333 1.472 13.930) 16.299 6.641 ( 5.626 -6.132 -2.742) 8.761 6.783 ( -9.439 -8.628 0.227) 12.790 7.184 ( -6.926 -5.135 0.422) 8.632 7.411 ( 1.119 -4.478 -1.384) 4.819 7.632 ( 1.910 0.363 -3.277) 3.811 7.937 ( 5.883 12.027 5.760) 14.575 8.791 ( -2.792 4.822 -3.056) 6.355 9.165 ( -3.525 3.533 0.063) 4.991 9.355 ( -3.039 -1.272 1.062) 3.462 9.601 ( 3.506 3.339 -1.841) 5.180 10.534 ( 4.299 1.583 -0.764) 4.644 10.593 ( -5.986 -10.994 -7.338) 14.510 10.906 ( -8.454 3.940 -5.863) 11.017 11.396 ( 6.249 3.425 -6.946) 9.951 11.666 ( -1.731 -4.616 -5.663) 7.508 12.004 ( 0.129 5.770 -0.053) 5.771 12.491 ( 7.434 -1.557 -3.231) 8.255 13.152 ( -1.034 1.370 24.767) 24.826 13.842 ( 1.263 -4.437 8.466) 9.642 ======================= Grid point 98 (40/275) ======================= q-point: (-0.33 0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -14.823 13.369 11.829) 23.203 1.514 ( -23.391 10.905 3.204) 26.006 2.132 ( 3.144 4.295 12.926) 13.979 2.429 ( -10.924 13.142 12.125) 20.953 2.619 ( -4.440 -0.564 10.884) 11.768 3.067 ( 6.252 -12.711 1.277) 14.223 3.206 ( 3.018 -8.961 -0.355) 9.463 3.571 ( -5.890 -2.920 3.899) 7.643 4.100 ( 5.969 0.271 -9.568) 11.280 4.729 ( 5.688 -1.079 -1.094) 5.892 4.933 ( 4.881 -3.368 0.093) 5.930 5.402 ( 0.203 3.470 -10.590) 11.145 5.780 ( -0.881 -2.394 -5.489) 6.053 6.236 ( -11.452 1.912 5.910) 13.029 6.736 ( -6.715 -8.870 -0.778) 11.152 6.792 ( 1.814 -5.843 5.729) 8.382 7.125 ( -7.224 -5.809 0.652) 9.292 7.488 ( 2.397 -3.992 0.353) 4.669 7.661 ( 2.790 -0.258 -4.442) 5.252 7.923 ( 5.705 10.714 4.830) 13.064 8.597 ( -8.614 10.906 3.374) 14.301 9.101 ( 1.281 0.951 -9.607) 9.738 9.319 ( -1.915 0.418 2.834) 3.446 9.722 ( 11.896 -0.063 -2.468) 12.150 10.471 ( -9.033 2.988 -3.531) 10.148 10.594 ( -0.426 -1.128 -0.369) 1.261 10.767 ( -4.198 -1.420 -7.393) 8.619 11.421 ( 4.920 4.946 -12.072) 13.943 11.607 ( -7.078 -2.290 -9.803) 12.306 11.913 ( -2.604 5.745 0.569) 6.334 12.632 ( 4.534 -5.747 -2.501) 7.736 13.245 ( 2.748 -2.463 28.750) 28.985 13.943 ( 2.475 -4.130 8.987) 10.195 ======================= Grid point 99 (41/275) ======================= q-point: (-0.22 0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -23.506 9.566 11.035) 27.674 1.057 ( -12.691 18.120 13.845) 26.097 1.824 ( -12.826 34.941 19.003) 41.791 2.354 ( 0.618 -6.525 14.101) 15.550 2.681 ( -0.100 -4.454 14.710) 15.370 3.183 ( -2.176 -5.801 -0.987) 6.274 3.360 ( 2.892 -0.001 0.263) 2.904 3.614 ( -0.146 -18.995 -2.183) 19.121 4.166 ( 5.699 1.088 -3.974) 7.033 4.845 ( 7.558 0.347 -1.925) 7.807 5.013 ( 0.728 -3.411 -1.142) 3.670 5.368 ( 3.616 3.956 -7.534) 9.245 5.747 ( -4.989 -2.523 -2.035) 5.949 6.049 ( -9.520 2.237 -0.114) 9.780 6.738 ( -4.135 -8.378 1.324) 9.437 6.866 ( -2.262 -5.920 6.712) 9.231 7.099 ( -2.703 -4.628 -0.800) 5.419 7.561 ( 1.266 -2.986 2.488) 4.088 7.686 ( 1.232 0.470 -5.452) 5.609 7.921 ( 3.731 5.735 5.606) 8.845 8.361 ( -6.006 11.930 4.302) 14.032 9.120 ( 4.219 0.149 -12.257) 12.964 9.350 ( 10.659 4.786 1.090) 11.735 9.916 ( 11.791 0.177 -1.979) 11.957 10.244 ( -11.394 4.179 -2.270) 12.346 10.572 ( -1.847 2.542 -0.351) 3.162 10.712 ( -4.562 -3.319 -8.696) 10.365 11.322 ( -1.942 12.710 -24.546) 27.710 11.489 ( -5.006 -1.134 -3.245) 6.072 11.820 ( -1.709 4.254 -1.877) 4.954 12.732 ( -0.450 -7.881 -1.262) 7.994 13.425 ( 0.836 -9.041 31.054) 32.354 14.057 ( 2.010 -5.430 10.098) 11.640 ======================= Grid point 100 (42/275) ======================= q-point: (-0.11 0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 6.377 9.077 19.676) 22.588 0.800 ( -0.249 20.165 17.326) 26.587 1.321 ( -8.827 33.035 28.319) 44.398 2.485 ( -3.175 -10.320 17.354) 20.439 2.748 ( -2.619 -2.773 17.063) 17.484 3.175 ( -1.561 -1.080 -1.846) 2.648 3.372 ( 0.714 -2.399 0.540) 2.560 3.815 ( -1.374 -15.047 -8.810) 17.491 4.321 ( 17.689 -2.390 4.411) 18.386 4.906 ( 1.069 2.593 -1.996) 3.442 5.037 ( -1.508 -4.035 -1.098) 4.445 5.383 ( 5.115 3.989 -5.238) 8.338 5.682 ( -6.676 -3.103 2.668) 7.830 5.876 ( -7.308 3.501 -5.958) 10.058 6.797 ( -1.903 -10.513 4.654) 11.653 6.922 ( 1.002 -4.862 5.546) 7.443 7.126 ( 1.927 -3.319 -5.158) 6.429 7.595 ( -2.699 -2.317 4.008) 5.358 7.639 ( -1.477 4.650 -7.178) 8.679 7.970 ( 0.549 -1.989 6.159) 6.495 8.144 ( -3.563 14.975 2.339) 15.570 9.137 ( 0.551 -1.165 -7.928) 8.032 9.636 ( 34.038 6.465 -7.643) 35.480 9.969 ( -4.549 6.342 -1.105) 7.882 10.110 ( -0.735 -1.005 2.242) 2.565 10.462 ( -2.121 7.081 -10.584) 12.909 10.620 ( -2.437 5.228 -8.783) 10.508 11.029 ( -0.926 19.766 -14.673) 24.634 11.437 ( -2.199 -0.527 -2.366) 3.273 11.764 ( 0.170 2.220 -4.653) 5.158 12.789 ( -1.777 -7.367 -2.016) 7.842 13.594 ( -8.911 -17.599 29.601) 35.572 14.139 ( -6.819 -7.177 9.759) 13.902 ======================= Grid point 103 (43/275) ======================= q-point: ( 0.22 0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 18.169 -0.000 4.791) 18.790 1.526 ( 9.349 -0.000 11.952) 15.174 2.370 ( -11.896 0.000 11.514) 16.555 2.390 ( -6.148 0.000 9.318) 11.163 2.754 ( -8.798 0.000 1.452) 8.917 3.056 ( -7.468 0.000 -2.008) 7.734 3.138 ( 25.972 -0.000 4.615) 26.379 3.744 ( 2.764 -0.000 -5.631) 6.272 4.472 ( -2.363 0.000 4.027) 4.669 4.534 ( -12.781 0.000 -0.780) 12.805 4.748 ( -9.803 0.000 7.014) 12.054 5.657 ( 3.823 -0.000 -7.629) 8.533 5.662 ( 2.119 -0.000 -20.990) 21.097 6.046 ( 15.859 -0.000 -4.280) 16.426 6.738 ( -7.417 0.000 9.712) 12.220 6.894 ( -10.511 0.000 -1.992) 10.698 7.151 ( -4.234 0.000 5.665) 7.072 7.330 ( 0.796 -0.000 -6.761) 6.808 7.696 ( -0.001 0.000 -5.913) 5.913 8.121 ( 6.654 -0.000 6.835) 9.539 8.521 ( 8.217 -0.000 2.944) 8.729 9.140 ( 3.194 -0.000 -2.931) 4.335 9.810 ( -9.540 0.000 10.777) 14.393 9.916 ( -0.005 0.000 0.566) 0.566 10.291 ( 0.189 -0.000 -1.155) 1.170 10.311 ( -3.706 0.000 -15.232) 15.676 11.194 ( 17.829 -0.000 -0.043) 17.829 11.257 ( 7.453 -0.000 -14.954) 16.708 11.356 ( -5.440 0.000 4.591) 7.118 11.903 ( 8.082 -0.000 -9.026) 12.116 12.593 ( -8.400 0.000 5.306) 9.936 13.474 ( 2.857 -0.000 9.069) 9.508 13.583 ( -11.907 0.000 14.156) 18.498 ======================= Grid point 104 (44/275) ======================= q-point: ( 0.33 0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 16.103 -10.007 4.045) 19.386 1.687 ( 5.143 -2.971 8.389) 10.279 2.167 ( -11.016 5.859 8.404) 15.044 2.320 ( -7.929 -4.899 5.157) 10.652 2.650 ( -3.855 5.029 7.505) 9.822 2.908 ( -10.830 -3.848 -0.397) 11.500 3.460 ( 12.640 2.351 3.306) 13.275 3.778 ( 5.349 4.169 -3.181) 7.491 4.269 ( -8.566 9.905 -1.959) 13.241 4.548 ( 0.657 -7.990 1.887) 8.236 4.623 ( -7.188 -1.504 5.594) 9.232 5.617 ( 0.507 1.775 -19.027) 19.116 5.705 ( 3.373 -1.379 -9.829) 10.483 6.278 ( 12.884 -0.521 1.312) 12.961 6.643 ( -7.270 1.005 8.103) 10.933 6.717 ( -12.450 -4.222 -1.716) 13.258 7.082 ( -9.774 -5.491 7.277) 13.365 7.346 ( 3.724 0.479 -8.264) 9.078 7.663 ( -1.253 0.831 -4.221) 4.481 8.190 ( 5.556 7.349 4.317) 10.174 8.689 ( 8.276 -3.902 -0.790) 9.184 9.195 ( 4.323 0.484 -0.064) 4.351 9.640 ( -10.114 6.928 8.538) 14.939 9.792 ( -8.296 2.640 -6.371) 10.788 10.326 ( -0.810 -6.776 -5.321) 8.653 10.356 ( 6.182 -4.654 -2.249) 8.058 11.178 ( -6.529 3.133 -6.445) 9.694 11.380 ( 6.977 1.518 -5.024) 8.731 11.452 ( 7.704 -4.958 -1.266) 9.249 12.030 ( 10.048 0.993 -5.716) 11.602 12.480 ( -6.814 0.356 6.253) 9.255 13.363 ( -5.859 9.806 15.206) 19.018 13.617 ( -0.176 -8.081 8.448) 11.692 ======================= Grid point 105 (45/275) ======================= q-point: (-0.56 0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -2.243 -3.792 4.079) 6.004 1.823 ( -5.535 6.245 12.788) 15.270 2.101 ( 7.938 -10.589 2.009) 13.386 2.283 ( -4.648 -4.819 5.113) 8.424 2.486 ( -9.197 5.357 5.515) 11.988 2.868 ( -3.366 -7.691 5.344) 9.952 3.521 ( 1.199 9.208 5.228) 10.656 3.735 ( -1.796 11.808 1.729) 12.068 4.088 ( -0.130 3.652 -9.130) 9.834 4.570 ( -3.275 -6.798 -0.362) 7.555 4.702 ( 5.837 -4.644 4.427) 8.674 5.541 ( -1.084 2.261 -15.735) 15.933 5.742 ( 3.293 -0.392 -9.876) 10.417 6.423 ( -4.538 0.231 11.673) 12.526 6.547 ( 0.734 -3.609 -4.720) 5.987 6.610 ( -7.761 -5.093 2.437) 9.598 7.003 ( -12.005 -8.793 8.731) 17.253 7.393 ( 5.833 0.977 -8.096) 10.026 7.633 ( -0.206 -0.158 -3.942) 3.950 8.190 ( 5.212 9.844 2.154) 11.345 8.819 ( 3.654 -1.169 -2.040) 4.345 9.251 ( 2.239 2.872 2.652) 4.504 9.403 ( -8.792 6.497 0.808) 10.962 9.669 ( -1.580 1.158 -1.532) 2.487 10.367 ( -3.165 -8.471 -4.422) 10.066 10.509 ( 7.059 -3.075 -1.083) 7.776 11.002 ( -8.035 4.345 -4.856) 10.345 11.446 ( 5.639 1.461 -8.862) 10.605 11.557 ( 0.017 -4.985 -6.662) 8.320 12.113 ( 2.013 3.938 1.896) 4.812 12.431 ( -1.751 -2.937 4.129) 5.361 13.261 ( -0.357 6.880 17.558) 18.861 13.726 ( 1.699 -5.833 7.673) 9.787 ======================= Grid point 106 (46/275) ======================= q-point: (-0.44 0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -15.853 11.009 7.693) 20.778 1.710 ( -10.542 7.415 10.248) 16.466 2.170 ( -0.778 2.342 8.783) 9.123 2.418 ( -2.768 -7.562 7.439) 10.963 2.506 ( 7.810 -18.885 0.313) 20.438 2.929 ( -0.044 -3.733 6.397) 7.407 3.304 ( -5.776 22.426 6.690) 24.105 3.586 ( -5.421 3.091 1.115) 6.339 4.109 ( 6.089 0.421 -8.293) 10.296 4.645 ( 3.336 -6.933 -1.333) 7.809 4.845 ( 4.204 -4.353 1.683) 6.281 5.466 ( -0.178 2.251 -11.452) 11.673 5.762 ( 1.967 0.239 -9.429) 9.635 6.267 ( -12.457 -0.284 5.956) 13.811 6.554 ( -6.007 -6.100 -1.388) 8.673 6.673 ( 3.044 -5.077 3.985) 7.135 6.938 ( -10.750 -9.820 9.396) 17.328 7.462 ( 5.843 1.148 -5.620) 8.188 7.648 ( 2.594 -1.234 -4.496) 5.335 8.163 ( 4.167 10.179 0.670) 11.019 8.782 ( -5.818 5.868 3.265) 8.885 9.157 ( -0.970 5.067 -7.075) 8.756 9.342 ( 1.173 1.379 4.999) 5.317 9.726 ( 8.719 -0.537 -1.545) 8.871 10.364 ( -7.018 -7.319 -3.110) 10.606 10.626 ( 5.168 -0.298 -0.225) 5.181 10.811 ( -6.974 5.209 -5.710) 10.411 11.484 ( 4.717 1.534 -12.550) 13.495 11.534 ( -5.649 -4.234 -10.062) 12.291 12.040 ( -3.834 5.753 5.266) 8.691 12.479 ( -2.056 -7.270 4.482) 8.785 13.294 ( 5.379 4.910 18.007) 19.424 13.836 ( 1.865 -5.326 7.766) 9.600 ======================= Grid point 107 (47/275) ======================= q-point: (-0.33 0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -18.461 13.877 8.476) 24.602 1.432 ( -8.897 16.531 16.318) 24.875 2.226 ( 1.623 -3.754 10.681) 11.437 2.493 ( -1.386 -0.179 9.614) 9.715 2.609 ( -2.845 14.475 7.366) 16.489 3.022 ( 3.590 -10.456 2.488) 11.331 3.126 ( -1.832 -6.859 0.952) 7.163 3.477 ( -5.618 1.585 1.414) 6.006 4.194 ( 7.194 1.328 -3.074) 7.936 4.792 ( 6.062 -5.348 -2.211) 8.381 4.934 ( 1.188 -3.712 0.088) 3.899 5.438 ( 3.080 2.139 -8.040) 8.872 5.738 ( -1.569 0.698 -7.806) 7.992 6.098 ( -8.761 1.424 1.578) 9.016 6.543 ( -4.207 -8.822 -1.998) 9.976 6.733 ( -4.259 -6.295 4.806) 8.992 6.952 ( -2.492 -8.198 9.771) 12.995 7.515 ( 3.124 0.468 -1.947) 3.711 7.705 ( 4.372 -0.049 -5.207) 6.800 8.102 ( 0.900 9.495 0.608) 9.557 8.586 ( -7.158 9.168 5.458) 12.849 9.129 ( 2.558 1.401 -9.655) 10.086 9.410 ( 9.010 1.525 4.886) 10.363 9.905 ( 11.410 -1.333 -1.743) 11.619 10.264 ( -10.595 -1.980 -1.768) 10.922 10.645 ( -6.535 -0.319 -7.048) 9.617 10.686 ( 3.992 5.185 0.287) 6.550 11.436 ( -5.913 -2.164 -12.476) 13.975 11.494 ( 3.404 2.674 -14.562) 15.192 11.929 ( -3.509 5.468 3.165) 7.227 12.527 ( -5.043 -9.763 5.911) 12.477 13.384 ( 3.466 2.666 18.741) 19.245 13.939 ( 0.926 -5.529 8.041) 9.802 ======================= Grid point 108 (48/275) ======================= q-point: (-0.22 0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 5.226 14.934 14.789) 21.657 1.201 ( -2.192 18.061 19.532) 26.693 2.138 ( -6.109 37.817 10.195) 39.641 2.326 ( 0.561 -4.683 13.212) 14.028 2.642 ( -1.484 -6.935 13.848) 15.558 3.102 ( -1.054 -5.407 1.545) 5.721 3.351 ( 1.646 -22.465 -5.214) 23.121 3.380 ( -5.263 0.169 0.265) 5.272 4.313 ( 10.138 0.984 4.014) 10.948 4.904 ( 2.192 -3.219 -2.845) 4.823 4.960 ( -2.368 -2.661 -0.449) 3.590 5.466 ( 5.302 2.989 -5.535) 8.226 5.675 ( -1.631 1.136 -5.687) 6.024 5.955 ( -5.869 3.332 -3.206) 7.471 6.605 ( -0.061 -9.043 -0.214) 9.046 6.761 ( -1.363 -9.094 1.752) 9.361 7.044 ( 1.004 -4.767 8.598) 9.882 7.542 ( -0.421 -0.745 1.991) 2.167 7.738 ( 3.489 3.299 -6.402) 8.003 8.005 ( -1.594 6.185 2.498) 6.858 8.417 ( -3.228 10.189 3.946) 11.393 9.124 ( 0.698 0.375 -6.917) 6.962 9.621 ( 11.081 -3.558 3.848) 12.258 10.054 ( 1.536 0.193 -0.308) 1.578 10.119 ( -0.041 2.161 -1.277) 2.510 10.544 ( -1.229 0.337 -11.061) 11.134 10.685 ( 2.278 4.756 0.581) 5.305 11.353 ( 1.961 4.580 -16.428) 17.167 11.445 ( -0.383 3.787 -13.893) 14.405 11.833 ( -2.039 4.181 -0.181) 4.656 12.566 ( -5.925 -11.682 5.836) 14.340 13.421 ( -4.501 -0.426 21.264) 21.739 14.017 ( -1.745 -5.318 8.141) 9.879 ======================= Grid point 109 (49/275) ======================= q-point: (-0.11 0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 16.571 13.628 13.889) 25.559 1.121 ( 19.114 11.797 17.105) 28.233 1.704 ( 1.145 35.476 15.915) 38.899 2.404 ( -2.105 -4.879 15.113) 16.020 2.691 ( -5.038 -3.948 15.529) 16.796 3.149 ( -0.146 -4.716 -2.350) 5.271 3.296 ( -4.645 0.127 -1.770) 4.972 3.543 ( -4.676 -20.102 -5.839) 21.448 4.545 ( 11.835 -6.096 8.585) 15.841 4.857 ( -8.211 0.937 -1.086) 8.336 4.970 ( -0.124 -4.527 -3.495) 5.720 5.500 ( 5.288 4.198 -3.079) 7.421 5.640 ( 0.849 2.187 -5.464) 5.947 5.821 ( -3.257 4.972 -6.433) 8.758 6.706 ( 1.110 -7.713 2.133) 8.079 6.925 ( 7.530 -8.830 -0.353) 11.610 7.119 ( 1.945 -3.523 2.157) 4.566 7.499 ( -6.009 1.236 3.453) 7.040 7.715 ( 2.206 6.106 -7.191) 9.688 7.967 ( -1.415 0.686 5.991) 6.194 8.270 ( 0.451 11.612 3.881) 12.252 9.112 ( 0.177 -0.280 -6.160) 6.168 9.701 ( -8.020 -5.632 11.107) 14.812 10.008 ( -4.787 0.247 2.021) 5.202 10.267 ( 18.061 0.596 -2.926) 18.306 10.535 ( 1.968 4.506 -4.376) 6.582 10.727 ( 12.042 1.108 -11.941) 16.995 11.200 ( -0.218 18.214 -26.212) 31.919 11.417 ( 3.223 -0.737 -5.461) 6.384 11.783 ( 0.698 2.159 -3.672) 4.316 12.636 ( -2.554 -12.741 1.848) 13.126 13.364 ( -12.942 -4.279 26.401) 29.713 14.021 ( -5.519 -1.752 8.146) 9.994 ======================= Grid point 113 (50/275) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 0.194 -0.000 5.380) 5.383 1.808 ( 12.492 -0.000 6.792) 14.219 2.078 ( -7.437 0.000 8.565) 11.343 2.183 ( -4.918 0.000 3.674) 6.139 2.630 ( -18.043 0.000 0.351) 18.047 2.720 ( 2.645 -0.000 10.861) 11.178 3.590 ( 1.734 -0.000 1.792) 2.494 3.901 ( 7.714 -0.000 -0.773) 7.753 4.218 ( -4.417 0.000 -5.194) 6.818 4.412 ( -8.327 0.000 -2.323) 8.645 4.647 ( 6.214 -0.000 6.700) 9.138 5.568 ( -1.500 0.000 -17.123) 17.189 5.738 ( 4.394 -0.000 -9.280) 10.267 6.434 ( -15.804 0.000 -0.846) 15.827 6.463 ( 9.506 -0.000 1.137) 9.573 6.594 ( -5.007 0.000 8.608) 9.959 6.893 ( -12.109 0.000 9.098) 15.146 7.407 ( 6.164 -0.000 -8.748) 10.702 7.631 ( -1.176 0.000 -4.676) 4.821 8.306 ( 3.345 -0.000 0.681) 3.414 8.795 ( 6.491 -0.000 -0.176) 6.494 9.278 ( 4.720 -0.000 3.705) 6.000 9.576 ( -12.127 0.000 -11.846) 16.953 9.596 ( -4.399 0.000 9.420) 10.397 10.281 ( -0.642 0.000 -2.085) 2.181 10.459 ( 8.946 -0.000 -1.598) 9.087 11.057 ( -7.850 0.000 -4.216) 8.910 11.467 ( 4.930 -0.000 -7.691) 9.135 11.488 ( 1.421 -0.000 -9.055) 9.166 12.158 ( 4.198 -0.000 1.512) 4.462 12.396 ( -5.953 0.000 7.848) 9.850 13.360 ( -3.111 0.000 14.819) 15.142 13.642 ( 4.100 -0.000 7.428) 8.484 ======================= Grid point 114 (51/275) ======================= q-point: (-0.56 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -5.005 4.266 5.376) 8.494 1.844 ( -5.825 5.535 15.586) 17.535 2.151 ( 8.345 -7.590 2.172) 11.488 2.186 ( -0.832 -6.963 5.098) 8.670 2.316 ( -16.555 1.165 3.114) 16.885 2.825 ( 2.521 -3.819 10.285) 11.256 3.568 ( -2.742 1.669 1.219) 3.433 3.911 ( -0.116 22.062 3.748) 22.379 4.121 ( 4.250 1.441 -9.024) 10.078 4.410 ( -1.897 -15.053 -2.352) 15.354 4.773 ( 5.482 -1.844 2.957) 6.496 5.493 ( -1.902 0.455 -12.297) 12.452 5.780 ( 4.093 0.962 -10.322) 11.146 6.203 ( -14.156 -3.493 0.127) 14.581 6.526 ( -4.740 2.016 4.475) 6.823 6.589 ( 3.149 -2.509 0.664) 4.080 6.764 ( -9.817 -5.336 14.096) 17.987 7.492 ( 7.172 1.016 -7.097) 10.141 7.619 ( 1.353 -1.014 -5.827) 6.067 8.324 ( 2.269 4.184 -1.217) 4.913 8.847 ( -1.033 0.889 3.129) 3.414 9.313 ( -4.850 7.584 -6.543) 11.129 9.367 ( 1.340 0.851 4.983) 5.230 9.655 ( 4.661 -5.396 1.880) 7.374 10.263 ( -2.583 -1.748 -2.167) 3.798 10.599 ( 6.993 -1.212 -0.586) 7.122 10.913 ( -6.275 3.041 -4.313) 8.199 11.445 ( -4.415 -2.742 -12.764) 13.781 11.508 ( 3.646 0.408 -11.153) 11.741 12.147 ( -3.965 3.675 7.875) 9.552 12.351 ( -4.835 -4.127 7.274) 9.661 13.392 ( 4.233 3.139 12.598) 13.656 13.739 ( 2.863 -2.959 7.806) 8.826 ======================= Grid point 115 (52/275) ======================= q-point: (-0.44 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -10.852 16.041 7.706) 20.843 1.737 ( -5.043 10.695 16.726) 20.483 2.145 ( -3.802 -3.688 8.695) 10.181 2.279 ( -2.026 -11.544 7.297) 13.806 2.443 ( 6.449 -16.497 -0.263) 17.715 2.919 ( 0.402 -4.294 8.949) 9.934 3.488 ( -1.763 9.780 1.144) 10.003 3.563 ( -7.314 22.968 0.026) 24.105 4.217 ( 8.285 0.757 -2.944) 8.825 4.593 ( 4.188 -13.950 -1.813) 14.677 4.865 ( 2.525 -2.280 0.724) 3.478 5.453 ( 0.799 -0.485 -8.114) 8.168 5.774 ( 0.877 2.700 -10.716) 11.086 6.068 ( -8.119 -4.483 0.492) 9.287 6.430 ( -5.624 -0.599 -0.658) 5.694 6.601 ( -6.270 -5.906 3.439) 9.275 6.800 ( 0.766 -5.180 14.679) 15.585 7.555 ( 4.740 2.460 -5.010) 7.323 7.675 ( 4.776 -2.375 -5.853) 7.919 8.288 ( 0.996 7.012 -1.335) 7.207 8.750 ( -6.926 5.701 5.754) 10.658 9.179 ( -0.442 2.985 -8.572) 9.088 9.435 ( 4.890 0.918 8.137) 9.537 9.840 ( 9.949 -4.611 -1.067) 11.017 10.212 ( -5.363 -1.831 -2.296) 6.115 10.657 ( -1.776 1.699 -1.974) 3.152 10.804 ( 1.366 4.466 -2.376) 5.240 11.358 ( -5.542 -4.189 -12.545) 14.340 11.525 ( 3.636 0.578 -15.088) 15.531 12.042 ( -4.941 4.905 7.433) 10.185 12.345 ( -6.161 -6.945 7.600) 11.998 13.463 ( 3.778 3.629 11.929) 13.029 13.832 ( 1.197 -4.102 7.933) 9.010 ======================= Grid point 116 (53/275) ======================= q-point: (-0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 3.549 18.146 11.224) 21.630 1.568 ( -2.802 15.605 18.601) 24.441 2.203 ( -0.735 -5.249 10.668) 11.912 2.417 ( 0.108 -11.473 9.324) 14.785 2.673 ( 0.127 -11.498 0.862) 11.531 2.973 ( -3.596 -5.923 6.207) 9.303 3.147 ( -2.523 25.273 0.924) 25.416 3.432 ( -2.181 2.513 -1.265) 3.560 4.339 ( 8.003 0.918 2.917) 8.567 4.777 ( 2.437 -9.234 -2.105) 9.780 4.904 ( -1.201 -2.316 0.231) 2.619 5.489 ( 4.782 -0.710 -5.637) 7.426 5.718 ( 0.605 2.918 -10.501) 10.915 6.001 ( -4.222 0.251 -0.616) 4.274 6.409 ( -0.575 -7.775 -2.709) 8.253 6.584 ( -4.421 -6.827 2.704) 8.571 6.928 ( 2.458 -5.343 15.231) 16.327 7.573 ( 2.335 2.841 -2.993) 4.741 7.758 ( 4.033 -1.230 -5.140) 6.648 8.192 ( -1.219 9.841 0.133) 9.917 8.599 ( -3.662 7.032 3.552) 8.687 9.149 ( 0.742 1.312 -5.996) 6.183 9.546 ( 3.450 -2.765 8.176) 9.295 10.016 ( 4.885 -2.730 0.218) 5.601 10.145 ( -1.482 -0.971 -3.556) 3.973 10.555 ( -2.107 2.696 -6.421) 7.276 10.810 ( 3.826 5.605 1.333) 6.916 11.326 ( 0.709 -3.717 -10.882) 11.522 11.527 ( 3.644 1.864 -19.910) 20.326 11.932 ( -4.170 4.693 4.052) 7.471 12.339 ( -7.520 -9.009 7.831) 14.108 13.474 ( -2.057 3.840 12.941) 13.654 13.906 ( -0.723 -4.815 8.090) 9.442 ======================= Grid point 117 (54/275) ======================= q-point: (-0.22 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 24.894 11.698 12.426) 30.182 1.438 ( 1.935 15.813 18.796) 24.639 2.234 ( -5.240 -0.029 11.501) 12.638 2.512 ( 2.007 11.057 4.982) 12.292 2.593 ( -2.936 5.549 12.845) 14.297 2.982 ( -5.965 -11.125 2.410) 12.851 3.090 ( -1.758 -12.093 -2.382) 12.450 3.379 ( 0.759 4.149 -2.712) 5.015 4.479 ( 7.149 -1.400 8.178) 10.952 4.833 ( -6.102 -3.854 -0.584) 7.241 4.880 ( -2.294 -3.323 -2.349) 4.671 5.566 ( 6.202 1.585 -4.188) 7.650 5.684 ( 2.025 2.241 -12.328) 12.693 5.927 ( -0.939 4.558 -0.133) 4.655 6.542 ( 3.258 -8.258 0.279) 8.882 6.664 ( 4.465 -12.547 -3.438) 13.755 7.056 ( 1.545 -3.667 15.334) 15.842 7.545 ( -1.427 3.310 -0.714) 3.675 7.788 ( 0.905 0.780 -4.357) 4.517 8.074 ( 0.048 9.073 0.798) 9.108 8.494 ( -0.447 8.490 1.850) 8.701 9.126 ( 0.189 1.618 -4.463) 4.752 9.584 ( -6.236 -4.592 9.202) 12.027 10.015 ( -6.694 -0.619 3.784) 7.714 10.244 ( 12.982 -2.282 -3.448) 13.625 10.566 ( 5.371 -0.674 -8.056) 9.705 10.810 ( 5.146 6.397 0.504) 8.225 11.386 ( 3.787 -1.935 -9.472) 10.383 11.471 ( 3.124 7.087 -25.729) 26.869 11.841 ( -1.900 3.174 0.582) 3.745 12.357 ( -5.785 -12.044 6.874) 15.026 13.381 ( -8.714 3.940 16.070) 18.700 13.949 ( -2.874 -4.290 8.328) 9.799 ======================= Grid point 118 (55/275) ======================= q-point: (-0.11 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 7.004 13.422 16.156) 22.141 1.684 ( 23.525 11.659 9.675) 27.982 2.080 ( 0.872 12.464 11.794) 17.181 2.447 ( 5.972 9.181 8.289) 13.735 2.601 ( -5.474 -3.644 14.768) 16.166 2.986 ( -7.750 -9.398 -2.401) 12.416 3.187 ( -5.258 -13.811 -0.836) 14.801 3.368 ( 3.606 0.829 -4.556) 5.869 4.606 ( -2.540 -3.914 11.129) 12.068 4.711 ( -5.963 -1.244 -2.339) 6.525 4.886 ( -3.513 -4.994 -2.340) 6.539 5.627 ( 6.187 2.993 -6.585) 9.518 5.663 ( 2.205 1.033 -11.730) 11.980 5.879 ( 3.595 8.403 0.755) 9.170 6.659 ( 1.957 -7.008 -0.067) 7.277 6.962 ( 12.509 -13.941 -5.377) 19.487 7.121 ( -0.875 -0.913 11.612) 11.681 7.450 ( -4.649 4.209 -0.415) 6.285 7.756 ( -1.304 2.315 -3.347) 4.273 7.982 ( -3.666 6.427 5.659) 9.315 8.441 ( 6.625 8.655 0.686) 10.921 9.104 ( 0.362 0.620 -5.121) 5.171 9.569 ( -4.312 -6.227 10.166) 12.677 9.902 ( -7.666 0.300 5.974) 9.724 10.531 ( 16.482 -4.256 -1.757) 17.113 10.581 ( -0.541 3.725 -0.648) 3.819 10.897 ( 10.859 0.193 -7.802) 13.372 11.225 ( -6.053 12.813 -21.665) 25.888 11.489 ( 5.452 1.280 -12.221) 13.443 11.812 ( 1.462 1.634 -3.610) 4.223 12.468 ( -0.165 -14.845 0.646) 14.860 13.225 ( -11.190 2.350 21.614) 24.452 13.944 ( -4.808 -1.733 8.678) 10.071 ======================= Grid point 123 (56/275) ======================= q-point: ( 0.44 -0.56 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 0.517 -0.000 8.628) 8.644 1.786 ( -8.203 0.000 13.837) 16.085 2.092 ( -11.220 0.000 10.312) 15.240 2.125 ( -1.449 0.000 6.971) 7.120 2.244 ( 6.485 -0.000 -0.615) 6.514 2.866 ( 0.395 -0.000 10.399) 10.406 3.521 ( -3.471 0.000 -0.869) 3.578 4.131 ( -1.038 0.000 -7.722) 7.792 4.172 ( -3.585 0.000 -2.941) 4.637 4.261 ( 12.836 -0.000 5.815) 14.092 4.841 ( 3.262 -0.000 0.673) 3.331 5.443 ( -0.331 0.000 -8.060) 8.067 5.822 ( 3.453 -0.000 -12.486) 12.954 5.988 ( -8.864 0.000 -0.090) 8.864 6.473 ( -9.899 0.000 -1.863) 10.073 6.497 ( -3.730 0.000 6.343) 7.358 6.744 ( 2.144 -0.000 15.414) 15.562 7.597 ( 6.398 -0.000 -4.587) 7.872 7.632 ( 3.456 -0.000 -7.354) 8.126 8.369 ( 1.656 -0.000 -2.456) 2.962 8.812 ( -5.385 0.000 6.390) 8.356 9.224 ( -5.279 0.000 -8.803) 10.265 9.447 ( 3.064 -0.000 9.489) 9.971 9.770 ( 12.083 -0.000 -0.643) 12.100 10.194 ( -5.109 0.000 -1.800) 5.416 10.684 ( 2.732 -0.000 -0.905) 2.878 10.856 ( -0.413 0.000 -2.717) 2.748 11.302 ( -5.716 0.000 -13.692) 14.837 11.530 ( 3.334 -0.000 -14.806) 15.177 12.113 ( -5.735 0.000 10.608) 12.059 12.253 ( -6.151 0.000 6.125) 8.680 13.508 ( 3.597 -0.000 9.738) 10.381 13.783 ( 1.470 -0.000 8.302) 8.431 ======================= Grid point 125 (57/275) ======================= q-point: (-0.44 0.44 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 1.904 17.563 9.987) 20.293 1.821 ( -1.629 4.529 17.265) 17.923 2.063 ( 0.363 -7.416 10.290) 12.689 2.174 ( -0.628 -7.686 8.253) 11.295 2.360 ( 1.156 -9.649 0.853) 9.756 2.873 ( -4.617 -2.759 8.534) 10.087 3.463 ( -2.697 1.001 -2.165) 3.601 3.821 ( -1.713 29.195 -3.028) 29.401 4.295 ( 2.611 -9.395 -3.296) 10.293 4.526 ( 7.343 -9.672 6.977) 14.005 4.872 ( -0.282 -0.698 -0.184) 0.775 5.464 ( 4.885 -0.964 -5.780) 7.629 5.794 ( 0.890 3.705 -12.980) 13.527 5.947 ( -0.356 -4.182 -0.675) 4.251 6.325 ( -5.929 -0.601 -1.720) 6.203 6.475 ( -3.546 -3.057 4.600) 6.564 6.842 ( 3.139 -2.227 15.626) 16.093 7.639 ( 3.498 3.138 -4.202) 6.304 7.707 ( 4.167 -2.981 -5.097) 7.227 8.364 ( 1.145 4.791 -2.027) 5.326 8.717 ( -5.265 3.438 5.435) 8.312 9.154 ( -0.948 -0.678 -6.710) 6.810 9.518 ( 2.486 -0.048 10.219) 10.517 9.965 ( 7.070 -1.503 -0.091) 7.229 10.095 ( -4.480 -2.198 -3.515) 6.104 10.645 ( -2.353 3.771 -3.333) 5.556 10.899 ( 5.284 2.366 1.530) 5.988 11.237 ( 1.099 -3.413 -13.888) 14.343 11.543 ( 4.007 0.110 -18.809) 19.232 12.025 ( -5.560 3.589 8.188) 10.528 12.187 ( -7.674 -4.905 6.190) 11.012 13.546 ( -0.924 2.180 9.590) 9.878 13.825 ( -0.648 -2.296 8.500) 8.828 ======================= Grid point 126 (58/275) ======================= q-point: (-0.33 0.44 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 14.921 13.539 11.995) 23.449 1.748 ( 0.088 12.083 17.420) 21.201 2.173 ( -0.208 -2.931 10.067) 10.487 2.336 ( 3.565 -12.152 9.024) 15.551 2.480 ( -3.603 -14.826 3.432) 15.639 2.834 ( -7.327 -5.729 5.064) 10.590 3.349 ( -3.750 13.759 -3.038) 14.581 3.540 ( 3.737 18.972 -1.424) 19.389 4.426 ( 3.647 -5.711 2.418) 7.195 4.692 ( -0.725 -7.405 5.124) 9.034 4.837 ( -5.195 -1.175 -0.702) 5.372 5.577 ( 9.271 -0.057 -5.878) 10.977 5.733 ( -0.108 2.005 -14.463) 14.602 6.002 ( 4.427 2.065 2.554) 5.513 6.342 ( 4.140 -8.367 -3.777) 10.071 6.481 ( -1.714 -4.871 2.291) 5.649 6.970 ( 2.958 -3.604 17.380) 17.995 7.627 ( 0.455 3.889 -2.351) 4.568 7.771 ( 1.334 -2.028 -3.238) 4.047 8.287 ( -0.272 9.137 -1.414) 9.250 8.632 ( -0.728 4.471 1.227) 4.693 9.150 ( 0.633 -0.333 -3.772) 3.839 9.546 ( -2.676 1.861 8.726) 9.315 9.944 ( -7.002 -5.968 3.653) 9.900 10.190 ( 8.388 -2.227 -4.036) 9.571 10.583 ( 1.321 2.394 -3.958) 4.811 10.942 ( 4.624 5.216 2.119) 7.286 11.325 ( 8.087 -3.509 -14.104) 16.632 11.552 ( 4.816 1.391 -23.718) 24.242 11.915 ( -4.863 3.526 4.549) 7.535 12.143 ( -7.966 -7.726 7.405) 13.341 13.479 ( -6.301 4.355 11.339) 13.684 13.857 ( -2.358 -3.873 8.790) 9.890 ======================= Grid point 127 (59/275) ======================= q-point: (-0.22 0.44 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 2.882 11.903 17.513) 21.370 1.831 ( 20.241 4.307 11.141) 23.503 2.169 ( -4.386 1.293 7.498) 8.782 2.494 ( -1.299 -5.720 12.758) 14.042 2.576 ( -5.530 -13.753 5.782) 15.911 2.827 ( -0.953 -5.858 0.317) 5.943 3.113 ( 0.620 18.305 -1.592) 18.384 3.481 ( 4.744 7.943 -2.799) 9.666 4.541 ( 1.339 -3.493 7.954) 8.789 4.658 ( -10.016 -3.089 -0.167) 10.482 4.780 ( -4.625 -4.863 -0.399) 6.722 5.653 ( 1.050 0.298 -16.343) 16.379 5.720 ( 7.421 3.064 -4.418) 9.164 6.048 ( 6.655 7.179 3.708) 10.468 6.513 ( 2.004 -6.182 0.684) 6.535 6.628 ( 11.057 -14.938 -4.405) 19.100 7.091 ( 1.336 -2.578 17.762) 17.998 7.552 ( -3.147 4.938 -1.901) 6.157 7.768 ( -2.233 -0.200 -0.945) 2.433 8.169 ( -1.982 9.381 -0.451) 9.599 8.605 ( 4.603 5.801 -1.755) 7.610 9.138 ( 0.004 2.100 -2.912) 3.591 9.470 ( -6.382 -1.618 6.919) 9.551 9.913 ( -4.676 -0.589 6.853) 8.317 10.393 ( 12.448 -7.682 -2.271) 14.803 10.596 ( 0.402 -0.766 -2.077) 2.250 10.963 ( 4.839 4.533 -1.503) 6.798 11.403 ( 3.356 3.878 -16.964) 17.722 11.532 ( 4.077 3.025 -20.007) 20.641 11.848 ( -0.372 1.606 -0.134) 1.654 12.167 ( -3.350 -12.382 4.843) 13.711 13.327 ( -9.163 6.019 15.040) 18.612 13.877 ( -3.491 -3.989 9.200) 10.618 ======================= Grid point 128 (60/275) ======================= q-point: (-0.11 0.44 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 5.849 10.195 14.490) 18.658 2.030 ( -10.375 -3.014 9.272) 14.237 2.161 ( 17.472 9.312 8.604) 21.587 2.517 ( -5.132 -2.715 12.867) 14.116 2.592 ( -7.841 -9.050 2.708) 12.276 2.919 ( 11.097 4.879 -0.482) 12.132 3.029 ( 0.609 -0.494 1.730) 1.899 3.481 ( 5.381 5.982 -2.990) 8.584 4.424 ( -15.079 -1.583 2.966) 15.449 4.668 ( 1.316 -4.292 0.506) 4.517 4.748 ( -6.177 -4.764 2.022) 8.059 5.620 ( 0.311 -1.485 -16.602) 16.672 5.769 ( 5.223 5.426 -5.815) 9.514 6.100 ( 9.396 9.219 7.117) 14.964 6.610 ( 1.367 -6.709 -2.044) 7.146 6.992 ( 12.801 -15.666 -4.612) 20.750 7.143 ( -1.093 1.505 13.798) 13.923 7.420 ( -5.056 4.820 -2.723) 7.497 7.722 ( -2.996 -0.153 0.026) 3.000 8.002 ( -6.609 9.696 5.839) 13.106 8.653 ( 9.415 5.565 -3.815) 11.584 9.108 ( 0.681 1.348 -4.892) 5.120 9.449 ( -4.926 -7.338 7.090) 11.330 9.842 ( -4.314 3.264 7.882) 9.560 10.561 ( -4.081 1.122 0.545) 4.267 10.709 ( 13.787 -8.800 -2.169) 16.499 10.988 ( 2.849 0.130 -13.604) 13.900 11.283 ( 1.678 12.939 -6.811) 14.718 11.520 ( 1.767 1.095 -12.547) 12.718 11.843 ( 1.854 1.008 -4.429) 4.906 12.313 ( 0.867 -14.741 -2.691) 15.009 13.172 ( -7.051 5.290 19.770) 21.646 13.874 ( -4.160 -2.078 9.483) 10.562 ======================= Grid point 134 (61/275) ======================= q-point: (-0.44 0.56 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 2.315 -0.000 14.660) 14.842 1.873 ( 2.654 -0.000 13.587) 13.843 2.128 ( 10.989 -0.000 10.463) 15.173 2.161 ( 1.799 -0.000 8.689) 8.873 2.297 ( -2.708 0.000 3.736) 4.614 2.762 ( -9.184 0.000 6.163) 11.060 3.432 ( -1.012 0.000 -3.415) 3.562 3.975 ( -4.957 0.000 -5.174) 7.166 4.213 ( 6.076 -0.000 -2.177) 6.455 4.613 ( 2.403 -0.000 12.628) 12.855 4.824 ( -5.530 0.000 -0.428) 5.547 5.575 ( 11.196 -0.000 -5.826) 12.621 5.758 ( -2.634 0.000 -16.304) 16.515 6.015 ( 10.618 -0.000 2.731) 10.963 6.253 ( -0.694 0.000 -3.657) 3.723 6.429 ( -2.171 0.000 4.484) 4.982 6.927 ( 3.333 -0.000 17.005) 17.329 7.691 ( -0.179 0.000 -0.658) 0.682 7.725 ( 3.113 -0.000 -5.003) 5.893 8.398 ( -0.164 0.000 -2.719) 2.724 8.683 ( -2.205 0.000 2.963) 3.694 9.132 ( 1.105 -0.000 -4.492) 4.626 9.608 ( 5.456 -0.000 9.840) 11.252 9.839 ( -14.201 0.000 1.710) 14.304 10.164 ( 8.504 -0.000 -3.503) 9.197 10.621 ( -2.255 0.000 -1.846) 2.914 11.007 ( 4.446 -0.000 3.617) 5.731 11.272 ( 10.815 -0.000 -17.837) 20.860 11.563 ( 5.529 -0.000 -22.991) 23.647 11.976 ( -6.354 0.000 8.618) 10.707 12.038 ( -8.303 0.000 4.718) 9.550 13.534 ( -5.163 0.000 9.958) 11.217 13.808 ( -2.592 0.000 9.076) 9.439 ======================= Grid point 136 (62/275) ======================= q-point: (-0.33 0.56 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -1.248 1.398 14.856) 14.973 1.912 ( 1.575 3.972 12.427) 13.141 2.216 ( 3.145 2.114 7.873) 8.737 2.320 ( -1.381 -7.599 10.744) 13.232 2.406 ( 11.797 0.209 8.446) 14.510 2.656 ( -6.073 -7.375 2.382) 9.846 3.397 ( 0.230 4.334 -4.534) 6.276 3.794 ( 1.396 17.403 -2.395) 17.622 4.386 ( 4.726 -9.981 -1.930) 11.211 4.627 ( -6.515 0.219 10.454) 12.320 4.694 ( -9.670 -2.611 0.415) 10.025 5.661 ( -2.610 0.368 -15.897) 16.114 5.764 ( 13.134 0.960 -7.255) 15.035 6.189 ( 9.668 6.248 2.829) 11.854 6.351 ( 10.592 -9.375 -2.579) 14.378 6.426 ( -1.210 -2.645 4.237) 5.139 7.035 ( 2.690 -1.790 18.096) 18.382 7.642 ( -3.280 2.860 -0.761) 4.418 7.753 ( -0.153 -0.977 -1.458) 1.762 8.335 ( -3.082 4.845 -2.668) 6.332 8.679 ( 2.568 1.341 -1.685) 3.351 9.152 ( 1.288 -0.572 -1.823) 2.304 9.548 ( -9.380 7.627 3.718) 12.648 9.821 ( 4.525 -7.562 7.477) 11.557 10.275 ( 5.627 -2.442 -1.846) 6.405 10.583 ( -1.995 -0.316 -0.251) 2.035 11.042 ( 1.007 2.225 -0.043) 2.443 11.433 ( 12.825 0.092 -20.784) 24.423 11.595 ( 6.248 1.964 -22.284) 23.227 11.878 ( -4.379 1.234 4.612) 6.478 11.965 ( -7.009 -5.789 6.875) 11.397 13.442 ( -7.046 3.613 12.208) 14.551 13.797 ( -3.620 -2.694 9.717) 10.714 ======================= Grid point 137 (63/275) ======================= q-point: (-0.22 0.56 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -4.056 -1.605 14.083) 14.743 1.897 ( -5.318 -0.245 8.638) 10.147 2.297 ( 1.252 -3.259 12.094) 12.588 2.399 ( 1.555 2.554 1.858) 3.521 2.446 ( -1.224 -4.526 14.561) 15.297 2.831 ( 10.699 -5.615 2.364) 12.312 3.316 ( 2.342 11.546 -3.560) 12.308 3.687 ( 6.204 14.035 -1.376) 15.407 4.413 ( -16.570 0.469 0.334) 16.580 4.538 ( 2.866 -7.604 -1.295) 8.228 4.643 ( -5.737 -4.611 6.106) 9.563 5.587 ( -1.884 -1.368 -15.063) 15.242 5.898 ( 9.310 5.744 -8.995) 14.162 6.271 ( 8.885 6.228 7.069) 12.950 6.472 ( 0.723 -5.385 0.654) 5.473 6.684 ( 14.371 -11.844 -0.423) 18.627 7.136 ( 1.056 -1.602 17.383) 17.489 7.522 ( -6.421 3.940 -2.362) 7.895 7.729 ( -2.216 0.968 -0.125) 2.421 8.197 ( -5.334 7.257 0.406) 9.015 8.724 ( 5.025 0.827 -4.662) 6.904 9.155 ( 0.332 1.739 -1.878) 2.582 9.368 ( -6.920 0.817 3.454) 7.777 9.927 ( 1.232 3.918 7.290) 8.367 10.458 ( 7.084 -11.056 -1.060) 13.173 10.561 ( -0.594 -2.175 1.247) 2.577 11.010 ( -0.279 1.389 -8.720) 8.835 11.528 ( -3.506 7.238 -8.159) 11.456 11.536 ( 9.521 3.209 -17.112) 19.844 11.863 ( 0.908 0.709 -2.211) 2.493 12.014 ( 0.604 -12.545 -0.386) 12.565 13.317 ( -5.196 7.003 15.397) 17.695 13.803 ( -3.539 -4.064 10.332) 11.653 ======================= Grid point 138 (64/275) ======================= q-point: (-0.11 -0.44 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -14.189 -9.304 6.543) 18.185 1.863 ( 1.744 3.350 14.043) 14.542 2.261 ( -12.438 -7.739 4.737) 15.396 2.456 ( 1.766 -0.602 11.085) 11.241 2.574 ( 10.539 4.818 8.171) 14.179 3.015 ( 6.665 -0.166 2.838) 7.246 3.241 ( 2.996 8.820 -0.346) 9.321 3.636 ( 2.815 10.513 0.944) 10.924 4.164 ( -12.308 -1.712 -4.498) 13.216 4.633 ( -0.123 -3.999 -2.129) 4.532 4.636 ( -0.929 -4.864 5.595) 7.472 5.546 ( -1.184 -2.884 -15.269) 15.584 5.892 ( 2.928 8.262 -7.130) 11.299 6.373 ( 8.055 7.154 14.574) 18.124 6.556 ( 2.417 -5.526 -4.979) 7.821 7.024 ( 10.207 -11.357 -0.950) 15.299 7.182 ( 0.034 0.819 10.550) 10.581 7.357 ( -6.958 2.476 -3.566) 8.202 7.681 ( -1.853 0.906 -0.356) 2.093 8.010 ( -7.454 9.855 6.870) 14.138 8.776 ( 2.202 -1.439 -5.958) 6.512 9.142 ( 2.639 2.147 -3.737) 5.053 9.326 ( -2.442 -3.575 4.264) 6.076 9.833 ( -6.918 6.046 4.452) 10.210 10.478 ( -4.392 -2.684 -0.117) 5.149 10.793 ( 9.219 -7.948 -3.996) 12.811 10.988 ( 3.721 -0.949 -12.768) 13.333 11.330 ( -9.793 4.776 -0.835) 10.928 11.621 ( 10.630 4.959 -5.315) 12.878 11.865 ( 1.896 0.054 -6.819) 7.078 12.178 ( 2.670 -12.151 -4.860) 13.356 13.220 ( -2.432 8.069 18.336) 20.180 13.822 ( -2.267 -2.796 10.444) 11.047 ======================= Grid point 145 (65/275) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -11.183 0.000 8.621) 14.120 1.932 ( -5.160 0.000 13.158) 14.134 2.264 ( 0.213 -0.000 15.023) 15.024 2.374 ( 0.500 -0.000 15.733) 15.741 2.475 ( -0.189 0.000 -2.070) 2.079 2.752 ( 18.474 -0.000 5.828) 19.372 3.423 ( 1.020 -0.000 -4.820) 4.927 3.920 ( 3.694 -0.000 -0.880) 3.798 4.408 ( 5.374 -0.000 -4.151) 6.790 4.426 ( -17.726 0.000 -3.337) 18.037 4.584 ( -5.409 0.000 12.313) 13.449 5.570 ( -3.031 0.000 -14.565) 14.878 5.971 ( 13.313 -0.000 -12.420) 18.207 6.344 ( 6.073 -0.000 -4.298) 7.440 6.409 ( -0.812 0.000 12.564) 12.590 6.542 ( 16.838 -0.000 3.719) 17.244 7.111 ( 1.774 -0.000 17.690) 17.779 7.567 ( -7.368 0.000 -1.285) 7.480 7.745 ( -0.380 0.000 -0.345) 0.513 8.281 ( -5.450 0.000 -2.487) 5.991 8.722 ( 2.188 -0.000 -3.079) 3.778 9.165 ( 0.761 -0.000 -0.722) 1.048 9.415 ( -9.010 0.000 0.991) 9.064 9.976 ( 10.754 -0.000 7.425) 13.068 10.310 ( 1.843 -0.000 -0.624) 1.946 10.533 ( -2.799 0.000 1.622) 3.235 11.028 ( -1.481 0.000 -7.724) 7.864 11.536 ( 2.667 -0.000 -19.523) 19.704 11.699 ( 9.693 -0.000 -12.510) 15.826 11.810 ( -2.239 0.000 2.115) 3.080 11.877 ( -1.690 0.000 1.856) 2.510 13.410 ( -3.282 0.000 13.733) 14.120 13.743 ( -4.278 0.000 10.900) 11.710 ======================= Grid point 146 (66/275) ======================= q-point: (-0.22 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -15.931 -6.585 7.179) 18.673 1.839 ( -11.333 -2.490 13.586) 17.866 2.260 ( -2.905 5.294 8.718) 10.605 2.387 ( 0.439 -4.991 12.853) 13.795 2.633 ( 12.428 1.078 7.465) 14.538 3.022 ( 12.364 0.307 4.903) 13.304 3.374 ( -5.475 2.872 -1.452) 6.351 3.922 ( 3.503 12.156 1.102) 12.698 4.139 ( -12.799 -1.072 -7.742) 14.996 4.504 ( 3.059 -5.798 -4.604) 8.011 4.562 ( -1.369 -2.215 8.419) 8.812 5.493 ( -2.737 -1.542 -13.570) 13.929 6.063 ( 5.780 6.046 -13.599) 15.965 6.448 ( 1.296 -1.733 5.283) 5.709 6.469 ( 8.712 -0.555 8.620) 12.268 6.829 ( 13.499 -4.645 3.548) 14.710 7.180 ( 0.360 -0.738 15.482) 15.504 7.406 ( -10.258 1.397 -4.091) 11.132 7.727 ( -0.205 2.262 -1.223) 2.580 8.163 ( -6.045 3.616 0.760) 7.085 8.714 ( -4.229 -2.518 -1.472) 5.138 9.169 ( 0.147 0.197 -0.841) 0.876 9.336 ( 1.701 2.406 -1.985) 3.553 9.989 ( -6.530 7.161 2.331) 9.968 10.367 ( -2.266 -6.736 -0.668) 7.139 10.606 ( 9.872 -5.733 2.940) 11.789 10.994 ( 1.336 0.445 -10.782) 10.873 11.394 ( -12.452 1.316 -7.181) 14.435 11.749 ( 7.678 6.788 -3.524) 10.837 11.863 ( -0.570 -1.155 -2.333) 2.665 11.950 ( 8.907 -7.940 -8.965) 14.925 13.401 ( 1.183 6.898 14.572) 16.166 13.733 ( -3.223 -4.351 12.118) 13.273 ======================= Grid point 147 (67/275) ======================= q-point: (-0.11 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -16.577 -11.323 6.298) 21.040 1.731 ( -14.772 -11.435 13.608) 23.111 2.187 ( -0.299 7.110 6.338) 9.530 2.483 ( 1.324 -1.527 14.236) 14.379 2.798 ( 3.235 1.346 7.570) 8.341 3.159 ( -4.987 2.951 4.334) 7.237 3.176 ( -1.604 1.878 2.301) 3.375 3.797 ( 1.108 13.202 0.580) 13.261 4.040 ( -0.063 0.256 -10.080) 10.084 4.590 ( 1.497 -5.296 -3.017) 6.276 4.651 ( 6.905 -2.674 3.327) 8.118 5.443 ( -2.380 -3.356 -13.306) 13.928 5.993 ( 0.190 8.749 -7.994) 11.853 6.460 ( -3.419 0.733 11.935) 12.437 6.664 ( 11.020 0.766 3.440) 11.569 7.065 ( 3.624 -3.302 0.821) 4.971 7.198 ( -1.346 -3.319 3.178) 4.789 7.246 ( -3.793 -0.611 0.045) 3.842 7.689 ( 0.419 3.343 -2.944) 4.475 8.009 ( -7.017 7.960 7.585) 13.043 8.653 ( -8.265 -7.318 -1.870) 11.196 9.159 ( -0.985 0.101 -1.015) 1.418 9.392 ( 8.875 3.198 -3.707) 10.135 9.737 ( -13.442 6.005 -1.165) 14.768 10.382 ( -2.071 -5.490 -0.734) 5.913 10.824 ( 4.672 -4.550 -5.470) 8.512 11.013 ( 1.112 0.638 -10.238) 10.318 11.165 ( -8.477 -2.306 1.456) 8.905 11.787 ( 2.476 2.754 -0.030) 3.704 11.858 ( 0.810 -1.812 -9.656) 9.858 12.184 ( 13.358 -5.637 -3.523) 14.921 13.354 ( -0.322 11.498 17.549) 20.982 13.800 ( 0.794 -4.734 11.828) 12.765 ======================= Grid point 155 (68/275) ======================= q-point: (-0.22 -0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -18.780 0.000 8.687) 20.692 1.607 ( -18.138 0.000 13.781) 22.780 2.287 ( -0.710 0.000 6.675) 6.713 2.449 ( 4.553 -0.000 16.491) 17.108 2.807 ( -0.398 0.000 6.809) 6.821 3.184 ( -13.538 0.000 3.656) 14.023 3.202 ( 7.432 -0.000 4.521) 8.699 3.996 ( 1.966 -0.000 -15.682) 15.805 4.039 ( -0.944 0.000 5.202) 5.287 4.505 ( 3.162 -0.000 -5.921) 6.712 4.615 ( 7.039 -0.000 4.363) 8.282 5.402 ( -3.021 0.000 -12.152) 12.522 6.100 ( -0.473 0.000 -12.606) 12.615 6.515 ( 2.970 -0.000 6.081) 6.768 6.609 ( 7.993 -0.000 12.806) 15.095 7.007 ( 9.346 -0.000 4.740) 10.479 7.186 ( -8.460 0.000 3.396) 9.116 7.239 ( -4.022 0.000 0.963) 4.136 7.748 ( 1.366 -0.000 -3.295) 3.566 8.090 ( -5.630 0.000 1.516) 5.831 8.563 ( -11.502 0.000 3.568) 12.043 9.163 ( -0.518 0.000 -1.734) 1.809 9.438 ( 9.242 -0.000 -5.537) 10.774 9.830 ( -15.577 0.000 -3.238) 15.910 10.299 ( -2.361 0.000 -0.840) 2.506 10.742 ( 8.383 -0.000 0.572) 8.403 11.022 ( 5.271 -0.000 -7.934) 9.526 11.148 ( -15.851 0.000 -3.423) 16.216 11.828 ( -1.494 0.000 -0.695) 1.648 11.828 ( 0.854 -0.000 -9.974) 10.011 12.122 ( 17.049 -0.000 -2.769) 17.273 13.553 ( 6.069 -0.000 12.143) 13.575 13.681 ( -3.263 0.000 16.025) 16.354 ======================= Grid point 156 (69/275) ======================= q-point: (-0.11 -0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -17.893 -9.878 9.277) 22.445 1.373 ( -19.826 -7.812 15.353) 26.264 2.276 ( -3.447 5.234 9.459) 11.347 2.460 ( -27.598 -0.828 9.676) 29.257 2.584 ( -0.856 -3.086 15.477) 15.805 3.209 ( 9.551 2.960 1.618) 10.129 3.286 ( 2.657 0.659 2.864) 3.962 3.941 ( -0.827 10.670 2.329) 10.952 4.059 ( 5.710 -0.082 -14.802) 15.866 4.574 ( 4.350 -3.673 -3.873) 6.886 4.784 ( 10.545 -1.889 1.333) 10.795 5.339 ( -2.147 -2.273 -11.149) 11.579 6.019 ( -2.744 3.835 -8.712) 9.906 6.471 ( -6.116 8.820 12.642) 16.584 6.817 ( 7.674 -4.750 8.699) 12.535 6.999 ( -7.613 1.297 -5.013) 9.207 7.160 ( 4.550 -5.957 3.871) 8.436 7.240 ( 0.048 -0.538 1.835) 1.913 7.737 ( 1.465 3.940 -6.142) 7.442 7.994 ( -5.268 3.978 7.140) 9.724 8.406 ( -12.135 -6.027 3.647) 14.032 9.134 ( -2.112 0.481 -4.218) 4.742 9.544 ( -11.022 4.199 -4.358) 12.574 9.585 ( 8.210 1.026 -5.164) 9.753 10.274 ( -3.542 -5.601 -2.173) 6.974 10.823 ( 0.415 -0.802 -4.566) 4.655 10.892 ( -11.424 2.051 -2.355) 11.843 11.131 ( 6.001 -5.044 -6.942) 10.471 11.769 ( -4.426 0.539 -6.351) 7.760 11.814 ( -0.410 -1.719 -8.162) 8.351 12.419 ( 17.998 -1.399 1.432) 18.109 13.548 ( 1.328 14.476 19.252) 24.124 13.806 ( 4.029 -8.266 14.423) 17.105 ======================= Grid point 165 (70/275) ======================= q-point: (-0.11 -0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -17.540 0.000 13.564) 22.173 1.039 ( -21.492 0.000 18.606) 28.427 1.779 ( -44.359 0.000 15.197) 46.890 2.413 ( 4.968 -0.000 15.430) 16.210 2.663 ( 2.409 -0.000 16.668) 16.841 3.290 ( -2.412 0.000 1.978) 3.119 3.365 ( 5.878 -0.000 -5.084) 7.772 3.979 ( -2.115 0.000 2.759) 3.477 4.121 ( 6.040 -0.000 -16.767) 17.822 4.648 ( 8.161 -0.000 -2.708) 8.598 4.935 ( 8.842 -0.000 0.314) 8.848 5.279 ( -0.086 0.000 -9.154) 9.154 5.958 ( -3.815 0.000 -8.383) 9.210 6.408 ( -14.124 0.000 6.941) 15.737 6.897 ( 4.760 -0.000 8.288) 9.557 6.965 ( 2.258 -0.000 8.926) 9.207 7.182 ( 1.159 -0.000 3.256) 3.456 7.228 ( 0.152 -0.000 -4.955) 4.957 7.757 ( -0.071 0.000 -9.908) 9.908 7.965 ( -2.578 0.000 5.866) 6.408 8.207 ( -9.389 0.000 9.294) 13.210 9.045 ( -7.850 0.000 -9.440) 12.277 9.363 ( -9.160 0.000 -3.457) 9.791 9.743 ( 9.296 -0.000 -4.294) 10.239 10.171 ( -2.865 0.000 -3.871) 4.815 10.725 ( -9.272 0.000 2.591) 9.627 10.825 ( 0.456 -0.000 -5.189) 5.209 11.108 ( -2.838 0.000 -20.583) 20.777 11.644 ( -8.681 0.000 -6.140) 10.632 11.774 ( -0.538 0.000 -7.551) 7.570 12.682 ( 13.760 -0.000 0.248) 13.762 13.792 ( 3.911 -0.000 9.724) 10.482 13.865 ( 11.848 -0.000 32.178) 34.290 ======================= Grid point 166 (71/275) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -5.519 0.000 21.939) 22.623 0.932 ( 6.382 -0.000 21.653) 22.574 1.834 ( -8.034 0.000 40.449) 41.239 2.965 ( -4.299 0.000 14.028) 14.672 3.070 ( -5.916 0.000 -0.641) 5.950 3.226 ( -1.857 0.000 18.682) 18.774 3.357 ( 0.290 -0.000 -4.469) 4.479 3.887 ( -4.172 0.000 -0.866) 4.261 4.398 ( 21.645 -0.000 0.993) 21.668 4.841 ( 2.026 -0.000 -0.350) 2.056 5.051 ( 0.055 -0.000 -3.308) 3.308 5.226 ( 4.171 -0.000 -4.558) 6.178 5.539 ( -4.500 0.000 -12.611) 13.390 5.991 ( -14.368 0.000 7.216) 16.078 7.028 ( -1.525 0.000 -5.774) 5.972 7.067 ( -1.042 0.000 2.028) 2.281 7.250 ( -3.028 0.000 4.666) 5.562 7.311 ( -7.418 0.000 -10.655) 12.983 7.478 ( -1.045 0.000 -6.151) 6.239 7.698 ( 9.461 -0.000 2.998) 9.924 8.329 ( 1.598 -0.000 6.940) 7.121 8.963 ( 1.474 -0.000 -10.714) 10.815 9.466 ( 21.254 -0.000 13.097) 24.965 9.937 ( 3.522 -0.000 1.898) 4.001 10.129 ( 9.120 -0.000 -4.730) 10.273 10.286 ( -14.038 0.000 6.438) 15.444 10.603 ( -5.640 0.000 4.260) 7.068 10.789 ( 0.568 -0.000 -3.809) 3.851 11.429 ( -3.413 0.000 -1.134) 3.597 11.571 ( 1.231 -0.000 -9.336) 9.417 12.748 ( 0.673 -0.000 -6.619) 6.654 14.138 ( -1.404 0.000 14.121) 14.190 14.373 ( -11.452 0.000 1.039) 11.499 ======================= Grid point 167 (72/275) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 1.037 -14.265 17.669) 22.732 1.275 ( 21.431 -3.414 18.935) 28.801 1.943 ( 5.033 -5.739 36.190) 36.986 2.899 ( -5.127 5.035 17.652) 19.059 2.965 ( -5.865 0.216 -0.358) 5.880 3.229 ( -6.947 2.636 -0.959) 7.492 3.264 ( -4.897 -1.319 10.091) 11.293 3.773 ( -4.509 7.406 -0.614) 8.692 4.698 ( 10.309 1.410 -3.049) 10.843 4.843 ( 2.597 0.657 1.357) 3.003 4.990 ( -3.678 3.687 -3.607) 6.335 5.300 ( 5.280 -3.057 -6.725) 9.080 5.444 ( -3.757 -1.868 -13.296) 13.942 5.786 ( -11.522 0.184 10.306) 15.459 6.996 ( 2.134 14.669 -0.276) 14.826 7.016 ( 3.363 6.212 -6.224) 9.415 7.090 ( -0.833 -2.780 1.884) 3.460 7.380 ( -5.409 -14.681 -0.938) 15.674 7.485 ( 0.124 -3.031 -6.590) 7.254 7.926 ( 7.940 -8.191 2.705) 11.724 8.366 ( 3.554 3.951 7.793) 9.432 8.967 ( 2.752 0.124 -8.868) 9.286 9.894 ( 20.655 -4.926 -4.898) 21.793 9.988 ( 2.929 1.094 3.514) 4.703 10.119 ( -8.478 0.015 6.815) 10.877 10.308 ( 13.704 -0.766 -3.765) 14.232 10.540 ( -5.195 -3.716 4.230) 7.661 10.790 ( -0.948 -2.397 -6.374) 6.875 11.394 ( 1.548 2.329 -1.333) 3.099 11.588 ( 1.331 -3.230 -8.732) 9.405 12.708 ( -1.338 2.807 -6.620) 7.314 14.032 ( -11.856 10.571 14.316) 21.384 14.201 ( -8.572 -4.331 11.017) 14.615 ======================= Grid point 168 (73/275) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 6.637 -20.787 10.265) 24.115 1.664 ( 10.741 -9.401 19.529) 24.189 2.300 ( 20.594 -3.328 24.338) 32.055 2.771 ( -8.150 6.824 12.311) 16.265 2.884 ( -5.369 1.143 5.258) 7.602 3.021 ( -9.262 0.994 -6.300) 11.246 3.264 ( -3.621 -1.460 11.911) 12.534 3.602 ( -3.065 11.777 4.002) 12.811 4.658 ( -7.186 -0.023 -1.972) 7.452 4.843 ( -6.504 4.799 -0.431) 8.094 4.926 ( 4.011 3.819 -1.875) 5.847 5.367 ( -1.068 -1.420 -14.342) 14.451 5.465 ( 8.772 -4.127 -7.117) 12.026 5.719 ( -2.561 -6.362 7.036) 9.825 6.863 ( 0.432 11.099 0.686) 11.129 7.047 ( 7.075 5.341 -7.022) 11.309 7.128 ( -1.476 -5.729 1.342) 6.066 7.416 ( -3.069 -4.629 0.128) 5.555 7.532 ( 1.843 -6.143 -4.862) 8.048 8.078 ( 1.517 -3.395 5.636) 6.752 8.424 ( 5.645 1.642 6.319) 8.631 8.996 ( 2.591 -0.307 -4.984) 5.625 9.918 ( -3.326 6.348 8.982) 11.490 10.016 ( -4.106 1.983 3.140) 5.536 10.247 ( 10.352 -9.430 -17.356) 22.301 10.532 ( -3.003 -6.022 2.218) 7.085 10.556 ( 14.256 -1.618 -1.581) 14.435 10.801 ( 4.202 -2.034 -9.524) 10.606 11.412 ( 3.587 2.516 -1.674) 4.690 11.629 ( 1.441 -4.013 -7.660) 8.767 12.614 ( -2.096 6.083 -6.850) 9.398 13.770 ( -11.470 7.936 19.071) 23.627 14.161 ( -6.298 -2.453 13.270) 14.892 ======================= Grid point 169 (74/275) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 8.917 -18.763 6.308) 21.711 1.955 ( 3.636 -15.133 18.384) 24.087 2.523 ( -8.478 9.285 10.352) 16.286 2.648 ( 1.036 -0.534 0.101) 1.170 2.779 ( -2.689 5.434 5.555) 8.223 3.011 ( 7.479 -3.947 12.122) 14.781 3.225 ( -3.577 0.727 6.283) 7.267 3.504 ( 2.723 7.608 9.881) 12.765 4.488 ( -12.284 3.404 -0.794) 12.771 4.692 ( -4.846 2.828 -3.131) 6.425 4.893 ( -3.111 2.126 0.660) 3.826 5.326 ( -0.521 -1.133 -13.968) 14.024 5.579 ( 2.900 -2.354 -3.980) 5.458 5.910 ( 11.622 -10.473 -0.479) 15.653 6.769 ( 0.116 8.000 1.188) 8.089 7.061 ( 2.829 3.691 -8.292) 9.508 7.171 ( -3.457 -8.443 2.870) 9.564 7.400 ( 0.744 2.995 -0.498) 3.126 7.621 ( 0.120 -7.718 -1.014) 7.785 8.095 ( -1.987 1.445 8.271) 8.628 8.546 ( 6.971 -2.081 2.299) 7.630 9.020 ( 1.727 0.485 -2.671) 3.217 9.793 ( -3.185 10.635 6.508) 12.869 9.926 ( -7.672 -0.682 2.438) 8.078 10.392 ( 1.732 -10.399 -16.935) 19.948 10.512 ( -5.683 -5.790 1.928) 8.338 10.776 ( 12.838 4.663 -6.921) 15.312 10.996 ( 16.942 -6.166 -4.481) 18.578 11.425 ( 2.142 2.911 -2.715) 4.520 11.673 ( 0.964 -3.810 -6.466) 7.566 12.476 ( -2.544 8.823 -7.284) 11.721 13.612 ( -6.684 4.453 20.894) 22.384 14.117 ( -6.249 -1.807 14.017) 15.453 ======================= Grid point 170 (75/275) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 5.855 -11.507 7.110) 14.739 2.131 ( -7.070 0.259 11.987) 13.920 2.370 ( -2.410 -8.798 7.861) 12.042 2.535 ( -7.335 3.339 -1.993) 8.302 2.715 ( -1.872 1.581 6.707) 7.141 3.149 ( -0.581 -0.685 11.752) 11.786 3.324 ( 10.256 -0.116 14.216) 17.530 3.568 ( 6.894 0.790 6.382) 9.428 4.184 ( -17.124 6.443 -1.678) 18.373 4.625 ( 0.782 2.229 -3.954) 4.606 4.809 ( -4.949 0.882 1.953) 5.393 5.297 ( -0.046 -0.507 -12.274) 12.285 5.630 ( 1.227 -3.863 -4.955) 6.401 6.229 ( 14.098 -9.026 -4.571) 17.353 6.703 ( -0.478 4.431 4.253) 6.161 7.018 ( -2.588 0.493 -7.283) 7.745 7.202 ( -5.138 -8.909 1.732) 10.429 7.387 ( 4.048 6.242 -0.663) 7.469 7.682 ( -2.237 -6.028 2.942) 7.070 8.059 ( -3.100 0.767 9.281) 9.815 8.663 ( 3.895 -1.024 -2.420) 4.698 9.046 ( 3.987 0.464 -2.053) 4.508 9.631 ( -4.985 10.212 6.706) 13.195 9.779 ( -11.550 -1.378 -3.815) 12.242 10.459 ( -0.859 -5.865 -3.910) 7.101 10.522 ( 0.197 -5.668 -4.731) 7.386 10.859 ( 6.792 4.381 -9.754) 12.668 11.293 ( 3.216 -4.456 1.158) 5.616 11.467 ( 16.497 3.153 -5.706) 17.738 11.698 ( -0.866 -3.240 -6.030) 6.900 12.316 ( -1.386 10.099 -7.701) 12.776 13.565 ( -2.882 0.785 21.378) 21.586 14.084 ( -4.647 -1.830 14.445) 15.284 ======================= Grid point 171 (76/275) ======================= q-point: (-0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -11.826 12.173 9.262) 19.334 2.128 ( -5.905 -7.312 3.723) 10.109 2.230 ( -5.359 7.223 11.985) 14.984 2.714 ( 5.385 -15.047 2.888) 16.241 2.740 ( 3.312 -6.507 7.243) 10.284 3.195 ( -0.743 -3.261 11.847) 12.310 3.403 ( -6.268 6.194 17.686) 19.760 3.669 ( 1.248 -2.983 4.659) 5.671 3.890 ( -5.712 3.623 -6.730) 9.542 4.627 ( 3.039 3.597 -3.391) 5.803 4.760 ( 0.537 0.105 2.007) 2.081 5.260 ( -0.743 0.899 -9.967) 10.035 5.678 ( 0.681 -5.051 -7.122) 8.758 6.467 ( 6.936 -2.531 -8.326) 11.128 6.718 ( 2.662 -3.328 9.302) 10.232 6.937 ( -5.726 -2.202 -5.655) 8.344 7.210 ( -5.484 -8.417 0.242) 10.049 7.388 ( 5.469 7.878 -0.820) 9.625 7.697 ( -3.359 -3.474 5.831) 7.573 8.043 ( -3.180 -2.695 9.710) 10.567 8.650 ( -1.694 4.262 -6.397) 7.871 9.132 ( 5.419 -0.552 -1.536) 5.660 9.460 ( -8.060 3.627 3.513) 9.511 9.597 ( -7.778 1.646 -4.112) 8.951 10.469 ( 0.268 2.486 0.488) 2.547 10.593 ( 0.331 -8.031 -6.031) 10.049 10.846 ( -0.756 2.636 -8.242) 8.686 11.254 ( -3.146 2.679 -2.501) 4.830 11.674 ( -3.756 -2.417 -6.807) 8.141 11.753 ( 15.443 2.203 -2.641) 15.822 12.223 ( 6.554 6.954 -7.937) 12.422 13.610 ( -0.512 -3.263 21.538) 21.790 14.092 ( -1.447 -1.799 14.460) 14.643 ======================= Grid point 172 (77/275) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -12.061 14.036 11.738) 21.915 1.819 ( -19.608 8.454 6.775) 22.402 2.369 ( 4.206 -7.222 13.898) 16.217 2.808 ( -1.945 -3.537 11.526) 12.213 2.938 ( -10.053 -0.357 11.604) 15.357 3.128 ( -2.161 -2.839 6.863) 7.735 3.296 ( -0.415 -3.033 8.776) 9.295 3.762 ( 0.623 -7.730 3.785) 8.630 3.862 ( 3.446 0.428 -4.251) 5.489 4.616 ( 3.239 4.309 -2.511) 5.947 4.838 ( 7.192 0.309 0.236) 7.203 5.206 ( -0.644 2.006 -7.716) 7.999 5.715 ( -0.102 -4.524 -9.445) 10.473 6.474 ( -6.245 -3.159 0.506) 7.017 6.796 ( -1.754 -1.944 -6.944) 7.422 6.944 ( 3.686 -5.858 5.658) 8.939 7.212 ( -5.205 -8.045 -0.095) 9.583 7.386 ( 5.900 8.843 -1.148) 10.693 7.688 ( -2.884 -1.374 5.983) 6.783 8.062 ( -2.890 -4.448 9.740) 11.090 8.505 ( -4.853 8.558 -6.949) 12.045 9.117 ( -7.429 0.281 -0.358) 7.443 9.355 ( -4.545 -1.965 -5.408) 7.332 9.544 ( 6.193 2.392 1.400) 6.785 10.399 ( -2.148 8.244 -1.727) 8.692 10.651 ( -1.520 -6.445 -4.138) 7.809 10.759 ( -5.263 -0.727 -3.718) 6.485 11.158 ( -1.813 6.140 -6.926) 9.431 11.599 ( -5.342 -1.748 -7.773) 9.593 11.814 ( 1.742 7.051 -2.438) 7.662 12.373 ( 15.558 -0.021 -6.944) 17.038 13.734 ( 1.902 -7.176 21.005) 22.278 14.152 ( 1.787 -1.561 13.983) 14.183 ======================= Grid point 173 (78/275) ======================= q-point: (-0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -11.004 14.351 14.725) 23.321 1.412 ( -23.446 6.029 10.020) 26.200 2.353 ( -20.791 8.652 24.976) 33.629 2.693 ( 1.792 -4.621 19.877) 20.486 2.978 ( 1.952 -7.094 9.928) 12.357 3.237 ( 2.732 -0.969 2.873) 4.082 3.332 ( -1.166 -0.950 2.823) 3.199 3.841 ( -4.534 -12.895 3.040) 14.003 3.959 ( 9.356 0.935 -2.114) 9.637 4.653 ( 7.837 3.883 -2.577) 9.118 4.945 ( 5.868 -0.023 -1.126) 5.975 5.170 ( 1.566 2.096 -5.376) 5.979 5.709 ( -1.572 -1.853 -11.283) 11.542 6.358 ( -15.478 -7.210 4.720) 17.715 6.803 ( 2.526 -4.971 -6.735) 8.744 7.062 ( 1.215 -3.454 3.919) 5.363 7.209 ( -5.728 -7.223 1.949) 9.422 7.387 ( 6.495 8.899 -1.838) 11.170 7.665 ( -1.599 1.434 3.685) 4.265 8.066 ( -2.036 3.643 2.326) 4.777 8.307 ( -7.107 4.074 -0.791) 8.230 8.996 ( -7.019 -3.267 -2.897) 8.266 9.286 ( -1.753 3.113 -0.772) 3.655 9.692 ( 11.300 0.273 -0.645) 11.322 10.228 ( -5.015 9.631 -2.548) 11.154 10.646 ( -5.643 -4.330 -4.024) 8.173 10.700 ( -3.606 -2.280 -0.465) 4.292 11.004 ( -4.446 9.315 -8.102) 13.122 11.522 ( -4.504 -3.103 -6.375) 8.400 11.724 ( -1.508 7.096 -3.491) 8.051 12.588 ( 10.922 -1.774 -6.689) 12.930 13.924 ( 3.149 -8.955 18.016) 20.364 14.260 ( 4.671 -2.623 12.089) 13.223 ======================= Grid point 174 (79/275) ======================= q-point: (-0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -9.394 11.278 18.819) 23.866 1.029 ( -19.733 2.493 15.492) 25.212 1.988 ( -18.137 8.441 36.666) 41.769 2.897 ( 3.187 -8.214 15.687) 17.992 3.097 ( -0.415 -5.088 9.216) 10.535 3.242 ( -2.946 1.426 8.922) 9.503 3.312 ( 2.969 3.085 -0.375) 4.298 3.905 ( -3.733 -8.675 0.657) 9.467 4.117 ( 12.593 0.618 0.495) 12.618 4.759 ( 8.840 2.001 -1.951) 9.271 5.019 ( 3.069 -1.393 -2.211) 4.031 5.183 ( 3.859 1.853 -3.762) 5.699 5.643 ( -3.440 0.436 -12.229) 12.711 6.182 ( -15.883 -5.843 4.959) 17.635 6.954 ( 4.212 -13.798 -4.844) 15.218 7.076 ( -3.337 -2.514 1.208) 4.349 7.190 ( -6.200 -6.256 4.560) 9.918 7.395 ( 5.909 7.078 -3.709) 9.939 7.630 ( 2.856 7.735 2.026) 8.491 7.816 ( -10.951 17.739 -11.551) 23.833 8.275 ( -1.907 -5.761 7.618) 9.740 8.960 ( -0.715 -2.704 -4.914) 5.655 9.258 ( 4.719 5.339 9.012) 11.489 9.855 ( 9.408 2.079 -0.263) 9.639 10.080 ( -0.944 4.017 -3.035) 5.122 10.512 ( -13.520 -1.135 -2.060) 13.722 10.669 ( -4.057 -1.669 2.102) 4.865 10.832 ( -1.641 6.848 -3.525) 7.875 11.480 ( -4.440 -3.957 -3.339) 6.820 11.618 ( -0.693 5.571 -6.613) 8.675 12.715 ( 4.826 -1.599 -6.694) 8.405 14.078 ( 0.562 -5.173 14.654) 15.551 14.404 ( 2.787 -4.872 4.340) 7.095 ======================= Grid point 176 (80/275) ======================= q-point: ( 0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 6.208 -0.000 17.281) 18.362 1.560 ( 9.141 -0.000 21.559) 23.417 2.275 ( 26.443 -0.000 24.190) 35.838 2.841 ( -7.978 0.000 -0.811) 8.019 2.895 ( -6.581 0.000 21.560) 22.542 3.046 ( -11.586 0.000 -10.505) 15.639 3.242 ( -3.550 0.000 13.690) 14.143 3.740 ( -3.914 0.000 0.572) 3.955 4.654 ( -6.626 0.000 -0.403) 6.638 4.907 ( -8.400 0.000 -1.642) 8.559 4.981 ( 3.700 -0.000 -3.637) 5.188 5.347 ( -1.561 0.000 -16.086) 16.161 5.402 ( 12.999 -0.000 -8.100) 15.316 5.650 ( -6.833 0.000 10.449) 12.484 7.052 ( -3.053 0.000 3.401) 4.571 7.099 ( 3.148 -0.000 -9.834) 10.326 7.107 ( -5.621 0.000 2.519) 6.160 7.225 ( 5.051 -0.000 -0.383) 5.066 7.488 ( 3.643 -0.000 -7.351) 8.204 8.033 ( 7.460 -0.000 5.180) 9.082 8.461 ( 3.155 -0.000 7.559) 8.191 8.994 ( 3.061 -0.000 -5.352) 6.166 10.001 ( -1.839 0.000 4.295) 4.672 10.039 ( 1.938 -0.000 2.271) 2.985 10.130 ( 4.443 -0.000 -8.909) 9.956 10.418 ( -6.102 0.000 4.528) 7.598 10.558 ( 17.441 -0.000 -1.949) 17.549 10.785 ( 4.973 -0.000 -9.447) 10.676 11.447 ( 2.664 -0.000 1.414) 3.016 11.576 ( 2.528 -0.000 -10.976) 11.264 12.680 ( -1.765 0.000 -7.706) 7.906 13.902 ( -13.911 0.000 15.511) 20.835 14.101 ( -5.949 0.000 15.255) 16.374 ======================= Grid point 177 (81/275) ======================= q-point: ( 0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 10.752 -13.022 11.344) 20.344 1.743 ( 4.299 -4.706 20.545) 21.511 2.649 ( -2.453 2.387 4.135) 5.368 2.689 ( -8.787 2.803 3.242) 9.777 2.875 ( 8.805 2.334 10.525) 13.920 2.930 ( 3.672 -2.121 10.367) 11.201 3.202 ( -5.802 -1.469 7.814) 9.843 3.674 ( -0.733 5.285 4.667) 7.088 4.549 ( -6.157 1.771 0.365) 6.417 4.731 ( -10.744 0.881 -0.831) 10.812 4.930 ( -5.695 1.100 -3.110) 6.581 5.303 ( 0.629 -0.785 -16.874) 16.904 5.546 ( 2.009 -0.799 -2.326) 3.175 5.732 ( 13.533 -4.883 0.005) 14.387 6.946 ( -4.742 6.908 4.483) 9.503 7.019 ( -5.926 -3.145 -0.624) 6.737 7.113 ( 1.754 0.582 -8.744) 8.937 7.342 ( 0.997 -7.247 1.792) 7.531 7.538 ( 4.097 0.077 -5.418) 6.793 8.143 ( 4.481 2.005 6.126) 7.850 8.529 ( 3.852 0.013 5.789) 6.954 9.035 ( 3.461 0.538 -2.336) 4.210 9.940 ( -5.214 2.584 -0.510) 5.841 10.009 ( -2.897 7.422 5.001) 9.407 10.170 ( 0.693 -8.398 -9.208) 12.482 10.367 ( -5.116 -6.199 2.926) 8.553 10.851 ( 14.105 2.543 -6.807) 15.867 10.903 ( 15.770 -2.846 -5.443) 16.924 11.471 ( 0.746 1.246 1.977) 2.453 11.607 ( 3.317 -1.941 -11.145) 11.789 12.606 ( -2.684 3.071 -8.269) 9.221 13.741 ( -7.147 5.715 18.174) 20.348 14.049 ( -8.127 -3.586 15.605) 17.957 ======================= Grid point 178 (82/275) ======================= q-point: ( 0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 11.992 -16.762 5.938) 21.449 1.920 ( 2.459 -9.070 17.123) 19.532 2.422 ( -12.735 5.126 4.163) 14.345 2.562 ( -7.000 0.192 -0.129) 7.004 2.816 ( -5.032 5.848 8.311) 11.340 3.116 ( -4.603 -2.193 8.852) 10.215 3.316 ( 16.807 -0.852 10.694) 19.939 3.657 ( 4.206 5.422 7.304) 10.022 4.343 ( -13.209 8.235 0.476) 15.573 4.625 ( -2.368 -2.439 -1.783) 3.839 4.809 ( -7.286 -0.662 -1.248) 7.422 5.284 ( 1.449 -0.466 -15.307) 15.382 5.567 ( 0.409 -1.989 -2.656) 3.343 6.044 ( 16.260 -6.797 -3.900) 18.050 6.819 ( -4.080 5.635 4.572) 8.325 6.940 ( -10.171 -6.737 -1.339) 12.273 7.112 ( 1.740 0.502 -8.059) 8.260 7.407 ( -2.693 -6.478 3.087) 7.665 7.579 ( 2.163 -0.132 -1.690) 2.748 8.159 ( 1.550 6.570 7.093) 9.792 8.625 ( 4.868 -2.104 1.373) 5.478 9.081 ( 4.812 2.037 -1.223) 5.367 9.760 ( -12.155 1.431 -6.073) 13.662 9.874 ( -4.151 9.799 6.888) 12.677 10.272 ( 2.484 -8.832 -4.742) 10.328 10.395 ( -1.445 -7.124 0.622) 7.296 10.938 ( 6.161 2.808 -11.345) 13.211 11.213 ( 12.395 -2.380 0.181) 12.622 11.489 ( 3.041 -1.384 2.388) 4.106 11.661 ( 6.657 -0.012 -12.238) 13.932 12.489 ( -2.902 5.602 -8.108) 10.273 13.647 ( -3.195 6.166 19.934) 21.109 14.009 ( -7.281 -4.971 15.396) 17.741 ======================= Grid point 179 (83/275) ======================= q-point: (-0.56 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 5.130 -9.783 5.139) 12.184 2.062 ( -5.880 0.400 9.663) 11.318 2.267 ( -0.593 -8.003 10.567) 13.269 2.457 ( -4.612 1.975 1.613) 5.270 2.685 ( -5.926 1.136 4.854) 7.744 3.118 ( -2.745 -4.436 11.521) 12.647 3.522 ( 6.421 3.196 11.005) 13.136 3.702 ( 2.669 5.151 7.153) 9.210 4.012 ( -12.940 8.224 -3.445) 15.715 4.647 ( 0.393 -2.055 -2.102) 2.966 4.738 ( -1.032 -1.836 0.554) 2.178 5.270 ( 1.132 0.301 -12.419) 12.474 5.589 ( 0.440 -2.786 -4.639) 5.429 6.348 ( 12.601 -6.900 -6.431) 15.740 6.721 ( -4.242 2.758 7.668) 9.186 6.836 ( -11.141 -7.823 -2.414) 13.826 7.116 ( 1.541 -0.017 -6.700) 6.875 7.424 ( -4.134 -6.233 3.178) 8.127 7.604 ( 0.020 -1.381 1.837) 2.298 8.116 ( 1.079 7.867 7.242) 10.747 8.702 ( 2.831 0.406 -3.081) 4.203 9.150 ( 6.761 2.125 -1.329) 7.210 9.512 ( -13.739 1.818 -5.484) 14.904 9.720 ( -4.186 8.348 6.085) 11.146 10.394 ( 1.434 -8.991 -3.789) 9.862 10.460 ( 1.786 -3.873 0.084) 4.266 10.922 ( -0.819 3.905 -8.797) 9.660 11.281 ( -0.395 0.715 -3.179) 3.282 11.569 ( -2.714 -6.199 -2.428) 7.190 11.827 ( 18.259 3.268 -7.141) 19.877 12.371 ( -0.134 6.075 -7.824) 9.907 13.610 ( -1.880 3.204 21.609) 21.926 14.015 ( -3.590 -5.171 14.779) 16.064 ======================= Grid point 180 (84/275) ======================= q-point: (-0.44 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -12.735 10.461 10.478) 19.530 1.948 ( -9.463 2.950 4.775) 11.002 2.308 ( 1.955 3.411 12.399) 13.007 2.634 ( 6.530 -18.752 3.913) 20.238 2.682 ( -1.015 -9.777 4.421) 10.778 3.155 ( -3.540 -2.163 13.746) 14.358 3.410 ( -11.194 15.524 13.842) 23.620 3.661 ( -1.882 -1.530 2.534) 3.507 3.893 ( 3.870 1.498 -4.172) 5.884 4.650 ( 0.063 -1.667 -1.568) 2.290 4.819 ( 5.839 -1.849 -0.082) 6.125 5.245 ( 0.754 1.610 -9.423) 9.589 5.617 ( 0.464 -3.610 -6.365) 7.332 6.458 ( -3.740 0.238 -4.639) 5.964 6.683 ( -7.086 -8.064 -0.047) 10.736 6.807 ( 1.546 -6.155 4.338) 7.687 7.123 ( 0.723 -0.343 -4.303) 4.377 7.441 ( -2.436 -6.026 2.428) 6.938 7.622 ( -0.758 -1.753 3.297) 3.810 8.076 ( 1.208 6.487 7.141) 9.723 8.684 ( 1.151 6.386 -5.740) 8.664 9.154 ( -7.904 3.122 -3.259) 9.102 9.337 ( 0.081 0.549 -2.004) 2.080 9.628 ( 1.443 5.222 4.262) 6.893 10.464 ( -2.961 -7.466 -4.342) 9.130 10.533 ( 4.199 0.285 0.579) 4.248 10.790 ( -6.834 3.715 -5.403) 9.471 11.243 ( -0.388 2.150 -7.850) 8.148 11.534 ( -5.982 -4.254 -7.063) 10.187 11.974 ( 5.514 6.976 -2.236) 9.169 12.378 ( 9.105 0.548 -7.896) 12.064 13.643 ( 0.146 -1.138 22.348) 22.378 14.078 ( -0.355 -4.900 14.040) 14.875 ======================= Grid point 181 (85/275) ======================= q-point: (-0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -18.170 8.879 11.170) 23.103 1.648 ( -12.061 16.384 9.442) 22.429 2.424 ( 4.229 -2.953 14.121) 15.033 2.768 ( -4.554 0.341 15.013) 15.693 2.805 ( -6.886 -1.501 9.258) 11.636 3.104 ( 3.263 -8.868 3.444) 10.057 3.285 ( -1.172 -1.160 9.856) 9.993 3.633 ( -6.614 -4.921 3.374) 8.908 3.985 ( 9.282 1.308 -1.722) 9.531 4.699 ( 5.112 -0.416 -1.719) 5.410 4.920 ( 3.618 -2.281 -1.629) 4.577 5.221 ( 2.264 2.472 -7.153) 7.900 5.640 ( -0.439 -3.594 -7.455) 8.287 6.296 ( -12.508 0.826 1.513) 12.626 6.658 ( -5.364 -9.139 -5.760) 12.061 6.935 ( 0.254 -7.016 3.854) 8.008 7.124 ( -0.317 -0.974 0.313) 1.071 7.496 ( 2.601 -2.684 0.659) 3.796 7.636 ( -0.562 -1.525 2.579) 3.048 8.056 ( 0.264 3.128 7.277) 7.926 8.572 ( -0.454 13.257 -4.806) 14.108 8.955 ( -8.063 0.359 -6.396) 10.298 9.358 ( 2.920 3.399 1.919) 4.875 9.702 ( 10.024 0.949 0.554) 10.084 10.406 ( -7.307 2.330 -2.665) 8.119 10.561 ( -0.982 0.388 -2.229) 2.466 10.666 ( -3.517 -1.220 -2.321) 4.387 11.164 ( -2.061 4.956 -11.055) 12.289 11.455 ( -5.851 -3.437 -7.049) 9.785 11.898 ( -1.374 8.748 -2.120) 9.105 12.532 ( 8.043 -3.382 -6.649) 10.970 13.757 ( 1.932 -5.327 21.185) 21.930 14.175 ( 0.980 -5.022 12.969) 13.942 ======================= Grid point 182 (86/275) ======================= q-point: (-0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -18.247 7.485 14.543) 24.504 1.339 ( -5.714 20.000 13.488) 24.791 2.318 ( -12.357 20.374 26.980) 35.996 2.692 ( 0.211 -8.441 17.978) 19.862 2.929 ( 1.126 -9.453 5.082) 10.791 3.257 ( -0.108 -2.575 7.609) 8.033 3.329 ( 1.470 -2.698 1.195) 3.297 3.624 ( -5.940 -13.257 4.159) 15.111 4.141 ( 12.475 1.520 0.771) 12.591 4.798 ( 6.923 0.490 -2.490) 7.373 4.973 ( 0.656 -2.719 -2.941) 4.059 5.235 ( 4.694 2.575 -5.520) 7.690 5.628 ( -2.545 -2.132 -8.244) 8.887 6.087 ( -13.253 -0.651 3.551) 13.736 6.692 ( -1.718 -10.938 -4.780) 12.060 6.957 ( -6.173 -7.041 0.332) 9.370 7.142 ( 0.221 -0.014 4.110) 4.116 7.540 ( 3.064 4.492 -1.730) 5.707 7.658 ( -0.030 -1.792 1.357) 2.248 8.058 ( -0.848 -1.085 5.872) 6.032 8.369 ( -2.136 16.985 -2.360) 17.280 8.895 ( 1.680 -1.711 -10.109) 10.389 9.398 ( 8.798 6.162 4.280) 11.563 9.884 ( 12.170 0.279 -1.242) 12.237 10.216 ( -8.008 5.887 -0.362) 9.946 10.475 ( -9.055 -1.317 -4.965) 10.411 10.650 ( -0.496 0.283 0.542) 0.787 11.019 ( -2.571 8.445 -8.895) 12.532 11.395 ( -4.140 -3.800 -5.772) 8.056 11.767 ( -2.217 7.978 -3.509) 8.993 12.647 ( 2.936 -4.637 -5.916) 8.070 13.906 ( -0.169 -8.503 18.308) 20.187 14.277 ( -0.103 -5.892 10.578) 12.109 ======================= Grid point 183 (87/275) ======================= q-point: (-0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 5.440 6.303 19.873) 21.547 1.105 ( -1.367 19.025 15.499) 24.577 2.013 ( -8.785 16.342 35.845) 40.362 2.836 ( -2.070 -9.394 16.597) 19.183 3.012 ( -2.725 -5.403 0.651) 6.086 3.257 ( -2.856 0.978 14.257) 14.573 3.334 ( -2.658 -1.102 -1.691) 3.337 3.722 ( -3.673 -14.279 0.449) 14.750 4.388 ( 18.812 -0.408 2.473) 18.978 4.861 ( 1.628 0.931 -2.070) 2.793 4.993 ( -1.281 -3.842 -3.532) 5.374 5.272 ( 4.950 3.015 -5.181) 7.774 5.558 ( -3.935 0.636 -10.417) 11.154 5.923 ( -10.991 -2.661 6.652) 13.120 6.813 ( 1.535 -13.425 -2.725) 13.785 6.945 ( -3.294 -7.490 -2.171) 8.465 7.131 ( -1.151 2.427 3.619) 4.507 7.504 ( 1.657 6.687 -4.010) 7.971 7.626 ( -5.950 1.396 -1.216) 6.232 7.999 ( 1.527 17.350 -2.431) 17.586 8.252 ( 1.894 -0.911 6.987) 7.296 8.938 ( 3.564 -1.385 -11.039) 11.683 9.578 ( 21.632 7.152 3.186) 23.006 10.000 ( 0.241 4.205 2.879) 5.102 10.130 ( 7.066 -0.265 -1.603) 7.251 10.289 ( -11.661 0.780 -1.046) 11.734 10.623 ( -2.139 2.124 2.372) 3.836 10.881 ( -1.291 7.663 -5.341) 9.429 11.372 ( -2.096 -3.850 -4.072) 5.983 11.653 ( -0.705 6.038 -5.987) 8.532 12.699 ( -0.256 -4.449 -5.887) 7.384 14.011 ( -4.978 -9.823 15.826) 19.280 14.315 ( -6.204 -3.972 7.589) 10.576 ======================= Grid point 186 (88/275) ======================= q-point: ( 0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 14.209 -0.000 9.206) 16.930 1.827 ( 2.702 -0.000 16.374) 16.596 2.477 ( -11.731 0.000 -1.736) 11.859 2.567 ( -9.054 0.000 4.946) 10.317 2.896 ( -2.794 0.000 13.267) 13.558 3.081 ( -9.412 0.000 4.194) 10.304 3.303 ( 20.859 -0.000 11.272) 23.710 3.724 ( 2.160 -0.000 5.356) 5.775 4.513 ( -1.209 0.000 1.074) 1.617 4.522 ( -13.676 0.000 -0.348) 13.680 4.799 ( -8.586 0.000 -2.995) 9.093 5.280 ( 2.273 -0.000 -16.636) 16.790 5.545 ( 0.455 -0.000 -1.555) 1.620 5.970 ( 17.479 -0.000 -4.504) 18.050 6.849 ( -10.268 0.000 -1.338) 10.355 6.903 ( -7.316 0.000 5.273) 9.018 7.126 ( 2.377 -0.000 -8.729) 9.047 7.298 ( -2.862 0.000 4.413) 5.260 7.588 ( 2.656 -0.000 -3.814) 4.648 8.248 ( 3.966 -0.000 4.829) 6.249 8.595 ( 3.792 -0.000 3.949) 5.475 9.107 ( 5.389 -0.000 -0.215) 5.393 9.786 ( -11.620 0.000 -11.488) 16.340 10.005 ( -6.563 0.000 7.777) 10.176 10.181 ( 6.522 -0.000 1.792) 6.763 10.269 ( -2.237 0.000 -0.495) 2.291 10.970 ( 6.228 -0.000 -12.108) 13.616 11.190 ( 15.643 -0.000 -0.321) 15.647 11.462 ( -3.139 0.000 4.425) 5.425 11.666 ( 10.362 -0.000 -13.456) 16.983 12.549 ( -3.443 0.000 -7.759) 8.489 13.755 ( -1.472 0.000 16.477) 16.542 13.919 ( -10.289 0.000 17.935) 20.677 ======================= Grid point 187 (89/275) ======================= q-point: ( 0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 14.182 -8.317 5.485) 17.332 1.908 ( -0.161 -4.762 11.708) 12.641 2.310 ( -7.299 3.885 4.669) 9.496 2.455 ( -6.729 -1.829 6.992) 9.875 2.815 ( -7.370 8.753 6.777) 13.299 2.994 ( -5.507 -7.196 9.375) 13.038 3.559 ( 8.103 0.806 6.875) 10.657 3.787 ( 5.199 1.843 4.883) 7.366 4.237 ( -12.555 10.677 -0.805) 16.501 4.539 ( -3.964 -7.049 -1.426) 8.212 4.703 ( -1.075 -1.027 0.329) 1.523 5.277 ( 2.436 0.235 -14.004) 14.216 5.556 ( 1.290 -0.602 -3.756) 4.017 6.237 ( 14.828 -2.722 -5.423) 16.022 6.672 ( -13.928 -4.884 -1.998) 14.894 6.797 ( -5.444 2.673 5.661) 8.297 7.140 ( 2.418 0.934 -7.043) 7.505 7.270 ( -5.434 -5.046 6.250) 9.698 7.598 ( -0.355 -0.136 -1.362) 1.415 8.278 ( 2.058 5.131 4.005) 6.826 8.686 ( 5.355 -1.130 0.384) 5.487 9.200 ( 6.973 1.746 0.275) 7.193 9.551 ( -12.118 1.465 -10.379) 16.022 9.876 ( -7.878 4.436 8.975) 12.739 10.251 ( 1.113 -2.482 -2.231) 3.518 10.347 ( 5.638 -5.518 1.090) 7.964 10.990 ( 0.652 1.971 -9.266) 9.496 11.309 ( 1.690 1.935 -4.828) 5.469 11.441 ( -2.928 -4.825 0.056) 5.644 11.873 ( 17.911 1.048 -8.271) 19.757 12.463 ( -2.911 2.278 -6.761) 7.706 13.726 ( -3.375 6.916 19.057) 20.552 13.881 ( -4.326 -7.067 16.308) 18.293 ======================= Grid point 188 (90/275) ======================= q-point: (-0.56 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -2.981 -1.701 5.282) 6.299 2.047 ( 2.489 -1.168 8.277) 8.721 2.226 ( 1.695 -7.599 10.471) 13.048 2.445 ( -0.894 -1.479 9.370) 9.528 2.579 ( -11.460 4.481 3.985) 12.934 3.056 ( -0.690 -6.277 11.622) 13.227 3.616 ( -0.894 0.834 4.425) 4.591 3.830 ( -1.729 14.769 9.329) 17.554 3.927 ( -3.554 4.179 -6.863) 8.786 4.540 ( -3.523 -8.383 -2.211) 9.359 4.773 ( 4.743 -2.074 1.459) 5.379 5.274 ( 2.087 1.022 -10.419) 10.675 5.575 ( 1.695 -0.555 -5.654) 5.929 6.437 ( 6.401 -2.162 -7.121) 9.816 6.499 ( -15.329 -7.914 -0.864) 17.273 6.731 ( -1.505 -0.495 6.372) 6.566 7.133 ( -2.017 -0.494 0.075) 2.078 7.287 ( 0.170 -4.800 1.827) 5.139 7.588 ( -1.426 -1.804 0.477) 2.348 8.246 ( 1.450 7.265 3.155) 8.052 8.768 ( 5.100 1.861 -2.499) 5.976 9.236 ( -4.312 4.077 -6.219) 8.596 9.371 ( 0.361 2.000 -0.210) 2.043 9.744 ( -3.828 4.583 6.933) 9.150 10.293 ( -1.532 -6.430 -2.795) 7.176 10.497 ( 6.360 -3.347 0.095) 7.187 10.893 ( -5.494 4.728 -5.412) 9.045 11.272 ( -0.716 0.949 -8.832) 8.912 11.428 ( -4.741 -5.045 -5.844) 9.060 12.087 ( 10.320 3.328 -2.970) 11.243 12.396 ( 0.651 1.019 -6.643) 6.752 13.672 ( -2.173 3.176 20.876) 21.228 13.961 ( -0.163 -5.523 14.732) 15.734 ======================= Grid point 189 (91/275) ======================= q-point: (-0.44 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -15.135 8.400 8.441) 19.258 1.976 ( -4.260 11.977 13.223) 18.343 2.388 ( -1.448 1.453 10.250) 10.453 2.544 ( 7.342 -19.912 3.985) 21.593 2.568 ( -0.272 -10.106 7.338) 12.492 3.137 ( -0.249 -1.983 12.998) 13.150 3.460 ( -9.891 19.752 8.625) 23.714 3.583 ( -6.452 -0.121 -0.115) 6.455 4.009 ( 9.437 0.820 -1.157) 9.543 4.615 ( 2.587 -7.510 -1.454) 8.075 4.864 ( 2.841 -2.567 -0.290) 3.840 5.270 ( 2.595 1.865 -7.649) 8.289 5.589 ( 0.910 -0.967 -6.864) 6.991 6.314 ( -13.612 -2.516 0.455) 13.850 6.464 ( -4.021 -5.378 -6.472) 9.327 6.791 ( -0.435 -6.056 3.710) 7.115 7.109 ( -2.205 -1.819 6.107) 6.743 7.378 ( 4.588 -3.692 -0.890) 5.955 7.605 ( 0.204 -2.783 1.069) 2.988 8.192 ( 0.772 7.416 2.060) 7.735 8.788 ( 3.188 6.682 -2.294) 7.751 9.022 ( -8.419 5.405 -6.598) 11.984 9.431 ( 5.681 3.323 3.758) 7.578 9.734 ( 5.705 1.542 2.178) 6.298 10.305 ( -5.476 -6.663 -2.359) 8.941 10.613 ( 4.559 -1.455 -1.015) 4.892 10.710 ( -6.611 6.844 -3.926) 10.293 11.217 ( -2.201 0.209 -12.171) 12.370 11.374 ( -5.016 -3.683 -7.225) 9.535 12.079 ( -1.091 7.695 -1.071) 7.845 12.450 ( 3.784 -4.086 -5.345) 7.719 13.704 ( 0.874 -0.066 20.134) 20.153 14.061 ( 0.493 -5.149 13.849) 14.783 ======================= Grid point 190 (92/275) ======================= q-point: (-0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -14.003 12.049 12.659) 22.394 1.762 ( -4.590 18.471 14.359) 23.842 2.470 ( 2.307 -6.402 10.575) 12.575 2.710 ( 0.349 -9.681 9.511) 13.575 2.782 ( -1.514 0.844 9.619) 9.774 3.077 ( -1.423 2.448 5.838) 6.489 3.279 ( -2.403 -0.999 13.287) 13.539 3.482 ( -7.928 -2.156 0.441) 8.228 4.174 ( 12.450 1.265 0.702) 12.534 4.748 ( 4.698 -5.261 -1.762) 7.270 4.918 ( 1.136 -2.294 -1.939) 3.212 5.287 ( 4.679 2.076 -6.659) 8.399 5.580 ( -1.630 -1.669 -6.787) 7.177 6.117 ( -11.215 1.451 0.786) 11.336 6.462 ( -3.069 -9.623 -5.380) 11.444 6.802 ( -6.917 -6.915 1.047) 9.836 7.149 ( 2.490 -0.311 7.063) 7.495 7.495 ( 3.691 -5.040 1.506) 6.426 7.649 ( 2.152 -0.522 0.001) 2.214 8.122 ( -0.790 6.409 1.500) 6.629 8.663 ( -5.674 10.283 1.871) 11.893 8.924 ( 4.664 4.011 -10.317) 12.012 9.508 ( 8.908 4.226 4.534) 10.852 9.879 ( 11.262 -0.629 -0.885) 11.314 10.229 ( -10.135 -3.715 -1.187) 10.860 10.512 ( -8.077 3.778 -4.937) 10.193 10.687 ( 4.661 3.162 -0.691) 5.675 11.135 ( -2.021 1.784 -12.577) 12.863 11.318 ( -3.956 -3.166 -7.214) 8.815 11.946 ( -3.341 8.323 -1.726) 9.133 12.526 ( -0.012 -6.265 -3.633) 7.242 13.783 ( -0.350 -2.765 18.552) 18.760 14.157 ( -0.289 -5.308 12.844) 13.901 ======================= Grid point 191 (93/275) ======================= q-point: (-0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 5.631 11.112 16.982) 21.061 1.543 ( -1.027 20.115 13.408) 24.196 2.479 ( -6.768 23.412 20.409) 31.788 2.634 ( -1.872 -8.070 16.628) 18.577 2.860 ( 0.763 -7.841 4.985) 9.323 3.190 ( -1.203 -9.693 -1.440) 9.873 3.320 ( -0.566 -2.731 11.399) 11.735 3.395 ( -8.339 -8.990 3.954) 12.884 4.391 ( 14.994 0.363 3.071) 15.310 4.836 ( 0.850 -3.605 -3.502) 5.097 4.935 ( -1.418 -1.320 -2.155) 2.898 5.336 ( 6.291 2.643 -6.912) 9.713 5.540 ( -3.073 -1.707 -6.437) 7.334 5.942 ( -7.257 3.207 1.493) 8.073 6.560 ( 2.654 -11.427 -3.789) 12.328 6.771 ( -5.578 -8.050 -0.774) 9.824 7.194 ( 2.345 2.870 4.315) 5.688 7.581 ( 0.226 -1.654 1.938) 2.558 7.664 ( 0.819 2.832 -0.483) 2.987 8.061 ( -0.467 1.538 3.386) 3.748 8.474 ( -3.574 11.107 1.247) 11.734 8.951 ( 5.749 3.145 -9.893) 11.867 9.683 ( 16.145 2.484 2.342) 16.502 10.045 ( 0.431 -0.605 -0.390) 0.839 10.111 ( 1.079 -1.333 0.580) 1.810 10.334 ( -6.576 3.316 -6.489) 9.816 10.700 ( 2.438 4.889 0.091) 5.464 11.045 ( -0.941 5.899 -11.523) 12.979 11.286 ( -1.864 -4.067 -6.084) 7.552 11.801 ( -2.789 7.498 -3.281) 8.647 12.567 ( -2.589 -7.425 -3.227) 8.500 13.832 ( -5.376 -5.398 17.798) 19.360 14.224 ( -2.478 -4.536 11.720) 12.809 ======================= Grid point 192 (94/275) ======================= q-point: (-0.11 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 9.997 15.931 11.860) 22.235 1.424 ( 16.638 12.573 15.146) 25.774 2.210 ( -2.191 19.124 29.793) 35.471 2.739 ( -3.601 -8.860 15.703) 18.386 2.919 ( -2.935 -4.336 1.990) 5.602 3.161 ( -8.061 -2.969 -3.192) 9.164 3.300 ( -2.989 1.595 10.908) 11.422 3.493 ( -3.833 -16.816 4.650) 17.863 4.647 ( 11.753 -2.866 1.161) 12.153 4.834 ( -2.612 -0.436 -0.907) 2.799 4.896 ( -4.170 -3.933 -3.286) 6.607 5.381 ( 5.921 3.840 -8.458) 11.015 5.480 ( -2.609 0.504 -8.284) 8.700 5.822 ( -4.540 4.049 4.869) 7.792 6.729 ( 2.623 -9.727 -0.705) 10.099 6.847 ( 5.212 -10.520 -4.918) 12.729 7.185 ( 0.985 5.311 2.710) 6.043 7.533 ( -5.412 1.832 -0.992) 5.799 7.604 ( 0.483 7.701 -2.418) 8.086 8.095 ( 0.580 0.223 5.748) 5.782 8.346 ( 2.203 7.221 3.228) 8.211 8.977 ( 3.492 1.598 -7.620) 8.533 9.895 ( -1.644 -6.493 7.772) 10.260 10.011 ( 8.356 4.407 -2.953) 9.898 10.170 ( 2.389 2.442 -3.844) 5.143 10.325 ( 12.382 1.206 -6.232) 13.914 10.662 ( 0.165 6.755 1.351) 6.890 10.895 ( -4.393 6.796 -10.865) 13.548 11.327 ( 3.037 -3.548 -3.737) 5.982 11.690 ( -0.595 5.668 -5.442) 7.880 12.592 ( -2.821 -7.605 -4.396) 9.226 13.820 ( -10.506 -7.578 18.344) 22.457 14.227 ( -4.950 -1.285 11.657) 12.729 ======================= Grid point 196 (95/275) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -1.560 0.000 8.809) 8.946 1.891 ( 14.219 -0.000 3.956) 14.758 2.294 ( -1.642 0.000 7.140) 7.326 2.332 ( -9.194 0.000 12.098) 15.195 2.715 ( -14.175 0.000 8.569) 16.564 2.946 ( 2.503 -0.000 9.795) 10.110 3.622 ( -1.500 0.000 2.901) 3.266 3.900 ( 6.504 -0.000 -0.358) 6.514 4.163 ( -5.174 0.000 1.130) 5.296 4.357 ( -8.913 0.000 -3.035) 9.416 4.748 ( 4.489 -0.000 2.496) 5.136 5.285 ( 2.413 -0.000 -10.735) 11.003 5.573 ( 2.413 -0.000 -5.420) 5.933 6.398 ( -15.412 0.000 -2.102) 15.554 6.410 ( 9.428 -0.000 -6.073) 11.215 6.739 ( -4.993 0.000 4.904) 6.999 7.107 ( -6.371 0.000 8.167) 10.358 7.253 ( 5.792 -0.000 -3.527) 6.782 7.564 ( -2.576 0.000 -1.072) 2.790 8.331 ( 0.294 -0.000 1.896) 1.919 8.784 ( 6.959 -0.000 -0.803) 7.005 9.291 ( -2.008 0.000 -8.096) 8.341 9.397 ( -0.011 0.000 0.073) 0.074 9.791 ( -7.362 0.000 9.377) 11.922 10.228 ( -0.675 0.000 -3.073) 3.146 10.445 ( 7.998 -0.000 0.318) 8.004 10.951 ( -4.346 0.000 -5.419) 6.946 11.289 ( -3.346 0.000 -10.693) 11.205 11.358 ( -2.129 0.000 -3.806) 4.361 12.121 ( 12.604 -0.000 -3.600) 13.108 12.410 ( -3.058 0.000 -5.544) 6.332 13.728 ( -5.720 0.000 19.705) 20.519 13.882 ( 2.601 -0.000 15.234) 15.455 ======================= Grid point 197 (96/275) ======================= q-point: (-0.56 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -3.060 6.535 8.500) 11.150 2.129 ( 2.541 1.791 8.706) 9.244 2.194 ( 0.517 -8.345 6.686) 10.706 2.345 ( -5.029 -7.364 6.898) 11.274 2.515 ( -7.450 5.043 17.483) 19.662 3.052 ( 3.489 -3.692 9.806) 11.043 3.560 ( -5.991 -0.191 -0.002) 5.994 3.903 ( -4.826 12.460 -6.880) 15.029 4.058 ( 7.259 8.471 4.696) 12.104 4.378 ( 0.341 -14.469 -0.100) 14.474 4.822 ( 2.980 -1.081 1.279) 3.418 5.295 ( 2.162 0.495 -7.080) 7.420 5.592 ( 1.950 0.655 -7.090) 7.382 6.181 ( -13.767 -5.148 -1.699) 14.796 6.464 ( -0.792 1.601 -6.291) 6.540 6.691 ( -3.526 -2.838 4.213) 6.184 7.055 ( -3.877 -1.942 12.883) 13.594 7.364 ( 8.571 0.888 -4.412) 9.680 7.536 ( -1.201 -2.535 -1.446) 3.156 8.314 ( -0.232 3.197 0.366) 3.226 8.873 ( 4.592 1.729 -0.312) 4.917 9.139 ( -6.615 4.010 -8.763) 11.689 9.492 ( 6.879 1.925 5.666) 9.117 9.739 ( -0.674 -1.027 5.505) 5.641 10.209 ( -2.342 -1.761 -2.962) 4.167 10.571 ( 5.934 -1.590 -2.050) 6.476 10.834 ( -5.246 3.667 -3.197) 7.155 11.187 ( -5.767 -1.984 -12.487) 13.897 11.323 ( -1.722 -0.955 -7.511) 7.765 12.216 ( 1.492 4.733 -0.060) 4.963 12.365 ( -1.321 -3.455 -4.585) 5.891 13.722 ( -0.571 0.946 18.217) 18.250 13.974 ( 1.612 -2.437 14.644) 14.932 ======================= Grid point 198 (97/275) ======================= q-point: (-0.44 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -8.693 15.029 10.272) 20.174 2.085 ( -2.091 9.490 15.368) 18.182 2.325 ( -2.506 -6.280 6.796) 9.587 2.439 ( 2.562 -16.283 3.264) 16.803 2.552 ( 2.520 -6.194 17.204) 18.458 3.163 ( 1.418 -2.990 13.402) 13.804 3.454 ( -6.555 -0.449 -3.254) 7.332 3.578 ( -7.154 23.576 1.984) 24.717 4.184 ( 10.256 -0.825 -1.122) 10.350 4.580 ( 6.279 -9.871 1.123) 11.753 4.873 ( 1.529 -1.688 -0.307) 2.298 5.314 ( 3.209 0.419 -5.197) 6.123 5.573 ( -0.650 1.076 -7.971) 8.069 6.061 ( -8.768 -6.421 -0.943) 10.909 6.364 ( -5.507 0.678 -5.113) 7.545 6.674 ( -5.765 -4.835 2.403) 7.899 7.106 ( 2.100 -2.942 13.902) 14.365 7.452 ( 5.048 0.956 -3.944) 6.476 7.593 ( 3.696 -4.018 -1.714) 5.722 8.263 ( -0.189 5.530 -0.942) 5.612 8.844 ( -5.104 6.524 3.258) 8.901 9.019 ( 2.357 4.028 -7.153) 8.541 9.585 ( 7.007 3.019 6.397) 9.956 9.837 ( 7.304 -3.715 0.565) 8.214 10.156 ( -5.936 -1.802 -2.854) 6.829 10.584 ( -4.624 2.786 -4.436) 6.987 10.768 ( 4.830 3.644 -2.007) 6.375 11.098 ( -4.380 -4.184 -12.499) 13.890 11.277 ( -2.323 -0.717 -9.298) 9.610 12.114 ( -3.918 7.235 -0.617) 8.251 12.390 ( -2.423 -6.231 -1.427) 6.836 13.765 ( 0.041 0.353 16.407) 16.411 14.059 ( 0.147 -3.491 13.947) 14.378 ======================= Grid point 199 (98/275) ======================= q-point: (-0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 4.312 14.870 12.930) 20.172 1.939 ( -2.054 16.273 15.764) 22.749 2.440 ( 1.688 -8.076 8.974) 12.190 2.602 ( -2.701 -12.509 7.208) 14.687 2.747 ( 2.426 -11.664 9.254) 15.086 3.195 ( -3.639 9.350 11.695) 15.409 3.240 ( -7.736 9.962 13.465) 18.449 3.366 ( -1.835 0.524 -5.247) 5.583 4.375 ( 10.651 -2.985 -0.318) 11.066 4.741 ( 3.341 -4.325 -0.795) 5.523 4.906 ( -0.425 -1.694 -0.150) 1.752 5.370 ( 5.907 0.204 -5.961) 8.394 5.517 ( -2.225 0.193 -7.502) 7.827 5.997 ( -3.897 0.388 -0.122) 3.918 6.330 ( -0.134 -8.338 -4.674) 9.559 6.631 ( -5.587 -4.639 1.064) 7.339 7.222 ( 4.101 -0.964 10.796) 11.589 7.515 ( 3.082 -1.934 0.130) 3.641 7.683 ( 3.361 -1.493 -2.088) 4.229 8.180 ( -1.023 7.508 -1.133) 7.661 8.667 ( -5.482 8.222 2.859) 10.287 9.037 ( 4.823 3.336 -5.099) 7.771 9.707 ( 7.248 0.412 7.161) 10.197 9.989 ( 3.362 -3.849 -4.053) 6.522 10.079 ( -0.748 -1.694 -1.141) 2.175 10.431 ( -4.246 5.903 -4.812) 8.720 10.812 ( 5.160 4.886 -1.923) 7.362 11.086 ( 1.801 -2.775 -13.351) 13.755 11.213 ( -3.593 -1.835 -9.397) 10.226 11.962 ( -4.431 7.277 -1.561) 8.662 12.403 ( -4.681 -7.468 -0.134) 8.815 13.781 ( -3.687 -0.080 15.880) 16.303 14.128 ( -1.389 -4.165 13.336) 14.040 ======================= Grid point 200 (99/275) ======================= q-point: (-0.22 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 20.595 10.366 13.096) 26.516 1.791 ( 2.135 17.220 13.796) 22.167 2.535 ( -7.025 -6.469 15.059) 17.832 2.630 ( -0.240 5.085 5.490) 7.487 2.838 ( -1.271 0.422 9.969) 10.058 3.070 ( -2.109 -3.252 2.348) 4.532 3.164 ( -9.201 -7.497 12.057) 16.918 3.353 ( 0.901 2.155 5.374) 5.859 4.568 ( 6.844 -5.368 -0.719) 8.728 4.800 ( 1.858 -1.691 -2.414) 3.484 4.857 ( -7.108 -0.250 0.979) 7.179 5.450 ( 4.842 2.346 -10.239) 11.567 5.467 ( 0.188 -1.215 -4.612) 4.774 5.934 ( 0.268 5.454 0.978) 5.548 6.513 ( 8.190 -12.383 -2.963) 15.140 6.626 ( -1.421 -7.081 -1.232) 7.326 7.287 ( 2.944 3.576 4.697) 6.597 7.559 ( -1.993 -0.222 4.281) 4.727 7.712 ( 1.455 1.986 -2.070) 3.217 8.098 ( 0.385 4.063 1.500) 4.348 8.531 ( -1.610 7.676 1.631) 8.011 9.047 ( 2.763 4.369 -4.027) 6.553 9.757 ( -7.011 -5.546 7.850) 11.896 10.077 ( 6.119 1.759 -2.860) 6.980 10.145 ( 5.476 -4.489 -1.466) 7.231 10.382 ( 8.467 4.221 -7.176) 11.874 10.812 ( 3.170 6.766 -0.635) 7.498 11.022 ( -4.046 4.069 -18.658) 19.520 11.240 ( 4.588 -4.714 -5.163) 8.362 11.820 ( -2.961 6.283 -2.982) 7.559 12.408 ( -5.089 -8.868 -0.555) 10.240 13.733 ( -7.952 -0.830 17.175) 18.945 14.170 ( -3.041 -3.551 13.004) 13.818 ======================= Grid point 201 (100/275) ======================= q-point: (-0.11 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 5.903 17.425 9.467) 20.691 1.906 ( 19.508 10.756 12.450) 25.520 2.437 ( -1.998 4.502 20.660) 21.239 2.633 ( -1.344 -0.650 7.204) 7.357 2.823 ( -5.218 -3.189 3.029) 6.824 3.019 ( -5.647 -0.370 4.907) 7.491 3.220 ( -3.619 -9.948 5.380) 11.875 3.381 ( 1.296 -1.879 11.502) 11.727 4.637 ( -5.744 -2.593 -5.072) 8.090 4.738 ( -7.271 -4.378 0.490) 8.501 4.860 ( 2.908 -1.892 1.556) 3.803 5.393 ( -2.042 0.802 -10.943) 11.160 5.537 ( 6.803 2.536 -6.200) 9.547 5.894 ( 4.035 8.882 1.833) 9.927 6.666 ( 1.439 -7.312 -0.518) 7.470 6.852 ( 11.354 -12.651 -4.773) 17.656 7.269 ( 0.239 6.223 2.545) 6.728 7.464 ( -6.276 3.403 1.386) 7.273 7.686 ( 1.070 5.313 -2.027) 5.786 8.106 ( -0.795 -0.190 6.288) 6.341 8.476 ( 4.324 5.870 2.088) 7.584 9.022 ( 0.815 2.607 -3.404) 4.364 9.739 ( -5.849 -8.820 6.782) 12.570 10.026 ( -5.123 1.660 5.803) 7.917 10.388 ( 15.484 1.636 -16.389) 22.606 10.513 ( 11.702 -1.332 -1.408) 11.861 10.719 ( -7.178 7.277 -3.074) 10.674 10.896 ( 5.843 6.512 -13.214) 15.848 11.353 ( 4.611 -2.916 -3.777) 6.636 11.725 ( -0.243 4.688 -4.935) 6.811 12.434 ( -3.563 -9.969 -3.484) 11.145 13.654 ( -9.291 -2.304 19.579) 21.794 14.171 ( -4.639 -1.359 13.190) 14.048 ======================= Grid point 206 (101/275) ======================= q-point: ( 0.44 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 3.149 -0.000 11.596) 12.016 1.986 ( -11.430 0.000 6.738) 13.268 2.249 ( 5.645 -0.000 2.396) 6.132 2.301 ( -1.332 0.000 10.018) 10.106 2.498 ( -4.108 0.000 25.961) 26.284 3.118 ( 2.125 -0.000 12.160) 12.344 3.447 ( -6.171 0.000 -5.068) 7.985 3.951 ( 0.934 -0.000 -8.937) 8.985 4.114 ( -3.894 0.000 -2.371) 4.559 4.427 ( 14.547 -0.000 9.243) 17.235 4.854 ( 1.415 -0.000 0.167) 1.424 5.315 ( 2.140 -0.000 -4.085) 4.612 5.596 ( 0.299 -0.000 -8.894) 8.899 5.967 ( -7.805 0.000 -1.716) 7.992 6.391 ( -7.204 0.000 -5.550) 9.094 6.614 ( -4.330 0.000 4.176) 6.016 7.068 ( 1.668 -0.000 15.388) 15.479 7.505 ( 8.356 -0.000 -4.059) 9.290 7.507 ( 1.102 -0.000 -3.986) 4.135 8.327 ( 0.194 -0.000 -1.582) 1.593 8.917 ( -1.226 0.000 3.670) 3.869 9.071 ( -2.493 0.000 -6.175) 6.660 9.627 ( 5.551 -0.000 8.204) 9.906 9.771 ( 5.938 -0.000 0.539) 5.962 10.144 ( -4.565 0.000 -2.804) 5.357 10.619 ( 1.209 -0.000 -5.313) 5.449 10.815 ( 2.315 -0.000 -1.806) 2.936 11.033 ( -6.176 0.000 -12.619) 14.049 11.272 ( -1.800 0.000 -10.090) 10.250 12.257 ( -2.427 0.000 4.057) 4.728 12.259 ( -4.962 0.000 -4.910) 6.980 13.772 ( 0.218 -0.000 15.386) 15.388 14.019 ( 0.352 -0.000 14.378) 14.382 ======================= Grid point 208 (102/275) ======================= q-point: (-0.44 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 2.285 15.496 8.617) 17.877 2.146 ( 1.201 -5.856 13.464) 14.731 2.290 ( 1.012 -0.470 7.991) 8.068 2.337 ( -0.687 -5.834 5.636) 8.141 2.563 ( 0.006 -5.010 23.223) 23.758 3.134 ( -7.773 -2.527 16.795) 18.679 3.368 ( -0.726 0.117 -8.130) 8.163 3.761 ( -1.836 22.575 -2.056) 22.743 4.204 ( 2.949 -13.176 -5.230) 14.479 4.686 ( 11.196 -0.733 7.726) 13.623 4.868 ( -0.508 -1.350 -0.303) 1.474 5.357 ( 4.283 -0.704 -3.816) 5.779 5.544 ( -2.137 1.475 -9.994) 10.326 5.937 ( 1.564 -3.724 -1.136) 4.196 6.254 ( -6.267 -0.222 -4.730) 7.855 6.569 ( -3.666 -1.321 3.537) 5.263 7.175 ( 4.329 -2.002 16.146) 16.835 7.524 ( 4.127 1.801 -5.053) 6.769 7.624 ( 4.819 -2.939 -3.604) 6.697 8.309 ( 0.326 3.474 -3.053) 4.637 8.834 ( -5.915 6.107 5.585) 10.172 9.057 ( 1.896 -1.202 -2.840) 3.620 9.719 ( 3.437 0.575 9.505) 10.123 9.916 ( 8.734 -2.168 -6.026) 10.831 10.042 ( -6.541 -1.336 -0.269) 6.681 10.570 ( -1.029 5.516 -4.259) 7.045 10.890 ( 6.697 2.290 -3.803) 8.035 10.972 ( 1.197 -5.594 -12.425) 13.678 11.199 ( -3.701 -0.121 -12.451) 12.990 12.108 ( -5.476 6.196 -1.364) 8.381 12.255 ( -5.448 -6.232 2.228) 8.572 13.795 ( -2.225 0.784 14.215) 14.409 14.059 ( -1.411 -1.882 14.058) 14.254 ======================= Grid point 209 (103/275) ======================= q-point: (-0.33 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 15.059 11.673 9.876) 21.461 2.111 ( -0.969 11.453 15.628) 19.400 2.379 ( -5.310 -6.986 7.578) 11.594 2.476 ( 6.470 -10.866 4.209) 13.328 2.688 ( -0.904 -8.032 18.129) 19.849 3.040 ( -11.863 -4.611 12.592) 17.904 3.328 ( -2.459 5.824 2.276) 6.719 3.513 ( 3.004 20.041 0.412) 20.269 4.383 ( 3.178 -12.112 -5.569) 13.704 4.795 ( 0.627 0.856 0.074) 1.063 4.856 ( -2.933 -0.073 5.643) 6.360 5.443 ( 3.709 -0.804 -5.014) 6.288 5.475 ( 1.375 0.107 -10.867) 10.954 6.026 ( 5.330 2.490 -0.190) 5.886 6.256 ( 4.994 -9.337 -4.352) 11.448 6.547 ( -1.540 -1.265 2.607) 3.281 7.311 ( 4.148 -1.393 13.955) 14.625 7.557 ( 2.636 1.480 -1.699) 3.468 7.703 ( 2.375 -2.386 -2.977) 4.494 8.238 ( -1.050 6.598 -3.398) 7.496 8.686 ( -3.825 7.045 3.950) 8.937 9.107 ( 2.908 0.087 -0.993) 3.075 9.703 ( -7.656 1.511 6.105) 9.908 10.003 ( 1.909 -8.212 -0.231) 8.434 10.092 ( 7.826 -0.043 -2.495) 8.214 10.504 ( 3.962 6.619 -3.665) 8.540 10.925 ( 3.715 3.043 -4.272) 6.428 11.070 ( -0.553 0.842 -23.407) 23.428 11.126 ( 5.208 -5.319 -4.466) 8.681 11.952 ( -4.980 5.887 -1.435) 7.843 12.234 ( -6.556 -7.146 2.315) 9.970 13.755 ( -5.687 2.007 14.938) 16.109 14.092 ( -2.657 -3.332 13.916) 14.554 ======================= Grid point 210 (104/275) ======================= q-point: (-0.22 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 6.415 11.213 10.773) 16.821 2.089 ( 15.624 6.823 13.068) 21.481 2.343 ( -10.298 -5.715 8.550) 14.554 2.652 ( 2.528 -4.548 0.193) 5.207 2.773 ( -5.701 -6.478 12.651) 15.314 2.967 ( -4.677 -4.454 11.891) 13.532 3.194 ( 0.270 12.621 12.312) 17.634 3.447 ( 4.020 7.419 1.574) 8.584 4.514 ( 0.492 -8.797 -6.921) 11.204 4.678 ( -12.619 -1.483 -0.813) 12.732 4.849 ( -0.113 0.747 5.991) 6.038 5.399 ( -2.247 -0.137 -8.464) 8.758 5.572 ( 8.043 0.559 -8.708) 11.867 6.061 ( 6.651 5.947 -1.342) 9.022 6.532 ( 8.862 -9.851 -1.209) 13.306 6.582 ( 5.870 -5.844 0.363) 8.291 7.376 ( 1.387 3.381 4.870) 6.089 7.541 ( -3.533 2.582 5.892) 7.340 7.733 ( 0.491 -0.166 -1.226) 1.331 8.152 ( -0.202 4.667 -0.952) 4.768 8.602 ( 0.997 5.326 1.392) 5.594 9.108 ( -0.041 4.313 -0.760) 4.380 9.584 ( -8.039 -4.369 4.194) 10.065 10.053 ( -3.361 -0.113 6.535) 7.349 10.303 ( 15.271 -6.520 -7.000) 18.020 10.541 ( 6.494 2.724 -2.643) 7.522 10.835 ( -8.663 3.710 -10.721) 14.275 11.026 ( 9.169 4.250 -16.280) 19.162 11.289 ( 7.617 -2.762 -5.729) 9.924 11.825 ( -2.674 4.635 -2.671) 5.981 12.221 ( -5.973 -9.212 0.589) 10.995 13.664 ( -7.185 2.590 17.209) 18.828 14.116 ( -3.518 -3.342 13.953) 14.773 ======================= Grid point 211 (105/275) ======================= q-point: (-0.11 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 4.355 12.473 9.940) 16.533 2.233 ( -9.963 -1.334 10.279) 14.377 2.354 ( 12.129 2.579 9.239) 15.463 2.634 ( -10.700 -5.844 -0.206) 12.194 2.722 ( -1.725 2.644 6.033) 6.809 3.060 ( 5.075 -1.252 14.252) 15.180 3.187 ( 3.983 3.196 14.379) 15.259 3.467 ( 5.306 3.755 4.116) 7.694 4.418 ( -16.374 -2.856 -2.352) 16.787 4.602 ( -1.437 -5.731 -5.007) 7.745 4.848 ( -2.866 -1.779 4.532) 5.650 5.344 ( -1.254 0.403 -10.381) 10.464 5.638 ( 4.679 2.738 -7.077) 8.915 6.124 ( 11.256 8.162 -2.731) 14.170 6.630 ( 1.978 -4.296 2.104) 5.177 6.897 ( 11.240 -11.009 -4.234) 16.293 7.321 ( -2.106 4.436 0.144) 4.913 7.417 ( -6.514 6.071 4.596) 10.020 7.729 ( -0.253 1.392 1.846) 2.326 8.109 ( -2.175 2.814 5.099) 6.217 8.611 ( 5.098 3.205 -0.577) 6.049 9.042 ( -0.785 3.248 -1.691) 3.745 9.575 ( -4.427 -9.090 5.114) 11.330 9.967 ( -7.235 2.775 2.942) 8.288 10.545 ( 4.813 0.153 -6.501) 8.090 10.607 ( -5.773 5.068 -12.544) 14.709 10.659 ( 10.436 -4.711 -2.532) 11.727 11.146 ( 17.156 6.182 -9.723) 20.666 11.364 ( 0.528 -1.666 -3.067) 3.530 11.754 ( -0.111 3.484 -4.375) 5.593 12.251 ( -3.420 -11.328 -4.040) 12.504 13.583 ( -5.596 1.663 19.872) 20.712 14.119 ( -4.226 -1.514 14.120) 14.817 ======================= Grid point 217 (106/275) ======================= q-point: (-0.44 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 6.972 -0.000 5.191) 8.692 2.162 ( 3.174 -0.000 14.027) 14.381 2.331 ( 2.477 -0.000 6.461) 6.919 2.338 ( 1.688 -0.000 7.926) 8.103 2.600 ( 0.331 -0.000 25.920) 25.922 2.978 ( -13.182 0.000 13.008) 18.520 3.363 ( 0.629 -0.000 -2.656) 2.729 3.891 ( -2.263 0.000 -2.594) 3.443 4.127 ( 5.331 -0.000 -5.822) 7.895 4.811 ( -5.647 0.000 -1.149) 5.763 4.853 ( 4.361 -0.000 10.141) 11.039 5.436 ( 7.815 -0.000 -6.138) 9.938 5.472 ( -3.671 0.000 -10.876) 11.478 6.038 ( 12.711 -0.000 -0.509) 12.722 6.163 ( -2.190 0.000 -5.100) 5.551 6.540 ( -0.734 0.000 4.753) 4.809 7.282 ( 4.485 -0.000 17.400) 17.969 7.604 ( 5.698 -0.000 -5.300) 7.782 7.647 ( 1.272 -0.000 -3.387) 3.618 8.315 ( -0.998 0.000 -4.876) 4.977 8.787 ( -6.351 0.000 6.644) 9.191 9.081 ( 3.503 -0.000 -0.859) 3.607 9.804 ( 4.256 -0.000 9.642) 10.540 9.833 ( -11.630 0.000 -3.601) 12.175 10.090 ( 9.637 -0.000 -2.647) 9.994 10.600 ( 0.557 -0.000 -0.388) 0.679 10.937 ( 5.869 -0.000 -14.595) 15.731 11.063 ( 10.342 -0.000 -1.807) 10.498 11.080 ( -4.662 0.000 -20.498) 21.021 12.050 ( -5.807 0.000 -3.397) 6.728 12.123 ( -6.877 0.000 5.728) 8.950 13.784 ( -4.528 0.000 14.053) 14.765 14.050 ( -2.928 0.000 14.271) 14.568 ======================= Grid point 219 (107/275) ======================= q-point: (-0.33 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -0.952 -1.360 7.706) 7.882 2.204 ( -1.790 2.865 15.060) 15.434 2.355 ( 6.445 6.096 5.662) 10.524 2.519 ( 5.546 -7.025 4.315) 9.936 2.693 ( 2.164 1.269 20.144) 20.300 2.843 ( -7.833 -6.248 14.609) 17.715 3.356 ( -0.098 2.198 2.228) 3.132 3.759 ( 2.130 16.214 -0.223) 16.355 4.283 ( 4.188 -11.333 -7.492) 14.217 4.659 ( -13.292 -0.437 -1.376) 13.371 4.876 ( -3.098 1.094 9.906) 10.436 5.392 ( -2.605 -0.327 -9.474) 9.831 5.566 ( 9.832 -0.578 -10.192) 14.173 6.145 ( 4.713 2.256 -4.892) 7.158 6.318 ( 14.728 -6.489 -1.580) 16.171 6.570 ( 3.404 0.952 6.390) 7.303 7.396 ( 2.700 -0.724 15.309) 15.562 7.602 ( -1.434 3.416 -0.877) 3.807 7.701 ( 2.670 -2.541 -2.454) 4.428 8.251 ( -2.615 3.068 -5.194) 6.575 8.698 ( -2.926 3.070 3.358) 5.409 9.144 ( 2.508 -0.727 0.476) 2.655 9.598 ( -10.927 4.318 0.713) 11.771 9.971 ( 5.946 -6.133 7.210) 11.178 10.220 ( 7.581 -0.936 -3.331) 8.333 10.594 ( 0.399 1.654 1.215) 2.091 10.898 ( -7.196 2.427 -16.306) 17.988 11.043 ( 9.036 -1.945 -17.126) 19.462 11.259 ( 13.548 -0.056 -7.807) 15.636 11.923 ( -4.868 4.436 -1.157) 6.687 12.056 ( -7.716 -6.009 3.070) 10.250 13.728 ( -5.313 2.389 15.439) 16.501 14.048 ( -3.552 -2.307 14.584) 15.186 ======================= Grid point 220 (108/275) ======================= q-point: (-0.22 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -11.009 -6.681 7.167) 14.738 2.175 ( -1.132 4.505 15.357) 16.044 2.438 ( 2.133 0.237 2.576) 3.353 2.553 ( -0.569 0.984 10.192) 10.255 2.743 ( 0.947 -0.626 9.627) 9.693 2.995 ( 8.570 -3.278 16.101) 18.532 3.336 ( 1.542 5.179 7.974) 9.632 3.665 ( 7.002 14.603 0.078) 16.195 4.366 ( -14.873 -2.598 -4.846) 15.857 4.449 ( -2.572 -7.748 -4.628) 9.384 4.823 ( -5.244 -0.554 8.098) 9.663 5.340 ( -1.852 -0.682 -8.569) 8.794 5.681 ( 7.628 1.105 -11.476) 13.824 6.222 ( 8.987 1.398 -6.205) 11.010 6.571 ( 5.961 -4.142 2.299) 7.614 6.708 ( 13.283 -2.562 3.116) 13.882 7.410 ( -3.543 3.427 0.261) 4.936 7.530 ( -4.285 2.950 11.539) 12.657 7.727 ( -0.629 -0.044 1.320) 1.463 8.174 ( -1.409 2.244 -2.172) 3.426 8.664 ( 1.166 1.798 -0.976) 2.355 9.142 ( -0.933 4.153 0.421) 4.277 9.441 ( -6.379 -2.228 3.034) 7.407 10.034 ( -3.627 3.114 1.979) 5.174 10.406 ( 7.664 -8.923 -3.861) 12.380 10.592 ( 0.144 -2.223 1.613) 2.751 10.738 ( -0.637 5.297 -14.223) 15.191 11.175 ( 9.750 -2.528 -16.070) 18.966 11.415 ( 9.608 5.081 -4.215) 11.658 11.818 ( -2.207 2.544 -2.558) 4.229 12.025 ( -5.857 -9.082 -0.410) 10.814 13.659 ( -3.792 4.499 17.578) 18.537 14.063 ( -3.333 -3.283 14.818) 15.538 ======================= Grid point 221 (109/275) ======================= q-point: (-0.11 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -13.513 -9.162 7.451) 17.946 2.164 ( 2.075 6.136 13.893) 15.329 2.343 ( -14.533 -6.379 3.672) 16.290 2.667 ( 10.677 6.237 8.341) 14.915 2.761 ( 1.374 4.919 5.734) 7.679 3.160 ( 4.273 0.923 13.660) 14.343 3.358 ( 2.989 2.947 13.889) 14.509 3.662 ( 7.400 9.754 1.911) 12.391 4.069 ( -19.327 -4.256 -3.974) 20.185 4.535 ( 2.533 -6.054 -5.676) 8.677 4.776 ( -4.323 -1.930 5.190) 7.025 5.296 ( -1.479 -0.672 -9.196) 9.338 5.717 ( 3.588 3.660 -9.532) 10.823 6.355 ( 11.145 1.744 -8.008) 13.835 6.668 ( 3.833 1.043 7.363) 8.366 6.958 ( 7.828 -4.393 -3.449) 9.616 7.286 ( -4.131 -0.397 -2.113) 4.657 7.409 ( -6.577 8.416 6.728) 12.623 7.725 ( -1.482 -0.870 6.084) 6.322 8.123 ( -2.483 3.841 4.541) 6.446 8.663 ( -0.387 -0.546 -4.382) 4.433 9.087 ( 2.304 4.165 -1.118) 4.889 9.439 ( -2.995 -6.904 5.760) 9.477 9.841 ( -12.867 4.131 -5.374) 14.543 10.463 ( -3.388 -4.043 -1.328) 5.439 10.664 ( 1.867 5.346 -6.459) 8.589 10.761 ( 9.491 -3.798 -7.195) 12.500 11.285 ( -1.530 -5.547 -5.931) 8.264 11.492 ( 15.233 6.349 -4.395) 17.078 11.767 ( -1.268 2.654 -3.633) 4.675 12.082 ( 0.617 -10.992 -5.862) 12.473 13.614 ( -1.571 4.835 19.663) 20.310 14.084 ( -2.510 -1.753 14.789) 15.102 ======================= Grid point 228 (110/275) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -11.749 0.000 9.594) 15.169 2.210 ( -5.515 0.000 14.000) 15.048 2.452 ( -1.921 0.000 -0.083) 1.922 2.588 ( 4.412 -0.000 12.902) 13.636 2.725 ( 0.521 -0.000 14.822) 14.832 2.952 ( 14.118 -0.000 16.108) 21.419 3.383 ( 1.167 -0.000 3.066) 3.281 3.903 ( 4.788 -0.000 0.033) 4.789 4.269 ( 3.690 -0.000 -9.150) 9.866 4.378 ( -19.463 0.000 -1.442) 19.516 4.819 ( -6.948 0.000 9.890) 12.087 5.329 ( -2.047 0.000 -8.489) 8.732 5.690 ( 9.150 -0.000 -13.720) 16.491 6.231 ( 7.456 -0.000 -6.594) 9.954 6.496 ( 10.366 -0.000 -0.160) 10.367 6.719 ( 11.181 -0.000 7.891) 13.685 7.443 ( -2.188 0.000 7.064) 7.395 7.558 ( -5.093 0.000 8.050) 9.526 7.733 ( 1.797 -0.000 0.532) 1.874 8.196 ( -3.753 0.000 -5.421) 6.594 8.686 ( -0.650 0.000 -0.225) 0.688 9.174 ( 1.056 -0.000 1.292) 1.669 9.451 ( -9.313 0.000 1.745) 9.475 10.074 ( 3.858 -0.000 1.247) 4.055 10.286 ( 2.994 -0.000 -1.613) 3.401 10.561 ( -2.215 0.000 0.083) 2.216 10.806 ( -0.385 0.000 -10.701) 10.708 11.132 ( 7.869 -0.000 -18.537) 20.138 11.484 ( 15.983 -0.000 -7.781) 17.777 11.872 ( -9.828 0.000 2.910) 10.250 11.891 ( -2.982 0.000 -2.202) 3.707 13.722 ( -2.404 0.000 16.412) 16.587 14.015 ( -3.630 0.000 15.344) 15.767 ======================= Grid point 229 (111/275) ======================= q-point: (-0.22 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -15.520 -4.319 10.319) 19.132 2.117 ( -12.218 -4.120 12.856) 18.208 2.395 ( -1.144 4.847 5.678) 7.552 2.702 ( 5.160 -0.629 14.342) 15.255 2.837 ( 7.521 1.523 8.598) 11.525 3.186 ( 9.113 1.040 13.143) 16.027 3.406 ( -0.151 1.055 7.366) 7.443 3.931 ( 5.176 11.664 0.557) 12.774 4.006 ( -20.027 -1.418 -5.055) 20.704 4.377 ( 3.793 -7.464 -6.881) 10.837 4.741 ( -5.306 -1.018 7.564) 9.295 5.277 ( -2.274 -0.742 -7.583) 7.951 5.769 ( 5.672 1.068 -14.645) 15.741 6.356 ( 9.723 -0.284 -6.765) 11.848 6.656 ( 7.665 -2.099 3.381) 8.636 6.925 ( 11.987 1.139 4.357) 12.804 7.313 ( -10.939 1.404 -3.473) 11.562 7.532 ( -3.702 2.052 15.702) 16.262 7.727 ( -1.502 1.865 3.101) 3.918 8.136 ( -2.670 -1.812 -2.897) 4.337 8.668 ( -1.716 0.754 -2.535) 3.153 9.172 ( -0.266 2.160 1.406) 2.591 9.359 ( -2.206 -0.702 3.075) 3.849 9.940 ( -13.295 4.140 -8.695) 16.417 10.339 ( -1.103 -5.511 -1.816) 5.906 10.639 ( 6.973 -2.864 1.385) 7.664 10.805 ( 4.986 3.388 -5.998) 8.504 11.172 ( -0.394 -3.563 -12.963) 13.449 11.647 ( 6.909 7.532 -3.922) 10.947 11.785 ( -0.233 -2.708 -3.987) 4.826 11.885 ( 2.691 -5.400 -3.199) 6.828 13.732 ( 0.694 4.582 17.291) 17.901 14.024 ( -2.242 -2.936 15.822) 16.247 ======================= Grid point 230 (112/275) ======================= q-point: (-0.11 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -15.332 -9.187 10.631) 20.796 1.988 ( -16.331 -8.720 10.884) 21.476 2.362 ( 3.194 8.416 10.262) 13.651 2.804 ( 2.728 2.074 12.996) 13.440 2.950 ( 7.295 3.939 4.371) 9.372 3.273 ( -2.642 3.208 10.945) 11.708 3.324 ( -11.578 -0.905 13.910) 18.121 3.754 ( -2.461 0.585 -3.297) 4.156 3.916 ( 2.313 9.214 -1.973) 9.702 4.507 ( 3.878 -7.209 -4.622) 9.401 4.737 ( 1.743 -1.592 3.779) 4.456 5.232 ( -2.082 -1.440 -7.629) 8.038 5.772 ( 2.074 2.938 -12.479) 12.987 6.487 ( 7.333 0.884 -5.066) 8.956 6.789 ( 5.894 1.167 3.649) 7.030 7.010 ( -3.426 4.830 -1.534) 6.117 7.203 ( 2.024 -7.216 0.092) 7.495 7.413 ( -6.772 8.991 6.033) 12.771 7.706 ( -1.983 -0.763 6.956) 7.273 8.119 ( -2.353 -0.356 3.272) 4.046 8.580 ( -6.696 -0.167 -3.962) 7.782 9.157 ( 0.527 1.237 0.656) 1.496 9.397 ( 3.083 -1.351 3.734) 5.027 9.628 ( -14.737 3.297 -10.404) 18.338 10.363 ( -2.549 -6.261 -1.106) 6.850 10.710 ( 1.020 1.484 -3.319) 3.776 10.837 ( 2.142 2.913 -6.951) 7.835 11.148 ( -4.663 -6.558 -3.499) 8.774 11.662 ( 1.925 -1.244 -7.702) 8.036 11.758 ( -0.971 0.501 -2.195) 2.452 12.106 ( 15.913 -3.403 -6.106) 17.381 13.733 ( 1.530 7.340 18.876) 20.310 14.085 ( 0.491 -2.458 15.265) 15.469 ======================= Grid point 238 (113/275) ======================= q-point: (-0.22 -0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -17.265 0.000 12.952) 21.583 1.886 ( -16.414 0.000 12.714) 20.762 2.465 ( 2.858 -0.000 9.938) 10.341 2.821 ( 5.204 -0.000 17.146) 17.918 2.978 ( 3.129 -0.000 5.293) 6.149 3.300 ( -18.330 0.000 11.740) 21.767 3.332 ( 3.693 -0.000 9.742) 10.418 3.743 ( -1.765 0.000 -7.825) 8.021 4.097 ( 2.207 -0.000 1.247) 2.535 4.380 ( 4.848 -0.000 -6.040) 7.745 4.715 ( 1.827 -0.000 4.686) 5.030 5.213 ( -2.524 0.000 -6.571) 7.039 5.800 ( 2.511 -0.000 -15.550) 15.752 6.507 ( 10.944 -0.000 -5.200) 12.117 6.784 ( 8.051 -0.000 3.921) 8.955 7.088 ( -15.623 0.000 -3.327) 15.973 7.114 ( 8.685 -0.000 3.714) 9.445 7.520 ( -5.056 0.000 14.443) 15.302 7.715 ( -2.686 0.000 2.069) 3.391 8.060 ( -3.109 0.000 -3.491) 4.674 8.605 ( -6.466 0.000 0.184) 6.468 9.171 ( -1.916 0.000 3.072) 3.620 9.390 ( 5.667 -0.000 0.693) 5.709 9.679 ( -16.252 0.000 -12.423) 20.456 10.275 ( -3.272 0.000 -1.360) 3.544 10.705 ( 2.775 -0.000 -1.652) 3.229 10.910 ( 5.375 -0.000 -3.283) 6.299 11.043 ( -8.316 0.000 -6.749) 10.710 11.648 ( -1.964 0.000 -7.088) 7.355 11.759 ( -2.432 0.000 -3.526) 4.283 12.074 ( 19.798 -0.000 -4.789) 20.369 13.848 ( 3.745 -0.000 16.117) 16.546 14.028 ( 0.251 -0.000 17.010) 17.012 ======================= Grid point 239 (114/275) ======================= q-point: (-0.11 -0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -15.852 -6.725 14.508) 22.517 1.664 ( -18.796 -4.481 12.416) 22.968 2.520 ( 0.790 4.908 13.230) 14.133 2.777 ( -24.229 -2.543 19.541) 31.231 2.945 ( 2.808 0.870 16.558) 16.817 3.190 ( 3.547 1.406 -1.497) 4.098 3.361 ( -1.023 1.498 6.022) 6.290 3.812 ( 8.392 -0.535 -3.892) 9.266 4.024 ( -3.183 9.676 2.072) 10.394 4.496 ( 6.112 -5.512 -3.726) 9.034 4.817 ( 7.747 -1.005 1.570) 7.968 5.169 ( -1.359 -1.096 -5.913) 6.165 5.773 ( -0.067 0.901 -13.986) 14.015 6.613 ( 1.044 7.921 2.291) 8.312 6.814 ( -4.881 1.048 -8.023) 9.449 6.967 ( 4.521 -5.532 3.897) 8.138 7.235 ( 4.689 -2.021 2.581) 5.721 7.409 ( -7.305 7.681 6.785) 12.586 7.674 ( -2.771 -1.067 3.063) 4.266 8.042 ( -2.779 -6.292 -1.917) 7.140 8.460 ( -9.231 3.202 2.059) 9.985 9.126 ( -5.089 0.598 3.432) 6.167 9.402 ( -11.110 1.719 -10.342) 15.276 9.521 ( 9.534 -0.160 -0.601) 9.555 10.229 ( -5.103 -5.671 -2.091) 7.910 10.719 ( 0.023 0.594 -3.693) 3.741 10.837 ( -6.065 5.759 -2.755) 8.805 10.996 ( -3.305 -7.792 -5.376) 10.027 11.615 ( -1.301 -0.025 -8.996) 9.089 11.707 ( -3.034 -2.449 -2.299) 4.527 12.376 ( 17.991 0.164 -5.536) 18.824 13.909 ( 3.680 7.184 16.779) 18.620 14.137 ( 4.669 -2.555 15.529) 16.415 ======================= Grid point 248 (115/275) ======================= q-point: (-0.11 -0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -14.241 0.000 18.193) 23.104 1.345 ( -22.319 0.000 12.146) 25.409 2.247 ( -29.254 0.000 27.665) 40.264 2.776 ( 8.515 -0.000 19.198) 21.002 3.060 ( 2.714 -0.000 18.501) 18.699 3.241 ( 2.618 -0.000 -5.038) 5.678 3.321 ( -5.330 0.000 2.856) 6.047 3.949 ( 9.431 -0.000 -2.221) 9.689 4.017 ( -4.436 0.000 1.670) 4.740 4.591 ( 9.835 -0.000 -2.625) 10.179 4.940 ( 7.131 -0.000 0.002) 7.131 5.145 ( 1.037 -0.000 -4.333) 4.455 5.721 ( -2.043 0.000 -13.592) 13.745 6.487 ( -18.004 0.000 3.079) 18.266 6.914 ( 13.783 -0.000 -7.503) 15.693 7.024 ( 4.612 -0.000 2.946) 5.473 7.270 ( 0.041 -0.000 3.888) 3.888 7.360 ( -6.928 0.000 7.766) 10.406 7.605 ( -3.896 0.000 -3.012) 4.924 7.913 ( -6.516 0.000 -7.276) 9.767 8.363 ( -6.552 0.000 5.558) 8.592 9.040 ( -6.715 0.000 3.683) 7.659 9.249 ( -5.367 0.000 -4.535) 7.026 9.686 ( 10.552 -0.000 -1.234) 10.624 10.104 ( -4.490 0.000 -2.673) 5.226 10.690 ( -4.198 0.000 -5.092) 6.599 10.768 ( -6.476 0.000 1.753) 6.709 10.847 ( -5.547 0.000 -6.163) 8.292 11.594 ( 0.558 -0.000 -9.571) 9.587 11.607 ( -5.773 0.000 -0.825) 5.832 12.607 ( 11.814 -0.000 -6.362) 13.419 14.044 ( 2.399 -0.000 14.464) 14.662 14.285 ( 9.717 -0.000 11.619) 15.146 ======================= Grid point 249 (116/275) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -5.302 0.000 22.737) 23.347 1.340 ( 7.738 -0.000 19.032) 20.545 2.535 ( -6.378 0.000 27.933) 28.652 2.969 ( -6.203 0.000 -6.644) 9.090 3.081 ( -2.553 0.000 -3.652) 4.456 3.462 ( -4.119 0.000 16.779) 17.277 3.494 ( -1.105 0.000 1.456) 1.827 4.019 ( -5.375 0.000 16.349) 17.209 4.398 ( 17.235 -0.000 -1.204) 17.277 4.858 ( 4.502 -0.000 2.292) 5.052 4.940 ( -1.334 0.000 -7.908) 8.019 5.161 ( 1.173 -0.000 -1.886) 2.221 5.340 ( -4.243 0.000 -6.171) 7.489 6.114 ( -10.051 0.000 4.536) 11.028 6.950 ( -3.503 0.000 -2.033) 4.050 7.069 ( -0.164 0.000 -0.452) 0.481 7.091 ( -2.270 0.000 -10.466) 10.709 7.333 ( 1.170 -0.000 1.223) 1.693 7.432 ( -7.771 0.000 2.482) 8.157 7.746 ( 7.385 -0.000 1.895) 7.624 8.417 ( 3.430 -0.000 1.838) 3.892 8.723 ( 2.793 -0.000 -12.712) 13.015 9.746 ( 11.484 -0.000 13.958) 18.076 9.974 ( 2.870 -0.000 1.487) 3.232 10.057 ( 9.197 -0.000 -2.187) 9.454 10.417 ( -9.933 0.000 6.343) 11.786 10.682 ( -4.441 0.000 3.653) 5.751 10.699 ( -1.725 0.000 -4.757) 5.060 11.386 ( 0.840 -0.000 -8.839) 8.879 11.393 ( -2.268 0.000 -2.498) 3.374 12.611 ( 0.858 -0.000 -6.688) 6.743 14.385 ( -6.165 0.000 0.053) 6.165 14.423 ( -1.238 0.000 13.762) 13.817 ======================= Grid point 250 (117/275) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -1.513 -6.851 20.956) 22.099 1.645 ( 19.359 -2.408 17.725) 26.358 2.568 ( -0.868 -3.418 22.592) 22.866 2.850 ( -4.794 0.945 -6.121) 7.832 3.012 ( -5.236 -0.664 -5.462) 7.595 3.314 ( -6.181 11.619 10.648) 16.929 3.513 ( -5.517 -5.257 8.771) 11.619 3.964 ( -4.581 3.686 19.628) 20.490 4.623 ( 8.626 0.318 -4.884) 9.918 4.858 ( -0.835 4.192 -5.399) 6.886 4.913 ( 1.029 -0.365 1.321) 1.713 5.181 ( 1.094 -2.763 -4.739) 5.594 5.244 ( -6.629 -1.670 -5.706) 8.905 5.974 ( -7.873 1.125 7.977) 11.264 6.880 ( -0.669 4.847 -6.575) 8.196 6.950 ( 5.568 12.859 -2.902) 14.310 7.135 ( -0.637 -4.038 1.260) 4.278 7.378 ( -4.366 -6.118 -3.610) 8.338 7.399 ( -1.646 -9.750 2.634) 10.233 7.942 ( 9.874 -6.414 -0.323) 11.779 8.475 ( 5.052 3.313 2.982) 6.738 8.774 ( 7.012 -0.403 -10.160) 12.351 9.927 ( 8.765 2.292 5.162) 10.427 10.051 ( 1.884 -5.431 3.724) 6.849 10.214 ( 4.083 4.698 0.469) 6.241 10.292 ( 1.479 -0.550 3.686) 4.009 10.613 ( -2.986 0.219 -0.914) 3.130 10.655 ( -5.655 -3.703 -2.399) 7.173 11.338 ( 2.476 3.982 -5.332) 7.101 11.442 ( 1.451 -5.265 -4.818) 7.282 12.572 ( -1.990 1.964 -6.593) 7.161 14.231 ( -8.400 5.147 5.970) 11.519 14.442 ( -3.308 -2.176 12.808) 13.406 ======================= Grid point 251 (118/275) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 3.004 -13.030 15.674) 20.602 2.022 ( 14.119 -6.053 16.493) 22.539 2.612 ( -2.420 0.885 -1.227) 2.853 2.790 ( -5.136 -1.014 -5.945) 7.921 2.952 ( 2.927 -0.934 13.205) 13.558 3.119 ( -4.903 10.639 6.307) 13.305 3.480 ( -6.358 -2.433 12.196) 13.967 3.905 ( -3.733 5.008 21.715) 22.596 4.609 ( -4.250 2.610 -3.066) 5.855 4.771 ( -3.157 4.380 -4.647) 7.124 4.936 ( -0.837 0.694 1.219) 1.633 5.136 ( -5.576 -2.953 -7.677) 9.937 5.284 ( 8.131 -4.690 -9.977) 13.698 5.907 ( -4.060 -2.956 10.315) 11.473 6.788 ( 2.494 9.562 -7.593) 12.463 6.951 ( 5.732 6.672 -2.225) 9.073 7.173 ( -2.686 -7.132 2.209) 7.934 7.369 ( -1.109 -2.155 -3.516) 4.271 7.505 ( 1.049 -9.586 1.617) 9.778 8.132 ( 4.813 -5.472 0.517) 7.306 8.530 ( 5.209 3.274 3.886) 7.277 8.884 ( 7.438 -0.929 -6.566) 9.965 9.995 ( -0.955 0.608 -3.212) 3.405 10.070 ( -6.081 7.934 4.116) 10.811 10.130 ( 1.143 -4.631 4.594) 6.622 10.515 ( 13.396 -0.441 -2.840) 13.701 10.603 ( 3.825 -0.785 -4.703) 6.112 10.617 ( -1.270 -5.313 1.588) 5.689 11.334 ( 2.153 1.936 -6.443) 7.064 11.519 ( 3.096 -3.817 -3.267) 5.901 12.472 ( -3.971 4.229 -6.911) 9.023 14.069 ( -7.161 4.970 11.130) 14.137 14.431 ( -4.713 -1.628 13.202) 14.112 ======================= Grid point 252 (119/275) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 6.154 -15.539 10.024) 19.489 2.292 ( 2.890 -9.912 14.179) 17.540 2.522 ( -4.363 -0.047 -5.948) 7.377 2.617 ( -7.505 5.989 -1.551) 9.726 2.931 ( -6.272 6.718 4.297) 10.145 3.222 ( 15.147 -1.486 11.419) 19.027 3.456 ( -3.141 -2.694 15.215) 15.768 3.857 ( -2.389 4.875 20.751) 21.449 4.466 ( -8.203 5.228 -1.172) 9.797 4.631 ( -5.713 4.510 -1.915) 7.526 4.882 ( -5.017 -0.809 -0.960) 5.171 5.093 ( -1.990 -4.350 -8.932) 10.132 5.436 ( 7.796 -2.288 -11.034) 13.703 5.972 ( 2.445 -6.906 6.716) 9.939 6.731 ( 4.350 7.790 -5.311) 10.383 6.948 ( 1.329 3.497 -2.937) 4.757 7.204 ( -6.681 -11.578 0.228) 13.370 7.369 ( 3.649 4.488 -1.345) 5.938 7.638 ( 1.739 -9.275 2.475) 9.756 8.212 ( 0.387 -1.210 3.718) 3.929 8.601 ( 4.570 0.337 2.950) 5.449 8.969 ( 4.158 0.347 -3.322) 5.333 9.861 ( -10.969 1.152 -6.460) 12.782 9.894 ( -4.880 9.403 2.856) 10.973 10.256 ( 5.063 -6.767 1.250) 8.543 10.541 ( -2.093 -1.120 -0.480) 2.422 10.668 ( 3.871 -1.154 -1.123) 4.192 10.921 ( 23.665 -2.385 -3.229) 24.003 11.316 ( -0.284 1.159 -7.491) 7.585 11.594 ( 2.207 -3.055 -2.375) 4.455 12.319 ( -5.227 6.526 -7.974) 11.554 13.967 ( -4.068 3.346 14.496) 15.424 14.401 ( -5.306 -1.467 13.645) 14.714 ======================= Grid point 253 (120/275) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 4.953 -12.566 6.441) 14.964 2.279 ( -9.156 4.254 2.390) 10.375 2.487 ( -3.497 1.683 -1.529) 4.171 2.579 ( 2.395 -11.078 12.176) 16.635 2.789 ( -4.411 2.844 2.704) 5.904 3.386 ( 0.387 -2.798 7.597) 8.105 3.600 ( 9.275 -3.282 14.406) 17.445 3.842 ( 0.353 4.044 16.525) 17.017 4.194 ( -16.644 7.871 4.480) 18.948 4.543 ( 1.633 4.106 -3.575) 5.684 4.803 ( -5.431 -1.713 -1.421) 5.869 5.100 ( -0.186 -3.561 -7.672) 8.460 5.513 ( 3.262 -1.009 -8.440) 9.104 6.140 ( 7.541 -6.252 -2.211) 10.042 6.741 ( 5.116 2.687 -1.197) 5.902 6.905 ( -2.316 1.119 -3.576) 4.405 7.204 ( -8.600 -12.248 -1.517) 15.042 7.381 ( 5.393 7.065 0.512) 8.903 7.759 ( -0.032 -8.393 4.619) 9.580 8.216 ( -1.714 -0.265 6.446) 6.675 8.647 ( 0.207 1.413 0.686) 1.584 9.018 ( 4.326 0.095 -1.757) 4.670 9.619 ( -14.968 -0.342 -8.955) 17.445 9.740 ( -1.520 11.237 3.191) 11.780 10.421 ( 4.422 -8.201 0.772) 9.349 10.518 ( -1.559 0.310 1.453) 2.153 10.725 ( 3.217 0.814 -2.638) 4.240 11.254 ( -2.985 1.624 -7.898) 8.597 11.331 ( 24.393 -1.285 -3.174) 24.632 11.633 ( -1.024 -3.426 -2.107) 4.150 12.136 ( -3.629 8.457 -9.770) 13.421 13.943 ( -1.226 0.882 16.090) 16.161 14.375 ( -4.290 -1.556 13.767) 14.504 ======================= Grid point 254 (121/275) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( -8.837 11.031 8.623) 16.557 2.178 ( -8.659 -4.699 1.740) 10.004 2.444 ( 1.756 -1.040 7.800) 8.062 2.754 ( 1.969 -7.392 2.889) 8.177 2.844 ( 5.272 -11.040 5.745) 13.516 3.432 ( -1.820 -5.206 5.399) 7.717 3.777 ( 0.839 -2.497 13.834) 14.082 3.802 ( -13.093 6.154 0.231) 14.469 3.891 ( -1.842 3.873 21.072) 21.504 4.550 ( 5.088 4.763 -4.168) 8.121 4.762 ( -0.531 -1.679 -0.915) 1.984 5.106 ( -0.329 -1.364 -5.923) 6.087 5.532 ( 0.955 -0.751 -8.065) 8.156 6.306 ( 7.581 -3.844 -6.755) 10.857 6.803 ( -0.926 0.776 0.428) 1.282 6.855 ( 0.374 -4.367 -2.987) 5.304 7.194 ( -7.212 -11.035 -1.799) 13.305 7.386 ( 5.129 8.307 0.612) 9.782 7.832 ( -2.969 -6.664 7.078) 10.165 8.217 ( -1.961 -2.160 7.754) 8.284 8.565 ( -4.435 6.049 -2.187) 7.813 9.099 ( 3.371 -1.405 -3.104) 4.793 9.365 ( -12.111 0.081 -7.203) 14.092 9.632 ( 0.443 8.370 4.080) 9.322 10.471 ( -1.702 2.944 -0.812) 3.496 10.573 ( 2.023 -7.233 3.387) 8.239 10.732 ( -0.242 1.057 -2.584) 2.802 11.147 ( -4.483 2.767 -7.772) 9.389 11.548 ( -2.840 -1.056 -4.522) 5.444 11.727 ( 12.437 0.281 -1.377) 12.517 12.026 ( 6.724 5.932 -11.290) 14.418 13.989 ( 0.482 -2.188 16.039) 16.195 14.377 ( -1.814 -1.333 13.172) 13.362 ======================= Grid point 255 (122/275) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -10.063 11.420 11.895) 19.318 1.950 ( -17.469 4.359 5.996) 18.977 2.600 ( 5.708 -7.213 8.091) 12.250 2.896 ( 4.714 -7.809 3.363) 9.721 3.055 ( 3.496 -8.414 2.067) 9.343 3.418 ( -14.708 5.083 13.093) 20.337 3.482 ( -4.608 -1.646 5.354) 7.253 3.888 ( 1.963 -3.321 9.817) 10.548 3.941 ( 0.502 -2.299 14.327) 14.519 4.559 ( 4.577 5.109 -3.117) 7.534 4.823 ( 5.340 -1.197 -1.451) 5.662 5.092 ( 0.105 0.362 -4.004) 4.021 5.522 ( 0.297 0.052 -9.480) 9.484 6.432 ( 2.582 -6.657 -4.000) 8.184 6.703 ( -6.792 0.355 -2.108) 7.121 6.960 ( 2.667 -6.211 -2.916) 7.362 7.208 ( -3.521 -8.544 -0.933) 9.288 7.375 ( 5.053 8.969 0.057) 10.295 7.841 ( -5.512 -3.915 8.208) 10.634 8.214 ( -3.044 2.770 5.485) 6.857 8.410 ( -4.878 3.787 -2.139) 6.536 9.004 ( -11.890 -0.983 -10.427) 15.845 9.308 ( 3.497 -0.129 1.670) 3.877 9.614 ( 4.452 3.738 4.563) 7.390 10.369 ( -3.530 7.998 -1.050) 8.805 10.650 ( -3.013 -5.170 3.222) 6.796 10.705 ( -1.604 -2.206 -1.375) 3.055 11.017 ( -4.240 4.356 -7.179) 9.407 11.454 ( -5.903 -1.173 -6.513) 8.868 11.757 ( 0.561 6.957 -3.892) 7.992 12.214 ( 16.899 -1.161 -8.161) 18.803 14.088 ( 1.734 -5.222 14.307) 15.328 14.411 ( 0.504 -0.526 11.551) 11.574 ======================= Grid point 256 (123/275) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -9.945 9.030 15.218) 20.299 1.615 ( -18.925 5.236 10.442) 22.240 2.726 ( -2.392 -1.176 10.420) 10.755 3.038 ( -4.458 -6.832 2.721) 8.600 3.118 ( 1.981 -3.797 17.384) 17.903 3.251 ( -2.099 -0.102 0.516) 2.163 3.500 ( 0.924 -0.050 6.635) 6.700 3.977 ( 0.258 -5.351 7.682) 9.366 4.023 ( 1.996 -2.365 12.859) 13.226 4.604 ( 8.428 3.773 -2.169) 9.485 4.910 ( 3.546 -1.473 -2.522) 4.594 5.097 ( 2.417 0.508 -2.146) 3.272 5.487 ( -0.361 1.670 -10.190) 10.332 6.437 ( -13.804 -8.339 2.954) 16.396 6.677 ( 4.952 -4.595 -5.175) 8.510 7.029 ( -1.043 -6.034 -4.821) 7.794 7.241 ( -1.290 -3.519 -0.385) 3.768 7.362 ( 4.639 8.004 -0.514) 9.265 7.787 ( -5.790 0.320 6.982) 9.076 8.021 ( -7.466 15.349 -2.267) 17.218 8.362 ( -3.533 -3.772 3.215) 6.086 8.824 ( -8.078 -3.352 -12.484) 15.242 9.384 ( 4.592 0.047 8.343) 9.524 9.713 ( 8.742 0.839 2.582) 9.154 10.197 ( -4.717 9.575 -0.480) 10.685 10.623 ( -5.749 -3.721 1.236) 6.959 10.707 ( -2.939 -3.163 0.986) 4.429 10.886 ( -3.251 5.355 -4.303) 7.600 11.381 ( -2.954 -2.348 -7.227) 8.153 11.651 ( -2.768 6.715 -4.416) 8.500 12.443 ( 11.366 -1.789 -7.214) 13.580 14.223 ( 1.989 -7.023 11.457) 13.585 14.455 ( 1.293 0.652 8.515) 8.637 ======================= Grid point 257 (124/275) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -11.333 2.149 15.108) 19.008 1.369 ( -7.804 6.095 20.450) 22.721 2.622 ( -9.553 4.306 24.326) 26.487 3.041 ( -4.141 -6.408 -3.874) 8.557 3.141 ( -4.078 1.340 2.016) 4.742 3.352 ( 3.718 -8.182 7.622) 11.784 3.529 ( 1.823 4.412 9.622) 10.741 4.033 ( -4.925 -5.896 13.521) 15.551 4.153 ( 12.118 1.490 3.600) 12.729 4.733 ( 9.920 0.848 -0.331) 9.962 4.951 ( 0.474 -2.222 -4.844) 5.350 5.137 ( 3.209 0.960 -1.126) 3.534 5.421 ( -2.008 1.916 -8.852) 9.277 6.273 ( -13.969 -4.181 3.594) 15.017 6.859 ( 4.635 -13.546 -3.965) 14.856 7.038 ( -3.746 -5.526 -3.942) 7.753 7.212 ( -3.267 1.842 -2.648) 4.591 7.345 ( 3.163 6.578 -0.893) 7.354 7.673 ( -4.894 19.818 0.306) 20.416 7.725 ( -7.189 -0.121 3.546) 8.017 8.368 ( -0.574 -3.024 1.873) 3.603 8.743 ( -2.010 -2.071 -13.376) 13.684 9.527 ( 8.426 -1.741 14.000) 16.432 9.864 ( 9.910 0.987 1.217) 10.033 10.047 ( -2.118 6.101 -0.254) 6.463 10.545 ( -9.328 -3.016 3.762) 10.501 10.696 ( -1.851 -2.485 -0.053) 3.099 10.780 ( -2.323 5.056 -0.909) 5.638 11.365 ( -1.141 -4.180 -7.204) 8.406 11.512 ( -3.834 6.122 -4.652) 8.591 12.574 ( 5.295 -1.308 -6.904) 8.798 14.345 ( -0.045 -6.730 9.463) 11.612 14.468 ( -0.498 2.504 4.786) 5.424 ======================= Grid point 259 (125/275) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 1.696 -0.000 20.973) 21.042 1.949 ( 11.854 -0.000 17.680) 21.286 2.637 ( 2.064 -0.000 2.241) 3.047 2.749 ( -5.429 0.000 -5.786) 7.935 2.950 ( 2.811 -0.000 9.142) 9.564 3.334 ( -7.934 0.000 21.805) 23.204 3.368 ( -6.021 0.000 -3.041) 6.746 3.966 ( -3.999 0.000 19.820) 20.219 4.636 ( -3.814 0.000 -1.766) 4.203 4.845 ( -2.651 0.000 -5.193) 5.830 4.925 ( -1.970 0.000 -1.806) 2.673 5.101 ( -7.269 0.000 -6.845) 9.985 5.227 ( 10.412 -0.000 -8.507) 13.446 5.875 ( -6.884 0.000 10.865) 12.862 6.905 ( 2.281 -0.000 -9.411) 9.684 7.065 ( -2.347 0.000 0.249) 2.360 7.180 ( -7.698 0.000 1.983) 7.949 7.185 ( 8.291 -0.000 -2.788) 8.747 7.402 ( 3.855 -0.000 -0.500) 3.887 8.076 ( 9.461 -0.000 0.038) 9.462 8.576 ( 3.850 -0.000 3.741) 5.368 8.876 ( 8.377 -0.000 -6.819) 10.802 10.009 ( -4.316 0.000 4.073) 5.935 10.051 ( 2.254 -0.000 -0.857) 2.411 10.194 ( -4.252 0.000 5.384) 6.861 10.469 ( 7.173 -0.000 -0.964) 7.237 10.570 ( 5.580 -0.000 4.432) 7.126 10.599 ( 3.133 -0.000 -8.009) 8.600 11.359 ( 0.598 -0.000 -10.286) 10.304 11.471 ( 4.927 -0.000 0.515) 4.954 12.520 ( -3.437 0.000 -7.890) 8.606 14.140 ( -7.838 0.000 8.797) 11.782 14.402 ( -4.904 0.000 14.150) 14.975 ======================= Grid point 260 (126/275) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 5.768 -7.606 16.783) 19.308 2.123 ( 1.901 -4.484 16.837) 17.527 2.537 ( -7.217 1.182 -8.033) 10.863 2.660 ( -5.337 -0.663 -3.742) 6.552 3.145 ( -6.620 11.270 5.685) 14.254 3.209 ( 17.196 0.029 15.334) 23.040 3.353 ( -5.451 -7.301 11.422) 14.611 3.945 ( -3.159 2.502 18.716) 19.145 4.552 ( -4.354 2.185 -0.085) 4.872 4.719 ( -9.103 3.648 0.197) 9.808 4.846 ( -7.544 -2.276 -3.624) 8.674 5.018 ( -0.821 -2.163 -10.981) 11.222 5.399 ( 10.848 -0.894 -11.071) 15.525 5.853 ( -0.249 -3.194 9.511) 10.035 6.896 ( 2.930 5.215 -8.472) 10.371 7.008 ( -7.097 -4.733 -0.631) 8.554 7.036 ( -4.082 4.570 0.591) 6.156 7.347 ( 3.818 -6.556 -0.999) 7.653 7.494 ( 5.053 -2.347 1.237) 5.707 8.208 ( 6.332 0.615 1.085) 6.454 8.626 ( 2.388 1.131 3.675) 4.526 8.987 ( 6.958 0.749 -3.388) 7.775 9.855 ( -12.996 -0.093 -2.710) 13.276 10.075 ( -0.459 1.941 -0.427) 2.040 10.165 ( 2.308 1.922 5.076) 5.898 10.447 ( -6.196 -5.203 4.324) 9.173 10.674 ( 7.726 0.668 -6.693) 10.244 10.878 ( 22.859 -1.258 -0.184) 22.894 11.338 ( 0.980 0.638 -11.458) 11.517 11.542 ( 1.940 -1.442 0.960) 2.601 12.420 ( -4.218 2.523 -9.730) 10.901 14.050 ( -4.271 3.201 12.601) 13.685 14.356 ( -6.692 -1.985 14.367) 15.972 ======================= Grid point 261 (127/275) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 8.202 -11.842 10.761) 17.980 2.203 ( -4.290 -7.150 7.866) 11.463 2.444 ( -2.529 -2.213 3.451) 4.817 2.572 ( -3.424 3.011 1.233) 4.723 2.921 ( -7.496 9.736 2.153) 12.474 3.309 ( -5.066 -4.929 8.353) 10.942 3.565 ( 13.226 -0.545 13.628) 18.999 3.920 ( -1.695 2.821 14.832) 15.193 4.379 ( -12.354 8.731 4.236) 15.710 4.589 ( -1.432 0.222 -1.119) 1.831 4.740 ( -7.598 -3.886 -3.902) 9.384 5.035 ( 2.562 -2.157 -9.457) 10.033 5.498 ( 3.948 -0.300 -7.183) 8.202 5.990 ( 8.106 -6.153 0.514) 10.189 6.839 ( -1.052 4.221 -3.380) 5.509 6.931 ( -6.766 -0.830 1.426) 6.965 6.976 ( -2.524 -4.838 -5.120) 7.483 7.437 ( 1.083 -3.322 0.347) 3.511 7.605 ( 3.317 -3.928 3.966) 6.493 8.259 ( 2.241 3.733 3.263) 5.441 8.662 ( 1.924 0.176 2.043) 2.812 9.058 ( 5.363 2.675 -2.228) 6.394 9.618 ( -14.100 0.287 -5.409) 15.105 9.979 ( -2.233 9.856 2.632) 10.443 10.256 ( 3.121 -5.861 1.950) 6.921 10.446 ( -2.872 -6.089 3.925) 7.793 10.762 ( 6.261 1.914 -5.585) 8.606 11.205 ( 5.743 -2.637 -1.916) 6.603 11.378 ( 17.991 2.273 -10.404) 20.907 11.560 ( -2.973 -2.966 0.252) 4.207 12.287 ( -3.201 5.137 -11.393) 12.901 14.004 ( -1.431 4.108 15.278) 15.885 14.315 ( -6.429 -3.594 14.425) 16.196 ======================= Grid point 262 (128/275) ======================= q-point: (-0.56 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 2.785 -8.968 5.177) 10.722 2.193 ( -3.798 -0.359 3.996) 5.524 2.490 ( -0.511 -0.414 5.799) 5.836 2.533 ( 1.539 -3.508 11.243) 11.878 2.740 ( -6.006 1.690 2.490) 6.718 3.313 ( -3.462 -6.006 4.514) 8.272 3.735 ( 3.508 -0.476 11.087) 11.638 3.901 ( -3.207 1.984 2.990) 4.812 4.067 ( -12.685 11.012 16.277) 23.391 4.602 ( 0.884 -0.511 -2.047) 2.287 4.697 ( 0.002 -3.703 -3.414) 5.037 5.077 ( 2.915 -0.953 -7.129) 7.761 5.517 ( 0.560 -0.291 -4.377) 4.422 6.196 ( 8.948 -5.718 -6.932) 12.681 6.778 ( -6.336 -4.663 -2.659) 8.304 6.832 ( -4.985 0.743 3.003) 5.867 7.001 ( 1.117 -3.793 -4.571) 6.044 7.469 ( -0.538 -2.070 1.522) 2.625 7.697 ( 0.507 -4.346 6.738) 8.034 8.236 ( -0.085 4.532 4.733) 6.553 8.670 ( -0.012 2.909 -0.280) 2.923 9.105 ( 3.917 1.753 -4.194) 6.000 9.387 ( -10.152 1.895 -4.107) 11.114 9.836 ( -2.739 9.954 4.009) 11.075 10.363 ( -0.465 -8.489 0.288) 8.507 10.500 ( 1.784 -3.239 3.590) 5.153 10.787 ( 1.505 3.577 -4.042) 5.603 11.170 ( -4.083 -0.014 -8.053) 9.030 11.500 ( -6.635 -3.223 -3.532) 8.179 11.732 ( 21.585 0.359 -2.854) 21.775 12.165 ( 0.479 6.149 -12.087) 13.569 13.994 ( -0.650 2.495 16.323) 16.525 14.315 ( -3.536 -4.211 14.240) 15.265 ======================= Grid point 263 (129/275) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -11.569 1.918 4.967) 12.736 2.091 ( -4.510 11.584 8.776) 15.217 2.503 ( 2.933 -0.097 6.064) 6.736 2.705 ( 3.056 -11.148 3.780) 12.162 2.783 ( 2.050 -12.888 7.645) 15.124 3.354 ( -0.525 -6.070 2.301) 6.513 3.645 ( -14.895 10.423 5.645) 19.036 3.788 ( -2.145 -2.746 10.921) 11.464 3.987 ( 1.337 3.271 16.213) 16.594 4.612 ( 1.153 -1.131 -1.786) 2.408 4.779 ( 5.246 -2.336 -3.599) 6.777 5.104 ( 2.345 0.862 -5.001) 5.590 5.511 ( -0.077 -0.520 -4.783) 4.812 6.323 ( 2.377 -3.650 -7.507) 8.680 6.666 ( -12.643 -6.220 -0.379) 14.095 6.838 ( 2.167 -3.349 -1.665) 4.322 7.064 ( 2.842 -3.315 -1.633) 4.661 7.487 ( 0.270 -1.339 2.013) 2.432 7.744 ( -2.272 -3.147 8.027) 8.916 8.205 ( -0.938 1.947 5.560) 5.965 8.595 ( -0.608 8.382 -3.145) 8.973 9.026 ( -9.652 2.304 -7.912) 12.692 9.324 ( 5.462 2.088 0.842) 5.908 9.727 ( -0.198 6.564 4.398) 7.903 10.414 ( -2.828 -5.758 -1.091) 6.507 10.572 ( 2.216 -0.971 3.355) 4.136 10.709 ( -4.744 3.188 -2.233) 6.136 11.077 ( -3.541 1.253 -8.781) 9.551 11.402 ( -7.437 -3.357 -5.921) 10.081 11.916 ( 4.341 6.957 -3.960) 9.106 12.194 ( 12.589 -0.411 -9.527) 15.792 14.022 ( 0.126 -0.823 15.423) 15.445 14.362 ( -0.805 -3.721 13.573) 14.097 ======================= Grid point 264 (130/275) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -16.437 6.607 9.196) 19.960 1.857 ( -7.136 16.386 10.872) 20.919 2.622 ( 3.494 -6.808 5.195) 9.249 2.862 ( 1.627 -8.772 2.773) 9.342 2.995 ( 2.599 -11.975 2.464) 12.499 3.328 ( -11.510 9.960 15.947) 22.046 3.447 ( 2.275 -4.680 4.515) 6.889 3.807 ( -5.059 -6.407 13.274) 15.583 4.053 ( 5.993 2.008 9.804) 11.665 4.666 ( 5.646 0.792 -1.412) 5.873 4.862 ( 2.387 -2.812 -4.132) 5.539 5.116 ( 2.739 1.525 -3.458) 4.668 5.502 ( 0.084 -0.174 -6.154) 6.157 6.303 ( -7.997 -3.067 -1.152) 8.642 6.560 ( -7.541 -7.923 -2.899) 11.315 6.902 ( 0.123 -4.778 -4.988) 6.908 7.146 ( 2.335 -3.572 0.739) 4.331 7.523 ( 3.997 2.409 1.478) 4.896 7.736 ( -4.140 -1.978 6.515) 7.968 8.186 ( -2.917 -0.055 5.569) 6.287 8.475 ( 1.706 13.253 -4.291) 14.034 8.802 ( -9.732 2.384 -8.136) 12.907 9.416 ( 6.879 2.507 3.654) 8.183 9.737 ( 5.965 1.751 2.504) 6.702 10.370 ( -4.991 2.526 -1.087) 5.699 10.547 ( -5.984 0.155 1.157) 6.097 10.649 ( -1.118 -2.416 0.243) 2.673 10.981 ( -2.739 2.928 -7.582) 8.576 11.319 ( -5.134 -3.377 -6.410) 8.880 11.822 ( -1.604 8.678 -5.583) 10.443 12.392 ( 9.951 -2.849 -6.702) 12.331 14.097 ( 0.798 -4.152 12.910) 13.585 14.429 ( 0.052 -2.823 12.111) 12.435 ======================= Grid point 265 (131/275) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -11.231 6.249 14.344) 19.260 1.611 ( -5.437 15.678 14.058) 21.749 2.719 ( -1.355 -0.416 8.657) 8.772 2.912 ( -3.481 -3.198 1.982) 5.125 3.099 ( -3.224 -4.784 15.254) 16.309 3.195 ( -1.809 -3.858 -4.272) 6.033 3.554 ( 1.827 -2.574 12.067) 12.473 3.851 ( -4.737 -9.126 16.924) 19.803 4.192 ( 11.637 1.866 4.799) 12.725 4.760 ( 7.149 1.163 -0.810) 7.289 4.891 ( -0.627 -2.974 -5.345) 6.149 5.152 ( 3.927 0.630 -2.656) 4.783 5.470 ( -1.424 1.681 -6.798) 7.146 6.163 ( -12.279 -3.833 3.554) 13.345 6.591 ( -0.744 -11.269 -4.520) 12.164 6.909 ( -4.352 -5.744 -4.137) 8.309 7.199 ( -0.054 -1.765 1.402) 2.255 7.532 ( 2.861 8.421 0.269) 8.897 7.712 ( -2.933 -1.299 3.759) 4.942 8.101 ( -2.363 10.151 -0.816) 10.454 8.354 ( -0.091 8.734 1.157) 8.810 8.685 ( -0.785 -1.750 -10.910) 11.077 9.525 ( 8.805 1.968 7.655) 11.833 9.869 ( 9.874 -0.269 -0.169) 9.879 10.225 ( -4.640 7.346 1.038) 8.751 10.450 ( -9.424 -4.273 1.819) 10.506 10.656 ( -0.703 -1.249 -0.410) 1.491 10.892 ( -1.551 4.497 -4.155) 6.316 11.275 ( -3.092 -4.074 -5.956) 7.851 11.675 ( -2.931 8.491 -5.810) 10.698 12.522 ( 4.278 -3.381 -6.044) 8.140 14.190 ( -0.792 -6.595 9.913) 11.933 14.479 ( -0.744 -1.379 10.145) 10.265 ======================= Grid point 266 (132/275) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 3.951 4.833 18.424) 19.453 1.442 ( -0.282 11.348 17.754) 21.073 2.632 ( -5.857 7.790 22.540) 24.557 2.903 ( -3.278 -4.380 -5.206) 7.552 3.095 ( -3.120 0.316 1.596) 3.519 3.245 ( -3.772 -12.105 1.791) 12.805 3.589 ( -2.886 1.051 12.421) 12.795 3.923 ( -4.340 -7.679 19.044) 20.988 4.412 ( 15.880 0.924 -0.273) 15.910 4.837 ( 1.299 -1.984 -1.062) 2.598 4.900 ( 0.478 -1.973 -4.333) 4.785 5.191 ( 2.379 1.288 -2.744) 3.853 5.378 ( -4.285 3.169 -6.616) 8.495 6.050 ( -8.495 -4.249 5.328) 10.890 6.738 ( 3.427 -13.528 -3.943) 14.502 6.882 ( -5.208 -6.519 -3.629) 9.099 7.187 ( -1.409 2.174 1.729) 3.114 7.456 ( 0.047 7.833 -1.497) 7.975 7.619 ( -7.984 5.818 1.431) 9.982 7.943 ( 6.233 18.594 -2.424) 19.760 8.355 ( 2.703 -3.575 2.703) 5.234 8.710 ( 4.449 -0.922 -11.477) 12.343 9.712 ( 11.958 -0.674 8.288) 14.565 10.037 ( 10.113 0.091 -0.569) 10.129 10.106 ( -0.276 6.628 1.897) 6.900 10.351 ( -9.739 -5.011 5.042) 12.057 10.648 ( -1.685 -0.890 -1.010) 2.157 10.794 ( -3.459 5.560 -2.176) 6.901 11.280 ( -0.161 -4.677 -5.004) 6.851 11.531 ( -1.730 7.412 -6.111) 9.760 12.576 ( 0.322 -3.114 -6.020) 6.785 14.249 ( -4.580 -7.568 7.293) 11.465 14.481 ( -2.478 1.148 9.924) 10.293 ======================= Grid point 269 (133/275) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 8.825 -0.000 14.802) 17.233 2.117 ( -3.849 0.000 10.308) 11.003 2.426 ( -3.779 0.000 -0.009) 3.779 2.594 ( -2.442 0.000 0.260) 2.456 3.122 ( -7.852 0.000 -1.275) 7.955 3.178 ( -7.306 0.000 12.941) 14.861 3.561 ( 14.909 -0.000 13.578) 20.165 3.951 ( -3.185 0.000 13.585) 13.953 4.532 ( -0.931 0.000 0.830) 1.248 4.547 ( -13.775 0.000 4.414) 14.465 4.682 ( -7.416 0.000 -6.759) 10.034 5.012 ( 4.033 -0.000 -9.899) 10.689 5.496 ( 4.284 -0.000 -6.565) 7.839 5.919 ( 8.700 -0.000 1.365) 8.806 6.815 ( -11.466 0.000 -1.751) 11.599 6.959 ( 3.985 -0.000 -7.215) 8.242 6.973 ( -6.607 0.000 1.633) 6.806 7.362 ( 1.682 -0.000 1.879) 2.522 7.570 ( 4.278 -0.000 2.150) 4.787 8.313 ( 4.692 -0.000 2.102) 5.142 8.663 ( 1.157 -0.000 2.516) 2.769 9.094 ( 6.194 -0.000 -2.448) 6.660 9.624 ( -13.597 0.000 -3.318) 13.996 10.074 ( -1.021 0.000 -1.031) 1.451 10.263 ( 5.293 -0.000 5.210) 7.427 10.310 ( -7.043 0.000 4.606) 8.416 10.785 ( 7.001 -0.000 -6.009) 9.226 11.175 ( 8.291 -0.000 -1.731) 8.470 11.402 ( 16.408 -0.000 -11.743) 20.177 11.524 ( -3.883 0.000 1.721) 4.247 12.343 ( -3.096 0.000 -11.888) 12.284 14.068 ( -0.445 0.000 14.011) 14.018 14.259 ( -8.391 0.000 15.414) 17.550 ======================= Grid point 270 (134/275) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 9.729 -5.189 10.240) 15.048 2.086 ( -3.611 -4.337 5.272) 7.723 2.424 ( 0.181 -1.136 7.910) 7.993 2.572 ( -1.069 0.488 5.989) 6.103 2.912 ( -7.926 10.973 2.644) 13.792 3.164 ( -5.380 -7.945 5.596) 11.108 3.740 ( 3.457 0.437 10.662) 11.217 3.915 ( -4.260 -0.080 3.670) 5.624 4.297 ( -10.635 9.503 9.010) 16.871 4.508 ( -7.391 -6.850 -0.987) 10.125 4.653 ( 4.781 -0.677 -3.860) 6.182 5.068 ( 5.083 -0.081 -6.875) 8.550 5.519 ( 0.777 0.241 -2.201) 2.347 6.102 ( 11.647 -2.387 -6.508) 13.554 6.633 ( -13.795 -5.193 -1.808) 14.851 6.864 ( -5.424 1.395 1.391) 5.771 7.010 ( 5.286 1.531 -4.746) 7.267 7.388 ( -1.795 -2.974 4.480) 5.669 7.630 ( 0.743 -1.987 4.566) 5.035 8.351 ( 1.677 3.986 3.455) 5.535 8.696 ( 2.478 0.087 0.405) 2.512 9.150 ( 2.106 1.627 -6.292) 6.831 9.431 ( -7.025 1.582 -0.357) 7.210 10.009 ( -4.893 4.354 2.821) 7.131 10.229 ( -2.203 -2.122 0.986) 3.214 10.402 ( 4.408 -4.638 4.104) 7.602 10.850 ( 3.360 1.755 -4.318) 5.746 11.167 ( -3.145 -0.091 -9.040) 9.572 11.435 ( -8.015 -2.039 -0.944) 8.324 11.739 ( 22.822 0.192 -4.821) 23.327 12.261 ( -1.280 2.446 -12.403) 12.706 14.080 ( -0.933 4.933 15.704) 16.487 14.208 ( -5.091 -5.290 15.318) 16.986 ======================= Grid point 271 (135/275) ======================= q-point: (-0.56 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( -1.035 -0.269 5.447) 5.551 2.189 ( 4.961 -5.621 6.505) 9.926 2.460 ( -1.049 -4.089 11.789) 12.522 2.605 ( -0.530 -5.249 7.382) 9.073 2.674 ( -5.179 12.633 4.679) 14.433 3.204 ( -1.237 -8.005 2.089) 8.365 3.743 ( -4.745 0.390 5.009) 6.911 3.823 ( -6.452 2.342 -0.136) 6.866 4.101 ( -3.879 8.430 15.606) 18.156 4.504 ( -2.124 -7.900 -0.174) 8.182 4.746 ( 5.622 -0.873 -3.780) 6.830 5.128 ( 4.740 1.175 -4.235) 6.464 5.513 ( -0.158 0.640 -1.540) 1.676 6.264 ( 6.808 -1.882 -9.332) 11.703 6.474 ( -14.960 -9.129 -1.250) 17.570 6.796 ( -2.751 -1.239 0.664) 3.090 7.072 ( 6.376 2.630 -2.748) 7.424 7.400 ( -2.290 -3.897 5.915) 7.444 7.667 ( -2.141 -4.375 7.030) 8.552 8.313 ( -0.336 6.035 3.538) 7.004 8.724 ( 3.250 3.739 -2.022) 5.351 9.071 ( -6.104 1.571 -8.226) 10.363 9.400 ( 5.837 4.331 2.080) 7.560 9.872 ( -4.880 6.040 4.652) 9.052 10.253 ( -2.076 -6.980 -0.929) 7.342 10.521 ( 3.637 -3.353 2.342) 5.473 10.811 ( -3.062 4.780 -2.311) 6.129 11.081 ( -4.020 -0.645 -10.067) 10.859 11.326 ( -7.552 -3.229 -4.634) 9.430 12.024 ( 12.184 2.797 -3.199) 12.903 12.204 ( 3.393 1.203 -11.551) 12.099 14.045 ( -2.205 2.586 15.927) 16.286 14.268 ( -0.530 -4.678 14.918) 15.643 ======================= Grid point 272 (136/275) ======================= q-point: (-0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -10.801 7.136 8.194) 15.320 2.202 ( -1.723 12.491 9.559) 15.823 2.513 ( -3.448 -1.872 4.140) 5.704 2.629 ( 3.588 -15.005 3.488) 15.818 2.742 ( 4.689 -5.368 7.237) 10.157 3.307 ( 2.308 -7.661 3.567) 8.760 3.577 ( -8.565 9.876 4.013) 13.675 3.726 ( -6.419 -0.873 12.801) 14.346 4.088 ( 3.693 1.461 8.880) 9.728 4.601 ( 3.938 -6.407 0.765) 7.559 4.815 ( 2.872 -1.243 -4.684) 5.633 5.167 ( 3.821 2.858 -2.627) 5.447 5.498 ( -0.350 0.175 -2.567) 2.596 6.286 ( -4.079 0.560 -5.164) 6.604 6.345 ( -11.085 -10.821 -2.634) 15.713 6.798 ( -2.301 -4.931 -2.031) 5.809 7.138 ( 5.748 2.556 -1.305) 6.424 7.454 ( 1.516 -5.091 5.950) 7.976 7.695 ( -2.634 -4.222 7.444) 8.955 8.240 ( -1.994 5.180 2.684) 6.166 8.714 ( 5.383 8.550 -4.834) 11.201 8.906 ( -7.361 5.663 -4.137) 10.167 9.488 ( 8.873 4.202 1.976) 10.014 9.792 ( 0.908 3.033 2.790) 4.220 10.275 ( -5.029 -7.044 -0.644) 8.678 10.593 ( -0.632 -2.889 -0.578) 3.013 10.665 ( -4.110 6.980 -0.914) 8.152 11.002 ( -3.593 -0.941 -9.359) 10.069 11.245 ( -5.080 -3.145 -5.680) 8.244 12.000 ( -1.143 7.540 -6.870) 10.264 12.326 ( 7.971 -3.197 -5.755) 10.338 14.052 ( -0.733 -0.290 14.210) 14.232 14.352 ( 0.018 -3.947 14.334) 14.868 ======================= Grid point 273 (137/275) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -9.778 9.744 12.422) 18.571 1.997 ( -3.508 18.991 9.903) 21.703 2.582 ( 1.187 -8.490 2.002) 8.803 2.815 ( 2.311 -9.346 -0.959) 9.675 2.900 ( 1.728 -9.477 2.322) 9.909 3.333 ( -7.789 11.437 10.426) 17.326 3.441 ( 0.301 -5.608 12.982) 14.145 3.700 ( -4.888 -4.927 17.109) 18.463 4.212 ( 9.839 -0.515 3.018) 10.305 4.737 ( 3.877 -3.958 0.835) 5.603 4.847 ( 2.219 -0.691 -5.049) 5.558 5.186 ( 3.728 2.800 -3.049) 5.571 5.482 ( -1.130 -0.256 -3.210) 3.413 6.133 ( -10.760 -0.292 0.758) 10.790 6.352 ( -2.214 -10.410 -5.110) 11.806 6.781 ( -6.377 -6.093 -2.788) 9.250 7.192 ( 4.002 1.746 -0.935) 4.465 7.584 ( 5.217 -4.299 5.144) 8.495 7.700 ( -2.013 -0.094 4.768) 5.176 8.162 ( -3.119 2.625 2.388) 4.724 8.672 ( -0.185 13.883 -0.744) 13.904 8.730 ( 1.949 6.277 -8.315) 10.599 9.592 ( 8.882 3.788 3.848) 10.395 9.863 ( 8.626 -0.211 -0.895) 8.675 10.225 ( -9.191 -5.576 0.694) 10.773 10.467 ( -7.949 3.850 0.356) 8.840 10.649 ( 2.246 0.929 -3.280) 4.082 10.944 ( -1.535 -0.081 -6.687) 6.861 11.193 ( -3.770 -3.303 -5.171) 7.201 11.859 ( -3.031 8.312 -6.802) 11.160 12.439 ( 2.698 -4.212 -4.311) 6.603 14.090 ( -1.359 -2.587 11.928) 12.281 14.424 ( -0.668 -3.332 13.292) 13.720 ======================= Grid point 274 (138/275) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 5.734 7.883 15.808) 18.572 1.778 ( -1.430 18.564 11.203) 21.730 2.681 ( -0.198 -5.733 -0.546) 5.763 2.902 ( 1.418 1.876 1.975) 3.071 2.964 ( -6.087 -11.092 2.748) 12.947 3.152 ( -5.027 6.353 8.117) 11.468 3.511 ( -4.437 -7.213 14.911) 17.148 3.765 ( -2.339 -6.185 22.136) 23.102 4.414 ( 12.634 -1.456 -1.041) 12.760 4.777 ( -1.950 -3.181 -3.078) 4.837 4.889 ( 2.600 0.678 -1.038) 2.880 5.215 ( 3.589 1.497 -4.463) 5.919 5.436 ( -2.872 1.587 -4.010) 5.181 5.998 ( -6.087 -0.277 3.795) 7.178 6.474 ( 4.171 -11.819 -4.419) 13.290 6.730 ( -6.655 -7.196 -3.024) 10.258 7.221 ( 2.138 1.746 -0.416) 2.791 7.622 ( -1.521 6.694 1.823) 7.103 7.697 ( -0.321 1.057 3.001) 3.198 8.128 ( 0.740 -0.864 2.683) 2.914 8.480 ( -2.336 12.822 0.095) 13.034 8.744 ( 8.608 6.156 -10.374) 14.819 9.734 ( 11.702 2.138 2.997) 12.268 10.020 ( 7.458 -1.595 -2.264) 7.955 10.147 ( -4.905 -4.420 2.942) 7.228 10.314 ( -6.615 3.127 3.416) 8.075 10.649 ( 0.447 1.034 -5.811) 5.919 10.893 ( -2.484 2.982 -3.323) 5.109 11.182 ( -0.380 -4.474 -4.518) 6.369 11.702 ( -2.832 8.192 -6.515) 10.843 12.488 ( -0.998 -4.858 -4.083) 6.424 14.114 ( -4.243 -4.421 10.404) 12.075 14.468 ( -1.894 -2.039 12.328) 12.638 ======================= Grid point 275 (139/275) ======================= q-point: (-0.11 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 2.619 14.746 13.539) 20.189 1.741 ( 18.070 6.784 15.820) 24.956 2.665 ( -3.694 2.365 5.472) 7.013 2.851 ( -1.871 2.820 3.024) 4.539 3.007 ( -7.472 -7.906 -2.339) 11.127 3.064 ( -2.922 -3.077 7.000) 8.186 3.533 ( -5.426 -3.697 14.160) 15.609 3.845 ( -3.585 -5.933 23.381) 24.387 4.595 ( 5.681 -2.864 -5.276) 8.266 4.772 ( -0.892 -3.272 -5.320) 6.310 4.902 ( 0.219 -0.532 3.347) 3.396 5.225 ( 0.837 1.777 -5.861) 6.181 5.332 ( -3.152 4.881 -6.390) 8.636 5.955 ( -2.726 0.148 7.494) 7.976 6.671 ( 3.106 -10.078 -4.891) 11.625 6.759 ( 3.944 -9.032 -3.659) 10.514 7.223 ( 1.202 3.214 1.356) 3.690 7.489 ( -4.923 6.633 -2.395) 8.601 7.613 ( -2.466 8.189 2.554) 8.926 8.159 ( 2.789 7.074 0.740) 7.640 8.405 ( 4.497 1.124 2.540) 5.285 8.803 ( 8.056 3.235 -9.378) 12.780 9.915 ( 10.768 0.759 -1.875) 10.956 10.051 ( -5.800 -7.718 4.793) 10.779 10.192 ( -1.489 4.727 3.888) 6.299 10.285 ( 10.744 -0.998 1.223) 10.860 10.614 ( -0.835 0.523 -8.676) 8.732 10.767 ( -6.247 5.600 0.577) 8.410 11.254 ( 4.090 -4.082 -3.902) 6.972 11.572 ( -0.699 6.753 -6.182) 9.182 12.495 ( -2.984 -4.948 -4.874) 7.559 14.102 ( -7.007 -5.402 10.172) 13.481 14.470 ( -3.238 -0.033 12.313) 12.731 ======================= Grid point 279 (140/275) ======================= q-point: ( 0.33 -0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 10.464 -0.000 8.349) 13.386 2.040 ( -0.402 0.000 6.342) 6.355 2.456 ( 1.119 -0.000 8.355) 8.430 2.535 ( -7.565 0.000 9.735) 12.329 2.906 ( -3.774 0.000 8.389) 9.199 3.044 ( -2.010 0.000 0.168) 2.017 3.757 ( -4.407 0.000 10.138) 11.055 3.824 ( -4.695 0.000 -6.976) 8.409 4.298 ( -8.515 0.000 -2.653) 8.919 4.322 ( -0.225 0.000 13.639) 13.641 4.736 ( 5.578 -0.000 -3.203) 6.432 5.143 ( 5.545 -0.000 -3.599) 6.610 5.524 ( 0.035 -0.000 -0.626) 0.627 6.245 ( 9.156 -0.000 -9.488) 13.185 6.361 ( -15.247 0.000 -1.446) 15.316 6.783 ( -5.125 0.000 -0.129) 5.127 7.111 ( 6.852 -0.000 -1.382) 6.990 7.359 ( -1.631 0.000 7.603) 7.776 7.607 ( -3.365 0.000 5.156) 6.157 8.387 ( -1.280 0.000 3.796) 4.006 8.763 ( 5.681 -0.000 -1.359) 5.841 9.089 ( -5.232 0.000 -9.454) 10.805 9.459 ( 6.053 -0.000 3.667) 7.078 9.940 ( -7.058 0.000 4.180) 8.203 10.175 ( -2.006 0.000 -1.084) 2.280 10.473 ( 4.684 -0.000 2.362) 5.246 10.871 ( -1.373 0.000 -2.141) 2.543 11.068 ( -5.535 0.000 -11.180) 12.475 11.288 ( -7.034 0.000 -3.687) 7.942 12.049 ( 16.171 -0.000 -3.148) 16.475 12.223 ( -1.190 0.000 -12.090) 12.148 14.094 ( -5.782 0.000 16.187) 17.189 14.197 ( 2.287 -0.000 15.224) 15.395 ======================= Grid point 281 (141/275) ======================= q-point: (-0.56 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -0.807 7.663 7.288) 10.606 2.242 ( 7.307 -8.060 5.600) 12.236 2.386 ( -10.331 -2.926 9.626) 14.421 2.502 ( -2.073 -1.808 8.657) 9.083 2.835 ( 2.484 11.384 9.382) 14.959 3.119 ( 1.959 -9.708 0.314) 9.908 3.671 ( -7.268 1.189 8.075) 10.929 3.762 ( -1.659 1.080 -3.926) 4.397 4.147 ( -3.560 3.849 2.527) 5.820 4.452 ( 5.729 -5.769 7.968) 11.384 4.800 ( 3.157 -0.342 -3.692) 4.870 5.216 ( 4.804 1.286 -0.834) 5.042 5.512 ( -0.870 0.732 -1.373) 1.783 6.149 ( -13.726 -5.576 -1.282) 14.870 6.309 ( 1.428 0.733 -8.782) 8.927 6.717 ( -4.073 -2.114 -1.244) 4.755 7.206 ( 6.109 2.470 2.279) 6.972 7.383 ( 1.808 -1.020 6.265) 6.600 7.579 ( -3.901 -4.673 5.460) 8.177 8.341 ( -3.019 2.875 2.219) 4.723 8.846 ( 6.833 3.421 -2.260) 7.969 8.993 ( -2.902 2.077 -5.293) 6.383 9.579 ( 9.083 3.287 2.901) 10.086 9.838 ( -4.885 0.630 3.355) 5.959 10.158 ( -2.420 -2.847 -1.635) 4.078 10.533 ( 0.573 -2.040 -1.233) 2.451 10.792 ( -3.986 4.315 -1.300) 6.016 10.954 ( -5.973 -2.747 -10.552) 12.432 11.199 ( -3.651 -1.034 -5.113) 6.368 12.135 ( -1.053 4.656 -9.288) 10.442 12.257 ( 6.764 -3.069 -3.494) 8.208 14.064 ( -2.438 0.791 15.126) 15.341 14.280 ( 1.054 -2.122 15.009) 15.195 ======================= Grid point 282 (142/275) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -7.255 12.280 9.379) 17.070 2.331 ( 0.248 7.804 9.605) 12.378 2.415 ( -1.460 -8.176 2.658) 8.720 2.533 ( 0.448 -9.706 6.428) 11.650 2.843 ( 5.753 3.470 4.010) 7.825 3.253 ( 0.362 -8.509 1.092) 8.587 3.577 ( -4.968 1.412 12.710) 13.719 3.673 ( -4.675 7.129 9.035) 12.422 4.160 ( 4.397 -4.141 -1.003) 6.123 4.641 ( 7.636 -3.632 4.092) 9.394 4.835 ( 2.531 -0.756 -3.689) 4.537 5.259 ( 3.583 3.225 -0.004) 4.821 5.476 ( -2.023 0.122 -1.889) 2.770 6.037 ( -8.959 -8.000 -1.221) 12.072 6.249 ( -3.566 0.513 -5.920) 6.930 6.673 ( -5.225 -3.494 -2.383) 6.722 7.264 ( 4.875 4.349 1.491) 6.701 7.478 ( 4.909 -3.906 6.303) 8.893 7.620 ( -0.886 -6.463 4.693) 8.036 8.254 ( -2.854 4.592 0.008) 5.407 8.887 ( -3.627 7.485 1.227) 8.408 8.900 ( 7.571 6.627 -4.248) 10.921 9.676 ( 6.960 3.946 2.483) 8.377 9.845 ( 4.758 -2.303 -0.333) 5.297 10.119 ( -6.198 -2.794 -0.351) 6.808 10.504 ( -5.364 -0.203 -3.034) 6.166 10.703 ( 0.702 3.659 -4.787) 6.066 10.890 ( -3.295 -4.299 -7.625) 9.353 11.147 ( -3.020 -1.067 -4.093) 5.197 12.016 ( -3.100 6.012 -8.631) 10.965 12.351 ( 1.320 -3.750 -1.749) 4.343 14.069 ( -1.595 0.170 13.280) 13.376 14.353 ( -0.346 -2.872 14.560) 14.845 ======================= Grid point 283 (143/275) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 4.183 10.644 11.794) 16.428 2.182 ( -1.657 17.482 9.254) 19.849 2.525 ( 2.581 -7.390 1.119) 7.908 2.667 ( -2.800 -13.370 0.878) 13.688 2.926 ( 4.964 -0.082 -0.869) 5.040 3.263 ( -7.731 -4.097 1.901) 8.954 3.495 ( -2.791 11.787 19.453) 22.916 3.636 ( -2.472 -6.267 20.613) 21.686 4.323 ( 7.289 -7.345 -4.045) 11.111 4.731 ( 1.063 -0.338 -1.792) 2.111 4.901 ( 3.623 -0.361 -0.089) 3.642 5.267 ( 2.870 3.335 -3.143) 5.408 5.445 ( -1.766 -0.441 -0.488) 1.885 5.997 ( -3.067 -1.703 0.321) 3.523 6.240 ( 1.173 -8.463 -4.014) 9.439 6.609 ( -5.737 -3.421 -3.175) 7.395 7.285 ( 3.578 4.228 -1.200) 5.667 7.642 ( 5.820 -4.620 6.331) 9.762 7.680 ( -0.034 -2.473 4.357) 5.010 8.158 ( -2.269 4.341 -0.801) 4.964 8.720 ( -4.280 10.686 2.820) 11.851 8.937 ( 7.977 8.528 -5.096) 12.741 9.775 ( 8.923 0.920 -1.572) 9.107 9.943 ( -3.976 -4.739 1.519) 6.369 10.077 ( 4.656 -1.118 0.047) 4.788 10.383 ( -5.851 2.963 -0.024) 6.558 10.684 ( 1.337 1.769 -10.405) 10.639 10.894 ( -0.267 -3.335 -4.841) 5.885 11.105 ( -1.974 -1.923 -2.665) 3.834 11.869 ( -3.524 7.053 -7.407) 10.818 12.381 ( -2.386 -4.786 -1.367) 5.520 14.065 ( -3.495 -0.411 12.058) 12.561 14.408 ( -1.549 -3.109 13.979) 14.404 ======================= Grid point 284 (144/275) ======================= q-point: (-0.22 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 16.723 8.067 12.531) 22.400 2.010 ( 2.651 17.370 9.353) 19.905 2.622 ( 0.815 -4.503 -2.914) 5.426 2.712 ( -8.564 -11.826 -0.142) 14.602 2.978 ( 4.180 2.228 -3.752) 6.043 3.138 ( -9.083 3.199 9.678) 13.653 3.437 ( -2.773 0.491 21.728) 21.909 3.730 ( -2.345 -5.411 23.134) 23.874 4.480 ( 2.320 -7.974 -6.107) 10.309 4.730 ( -0.287 -0.595 -4.852) 4.897 4.909 ( -1.101 1.119 2.904) 3.301 5.269 ( 1.956 2.181 -6.958) 7.549 5.408 ( -1.291 2.110 -2.038) 3.205 5.986 ( 1.121 2.098 4.551) 5.135 6.448 ( 9.678 -12.706 -3.462) 16.343 6.572 ( -2.096 -5.286 -4.332) 7.148 7.285 ( 2.214 3.571 -2.006) 4.656 7.656 ( -3.116 6.293 2.356) 7.406 7.727 ( 0.732 1.963 3.674) 4.229 8.143 ( 2.395 -2.473 3.083) 4.621 8.568 ( -1.106 9.630 2.388) 9.983 8.942 ( 6.403 8.819 -6.631) 12.757 9.851 ( -7.719 -8.208 -2.864) 11.626 9.955 ( 9.554 0.838 1.276) 9.675 10.237 ( 2.182 -2.832 5.539) 6.593 10.298 ( 6.924 4.485 -2.130) 8.520 10.633 ( -1.292 0.927 -14.417) 14.505 10.864 ( -3.536 2.827 0.483) 4.552 11.157 ( 4.725 -4.748 -3.690) 7.647 11.723 ( -2.485 7.025 -6.505) 9.891 12.376 ( -4.465 -5.730 -1.990) 7.532 14.030 ( -5.748 -1.210 12.159) 13.504 14.442 ( -2.663 -2.393 13.482) 13.949 ======================= Grid point 285 (145/275) ======================= q-point: (-0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 3.969 17.248 9.256) 19.973 2.166 ( 18.742 6.541 13.008) 23.733 2.608 ( -4.000 -0.300 -5.390) 6.718 2.672 ( -9.656 -10.475 -1.597) 14.336 2.989 ( -7.242 -0.586 4.348) 8.467 3.039 ( 7.179 5.151 9.396) 12.897 3.467 ( -2.871 -1.934 18.490) 18.811 3.795 ( -3.500 -4.603 23.519) 24.220 4.521 ( -3.805 -5.674 -5.947) 9.058 4.688 ( -5.616 -3.248 -3.584) 7.412 4.913 ( 0.157 -0.716 2.321) 2.434 5.209 ( -3.173 3.566 -7.161) 8.606 5.386 ( 5.110 3.890 -8.614) 10.744 5.990 ( 1.006 4.198 7.536) 8.685 6.604 ( 2.991 -6.292 -5.718) 9.013 6.777 ( 10.634 -10.957 -2.866) 15.536 7.277 ( 1.347 1.564 -0.516) 2.127 7.469 ( -7.185 10.043 -0.971) 12.386 7.696 ( 1.149 6.948 2.733) 7.554 8.218 ( 0.549 -0.341 4.586) 4.632 8.522 ( 4.690 4.241 2.614) 6.842 8.936 ( 4.464 4.622 -5.804) 8.659 9.831 ( -6.228 -10.789 1.478) 12.545 10.039 ( -1.542 1.859 -4.836) 5.405 10.225 ( 3.285 3.092 2.732) 5.274 10.492 ( 9.333 -1.338 -1.719) 9.584 10.604 ( 6.213 -0.900 -8.648) 10.687 10.764 ( -0.707 6.868 1.064) 6.986 11.279 ( 4.531 -3.247 -4.316) 7.049 11.619 ( 0.364 5.295 -5.586) 7.705 12.353 ( -5.459 -6.472 -4.157) 9.433 13.983 ( -6.093 -2.271 13.257) 14.766 14.443 ( -3.872 -0.730 13.334) 13.904 ======================= Grid point 290 (146/275) ======================= q-point: ( 0.44 -0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -11.253 0.000 4.525) 12.129 2.163 ( 4.634 -0.000 7.911) 9.168 2.352 ( 3.493 -0.000 7.716) 8.470 2.509 ( -1.019 0.000 10.000) 10.052 2.991 ( 0.185 -0.000 20.679) 20.679 3.080 ( 5.300 -0.000 -13.649) 14.642 3.562 ( -9.602 0.000 14.608) 17.482 3.797 ( 4.902 -0.000 -5.455) 7.334 4.091 ( -3.844 0.000 0.083) 3.845 4.603 ( 11.897 -0.000 7.624) 14.130 4.823 ( 1.292 -0.000 -3.692) 3.912 5.296 ( 3.839 -0.000 2.393) 4.524 5.484 ( -2.532 0.000 -2.471) 3.538 5.932 ( -7.998 0.000 -1.521) 8.141 6.264 ( -4.749 0.000 -6.902) 8.378 6.636 ( -3.725 0.000 -1.953) 4.206 7.328 ( 5.639 -0.000 9.306) 10.881 7.457 ( 5.343 -0.000 0.565) 5.373 7.503 ( -2.427 0.000 3.530) 4.284 8.309 ( -2.698 0.000 -0.255) 2.710 8.959 ( 4.245 -0.000 0.828) 4.325 8.990 ( 1.280 -0.000 -1.680) 2.113 9.759 ( 8.994 -0.000 4.437) 10.029 9.769 ( -2.666 0.000 -1.489) 3.054 10.103 ( -2.786 0.000 -0.732) 2.880 10.494 ( -1.834 0.000 -6.215) 6.480 10.780 ( -0.945 0.000 -1.538) 1.805 10.802 ( -5.626 0.000 -10.540) 11.948 11.137 ( -2.415 0.000 -3.711) 4.428 12.091 ( -3.207 0.000 -11.013) 11.470 12.301 ( 0.884 -0.000 0.916) 1.273 14.075 ( -1.665 0.000 13.955) 14.054 14.318 ( -0.165 0.000 14.653) 14.654 ======================= Grid point 292 (147/275) ======================= q-point: (-0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 1.100 9.822 6.348) 11.746 2.334 ( 3.983 -10.208 4.494) 11.843 2.418 ( 1.024 1.491 7.312) 7.533 2.500 ( -1.645 1.185 9.784) 9.992 2.986 ( 2.616 5.806 7.028) 9.484 3.146 ( -3.199 -5.456 -5.550) 8.414 3.502 ( -4.526 -4.741 18.173) 19.319 3.786 ( 0.915 12.110 5.811) 13.463 4.120 ( 1.499 -10.074 -2.357) 10.454 4.770 ( 4.939 3.558 -0.770) 6.136 4.857 ( 4.288 -3.589 -0.903) 5.664 5.344 ( 2.265 3.049 2.535) 4.567 5.428 ( -2.791 -0.956 -1.039) 3.128 5.903 ( 2.085 -4.343 -1.942) 5.194 6.156 ( -5.447 -0.837 -4.655) 7.214 6.580 ( -2.734 -0.075 -2.654) 3.811 7.397 ( 4.062 5.979 2.808) 7.755 7.547 ( 5.332 -4.215 9.856) 11.973 7.570 ( 2.865 -5.182 -0.860) 5.984 8.252 ( -2.235 2.893 -2.608) 4.490 8.933 ( -2.730 7.974 4.622) 9.613 9.036 ( 4.423 0.342 0.450) 4.459 9.751 ( 0.826 -2.034 -8.549) 8.826 9.895 ( 3.772 0.040 6.814) 7.789 10.063 ( 0.040 -0.493 1.661) 1.733 10.452 ( 0.378 3.044 -8.096) 8.657 10.710 ( -0.311 0.570 -11.262) 11.281 10.786 ( -1.128 -4.678 -5.044) 6.971 11.094 ( -1.950 0.120 -0.763) 2.097 11.987 ( -3.687 3.382 -9.349) 10.604 12.297 ( -3.287 -2.565 1.665) 4.489 14.075 ( -2.696 0.686 12.942) 13.237 14.352 ( -1.616 -1.691 14.409) 14.597 ======================= Grid point 293 (148/275) ======================= q-point: (-0.33 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 13.846 7.194 8.446) 17.742 2.350 ( -0.672 11.862 8.586) 14.659 2.492 ( -2.301 -8.397 3.108) 9.244 2.526 ( 2.622 -3.261 2.933) 5.110 3.008 ( 3.666 1.514 -4.730) 6.173 3.074 ( -9.415 -4.396 7.556) 12.847 3.577 ( -2.355 -4.470 18.153) 18.843 3.670 ( 0.440 12.027 15.969) 19.996 4.265 ( 1.431 -11.561 -4.608) 12.528 4.742 ( -2.254 1.439 -4.457) 5.198 4.932 ( 1.176 0.544 -0.215) 1.314 5.313 ( -0.233 1.954 -4.481) 4.894 5.430 ( 0.020 0.074 3.134) 3.135 6.014 ( 4.153 0.256 -0.368) 4.177 6.178 ( 6.634 -10.387 -3.358) 12.774 6.541 ( 0.090 1.131 -3.372) 3.558 7.388 ( 2.757 5.905 -1.795) 6.760 7.664 ( 2.539 -3.827 0.155) 4.596 7.718 ( 4.685 -3.040 12.455) 13.650 8.166 ( -1.869 3.722 -3.428) 5.394 8.782 ( -4.076 9.973 5.534) 12.112 9.093 ( 4.310 3.378 -0.736) 5.525 9.708 ( -8.100 -3.935 -6.437) 11.069 9.976 ( 9.134 0.891 2.621) 9.544 10.150 ( 1.940 -4.579 4.929) 7.002 10.414 ( 5.675 5.920 -7.901) 11.387 10.647 ( -2.940 0.702 -15.487) 15.779 10.845 ( 1.347 -5.112 -3.035) 6.096 11.091 ( 2.755 -0.686 -0.565) 2.895 11.859 ( -3.341 5.274 -7.335) 9.632 12.264 ( -5.776 -4.426 1.041) 7.351 14.039 ( -4.439 1.499 12.870) 13.697 14.381 ( -2.548 -2.828 14.233) 14.733 ======================= Grid point 294 (149/275) ======================= q-point: (-0.22 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 5.767 9.646 8.379) 14.018 2.304 ( 13.753 7.690 8.878) 18.086 2.463 ( -9.040 -5.790 2.940) 11.130 2.605 ( 1.641 -0.755 -3.527) 3.963 2.950 ( -8.943 -3.619 0.478) 9.659 3.107 ( 6.143 0.328 6.224) 8.751 3.543 ( -0.207 9.104 20.471) 22.405 3.702 ( -1.733 -3.534 20.583) 20.956 4.364 ( -1.110 -8.882 -6.698) 11.179 4.638 ( -9.423 -1.426 -2.738) 9.915 4.919 ( -0.353 1.265 0.221) 1.332 5.271 ( -1.920 1.714 -5.666) 6.224 5.440 ( 3.128 1.435 -3.463) 4.882 6.051 ( 2.705 0.880 1.224) 3.097 6.487 ( 11.994 -11.528 -2.776) 16.866 6.562 ( 6.489 -0.423 -3.104) 7.206 7.344 ( -0.248 4.952 -3.231) 5.918 7.677 ( -3.424 6.475 2.554) 7.757 7.780 ( 1.882 1.497 5.748) 6.231 8.162 ( 2.253 -2.655 2.968) 4.576 8.657 ( -0.922 7.041 3.846) 8.076 9.079 ( 1.584 7.274 -2.637) 7.898 9.620 ( -7.465 -7.710 -1.022) 10.780 10.091 ( -1.607 2.883 -4.674) 5.722 10.215 ( 6.972 -4.233 0.778) 8.194 10.515 ( 9.170 3.723 -0.317) 9.902 10.556 ( 0.370 -3.133 -12.841) 13.223 10.870 ( 1.517 1.922 -1.328) 2.785 11.203 ( 7.412 -3.131 -4.119) 9.039 11.737 ( -2.025 5.457 -6.005) 8.363 12.214 ( -7.331 -6.104 -0.783) 9.572 13.979 ( -4.840 1.645 13.826) 14.741 14.404 ( -3.198 -2.688 13.994) 14.604 ======================= Grid point 295 (150/275) ======================= q-point: (-0.11 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 3.338 13.440 7.125) 15.573 2.372 ( -10.524 -6.350 2.431) 12.529 2.515 ( 8.487 3.193 5.880) 10.807 2.581 ( 0.714 3.790 -1.527) 4.148 2.846 ( -8.312 -2.597 5.292) 10.190 3.263 ( 11.829 1.513 5.637) 13.190 3.529 ( 1.536 6.174 19.583) 20.591 3.762 ( -2.099 -3.945 20.499) 20.980 4.356 ( -9.374 -4.803 -3.388) 11.064 4.517 ( -6.013 -5.916 -2.398) 8.770 4.888 ( -3.291 0.111 -0.145) 3.296 5.184 ( -2.509 3.654 -6.155) 7.585 5.479 ( 5.184 1.423 -9.122) 10.588 6.093 ( 4.783 3.207 0.924) 5.832 6.625 ( 6.228 -1.600 -2.804) 7.015 6.827 ( 9.304 -8.242 -2.685) 12.717 7.283 ( -0.826 -0.301 -2.350) 2.510 7.471 ( -7.563 12.052 0.389) 14.233 7.802 ( 2.307 5.004 4.845) 7.338 8.224 ( -0.284 -0.844 6.396) 6.458 8.627 ( 1.870 2.298 2.010) 3.581 9.010 ( 0.573 4.912 -2.518) 5.549 9.640 ( -2.947 -10.792 0.768) 11.214 9.898 ( -13.530 1.847 -8.209) 15.933 10.384 ( 9.741 3.215 -3.610) 10.874 10.502 ( -0.089 -1.799 -1.714) 2.486 10.693 ( 2.552 -0.443 4.234) 4.963 10.964 ( 18.193 1.035 -7.445) 19.685 11.300 ( 2.329 0.007 -4.376) 4.957 11.664 ( 1.033 3.441 -4.763) 5.966 12.160 ( -7.318 -7.773 -4.633) 11.638 13.937 ( -3.298 0.770 15.157) 15.530 14.406 ( -3.834 -1.104 13.759) 14.326 ======================= Grid point 301 (151/275) ======================= q-point: (-0.44 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 8.621 -0.000 4.228) 9.602 2.370 ( 5.077 -0.000 5.617) 7.572 2.464 ( 2.131 -0.000 6.994) 7.311 2.513 ( -1.903 0.000 10.517) 10.688 3.014 ( -6.272 0.000 -11.155) 12.798 3.059 ( -0.890 0.000 15.821) 15.846 3.482 ( 0.237 -0.000 14.033) 14.035 3.924 ( 1.047 -0.000 7.624) 7.696 4.041 ( 0.842 -0.000 -1.108) 1.391 4.765 ( -5.153 0.000 -3.618) 6.296 4.933 ( 5.184 -0.000 -3.349) 6.172 5.343 ( -4.259 0.000 -2.243) 4.813 5.423 ( 1.916 -0.000 5.907) 6.210 6.008 ( 13.375 -0.000 -2.088) 13.537 6.063 ( -2.890 0.000 -4.658) 5.482 6.563 ( 1.397 -0.000 -2.664) 3.008 7.506 ( 1.130 -0.000 -1.042) 1.537 7.566 ( 5.489 -0.000 1.862) 5.796 7.668 ( 6.650 -0.000 11.717) 13.473 8.218 ( -2.812 0.000 -4.765) 5.533 8.928 ( -6.974 0.000 7.146) 9.985 9.092 ( 3.981 -0.000 2.062) 4.483 9.679 ( -4.241 0.000 -10.569) 11.388 9.990 ( 3.814 -0.000 8.803) 9.594 10.086 ( 4.265 -0.000 1.661) 4.577 10.499 ( 3.269 -0.000 -17.153) 17.462 10.697 ( 2.857 -0.000 -9.658) 10.071 10.714 ( -1.364 0.000 -4.190) 4.407 11.093 ( 2.079 -0.000 0.793) 2.226 11.923 ( -3.330 0.000 -8.605) 9.226 12.209 ( -6.486 0.000 3.085) 7.183 14.062 ( -3.706 0.000 13.127) 13.641 14.345 ( -2.740 0.000 14.375) 14.633 ======================= Grid point 303 (152/275) ======================= q-point: (-0.33 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 1.458 -1.057 7.461) 7.675 2.440 ( 2.729 1.616 3.732) 4.898 2.478 ( -0.642 4.854 10.773) 11.834 2.580 ( 6.687 -1.592 2.937) 7.475 2.887 ( -6.691 -0.938 -3.187) 7.470 3.115 ( 5.423 0.698 10.560) 11.891 3.553 ( 0.059 -3.872 14.728) 15.229 3.855 ( 0.695 12.494 11.015) 16.671 4.150 ( 1.470 -10.540 -3.369) 11.162 4.621 ( -11.726 -0.267 -2.178) 11.930 4.954 ( -0.371 1.354 -3.714) 3.970 5.281 ( -2.669 -0.262 -2.530) 3.687 5.458 ( 1.856 0.336 1.132) 2.199 6.045 ( 2.154 -0.570 -4.535) 5.052 6.280 ( 15.295 -5.590 -2.205) 16.433 6.609 ( 6.587 2.150 -2.309) 7.303 7.461 ( -1.396 4.683 -3.186) 5.833 7.695 ( 5.733 -2.106 2.702) 6.678 7.795 ( 2.454 -0.518 13.718) 13.946 8.150 ( -1.956 0.897 -4.210) 4.728 8.792 ( -6.874 4.428 5.468) 9.837 9.161 ( 2.722 -0.039 1.235) 2.990 9.556 ( -6.854 1.149 -4.975) 8.547 10.090 ( 0.124 -4.408 2.916) 5.286 10.164 ( 6.563 2.237 -1.748) 7.151 10.466 ( 0.798 -3.172 -16.773) 17.089 10.654 ( 4.208 7.564 -2.416) 8.987 10.815 ( 3.750 -6.307 -4.009) 8.361 11.174 ( 8.501 0.041 -3.113) 9.053 11.836 ( -2.739 3.137 -6.887) 8.048 12.107 ( -9.039 -3.253 2.149) 9.844 14.028 ( -3.615 1.922 13.863) 14.455 14.346 ( -3.212 -2.013 14.353) 14.845 ======================= Grid point 304 (153/275) ======================= q-point: (-0.22 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -9.296 -3.151 7.410) 12.299 2.415 ( -0.101 7.791 6.952) 10.442 2.497 ( -2.685 -3.893 4.320) 6.405 2.689 ( 8.919 4.527 3.883) 10.729 2.820 ( -1.924 0.544 0.988) 2.231 3.281 ( 11.701 0.664 7.565) 13.950 3.634 ( 0.216 -2.702 17.530) 17.739 3.780 ( 1.632 10.501 13.052) 16.831 4.245 ( -2.287 -6.422 -5.026) 8.470 4.406 ( -13.695 -3.519 0.104) 14.140 4.896 ( -3.897 0.686 -1.334) 4.176 5.230 ( -2.831 0.554 -3.474) 4.516 5.494 ( 3.661 0.102 -6.119) 7.131 6.108 ( 5.856 -0.773 -4.599) 7.486 6.559 ( 10.105 -6.728 -2.319) 12.359 6.729 ( 12.105 1.709 -1.504) 12.317 7.348 ( -5.008 4.656 -3.483) 7.674 7.697 ( -4.978 8.341 2.760) 10.098 7.846 ( 2.772 -0.125 8.328) 8.778 8.171 ( 1.587 -3.746 3.840) 5.595 8.679 ( -3.807 2.251 1.957) 4.836 9.153 ( -0.254 6.116 0.195) 6.124 9.467 ( -3.223 -3.873 -0.698) 5.087 9.940 ( -13.699 1.557 -11.137) 17.723 10.321 ( 6.998 -5.324 -3.833) 9.593 10.539 ( 6.162 0.374 -1.493) 6.351 10.678 ( 4.621 2.159 3.112) 5.974 10.933 ( 7.786 -4.152 -7.210) 11.395 11.322 ( 10.810 1.705 -5.594) 12.291 11.741 ( -1.690 3.691 -5.273) 6.654 12.005 ( -9.797 -6.293 -1.053) 11.692 13.989 ( -2.082 3.435 14.926) 15.457 14.360 ( -3.108 -2.796 14.042) 14.651 ======================= Grid point 305 (154/275) ======================= q-point: (-0.11 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( -10.667 -6.707 7.627) 14.729 2.336 ( -1.454 8.831 2.986) 9.435 2.450 ( -6.477 -2.829 6.624) 9.687 2.785 ( 1.457 2.675 0.250) 3.056 2.808 ( 8.262 7.775 6.546) 13.098 3.443 ( 5.257 2.535 8.159) 10.031 3.712 ( 3.823 3.022 16.714) 17.410 3.777 ( 3.245 2.166 11.267) 11.923 4.063 ( -20.253 -4.144 5.905) 21.499 4.420 ( 3.473 -6.989 -5.467) 9.528 4.819 ( -4.573 0.029 -0.297) 4.582 5.162 ( -2.298 1.750 -4.925) 5.709 5.529 ( 3.027 0.170 -9.323) 9.804 6.212 ( 8.289 0.816 -5.444) 9.950 6.725 ( 7.037 -0.945 -0.628) 7.128 6.896 ( 5.506 0.662 -2.730) 6.181 7.241 ( -1.518 -2.570 -2.464) 3.870 7.471 ( -8.389 11.544 0.465) 14.278 7.887 ( 0.349 2.823 8.455) 8.921 8.230 ( -0.324 -0.995 6.924) 7.003 8.612 ( -4.389 -0.845 -1.030) 4.586 9.082 ( 1.965 5.919 -0.393) 6.250 9.520 ( 0.287 -7.920 0.397) 7.935 9.645 ( -15.991 1.245 -10.038) 18.922 10.434 ( 0.558 -6.126 -2.067) 6.489 10.592 ( 5.867 7.439 -0.279) 9.478 10.721 ( 0.531 -0.338 2.603) 2.678 11.127 ( 5.934 -7.878 -8.155) 12.798 11.435 ( 12.407 6.028 -2.820) 14.079 11.694 ( 0.321 2.159 -4.036) 4.588 11.947 ( -4.579 -8.669 -7.063) 12.084 13.974 ( -0.287 3.462 15.790) 16.167 14.375 ( -2.592 -1.489 13.491) 13.819 ======================= Grid point 312 (155/275) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -9.574 0.000 10.521) 14.225 2.434 ( -6.944 0.000 3.870) 7.949 2.506 ( 0.501 -0.000 9.362) 9.375 2.742 ( 9.355 -0.000 4.367) 10.324 2.838 ( 1.367 -0.000 -2.225) 2.611 3.292 ( 11.607 -0.000 12.233) 16.863 3.580 ( 1.314 -0.000 12.856) 12.923 3.979 ( 1.073 -0.000 9.055) 9.119 4.107 ( 2.970 -0.000 -4.730) 5.585 4.373 ( -17.702 0.000 1.257) 17.747 4.907 ( -4.841 0.000 -2.538) 5.466 5.229 ( -2.767 0.000 -2.105) 3.477 5.493 ( 2.814 -0.000 -4.430) 5.248 6.096 ( 6.545 -0.000 -6.531) 9.246 6.471 ( 12.339 -0.000 -2.180) 12.530 6.765 ( 11.280 -0.000 -2.231) 11.499 7.411 ( -6.411 0.000 -3.301) 7.211 7.802 ( 5.400 -0.000 6.125) 8.166 7.831 ( -2.722 0.000 9.621) 9.998 8.114 ( -1.144 0.000 0.177) 1.157 8.706 ( -6.281 0.000 1.786) 6.530 9.204 ( 2.098 -0.000 1.692) 2.695 9.463 ( -4.928 0.000 -0.624) 4.967 9.951 ( -12.338 0.000 -14.123) 18.753 10.257 ( 3.651 -0.000 -0.892) 3.758 10.512 ( 10.512 -0.000 -0.846) 10.546 10.776 ( 1.691 -0.000 5.483) 5.737 10.828 ( 7.124 -0.000 -11.736) 13.729 11.345 ( 13.994 -0.000 -6.839) 15.576 11.799 ( -1.879 0.000 -6.473) 6.740 11.919 ( -12.180 0.000 1.830) 12.317 14.039 ( -1.146 0.000 14.722) 14.766 14.319 ( -3.263 0.000 14.171) 14.542 ======================= Grid point 313 (156/275) ======================= q-point: (-0.22 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( -13.239 -1.545 11.530) 17.624 2.315 ( -11.945 -3.969 6.586) 14.206 2.532 ( 3.080 4.529 8.214) 9.873 2.862 ( 5.045 3.348 -0.723) 6.098 2.895 ( 7.728 0.784 3.047) 8.344 3.488 ( 7.380 1.393 11.427) 13.674 3.662 ( 2.726 -2.409 12.584) 13.099 3.964 ( -2.129 7.574 5.482) 9.589 4.019 ( -14.779 0.857 7.908) 16.784 4.260 ( 3.491 -7.114 -4.387) 9.058 4.815 ( -5.110 -0.177 -0.317) 5.123 5.176 ( -3.028 -0.076 -3.191) 4.400 5.522 ( 2.608 -0.440 -9.150) 9.525 6.213 ( 9.675 -0.176 -6.917) 11.895 6.662 ( 9.786 -2.894 -1.855) 10.372 6.937 ( 11.270 1.839 -2.399) 11.668 7.254 ( -9.864 1.693 -2.386) 10.289 7.704 ( -6.923 9.307 1.126) 11.654 7.889 ( -0.016 -2.231 9.834) 10.084 8.140 ( -1.030 -5.205 6.161) 8.131 8.625 ( -3.637 1.039 -1.747) 4.166 9.216 ( 0.731 4.255 2.519) 4.999 9.418 ( -0.273 -1.249 1.948) 2.330 9.665 ( -16.147 0.272 -16.260) 22.917 10.309 ( 0.249 -4.051 -0.959) 4.170 10.675 ( 6.222 -0.682 1.634) 6.469 10.773 ( 2.708 6.611 1.837) 7.377 10.954 ( 4.887 -7.619 -7.349) 11.660 11.555 ( 13.651 4.420 -6.098) 15.591 11.721 ( -4.472 0.115 -3.134) 5.462 11.791 ( -3.675 -4.791 -4.976) 7.824 14.062 ( 1.177 3.556 15.231) 15.685 14.324 ( -2.241 -2.449 13.367) 13.773 ======================= Grid point 314 (157/275) ======================= q-point: (-0.11 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -12.705 -5.886 12.131) 18.527 2.158 ( -15.350 -4.288 6.062) 17.051 2.561 ( 5.667 7.364 8.807) 12.803 2.884 ( 4.471 5.297 -0.223) 6.935 3.018 ( 7.753 3.408 2.929) 8.961 3.530 ( -1.384 3.665 7.814) 8.741 3.669 ( -21.730 -3.968 8.257) 23.582 3.784 ( 2.604 -2.381 16.799) 17.165 3.973 ( 3.546 9.623 8.588) 13.376 4.416 ( 6.030 -7.351 -4.454) 10.499 4.774 ( 0.273 -0.210 0.274) 0.440 5.121 ( -2.217 0.073 -4.009) 4.581 5.534 ( 1.360 -0.637 -10.870) 10.973 6.359 ( 10.652 1.397 -6.482) 12.547 6.798 ( 2.380 0.172 -1.239) 2.688 6.981 ( -0.766 5.958 -2.279) 6.425 7.185 ( 3.277 -6.782 -1.695) 7.721 7.457 ( -8.545 11.559 -0.706) 14.392 7.906 ( -3.161 -0.388 10.543) 11.014 8.191 ( -2.819 -6.650 5.289) 8.952 8.523 ( -5.803 3.325 -1.973) 6.973 9.171 ( -0.306 5.281 -1.354) 5.461 9.371 ( -11.487 0.080 -11.432) 16.207 9.497 ( 2.491 -4.098 5.123) 7.017 10.343 ( -2.780 -6.779 -0.647) 7.355 10.717 ( -1.500 0.701 2.564) 3.052 10.742 ( 2.673 6.395 -1.619) 7.118 11.043 ( -2.320 -6.479 -6.177) 9.247 11.553 ( -4.048 -0.389 -3.685) 5.488 11.705 ( 0.372 -1.582 -3.475) 3.837 11.945 ( 17.417 -1.468 -9.157) 19.732 14.078 ( 1.820 5.509 15.155) 16.228 14.366 ( -0.336 -2.239 12.203) 12.412 ======================= Grid point 322 (158/275) ======================= q-point: (-0.22 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -14.670 0.000 14.539) 20.655 2.097 ( -15.039 0.000 8.131) 17.096 2.656 ( 6.048 -0.000 8.596) 10.511 2.957 ( 4.612 -0.000 -2.816) 5.404 3.028 ( 7.438 -0.000 4.027) 8.458 3.573 ( -1.285 0.000 9.934) 10.016 3.628 ( -22.652 0.000 8.949) 24.356 3.755 ( 3.206 -0.000 15.964) 16.282 4.143 ( 3.693 -0.000 4.800) 6.056 4.283 ( 6.431 -0.000 -3.461) 7.303 4.768 ( 0.450 -0.000 0.774) 0.896 5.120 ( -2.537 0.000 -3.378) 4.225 5.522 ( 1.203 -0.000 -11.574) 11.637 6.374 ( 12.377 -0.000 -6.963) 14.202 6.799 ( 9.231 -0.000 -1.678) 9.382 7.058 ( -14.214 0.000 -0.495) 14.223 7.108 ( 9.162 -0.000 -2.871) 9.602 7.646 ( -7.986 0.000 -3.121) 8.574 7.844 ( -5.149 0.000 8.943) 10.320 8.088 ( -3.952 0.000 8.474) 9.350 8.579 ( -3.249 0.000 -2.316) 3.990 9.260 ( -1.612 0.000 3.483) 3.838 9.370 ( -12.451 0.000 -15.491) 19.875 9.445 ( 3.782 -0.000 4.060) 5.548 10.255 ( -3.757 0.000 -0.291) 3.768 10.713 ( -0.071 0.000 1.655) 1.656 10.885 ( 1.120 -0.000 1.090) 1.563 10.904 ( -0.497 0.000 -6.476) 6.495 11.544 ( -7.913 0.000 -3.825) 8.789 11.685 ( -0.588 0.000 -4.400) 4.440 11.936 ( 20.385 -0.000 -8.100) 21.935 14.166 ( 3.208 -0.000 15.039) 15.377 14.317 ( -0.465 0.000 11.415) 11.425 ======================= Grid point 323 (159/275) ======================= q-point: (-0.11 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -13.111 -3.876 16.243) 21.231 1.863 ( -18.479 -2.748 7.620) 20.177 2.740 ( 3.212 4.247 7.348) 9.075 3.021 ( 6.223 2.943 5.769) 8.982 3.134 ( 2.980 1.250 2.251) 3.938 3.332 ( -16.550 -2.136 15.145) 22.535 3.529 ( -4.520 1.158 5.761) 7.413 3.872 ( 5.397 -0.891 9.710) 11.145 4.115 ( -1.740 7.972 8.978) 12.132 4.432 ( 7.339 -5.535 -2.563) 9.543 4.832 ( 6.028 0.016 0.108) 6.029 5.085 ( -0.540 -0.232 -2.895) 2.954 5.505 ( 0.134 -1.013 -12.160) 12.203 6.556 ( 12.924 2.740 -5.808) 14.432 6.757 ( -13.178 6.581 0.482) 14.737 6.984 ( 4.897 -5.825 -1.405) 7.738 7.223 ( 5.369 -0.815 -2.466) 5.964 7.433 ( -8.231 9.364 -3.526) 12.957 7.817 ( -6.233 -6.810 7.875) 12.134 8.044 ( -7.375 -5.233 4.289) 10.009 8.483 ( -5.252 4.063 0.112) 6.641 9.058 ( -12.005 2.597 -13.813) 18.484 9.322 ( 1.827 1.139 6.004) 6.379 9.560 ( 7.215 -1.623 3.914) 8.368 10.201 ( -5.821 -5.492 -0.432) 8.015 10.698 ( -1.863 0.581 0.474) 2.009 10.804 ( -2.811 5.157 0.238) 5.878 10.909 ( -4.487 -5.091 -3.646) 7.703 11.453 ( -3.055 -0.741 -7.035) 7.706 11.655 ( -2.436 -2.228 -3.590) 4.877 12.235 ( 18.202 0.596 -7.696) 19.771 14.220 ( 2.848 5.809 13.729) 15.177 14.380 ( 1.952 -2.982 9.227) 9.892 ======================= Grid point 332 (160/275) ======================= q-point: (-0.11 -0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -11.256 0.000 19.613) 22.613 1.559 ( -19.379 0.000 9.630) 21.640 2.716 ( -10.093 0.000 15.975) 18.896 3.154 ( -3.753 0.000 15.551) 15.998 3.175 ( -1.534 0.000 -3.332) 3.668 3.232 ( 9.066 -0.000 7.824) 11.975 3.481 ( -2.238 0.000 5.526) 5.962 3.983 ( 6.715 -0.000 5.413) 8.625 4.122 ( -5.152 0.000 11.045) 12.188 4.552 ( 10.890 -0.000 -1.242) 10.961 4.927 ( 4.772 -0.000 -1.426) 4.981 5.090 ( 2.003 -0.000 -1.496) 2.500 5.460 ( -0.789 0.000 -11.611) 11.638 6.537 ( -15.921 0.000 1.439) 15.986 6.795 ( 13.111 -0.000 -3.837) 13.661 7.029 ( 4.742 -0.000 -1.594) 5.002 7.282 ( 2.455 -0.000 -1.278) 2.768 7.336 ( -8.446 0.000 -8.416) 11.923 7.661 ( -7.691 0.000 6.054) 9.788 7.880 ( -11.136 0.000 4.399) 11.974 8.424 ( -4.360 0.000 0.787) 4.431 8.873 ( -7.575 0.000 -14.534) 16.389 9.401 ( 4.041 -0.000 12.881) 13.500 9.697 ( 9.357 -0.000 2.249) 9.623 10.072 ( -5.206 0.000 -0.435) 5.224 10.666 ( -3.809 0.000 0.954) 3.927 10.768 ( -5.001 0.000 -1.649) 5.266 10.795 ( -3.756 0.000 0.991) 3.884 11.411 ( 0.089 -0.000 -8.485) 8.485 11.569 ( -5.032 0.000 -3.272) 6.002 12.463 ( 11.852 -0.000 -7.366) 13.955 14.338 ( 1.869 -0.000 14.194) 14.317 14.417 ( 2.853 -0.000 2.962) 4.113 ======================= Grid point 333 (161/275) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 9.092 -0.000 16.302) 18.666 1.740 ( -4.439 0.000 22.273) 22.711 2.765 ( -5.898 0.000 -6.094) 8.481 2.832 ( -5.232 0.000 -6.532) 8.369 3.152 ( -4.176 0.000 13.568) 14.196 3.379 ( -1.156 0.000 -10.095) 10.161 3.845 ( -1.934 0.000 19.014) 19.112 4.358 ( 10.377 -0.000 -2.355) 10.641 4.371 ( -3.192 0.000 14.655) 14.999 4.761 ( -2.731 0.000 -8.831) 9.244 4.931 ( 6.737 -0.000 4.700) 8.214 5.144 ( -0.623 0.000 -0.108) 0.632 5.304 ( -3.031 0.000 2.261) 3.781 6.154 ( -6.903 0.000 -0.805) 6.950 6.910 ( -4.796 0.000 -4.661) 6.688 6.954 ( -0.419 0.000 -0.138) 0.441 7.079 ( 0.716 -0.000 1.649) 1.797 7.316 ( 0.382 -0.000 -1.787) 1.827 7.521 ( -7.983 0.000 4.783) 9.306 7.780 ( 4.353 -0.000 1.622) 4.645 8.411 ( 4.830 -0.000 -2.027) 5.239 8.475 ( 4.229 -0.000 -11.576) 12.325 9.990 ( 9.852 -0.000 9.509) 13.692 9.992 ( 0.306 -0.000 0.545) 0.625 10.042 ( 8.724 -0.000 0.275) 8.728 10.508 ( -8.538 0.000 1.151) 8.615 10.649 ( -5.179 0.000 2.056) 5.572 10.751 ( -3.033 0.000 3.264) 4.456 11.225 ( 0.393 -0.000 -7.163) 7.174 11.325 ( -0.157 0.000 -4.339) 4.341 12.491 ( 0.810 -0.000 -5.110) 5.173 14.376 ( -3.065 0.000 -0.853) 3.182 14.669 ( -0.840 0.000 10.413) 10.447 ======================= Grid point 334 (162/275) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -2.218 -2.389 21.553) 21.798 1.978 ( 17.788 -1.866 15.459) 23.641 2.624 ( -6.997 1.811 -9.249) 11.738 2.738 ( -4.797 -0.193 -5.881) 7.592 3.158 ( 0.099 0.143 12.471) 12.472 3.287 ( -3.541 4.415 -5.605) 7.965 3.842 ( -6.530 -2.825 18.799) 20.100 4.340 ( -3.176 2.895 14.685) 15.301 4.505 ( 7.597 0.167 -6.446) 9.964 4.704 ( -0.248 1.510 -7.383) 7.540 4.981 ( -1.776 -0.655 3.212) 3.728 5.113 ( -2.825 -0.857 -1.908) 3.515 5.229 ( -7.129 0.111 3.714) 8.039 6.090 ( -1.461 0.176 3.352) 3.661 6.759 ( -5.264 6.750 -4.599) 9.717 6.915 ( 6.410 10.644 -0.576) 12.439 7.161 ( 0.033 -7.280 1.787) 7.496 7.311 ( -3.827 -4.776 -2.916) 6.779 7.485 ( -3.659 -7.922 5.119) 10.117 7.936 ( 9.261 -5.121 0.025) 10.583 8.481 ( 7.785 3.783 -2.826) 9.105 8.577 ( 9.179 -2.140 -8.589) 12.751 9.979 ( 2.059 3.711 0.236) 4.250 10.179 ( 5.969 -1.403 3.212) 6.922 10.197 ( 9.528 -0.018 1.841) 9.704 10.352 ( -8.912 -0.989 0.357) 8.973 10.544 ( -4.814 3.278 1.651) 6.054 10.725 ( -3.613 -3.110 4.548) 6.589 11.205 ( 0.505 0.557 -6.790) 6.831 11.369 ( 4.451 -1.671 -3.621) 5.976 12.454 ( -2.808 1.178 -5.007) 5.860 14.307 ( -3.819 2.144 2.166) 4.886 14.677 ( -2.313 -0.990 10.080) 10.389 ======================= Grid point 335 (163/275) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 0.615 -6.143 18.180) 19.200 2.327 ( 14.575 -4.201 13.958) 20.613 2.470 ( -6.531 0.845 -9.327) 11.417 2.648 ( -3.343 1.456 -5.633) 6.710 3.101 ( -2.466 9.141 -5.250) 10.826 3.286 ( 4.297 -2.301 14.628) 15.419 3.800 ( -8.482 -3.473 16.749) 19.093 4.277 ( -5.034 3.952 13.111) 14.590 4.529 ( -0.052 3.580 -4.930) 6.093 4.685 ( 1.906 2.758 -3.804) 5.070 4.938 ( -4.936 -2.006 -1.040) 5.428 5.096 ( -2.660 -0.754 -2.817) 3.947 5.111 ( -4.798 -2.667 0.087) 5.491 6.103 ( -1.694 -3.123 8.924) 9.605 6.621 ( 1.385 8.587 -7.892) 11.745 6.926 ( 6.766 8.651 -0.535) 10.996 7.198 ( -6.553 -9.001 -0.091) 11.134 7.318 ( 1.848 -1.352 -0.993) 2.496 7.574 ( 0.594 -9.617 4.978) 10.845 8.131 ( 6.123 -6.656 -0.126) 9.045 8.566 ( 7.288 2.784 -0.485) 7.817 8.740 ( 10.520 -1.240 -7.279) 12.853 9.938 ( -3.228 4.727 -2.748) 6.350 10.091 ( -7.724 5.761 -2.931) 10.072 10.263 ( -2.011 -2.510 7.125) 7.817 10.449 ( 9.625 -0.989 -2.027) 9.886 10.539 ( 10.026 -0.129 1.344) 10.116 10.725 ( -2.353 -3.715 6.045) 7.476 11.190 ( -0.364 -0.696 -7.083) 7.127 11.458 ( 5.736 -0.641 -3.484) 6.742 12.348 ( -6.240 2.490 -5.314) 8.566 14.234 ( -2.848 2.691 5.850) 7.041 14.667 ( -3.725 -1.289 9.926) 10.680 ======================= Grid point 336 (164/275) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 2.938 -9.273 12.729) 16.020 2.344 ( -6.108 -1.997 -5.858) 8.695 2.554 ( 0.767 2.115 0.746) 2.370 2.617 ( 5.874 -3.147 8.456) 10.766 2.954 ( -4.783 4.333 -0.690) 6.491 3.446 ( 8.137 1.826 10.059) 13.067 3.760 ( -5.308 -5.231 13.064) 15.041 4.161 ( -6.844 4.647 7.475) 11.150 4.435 ( -2.408 6.529 -2.262) 7.318 4.661 ( -0.962 4.085 4.538) 6.181 4.867 ( -6.329 -2.014 -0.655) 6.674 4.999 ( -6.701 -4.486 0.965) 8.121 5.187 ( 6.872 -2.833 -12.206) 14.291 6.126 ( -3.142 -3.854 7.548) 9.039 6.597 ( 7.502 5.543 -6.645) 11.453 6.918 ( 1.641 5.579 -0.602) 5.846 7.178 ( -7.960 -10.643 -2.286) 13.486 7.367 ( 4.880 3.199 0.874) 5.900 7.719 ( 2.353 -9.562 5.576) 11.317 8.261 ( 2.241 -4.548 1.508) 5.290 8.648 ( 4.441 0.322 1.338) 4.649 8.874 ( 7.164 0.272 -5.843) 9.249 9.736 ( -12.250 4.361 -5.517) 14.125 9.914 ( -3.732 9.327 -1.323) 10.133 10.319 ( 3.558 -3.344 3.974) 6.295 10.542 ( 3.230 0.137 2.342) 3.992 10.718 ( -0.928 -5.962 3.716) 7.086 10.872 ( 21.613 1.410 -0.913) 21.679 11.166 ( -1.592 -1.654 -6.850) 7.225 11.537 ( 4.352 -0.302 -3.712) 5.728 12.172 ( -9.228 3.962 -6.474) 11.949 14.197 ( -0.867 2.120 8.778) 9.072 14.641 ( -4.460 -1.368 9.905) 10.948 ======================= Grid point 337 (165/275) ======================= q-point: (-0.56 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 0.679 -9.086 4.615) 10.213 2.280 ( -2.780 -0.147 0.384) 2.810 2.506 ( 0.163 4.044 3.052) 5.069 2.789 ( 5.218 -5.896 7.193) 10.665 2.871 ( -4.369 -1.934 6.720) 8.245 3.478 ( -4.464 -0.774 3.134) 5.509 3.861 ( 6.004 -3.903 8.629) 11.214 4.000 ( -8.336 4.373 1.511) 9.534 4.341 ( 0.065 5.893 2.515) 6.408 4.582 ( -3.656 6.833 11.044) 13.492 4.795 ( -5.652 -3.707 1.302) 6.884 4.985 ( -1.707 -4.668 -3.599) 6.136 5.292 ( 6.638 -1.384 -12.106) 13.876 6.140 ( 0.163 -2.405 0.928) 2.583 6.689 ( 7.931 -0.181 -2.609) 8.351 6.863 ( -2.249 2.927 -1.231) 3.891 7.160 ( -7.028 -9.557 -2.423) 12.107 7.402 ( 4.420 5.159 1.256) 6.908 7.867 ( 1.295 -8.762 6.030) 10.715 8.321 ( -0.709 -3.804 4.097) 5.635 8.670 ( -1.495 2.973 0.846) 3.434 8.953 ( 4.899 -0.718 -4.458) 6.663 9.477 ( -11.870 3.402 -4.791) 13.245 9.766 ( -0.924 10.042 -0.620) 10.103 10.436 ( 4.150 -2.888 1.098) 5.174 10.582 ( 1.195 -0.883 4.403) 4.647 10.757 ( -1.303 -3.124 5.120) 6.138 11.060 ( 0.081 2.019 -9.653) 9.862 11.302 ( 20.750 -2.060 -1.032) 20.877 11.577 ( 0.600 -1.235 -3.755) 3.998 11.946 ( -8.642 5.864 -8.726) 13.609 14.206 ( 0.468 0.626 10.230) 10.260 14.613 ( -3.715 -1.152 9.737) 10.485 ======================= Grid point 338 (166/275) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -7.042 1.974 1.171) 7.407 2.232 ( -5.185 1.810 6.299) 8.357 2.552 ( 3.771 -4.865 3.800) 7.234 2.884 ( 0.976 -3.816 10.150) 10.888 2.971 ( 4.464 -6.907 6.120) 10.251 3.412 ( -5.491 -4.900 -4.680) 8.721 3.806 ( -9.123 3.811 -0.303) 9.891 4.018 ( 3.047 -4.950 9.182) 10.867 4.319 ( -0.040 4.197 12.777) 13.449 4.497 ( 1.659 7.623 3.657) 8.616 4.776 ( -2.499 -3.829 3.189) 5.574 5.004 ( 0.232 -2.746 -4.567) 5.333 5.349 ( 3.753 1.079 -9.407) 10.185 6.209 ( 4.948 -3.603 -3.376) 6.990 6.779 ( -4.628 0.479 -2.371) 5.222 6.816 ( 4.762 -3.085 -0.676) 5.714 7.147 ( -4.925 -7.800 -2.378) 9.526 7.404 ( 3.521 6.747 1.066) 7.685 7.969 ( -1.931 -7.853 6.302) 10.253 8.355 ( -2.185 -4.374 6.038) 7.770 8.535 ( -6.364 8.487 -1.594) 10.727 8.984 ( -2.934 0.372 -6.673) 7.299 9.307 ( -2.775 0.813 0.550) 2.944 9.683 ( 2.003 6.513 0.953) 6.880 10.464 ( -1.168 2.565 0.703) 2.905 10.656 ( 2.731 -3.513 3.547) 5.691 10.763 ( -3.364 -2.215 5.782) 7.047 10.972 ( -3.897 1.623 -9.044) 9.981 11.474 ( -6.808 -1.397 -3.558) 7.808 11.693 ( 11.322 1.854 -1.969) 11.641 11.794 ( 8.136 3.694 -11.155) 14.292 14.247 ( 0.342 -1.682 9.722) 9.872 14.604 ( -1.507 -0.224 9.342) 9.465 ======================= Grid point 339 (167/275) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( -10.381 4.827 5.818) 12.842 2.080 ( -10.312 5.242 9.034) 14.678 2.701 ( 4.198 -7.062 2.589) 8.614 3.012 ( 2.313 -9.084 6.889) 11.633 3.073 ( -1.350 -4.127 -0.349) 4.356 3.437 ( 5.145 -3.781 -3.051) 7.076 3.625 ( -9.455 3.191 5.654) 11.469 4.120 ( -1.059 -5.630 10.399) 11.873 4.308 ( -0.697 2.442 17.481) 17.665 4.496 ( 6.213 5.720 -2.390) 8.777 4.810 ( 0.875 -3.111 0.673) 3.301 5.029 ( 1.742 -1.078 -2.795) 3.465 5.349 ( 2.101 2.779 -6.997) 7.816 6.351 ( 5.748 -7.797 -3.550) 10.317 6.670 ( -6.460 1.371 -2.037) 6.911 6.902 ( -1.197 -7.473 -1.885) 7.799 7.165 ( 0.595 -3.332 -2.751) 4.362 7.383 ( 3.295 7.505 0.622) 8.220 7.997 ( -6.416 -5.904 7.094) 11.240 8.277 ( -6.845 12.672 -0.012) 14.402 8.403 ( -3.068 -4.659 1.426) 5.757 8.803 ( -11.290 3.505 -7.911) 14.224 9.376 ( 6.429 -2.633 4.274) 8.157 9.695 ( 4.267 2.183 3.148) 5.735 10.368 ( -4.293 6.891 1.183) 8.204 10.693 ( -2.363 -0.207 0.799) 2.503 10.761 ( -4.221 -6.432 6.052) 9.788 10.876 ( -2.039 2.120 -6.316) 6.967 11.334 ( -7.712 -0.842 -5.631) 9.586 11.645 ( -0.426 6.059 -7.305) 9.500 12.074 ( 18.142 -1.296 -5.271) 18.937 14.302 ( -0.127 -3.983 7.087) 8.131 14.617 ( 0.531 1.209 9.009) 9.105 ======================= Grid point 340 (168/275) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -11.685 3.366 8.310) 14.729 1.893 ( -8.620 5.511 16.172) 19.136 2.815 ( 0.558 -5.248 0.448) 5.296 3.031 ( -6.003 -3.301 -4.554) 8.226 3.169 ( 1.567 -10.950 -3.229) 11.523 3.448 ( -8.267 2.974 7.606) 11.621 3.624 ( 11.926 2.180 9.611) 15.471 4.157 ( -1.773 -2.010 10.703) 11.033 4.346 ( -1.066 -2.296 13.953) 14.181 4.574 ( 10.497 3.005 -0.232) 10.921 4.845 ( -0.495 -2.609 -3.816) 4.649 5.073 ( 3.389 -0.336 -0.809) 3.500 5.334 ( 1.929 3.006 -4.001) 5.363 6.462 ( -11.072 -9.730 -0.571) 14.751 6.601 ( 6.003 -2.492 -2.762) 7.062 6.938 ( -3.876 -8.993 -3.395) 10.364 7.200 ( 3.689 3.648 -2.632) 5.817 7.359 ( 3.047 6.696 0.050) 7.357 7.919 ( -8.292 1.654 5.864) 10.290 8.008 ( -9.461 10.888 0.024) 14.424 8.403 ( -3.020 -2.060 1.031) 3.798 8.581 ( -8.435 0.686 -10.230) 13.276 9.548 ( 8.102 -4.183 7.375) 11.727 9.780 ( 6.181 0.017 3.562) 7.134 10.207 ( -4.735 8.772 1.402) 10.066 10.647 ( -3.270 -0.699 0.204) 3.350 10.740 ( -6.450 -5.110 1.322) 8.334 10.842 ( -0.445 1.524 1.166) 1.970 11.243 ( -2.973 -1.322 -6.459) 7.232 11.537 ( -2.994 5.357 -6.899) 9.234 12.316 ( 11.670 -1.273 -5.173) 12.828 14.362 ( -0.357 -4.871 2.952) 5.707 14.637 ( 1.050 2.179 9.232) 9.544 ======================= Grid point 341 (169/275) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( -4.483 1.730 13.533) 14.361 1.781 ( -6.131 2.579 20.359) 21.418 2.832 ( -3.286 -3.166 -2.765) 5.336 2.940 ( -5.709 -0.399 -6.132) 8.388 3.213 ( -5.978 -1.723 5.982) 8.631 3.378 ( -0.817 -4.028 -3.486) 5.389 3.788 ( 6.932 4.145 15.463) 17.446 4.212 ( 4.461 -1.605 5.689) 7.405 4.374 ( -2.419 -1.392 13.176) 13.469 4.756 ( 12.388 0.413 2.843) 12.717 4.824 ( -2.808 -1.705 -7.422) 8.116 5.127 ( 2.845 0.316 -0.219) 2.871 5.325 ( 0.355 1.304 -0.184) 1.364 6.305 ( -12.498 -2.668 -0.839) 12.807 6.799 ( 4.034 -14.338 -2.027) 15.032 6.959 ( -3.275 -6.663 -3.074) 8.036 7.162 ( 1.213 10.238 -1.258) 10.386 7.333 ( 2.157 5.751 -0.647) 6.176 7.710 ( -7.475 12.147 2.321) 14.451 7.810 ( -8.330 -0.346 4.191) 9.331 8.369 ( -1.078 -1.153 -1.147) 1.951 8.484 ( -1.042 -0.458 -11.602) 11.658 9.762 ( 8.943 -5.541 9.049) 13.877 9.902 ( 7.653 -0.088 2.366) 8.011 10.064 ( -1.989 7.572 1.710) 8.014 10.601 ( -4.637 -1.593 0.158) 4.905 10.699 ( -4.851 -3.370 2.540) 6.430 10.802 ( -2.194 2.505 2.619) 4.237 11.222 ( -0.225 -2.267 -6.770) 7.143 11.407 ( -3.962 4.182 -6.036) 8.344 12.451 ( 5.494 -0.865 -5.196) 7.611 14.398 ( -1.380 -3.243 -0.706) 3.594 14.653 ( 0.373 1.660 10.131) 10.273 ======================= Grid point 343 (170/275) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -0.447 0.000 21.974) 21.978 2.273 ( 12.156 -0.000 14.561) 18.968 2.485 ( -6.571 0.000 -10.767) 12.614 2.656 ( -3.733 0.000 -2.764) 4.645 3.230 ( -4.250 0.000 -9.408) 10.323 3.258 ( 8.475 -0.000 14.777) 17.034 3.744 ( -9.704 0.000 18.413) 20.814 4.325 ( -5.100 0.000 13.252) 14.199 4.567 ( 1.221 -0.000 -5.394) 5.530 4.717 ( 3.110 -0.000 -5.982) 6.742 4.895 ( -7.303 0.000 -1.582) 7.473 5.091 ( 2.642 -0.000 -4.665) 5.362 5.097 ( -10.745 0.000 5.504) 12.072 6.067 ( -3.351 0.000 8.200) 8.858 6.734 ( 0.330 -0.000 -6.981) 6.989 7.077 ( -4.281 0.000 0.665) 4.333 7.141 ( 9.730 -0.000 -1.354) 9.823 7.176 ( -5.973 0.000 -1.159) 6.084 7.458 ( 2.961 -0.000 4.925) 5.747 8.070 ( 9.598 -0.000 -0.119) 9.598 8.610 ( 5.552 -0.000 -0.228) 5.557 8.722 ( 12.472 -0.000 -8.286) 14.974 10.017 ( 1.002 -0.000 -2.226) 2.441 10.110 ( -15.404 0.000 0.971) 15.435 10.262 ( 2.257 -0.000 3.749) 4.376 10.418 ( 12.522 -0.000 -3.516) 13.006 10.545 ( 2.300 -0.000 4.032) 4.642 10.684 ( 1.006 -0.000 5.982) 6.066 11.177 ( -1.114 0.000 -7.730) 7.810 11.455 ( 6.511 -0.000 -2.262) 6.892 12.376 ( -5.828 0.000 -6.207) 8.514 14.271 ( -2.778 0.000 4.678) 5.441 14.648 ( -4.014 0.000 10.133) 10.899 ======================= Grid point 344 (171/275) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 2.221 -3.112 19.324) 19.699 2.301 ( -7.448 -1.587 -3.659) 8.449 2.503 ( 4.912 -2.121 9.372) 10.791 2.614 ( -0.731 -0.098 0.083) 0.743 3.098 ( -4.958 6.235 -6.340) 10.180 3.474 ( 9.201 0.664 10.885) 14.268 3.654 ( -5.945 -3.814 14.127) 15.794 4.241 ( -7.612 2.311 8.575) 11.697 4.532 ( -1.617 2.046 -2.405) 3.547 4.729 ( -3.627 2.576 -0.523) 4.479 4.800 ( -1.816 -3.378 -2.663) 4.669 4.933 ( -10.988 -1.366 5.819) 12.509 5.166 ( 8.534 0.053 -10.919) 13.859 6.042 ( -3.866 -2.581 8.713) 9.876 6.735 ( 5.315 4.973 -6.734) 9.916 6.985 ( -9.465 -4.995 -1.692) 10.835 7.051 ( -2.412 5.586 1.000) 6.166 7.326 ( 5.363 -5.810 -0.763) 7.943 7.569 ( 5.484 -3.835 5.604) 8.729 8.217 ( 7.902 0.018 0.334) 7.909 8.669 ( 2.715 0.933 0.561) 2.925 8.889 ( 9.788 0.575 -6.203) 11.602 9.826 ( -14.578 3.867 -1.841) 15.194 10.031 ( -0.998 -0.515 -3.478) 3.655 10.284 ( 1.595 2.254 6.254) 6.836 10.506 ( -1.508 -3.532 1.258) 4.041 10.639 ( 5.544 -1.042 3.313) 6.542 10.884 ( 21.174 0.046 0.787) 21.188 11.134 ( -2.274 -0.948 -8.126) 8.492 11.535 ( 3.559 -0.014 -1.915) 4.041 12.235 ( -7.995 1.626 -8.407) 11.715 14.251 ( -0.340 1.990 7.686) 7.946 14.604 ( -5.563 -1.430 10.072) 11.594 ======================= Grid point 345 (172/275) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 3.474 -5.202 12.916) 14.351 2.221 ( -3.573 -3.462 -1.354) 5.156 2.618 ( 4.018 0.510 6.244) 7.443 2.637 ( 0.414 -4.148 9.363) 10.249 2.921 ( -5.830 7.036 -1.417) 9.247 3.443 ( -10.649 -2.930 5.110) 12.169 3.809 ( 10.078 -1.143 9.170) 13.673 4.078 ( -10.514 2.719 1.313) 10.939 4.473 ( -0.626 5.399 0.795) 5.493 4.630 ( -6.612 -3.517 2.365) 7.854 4.741 ( -8.300 0.794 9.130) 12.364 4.906 ( 3.078 -2.409 -3.457) 5.218 5.285 ( 9.646 0.424 -12.007) 15.407 6.051 ( -1.722 -4.415 3.993) 6.197 6.753 ( 4.457 4.802 -3.791) 7.569 6.898 ( -6.029 -4.574 -2.799) 8.069 6.969 ( -5.476 -1.386 1.822) 5.935 7.436 ( 2.947 -2.581 -0.287) 3.928 7.724 ( 5.110 -4.943 7.563) 10.380 8.304 ( 3.852 2.460 1.518) 4.816 8.695 ( 0.880 -0.113 1.056) 1.379 8.976 ( 4.948 1.972 -5.513) 7.666 9.556 ( -12.342 3.987 -1.842) 13.100 9.970 ( -1.161 6.674 -3.133) 7.463 10.332 ( 1.326 -3.515 5.046) 6.291 10.529 ( -1.486 -4.903 3.896) 6.436 10.735 ( 4.682 0.652 2.970) 5.583 11.069 ( -3.218 -0.600 -10.108) 10.625 11.278 ( 24.798 -0.403 -0.436) 24.805 11.547 ( -2.638 -1.327 -1.840) 3.479 12.055 ( -6.457 3.871 -11.253) 13.539 14.255 ( 1.070 3.297 9.877) 10.467 14.564 ( -5.319 -3.028 10.056) 11.772 ======================= Grid point 346 (173/275) ======================= q-point: (-0.56 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( -1.346 -3.406 3.191) 4.857 2.274 ( 2.902 -3.133 5.431) 6.909 2.595 ( -0.155 9.677 4.566) 10.702 2.765 ( -0.689 -8.504 9.859) 13.038 2.832 ( -0.123 -2.762 8.129) 8.587 3.320 ( -8.045 -3.966 -2.267) 9.252 3.869 ( -11.386 1.197 -1.516) 11.549 3.952 ( 3.125 -0.919 6.655) 7.410 4.409 ( -2.531 3.639 8.811) 9.864 4.612 ( -0.486 0.883 4.451) 4.563 4.658 ( -4.385 -4.403 2.991) 6.896 4.975 ( 4.768 0.369 -3.236) 5.774 5.382 ( 6.663 1.823 -8.258) 10.766 6.105 ( 1.769 -5.203 -2.487) 6.032 6.734 ( -5.420 -4.554 -1.418) 7.220 6.850 ( -1.665 3.883 -1.163) 4.382 6.954 ( -0.818 -6.769 0.219) 6.822 7.485 ( 1.428 -0.603 0.118) 1.554 7.862 ( 2.890 -3.593 9.532) 10.589 8.306 ( -0.111 2.341 2.212) 3.222 8.676 ( -2.465 3.602 0.464) 4.389 8.991 ( 0.060 0.384 -5.944) 5.957 9.363 ( -4.397 4.299 0.396) 6.162 9.858 ( -0.807 8.663 -1.727) 8.870 10.397 ( -2.249 -6.982 2.866) 7.875 10.587 ( 1.463 -3.363 4.717) 5.975 10.775 ( 0.817 2.612 2.821) 3.931 10.984 ( -4.188 -0.381 -9.592) 10.473 11.435 ( -8.971 -2.022 -3.248) 9.753 11.691 ( 21.574 -0.833 -1.435) 21.638 11.910 ( -0.636 5.463 -12.911) 14.034 14.259 ( 0.011 2.634 10.177) 10.513 14.563 ( -2.426 -3.394 10.250) 11.066 ======================= Grid point 347 (174/275) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -6.600 1.709 2.921) 7.417 2.259 ( -3.404 10.369 7.629) 13.315 2.574 ( 3.035 -3.052 1.883) 4.698 2.833 ( -3.465 -7.144 8.794) 11.848 2.922 ( -2.591 -9.042 4.113) 10.266 3.337 ( 6.219 -5.226 -0.663) 8.150 3.691 ( -8.115 1.795 1.089) 8.382 4.002 ( -1.651 -3.754 8.216) 9.183 4.359 ( -4.343 1.204 14.580) 15.260 4.603 ( 2.811 3.476 2.052) 4.919 4.708 ( 1.096 -6.098 -2.009) 6.513 5.031 ( 4.740 2.050 -2.513) 5.744 5.413 ( 2.982 3.041 -4.652) 6.308 6.193 ( 2.201 -6.102 -5.219) 8.325 6.669 ( -11.662 -7.982 0.551) 14.143 6.785 ( -0.365 1.639 -2.951) 3.396 7.047 ( 3.405 -5.077 -0.013) 6.114 7.508 ( 2.163 1.304 0.037) 2.526 7.925 ( -1.454 -0.434 9.738) 9.856 8.291 ( -1.549 -1.603 2.775) 3.560 8.542 ( -4.305 9.093 -2.417) 10.347 8.898 ( -7.094 4.195 -4.061) 9.188 9.358 ( 6.221 1.324 2.148) 6.713 9.775 ( 0.756 5.334 0.172) 5.390 10.414 ( -3.853 -4.079 1.139) 5.726 10.650 ( -0.261 -3.080 3.611) 4.753 10.712 ( -5.238 2.568 2.313) 6.276 10.907 ( -2.278 0.521 -7.260) 7.627 11.293 ( -8.766 -2.715 -5.210) 10.553 11.787 ( 0.054 6.552 -9.292) 11.369 12.044 ( 17.418 -1.395 -4.668) 18.086 14.260 ( -0.775 0.179 8.532) 8.569 14.604 ( -0.002 -2.204 10.337) 10.570 ======================= Grid point 348 (175/275) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -10.531 6.036 7.109) 14.067 2.075 ( -5.870 11.817 10.742) 17.014 2.684 ( 1.134 -6.119 1.811) 6.481 2.851 ( -4.737 -10.886 -3.939) 12.509 2.989 ( -0.957 -7.804 -2.617) 8.287 3.507 ( -1.206 0.318 6.100) 6.226 3.630 ( 8.618 0.189 10.374) 13.488 4.044 ( -2.975 -6.719 10.366) 12.706 4.330 ( -2.857 -0.291 13.106) 13.417 4.649 ( 7.126 3.101 -0.612) 7.796 4.776 ( 0.330 -4.390 -2.835) 5.236 5.074 ( 3.968 1.684 -1.171) 4.467 5.404 ( 1.707 3.197 -3.111) 4.776 6.256 ( -2.683 -7.139 -2.871) 8.149 6.549 ( -11.229 -6.650 1.223) 13.108 6.788 ( 0.527 -2.868 -5.951) 6.627 7.153 ( 2.448 -4.921 0.346) 5.508 7.532 ( 5.157 5.268 -0.691) 7.404 7.879 ( -6.482 0.254 7.585) 9.981 8.284 ( -5.003 1.377 4.444) 6.831 8.377 ( 1.239 8.538 -6.224) 10.638 8.682 ( -8.696 8.565 -3.019) 12.573 9.496 ( 9.135 -0.770 4.172) 10.072 9.780 ( 3.552 0.621 1.335) 3.845 10.357 ( -4.422 2.528 -0.141) 5.096 10.599 ( -7.589 -1.792 3.430) 8.518 10.657 ( -3.269 -2.364 -0.385) 4.053 10.869 ( -0.002 0.585 -2.755) 2.816 11.201 ( -4.507 -2.443 -5.246) 7.335 11.675 ( -1.876 6.889 -8.965) 11.461 12.281 ( 10.955 -1.860 -4.171) 11.869 14.280 ( -0.599 -2.207 5.801) 6.235 14.653 ( 0.452 -0.742 9.999) 10.037 ======================= Grid point 349 (176/275) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -5.153 4.983 12.451) 14.367 1.905 ( -4.936 9.306 14.990) 18.321 2.718 ( -3.683 -6.507 -4.503) 8.728 2.899 ( -1.785 -4.880 -4.378) 6.795 3.045 ( -1.166 -10.469 -7.490) 12.925 3.410 ( -5.482 5.405 11.774) 14.068 3.850 ( 7.595 0.277 15.549) 17.307 4.117 ( 0.851 -6.982 9.050) 11.462 4.346 ( 0.005 -1.161 8.664) 8.742 4.754 ( 3.619 -2.430 -5.597) 7.094 4.797 ( 3.922 1.276 2.562) 4.855 5.124 ( 3.318 -0.141 -0.597) 3.374 5.378 ( -0.194 3.192 -1.744) 3.642 6.212 ( -9.635 -4.636 0.988) 10.737 6.530 ( -2.467 -11.269 -1.416) 11.623 6.813 ( -1.671 -5.696 -5.125) 7.842 7.219 ( 0.065 -2.920 1.080) 3.114 7.528 ( 3.688 10.509 -0.953) 11.178 7.796 ( -5.212 -0.907 4.469) 6.925 8.082 ( -4.069 16.624 -0.604) 17.126 8.376 ( 0.653 2.634 0.232) 2.724 8.484 ( -2.423 3.175 -8.029) 8.967 9.674 ( 8.962 -2.073 6.725) 11.395 9.873 ( 6.445 -1.882 0.415) 6.727 10.244 ( -2.508 6.519 0.523) 7.005 10.523 ( -7.813 -4.719 5.050) 10.432 10.626 ( -3.176 -2.856 -2.541) 4.970 10.858 ( -0.143 1.913 0.761) 2.064 11.163 ( -2.025 -2.848 -5.208) 6.272 11.536 ( -2.943 7.020 -7.950) 11.007 12.418 ( 4.919 -2.101 -4.243) 6.828 14.312 ( -1.216 -3.657 3.044) 4.911 14.684 ( -0.134 0.538 9.668) 9.684 ======================= Grid point 350 (177/275) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 6.894 2.418 16.052) 17.637 1.807 ( -1.846 6.038 18.610) 19.652 2.700 ( -4.538 -5.085 -7.455) 10.101 2.843 ( -4.967 0.262 -6.745) 8.381 3.125 ( -1.126 -7.293 -0.536) 7.399 3.317 ( -4.248 1.030 7.795) 8.937 3.903 ( -2.688 2.845 17.535) 17.966 4.265 ( 2.914 -6.013 10.357) 12.326 4.400 ( 4.843 0.311 1.328) 5.031 4.731 ( -3.024 -2.281 -6.773) 7.760 4.930 ( 6.468 -0.374 4.875) 8.109 5.155 ( 0.337 0.619 -1.340) 1.513 5.317 ( -3.766 1.805 0.925) 4.278 6.118 ( -5.662 -2.528 1.190) 6.314 6.668 ( 2.416 -13.686 -2.766) 14.170 6.822 ( -4.700 -7.476 -2.009) 9.056 7.219 ( -0.580 2.840 1.961) 3.500 7.427 ( -1.630 8.372 -1.555) 8.670 7.680 ( -8.197 7.954 4.139) 12.149 7.909 ( 6.274 14.406 -1.066) 15.749 8.358 ( 2.736 -1.499 -2.259) 3.852 8.499 ( 5.717 0.695 -8.841) 10.551 9.854 ( 6.552 -4.306 5.293) 9.459 10.018 ( 8.742 -1.987 -0.582) 8.984 10.167 ( 2.011 7.055 2.613) 7.788 10.462 ( -7.828 -3.735 5.717) 10.389 10.593 ( -5.006 -3.994 -2.393) 6.836 10.810 ( -2.438 4.153 2.779) 5.560 11.175 ( 1.041 -3.413 -5.351) 6.431 11.406 ( -1.292 5.947 -6.480) 8.890 12.469 ( 0.505 -1.900 -4.476) 4.889 14.326 ( -2.827 -3.652 1.514) 4.860 14.690 ( -1.072 1.247 9.792) 9.929 ======================= Grid point 353 (178/275) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 4.382 -0.000 18.159) 18.681 2.176 ( -5.203 0.000 -1.639) 5.455 2.557 ( 0.852 -0.000 10.429) 10.464 2.640 ( 3.421 -0.000 5.005) 6.062 3.046 ( -4.107 0.000 -5.697) 7.023 3.385 ( -13.424 0.000 7.616) 15.434 3.799 ( 11.307 -0.000 9.029) 14.470 4.109 ( -12.121 0.000 1.848) 12.261 4.531 ( 1.420 -0.000 -2.120) 2.551 4.579 ( -10.275 0.000 -2.331) 10.536 4.751 ( -10.391 0.000 14.432) 17.783 4.885 ( 6.846 -0.000 -2.791) 7.393 5.292 ( 10.287 -0.000 -11.597) 15.502 5.998 ( -1.633 0.000 4.829) 5.098 6.781 ( -11.530 0.000 -1.620) 11.643 6.852 ( 7.258 -0.000 -3.269) 7.960 6.988 ( -7.032 0.000 0.350) 7.041 7.388 ( 4.749 -0.000 1.014) 4.856 7.659 ( 5.474 -0.000 6.209) 8.277 8.350 ( 7.120 -0.000 1.999) 7.395 8.690 ( -0.071 0.000 0.086) 0.111 9.003 ( 5.037 -0.000 -5.981) 7.819 9.615 ( -12.399 0.000 0.453) 12.407 10.007 ( -0.508 0.000 -4.834) 4.860 10.375 ( 4.576 -0.000 5.914) 7.477 10.405 ( -6.421 0.000 4.073) 7.604 10.747 ( 6.237 -0.000 2.463) 6.706 11.059 ( -3.415 0.000 -9.668) 10.254 11.275 ( 25.655 -0.000 -0.904) 25.671 11.531 ( -4.181 0.000 -1.073) 4.316 12.099 ( -5.779 0.000 -12.094) 13.404 14.304 ( 2.353 -0.000 9.577) 9.862 14.519 ( -7.015 0.000 10.256) 12.426 ======================= Grid point 354 (179/275) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 2.954 1.026 10.122) 10.594 2.163 ( 1.834 -5.310 5.626) 7.950 2.606 ( -0.450 -3.842 9.163) 9.946 2.739 ( 5.170 0.108 11.136) 12.278 2.917 ( -4.428 9.508 -2.000) 10.677 3.221 ( -10.525 -5.163 0.744) 11.746 3.879 ( -13.503 0.426 -3.258) 13.897 3.941 ( 2.414 -0.757 5.747) 6.280 4.425 ( -9.411 -1.806 1.181) 9.655 4.570 ( 4.239 0.559 -3.581) 5.578 4.652 ( -6.247 -0.303 13.852) 15.199 4.999 ( 7.650 1.024 -0.017) 7.718 5.416 ( 8.082 1.016 -7.534) 11.096 6.021 ( 2.437 -2.152 -1.766) 3.701 6.603 ( -13.126 -4.811 -1.103) 14.023 6.873 ( -6.633 -0.422 -0.072) 6.647 6.959 ( 8.307 3.026 -0.358) 8.848 7.453 ( 1.803 -1.058 2.297) 3.106 7.763 ( 2.087 -3.940 8.199) 9.332 8.421 ( 3.425 5.110 3.615) 7.135 8.695 ( 0.516 -0.780 -0.460) 1.043 9.003 ( -1.930 0.507 -7.197) 7.469 9.465 ( -3.217 3.916 1.860) 5.398 9.976 ( -1.770 0.981 -4.856) 5.261 10.301 ( -5.038 0.071 4.994) 7.094 10.497 ( 3.184 -4.259 5.091) 7.362 10.829 ( 3.478 1.705 2.259) 4.484 10.969 ( -4.637 -0.663 -10.074) 11.110 11.399 ( -10.971 -1.032 -2.601) 11.322 11.676 ( 23.265 -0.405 -1.726) 23.333 11.995 ( -1.455 2.158 -13.669) 13.915 14.344 ( 0.631 4.706 10.594) 11.610 14.470 ( -3.878 -4.797 10.537) 12.210 ======================= Grid point 355 (180/275) ======================= q-point: (-0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -0.344 2.101 5.253) 5.668 2.319 ( 5.258 -4.620 6.754) 9.726 2.672 ( -1.022 -5.087 8.361) 9.840 2.717 ( -4.655 10.671 0.145) 11.643 2.784 ( -6.115 -1.311 9.816) 11.639 3.216 ( 3.652 -6.444 1.518) 7.561 3.683 ( -8.371 -1.683 -4.825) 9.807 3.966 ( -1.915 -0.710 6.197) 6.524 4.327 ( -7.722 -3.833 6.227) 10.635 4.608 ( -0.267 -1.179 6.869) 6.974 4.647 ( 3.060 0.071 -2.538) 3.976 5.099 ( 7.280 3.285 1.254) 8.085 5.473 ( 3.032 2.365 -2.778) 4.744 6.098 ( 4.367 -2.767 -6.693) 8.457 6.456 ( -14.233 -9.235 -0.415) 16.972 6.789 ( -5.333 -2.189 -0.962) 5.844 7.052 ( 8.246 4.784 0.759) 9.563 7.489 ( 0.864 -1.262 2.959) 3.331 7.846 ( -2.358 -6.661 10.168) 12.383 8.383 ( -0.067 7.559 3.266) 8.234 8.681 ( -0.448 4.226 -2.260) 4.813 8.943 ( -2.255 0.012 -4.316) 4.870 9.438 ( 5.206 5.409 1.381) 7.633 9.894 ( -2.957 4.279 -2.600) 5.815 10.275 ( -4.197 -6.103 3.099) 8.029 10.584 ( 0.652 -3.322 3.671) 4.994 10.791 ( -4.666 3.779 -1.876) 6.290 10.901 ( -2.345 -0.993 -5.442) 6.009 11.234 ( -9.092 -2.372 -4.619) 10.470 11.906 ( 0.421 4.247 -11.260) 12.041 12.017 ( 16.454 -1.138 -3.924) 16.953 14.302 ( -2.240 3.288 9.703) 10.487 14.533 ( 0.512 -4.074 11.211) 11.939 ======================= Grid point 356 (181/275) ======================= q-point: (-0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( -6.412 6.314 6.556) 11.134 2.363 ( -1.035 11.086 6.600) 12.943 2.594 ( 0.279 0.113 2.150) 2.171 2.656 ( -8.394 -6.143 -0.392) 10.408 2.791 ( -0.743 -9.751 -0.100) 9.780 3.417 ( 5.649 -7.261 8.024) 12.207 3.645 ( 3.734 -0.340 3.259) 4.968 3.951 ( -3.245 -1.647 8.390) 9.145 4.284 ( -5.675 -4.408 8.610) 11.214 4.668 ( 2.177 -4.034 2.206) 5.087 4.690 ( 4.172 0.597 -4.135) 5.904 5.162 ( 5.631 5.541 2.055) 8.163 5.465 ( 0.431 2.396 -1.094) 2.669 6.159 ( 1.472 -2.469 -5.835) 6.505 6.334 ( -14.449 -11.143 0.347) 18.250 6.740 ( -4.115 -3.611 -3.401) 6.445 7.124 ( 6.120 3.665 0.458) 7.148 7.544 ( 3.211 -1.998 2.724) 4.661 7.873 ( -5.313 -4.425 9.563) 11.801 8.293 ( -3.386 4.254 2.403) 5.944 8.609 ( 3.254 10.029 -4.996) 11.667 8.871 ( -2.777 6.886 0.465) 7.439 9.518 ( 9.511 3.013 1.181) 10.047 9.813 ( -0.929 2.179 -1.075) 2.601 10.282 ( -5.105 -6.670 1.368) 8.510 10.599 ( -3.357 -2.941 0.196) 4.468 10.645 ( -6.831 3.650 -1.360) 7.863 10.861 ( -1.830 -1.206 -3.837) 4.418 11.149 ( -3.651 -2.098 -3.643) 5.568 11.811 ( -1.430 5.448 -11.379) 12.697 12.242 ( 10.128 -1.659 -2.749) 10.625 14.272 ( -1.412 1.245 7.968) 8.187 14.611 ( 0.538 -2.897 11.159) 11.542 ======================= Grid point 357 (182/275) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -5.919 7.411 10.452) 14.114 2.181 ( -3.132 15.777 8.637) 18.258 2.582 ( -4.303 -5.920 -3.000) 7.910 2.725 ( 3.837 -8.838 -5.632) 11.160 2.857 ( -3.062 -8.001 -4.808) 9.824 3.490 ( -2.973 -0.645 8.592) 9.115 3.817 ( 6.970 -1.463 17.953) 19.314 3.975 ( 0.788 -4.964 9.713) 10.937 4.292 ( -1.221 -4.513 4.631) 6.581 4.695 ( -0.763 -2.688 -7.430) 7.938 4.806 ( 7.418 -1.064 2.907) 8.038 5.176 ( 3.302 5.507 2.125) 6.763 5.440 ( -0.293 2.271 -1.049) 2.518 6.145 ( -5.883 -1.877 0.379) 6.187 6.278 ( -5.197 -11.866 -1.882) 13.090 6.701 ( -5.573 -5.415 -5.055) 9.270 7.176 ( 3.500 1.114 0.017) 3.673 7.651 ( 6.513 -1.221 1.483) 6.791 7.810 ( -5.975 2.634 5.462) 8.513 8.217 ( -4.587 -0.322 3.100) 5.546 8.552 ( 7.144 12.749 -7.403) 16.382 8.703 ( -3.955 13.779 2.096) 14.488 9.662 ( 9.054 0.634 3.223) 9.631 9.836 ( 4.849 -1.532 -2.009) 5.467 10.247 ( -7.040 -5.187 1.213) 8.828 10.508 ( -5.547 2.781 2.168) 6.572 10.564 ( -3.865 -2.976 -3.680) 6.110 10.860 ( 0.378 -1.927 -2.071) 2.854 11.115 ( -2.249 -1.324 -2.523) 3.630 11.685 ( -2.433 6.540 -10.115) 12.288 12.368 ( 4.047 -2.310 -2.629) 5.350 14.266 ( -1.394 -0.426 6.031) 6.205 14.668 ( -0.278 -1.857 10.677) 10.841 ======================= Grid point 358 (183/275) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 6.471 4.946 13.664) 15.908 2.010 ( -1.551 13.029 11.977) 17.765 2.581 ( -2.234 -5.449 -7.715) 9.705 2.819 ( -3.517 -2.717 -8.888) 9.937 2.883 ( 0.536 -11.901 -4.457) 12.720 3.425 ( -5.031 5.176 13.098) 14.956 3.897 ( -3.885 -2.837 19.871) 20.445 4.135 ( 4.070 -5.599 13.640) 15.296 4.368 ( 4.654 -3.552 -2.436) 6.342 4.676 ( -2.548 -2.605 -6.331) 7.305 4.921 ( 4.118 -0.722 2.606) 4.926 5.177 ( 1.549 2.571 0.847) 3.118 5.383 ( -2.997 3.669 -0.971) 4.836 6.081 ( -2.968 -0.972 4.080) 5.139 6.394 ( 3.617 -12.067 -3.273) 13.016 6.656 ( -6.583 -7.835 -4.281) 11.092 7.215 ( 1.804 -0.515 0.295) 1.900 7.644 ( -3.598 10.769 0.323) 11.359 7.765 ( 0.601 -0.320 3.451) 3.517 8.161 ( 0.388 3.663 0.862) 3.783 8.499 ( -1.751 14.415 1.783) 14.630 8.550 ( 8.986 7.403 -8.823) 14.609 9.794 ( 5.317 -2.164 2.548) 6.281 9.973 ( 9.020 -1.884 -2.170) 9.467 10.206 ( -3.855 -4.364 2.436) 6.312 10.424 ( -3.215 1.744 6.355) 7.333 10.512 ( -5.554 -3.421 -5.892) 8.790 10.879 ( 0.249 1.186 0.787) 1.445 11.102 ( -0.034 -2.761 -3.392) 4.374 11.549 ( -2.030 6.925 -8.508) 11.157 12.417 ( -0.257 -2.777 -2.831) 3.974 14.261 ( -2.607 -1.773 4.784) 5.730 14.698 ( -1.214 -0.688 10.174) 10.269 ======================= Grid point 359 (184/275) ======================= q-point: (-0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 0.617 8.688 15.621) 17.885 2.042 ( 16.977 3.829 14.000) 22.336 2.564 ( -3.821 -3.268 -8.228) 9.643 2.728 ( -5.926 -1.821 -9.752) 11.556 3.011 ( 0.781 -10.558 -3.593) 11.180 3.316 ( -4.777 5.612 14.611) 16.365 3.887 ( -5.874 -0.020 18.346) 19.263 4.248 ( -1.725 -4.921 15.318) 16.181 4.475 ( 4.448 -2.989 -6.025) 8.063 4.655 ( -0.648 -2.568 -5.809) 6.384 4.967 ( -0.614 -1.870 2.041) 2.836 5.156 ( -1.455 2.221 -1.834) 3.227 5.259 ( -6.623 3.995 0.671) 7.763 6.096 ( 2.007 1.022 6.040) 6.446 6.555 ( -0.992 -9.895 -5.680) 11.452 6.704 ( 5.233 -10.110 -1.907) 11.542 7.252 ( 1.918 -0.192 1.686) 2.561 7.444 ( -6.608 9.475 -2.114) 11.744 7.694 ( -3.176 8.933 5.222) 10.824 8.152 ( 5.209 10.554 -1.132) 11.824 8.429 ( 5.989 2.064 -0.470) 6.353 8.623 ( 9.479 3.155 -7.981) 12.787 9.894 ( 2.257 -4.241 -0.737) 4.860 10.096 ( 0.940 -4.664 -1.073) 4.878 10.260 ( 6.926 0.411 2.511) 7.379 10.379 ( -4.097 1.053 5.674) 7.078 10.454 ( -1.749 -3.316 -3.196) 4.927 10.821 ( -3.354 4.934 3.799) 7.073 11.164 ( 3.492 -3.328 -5.047) 6.982 11.446 ( 0.758 5.193 -6.417) 8.290 12.409 ( -3.409 -2.867 -3.582) 5.716 14.246 ( -3.593 -2.590 4.730) 6.480 14.698 ( -2.275 0.464 9.927) 10.195 ======================= Grid point 363 (185/275) ======================= q-point: ( 0.33 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 2.015 -0.000 4.523) 4.952 2.217 ( 5.781 -0.000 11.640) 12.997 2.594 ( -0.701 0.000 4.606) 4.659 2.744 ( -8.876 0.000 10.344) 13.630 3.017 ( -8.194 0.000 -1.326) 8.301 3.037 ( 8.469 -0.000 5.890) 10.316 3.660 ( -8.575 0.000 -8.569) 12.123 3.952 ( -2.546 0.000 7.029) 7.476 4.272 ( -7.793 0.000 1.191) 7.883 4.612 ( -2.706 0.000 13.069) 13.346 4.639 ( 4.560 -0.000 -6.243) 7.731 5.139 ( 7.969 -0.000 3.125) 8.560 5.501 ( 3.038 -0.000 -2.202) 3.752 6.070 ( 5.801 -0.000 -7.372) 9.380 6.345 ( -14.776 0.000 -0.053) 14.776 6.758 ( -6.398 0.000 -1.824) 6.653 7.127 ( 9.422 -0.000 2.855) 9.846 7.477 ( 0.590 -0.000 4.166) 4.207 7.749 ( -3.426 0.000 8.408) 9.080 8.482 ( -2.368 0.000 5.581) 6.063 8.728 ( 4.783 -0.000 -2.059) 5.207 8.933 ( -2.241 0.000 -6.070) 6.470 9.518 ( 4.975 -0.000 1.847) 5.307 9.921 ( -3.653 0.000 -4.987) 6.182 10.220 ( -5.540 0.000 4.593) 7.196 10.536 ( 1.511 -0.000 3.849) 4.135 10.848 ( -6.027 0.000 -10.564) 12.162 10.874 ( -0.982 0.000 2.417) 2.609 11.206 ( -8.991 0.000 -4.292) 9.963 11.957 ( -0.546 0.000 -13.858) 13.869 12.000 ( 17.167 -0.000 -1.783) 17.260 14.361 ( -5.187 0.000 10.292) 11.525 14.466 ( 3.088 -0.000 11.353) 11.766 ======================= Grid point 365 (186/275) ======================= q-point: (-0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( -0.110 6.696 5.477) 8.651 2.351 ( 1.899 -6.568 4.902) 8.413 2.576 ( -10.814 -0.698 9.008) 14.091 2.622 ( -0.645 -4.556 0.707) 4.656 2.832 ( -3.112 12.983 -1.488) 13.433 3.239 ( 4.314 -8.357 7.038) 11.747 3.626 ( 6.099 -0.684 -1.984) 6.450 3.920 ( -4.468 -1.746 8.531) 9.787 4.187 ( -5.577 -2.868 3.098) 6.995 4.631 ( 1.819 0.054 6.836) 7.074 4.688 ( 3.408 -0.503 -6.044) 6.957 5.260 ( 7.159 2.702 5.045) 9.165 5.505 ( -0.959 1.165 0.018) 1.510 6.126 ( -1.986 -1.478 -5.247) 5.801 6.146 ( -8.726 -4.432 -2.640) 10.137 6.667 ( -5.493 -2.117 -3.163) 6.683 7.252 ( 7.910 5.671 3.199) 10.245 7.505 ( 1.517 -1.087 4.817) 5.166 7.726 ( -5.565 -6.325 8.311) 11.834 8.393 ( -6.461 3.028 2.687) 7.624 8.793 ( 7.421 6.185 -2.505) 9.980 8.939 ( 2.547 -0.067 -0.181) 2.554 9.609 ( 8.533 4.141 0.205) 9.487 9.836 ( -5.407 -0.727 -3.603) 6.538 10.170 ( -3.591 -2.454 2.938) 5.249 10.534 ( -4.463 -2.348 1.150) 5.173 10.709 ( -6.229 1.914 -8.303) 10.554 10.829 ( -4.327 -1.308 -0.984) 4.626 11.120 ( -1.885 -0.623 -2.314) 3.049 11.895 ( -1.265 2.102 -13.310) 13.535 12.215 ( 9.597 -0.717 -1.359) 9.719 14.312 ( -2.664 1.717 9.592) 10.102 14.549 ( 1.395 -2.175 11.400) 11.689 ======================= Grid point 366 (187/275) ======================= q-point: (-0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -6.110 8.974 7.428) 13.155 2.409 ( -2.309 -5.233 -2.332) 6.177 2.516 ( -0.886 3.209 7.242) 7.970 2.652 ( -1.207 5.291 3.714) 6.576 2.699 ( 1.947 -3.281 -9.720) 10.442 3.368 ( -1.344 -8.534 5.948) 10.489 3.808 ( 10.996 -0.404 11.889) 16.199 3.906 ( -3.336 -2.862 10.584) 11.460 4.168 ( -2.699 -5.308 2.529) 6.470 4.663 ( 0.947 0.399 -4.669) 4.781 4.768 ( 6.249 -2.362 -0.661) 6.713 5.320 ( 3.885 6.581 5.687) 9.525 5.472 ( -0.987 0.695 0.770) 1.432 6.020 ( -9.839 -8.654 -0.271) 13.106 6.141 ( -0.314 -1.349 -4.541) 4.748 6.598 ( -5.936 -3.411 -4.590) 8.243 7.278 ( 4.188 7.313 1.107) 8.500 7.586 ( 3.940 -2.859 4.084) 6.354 7.763 ( -1.835 -7.104 7.963) 10.828 8.258 ( -5.752 3.648 0.162) 6.813 8.824 ( 8.422 11.245 -2.802) 14.326 8.940 ( 0.539 7.174 3.853) 8.161 9.689 ( 3.502 1.336 -0.816) 3.836 9.805 ( 4.327 -1.357 -3.721) 5.866 10.144 ( -5.040 -2.938 2.490) 6.343 10.473 ( -6.612 -4.257 -0.556) 7.884 10.580 ( -4.054 2.290 -6.484) 7.982 10.795 ( -1.994 -3.327 -2.690) 4.720 11.105 ( -0.666 0.118 -0.082) 0.681 11.801 ( -2.023 3.940 -12.105) 12.890 12.325 ( 3.253 -1.545 -0.875) 3.706 14.285 ( -1.692 1.718 8.285) 8.629 14.616 ( -0.115 -2.640 11.231) 11.538 ======================= Grid point 367 (188/275) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 4.295 6.311 9.857) 12.468 2.335 ( -1.475 14.527 6.227) 15.874 2.482 ( 0.542 -2.600 -6.584) 7.100 2.674 ( -2.139 -6.318 0.234) 6.674 2.744 ( 2.533 -3.810 -10.110) 11.097 3.419 ( -4.693 -6.038 9.472) 12.174 3.889 ( -1.816 2.611 17.070) 17.363 4.008 ( 1.927 -6.353 16.282) 17.583 4.251 ( 4.546 -6.753 -2.420) 8.493 4.641 ( -1.100 -0.046 -6.612) 6.703 4.885 ( 3.615 -2.733 -2.289) 5.077 5.282 ( -0.485 6.323 4.384) 7.710 5.456 ( -0.198 3.172 0.885) 3.299 6.017 ( -0.714 -6.663 1.639) 6.898 6.180 ( 2.367 -6.716 -1.603) 7.299 6.518 ( -6.764 -3.883 -5.559) 9.578 7.263 ( 2.527 5.050 -0.436) 5.663 7.692 ( 2.156 -4.490 2.309) 5.490 7.823 ( 2.291 3.016 5.238) 6.464 8.157 ( -2.983 -0.291 0.854) 3.116 8.772 ( 1.252 13.882 0.006) 13.938 8.855 ( 4.538 13.663 -0.439) 14.404 9.720 ( -0.623 -5.347 -2.531) 5.949 9.949 ( 10.244 -0.230 -2.750) 10.609 10.102 ( -2.737 -3.013 2.991) 5.051 10.411 ( -7.059 -4.203 0.789) 8.253 10.496 ( -1.832 1.931 -5.763) 6.348 10.832 ( 1.821 -4.896 -2.211) 5.672 11.085 ( -1.092 0.889 0.526) 1.504 11.686 ( -2.066 5.473 -10.372) 11.908 12.359 ( -1.160 -2.426 -0.789) 2.803 14.258 ( -2.406 1.277 7.261) 7.756 14.662 ( -1.218 -2.457 10.884) 11.224 ======================= Grid point 368 (189/275) ======================= q-point: (-0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 13.640 5.731 11.179) 18.543 2.192 ( 3.590 12.773 8.943) 16.001 2.502 ( 0.258 -2.154 -8.426) 8.700 2.641 ( -7.408 -5.491 -6.300) 11.167 2.838 ( 4.418 -5.101 -5.713) 8.842 3.394 ( -6.375 -0.879 12.571) 14.123 3.875 ( -2.965 1.403 19.263) 19.541 4.124 ( -1.687 -7.377 14.178) 16.071 4.379 ( 2.053 -5.519 -2.530) 6.409 4.613 ( -0.198 -0.928 -6.403) 6.473 4.918 ( -1.151 -2.627 -2.760) 3.980 5.217 ( -1.895 3.919 2.173) 4.866 5.375 ( -3.449 5.998 -1.050) 6.998 6.111 ( 3.778 -1.132 7.481) 8.457 6.371 ( 7.861 -8.819 -4.338) 12.585 6.472 ( -1.109 -8.514 -5.018) 9.945 7.253 ( 1.359 2.230 -0.960) 2.783 7.669 ( -4.841 8.550 -0.566) 9.842 7.811 ( 1.200 3.034 4.483) 5.544 8.206 ( 4.584 -2.933 2.620) 6.040 8.626 ( -0.294 12.240 2.691) 12.536 8.796 ( 7.360 13.155 -6.900) 16.578 9.761 ( -2.851 -8.467 -3.405) 9.561 10.029 ( 0.172 -1.031 1.382) 1.732 10.216 ( 8.775 -3.311 -3.738) 10.096 10.341 ( -4.190 -3.299 0.460) 5.353 10.459 ( 0.979 1.654 0.709) 2.049 10.895 ( 0.159 0.495 2.168) 2.230 11.087 ( 2.601 -2.471 -3.070) 4.722 11.571 ( -1.052 5.945 -8.410) 10.352 12.341 ( -4.362 -3.198 -1.395) 5.586 14.221 ( -3.285 0.407 7.077) 7.812 14.686 ( -2.139 -1.626 10.459) 10.798 ======================= Grid point 369 (190/275) ======================= q-point: (-0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 1.892 12.435 11.307) 16.913 2.407 ( 16.954 2.617 8.737) 19.252 2.469 ( -3.219 0.773 -5.167) 6.136 2.569 ( -4.906 -5.374 -6.415) 9.701 2.938 ( 1.851 -5.114 -3.609) 6.527 3.341 ( -1.651 1.525 13.666) 13.850 3.852 ( -4.779 1.960 17.556) 18.300 4.177 ( -4.888 -5.431 12.279) 14.288 4.417 ( -2.649 -6.264 -4.115) 7.949 4.624 ( 0.376 -2.492 -2.296) 3.409 4.923 ( -1.285 -2.675 -2.045) 3.604 5.135 ( -4.402 3.079 0.067) 5.372 5.236 ( -2.474 7.557 -4.549) 9.161 6.165 ( -0.543 1.004 9.161) 9.232 6.460 ( 4.274 -4.549 -7.780) 9.974 6.730 ( 10.820 -10.884 -1.976) 15.473 7.266 ( 1.018 -2.534 -0.688) 2.816 7.441 ( -7.132 12.331 -1.366) 14.310 7.783 ( 0.858 8.081 5.734) 9.945 8.284 ( 2.470 3.652 1.940) 4.817 8.570 ( 5.395 5.074 1.640) 7.585 8.795 ( 7.510 5.323 -7.463) 11.850 9.792 ( -4.321 -9.718 -3.500) 11.196 9.980 ( -8.591 -2.626 -3.561) 9.664 10.272 ( 0.912 -2.376 1.118) 2.780 10.468 ( 6.537 1.409 1.229) 6.799 10.538 ( 14.657 -1.104 1.236) 14.751 10.829 ( -3.804 5.340 5.003) 8.248 11.174 ( 3.182 -2.536 -6.014) 7.261 11.502 ( 2.324 3.544 -6.096) 7.425 12.279 ( -7.262 -3.704 -3.092) 8.719 14.191 ( -2.821 -0.803 7.700) 8.240 14.682 ( -3.197 -0.275 10.086) 10.584 ======================= Grid point 374 (191/275) ======================= q-point: ( 0.44 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -11.709 0.000 4.227) 12.449 2.258 ( 3.645 -0.000 0.339) 3.661 2.528 ( 0.521 -0.000 9.005) 9.020 2.610 ( 1.957 -0.000 -3.806) 4.280 2.869 ( -1.930 0.000 -0.663) 2.040 3.229 ( 0.396 -0.000 2.170) 2.206 3.807 ( 12.943 -0.000 7.672) 15.046 3.843 ( -6.295 0.000 12.020) 13.569 4.116 ( -2.517 0.000 2.581) 3.605 4.706 ( 1.939 -0.000 -7.735) 7.974 4.708 ( 5.160 -0.000 2.683) 5.815 5.405 ( 6.559 -0.000 7.794) 10.187 5.474 ( -3.346 0.000 0.755) 3.430 5.917 ( -9.147 0.000 0.191) 9.149 6.125 ( -1.573 0.000 -6.757) 6.937 6.563 ( -4.568 0.000 -4.483) 6.400 7.400 ( 4.081 -0.000 1.137) 4.236 7.573 ( 6.500 -0.000 7.793) 10.148 7.616 ( -4.564 0.000 6.719) 8.122 8.306 ( -5.995 0.000 -0.410) 6.009 8.966 ( 8.303 -0.000 0.261) 8.307 9.008 ( 4.793 -0.000 3.383) 5.866 9.699 ( -8.003 0.000 -5.271) 9.583 9.790 ( 10.506 -0.000 -1.327) 10.589 10.124 ( -1.898 0.000 2.606) 3.224 10.412 ( -7.633 0.000 -1.550) 7.788 10.608 ( -4.328 0.000 -8.921) 9.915 10.752 ( -3.521 0.000 -1.446) 3.807 11.108 ( 0.057 -0.000 0.682) 0.685 11.845 ( -1.837 0.000 -13.046) 13.175 12.308 ( 2.916 -0.000 0.005) 2.916 14.311 ( -1.911 0.000 9.367) 9.560 14.581 ( 0.083 -0.000 11.133) 11.133 ======================= Grid point 376 (192/275) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 0.416 4.697 4.992) 6.867 2.350 ( 4.054 -3.955 -4.020) 6.946 2.567 ( 0.808 0.567 6.949) 7.019 2.633 ( -0.083 -0.897 -2.596) 2.747 2.781 ( 0.377 9.263 -3.890) 10.054 3.260 ( -2.797 -6.406 3.570) 7.849 3.816 ( -4.582 -6.189 12.502) 14.683 4.004 ( 6.054 3.507 14.079) 15.721 4.124 ( 2.364 -4.261 2.751) 5.596 4.681 ( 0.263 3.145 -6.895) 7.583 4.809 ( 3.114 -3.829 -4.016) 6.363 5.397 ( -3.525 3.312 2.587) 5.485 5.517 ( 4.252 2.006 7.739) 9.056 5.869 ( 1.167 -4.527 -1.228) 4.834 6.075 ( -3.410 -3.197 -3.268) 5.703 6.489 ( -3.047 0.107 -5.375) 6.179 7.400 ( 1.674 6.079 -0.619) 6.336 7.609 ( 1.220 -2.640 4.168) 5.082 7.767 ( 8.143 -4.923 9.969) 13.782 8.200 ( -5.158 2.308 -2.786) 6.300 9.037 ( 0.433 8.170 5.883) 10.077 9.057 ( 6.691 5.250 1.357) 8.612 9.587 ( -5.983 -5.355 -7.379) 10.905 9.954 ( 10.544 0.312 -3.111) 10.998 10.099 ( -0.674 1.789 2.507) 3.153 10.310 ( -7.213 -4.125 -3.124) 8.877 10.533 ( -1.372 1.331 -7.106) 7.359 10.726 ( -0.372 -3.577 -1.495) 3.895 11.107 ( -0.346 0.717 1.938) 2.095 11.770 ( -1.819 2.110 -11.773) 12.098 12.321 ( -1.838 -1.002 0.817) 2.247 14.295 ( -2.177 1.491 8.876) 9.260 14.610 ( -1.255 -1.748 10.976) 11.185 ======================= Grid point 377 (193/275) ======================= q-point: (-0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 13.553 2.707 7.069) 15.523 2.428 ( 3.398 0.657 -3.129) 4.666 2.532 ( -0.356 8.383 2.670) 8.805 2.576 ( -4.274 1.699 -0.230) 4.605 2.766 ( 4.979 -1.112 -8.071) 9.548 3.283 ( -5.070 -6.914 8.520) 12.087 3.882 ( -2.127 -8.369 11.110) 14.071 4.010 ( -1.145 3.708 13.337) 13.890 4.261 ( 2.355 -5.108 5.727) 8.027 4.626 ( -0.539 2.076 -6.738) 7.072 4.849 ( -1.028 -3.790 -6.816) 7.866 5.309 ( -3.395 3.914 3.211) 6.095 5.507 ( -1.520 6.016 3.207) 6.984 6.027 ( 5.677 -5.154 1.563) 7.825 6.125 ( 5.341 -10.970 -1.768) 12.328 6.441 ( 1.037 2.087 -5.371) 5.854 7.353 ( 1.057 6.191 -1.345) 6.423 7.698 ( 3.599 -2.863 2.833) 5.402 7.920 ( 2.007 3.658 6.015) 7.320 8.122 ( 0.983 -2.671 0.136) 2.849 8.897 ( -4.019 12.079 5.142) 13.729 9.070 ( 4.853 9.990 -1.352) 11.188 9.565 ( -5.039 -8.498 -5.603) 11.358 10.046 ( 2.835 2.387 0.192) 3.711 10.144 ( 2.446 -3.093 -11.419) 12.081 10.256 ( 0.038 -4.738 4.554) 6.572 10.496 ( 1.035 2.096 -3.246) 4.000 10.819 ( 4.518 -5.778 -0.131) 7.335 11.091 ( -0.277 1.584 1.003) 1.895 11.681 ( -1.391 3.946 -9.968) 10.810 12.281 ( -5.368 -2.213 0.715) 5.850 14.256 ( -2.817 2.414 8.702) 9.460 14.636 ( -2.145 -2.631 10.789) 11.311 ======================= Grid point 378 (194/275) ======================= q-point: (-0.22 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 2.707 8.578 6.946) 11.365 2.440 ( 3.341 3.907 1.636) 5.395 2.485 ( 3.923 0.364 0.883) 4.037 2.518 ( 3.099 2.050 -3.179) 4.890 2.861 ( 4.929 -2.959 -4.484) 7.291 3.301 ( -2.691 -4.624 10.568) 11.845 3.925 ( -1.426 2.883 15.456) 15.787 4.026 ( -2.736 -6.860 8.103) 10.964 4.296 ( -4.113 -4.380 0.629) 6.042 4.590 ( -2.468 -0.722 -1.200) 2.838 4.854 ( -0.182 -3.397 -5.752) 6.683 5.218 ( -3.610 4.091 1.321) 5.613 5.397 ( -2.649 7.129 -1.713) 7.796 6.101 ( -1.646 -5.906 2.434) 6.596 6.420 ( 9.514 -6.906 -3.272) 12.203 6.498 ( 12.231 -3.037 -2.110) 12.778 7.290 ( -1.152 4.564 -2.038) 5.130 7.683 ( -4.845 8.978 -1.763) 10.353 7.886 ( 3.076 2.294 5.464) 6.677 8.263 ( 5.609 -4.051 5.729) 8.983 8.735 ( -2.429 8.565 2.877) 9.356 8.999 ( 2.935 12.083 -4.651) 13.276 9.566 ( -5.260 -9.896 -3.001) 11.602 9.956 ( -10.486 -0.750 -9.605) 14.240 10.197 ( 5.517 -3.458 -0.073) 6.512 10.474 ( 13.789 -4.668 2.325) 14.742 10.508 ( 4.657 2.272 -0.128) 5.183 10.909 ( -0.155 0.654 4.497) 4.546 11.111 ( 4.605 -1.766 -4.793) 6.877 11.594 ( -0.303 4.474 -7.987) 9.159 12.200 ( -8.515 -3.453 -0.559) 9.205 14.209 ( -2.474 2.356 9.080) 9.701 14.652 ( -2.851 -2.345 10.405) 11.040 ======================= Grid point 379 (195/275) ======================= q-point: (-0.11 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 1.710 11.624 7.127) 13.742 2.357 ( -6.241 -1.284 -3.113) 7.092 2.490 ( -0.085 0.637 -1.894) 2.000 2.695 ( 10.202 2.286 6.466) 12.293 2.920 ( -0.956 -0.588 3.012) 3.214 3.396 ( 6.579 -2.682 7.915) 10.636 3.881 ( -2.403 6.353 13.332) 14.962 4.047 ( -6.064 -6.284 5.335) 10.233 4.293 ( -1.836 -5.925 -3.011) 6.895 4.558 ( -4.950 -4.856 6.605) 9.576 4.869 ( -1.704 -1.561 -0.990) 2.514 5.104 ( -4.388 4.973 -1.282) 6.755 5.292 ( 1.390 6.079 -8.390) 10.454 6.135 ( -0.859 -3.245 1.606) 3.721 6.559 ( 9.174 0.884 -2.185) 9.472 6.786 ( 8.667 -7.280 -1.626) 11.435 7.232 ( -1.349 -1.723 -2.856) 3.598 7.461 ( -6.194 11.111 -0.760) 12.743 7.916 ( 2.941 7.170 6.417) 10.062 8.348 ( 1.086 1.802 5.455) 5.846 8.667 ( -0.112 1.732 0.977) 1.992 8.927 ( 3.588 6.600 -5.101) 9.081 9.588 ( -5.419 -9.444 -4.962) 11.966 9.766 ( -10.616 -3.509 -4.336) 11.992 10.339 ( 7.450 -1.659 -0.226) 7.636 10.545 ( 2.647 0.847 3.864) 4.760 10.795 ( 10.340 -3.175 3.887) 11.494 10.867 ( 6.337 4.374 -0.291) 7.705 11.187 ( 3.488 0.212 -6.481) 7.363 11.558 ( 2.858 1.816 -5.916) 6.816 12.078 ( -11.012 -4.499 -3.445) 12.384 14.186 ( -0.932 1.255 9.742) 9.867 14.647 ( -3.511 -0.983 9.929) 10.577 ======================= Grid point 385 (196/275) ======================= q-point: (-0.44 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 10.877 -0.000 4.459) 11.756 2.412 ( 5.910 -0.000 -2.658) 6.480 2.603 ( 0.825 -0.000 6.567) 6.618 2.615 ( -0.153 0.000 -7.365) 7.366 2.818 ( -1.940 0.000 2.614) 3.255 3.193 ( -1.196 0.000 -0.213) 1.215 3.742 ( -3.130 0.000 10.849) 11.292 4.094 ( -0.819 0.000 5.203) 5.267 4.183 ( 3.929 -0.000 15.179) 15.679 4.669 ( -2.665 0.000 -5.773) 6.358 4.788 ( 0.604 -0.000 -9.203) 9.222 5.356 ( -3.961 0.000 2.730) 4.811 5.589 ( -1.195 0.000 8.345) 8.430 5.968 ( 13.450 -0.000 -1.635) 13.549 5.981 ( -3.279 0.000 -3.391) 4.718 6.471 ( 2.239 -0.000 -5.036) 5.511 7.445 ( 0.177 -0.000 -2.593) 2.599 7.651 ( 5.213 -0.000 5.475) 7.560 7.923 ( 8.793 -0.000 11.383) 14.384 8.119 ( -4.567 0.000 -5.216) 6.933 9.066 ( -6.913 0.000 6.418) 9.433 9.164 ( 2.742 -0.000 4.929) 5.640 9.460 ( -1.157 0.000 -10.288) 10.353 10.086 ( 1.926 -0.000 -18.155) 18.257 10.135 ( 2.285 -0.000 3.061) 3.820 10.158 ( -1.420 0.000 5.933) 6.101 10.533 ( 2.327 -0.000 -7.077) 7.450 10.735 ( 4.610 -0.000 2.267) 5.137 11.112 ( -0.251 0.000 1.676) 1.694 11.726 ( -1.287 0.000 -10.737) 10.814 12.256 ( -5.878 0.000 1.715) 6.123 14.291 ( -2.493 0.000 9.407) 9.731 14.601 ( -2.264 0.000 10.750) 10.986 ======================= Grid point 387 (197/275) ======================= q-point: (-0.33 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 4.702 0.397 7.317) 8.707 2.483 ( 2.851 -0.333 0.659) 2.945 2.581 ( 3.142 3.581 -6.276) 7.879 2.632 ( 3.099 5.244 4.253) 7.429 2.802 ( 1.202 -1.666 1.271) 2.416 3.222 ( 3.751 -1.407 1.917) 4.441 3.779 ( -1.197 -7.621 6.952) 10.385 4.077 ( -0.289 3.749 7.895) 8.745 4.233 ( -3.534 -1.537 9.092) 9.875 4.583 ( -5.933 -0.070 -1.299) 6.074 4.793 ( 1.743 -1.797 -8.864) 9.211 5.287 ( -4.230 1.925 2.778) 5.414 5.527 ( -4.376 4.182 3.084) 6.793 5.973 ( -0.188 -4.564 -2.692) 5.302 6.234 ( 14.743 -5.316 -2.220) 15.828 6.535 ( 8.347 1.677 -3.342) 9.146 7.403 ( -1.787 4.062 -2.070) 4.896 7.779 ( 6.595 0.814 4.321) 7.926 7.944 ( -4.721 2.650 -0.843) 5.479 8.166 ( 7.190 -3.505 7.540) 10.992 8.890 ( -10.190 4.569 3.324) 11.651 9.195 ( 1.732 3.591 1.950) 4.438 9.440 ( -1.141 -0.535 -4.692) 4.858 9.906 ( -12.759 -3.330 -17.210) 21.681 10.181 ( 5.623 2.016 2.643) 6.533 10.356 ( 12.188 -5.200 3.841) 13.796 10.562 ( 5.078 2.070 -5.496) 7.764 10.860 ( 5.441 -2.924 4.792) 7.818 11.116 ( 2.314 0.918 -1.971) 3.175 11.670 ( -0.847 2.090 -9.318) 9.587 12.142 ( -9.648 -1.575 1.391) 9.874 14.268 ( -1.865 2.219 9.932) 10.346 14.598 ( -2.952 -1.995 10.415) 11.007 ======================= Grid point 388 (198/275) ======================= q-point: (-0.22 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -6.726 1.228 6.203) 9.232 2.476 ( -3.072 4.236 1.056) 5.338 2.566 ( 2.756 5.974 0.443) 6.594 2.719 ( 9.081 1.247 1.157) 9.239 2.882 ( 2.384 -3.107 4.863) 6.244 3.361 ( 11.158 0.269 3.158) 11.599 3.868 ( -1.610 -8.582 4.507) 9.826 4.039 ( -1.596 6.329 8.963) 11.088 4.196 ( -2.257 -3.000 -1.955) 4.233 4.477 ( -9.457 -2.572 6.832) 11.947 4.827 ( 1.153 -1.828 -2.255) 3.124 5.193 ( -4.639 2.929 0.139) 5.489 5.414 ( -2.842 4.735 -3.251) 6.408 6.038 ( 2.752 -4.614 -2.836) 6.075 6.501 ( 10.462 -6.466 -2.723) 12.597 6.693 ( 12.793 0.012 -1.053) 12.836 7.288 ( -5.183 5.203 -2.435) 7.737 7.685 ( -6.625 9.429 -3.287) 11.983 7.989 ( 5.853 -0.387 6.708) 8.911 8.322 ( 3.589 -3.289 9.168) 10.380 8.711 ( -7.848 1.882 0.283) 8.076 9.135 ( 0.523 10.457 -2.455) 10.754 9.422 ( -2.048 -4.036 -2.962) 5.410 9.699 ( -12.383 -4.155 -10.151) 16.542 10.285 ( 6.025 -2.197 0.556) 6.438 10.567 ( 5.666 0.611 2.032) 6.050 10.694 ( 13.122 -4.590 -0.945) 13.934 10.930 ( 0.125 0.729 6.153) 6.197 11.191 ( 9.356 0.593 -7.148) 11.789 11.611 ( 0.173 2.723 -7.494) 7.976 11.989 ( -12.633 -3.485 -0.584) 13.118 14.244 ( -0.380 3.628 10.407) 11.028 14.602 ( -3.226 -2.844 9.790) 10.693 ======================= Grid point 389 (199/275) ======================= q-point: (-0.11 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -7.238 -2.702 6.138) 9.867 2.351 ( -4.734 6.275 -0.181) 7.863 2.547 ( 2.613 5.845 3.537) 7.314 2.835 ( 4.786 0.051 4.321) 6.448 2.944 ( 2.890 2.355 6.861) 7.808 3.503 ( 3.290 2.114 1.077) 4.056 3.889 ( -6.446 -4.766 0.245) 8.020 3.982 ( 3.221 5.850 7.987) 10.411 4.242 ( 2.172 -3.482 0.409) 4.124 4.415 ( -6.207 -7.597 11.221) 14.905 4.832 ( -2.316 0.093 3.686) 4.354 5.083 ( -3.588 3.729 -2.905) 5.935 5.340 ( 1.203 2.627 -9.347) 9.784 6.135 ( 5.261 -2.016 -2.969) 6.368 6.695 ( 8.500 -2.723 -1.183) 9.003 6.854 ( 3.866 2.498 -1.428) 4.820 7.179 ( -1.097 -2.561 -3.778) 4.694 7.461 ( -7.056 8.962 -0.714) 11.429 8.047 ( 1.558 5.920 7.492) 9.675 8.386 ( -0.618 -0.109 7.772) 7.798 8.593 ( -7.032 -2.211 -1.808) 7.590 9.032 ( 1.160 6.812 -5.028) 8.546 9.396 ( -7.476 -4.189 -5.884) 10.395 9.601 ( -2.069 -4.905 0.799) 5.383 10.402 ( 3.278 -4.510 -0.047) 5.576 10.625 ( 4.114 2.778 2.235) 5.444 10.825 ( -2.262 1.543 6.627) 7.171 10.987 ( 3.198 -3.714 -5.306) 7.223 11.361 ( 17.273 3.007 -4.336) 18.061 11.597 ( 2.220 0.780 -5.692) 6.159 11.822 ( -11.695 -5.340 -5.050) 13.812 14.237 ( 0.691 3.369 10.458) 11.009 14.605 ( -2.797 -1.943 9.197) 9.807 ======================= Grid point 396 (200/275) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -7.506 0.000 11.295) 13.562 2.467 ( -3.180 0.000 0.784) 3.276 2.648 ( 3.524 -0.000 -1.075) 3.684 2.794 ( 1.039 -0.000 3.736) 3.878 2.797 ( 8.930 -0.000 1.171) 9.007 3.387 ( 14.707 -0.000 -0.413) 14.713 3.743 ( 0.145 -0.000 4.063) 4.066 4.117 ( 1.181 -0.000 3.532) 3.724 4.167 ( -5.442 0.000 3.201) 6.313 4.447 ( -10.487 0.000 5.979) 12.071 4.805 ( 1.923 -0.000 -2.402) 3.077 5.224 ( -5.447 0.000 1.427) 5.630 5.470 ( -5.200 0.000 -0.467) 5.221 5.980 ( 5.210 -0.000 -4.835) 7.108 6.416 ( 12.103 -0.000 -2.815) 12.426 6.703 ( 11.825 -0.000 -2.513) 12.089 7.359 ( -5.778 0.000 -1.637) 6.006 7.830 ( -7.698 0.000 -5.790) 9.633 7.940 ( 7.800 -0.000 6.667) 10.261 8.274 ( 4.244 -0.000 11.607) 12.358 8.730 ( -10.687 0.000 -0.079) 10.688 9.246 ( 2.057 -0.000 2.470) 3.214 9.449 ( 0.737 -0.000 0.201) 0.764 9.601 ( -15.390 0.000 -18.375) 23.968 10.266 ( 3.159 -0.000 1.931) 3.703 10.560 ( 13.494 -0.000 4.327) 14.171 10.649 ( 6.414 -0.000 -6.740) 9.304 10.928 ( 1.570 -0.000 8.859) 8.997 11.203 ( 10.210 -0.000 -7.116) 12.445 11.647 ( -0.377 0.000 -8.500) 8.508 11.947 ( -13.637 0.000 0.968) 13.671 14.297 ( 0.354 -0.000 10.815) 10.820 14.559 ( -3.604 0.000 9.519) 10.179 ======================= Grid point 397 (201/275) ======================= q-point: (-0.22 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -10.483 1.761 11.429) 15.608 2.389 ( -8.934 -1.597 0.936) 9.124 2.682 ( 3.450 4.798 5.511) 8.080 2.846 ( 6.415 1.359 2.208) 6.919 2.942 ( 6.495 -1.845 1.017) 6.828 3.576 ( 7.726 3.974 0.143) 8.690 3.782 ( -1.509 -4.568 1.981) 5.203 4.096 ( 1.858 3.693 -0.178) 4.138 4.176 ( 3.882 -2.512 -1.094) 4.752 4.303 ( -11.232 -2.375 14.410) 18.424 4.825 ( -0.411 -0.334 5.030) 5.057 5.132 ( -4.961 0.918 -1.275) 5.203 5.384 ( -2.909 1.180 -6.040) 6.807 6.093 ( 8.885 -1.287 -4.934) 10.244 6.608 ( 10.220 -3.237 -2.747) 11.067 6.887 ( 11.246 0.494 -1.798) 11.400 7.212 ( -9.160 2.884 -2.099) 9.830 7.645 ( -8.081 6.764 -4.933) 11.636 8.061 ( 1.530 -3.508 7.231) 8.181 8.340 ( -1.631 -1.489 11.013) 11.232 8.591 ( -5.833 0.444 -1.800) 6.120 9.224 ( -4.818 9.070 -7.752) 12.867 9.325 ( -4.541 -1.831 -4.900) 6.927 9.508 ( -0.433 -4.720 1.682) 5.029 10.313 ( 0.658 -2.617 1.666) 3.171 10.688 ( 5.148 3.241 -0.891) 6.149 10.777 ( 4.274 -4.616 -1.261) 6.416 10.958 ( 0.124 0.277 6.726) 6.733 11.411 ( 17.783 1.283 -7.541) 19.358 11.620 ( 0.979 1.326 -6.727) 6.926 11.728 ( -14.101 -3.072 -1.691) 14.530 14.327 ( 1.902 3.857 10.974) 11.787 14.542 ( -3.214 -3.051 8.297) 9.406 ======================= Grid point 398 (202/275) ======================= q-point: (-0.11 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -10.053 -1.682 10.683) 14.765 2.228 ( -12.369 -1.492 1.893) 12.601 2.695 ( 4.612 7.151 4.383) 9.571 2.961 ( 7.514 3.017 8.610) 11.819 3.049 ( 5.422 0.393 0.408) 5.451 3.527 ( -4.137 5.522 -5.118) 8.590 3.741 ( -8.061 -2.121 1.900) 8.550 4.134 ( 3.835 4.979 7.642) 9.894 4.237 ( -2.408 -3.388 16.316) 16.837 4.332 ( 6.408 -6.691 -2.519) 9.601 4.823 ( -0.991 1.201 6.466) 6.651 5.054 ( -2.127 1.273 -2.893) 3.810 5.334 ( 0.092 -0.436 -9.275) 9.286 6.249 ( 10.788 0.532 -4.435) 11.676 6.764 ( 3.166 -0.912 -1.757) 3.734 6.935 ( -0.875 6.545 -1.923) 6.878 7.135 ( 3.183 -5.360 -3.332) 7.069 7.422 ( -7.886 6.866 -1.593) 10.576 8.096 ( -3.345 -1.052 8.133) 8.856 8.303 ( -7.708 -4.009 3.758) 9.466 8.501 ( -3.547 3.268 0.594) 4.860 8.991 ( -10.234 1.321 -12.176) 15.961 9.323 ( 2.467 2.379 2.839) 4.450 9.588 ( 3.727 -3.044 4.021) 6.271 10.350 ( -2.491 -5.986 1.642) 6.688 10.710 ( 1.180 1.655 -0.083) 2.035 10.821 ( -0.554 0.549 3.183) 3.277 10.939 ( -3.659 0.146 -1.969) 4.157 11.489 ( -8.645 -0.194 -3.290) 9.252 11.609 ( 0.013 -3.819 -6.237) 7.314 11.777 ( 19.982 0.549 -6.697) 21.081 14.326 ( 0.877 5.334 9.365) 10.813 14.568 ( -0.880 -3.440 8.181) 8.919 ======================= Grid point 406 (203/275) ======================= q-point: (-0.22 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( -11.851 0.000 14.820) 18.976 2.192 ( -13.848 0.000 1.268) 13.906 2.793 ( 3.950 -0.000 5.230) 6.554 2.996 ( 10.328 -0.000 7.386) 12.697 3.034 ( 6.064 -0.000 -2.856) 6.703 3.609 ( -4.891 0.000 -5.408) 7.292 3.710 ( -6.443 0.000 3.309) 7.243 4.177 ( -7.425 0.000 19.819) 21.164 4.224 ( 9.570 -0.000 -0.645) 9.592 4.240 ( 6.368 -0.000 -0.923) 6.435 4.837 ( -0.069 0.000 8.498) 8.499 5.063 ( -2.915 0.000 -2.384) 3.765 5.329 ( -1.724 0.000 -8.527) 8.700 6.252 ( 12.647 -0.000 -5.034) 13.612 6.746 ( 9.691 -0.000 -2.707) 10.062 7.042 ( -12.510 0.000 -1.549) 12.605 7.056 ( 9.515 -0.000 -1.968) 9.716 7.529 ( -9.344 0.000 -5.955) 11.080 7.999 ( -6.518 0.000 5.387) 8.457 8.302 ( -6.402 0.000 10.968) 12.699 8.536 ( -2.023 0.000 -1.293) 2.401 9.014 ( -13.951 0.000 -15.590) 20.921 9.381 ( 5.102 -0.000 4.598) 6.868 9.536 ( 4.333 -0.000 4.959) 6.585 10.275 ( -3.878 0.000 2.423) 4.573 10.732 ( -1.973 0.000 -0.230) 1.987 10.799 ( 3.477 -0.000 -3.904) 5.228 10.961 ( -2.652 0.000 6.146) 6.694 11.477 ( -12.118 0.000 -3.075) 12.502 11.570 ( 1.318 -0.000 -7.099) 7.220 11.785 ( 20.750 -0.000 -6.227) 21.664 14.433 ( 3.612 -0.000 11.426) 11.984 14.484 ( -3.117 0.000 5.432) 6.263 ======================= Grid point 407 (204/275) ======================= q-point: (-0.11 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -11.572 0.377 11.873) 16.583 1.985 ( -13.934 -3.837 7.889) 16.466 2.831 ( 2.637 3.944 2.887) 5.554 3.096 ( 1.796 -0.209 -4.834) 5.161 3.192 ( 10.322 5.405 10.644) 15.781 3.487 ( -2.390 1.026 -6.955) 7.425 3.578 ( -11.198 -1.284 7.758) 13.683 4.158 ( -2.867 -1.168 15.886) 16.185 4.322 ( 4.885 3.032 7.933) 9.797 4.393 ( 7.832 -3.560 -1.460) 8.726 4.860 ( 1.324 1.577 3.478) 4.042 5.040 ( 0.823 -0.125 -1.822) 2.003 5.301 ( 0.518 -1.409 -7.705) 7.850 6.451 ( 13.557 1.168 -4.400) 14.301 6.753 ( -9.897 8.435 -1.374) 13.076 6.947 ( 4.524 -5.549 -1.780) 7.377 7.171 ( 3.911 1.295 -2.761) 4.960 7.342 ( -7.260 1.561 -3.613) 8.258 7.939 ( -7.949 -8.952 3.573) 12.493 8.172 ( -10.841 2.442 6.957) 13.111 8.482 ( -3.634 1.762 0.498) 4.069 8.770 ( -11.248 -0.001 -13.023) 17.208 9.461 ( 6.476 4.451 6.533) 10.219 9.654 ( 6.087 -2.216 4.999) 8.182 10.219 ( -6.375 -4.898 2.337) 8.372 10.690 ( -2.538 -0.358 -1.418) 2.929 10.829 ( 0.425 -1.045 -1.328) 1.743 10.887 ( -5.861 3.507 4.546) 8.205 11.328 ( -5.972 -0.915 -5.668) 8.284 11.554 ( -1.687 -2.127 -6.474) 7.020 12.095 ( 18.482 0.561 -5.699) 19.349 14.413 ( -0.458 5.567 4.898) 7.429 14.554 ( 1.761 -4.181 9.047) 10.121 ======================= Grid point 416 (205/275) ======================= q-point: (-0.11 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -12.931 0.000 8.192) 15.308 1.831 ( -8.442 0.000 19.363) 21.124 2.875 ( -0.278 0.000 1.975) 1.995 3.054 ( -4.327 0.000 -8.041) 9.131 3.337 ( -8.009 0.000 8.462) 11.651 3.425 ( -0.316 0.000 -8.937) 8.943 3.553 ( 10.335 -0.000 15.765) 18.851 4.163 ( -0.308 0.000 11.658) 11.662 4.386 ( -1.312 0.000 11.275) 11.351 4.542 ( 12.301 -0.000 0.380) 12.306 4.881 ( -0.606 0.000 -3.406) 3.459 5.071 ( 3.349 -0.000 -0.664) 3.414 5.298 ( 1.927 -0.000 -3.334) 3.851 6.526 ( -9.702 0.000 -2.675) 10.064 6.751 ( 9.365 -0.000 -1.437) 9.474 6.995 ( 5.633 -0.000 -1.154) 5.750 7.169 ( -9.912 0.000 -6.243) 11.714 7.260 ( 3.550 -0.000 -0.927) 3.669 7.762 ( -7.973 0.000 3.075) 8.545 8.000 ( -13.909 0.000 6.320) 15.277 8.420 ( -4.232 0.000 -0.289) 4.242 8.589 ( -6.868 0.000 -12.693) 14.432 9.630 ( 8.173 -0.000 9.318) 12.394 9.763 ( 7.483 -0.000 3.964) 8.468 10.088 ( -6.123 0.000 2.076) 6.466 10.649 ( -1.549 0.000 -2.470) 2.915 10.812 ( -1.403 0.000 0.802) 1.616 10.816 ( -7.138 0.000 5.481) 8.999 11.257 ( -0.980 0.000 -6.989) 7.058 11.474 ( -4.278 0.000 -6.080) 7.434 12.331 ( 11.945 -0.000 -5.539) 13.167 14.437 ( -0.879 0.000 -0.465) 0.994 14.593 ( 1.984 -0.000 10.979) 11.157 ======================= Grid point 417 (206/275) ======================= q-point: ( 0.00 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 9.578 -0.000 13.842) 16.833 2.155 ( -2.977 0.000 18.028) 18.272 2.564 ( -8.095 0.000 -11.556) 14.109 2.732 ( -2.767 0.000 -2.697) 3.864 3.137 ( -0.474 0.000 -13.325) 13.334 3.386 ( -1.580 0.000 7.974) 8.129 4.163 ( 1.992 -0.000 11.724) 11.892 4.321 ( 1.349 -0.000 -1.105) 1.744 4.536 ( -1.165 0.000 1.233) 1.696 4.638 ( -1.929 0.000 -1.811) 2.646 5.023 ( 5.432 -0.000 3.765) 6.609 5.148 ( -0.565 0.000 0.418) 0.703 5.397 ( -1.991 0.000 5.493) 5.842 6.097 ( -4.033 0.000 -3.809) 5.547 6.852 ( -1.803 0.000 -1.009) 2.066 6.981 ( -2.144 0.000 1.644) 2.702 7.131 ( 1.365 -0.000 3.294) 3.565 7.270 ( -0.964 0.000 -2.789) 2.951 7.602 ( -5.121 0.000 3.086) 5.979 7.809 ( 2.163 -0.000 1.157) 2.453 8.282 ( 3.246 -0.000 -7.135) 7.838 8.358 ( 3.910 -0.000 -2.630) 4.713 10.004 ( -0.968 0.000 0.635) 1.158 10.050 ( 5.682 -0.000 0.252) 5.688 10.104 ( 7.235 -0.000 2.224) 7.569 10.502 ( -5.902 0.000 -0.052) 5.902 10.760 ( -5.583 0.000 6.837) 8.827 10.812 ( -1.600 0.000 2.692) 3.131 11.104 ( 0.193 -0.000 -4.735) 4.739 11.225 ( 1.565 -0.000 -5.329) 5.554 12.412 ( 0.503 -0.000 -2.689) 2.736 14.357 ( -1.173 0.000 -0.867) 1.459 14.830 ( -0.405 0.000 5.506) 5.521 ======================= Grid point 418 (207/275) ======================= q-point: ( 0.11 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( -0.880 1.006 17.085) 17.137 2.249 ( 13.712 -1.194 9.120) 16.511 2.419 ( -5.294 -0.707 -7.607) 9.295 2.670 ( -2.561 2.902 -0.032) 3.871 3.050 ( -0.805 5.764 -11.656) 13.028 3.423 ( -0.151 -4.362 7.837) 8.971 4.157 ( -6.313 -0.984 11.048) 12.762 4.380 ( 5.487 -0.226 -4.784) 7.284 4.521 ( -0.996 2.054 3.387) 4.084 4.604 ( -0.858 0.565 -1.775) 2.051 5.010 ( -6.933 -1.503 -0.649) 7.124 5.098 ( -4.087 2.029 0.093) 4.564 5.350 ( -5.532 0.322 6.677) 8.677 6.120 ( 5.827 -1.131 0.674) 5.974 6.721 ( -7.738 8.573 0.496) 11.559 6.916 ( 5.066 10.231 0.381) 11.423 7.201 ( -2.642 -7.528 1.492) 8.117 7.262 ( -2.211 -5.641 -1.465) 6.233 7.591 ( -2.709 -7.494 5.263) 9.550 7.943 ( 9.221 -3.893 0.383) 10.016 8.357 ( 9.885 1.868 -7.306) 12.432 8.464 ( 8.312 -1.654 -4.040) 9.388 9.972 ( -0.881 2.637 -0.571) 2.839 10.114 ( 1.385 4.885 -5.139) 7.224 10.210 ( 6.074 -3.778 -2.685) 7.641 10.421 ( -5.161 -2.542 5.650) 8.063 10.666 ( -2.518 5.556 7.920) 9.997 10.820 ( -2.078 -3.916 4.971) 6.661 11.088 ( -0.215 0.163 -4.645) 4.652 11.284 ( 5.859 -0.516 -4.723) 7.543 12.377 ( -3.649 0.576 -2.695) 4.572 14.333 ( -0.901 0.974 0.820) 1.560 14.831 ( -1.758 -0.809 5.128) 5.481 ======================= Grid point 419 (208/275) ======================= q-point: ( 0.22 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -0.516 -0.494 13.645) 13.663 2.281 ( -3.281 -0.904 -8.150) 8.832 2.571 ( 8.380 -1.166 8.128) 11.732 2.609 ( 3.994 3.053 4.270) 6.596 2.957 ( 0.457 4.917 -8.138) 9.519 3.507 ( 3.284 -2.571 7.384) 8.480 4.062 ( -10.651 -2.105 7.556) 13.228 4.414 ( -4.547 5.476 -0.835) 7.166 4.429 ( -1.720 1.386 -1.201) 2.514 4.631 ( 5.786 1.095 -1.142) 5.999 4.909 ( -6.970 -3.981 -2.071) 8.289 5.005 ( -3.530 1.368 -2.271) 4.415 5.255 ( -8.299 -0.094 8.025) 11.545 6.256 ( 3.638 -4.551 6.166) 8.483 6.506 ( -3.018 10.591 -3.060) 11.430 6.921 ( 7.637 10.090 -0.230) 12.656 7.174 ( -8.414 -8.081 -1.696) 11.789 7.326 ( 2.042 -3.321 1.191) 4.077 7.694 ( 1.295 -9.809 6.814) 12.013 8.131 ( 6.717 -5.916 -0.030) 8.951 8.503 ( 11.485 1.519 -5.434) 12.796 8.619 ( 9.379 -1.980 -4.557) 10.614 9.873 ( -7.080 5.726 -3.922) 9.914 9.988 ( -4.473 4.615 -5.513) 8.468 10.372 ( 3.879 -2.163 0.481) 4.467 10.422 ( 5.803 -1.437 2.261) 6.392 10.654 ( 4.088 2.282 7.794) 9.092 10.855 ( -0.733 -3.994 7.000) 8.092 11.068 ( -0.877 -0.456 -4.846) 4.946 11.374 ( 6.462 0.590 -4.689) 8.006 12.264 ( -8.312 1.172 -3.044) 8.929 14.318 ( 0.228 1.457 2.885) 3.240 14.817 ( -3.067 -1.299 4.852) 5.885 ======================= Grid point 420 (209/275) ======================= q-point: ( 0.33 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -2.684 -2.316 -0.938) 3.667 2.287 ( 1.617 -2.541 6.626) 7.278 2.566 ( 3.292 5.281 2.027) 6.545 2.782 ( 5.014 -1.397 5.380) 7.486 2.951 ( 2.430 -1.957 1.870) 3.637 3.609 ( 4.730 1.835 5.963) 7.829 3.903 ( -11.975 -2.797 -0.429) 12.305 4.222 ( -8.621 5.325 1.682) 10.272 4.375 ( -0.643 5.377 -3.274) 6.329 4.724 ( 5.613 1.012 1.595) 5.923 4.861 ( -5.166 -4.841 -0.080) 7.080 4.978 ( 2.711 -0.408 -6.008) 6.604 5.140 ( -9.305 -1.805 8.315) 12.609 6.240 ( -7.415 0.969 3.280) 8.166 6.509 ( 10.261 1.836 -1.379) 10.515 6.911 ( 2.120 6.945 -0.239) 7.265 7.133 ( -6.032 -7.375 -1.939) 9.723 7.388 ( 2.918 -0.147 0.940) 3.069 7.852 ( 3.106 -8.210 7.450) 11.513 8.277 ( 3.491 -6.022 -0.041) 6.961 8.637 ( 7.016 0.640 -2.872) 7.609 8.765 ( 7.399 -1.679 -4.086) 8.617 9.634 ( -11.115 5.874 -4.713) 13.426 9.857 ( -2.874 7.559 -3.637) 8.867 10.414 ( 2.687 -0.544 5.419) 6.072 10.575 ( 5.278 -2.040 -0.797) 5.714 10.784 ( 8.051 -2.502 2.980) 8.942 10.919 ( 2.176 -1.320 5.144) 5.739 11.063 ( 3.642 -0.545 -2.682) 4.556 11.446 ( 5.058 1.011 -4.967) 7.160 12.066 ( -12.951 1.781 -4.033) 13.681 14.328 ( 1.574 1.377 4.539) 4.997 14.788 ( -3.752 -1.413 4.705) 6.181 ======================= Grid point 421 (210/275) ======================= q-point: (-0.56 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -2.092 -2.881 -1.613) 3.908 2.363 ( 1.501 -1.736 5.412) 5.879 2.575 ( 2.031 3.050 3.041) 4.762 2.903 ( 8.641 -2.104 5.730) 10.580 3.023 ( -1.174 -4.904 7.030) 8.651 3.531 ( -13.694 -0.241 1.887) 13.826 3.831 ( 1.947 2.580 -8.262) 8.871 4.085 ( -3.749 -0.141 5.298) 6.491 4.313 ( 2.224 5.756 -2.904) 6.820 4.766 ( 3.065 6.281 3.385) 7.766 4.841 ( -5.952 -8.596 1.347) 10.541 5.000 ( -4.413 0.036 4.931) 6.618 5.104 ( 4.329 -2.598 -4.575) 6.814 6.143 ( -2.368 1.133 -0.621) 2.697 6.664 ( 7.399 -2.640 0.104) 7.856 6.846 ( -2.396 3.830 -0.540) 4.550 7.120 ( -3.668 -5.111 -1.437) 6.453 7.424 ( 2.416 2.101 0.875) 3.319 7.988 ( 1.895 -5.707 5.681) 8.273 8.385 ( 0.509 -7.795 2.468) 8.192 8.653 ( -0.434 6.101 -2.923) 6.779 8.877 ( 4.186 -2.505 -2.298) 5.392 9.412 ( -7.487 3.911 -2.159) 8.718 9.729 ( -0.986 7.396 -2.472) 7.860 10.487 ( 2.885 -0.437 3.858) 4.837 10.650 ( 3.075 -1.037 1.797) 3.710 10.876 ( -1.835 -3.127 -2.559) 4.438 10.915 ( -2.637 -0.701 3.727) 4.619 11.285 ( 19.923 0.403 -0.655) 19.938 11.488 ( 2.933 0.131 -4.416) 5.303 11.801 ( -14.375 2.716 -5.653) 15.684 14.358 ( 1.451 0.488 5.057) 5.284 14.758 ( -2.827 -0.858 4.698) 5.549 ======================= Grid point 422 (211/275) ======================= q-point: (-0.44 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -4.002 -0.450 -0.518) 4.061 2.365 ( -3.038 1.899 5.542) 6.599 2.607 ( 1.605 -3.408 1.563) 4.078 3.042 ( -2.296 -2.971 1.969) 4.240 3.151 ( 12.643 -3.432 13.032) 18.478 3.300 ( -13.725 -2.516 -4.885) 14.784 3.770 ( -3.119 1.870 -3.111) 4.786 4.134 ( 2.945 -4.414 3.184) 6.188 4.321 ( 5.976 3.736 -3.712) 7.965 4.719 ( 0.615 9.669 9.042) 13.253 4.854 ( -5.968 -8.970 1.313) 10.854 4.937 ( -3.082 -1.615 0.272) 3.490 5.206 ( 7.434 1.666 -4.055) 8.631 6.156 ( 3.379 -2.909 -2.005) 4.889 6.727 ( -4.183 0.728 -2.577) 4.967 6.820 ( 3.227 -2.889 0.803) 4.405 7.112 ( -2.007 -2.742 -1.093) 3.569 7.424 ( 1.375 3.905 0.815) 4.219 8.068 ( -0.957 -5.942 3.013) 6.731 8.459 ( -4.265 -6.717 3.618) 8.740 8.492 ( -4.913 10.886 -1.606) 12.051 8.888 ( -3.280 2.864 -2.716) 5.132 9.338 ( 1.394 -0.747 1.984) 2.537 9.683 ( 2.675 2.496 -0.380) 3.678 10.504 ( -1.165 2.245 2.992) 3.918 10.718 ( 2.471 -0.716 3.000) 3.952 10.800 ( -4.578 -0.101 -7.872) 9.107 10.915 ( -3.688 -3.022 7.953) 9.273 11.387 ( -8.024 -0.893 -5.237) 9.623 11.570 ( -3.471 4.331 -8.762) 10.372 11.690 ( 20.059 -0.398 0.029) 20.063 14.382 ( -0.591 -1.179 3.980) 4.193 14.748 ( -0.202 0.505 5.007) 5.037 ======================= Grid point 423 (212/275) ======================= q-point: (-0.33 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( -6.801 2.506 2.710) 7.738 2.282 ( -5.974 2.192 9.363) 11.320 2.704 ( 3.186 -6.435 -2.285) 7.536 2.998 ( -6.033 -1.827 -6.054) 8.740 3.103 ( -11.008 -5.259 -0.648) 12.217 3.478 ( 15.152 -2.244 8.953) 17.742 3.704 ( -2.055 1.045 2.511) 3.409 4.252 ( 2.819 -6.082 3.171) 7.416 4.385 ( 6.429 1.677 -3.657) 7.584 4.648 ( -0.380 7.730 11.113) 13.543 4.823 ( -5.463 -3.824 -0.319) 6.676 4.963 ( 3.147 -2.128 -3.549) 5.198 5.280 ( 5.628 2.661 -0.230) 6.230 6.295 ( 6.498 -8.249 -2.021) 10.694 6.611 ( -6.093 2.506 -3.698) 7.555 6.891 ( -3.115 -8.145 0.421) 8.731 7.120 ( 3.077 1.605 -1.508) 3.784 7.395 ( 1.149 5.218 0.512) 5.368 8.099 ( -4.444 -6.097 1.040) 7.616 8.227 ( -7.609 13.463 -2.021) 15.596 8.460 ( -6.191 -3.840 3.718) 8.179 8.713 ( -9.243 7.009 -1.435) 11.688 9.463 ( 8.026 -4.388 4.264) 10.092 9.743 ( 4.437 -1.261 2.005) 5.030 10.415 ( -5.487 5.610 3.289) 8.508 10.682 ( -3.855 1.312 -4.275) 5.904 10.769 ( -1.886 -2.307 -0.058) 2.980 10.912 ( -2.645 -3.523 6.161) 7.574 11.223 ( -8.273 -0.560 -5.445) 9.920 11.481 ( -0.933 4.089 -8.178) 9.191 12.008 ( 17.454 -0.616 -1.441) 17.524 14.386 ( -2.100 -2.406 1.761) 3.647 14.765 ( 1.796 1.649 5.516) 6.031 ======================= Grid point 424 (213/275) ======================= q-point: (-0.22 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -5.539 2.608 7.783) 9.902 2.201 ( -5.490 0.860 13.620) 14.709 2.774 ( -2.612 -4.154 -4.164) 6.436 2.901 ( -5.293 -1.660 -7.118) 9.024 3.040 ( -4.070 -9.469 -9.093) 13.744 3.553 ( -3.374 4.287 3.791) 6.643 3.844 ( 13.654 0.321 11.206) 17.666 4.334 ( -1.177 -3.168 5.496) 6.452 4.470 ( 4.335 -1.577 0.009) 4.613 4.648 ( 5.176 1.624 5.127) 7.464 4.773 ( -2.071 1.007 -1.728) 2.880 5.040 ( 4.664 -1.362 -2.388) 5.414 5.339 ( 3.977 1.358 2.849) 5.077 6.423 ( -11.473 -6.745 -2.988) 13.641 6.547 ( 9.804 -3.400 -2.753) 10.735 6.905 ( -7.140 -11.090 -0.198) 13.191 7.159 ( 6.835 6.754 -1.344) 9.702 7.358 ( 1.520 5.792 -0.206) 5.992 7.951 ( -5.440 14.383 -3.703) 15.817 8.048 ( -10.844 -3.733 4.449) 12.301 8.386 ( -5.882 -1.231 -2.208) 6.402 8.486 ( -9.358 4.844 1.038) 10.589 9.676 ( 9.425 -5.470 5.585) 12.245 9.844 ( 4.774 -1.980 2.887) 5.920 10.250 ( -6.325 7.153 2.799) 9.950 10.612 ( -1.557 1.339 -3.601) 4.145 10.758 ( -4.081 -5.374 1.163) 6.847 10.924 ( -1.969 -1.004 5.035) 5.499 11.123 ( -3.017 -0.366 -5.461) 6.249 11.387 ( -2.958 3.682 -7.316) 8.708 12.242 ( 11.165 -0.666 -2.185) 11.396 14.381 ( -1.854 -2.310 -0.376) 2.986 14.793 ( 1.847 1.724 5.821) 6.345 ======================= Grid point 425 (214/275) ======================= q-point: (-0.11 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 0.432 1.147 12.490) 12.550 2.163 ( -3.992 -0.099 16.750) 17.219 2.710 ( -7.436 -2.845 -7.587) 10.997 2.798 ( -4.551 0.460 -6.835) 8.224 3.110 ( 0.762 -9.508 -12.089) 15.399 3.447 ( -3.193 6.189 5.674) 8.983 4.047 ( 9.292 1.837 10.046) 13.807 4.329 ( -2.631 -0.885 4.859) 5.596 4.535 ( -0.394 -2.732 3.376) 4.361 4.683 ( -2.576 -0.592 -5.784) 6.359 4.845 ( 13.322 2.020 5.621) 14.600 5.118 ( 3.289 -1.132 -0.707) 3.549 5.387 ( 1.424 0.132 4.500) 4.722 6.243 ( -11.491 -0.787 -4.579) 12.395 6.773 ( 3.847 -12.647 -0.886) 13.249 6.926 ( -2.206 -8.407 -0.506) 8.706 7.161 ( 4.308 9.955 0.894) 10.884 7.313 ( 1.091 6.137 -1.406) 6.390 7.732 ( -4.561 9.588 -0.488) 10.629 7.887 ( -10.865 -0.070 3.425) 11.393 8.295 ( -3.283 0.073 -5.765) 6.635 8.361 ( -2.887 0.757 -0.034) 2.985 9.894 ( 7.707 -5.743 4.643) 10.674 9.950 ( 5.124 -1.706 2.390) 5.906 10.106 ( -2.339 6.894 2.294) 7.633 10.572 ( -1.651 1.054 -2.234) 2.971 10.767 ( -3.798 -6.836 2.702) 8.274 10.879 ( -3.189 3.425 4.517) 6.504 11.100 ( 0.043 -1.670 -5.247) 5.507 11.278 ( -3.215 2.923 -6.226) 7.592 12.372 ( 5.179 -0.453 -2.588) 5.807 14.373 ( -1.275 -1.273 -1.395) 2.278 14.816 ( 0.856 0.988 5.801) 5.947 ======================= Grid point 427 (215/275) ======================= q-point: ( 0.11 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -0.487 0.000 18.144) 18.150 2.267 ( -4.999 0.000 -10.418) 11.555 2.535 ( 12.288 -0.000 11.366) 16.739 2.660 ( -1.215 0.000 3.402) 3.612 3.020 ( -2.102 0.000 -10.717) 10.921 3.477 ( 7.136 -0.000 6.986) 9.986 4.032 ( -11.834 0.000 9.070) 14.910 4.438 ( 3.208 -0.000 -6.226) 7.004 4.481 ( -6.782 0.000 3.624) 7.690 4.643 ( 5.365 -0.000 -1.103) 5.477 4.844 ( -9.488 0.000 -3.885) 10.253 5.038 ( -3.775 0.000 -0.925) 3.887 5.257 ( -8.456 0.000 8.344) 11.879 6.205 ( 2.237 -0.000 5.918) 6.327 6.650 ( -3.638 0.000 -1.299) 3.863 7.070 ( -7.787 0.000 -1.628) 7.955 7.125 ( 10.034 -0.000 -0.546) 10.049 7.175 ( -2.941 0.000 1.207) 3.179 7.571 ( 3.098 -0.000 6.008) 6.759 8.082 ( 9.507 -0.000 1.369) 9.605 8.554 ( 14.256 -0.000 -8.256) 16.474 8.574 ( 7.238 -0.000 -3.083) 7.867 9.968 ( -1.088 0.000 -2.635) 2.850 10.016 ( -11.802 0.000 -6.868) 13.655 10.336 ( 11.457 -0.000 -4.546) 12.326 10.391 ( -0.095 0.000 6.792) 6.793 10.711 ( 1.137 -0.000 10.727) 10.787 10.793 ( 1.207 -0.000 4.551) 4.709 11.058 ( -1.528 0.000 -3.841) 4.134 11.384 ( 7.122 -0.000 -4.595) 8.476 12.277 ( -8.138 0.000 -3.612) 8.903 14.339 ( 0.608 -0.000 2.449) 2.524 14.799 ( -3.362 0.000 4.810) 5.868 ======================= Grid point 428 (216/275) ======================= q-point: ( 0.22 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -2.940 0.383 -3.614) 4.675 2.251 ( 1.027 -0.907 14.933) 14.996 2.660 ( 3.124 2.723 5.041) 6.526 2.720 ( 4.363 -3.231 8.832) 10.367 2.954 ( -1.654 1.486 -6.488) 6.858 3.640 ( 7.239 0.947 5.639) 9.224 3.842 ( -12.258 -2.076 3.549) 12.930 4.320 ( -11.544 3.124 1.252) 12.024 4.445 ( 0.664 1.000 -5.900) 6.021 4.707 ( -4.911 -1.553 -1.458) 5.353 4.763 ( 4.529 -2.354 0.043) 5.105 5.008 ( 2.823 1.326 -4.251) 5.272 5.133 ( -9.436 0.340 10.012) 13.762 6.193 ( -6.660 -2.263 6.327) 9.461 6.645 ( 7.664 6.427 -2.021) 10.204 6.948 ( -9.486 -4.502 -1.765) 10.647 7.075 ( -2.180 4.746 1.275) 5.376 7.317 ( 5.700 -5.232 -0.288) 7.743 7.700 ( 6.296 -5.227 7.142) 10.862 8.235 ( 8.763 0.836 1.614) 8.950 8.650 ( 4.396 0.538 -2.333) 5.006 8.752 ( 10.835 -0.200 -7.170) 12.994 9.760 ( -12.093 5.318 -4.339) 13.905 9.945 ( -2.142 -0.317 -4.754) 5.224 10.403 ( 1.607 1.592 4.813) 5.318 10.498 ( 4.450 -4.577 -1.375) 6.530 10.775 ( 4.502 0.988 8.641) 9.793 10.888 ( 5.949 -1.395 -0.538) 6.134 11.050 ( 4.170 -0.425 0.386) 4.209 11.466 ( 4.669 0.593 -4.740) 6.680 12.094 ( -12.338 0.734 -5.440) 13.504 14.368 ( 2.702 1.546 4.248) 5.267 14.752 ( -4.754 -1.375 4.574) 6.739 ======================= Grid point 429 (217/275) ======================= q-point: ( 0.33 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -0.604 -0.268 0.124) 0.672 2.327 ( 2.427 -1.203 11.688) 11.998 2.705 ( 4.764 6.780 1.023) 8.349 2.828 ( 2.567 -5.388 8.024) 10.000 2.925 ( -0.541 -1.867 4.687) 5.074 3.508 ( -17.533 -1.866 1.092) 17.666 3.878 ( 7.086 1.561 -2.521) 7.681 4.086 ( -13.007 0.630 1.304) 13.087 4.422 ( 1.486 3.327 -5.036) 6.216 4.640 ( -7.299 -6.996 0.404) 10.118 4.875 ( 6.530 1.471 1.463) 6.852 5.006 ( -8.675 1.251 11.061) 14.112 5.093 ( 10.371 0.865 -6.153) 12.089 6.113 ( -6.800 -2.699 2.060) 7.601 6.711 ( 7.184 5.243 -0.391) 8.903 6.860 ( -6.097 -3.888 -0.960) 7.294 7.001 ( -5.106 -1.696 1.402) 5.560 7.429 ( 3.837 -1.569 -0.400) 4.165 7.895 ( 6.825 -6.014 9.241) 12.967 8.326 ( 4.667 3.727 0.704) 6.014 8.704 ( 1.821 -1.414 -0.100) 2.308 8.855 ( 4.985 0.881 -6.358) 8.128 9.514 ( -9.093 5.469 -2.528) 10.908 9.878 ( -1.750 4.302 -5.507) 7.204 10.433 ( 0.002 -2.259 4.510) 5.044 10.593 ( 2.139 -4.337 2.518) 5.452 10.842 ( 0.901 0.548 1.620) 1.933 10.903 ( -1.667 -1.116 -0.591) 2.091 11.293 ( 20.859 0.289 1.440) 20.911 11.486 ( -0.803 -0.272 -4.030) 4.118 11.854 ( -12.050 2.016 -8.420) 14.838 14.404 ( 2.855 3.271 5.218) 6.789 14.712 ( -4.149 -3.037 4.679) 6.952 ======================= Grid point 430 (218/275) ======================= q-point: (-0.56 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -0.050 0.455 2.027) 2.078 2.404 ( 2.397 0.077 6.381) 6.816 2.638 ( -1.587 7.359 0.019) 7.528 2.918 ( -3.982 -7.680 5.380) 10.187 3.073 ( 10.212 -3.490 14.576) 18.136 3.257 ( -13.788 -1.833 -3.253) 14.285 3.805 ( -8.752 0.471 -4.300) 9.763 4.032 ( 0.208 -3.940 1.388) 4.182 4.406 ( 3.405 3.897 -4.521) 6.871 4.635 ( -5.474 -10.271 0.731) 11.661 4.886 ( -7.418 1.954 10.471) 12.980 4.948 ( 7.215 5.503 1.092) 9.140 5.247 ( 10.785 1.918 -4.343) 11.784 6.069 ( -2.831 -4.287 -1.449) 5.338 6.721 ( -5.895 -5.924 -0.125) 8.358 6.824 ( 1.573 6.600 -0.720) 6.823 6.980 ( -2.292 -6.571 1.840) 7.198 7.479 ( 2.281 0.686 -0.536) 2.441 8.067 ( 5.680 -0.417 10.564) 12.002 8.326 ( -1.029 0.115 -0.166) 1.049 8.677 ( -3.812 5.158 -0.648) 6.447 8.897 ( 1.401 -1.625 -3.174) 3.831 9.369 ( -1.478 3.701 -0.077) 3.986 9.786 ( -0.355 5.770 -4.854) 7.548 10.464 ( -2.756 -4.937 3.366) 6.580 10.679 ( 1.877 -2.987 4.408) 5.646 10.778 ( -5.265 -0.626 -7.140) 8.893 10.915 ( 0.064 1.503 6.915) 7.077 11.360 ( -11.036 -1.432 -4.277) 11.923 11.648 ( 8.589 2.096 -8.317) 12.138 11.692 ( 9.727 1.206 -2.888) 10.218 14.405 ( -0.064 3.148 4.548) 5.532 14.720 ( -0.686 -3.020 5.387) 6.214 ======================= Grid point 431 (219/275) ======================= q-point: (-0.44 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -2.906 3.241 2.919) 5.241 2.386 ( -2.209 7.274 4.666) 8.920 2.588 ( 0.044 -3.423 -0.597) 3.475 2.914 ( -7.608 -5.437 -3.142) 9.865 3.003 ( -14.094 -3.891 5.638) 15.671 3.417 ( 16.805 -3.211 9.271) 19.460 3.705 ( -3.545 -2.191 0.046) 4.168 4.100 ( 0.935 -6.687 2.266) 7.123 4.422 ( 3.591 1.873 -4.432) 6.004 4.652 ( -6.681 -8.296 0.953) 10.694 4.801 ( -2.437 1.484 7.991) 8.485 5.004 ( 7.727 6.829 0.260) 10.316 5.349 ( 6.401 3.473 -1.741) 7.488 6.113 ( 0.996 -7.260 -2.712) 7.814 6.681 ( -9.779 -10.736 0.067) 14.522 6.734 ( -2.959 6.317 -1.687) 7.177 7.062 ( 3.252 -4.506 1.455) 5.744 7.495 ( 2.521 2.749 -1.064) 3.878 8.117 ( 1.673 6.563 8.505) 10.872 8.307 ( -5.278 -4.729 -0.558) 7.109 8.511 ( -5.539 8.057 -0.407) 9.786 8.860 ( -3.962 5.429 -0.340) 6.730 9.401 ( 6.694 -0.782 2.098) 7.058 9.744 ( 1.943 1.823 -2.624) 3.739 10.455 ( -4.995 -2.758 2.640) 6.287 10.655 ( -6.690 -2.204 -5.437) 8.898 10.746 ( -1.149 -0.939 3.020) 3.365 10.886 ( -2.683 1.153 4.716) 5.547 11.195 ( -8.005 -1.919 -4.290) 9.283 11.574 ( -0.557 4.294 -10.919) 11.746 11.994 ( 17.066 -0.660 -0.948) 17.105 14.373 ( -1.620 1.374 3.045) 3.713 14.768 ( 1.357 -1.434 5.858) 6.182 ======================= Grid point 432 (220/275) ======================= q-point: (-0.33 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -4.871 4.924 6.412) 9.438 2.267 ( -4.064 6.101 7.611) 10.567 2.677 ( 3.058 -6.975 -3.851) 8.534 2.754 ( -13.413 -6.148 -3.120) 15.081 2.916 ( -6.776 -4.631 -4.525) 9.372 3.622 ( 1.316 1.300 4.385) 4.759 3.819 ( 14.531 -2.521 9.326) 17.449 4.210 ( 0.585 -7.736 5.870) 9.729 4.451 ( 1.117 -0.728 -0.875) 1.595 4.608 ( -4.182 -3.890 -1.989) 6.048 4.822 ( 2.387 -0.061 5.054) 5.589 5.054 ( 6.620 5.167 -0.624) 8.421 5.387 ( 3.220 2.874 0.646) 4.364 6.210 ( -0.577 -8.731 -1.363) 8.855 6.582 ( -10.190 -2.648 0.976) 10.573 6.675 ( -2.622 -5.585 -4.751) 7.787 7.167 ( 3.215 -4.039 1.159) 5.291 7.502 ( 4.715 6.078 -2.043) 7.959 8.035 ( -7.837 3.249 7.912) 11.600 8.230 ( -0.416 7.739 -7.928) 11.087 8.370 ( -5.447 2.193 4.157) 7.195 8.668 ( -7.041 11.873 0.728) 13.823 9.579 ( 10.160 -3.592 4.090) 11.526 9.788 ( 3.079 -2.366 -0.163) 3.887 10.367 ( -6.294 2.277 1.199) 6.800 10.576 ( -5.157 -4.599 -5.328) 8.725 10.693 ( -5.198 -0.034 3.687) 6.373 10.884 ( -0.429 -2.369 2.968) 3.822 11.118 ( -2.873 -0.170 -2.659) 3.918 11.480 ( -1.853 4.603 -9.928) 11.098 12.224 ( 10.766 -0.922 -1.616) 10.926 14.349 ( -1.322 -0.167 1.473) 1.986 14.815 ( 1.319 -0.044 5.838) 5.985 ======================= Grid point 433 (221/275) ======================= q-point: (-0.22 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -0.552 3.251 11.087) 11.567 2.185 ( -3.148 3.073 11.707) 12.506 2.622 ( -8.286 -5.191 -3.666) 10.443 2.771 ( -3.531 -4.322 -7.284) 9.177 2.872 ( -0.537 -9.345 -9.959) 13.668 3.589 ( -1.383 5.846 5.915) 8.430 4.085 ( 12.012 0.614 7.766) 14.316 4.277 ( -2.655 -4.432 6.708) 8.467 4.459 ( -2.135 -3.499 2.805) 4.967 4.631 ( 0.495 -4.315 -4.832) 6.497 4.901 ( 7.113 1.172 5.337) 8.970 5.104 ( 4.269 1.814 -1.434) 4.855 5.401 ( 0.745 1.342 2.849) 3.236 6.206 ( -7.502 -2.471 -1.038) 7.967 6.526 ( -3.907 -10.211 0.341) 10.938 6.717 ( -0.539 -8.862 -4.099) 9.779 7.246 ( 1.217 -2.815 1.534) 3.429 7.492 ( 4.652 10.367 -2.478) 11.630 7.889 ( -8.168 -0.105 4.804) 9.477 8.057 ( -2.025 17.567 -2.747) 17.896 8.327 ( 0.111 -0.514 -2.586) 2.639 8.430 ( -5.886 10.550 0.926) 12.116 9.791 ( 8.593 -3.673 5.113) 10.653 9.880 ( 3.807 -4.215 0.207) 5.683 10.245 ( -3.259 4.709 -0.040) 5.727 10.561 ( -2.742 -5.752 -3.471) 7.256 10.633 ( -4.815 -1.821 4.798) 7.037 10.907 ( -0.763 -1.168 3.396) 3.672 11.074 ( -1.407 0.096 -3.334) 3.620 11.368 ( -2.285 4.879 -8.286) 9.884 12.355 ( 4.903 -1.062 -2.002) 5.401 14.340 ( -0.992 -1.101 0.301) 1.512 14.841 ( 0.522 0.816 5.644) 5.727 ======================= Grid point 434 (222/275) ======================= q-point: (-0.11 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 8.509 1.074 13.087) 15.647 2.160 ( -1.790 0.992 15.167) 15.304 2.539 ( -6.605 -2.707 -8.182) 10.858 2.697 ( -4.475 -2.615 -5.040) 7.230 2.983 ( 1.370 -10.606 -10.847) 15.232 3.499 ( -2.428 7.428 7.189) 10.618 4.199 ( 0.654 2.511 10.275) 10.597 4.305 ( 3.091 -1.563 -0.946) 3.591 4.489 ( -0.873 -4.220 3.133) 5.328 4.634 ( -2.127 -1.087 -2.173) 3.229 5.028 ( 4.484 -0.969 4.067) 6.131 5.127 ( -0.266 -0.017 -1.345) 1.371 5.393 ( -2.259 -0.021 5.041) 5.524 6.103 ( -2.918 0.935 -1.984) 3.650 6.638 ( 0.406 -13.402 -0.377) 13.413 6.800 ( -2.414 -10.946 -0.420) 11.217 7.267 ( 0.410 2.662 2.589) 3.736 7.393 ( -2.394 9.230 -1.838) 9.711 7.766 ( -6.560 9.891 4.112) 12.561 7.889 ( 5.317 9.629 -1.294) 11.075 8.280 ( 1.402 3.423 -4.329) 5.694 8.380 ( 4.667 0.817 -3.268) 5.756 9.928 ( 1.796 -4.438 2.570) 5.433 10.006 ( 6.150 -3.168 -1.017) 6.992 10.185 ( 2.112 4.074 -0.388) 4.605 10.529 ( -4.981 0.875 0.744) 5.112 10.628 ( -3.873 -7.619 5.150) 9.978 10.885 ( -1.993 3.223 4.572) 5.938 11.072 ( 1.101 -2.209 -4.772) 5.372 11.276 ( 0.050 4.012 -6.160) 7.352 12.401 ( 0.358 -0.950 -2.291) 2.506 14.337 ( -1.143 -1.366 0.020) 1.781 14.845 ( -0.490 1.097 5.414) 5.545 ======================= Grid point 437 (223/275) ======================= q-point: ( 0.22 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 0.256 -0.000 -0.985) 1.018 2.317 ( 1.736 -0.000 17.518) 17.604 2.749 ( -0.296 0.000 7.902) 7.907 2.780 ( 8.023 -0.000 5.325) 9.629 2.930 ( -0.488 0.000 -2.309) 2.360 3.478 ( -19.189 0.000 1.402) 19.240 3.894 ( 8.762 -0.000 0.479) 8.775 4.099 ( -17.450 0.000 -1.371) 17.503 4.442 ( 0.872 -0.000 -6.367) 6.427 4.574 ( -7.171 0.000 0.972) 7.237 4.877 ( 6.056 -0.000 2.606) 6.593 5.031 ( -5.777 0.000 10.806) 12.253 5.106 ( 9.975 -0.000 -6.118) 11.701 6.078 ( -6.858 0.000 3.001) 7.486 6.751 ( -10.782 0.000 -1.394) 10.872 6.834 ( 10.535 -0.000 1.426) 10.631 6.996 ( -7.965 0.000 0.534) 7.983 7.406 ( 6.251 -0.000 0.741) 6.295 7.800 ( 6.697 -0.000 7.463) 10.027 8.406 ( 9.594 -0.000 3.852) 10.338 8.667 ( -0.372 0.000 -2.242) 2.273 8.872 ( 5.122 -0.000 -6.941) 8.626 9.598 ( -9.533 0.000 -2.214) 9.787 9.895 ( -1.784 0.000 -6.146) 6.400 10.457 ( -2.891 0.000 0.832) 3.009 10.496 ( 4.277 -0.000 6.068) 7.424 10.870 ( -3.492 0.000 -8.068) 8.791 10.872 ( 3.902 -0.000 9.152) 9.949 11.296 ( 21.467 -0.000 2.232) 21.583 11.482 ( -2.783 0.000 -3.789) 4.701 11.877 ( -11.067 0.000 -9.542) 14.613 14.454 ( 4.791 -0.000 5.542) 7.326 14.665 ( -6.056 0.000 4.385) 7.477 ======================= Grid point 438 (224/275) ======================= q-point: (-0.67 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 2.411 1.183 3.267) 4.229 2.393 ( 2.262 -0.268 13.357) 13.550 2.763 ( -4.007 -5.013 6.192) 8.918 2.835 ( 0.834 7.587 -5.726) 9.541 3.019 ( 9.564 -1.135 16.179) 18.829 3.204 ( -14.044 -2.905 -2.411) 14.543 3.788 ( -18.457 -1.135 -4.393) 19.007 3.986 ( 2.266 -0.688 -1.471) 2.787 4.448 ( 0.025 -2.690 -5.644) 6.252 4.489 ( -3.958 -0.086 2.634) 4.755 4.881 ( -5.865 -0.499 7.644) 9.648 5.068 ( 7.759 3.426 5.937) 10.353 5.277 ( 12.317 0.653 -5.349) 13.444 6.001 ( -3.937 -1.728 -0.737) 4.362 6.588 ( -11.849 -4.375 -0.459) 12.640 6.870 ( -8.333 -1.712 -0.184) 8.509 6.990 ( 10.954 4.875 3.301) 12.436 7.486 ( 3.415 0.239 1.173) 3.619 7.940 ( 3.135 -6.006 8.925) 11.206 8.493 ( 5.094 9.590 3.197) 11.320 8.688 ( 0.610 -3.913 0.474) 3.988 8.870 ( -1.584 -0.175 -6.311) 6.509 9.472 ( -1.806 4.430 -1.276) 4.952 9.852 ( -1.910 -0.217 -7.079) 7.335 10.393 ( -4.431 -0.363 3.730) 5.803 10.601 ( 2.882 -3.406 5.245) 6.886 10.772 ( -5.500 -0.108 -8.404) 10.044 10.944 ( 1.998 0.810 7.871) 8.161 11.335 ( -13.080 -0.682 -3.586) 13.580 11.660 ( 21.444 -0.043 -0.357) 21.447 11.731 ( -2.302 1.316 -12.089) 12.376 14.502 ( 0.778 5.462 5.241) 7.610 14.627 ( -1.536 -5.243 5.255) 7.581 ======================= Grid point 439 (225/275) ======================= q-point: (-0.56 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 0.570 3.465 4.561) 5.756 2.456 ( 1.172 -0.695 6.433) 6.575 2.673 ( -5.812 7.280 -3.737) 10.037 2.777 ( -3.030 -3.710 2.345) 5.333 2.964 ( -14.946 0.204 6.064) 16.130 3.335 ( 13.648 -5.069 11.104) 18.310 3.594 ( -6.314 -6.411 -3.693) 9.726 4.010 ( 0.417 -1.966 -0.936) 2.217 4.445 ( -5.635 -5.152 6.046) 9.739 4.480 ( 2.713 -0.759 -8.650) 9.097 4.810 ( -5.044 -0.261 6.675) 8.371 5.168 ( 8.979 6.669 4.672) 12.121 5.415 ( 7.213 2.351 -2.680) 8.046 5.997 ( 0.824 -3.665 -3.503) 5.136 6.458 ( -13.194 -8.848 0.486) 15.893 6.763 ( -7.854 -2.881 -1.522) 8.503 7.098 ( 9.392 7.416 3.540) 12.479 7.527 ( 2.383 0.741 1.086) 2.721 8.048 ( -3.845 -9.353 9.184) 13.661 8.440 ( 2.697 12.081 2.627) 12.654 8.638 ( -5.005 3.874 -1.989) 6.634 8.899 ( 3.264 -1.684 -0.141) 3.675 9.447 ( 4.938 4.468 -0.567) 6.683 9.795 ( -1.744 1.405 -6.473) 6.849 10.354 ( -5.049 -4.250 4.151) 7.797 10.627 ( -5.675 -0.673 -3.978) 6.963 10.698 ( -1.694 -3.122 0.206) 3.558 10.927 ( -5.319 1.731 3.930) 6.836 11.156 ( -6.575 -1.385 -2.163) 7.059 11.653 ( -0.560 2.757 -12.688) 12.996 11.981 ( 16.883 -0.483 -0.740) 16.906 14.438 ( -2.214 4.176 4.008) 6.198 14.708 ( 1.931 -3.810 6.206) 7.534 ======================= Grid point 440 (226/275) ======================= q-point: (-0.44 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -3.682 5.359 4.857) 8.115 2.472 ( -0.624 9.501 4.092) 10.364 2.499 ( -5.646 -4.021 -6.859) 9.752 2.718 ( -10.548 0.616 3.719) 11.201 2.791 ( -5.815 -6.279 -0.673) 8.585 3.552 ( 1.031 -8.877 3.745) 9.690 3.756 ( 16.261 -2.581 8.636) 18.592 4.063 ( 1.452 -4.828 3.568) 6.177 4.420 ( -5.578 -3.890 4.949) 8.411 4.510 ( 1.086 -2.876 -8.285) 8.837 4.783 ( -0.751 -1.947 3.463) 4.043 5.231 ( 7.727 9.130 3.920) 12.587 5.450 ( 2.008 2.779 -0.579) 3.477 6.072 ( 3.093 -4.617 -2.670) 6.166 6.351 ( -14.196 -11.896 1.253) 18.564 6.665 ( -6.797 -2.240 -4.116) 8.255 7.158 ( 5.857 5.359 2.721) 8.392 7.571 ( 4.373 0.984 0.421) 4.502 8.048 ( -9.068 -5.387 6.873) 12.589 8.330 ( -3.174 6.163 1.340) 7.061 8.539 ( 2.527 10.779 -1.450) 11.166 8.908 ( 0.447 8.093 2.703) 8.544 9.538 ( 9.524 0.412 0.823) 9.568 9.755 ( -0.497 -1.035 -4.103) 4.260 10.325 ( -6.102 -4.595 2.685) 8.097 10.514 ( -6.133 -1.095 -6.603) 9.078 10.673 ( -6.426 -2.650 2.402) 7.354 10.838 ( -3.469 -1.653 0.280) 3.853 11.120 ( -0.499 0.485 1.400) 1.563 11.572 ( -1.175 3.694 -12.015) 12.624 12.206 ( 10.396 -0.752 -1.089) 10.480 14.380 ( -1.398 2.879 3.025) 4.404 14.786 ( 1.365 -2.460 6.188) 6.798 ======================= Grid point 441 (227/275) ======================= q-point: (-0.33 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -2.475 4.681 8.201) 9.762 2.323 ( -1.837 9.698 3.377) 10.432 2.464 ( -8.524 -8.727 -4.161) 12.890 2.659 ( 1.093 -2.819 -2.493) 3.919 2.754 ( -5.154 -4.080 -5.081) 8.308 3.640 ( 0.075 -2.881 5.473) 6.185 4.060 ( 13.903 -2.259 5.970) 15.298 4.162 ( 0.800 -5.161 9.885) 11.179 4.379 ( -5.954 -4.418 3.844) 8.351 4.538 ( 1.216 -3.376 -7.035) 7.897 4.847 ( 2.955 -4.530 0.395) 5.423 5.242 ( 5.084 9.507 3.233) 11.255 5.439 ( 0.037 1.994 0.745) 2.128 6.153 ( 1.184 -2.543 0.915) 2.950 6.277 ( -10.298 -12.857 1.289) 16.523 6.583 ( -5.398 -4.580 -6.560) 9.651 7.196 ( 2.650 1.138 1.758) 3.378 7.652 ( 7.768 2.631 -0.937) 8.254 7.907 ( -10.570 2.471 4.046) 11.584 8.274 ( -3.181 -2.936 1.692) 4.648 8.434 ( 4.301 17.442 -3.281) 18.262 8.760 ( -2.173 16.549 3.006) 16.960 9.725 ( 9.683 -2.600 3.149) 10.509 9.785 ( 1.981 -4.516 -2.655) 5.601 10.269 ( -5.642 -2.699 1.002) 6.334 10.434 ( -4.599 -3.345 -5.597) 7.979 10.611 ( -4.799 -2.152 3.826) 6.504 10.841 ( -0.748 -4.192 -0.187) 4.262 11.104 ( -0.625 2.133 1.699) 2.797 11.473 ( -1.554 4.644 -10.598) 11.675 12.331 ( 4.509 -1.081 -1.184) 4.786 14.345 ( -0.899 1.668 2.132) 2.852 14.837 ( 0.358 -1.301 5.902) 6.055 ======================= Grid point 442 (228/275) ======================= q-point: (-0.22 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 7.046 2.034 10.603) 12.892 2.231 ( -0.733 6.348 8.097) 10.315 2.434 ( -4.104 -6.801 -4.619) 9.189 2.645 ( -5.487 -2.093 -7.441) 9.479 2.775 ( 2.471 -7.430 -6.432) 10.133 3.633 ( -2.449 3.520 7.449) 8.595 4.200 ( -3.329 -3.744 8.200) 9.609 4.283 ( 9.265 0.815 2.138) 9.543 4.374 ( -2.101 -6.197 3.252) 7.308 4.573 ( -1.183 -4.078 -2.419) 4.887 4.942 ( 0.697 -5.891 -0.521) 5.954 5.214 ( 1.506 7.303 1.476) 7.601 5.409 ( -2.360 1.413 2.967) 4.046 6.149 ( 0.330 2.799 2.457) 3.739 6.353 ( 1.045 -13.106 -0.771) 13.170 6.569 ( -4.394 -10.298 -3.953) 11.874 7.234 ( 1.090 -1.955 1.259) 2.568 7.639 ( -3.459 12.348 -0.577) 12.836 7.822 ( 2.288 -2.738 1.980) 4.081 8.181 ( -3.410 10.729 1.688) 11.384 8.390 ( 7.710 5.375 -6.854) 11.633 8.547 ( -0.576 17.822 2.401) 17.992 9.829 ( 0.235 -5.265 1.027) 5.369 9.935 ( 7.578 -3.122 -1.500) 8.332 10.231 ( -0.785 -0.496 0.081) 0.933 10.408 ( -4.723 -7.486 -2.449) 9.184 10.578 ( -3.008 -0.732 6.323) 7.041 10.896 ( 2.079 -3.092 0.241) 3.734 11.063 ( -1.234 2.342 0.313) 2.666 11.375 ( -0.701 4.901 -8.366) 9.721 12.376 ( -0.017 -1.338 -1.339) 1.893 14.323 ( -1.140 0.434 1.700) 2.092 14.858 ( -0.600 -0.220 5.549) 5.586 ======================= Grid point 443 (229/275) ======================= q-point: (-0.11 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 1.542 2.823 12.270) 12.685 2.267 ( 10.167 0.486 4.220) 11.019 2.429 ( 0.127 -0.800 -0.802) 1.139 2.577 ( -3.796 -4.409 -3.629) 6.857 2.882 ( 2.214 -8.120 -8.480) 11.948 3.548 ( -3.234 5.862 8.193) 10.580 4.173 ( -5.252 -0.387 8.208) 9.752 4.375 ( 2.411 -2.477 -3.315) 4.789 4.445 ( 0.424 -3.070 4.902) 5.800 4.569 ( -1.502 -2.793 -1.831) 3.662 4.976 ( -3.850 -5.646 -0.492) 6.852 5.124 ( -4.185 5.741 -1.412) 7.243 5.349 ( -5.208 0.614 5.965) 7.943 6.176 ( 7.291 4.151 1.727) 8.566 6.487 ( -4.293 -11.251 -0.497) 12.052 6.676 ( 5.428 -12.054 -1.064) 13.262 7.283 ( 1.112 -2.995 0.939) 3.330 7.414 ( -7.007 11.224 -0.385) 13.237 7.812 ( -2.497 9.584 6.405) 11.794 8.107 ( 7.891 8.567 -3.632) 12.201 8.390 ( 5.097 7.775 -2.998) 9.768 8.505 ( 8.933 3.230 -3.708) 10.197 9.881 ( -1.641 -5.780 -0.527) 6.031 10.015 ( -1.302 -3.974 -5.809) 7.157 10.273 ( 7.253 1.931 -1.006) 7.572 10.410 ( -4.886 -6.158 2.947) 8.396 10.579 ( 0.541 -0.547 7.919) 7.956 10.912 ( -1.210 4.168 5.196) 6.770 11.062 ( 1.830 -2.158 -4.743) 5.523 11.320 ( 2.450 2.991 -5.818) 6.985 12.354 ( -3.940 -1.399 -1.834) 4.566 14.309 ( -1.124 -0.680 1.951) 2.353 14.852 ( -1.657 0.691 5.192) 5.493 ======================= Grid point 447 (230/275) ======================= q-point: ( 0.33 -0.67 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 1.924 -0.000 4.270) 4.683 2.455 ( 0.851 -0.000 11.568) 11.599 2.632 ( -8.445 0.000 -0.267) 8.450 2.859 ( -3.596 0.000 -0.127) 3.598 3.013 ( -5.628 0.000 0.386) 5.641 3.221 ( 3.171 -0.000 12.369) 12.769 3.519 ( -3.219 0.000 -3.834) 5.006 3.991 ( 0.009 -0.000 -2.029) 2.029 4.359 ( -5.644 0.000 4.999) 7.540 4.499 ( 2.296 -0.000 -6.444) 6.841 4.805 ( -5.369 0.000 6.512) 8.440 5.246 ( 9.201 -0.000 6.411) 11.214 5.441 ( 7.896 -0.000 -3.500) 8.637 5.956 ( 0.642 -0.000 -4.109) 4.159 6.355 ( -13.699 0.000 0.825) 13.723 6.722 ( -8.091 0.000 -1.613) 8.251 7.212 ( 10.787 -0.000 5.119) 11.940 7.534 ( 1.886 -0.000 1.984) 2.738 7.918 ( -4.075 0.000 7.853) 8.847 8.601 ( -6.605 0.000 5.361) 8.507 8.686 ( 5.465 -0.000 -1.955) 5.804 8.850 ( 4.833 -0.000 -1.521) 5.066 9.521 ( 4.387 -0.000 -1.695) 4.703 9.789 ( -2.910 0.000 -7.673) 8.206 10.317 ( -5.648 0.000 4.623) 7.299 10.621 ( -0.912 0.000 4.338) 4.433 10.652 ( -6.139 0.000 -8.896) 10.809 10.945 ( -6.790 0.000 3.269) 7.536 11.141 ( -5.306 0.000 -0.701) 5.352 11.684 ( -0.681 0.000 -13.198) 13.216 11.976 ( 16.904 -0.000 -0.737) 16.920 14.506 ( -4.353 0.000 4.325) 6.137 14.645 ( 4.043 -0.000 6.387) 7.559 ======================= Grid point 449 (231/275) ======================= q-point: (-0.56 0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -3.509 2.107 0.318) 4.105 2.427 ( -6.606 1.267 2.574) 7.202 2.575 ( -2.677 -5.413 -0.580) 6.066 2.741 ( -9.233 0.868 6.130) 11.117 2.860 ( -2.646 14.009 1.248) 14.311 3.280 ( -0.905 -14.261 -1.635) 14.383 3.723 ( 17.613 -0.641 10.760) 20.650 3.999 ( 0.815 -1.455 0.372) 1.709 4.303 ( -6.191 -4.015 7.201) 10.310 4.512 ( 2.433 0.967 -8.574) 8.964 4.752 ( -2.933 -0.882 3.133) 4.381 5.387 ( 8.656 4.352 6.497) 11.666 5.497 ( 1.179 1.317 -1.016) 2.039 5.995 ( 3.483 -2.399 -5.283) 6.767 6.159 ( -13.982 -4.901 1.390) 14.881 6.604 ( -7.299 -1.970 -2.998) 8.133 7.329 ( 6.318 7.188 3.858) 10.318 7.579 ( 3.733 0.394 3.214) 4.941 7.880 ( -6.934 -7.369 6.304) 11.921 8.434 ( -10.452 2.567 1.043) 10.813 8.764 ( 9.456 7.978 -0.033) 12.372 8.981 ( 7.005 -0.323 4.280) 8.215 9.591 ( 7.304 3.288 -1.941) 8.242 9.721 ( -4.391 -2.289 -7.157) 8.703 10.251 ( -4.881 -1.540 4.605) 6.885 10.516 ( -6.237 1.444 -6.658) 9.237 10.588 ( -7.036 -4.380 -0.159) 8.290 10.815 ( -6.589 -0.558 -0.859) 6.668 11.133 ( 0.956 0.463 3.935) 4.076 11.628 ( -0.923 1.403 -12.987) 13.095 12.194 ( 10.228 -0.289 -0.814) 10.265 14.449 ( -2.138 2.600 4.130) 5.329 14.727 ( 2.062 -2.299 6.240) 6.962 ======================= Grid point 450 (232/275) ======================= q-point: (-0.44 0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -3.723 3.618 1.756) 5.481 2.287 ( -8.856 -4.896 -5.721) 11.625 2.568 ( -1.138 3.015 -1.607) 3.601 2.645 ( -1.049 4.516 4.176) 6.239 2.720 ( -1.931 5.107 1.417) 5.641 3.444 ( 0.677 -13.945 1.974) 14.101 4.027 ( 10.615 -0.977 6.101) 12.283 4.067 ( 6.553 -3.656 9.275) 11.930 4.271 ( -6.457 -4.823 7.101) 10.741 4.511 ( 1.458 0.728 -8.727) 8.878 4.759 ( 0.688 -3.351 -1.452) 3.717 5.442 ( 2.564 6.982 5.082) 9.008 5.488 ( 2.515 3.348 0.646) 4.237 6.027 ( -10.849 -8.858 0.786) 14.028 6.079 ( 3.127 -4.636 -1.482) 5.785 6.503 ( -7.186 -2.476 -4.666) 8.919 7.312 ( 2.209 7.941 1.945) 8.468 7.653 ( 4.280 -0.156 2.875) 5.158 7.896 ( -2.483 -5.455 4.894) 7.738 8.256 ( -7.963 1.588 -0.463) 8.133 8.792 ( 8.244 14.861 -0.120) 16.995 9.038 ( 2.620 8.106 5.330) 10.049 9.659 ( -2.588 -5.347 -2.407) 6.410 9.713 ( 8.058 -0.090 -4.205) 9.090 10.204 ( -4.814 -1.742 3.266) 6.073 10.400 ( -4.845 -0.523 -6.386) 8.033 10.530 ( -5.560 -5.010 0.709) 7.518 10.757 ( -2.854 -3.110 -1.127) 4.369 11.147 ( 0.497 1.628 4.331) 4.653 11.555 ( -1.052 2.804 -11.985) 12.354 12.312 ( 4.195 -0.646 -0.521) 4.276 14.403 ( -1.062 3.228 3.623) 4.967 14.790 ( 0.468 -2.641 6.050) 6.618 ======================= Grid point 451 (233/275) ======================= q-point: (-0.33 0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 4.535 2.071 6.450) 8.152 2.264 ( -0.449 -6.931 -10.229) 12.364 2.455 ( -0.682 12.156 3.628) 12.704 2.610 ( -3.567 -0.370 -3.252) 4.841 2.690 ( 1.378 -0.711 0.216) 1.566 3.575 ( -2.005 -9.493 5.496) 11.150 4.124 ( 0.753 -3.813 6.822) 7.851 4.225 ( -5.149 -4.633 2.134) 7.247 4.305 ( 9.842 -0.514 10.011) 14.048 4.501 ( -0.607 -1.528 -6.164) 6.379 4.813 ( -0.199 -5.688 -4.320) 7.145 5.389 ( -1.243 6.283 4.953) 8.097 5.467 ( 0.161 6.015 0.078) 6.017 6.048 ( 0.745 -11.796 1.143) 11.875 6.191 ( 4.354 -4.281 2.778) 6.708 6.399 ( -7.401 -3.417 -6.096) 10.179 7.269 ( 1.110 5.210 0.769) 5.382 7.738 ( 1.611 -3.753 1.908) 4.508 7.875 ( 0.557 8.264 0.594) 8.304 8.188 ( -1.926 -4.398 1.861) 5.150 8.705 ( 4.715 18.504 -3.771) 19.464 8.931 ( -0.347 15.741 4.748) 16.445 9.683 ( -2.953 -8.546 -1.192) 9.120 9.868 ( 7.902 -3.154 -4.034) 9.416 10.170 ( -2.362 -2.763 3.358) 4.949 10.328 ( -3.477 -1.150 -5.213) 6.371 10.523 ( -2.588 -4.339 3.768) 6.303 10.793 ( 2.325 -5.357 -1.769) 6.102 11.131 ( -0.889 3.075 4.239) 5.311 11.473 ( -0.700 3.991 -10.346) 11.111 12.349 ( -0.478 -1.085 -0.312) 1.226 14.361 ( -1.160 2.971 3.248) 4.552 14.831 ( -0.644 -2.215 5.788) 6.231 ======================= Grid point 452 (234/275) ======================= q-point: (-0.22 0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 10.898 1.082 4.456) 11.823 2.309 ( 1.624 2.713 -4.498) 5.498 2.377 ( 4.120 1.040 5.062) 6.609 2.531 ( -3.911 -0.198 -2.493) 4.642 2.753 ( 3.568 -3.381 -3.661) 6.129 3.602 ( -4.688 -2.801 7.755) 9.485 4.149 ( -2.630 -0.171 7.182) 7.650 4.226 ( -3.823 -9.242 -0.272) 10.005 4.442 ( 0.529 -0.418 5.337) 5.379 4.498 ( 2.262 -2.156 -4.283) 5.302 4.841 ( -2.413 -6.383 -3.349) 7.602 5.282 ( -3.777 8.142 1.941) 9.183 5.386 ( -3.837 3.260 2.661) 5.694 6.256 ( 3.249 -9.339 3.304) 10.426 6.286 ( 4.836 4.190 -0.896) 6.461 6.391 ( 3.673 -14.046 -2.490) 14.730 7.244 ( 0.135 1.339 -0.193) 1.359 7.645 ( -7.005 8.823 -1.336) 11.345 7.904 ( 5.318 0.863 4.307) 6.898 8.238 ( 3.845 1.346 0.734) 4.139 8.582 ( 4.106 12.258 -6.470) 14.456 8.762 ( 1.747 17.397 2.613) 17.679 9.721 ( -4.033 -8.940 -0.694) 9.832 9.940 ( -2.727 -3.632 -7.353) 8.642 10.232 ( 2.201 -6.056 4.009) 7.589 10.316 ( 4.150 0.135 -1.414) 4.386 10.557 ( 0.686 -2.632 5.665) 6.284 10.915 ( 5.369 -4.418 -1.442) 7.101 11.076 ( -2.275 3.938 3.291) 5.614 11.400 ( 0.485 4.070 -8.134) 9.109 12.322 ( -4.458 -1.538 -0.581) 4.752 14.322 ( -1.297 2.000 3.295) 4.067 14.847 ( -1.588 -1.279 5.431) 5.801 ======================= Grid point 453 (235/275) ======================= q-point: (-0.11 0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( -0.176 6.158 6.020) 8.613 2.303 ( -0.257 1.345 -5.068) 5.250 2.480 ( 0.295 -4.925 -0.922) 5.019 2.632 ( 13.521 1.105 9.377) 16.491 2.855 ( 5.857 -3.806 -4.613) 8.371 3.559 ( -2.488 0.960 8.029) 8.461 4.093 ( -7.343 0.658 4.192) 8.480 4.256 ( -5.053 -8.546 -0.739) 9.955 4.382 ( -6.546 -3.498 0.149) 7.424 4.603 ( 6.907 -1.101 -0.401) 7.006 4.871 ( -0.390 -4.577 -1.527) 4.840 5.112 ( -5.853 8.298 -2.093) 10.368 5.281 ( -7.044 2.683 6.250) 9.792 6.281 ( -5.151 -9.432 -2.627) 11.064 6.379 ( 8.308 5.718 5.063) 11.285 6.694 ( 11.436 -11.623 -1.759) 16.400 7.241 ( -1.974 -2.641 -1.831) 3.771 7.431 ( -4.810 9.595 0.571) 10.748 7.916 ( 0.556 8.789 7.305) 11.442 8.284 ( 5.990 5.711 -2.344) 8.602 8.550 ( 5.584 5.375 -4.178) 8.805 8.694 ( 7.163 7.651 -1.651) 10.610 9.728 ( -7.205 -8.456 -3.047) 11.520 9.870 ( -6.661 -5.081 -5.743) 10.157 10.336 ( 2.138 -4.434 5.000) 7.017 10.454 ( 11.641 1.147 -2.018) 11.870 10.638 ( 5.647 -0.776 6.234) 8.448 10.957 ( -1.888 5.226 7.260) 9.142 11.052 ( 1.478 -2.074 -5.763) 6.300 11.380 ( 3.719 1.480 -5.661) 6.933 12.231 ( -8.761 -1.791 -1.689) 9.100 14.303 ( -0.347 0.472 3.784) 3.829 14.834 ( -2.652 -0.027 5.021) 5.679 ======================= Grid point 458 (236/275) ======================= q-point: ( 0.44 -0.56 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -2.352 0.000 -8.989) 9.292 2.257 ( -13.229 0.000 3.009) 13.567 2.537 ( 1.183 -0.000 -0.535) 1.299 2.688 ( -1.366 0.000 6.464) 6.607 2.957 ( -1.217 0.000 4.876) 5.026 3.173 ( 1.738 -0.000 -4.796) 5.101 4.003 ( -0.317 0.000 3.587) 3.601 4.033 ( 16.038 -0.000 12.838) 20.544 4.214 ( -4.331 0.000 7.262) 8.455 4.530 ( 2.073 -0.000 -9.324) 9.551 4.717 ( -1.048 0.000 -1.466) 1.802 5.491 ( -1.982 0.000 0.489) 2.042 5.565 ( 7.848 -0.000 7.315) 10.728 5.936 ( -10.305 0.000 1.304) 10.387 6.004 ( 0.942 -0.000 -5.013) 5.101 6.479 ( -5.731 0.000 -3.666) 6.803 7.423 ( 0.453 -0.000 0.871) 0.982 7.719 ( 9.757 -0.000 6.980) 11.997 7.737 ( -5.564 0.000 4.711) 7.290 8.284 ( -9.081 0.000 -1.872) 9.272 8.985 ( 10.886 -0.000 1.989) 11.066 9.112 ( 6.514 -0.000 6.540) 9.231 9.572 ( -8.725 0.000 -7.028) 11.204 9.729 ( 7.704 -0.000 -3.982) 8.672 10.195 ( -2.711 0.000 4.209) 5.006 10.411 ( -8.546 0.000 0.316) 8.552 10.444 ( -3.041 0.000 -7.418) 8.017 10.722 ( -4.120 0.000 -1.178) 4.285 11.166 ( 0.801 -0.000 5.052) 5.115 11.586 ( -0.875 0.000 -12.410) 12.441 12.305 ( 4.079 -0.000 -0.270) 4.088 14.447 ( -1.276 0.000 4.327) 4.512 14.753 ( 0.666 -0.000 5.956) 5.993 ======================= Grid point 460 (237/275) ======================= q-point: (-0.44 0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 2.689 0.855 -2.205) 3.581 2.152 ( 0.693 -2.704 -7.202) 7.724 2.551 ( -0.318 -0.441 -1.023) 1.158 2.691 ( 0.416 1.327 4.740) 4.940 2.836 ( -1.028 15.416 2.775) 15.697 3.286 ( -1.033 -15.025 0.279) 15.063 4.007 ( -3.421 -4.328 6.449) 8.487 4.192 ( -1.320 -0.177 5.826) 5.977 4.289 ( 10.747 -0.627 11.482) 15.739 4.521 ( 0.935 2.310 -8.694) 9.044 4.706 ( -1.935 -3.830 -6.015) 7.389 5.450 ( -2.489 1.196 2.304) 3.596 5.654 ( 3.632 7.647 4.964) 9.814 5.856 ( -0.097 -4.629 -0.201) 4.634 6.031 ( -0.926 -7.584 -1.156) 7.727 6.396 ( -2.806 0.782 -3.428) 4.499 7.397 ( -0.002 4.482 0.295) 4.492 7.694 ( 0.669 0.105 3.567) 3.631 7.931 ( 9.423 -2.565 6.484) 11.722 8.136 ( -7.503 0.369 -3.565) 8.315 9.074 ( 6.791 13.898 0.675) 15.483 9.167 ( 1.004 6.166 5.996) 8.659 9.469 ( -6.562 -10.634 -4.175) 13.174 9.819 ( 4.474 -1.075 -7.286) 8.617 10.167 ( -1.087 1.846 3.888) 4.440 10.308 ( -4.123 -1.157 -0.048) 4.282 10.420 ( -1.003 -3.722 -3.289) 5.067 10.701 ( 1.222 -2.560 -1.297) 3.119 11.178 ( -0.337 1.159 5.338) 5.473 11.535 ( -0.537 1.525 -11.308) 11.423 12.332 ( -0.812 -0.410 0.352) 0.975 14.427 ( -1.158 2.306 4.319) 5.031 14.780 ( -0.652 -1.875 5.762) 6.094 ======================= Grid point 461 (238/275) ======================= q-point: (-0.33 0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 6.953 -2.475 -9.294) 11.868 2.260 ( 13.286 -0.930 1.380) 13.390 2.524 ( -0.923 1.853 -0.005) 2.070 2.633 ( -2.300 12.780 3.642) 13.486 2.734 ( 3.170 2.197 0.632) 3.908 3.411 ( -3.697 -13.605 4.210) 14.713 4.025 ( -4.722 -8.360 4.415) 10.568 4.183 ( -0.958 1.859 5.958) 6.314 4.402 ( -4.409 -0.750 1.461) 4.705 4.509 ( 6.383 1.418 -2.544) 7.017 4.710 ( -1.206 -5.740 -5.430) 7.992 5.396 ( -3.331 2.636 4.512) 6.196 5.540 ( -3.724 10.013 0.279) 10.686 6.050 ( 9.885 -8.350 0.403) 12.946 6.104 ( -1.673 -11.835 -1.006) 11.995 6.375 ( 4.516 2.888 -0.378) 5.373 7.340 ( -0.089 6.051 -0.018) 6.052 7.738 ( 1.385 0.872 0.294) 1.663 7.959 ( -1.925 3.744 -0.035) 4.211 8.178 ( 7.884 -4.701 3.745) 9.914 8.913 ( -2.663 15.974 -3.737) 16.620 9.093 ( 0.329 11.983 3.411) 12.464 9.515 ( -3.539 -9.792 0.542) 10.426 9.838 ( -4.055 -5.492 -10.609) 12.616 10.167 ( 2.111 0.475 4.492) 4.986 10.317 ( 4.872 -0.445 0.288) 4.901 10.468 ( 1.330 -4.957 1.167) 5.263 10.807 ( 6.618 -4.503 -1.572) 8.157 11.155 ( -1.862 2.779 5.660) 6.574 11.477 ( -0.012 2.787 -9.940) 10.323 12.293 ( -5.043 -1.007 0.529) 5.170 14.387 ( -1.239 3.480 4.386) 5.735 14.801 ( -1.647 -2.635 5.526) 6.340 ======================= Grid point 462 (239/275) ======================= q-point: (-0.22 0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 4.055 1.517 -6.683) 7.963 2.400 ( 2.490 1.079 -1.520) 3.110 2.476 ( -0.927 10.401 3.793) 11.110 2.626 ( 12.245 -1.625 6.647) 14.027 2.809 ( 8.285 -0.375 -1.499) 8.428 3.483 ( -3.457 -8.529 6.989) 11.556 4.046 ( -5.040 -8.338 -1.795) 9.907 4.142 ( -3.790 2.197 4.581) 6.338 4.289 ( -8.844 -4.143 -2.090) 9.987 4.589 ( 3.542 -0.804 -1.091) 3.793 4.779 ( 3.832 -3.577 -0.002) 5.241 5.282 ( -6.478 6.355 3.033) 9.568 5.379 ( -4.770 6.813 0.724) 8.348 6.098 ( -4.717 -7.961 -2.347) 9.547 6.392 ( 10.748 -10.221 -0.288) 14.834 6.497 ( 12.946 -0.177 2.401) 13.168 7.258 ( -2.670 4.959 -1.492) 5.827 7.626 ( -5.739 7.867 -3.134) 10.230 8.005 ( 5.432 -0.174 5.976) 8.078 8.352 ( 8.214 0.075 2.686) 8.642 8.704 ( -2.828 10.016 -6.221) 12.125 8.955 ( 0.262 13.548 0.505) 13.560 9.535 ( -5.914 -8.064 0.020) 10.000 9.765 ( -7.997 -5.586 -7.564) 12.344 10.253 ( 5.187 -2.325 4.660) 7.350 10.459 ( 10.164 -0.537 -2.518) 10.485 10.582 ( 6.579 -4.354 5.254) 9.479 10.961 ( 6.443 -3.824 -3.189) 8.143 11.089 ( -3.263 4.631 5.970) 8.230 11.430 ( 1.258 2.724 -7.884) 8.436 12.192 ( -9.409 -1.690 -0.179) 9.562 14.346 ( -0.538 3.327 4.673) 5.762 14.809 ( -2.526 -2.278 5.125) 6.151 ======================= Grid point 463 (240/275) ======================= q-point: (-0.11 0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -2.798 4.272 -4.548) 6.839 2.371 ( 0.571 5.770 4.872) 7.573 2.494 ( 4.707 -0.316 2.165) 5.190 2.788 ( 5.923 -0.529 3.116) 6.714 2.990 ( 8.726 0.630 3.704) 9.500 3.552 ( 1.997 -3.993 6.945) 8.256 3.938 ( -11.131 0.155 -8.327) 13.901 4.103 ( -4.180 -5.759 3.028) 7.734 4.253 ( -1.765 -4.654 0.067) 4.978 4.659 ( 2.109 -4.365 1.829) 5.181 4.881 ( 4.903 -0.814 1.605) 5.223 5.094 ( -6.587 7.534 -2.105) 10.226 5.223 ( -7.070 5.584 3.129) 9.537 6.123 ( -1.729 -7.172 -2.208) 7.701 6.573 ( 8.303 2.200 3.085) 9.127 6.758 ( 8.683 -6.257 -1.194) 10.769 7.168 ( -3.202 -1.443 -3.388) 4.880 7.456 ( -3.610 6.995 0.334) 7.878 8.048 ( 1.881 8.315 6.527) 10.737 8.426 ( 4.043 6.037 1.915) 7.514 8.614 ( 0.101 -1.000 -6.323) 6.403 8.863 ( 3.252 7.432 -0.717) 8.144 9.498 ( -8.126 -6.722 -3.577) 11.136 9.703 ( -4.618 -5.736 -1.946) 7.616 10.385 ( 5.704 -2.623 4.433) 7.685 10.584 ( 5.128 -0.913 -0.663) 5.251 10.809 ( 12.958 -2.050 1.027) 13.160 10.990 ( -3.819 5.734 7.597) 10.255 11.062 ( 5.990 -0.698 -4.866) 7.750 11.436 ( 3.841 0.279 -5.603) 6.799 12.023 ( -13.693 -2.134 -2.079) 14.013 14.332 ( 0.849 1.921 5.016) 5.438 14.794 ( -3.160 -1.053 4.715) 5.773 ======================= Grid point 469 (241/275) ======================= q-point: (-0.44 0.56 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 9.255 -0.000 -13.103) 16.042 2.257 ( 13.102 -0.000 3.101) 13.464 2.541 ( -0.879 0.000 -0.003) 0.880 2.717 ( 0.353 -0.000 4.570) 4.583 2.943 ( -1.599 0.000 5.697) 5.917 3.143 ( -1.580 0.000 -3.267) 3.629 3.924 ( -5.171 0.000 7.307) 8.952 4.200 ( -0.518 0.000 5.178) 5.204 4.407 ( -1.861 0.000 3.665) 4.110 4.542 ( 1.562 -0.000 -6.824) 7.001 4.623 ( 1.352 -0.000 -4.459) 4.659 5.425 ( -2.592 0.000 3.606) 4.441 5.701 ( -5.207 0.000 2.138) 5.629 5.932 ( -3.101 0.000 -1.376) 3.393 5.950 ( 12.909 -0.000 -0.098) 12.910 6.406 ( 3.842 -0.000 -1.061) 3.985 7.420 ( -0.150 0.000 -0.118) 0.191 7.750 ( 5.415 -0.000 3.836) 6.636 7.994 ( -8.257 0.000 -6.077) 10.252 8.119 ( 11.666 -0.000 6.933) 13.571 9.141 ( -12.808 0.000 -1.444) 12.889 9.262 ( 0.958 -0.000 3.504) 3.633 9.331 ( 6.342 -0.000 0.174) 6.345 9.764 ( -6.816 0.000 -11.674) 13.518 10.207 ( 2.176 -0.000 4.212) 4.741 10.289 ( 3.516 -0.000 5.920) 6.885 10.404 ( 2.649 -0.000 -5.923) 6.489 10.754 ( 7.048 -0.000 -0.686) 7.081 11.185 ( -1.533 0.000 6.002) 6.195 11.509 ( -0.052 0.000 -10.553) 10.553 12.282 ( -5.324 0.000 0.989) 5.415 14.434 ( -1.098 0.000 4.888) 5.009 14.764 ( -1.765 0.000 5.448) 5.727 ======================= Grid point 471 (242/275) ======================= q-point: (-0.33 -0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 11.178 0.040 -9.610) 14.741 2.461 ( 4.591 4.620 1.785) 6.754 2.564 ( 7.299 -4.025 3.598) 9.079 2.703 ( -1.692 5.799 3.418) 6.941 2.867 ( 4.174 7.424 2.367) 8.840 3.238 ( 1.940 -12.138 0.269) 12.295 3.890 ( -4.322 -4.575 4.904) 7.978 4.194 ( -1.674 0.785 4.128) 4.524 4.245 ( -12.056 0.349 -8.278) 14.628 4.557 ( 0.690 -1.492 -2.609) 3.084 4.730 ( 7.832 -1.025 2.615) 8.321 5.369 ( -5.158 2.010 4.705) 7.266 5.546 ( -7.337 6.707 -1.001) 9.990 5.931 ( -2.254 -6.557 -1.446) 7.083 6.200 ( 13.828 -5.043 -1.033) 14.755 6.510 ( 9.349 0.358 0.827) 9.392 7.383 ( -2.072 4.308 -0.111) 4.782 7.778 ( -3.928 6.946 -4.956) 9.393 7.937 ( 4.766 -5.709 2.038) 7.711 8.327 ( 10.363 -1.053 6.832) 12.457 8.888 ( -12.007 4.659 -3.415) 13.325 9.209 ( -0.938 9.181 -1.834) 9.409 9.432 ( 0.106 -1.320 3.945) 4.161 9.614 ( -9.583 -7.457 -9.338) 15.318 10.254 ( 4.234 1.846 4.644) 6.550 10.442 ( 9.722 -0.794 -1.311) 9.842 10.475 ( 6.715 -4.267 1.935) 8.187 10.894 ( 8.593 -1.784 -2.191) 9.046 11.161 ( -2.474 1.764 6.871) 7.513 11.477 ( 0.454 1.304 -9.500) 9.600 12.165 ( -10.022 -0.732 0.893) 10.088 14.421 ( -0.209 2.725 5.341) 6.000 14.753 ( -2.823 -2.152 4.992) 6.125 ======================= Grid point 472 (243/275) ======================= q-point: (-0.22 -0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( -2.699 4.951 -2.516) 6.175 2.490 ( 2.667 3.990 2.446) 5.387 2.579 ( 1.978 6.890 1.520) 7.328 2.755 ( 7.376 -2.026 1.843) 7.868 2.972 ( 7.028 -2.165 3.617) 8.195 3.434 ( 8.712 -6.065 3.768) 11.264 3.891 ( -4.680 -4.567 -1.984) 6.833 4.011 ( -9.306 -1.440 -9.567) 13.424 4.199 ( -0.603 -1.050 3.922) 4.105 4.574 ( -1.004 -2.855 1.637) 3.440 4.869 ( 7.034 -0.310 3.872) 8.035 5.230 ( -8.296 4.652 2.664) 9.877 5.355 ( -7.307 5.905 -1.891) 9.583 5.982 ( 1.339 -5.658 -2.486) 6.324 6.471 ( 10.806 -7.653 -0.424) 13.248 6.696 ( 11.979 -1.276 1.164) 12.103 7.243 ( -6.946 7.041 -2.480) 10.197 7.605 ( -5.434 6.281 -3.915) 9.182 8.112 ( 7.308 -2.668 5.106) 9.306 8.486 ( 5.337 0.078 6.796) 8.642 8.658 ( -8.893 3.992 -5.705) 11.294 9.046 ( -3.642 9.309 -5.851) 11.583 9.391 ( -5.374 -2.497 0.312) 5.934 9.595 ( -2.293 -5.282 -0.101) 5.759 10.336 ( 4.657 -1.275 4.101) 6.335 10.554 ( 6.052 -1.363 -2.738) 6.781 10.721 ( 11.170 -5.106 2.983) 12.639 11.042 ( 9.810 -0.870 -4.365) 10.772 11.107 ( -2.331 4.283 7.188) 8.686 11.455 ( 1.839 1.195 -7.306) 7.628 11.980 ( -14.446 -1.682 -0.356) 14.548 14.404 ( 1.005 4.246 5.561) 7.068 14.745 ( -3.345 -3.219 4.444) 6.426 ======================= Grid point 473 (244/275) ======================= q-point: (-0.11 -0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( -4.549 3.525 -2.378) 6.227 2.413 ( -3.672 3.350 5.433) 7.363 2.603 ( 3.963 4.734 1.769) 6.423 2.927 ( 11.433 -0.229 4.123) 12.156 3.069 ( 0.835 -1.115 5.415) 5.591 3.532 ( -7.172 0.311 1.236) 7.284 3.789 ( -1.383 -0.787 -9.300) 9.435 4.041 ( 5.200 -4.969 0.114) 7.194 4.229 ( 1.774 -1.629 1.248) 2.713 4.612 ( -0.928 -6.275 5.317) 8.276 4.968 ( 2.222 1.487 7.128) 7.613 5.049 ( -6.688 5.299 -1.273) 8.627 5.184 ( -4.032 4.133 -4.717) 7.455 6.079 ( 4.645 -3.651 -2.395) 6.375 6.696 ( 8.123 -5.132 0.961) 9.657 6.835 ( 1.628 5.376 -0.661) 5.656 7.097 ( -1.184 -2.925 -4.104) 5.177 7.456 ( -4.493 4.775 0.223) 6.560 8.180 ( 0.810 8.441 5.479) 10.096 8.482 ( -6.689 -6.672 -4.081) 10.291 8.549 ( 0.019 5.106 3.006) 5.925 8.923 ( -2.035 1.666 -4.423) 5.146 9.348 ( -2.986 -1.783 -0.072) 3.478 9.624 ( 0.825 -2.335 1.889) 3.115 10.440 ( 2.949 -3.813 3.443) 5.924 10.653 ( 5.052 -0.376 0.276) 5.073 10.848 ( -1.266 -3.827 -3.982) 5.666 11.020 ( -3.842 6.096 7.029) 10.067 11.279 ( 19.044 -0.056 -3.417) 19.348 11.484 ( 4.733 -0.051 -4.450) 6.497 11.744 ( -16.265 -2.504 -2.938) 16.717 14.393 ( 0.968 3.624 5.131) 6.356 14.740 ( -2.419 -2.544 4.323) 5.569 ======================= Grid point 480 (245/275) ======================= q-point: (-0.33 -0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( -1.485 0.000 -4.734) 4.961 2.579 ( -5.285 0.000 10.500) 11.756 2.591 ( 11.926 -0.000 -0.587) 11.941 2.781 ( 5.788 -0.000 -3.003) 6.521 2.920 ( -0.902 0.000 5.882) 5.951 3.356 ( 18.127 -0.000 -1.535) 18.192 3.825 ( -2.332 0.000 4.694) 5.242 4.008 ( -11.767 0.000 -15.686) 19.609 4.186 ( -0.949 0.000 3.855) 3.970 4.546 ( -1.115 0.000 2.167) 2.437 4.865 ( 7.558 -0.000 4.503) 8.798 5.282 ( -8.570 0.000 4.022) 9.467 5.431 ( -9.661 0.000 -3.196) 10.176 5.910 ( 4.013 -0.000 -2.036) 4.500 6.378 ( 11.812 -0.000 -0.884) 11.845 6.681 ( 11.285 -0.000 0.071) 11.285 7.340 ( -6.712 0.000 -0.704) 6.749 7.694 ( -6.897 0.000 -6.906) 9.761 8.041 ( 8.151 -0.000 2.878) 8.644 8.485 ( 6.347 -0.000 8.897) 10.929 8.699 ( -11.198 0.000 -2.457) 11.464 9.197 ( -7.560 0.000 -12.991) 15.031 9.372 ( -6.348 0.000 1.556) 6.536 9.499 ( 3.130 -0.000 4.939) 5.848 10.330 ( 2.459 -0.000 4.240) 4.901 10.540 ( 7.185 -0.000 -4.301) 8.374 10.649 ( 10.900 -0.000 3.934) 11.588 11.032 ( 11.251 -0.000 -3.536) 11.794 11.155 ( -1.560 0.000 7.249) 7.415 11.471 ( 1.130 -0.000 -8.369) 8.445 11.960 ( -14.891 0.000 0.421) 14.897 14.466 ( 1.902 -0.000 6.068) 6.359 14.695 ( -4.225 0.000 4.005) 5.822 ======================= Grid point 481 (246/275) ======================= q-point: (-0.22 -0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -7.419 2.836 -2.912) 8.460 2.473 ( -8.422 1.421 10.026) 13.170 2.740 ( 5.976 6.920 -0.060) 9.143 2.889 ( 10.258 -3.132 -0.989) 10.771 2.996 ( 4.751 -3.977 6.160) 8.737 3.554 ( -0.979 1.303 -2.951) 3.371 3.800 ( -1.415 1.306 -1.558) 2.477 3.922 ( 9.168 -4.477 -9.111) 13.679 4.202 ( 1.241 -1.121 2.996) 3.431 4.530 ( -2.975 -1.492 6.393) 7.207 4.984 ( 4.871 0.405 6.978) 8.520 5.131 ( -8.539 1.912 1.295) 8.846 5.256 ( -8.069 2.044 -6.083) 10.310 6.018 ( 8.223 -1.696 -2.532) 8.770 6.576 ( 10.109 -3.890 -0.421) 10.840 6.868 ( 10.744 -0.788 -0.333) 10.778 7.160 ( -10.595 4.942 -3.362) 12.165 7.554 ( -6.319 3.356 -3.570) 7.996 8.153 ( 0.302 -6.108 1.258) 6.243 8.505 ( -5.506 5.782 2.767) 8.449 8.593 ( -0.941 -1.501 5.144) 5.440 8.966 ( -10.776 1.999 -12.566) 16.673 9.354 ( 2.016 1.994 3.250) 4.313 9.581 ( 3.040 -2.357 5.148) 6.427 10.372 ( 0.576 -1.737 3.796) 4.214 10.648 ( 6.802 0.123 -2.013) 7.095 10.760 ( 0.139 -3.194 -1.415) 3.496 11.118 ( -2.728 2.538 7.643) 8.503 11.281 ( 17.684 0.151 -5.136) 18.416 11.487 ( 4.788 0.228 -4.983) 6.914 11.700 ( -17.347 -1.290 -1.279) 17.442 14.495 ( 2.024 5.028 5.709) 7.872 14.658 ( -3.487 -4.409 3.460) 6.601 ======================= Grid point 482 (247/275) ======================= q-point: (-0.11 -0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( -8.458 0.936 -0.747) 8.543 2.357 ( -7.502 0.456 9.772) 12.328 2.727 ( 3.573 7.149 -1.380) 8.110 3.027 ( 0.993 -4.010 -2.080) 4.626 3.204 ( 14.385 1.198 13.224) 19.576 3.368 ( -10.872 3.397 -10.221) 15.304 3.758 ( -3.314 0.829 0.428) 3.443 4.169 ( 12.935 -1.266 -2.001) 13.150 4.265 ( 4.402 -1.435 0.170) 4.633 4.542 ( -1.896 -5.864 9.614) 11.420 4.973 ( -6.084 3.208 4.887) 8.437 5.010 ( -3.904 3.582 -1.468) 5.498 5.179 ( 3.573 -0.975 -4.770) 6.039 6.179 ( 10.621 -0.242 -2.607) 10.939 6.740 ( 1.133 -0.549 -0.734) 1.457 6.898 ( -1.386 5.343 -2.059) 5.891 7.067 ( 4.030 -3.692 -2.877) 6.176 7.410 ( -5.982 2.032 0.168) 6.320 8.199 ( -5.875 -11.804 -0.186) 13.187 8.304 ( -7.191 11.088 -0.687) 13.233 8.576 ( -3.966 2.346 5.870) 7.463 8.799 ( -8.402 -4.268 -6.316) 11.345 9.390 ( 5.360 3.997 3.458) 7.528 9.668 ( 4.232 -0.393 4.240) 6.004 10.408 ( -2.198 -5.014 3.754) 6.638 10.717 ( -0.211 -0.808 0.196) 0.857 10.767 ( 0.761 -1.940 -4.659) 5.104 11.025 ( -5.227 5.409 6.009) 9.628 11.399 ( -6.171 0.357 -5.885) 8.534 11.480 ( -5.893 -3.873 -5.360) 8.858 11.700 ( 20.533 0.465 -1.009) 20.563 14.451 ( -1.488 4.844 3.260) 6.026 14.699 ( 0.642 -3.906 4.771) 6.200 ======================= Grid point 490 (248/275) ======================= q-point: (-0.22 -0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( -10.562 0.000 -1.885) 10.728 2.363 ( -9.149 0.000 13.506) 16.313 2.868 ( 2.031 -0.000 1.898) 2.780 2.919 ( 4.139 -0.000 -8.511) 9.464 3.212 ( 16.050 -0.000 12.524) 20.358 3.412 ( -9.582 0.000 -13.255) 16.356 3.776 ( -4.594 0.000 3.336) 5.678 4.144 ( 17.802 -0.000 -4.596) 18.386 4.244 ( 4.328 -0.000 1.515) 4.586 4.482 ( -4.211 0.000 10.109) 10.951 5.029 ( -4.416 0.000 -0.804) 4.489 5.031 ( -4.986 0.000 6.531) 8.217 5.167 ( 1.495 -0.000 -6.313) 6.487 6.172 ( 12.241 -0.000 -2.984) 12.599 6.715 ( 9.668 -0.000 -0.332) 9.673 6.986 ( -12.547 0.000 -3.996) 13.168 7.027 ( 9.416 -0.000 -1.057) 9.475 7.444 ( -8.580 0.000 -2.454) 8.924 8.033 ( -7.851 0.000 -1.960) 8.092 8.497 ( -8.865 0.000 7.738) 11.767 8.545 ( -0.628 0.000 2.195) 2.283 8.752 ( -11.207 0.000 -9.720) 14.835 9.464 ( 7.104 -0.000 3.812) 8.062 9.644 ( 4.524 -0.000 5.825) 7.375 10.347 ( -3.623 0.000 4.442) 5.732 10.698 ( -3.723 0.000 -3.124) 4.860 10.748 ( 5.342 -0.000 -1.213) 5.478 11.093 ( -4.527 0.000 5.341) 7.001 11.415 ( -15.209 0.000 -3.194) 15.541 11.418 ( 2.367 -0.000 -6.921) 7.314 11.706 ( 20.489 -0.000 -1.415) 20.538 14.546 ( -5.262 0.000 0.983) 5.354 14.615 ( 4.402 -0.000 6.632) 7.960 ======================= Grid point 491 (249/275) ======================= q-point: (-0.11 -0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -9.206 -0.666 2.675) 9.610 2.264 ( -7.568 -0.085 14.259) 16.144 2.842 ( 1.472 5.978 -3.000) 6.849 2.968 ( -1.370 -3.787 -6.751) 7.862 3.225 ( -6.097 4.659 -11.325) 13.680 3.497 ( 11.789 -0.465 12.643) 17.293 3.689 ( -3.875 -0.242 3.601) 5.296 4.332 ( 4.456 0.954 1.161) 4.703 4.366 ( 10.069 1.070 -1.388) 10.221 4.494 ( 1.282 -5.266 10.617) 11.921 4.897 ( -7.751 2.414 -2.108) 8.388 5.001 ( 1.645 0.734 -2.137) 2.795 5.242 ( 5.357 -0.903 1.750) 5.708 6.374 ( 13.139 0.046 -3.575) 13.617 6.706 ( -10.027 9.010 -2.999) 13.810 6.919 ( 6.761 -6.338 -0.809) 9.302 7.123 ( 1.741 4.632 -1.689) 5.229 7.307 ( -5.549 -3.523 -0.331) 6.581 7.943 ( -8.075 -9.045 -2.991) 12.488 8.285 ( -11.264 7.309 3.239) 13.813 8.517 ( -6.161 0.919 2.663) 6.775 8.585 ( -9.297 -4.217 -4.004) 10.966 9.574 ( 8.726 5.128 4.977) 11.279 9.752 ( 5.437 -1.253 4.797) 7.358 10.290 ( -7.080 -4.048 4.525) 9.327 10.640 ( -3.095 -1.568 -3.676) 5.055 10.806 ( 1.953 0.797 -0.161) 2.116 11.001 ( -5.582 3.298 4.588) 7.942 11.219 ( -7.943 -0.692 -5.358) 9.606 11.413 ( -1.395 -1.845 -6.394) 6.800 12.018 ( 17.712 0.278 -1.875) 17.813 14.453 ( -3.566 2.753 -0.031) 4.505 14.714 ( 3.218 -2.260 6.136) 7.287 ======================= Grid point 500 (250/275) ======================= q-point: (-0.11 -0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -5.849 0.000 8.152) 10.033 2.197 ( -5.817 0.000 16.489) 17.485 2.850 ( -4.410 0.000 -3.920) 5.901 2.875 ( -3.646 0.000 -9.127) 9.828 3.189 ( 0.565 -0.000 -13.688) 13.699 3.483 ( -7.577 0.000 5.524) 9.377 3.830 ( 12.277 -0.000 12.511) 17.529 4.360 ( -2.026 0.000 5.364) 5.734 4.511 ( 4.762 -0.000 2.102) 5.206 4.592 ( 12.343 -0.000 5.621) 13.562 4.780 ( -6.254 0.000 -6.121) 8.751 5.057 ( 4.538 -0.000 -0.825) 4.612 5.326 ( 4.300 -0.000 3.994) 5.869 6.439 ( -7.301 0.000 -5.580) 9.189 6.714 ( 8.480 -0.000 -2.331) 8.795 6.993 ( 6.890 -0.000 0.992) 6.961 7.106 ( -10.426 0.000 -0.656) 10.447 7.239 ( 3.718 -0.000 -1.263) 3.927 7.769 ( -6.114 0.000 -2.245) 6.513 8.108 ( -15.089 0.000 3.638) 15.521 8.400 ( -7.751 0.000 -5.197) 9.332 8.437 ( -6.308 0.000 2.163) 6.668 9.777 ( 9.951 -0.000 5.856) 11.546 9.843 ( 5.691 -0.000 3.773) 6.828 10.151 ( -7.697 0.000 4.007) 8.678 10.589 ( -1.033 0.000 -3.428) 3.581 10.830 ( 0.126 -0.000 1.037) 1.045 10.928 ( -6.568 0.000 4.238) 7.817 11.130 ( -1.524 0.000 -5.633) 5.836 11.342 ( -3.819 0.000 -6.077) 7.177 12.250 ( 11.332 -0.000 -2.438) 11.592 14.414 ( -2.399 0.000 -1.597) 2.882 14.767 ( 2.385 -0.000 6.239) 6.679 ======================= Grid point 501 (251/275) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 0.000 -0.000 0.000) 0.000 2.366 ( 0.000 -0.000 0.000) 0.000 2.382 ( -0.000 0.000 -0.000) 0.000 2.738 ( 0.000 -0.000 -0.000) 0.000 2.939 ( 0.000 -0.000 0.000) 0.000 3.464 ( -0.000 0.000 0.000) 0.000 4.283 ( -0.000 0.000 -0.000) 0.000 4.313 ( 0.000 -0.000 0.000) 0.000 4.519 ( 0.000 -0.000 0.000) 0.000 4.641 ( -0.000 0.000 0.000) 0.000 5.062 ( -0.000 0.000 0.000) 0.000 5.156 ( -0.000 0.000 0.000) 0.000 5.461 ( -0.000 0.000 0.000) 0.000 6.050 ( 0.000 -0.000 0.000) 0.000 6.846 ( -0.000 0.000 0.000) 0.000 7.000 ( -0.000 0.000 0.000) 0.000 7.191 ( 0.000 -0.000 0.000) 0.000 7.216 ( -0.000 0.000 -0.000) 0.000 7.635 ( -0.000 0.000 0.000) 0.000 7.821 ( 0.000 -0.000 0.000) 0.000 8.208 ( 0.000 -0.000 0.000) 0.000 8.328 ( -0.000 0.000 0.000) 0.000 10.012 ( 0.000 -0.000 0.000) 0.000 10.052 ( -0.000 0.000 0.000) 0.000 10.118 ( 0.000 -0.000 0.000) 0.000 10.506 ( 0.000 -0.000 0.000) 0.000 10.844 ( -0.000 0.000 0.000) 0.000 10.849 ( -0.000 0.000 0.000) 0.000 11.051 ( -0.000 0.000 0.000) 0.000 11.154 ( -0.000 0.000 0.000) 0.000 12.385 ( -0.000 0.000 0.000) 0.000 14.347 ( 0.000 -0.000 0.000) 0.000 14.885 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 503 (252/275) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -2.920 -0.416 -11.838) 12.200 2.358 ( 1.503 2.642 0.486) 3.078 2.535 ( 11.088 -1.583 9.801) 14.883 2.731 ( -0.011 1.443 1.795) 2.303 2.895 ( -0.291 7.039 3.166) 7.724 3.503 ( 1.082 -4.863 0.336) 4.993 4.201 ( -6.240 -0.111 -5.183) 8.113 4.364 ( 2.846 -0.073 1.346) 3.150 4.548 ( 1.838 0.961 0.945) 2.279 4.614 ( -2.035 1.268 1.539) 2.849 4.955 ( -11.016 -2.219 -4.615) 12.148 5.104 ( -4.086 2.455 0.497) 4.793 5.434 ( -3.195 0.335 0.858) 3.325 6.156 ( 10.072 -0.823 3.352) 10.647 6.749 ( -6.370 10.482 1.627) 12.374 6.922 ( 3.258 9.890 0.145) 10.414 7.189 ( -5.957 -7.689 -1.693) 9.872 7.278 ( 0.263 -6.801 1.987) 7.090 7.686 ( 0.123 -8.366 3.903) 9.233 7.937 ( 10.849 -1.713 -1.318) 11.062 8.255 ( 6.536 0.104 -1.960) 6.824 8.392 ( 6.897 -1.269 -2.890) 7.585 9.955 ( -4.030 2.751 -1.489) 5.102 10.013 ( -3.628 4.814 -4.331) 7.423 10.155 ( 4.315 -5.147 -2.662) 7.225 10.515 ( -1.097 -1.478 3.633) 4.073 10.779 ( 0.910 6.800 2.249) 7.220 10.915 ( 0.197 -5.487 2.873) 6.196 11.035 ( -0.108 1.958 0.104) 1.964 11.211 ( 4.983 -1.267 -0.931) 5.225 12.348 ( -4.475 0.317 -0.137) 4.488 14.349 ( 0.615 0.703 0.921) 1.312 14.879 ( -1.301 -0.840 -0.404) 1.600 ======================= Grid point 504 (253/275) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( -0.016 -1.710 -8.638) 8.806 2.366 ( 3.167 2.771 -0.159) 4.211 2.677 ( 0.176 4.130 5.557) 6.926 2.774 ( 5.898 -0.982 6.041) 8.499 2.868 ( 7.690 4.682 3.997) 9.851 3.587 ( 3.013 -3.502 0.841) 4.696 4.047 ( -11.699 0.280 -7.774) 14.049 4.379 ( -1.228 2.145 -0.230) 2.482 4.453 ( -7.718 3.396 1.060) 8.499 4.644 ( 6.111 1.780 2.153) 6.719 4.840 ( -6.299 -6.685 -4.917) 10.418 4.999 ( -4.942 2.772 1.267) 5.806 5.362 ( -5.795 -0.045 1.898) 6.098 6.353 ( 10.708 -1.284 3.927) 11.478 6.498 ( -9.975 9.306 1.677) 13.745 6.912 ( 8.091 11.128 -0.596) 13.772 7.150 ( -8.058 -7.385 -0.472) 10.940 7.348 ( 0.174 -4.918 0.852) 4.995 7.836 ( 2.827 -11.101 6.980) 13.415 8.116 ( 8.620 -1.519 -1.900) 8.956 8.399 ( 10.941 -0.511 -3.703) 11.562 8.541 ( 8.975 -3.188 -3.539) 10.161 9.781 ( -9.514 5.703 -5.033) 12.181 9.902 ( -3.418 3.724 -3.231) 5.999 10.315 ( 8.588 -5.378 -3.571) 10.743 10.520 ( 0.178 0.127 5.215) 5.220 10.762 ( 3.307 3.744 1.994) 5.379 10.980 ( -0.021 -3.046 1.532) 3.410 11.022 ( 1.651 1.033 3.052) 3.620 11.305 ( 5.125 -0.627 -0.536) 5.191 12.227 ( -9.966 0.550 -0.602) 9.999 14.361 ( 1.786 1.272 1.507) 2.660 14.859 ( -2.494 -1.456 -0.662) 2.962 ======================= Grid point 505 (254/275) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 1.722 -2.294 -3.867) 4.815 2.397 ( 3.433 1.721 -0.276) 3.850 2.628 ( -0.106 4.517 4.158) 6.141 2.867 ( 6.756 0.884 5.462) 8.733 3.035 ( 8.062 -2.327 4.937) 9.735 3.664 ( 4.341 1.532 -2.641) 5.307 3.771 ( -16.676 1.159 -8.186) 18.613 4.267 ( -5.986 4.462 1.701) 7.658 4.336 ( -4.164 1.732 0.104) 4.510 4.755 ( 6.382 -0.033 0.924) 6.448 4.832 ( -2.896 -5.769 -2.731) 7.009 4.923 ( -0.134 1.832 0.029) 1.837 5.264 ( -7.690 -0.975 3.046) 8.328 6.270 ( -7.360 6.918 0.710) 10.126 6.537 ( 8.249 -2.385 3.243) 9.179 6.904 ( 2.786 7.734 -0.576) 8.241 7.109 ( -4.343 -4.647 -0.358) 6.370 7.400 ( 0.860 -2.880 0.156) 3.009 8.006 ( 3.581 -4.684 7.460) 9.509 8.255 ( 5.650 -6.062 -2.198) 8.573 8.548 ( 8.524 2.380 -4.994) 10.161 8.717 ( 7.251 -5.852 -1.266) 9.404 9.546 ( -9.490 5.437 -4.160) 11.702 9.789 ( -3.563 4.963 -2.850) 6.742 10.481 ( 4.954 -3.993 -1.815) 6.616 10.572 ( 5.145 0.234 4.310) 6.716 10.801 ( 2.238 -0.207 -1.411) 2.654 10.985 ( 1.533 0.791 -0.327) 1.756 11.108 ( 7.150 -0.224 6.164) 9.443 11.381 ( 3.572 -0.566 0.222) 3.624 12.010 ( -15.620 0.627 -1.516) 15.706 14.387 ( 2.642 1.425 1.468) 3.342 14.828 ( -2.930 -1.552 -0.670) 3.382 ======================= Grid point 506 (255/275) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 0.928 -0.983 -0.716) 1.529 2.425 ( 1.282 0.462 0.055) 1.364 2.613 ( 0.888 1.345 0.815) 1.806 3.015 ( 9.264 0.197 4.398) 10.257 3.147 ( 0.203 -1.912 5.794) 6.105 3.463 ( -10.967 1.305 -11.293) 15.796 3.716 ( 2.087 1.691 0.378) 2.713 4.158 ( -2.984 1.596 1.346) 3.642 4.272 ( -1.506 1.101 0.021) 1.866 4.790 ( -1.588 -1.629 0.422) 2.314 4.841 ( 0.054 -0.365 -0.407) 0.549 5.000 ( 9.492 0.568 -2.866) 9.931 5.149 ( -9.217 -1.287 3.510) 9.946 6.133 ( -2.822 2.629 0.131) 3.859 6.683 ( 5.330 -2.385 1.653) 6.069 6.836 ( -2.509 3.601 -0.600) 4.430 7.103 ( -0.660 -1.260 -0.224) 1.440 7.433 ( 0.538 -0.940 -0.010) 1.083 8.074 ( 1.361 0.483 2.378) 2.782 8.430 ( 3.481 -10.808 2.311) 11.588 8.566 ( 2.082 7.772 -5.051) 9.500 8.861 ( 2.997 -3.644 0.335) 4.730 9.376 ( -4.099 2.443 -1.741) 5.080 9.688 ( -1.960 2.867 -1.192) 3.672 10.549 ( 1.046 -1.159 0.243) 1.580 10.677 ( 5.891 0.117 3.196) 6.703 10.781 ( -3.919 -0.767 -3.597) 5.375 11.016 ( 1.388 -0.131 0.210) 1.410 11.290 ( 11.005 1.051 2.665) 11.371 11.453 ( 6.238 -1.223 2.098) 6.694 11.718 ( -17.792 0.664 -2.721) 18.011 14.414 ( 1.428 0.693 0.639) 1.711 14.802 ( -1.460 -0.731 -0.310) 1.662 ======================= Grid point 512 (256/275) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -0.191 0.000 -9.215) 9.217 2.409 ( 3.278 -0.000 -0.283) 3.290 2.729 ( 9.174 -0.000 7.982) 12.161 2.743 ( -0.218 0.000 2.841) 2.849 2.936 ( -0.368 0.000 7.762) 7.771 3.543 ( 7.243 -0.000 -0.155) 7.244 4.044 ( -11.619 0.000 -7.414) 13.783 4.384 ( -0.620 0.000 0.543) 0.824 4.519 ( -7.180 0.000 0.725) 7.216 4.673 ( 6.743 -0.000 3.863) 7.771 4.735 ( -9.568 0.000 -6.969) 11.837 5.040 ( -5.027 0.000 0.730) 5.080 5.364 ( -5.920 0.000 1.526) 6.113 6.321 ( 6.319 -0.000 5.903) 8.647 6.665 ( -7.524 0.000 2.161) 7.828 7.028 ( -7.822 0.000 -2.196) 8.125 7.112 ( 10.244 -0.000 -0.732) 10.270 7.208 ( -3.232 0.000 1.766) 3.683 7.688 ( 4.218 -0.000 5.372) 6.830 8.118 ( 11.283 -0.000 1.801) 11.426 8.410 ( 12.682 -0.000 -5.272) 13.734 8.501 ( 7.721 -0.000 -3.837) 8.622 9.888 ( -10.390 0.000 -5.753) 11.876 9.911 ( -3.510 0.000 -3.083) 4.671 10.241 ( 9.570 -0.000 -4.812) 10.711 10.507 ( -0.041 0.000 4.881) 4.881 10.844 ( 0.017 -0.000 0.331) 0.331 10.908 ( 3.022 -0.000 7.044) 7.665 11.042 ( 0.419 -0.000 2.458) 2.493 11.299 ( 6.079 -0.000 -2.474) 6.563 12.233 ( -9.996 0.000 -0.734) 10.023 14.380 ( 2.298 -0.000 1.766) 2.899 14.839 ( -2.854 0.000 -0.821) 2.970 ======================= Grid point 513 (257/275) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 2.908 -0.756 -4.064) 5.054 2.461 ( 4.899 2.774 -0.771) 5.683 2.723 ( -1.018 3.527 4.248) 5.614 2.856 ( 3.467 -2.200 5.588) 6.934 2.986 ( 3.968 -0.946 10.005) 10.805 3.695 ( 10.347 0.973 -1.228) 10.465 3.777 ( -18.595 -0.275 -8.277) 20.356 4.339 ( -12.184 2.386 1.112) 12.465 4.352 ( -2.500 -0.016 -2.290) 3.390 4.651 ( -3.235 -4.361 -4.849) 7.280 4.812 ( 8.480 0.209 4.412) 9.562 4.976 ( -0.719 1.847 0.228) 1.996 5.260 ( -7.225 0.138 2.118) 7.530 6.298 ( -10.454 -1.323 4.305) 11.383 6.649 ( 9.816 8.143 2.051) 12.918 6.920 ( -8.703 -5.461 -0.855) 10.309 7.098 ( -1.888 4.977 1.078) 5.431 7.310 ( 5.546 -4.791 -0.365) 7.337 7.841 ( 7.244 -7.207 6.583) 12.156 8.279 ( 9.742 4.283 2.454) 10.921 8.581 ( 9.523 0.916 -4.170) 10.436 8.621 ( 7.085 -3.043 -5.206) 9.304 9.668 ( -10.127 5.194 -4.609) 12.279 9.848 ( -3.868 -0.306 -4.872) 6.229 10.387 ( 6.699 -2.803 -4.589) 8.591 10.549 ( 2.906 -1.476 5.013) 5.980 10.822 ( -1.172 1.293 -1.487) 2.293 10.987 ( 2.843 -0.394 6.585) 7.183 11.112 ( 8.760 0.352 4.815) 10.002 11.374 ( 3.807 -0.150 -3.004) 4.852 12.020 ( -15.678 0.242 -1.951) 15.801 14.430 ( 4.126 1.720 2.099) 4.938 14.787 ( -4.051 -1.601 -1.022) 4.475 ======================= Grid point 514 (258/275) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 4.275 0.072 0.572) 4.314 2.490 ( 3.671 4.805 0.327) 6.056 2.674 ( -0.469 3.856 0.636) 3.936 2.960 ( 1.828 -5.615 4.802) 7.611 3.116 ( 6.903 -0.170 12.360) 14.157 3.450 ( -17.956 -1.763 -7.936) 19.711 3.791 ( 4.398 4.329 -3.661) 7.175 4.123 ( -13.358 -2.636 2.081) 13.774 4.314 ( -0.504 0.781 -4.487) 4.583 4.640 ( -3.793 -5.490 -1.261) 6.791 4.937 ( 6.233 3.375 4.451) 8.370 5.023 ( 9.824 1.083 -1.847) 10.055 5.143 ( -7.516 0.607 2.509) 7.947 6.142 ( -9.565 -1.109 1.269) 9.713 6.723 ( 4.517 3.185 1.032) 5.622 6.861 ( -2.342 -0.155 1.131) 2.606 7.027 ( -5.019 -2.503 1.370) 5.773 7.419 ( 4.643 -0.270 -0.579) 4.687 8.080 ( 8.172 -8.617 8.792) 14.776 8.327 ( 4.474 8.204 -0.918) 9.390 8.686 ( 5.022 2.877 -3.260) 6.643 8.746 ( 4.912 -5.980 -2.139) 8.029 9.457 ( -6.968 4.940 -3.140) 9.100 9.765 ( -3.145 2.313 -5.442) 6.697 10.472 ( 0.684 -4.051 -1.446) 4.355 10.652 ( 4.951 -2.443 4.180) 6.925 10.763 ( -4.826 -0.447 -2.904) 5.651 11.044 ( 2.852 1.726 5.769) 6.663 11.319 ( 12.027 1.709 1.130) 12.200 11.422 ( 5.067 -1.737 -0.438) 5.374 11.730 ( -17.600 0.423 -3.890) 18.029 14.468 ( 3.103 3.868 1.254) 5.114 14.753 ( -2.649 -3.446 -0.470) 4.372 ======================= Grid point 515 (259/275) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 2.496 2.696 2.699) 4.559 2.481 ( 1.774 5.256 0.119) 5.549 2.622 ( -2.452 2.235 -0.854) 3.425 2.973 ( -9.504 -4.013 0.026) 10.316 3.162 ( -3.598 -0.542 -3.982) 5.394 3.404 ( 9.486 -3.242 14.471) 17.605 3.715 ( -6.191 0.856 -3.457) 7.142 4.039 ( -3.811 -7.000 0.023) 7.970 4.297 ( 1.585 1.483 -5.227) 5.659 4.649 ( -3.109 -6.827 0.293) 7.507 4.984 ( 0.539 2.986 3.734) 4.811 5.026 ( -1.074 5.418 1.882) 5.836 5.187 ( 11.235 1.832 -2.613) 11.679 6.052 ( -4.469 -3.878 0.118) 5.919 6.715 ( -7.277 -6.830 -0.661) 10.002 6.824 ( 1.324 8.085 0.437) 8.204 7.026 ( -0.744 -5.217 2.850) 5.992 7.466 ( 2.947 2.183 -0.662) 3.727 8.238 ( 6.075 13.154 2.432) 14.691 8.336 ( -0.375 -11.901 5.037) 12.929 8.636 ( -2.761 6.850 -3.569) 8.203 8.872 ( 3.027 -2.769 0.715) 4.164 9.359 ( 0.430 1.227 -0.775) 1.514 9.688 ( -0.875 2.051 -4.391) 4.925 10.501 ( -2.264 -4.404 -0.905) 5.034 10.664 ( -6.854 -0.912 -2.632) 7.399 10.765 ( 3.515 -2.381 4.150) 5.937 11.062 ( 0.230 3.276 5.045) 6.019 11.272 ( -11.987 -0.643 -3.745) 12.575 11.481 ( -5.555 1.479 -5.022) 7.633 11.700 ( 18.108 -1.071 1.515) 18.203 14.446 ( -0.581 3.586 -0.312) 3.646 14.778 ( 1.134 -2.870 0.501) 3.127 ======================= Grid point 516 (260/275) ======================= q-point: (-0.44 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -0.067 4.130 3.933) 5.704 2.429 ( -1.398 5.080 -0.561) 5.298 2.551 ( -4.080 -2.305 -2.801) 5.459 2.844 ( -7.271 -1.347 -3.050) 7.999 3.044 ( -12.632 -1.267 -1.052) 12.739 3.631 ( 0.954 -2.129 3.821) 4.477 3.716 ( 12.788 -4.042 7.222) 15.232 4.123 ( 3.141 -8.318 0.388) 8.899 4.311 ( 3.150 -0.127 -5.192) 6.074 4.666 ( -5.022 -6.228 0.401) 8.010 4.886 ( -5.456 0.301 1.291) 5.615 5.044 ( 8.117 9.834 2.683) 13.031 5.308 ( 7.936 2.855 -3.277) 9.049 6.089 ( 0.907 -7.739 0.438) 7.804 6.644 ( -6.260 -0.766 -3.292) 7.115 6.735 ( -8.219 -2.946 1.057) 8.794 7.105 ( 3.623 -2.609 2.760) 5.249 7.472 ( 2.473 4.118 -1.115) 4.931 8.161 ( 2.034 10.038 -3.967) 10.984 8.377 ( -8.968 0.702 6.895) 11.334 8.518 ( -1.681 2.129 1.420) 3.062 8.862 ( -2.350 6.515 0.090) 6.926 9.443 ( 7.573 -3.699 2.188) 8.708 9.698 ( 2.603 -2.724 -1.407) 4.022 10.483 ( -4.543 -3.301 -2.938) 6.338 10.555 ( -7.456 -1.162 -0.524) 7.565 10.811 ( -3.054 -0.802 2.095) 3.789 10.970 ( -7.363 -0.221 2.955) 7.937 11.129 ( -1.670 1.971 -3.393) 4.265 11.401 ( -2.696 1.268 -4.273) 5.209 11.994 ( 15.588 -0.866 0.789) 15.632 14.392 ( -1.712 2.050 -1.062) 2.874 14.834 ( 2.485 -1.174 0.693) 2.834 ======================= Grid point 517 (261/275) ======================= q-point: (-0.33 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -0.787 3.193 7.072) 7.799 2.346 ( -3.188 1.821 0.115) 3.673 2.557 ( 0.356 -6.349 -6.643) 9.196 2.755 ( -5.390 -1.031 1.461) 5.679 2.809 ( -15.925 -1.864 -5.173) 16.847 3.655 ( 1.982 1.512 -1.455) 2.886 4.008 ( 12.205 -3.393 8.847) 15.452 4.272 ( 3.629 -6.271 0.054) 7.245 4.397 ( 6.830 -3.401 -2.017) 7.892 4.595 ( -8.204 -2.532 0.181) 8.588 4.869 ( 0.766 -3.440 -0.222) 3.531 5.071 ( 7.239 9.317 2.048) 11.975 5.378 ( 5.071 1.604 -2.529) 5.889 6.214 ( 0.771 -8.882 1.984) 9.133 6.515 ( -3.276 5.178 -6.425) 8.879 6.658 ( -11.594 -12.658 1.668) 17.246 7.200 ( 3.671 -2.497 2.038) 4.885 7.459 ( 3.847 6.750 -2.001) 8.023 8.069 ( 0.512 9.117 -7.857) 12.046 8.188 ( -9.654 4.697 6.734) 12.673 8.455 ( -5.188 3.266 4.506) 7.608 8.684 ( -6.339 11.610 0.447) 13.235 9.659 ( 10.272 -5.934 3.862) 12.476 9.796 ( 3.306 -5.134 1.541) 6.298 10.401 ( -8.365 1.540 1.715) 8.677 10.459 ( -4.004 -4.473 -5.633) 8.232 10.725 ( -4.984 -0.907 -1.534) 5.293 10.947 ( -1.902 -3.428 3.762) 5.433 11.084 ( 0.529 4.528 -2.996) 5.455 11.328 ( -3.212 1.532 -2.824) 4.543 12.212 ( 9.938 -0.856 0.230) 9.978 14.351 ( -1.029 0.793 -1.130) 1.722 14.879 ( 2.069 0.074 0.535) 2.138 ======================= Grid point 518 (262/275) ======================= q-point: (-0.22 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 1.437 1.011 10.030) 10.183 2.302 ( -2.106 -1.433 -0.704) 2.642 2.562 ( -10.785 0.408 -6.303) 12.499 2.651 ( 1.525 -9.116 -9.947) 13.578 2.716 ( -3.717 -3.733 5.130) 7.353 3.640 ( 1.469 6.163 -0.947) 6.406 4.196 ( 6.480 -1.066 3.583) 7.481 4.348 ( -1.693 -2.550 0.868) 3.182 4.484 ( -1.371 -3.204 -0.018) 3.486 4.577 ( 3.237 -3.300 -1.331) 4.810 4.965 ( 4.755 -4.946 1.008) 6.935 5.096 ( 5.422 5.797 1.030) 8.005 5.428 ( 2.752 0.064 -1.190) 2.999 6.189 ( -7.690 1.915 -0.452) 7.938 6.513 ( 0.528 -9.578 -1.797) 9.759 6.667 ( -3.300 -12.729 -0.646) 13.165 7.277 ( 1.454 -2.705 1.312) 3.339 7.439 ( 5.228 10.294 -2.473) 11.808 7.934 ( -2.938 7.087 -4.365) 8.827 8.019 ( -4.982 9.392 3.515) 11.197 8.331 ( -4.066 5.766 2.303) 7.421 8.458 ( -6.976 8.346 1.611) 10.996 9.869 ( 5.980 -5.108 1.236) 7.961 9.905 ( 2.749 -4.727 4.226) 6.911 10.252 ( -5.538 3.310 0.791) 6.501 10.485 ( 0.642 -6.367 -4.010) 7.551 10.679 ( -2.144 -1.358 -1.260) 2.833 10.964 ( -2.053 -4.291 2.006) 5.163 11.029 ( 0.300 5.515 -2.235) 5.958 11.254 ( -2.548 2.401 -1.100) 3.669 12.336 ( 4.486 -0.772 0.016) 4.552 14.335 ( -0.290 -0.123 -0.735) 0.800 14.901 ( 1.106 0.817 0.306) 1.408 ======================= Grid point 519 (263/275) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 0.000 -0.358 0.000) 0.358 2.297 ( -0.000 -3.045 0.000) 3.045 2.436 ( -0.000 1.949 0.000) 1.949 2.707 ( 0.000 -2.345 -0.000) 2.345 2.789 ( -0.000 -11.247 0.000) 11.247 3.572 ( -0.000 7.687 0.000) 7.687 4.286 ( -0.000 -0.312 -0.000) 0.312 4.302 ( 0.000 -0.129 0.000) 0.129 4.514 ( 0.000 -2.775 0.000) 2.775 4.624 ( -0.000 -0.777 0.000) 0.777 5.072 ( -0.000 -2.415 0.000) 2.415 5.112 ( 0.000 0.009 0.000) 0.009 5.453 ( -0.000 -0.540 0.000) 0.540 6.076 ( 0.000 2.721 0.000) 2.721 6.637 ( -0.000 -13.299 0.000) 13.299 6.797 ( -0.000 -12.745 0.000) 12.745 7.303 ( -0.000 0.787 0.000) 0.787 7.366 ( -0.000 11.352 0.000) 11.352 7.824 ( -0.000 15.487 0.000) 15.487 7.862 ( 0.000 2.574 -0.000) 2.574 8.231 ( -0.000 5.296 0.000) 5.296 8.349 ( -0.000 1.572 0.000) 1.572 9.967 ( 0.000 -5.420 -0.000) 5.420 9.979 ( -0.000 -2.468 0.000) 2.468 10.178 ( -0.000 3.089 0.000) 3.089 10.536 ( -0.000 -0.381 0.000) 0.381 10.693 ( -0.000 -5.937 0.000) 5.937 10.969 ( 0.000 5.345 -0.000) 5.345 10.994 ( -0.000 -4.198 0.000) 4.198 11.199 ( -0.000 3.033 0.000) 3.033 12.378 ( -0.000 -0.588 0.000) 0.588 14.336 ( 0.000 -0.668 0.000) 0.668 14.900 ( -0.000 1.083 0.000) 1.083 ======================= Grid point 523 (264/275) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 5.760 -0.000 0.985) 5.844 2.565 ( 5.716 -0.000 -0.672) 5.755 2.737 ( -1.301 0.000 3.777) 3.995 2.858 ( -1.069 0.000 2.936) 3.125 3.119 ( 9.330 -0.000 14.768) 17.469 3.425 ( -21.022 0.000 -7.153) 22.206 3.848 ( 7.066 -0.000 -3.836) 8.040 4.089 ( -19.676 0.000 0.828) 19.694 4.311 ( -0.848 0.000 -5.391) 5.457 4.586 ( -1.839 0.000 -1.078) 2.132 4.971 ( 8.225 -0.000 6.409) 10.427 5.036 ( 7.377 -0.000 -1.582) 7.545 5.154 ( -5.945 0.000 1.223) 6.070 6.125 ( -10.363 0.000 2.002) 10.555 6.725 ( -9.915 0.000 -1.103) 9.976 6.897 ( 12.360 -0.000 4.369) 13.110 7.009 ( -8.847 0.000 0.763) 8.880 7.418 ( 7.257 -0.000 0.610) 7.282 7.943 ( 7.716 -0.000 6.374) 10.008 8.507 ( 12.046 -0.000 5.609) 13.288 8.607 ( -0.135 0.000 -3.452) 3.455 8.731 ( 5.917 -0.000 -6.435) 8.741 9.537 ( -7.946 0.000 -3.528) 8.694 9.768 ( -3.418 0.000 -6.441) 7.292 10.432 ( 1.703 -0.000 -3.254) 3.673 10.612 ( 4.189 -0.000 5.283) 6.742 10.760 ( -5.479 0.000 -2.810) 6.158 11.065 ( 3.307 -0.000 8.263) 8.900 11.351 ( 18.137 -0.000 3.106) 18.401 11.391 ( -1.097 0.000 -4.144) 4.286 11.735 ( -17.465 0.000 -4.380) 18.006 14.532 ( 5.885 -0.000 2.283) 6.313 14.695 ( -5.242 0.000 -1.313) 5.404 ======================= Grid point 524 (265/275) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 5.425 1.520 4.172) 7.011 2.613 ( 2.694 5.755 4.757) 7.938 2.702 ( -0.285 4.077 -4.518) 6.092 2.850 ( -7.569 -6.241 2.684) 10.171 3.124 ( -11.690 -2.374 -5.531) 13.149 3.359 ( 13.938 -0.719 16.142) 21.339 3.731 ( -20.364 0.448 -0.284) 20.371 3.922 ( 0.134 -3.094 -3.830) 4.925 4.300 ( 0.821 -0.780 -6.824) 6.917 4.562 ( -2.404 -1.406 2.224) 3.564 5.002 ( -6.313 0.160 4.498) 7.753 5.151 ( 8.658 4.430 1.123) 9.790 5.206 ( 11.745 -0.526 -1.613) 11.866 5.992 ( -6.919 -1.527 0.153) 7.087 6.580 ( -10.577 -4.191 -0.456) 11.386 6.867 ( -9.715 -1.702 -0.126) 9.864 7.076 ( 11.845 5.878 4.720) 14.040 7.508 ( 4.346 1.226 1.305) 4.701 8.098 ( 2.699 -7.690 6.205) 10.243 8.522 ( 4.112 10.839 -0.291) 11.596 8.731 ( -2.952 1.884 -5.092) 6.180 8.767 ( 8.612 -5.840 5.252) 11.656 9.423 ( -1.580 3.501 -3.310) 5.070 9.706 ( -2.750 -0.945 -7.110) 7.682 10.430 ( -1.667 -1.325 -0.741) 2.255 10.648 ( -7.422 -0.390 -2.993) 8.012 10.701 ( 2.725 -2.601 4.300) 5.716 11.118 ( 0.203 1.434 8.042) 8.171 11.264 ( -12.692 -0.101 -3.368) 13.131 11.512 ( -5.463 1.034 -7.704) 9.501 11.677 ( 19.354 -0.815 0.967) 19.395 14.554 ( -0.697 5.917 -0.150) 5.960 14.685 ( 1.554 -5.467 0.698) 5.727 ======================= Grid point 525 (266/275) ======================= q-point: (-0.56 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 0.684 4.193 4.763) 6.382 2.540 ( -8.610 1.673 0.324) 8.777 2.601 ( 1.084 9.575 -2.005) 9.843 2.785 ( -5.288 -4.291 -0.978) 6.880 3.014 ( -10.795 -0.948 -0.317) 10.842 3.497 ( -10.350 -10.102 -1.689) 14.561 3.661 ( 16.541 -0.475 14.954) 22.304 3.972 ( 2.787 -4.843 -2.045) 5.950 4.311 ( 1.837 -0.570 -7.392) 7.638 4.549 ( -3.471 -3.470 3.710) 6.152 4.892 ( -7.172 0.037 1.732) 7.378 5.241 ( 9.512 7.902 1.965) 12.522 5.366 ( 8.407 1.899 -2.276) 8.914 5.958 ( -0.777 -4.621 -0.340) 4.698 6.467 ( -11.887 -8.479 0.274) 14.604 6.729 ( -10.027 -2.365 -1.847) 10.467 7.178 ( 9.102 8.548 3.976) 13.105 7.549 ( 3.384 2.755 1.612) 4.651 8.162 ( -7.075 -8.224 1.191) 10.913 8.521 ( 7.297 11.557 6.258) 15.033 8.589 ( -6.997 2.733 -3.484) 8.281 8.939 ( 6.544 0.701 4.100) 7.754 9.419 ( 5.420 1.443 -1.879) 5.915 9.664 ( -1.262 -1.407 -5.903) 6.198 10.408 ( -3.687 -2.539 -0.575) 4.513 10.522 ( -7.984 -1.298 -2.061) 8.347 10.748 ( -3.746 -4.289 1.315) 5.844 10.970 ( -12.484 0.008 1.386) 12.561 11.184 ( 1.536 2.477 2.836) 4.067 11.431 ( -1.927 1.315 -7.680) 8.026 11.976 ( 15.813 -0.758 0.042) 15.831 14.468 ( -1.859 4.553 -0.886) 4.997 14.780 ( 2.967 -3.587 0.925) 4.746 ======================= Grid point 526 (267/275) ======================= q-point: (-0.44 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -4.229 2.516 4.698) 6.804 2.400 ( -6.400 0.028 -2.250) 6.784 2.520 ( 0.405 7.325 0.123) 7.338 2.739 ( -7.316 -3.137 -4.059) 8.936 2.778 ( -12.296 1.578 1.778) 12.524 3.569 ( 1.791 -10.652 -1.670) 10.929 3.945 ( 12.770 -1.206 8.467) 15.369 4.126 ( 7.266 -6.854 3.254) 10.505 4.337 ( 3.245 -1.561 -6.473) 7.407 4.528 ( -5.946 -3.598 4.119) 8.078 4.806 ( -3.944 -2.078 -0.897) 4.548 5.290 ( 7.856 10.220 1.658) 12.997 5.424 ( 3.513 2.499 -2.328) 4.899 6.056 ( 4.461 -6.320 0.998) 7.800 6.377 ( -13.261 -12.310 1.197) 18.133 6.576 ( -9.535 -0.364 -4.618) 10.601 7.217 ( 4.709 5.933 2.703) 8.042 7.581 ( 5.123 4.209 1.141) 6.727 8.097 ( -8.412 -4.197 -2.165) 9.647 8.363 ( -7.574 5.980 1.444) 9.757 8.571 ( 3.998 10.362 4.970) 12.168 8.955 ( 1.782 10.744 1.347) 10.974 9.546 ( 8.923 -3.283 -0.241) 9.511 9.693 ( 1.981 -4.927 -0.627) 5.347 10.352 ( -5.556 -2.798 -3.293) 7.039 10.414 ( -7.703 -1.632 0.024) 7.874 10.672 ( -7.414 -4.180 -2.983) 9.019 10.874 ( -4.313 -3.027 3.775) 6.481 11.183 ( 1.732 4.265 1.815) 4.948 11.366 ( -1.767 1.799 -5.885) 6.402 12.193 ( 10.055 -0.806 -0.280) 10.091 14.400 ( -0.753 3.638 -0.867) 3.815 14.855 ( 2.065 -2.325 0.580) 3.163 ======================= Grid point 527 (268/275) ======================= q-point: (-0.33 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( -1.437 -0.028 6.221) 6.384 2.300 ( -5.895 -1.083 -1.022) 6.081 2.469 ( -3.543 -1.363 -1.113) 3.956 2.579 ( -4.175 0.407 -5.224) 6.700 2.697 ( -2.929 0.739 0.659) 3.091 3.689 ( 2.598 -3.735 -0.815) 4.622 4.149 ( 7.900 -2.670 3.533) 9.056 4.260 ( 1.709 -3.855 -0.739) 4.281 4.450 ( -6.930 -1.878 1.931) 7.435 4.465 ( 6.513 -5.060 1.078) 8.317 4.827 ( 0.938 -6.605 -1.514) 6.841 5.285 ( 5.019 10.631 1.094) 11.807 5.440 ( 1.655 0.956 -1.431) 2.388 6.194 ( 3.630 -2.926 3.147) 5.625 6.311 ( -11.946 -11.785 1.698) 16.866 6.446 ( -4.587 -4.802 -6.766) 9.480 7.231 ( 1.417 1.231 1.320) 2.294 7.634 ( 8.004 6.289 -0.380) 10.186 7.954 ( -11.160 0.226 -0.026) 11.162 8.258 ( 0.678 2.687 -1.788) 3.298 8.460 ( -2.796 13.923 4.848) 15.006 8.796 ( -1.107 18.197 0.024) 18.231 9.730 ( 4.989 -7.296 -1.528) 8.970 9.813 ( 5.064 -4.646 4.970) 8.481 10.290 ( -5.761 -0.247 1.136) 5.877 10.326 ( -3.297 -5.641 -5.086) 8.281 10.639 ( -1.966 -3.665 -1.735) 4.506 10.861 ( -3.692 -5.030 2.537) 6.736 11.154 ( 0.963 5.796 0.069) 5.875 11.307 ( -1.220 2.402 -2.744) 3.845 12.318 ( 4.561 -0.831 -0.205) 4.641 14.360 ( -0.044 2.546 -0.559) 2.607 14.899 ( 1.002 -1.177 0.272) 1.570 ======================= Grid point 528 (269/275) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 0.000 -0.600 0.000) 0.600 2.256 ( 0.000 -1.604 0.000) 1.604 2.438 ( -0.000 -2.278 0.000) 2.278 2.580 ( -0.000 -4.844 0.000) 4.844 2.668 ( 0.000 -0.637 -0.000) 0.637 3.710 ( -0.000 3.340 0.000) 3.340 4.252 ( -0.000 -2.336 0.000) 2.336 4.305 ( 0.000 -1.187 -0.000) 1.187 4.409 ( -0.000 -4.705 0.000) 4.705 4.576 ( 0.000 -4.293 0.000) 4.293 4.928 ( 0.000 -8.229 0.000) 8.229 5.227 ( -0.000 8.602 0.000) 8.602 5.448 ( -0.000 0.099 0.000) 0.099 6.174 ( 0.000 5.958 0.000) 5.958 6.351 ( -0.000 -13.586 0.000) 13.586 6.523 ( -0.000 -12.510 0.000) 12.510 7.250 ( -0.000 -2.439 0.000) 2.439 7.631 ( 0.000 12.656 0.000) 12.656 7.841 ( -0.000 -3.664 0.000) 3.664 8.220 ( 0.000 20.319 0.000) 20.319 8.299 ( -0.000 -2.056 0.000) 2.056 8.575 ( -0.000 19.274 0.000) 19.274 9.838 ( 0.000 -6.694 0.000) 6.694 9.919 ( 0.000 -3.316 0.000) 3.316 10.227 ( -0.000 1.508 0.000) 1.508 10.387 ( -0.000 -9.775 0.000) 9.775 10.651 ( -0.000 -1.439 0.000) 1.439 10.889 ( -0.000 -5.468 0.000) 5.468 11.095 ( -0.000 6.349 0.000) 6.349 11.264 ( -0.000 2.898 0.000) 2.898 12.362 ( -0.000 -0.834 0.000) 0.834 14.339 ( -0.000 1.235 0.000) 1.235 14.914 ( -0.000 -0.100 0.000) 0.100 ======================= Grid point 534 (270/275) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -0.210 0.000 5.254) 5.258 2.610 ( -12.308 0.000 -1.502) 12.400 2.657 ( -4.435 0.000 7.715) 8.899 2.775 ( 5.287 -0.000 -6.951) 8.733 3.001 ( -1.169 0.000 -2.114) 2.416 3.345 ( -22.534 0.000 0.093) 22.534 3.661 ( 17.225 -0.000 16.695) 23.988 3.921 ( 1.988 -0.000 -4.467) 4.889 4.296 ( 1.591 -0.000 -7.025) 7.202 4.520 ( -3.298 0.000 4.073) 5.241 4.891 ( -7.708 0.000 1.996) 7.962 5.356 ( 10.293 -0.000 4.370) 11.182 5.366 ( 9.552 -0.000 -4.033) 10.368 5.902 ( -2.458 0.000 -1.253) 2.758 6.369 ( -12.449 0.000 0.432) 12.457 6.695 ( -9.751 0.000 -1.116) 9.814 7.305 ( 9.677 -0.000 3.406) 10.258 7.583 ( 3.848 -0.000 3.694) 5.334 8.037 ( -6.259 0.000 3.412) 7.128 8.619 ( -9.865 0.000 -3.940) 10.623 8.665 ( 8.309 -0.000 0.305) 8.315 8.938 ( 11.114 -0.000 10.334) 15.175 9.455 ( 4.229 -0.000 -4.512) 6.184 9.631 ( -3.084 0.000 -7.682) 8.278 10.387 ( -2.888 0.000 1.072) 3.080 10.511 ( -7.839 0.000 -3.680) 8.660 10.685 ( -4.938 0.000 1.083) 5.055 10.970 ( -13.285 0.000 1.007) 13.323 11.213 ( 1.836 -0.000 5.210) 5.524 11.447 ( -1.735 0.000 -9.012) 9.178 11.966 ( 16.033 -0.000 -0.297) 16.035 14.538 ( -3.269 0.000 -1.066) 3.439 14.721 ( 4.482 -0.000 1.281) 4.661 ======================= Grid point 535 (271/275) ======================= q-point: (-0.56 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -11.317 -0.867 2.375) 11.596 2.463 ( -5.157 5.808 1.074) 7.841 2.595 ( -7.646 -5.162 0.820) 9.262 2.779 ( 1.111 4.624 -2.941) 5.591 2.873 ( -6.981 11.755 1.119) 13.717 3.248 ( -1.019 -17.189 -0.985) 17.248 3.950 ( 9.017 0.984 3.283) 9.647 4.009 ( 12.337 -3.531 8.176) 15.216 4.311 ( 1.823 -1.019 -6.751) 7.067 4.474 ( -4.584 -1.063 5.184) 7.001 4.776 ( -6.818 -0.760 -0.709) 6.896 5.450 ( 4.823 2.513 -2.780) 6.108 5.498 ( 7.559 4.964 3.444) 9.677 5.927 ( 3.045 -4.884 -1.411) 5.926 6.184 ( -13.713 -4.748 0.911) 14.540 6.548 ( -8.680 -1.085 -2.518) 9.103 7.379 ( 3.443 5.871 0.948) 6.872 7.662 ( 6.181 3.930 5.412) 9.108 7.956 ( -7.653 -7.099 1.147) 10.502 8.421 ( -11.892 1.027 -2.560) 12.208 8.803 ( 11.142 7.072 3.809) 13.736 9.102 ( 7.353 3.799 7.211) 10.977 9.537 ( 7.268 1.066 -3.768) 8.255 9.578 ( -2.854 -4.722 -5.435) 7.744 10.337 ( -3.935 0.614 1.810) 4.374 10.383 ( -6.644 -0.220 -3.514) 7.520 10.564 ( -9.731 -4.710 -3.509) 11.366 10.830 ( -6.592 -1.016 2.805) 7.236 11.249 ( 1.710 1.628 5.178) 5.691 11.396 ( -1.095 0.837 -8.116) 8.232 12.180 ( 10.262 -0.342 -0.678) 10.290 14.482 ( -1.156 2.947 -0.731) 3.249 14.796 ( 2.584 -2.298 0.671) 3.522 ======================= Grid point 536 (272/275) ======================= q-point: (-0.44 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( -6.126 -4.612 1.215) 7.763 2.274 ( -11.183 0.680 1.102) 11.257 2.543 ( -2.047 0.813 -1.322) 2.569 2.682 ( 0.467 13.399 -0.783) 13.430 2.735 ( -1.938 2.270 0.547) 3.035 3.457 ( 2.384 -16.276 -0.629) 16.462 4.072 ( 5.381 -4.287 -0.073) 6.880 4.249 ( 7.637 2.081 4.769) 9.241 4.348 ( 2.660 -3.367 -2.742) 5.092 4.433 ( -3.014 -1.607 6.454) 7.302 4.707 ( -3.295 -4.173 -3.227) 6.220 5.464 ( 0.990 1.421 -1.941) 2.601 5.524 ( 5.477 10.648 1.885) 12.121 6.047 ( -11.780 -9.398 0.869) 15.095 6.076 ( 5.589 -8.169 1.006) 9.949 6.417 ( -7.341 0.127 -3.723) 8.232 7.339 ( 0.845 6.914 0.529) 6.986 7.708 ( 3.436 2.504 2.583) 4.975 7.953 ( -1.799 -2.292 1.037) 3.093 8.235 ( -8.915 -1.378 -1.802) 9.199 8.827 ( 5.499 16.774 3.568) 18.010 9.119 ( 2.637 10.496 1.762) 10.965 9.573 ( -0.213 -7.690 -4.668) 8.999 9.702 ( 6.540 -4.437 2.964) 8.441 10.253 ( -3.868 0.765 -1.417) 4.190 10.293 ( -4.764 -0.684 -1.116) 4.940 10.519 ( -3.064 -7.123 -2.347) 8.101 10.765 ( -5.136 -3.569 1.925) 6.544 11.257 ( 1.087 3.458 3.258) 4.873 11.351 ( -0.658 1.585 -5.034) 5.318 12.303 ( 4.705 -0.521 -0.440) 4.754 14.434 ( -0.064 3.866 -0.419) 3.890 14.854 ( 1.092 -2.665 0.277) 2.893 ======================= Grid point 537 (273/275) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 0.000 -8.189 0.000) 8.189 2.171 ( 0.000 -0.437 0.000) 0.437 2.486 ( 0.000 6.226 0.000) 6.226 2.586 ( -0.000 5.079 0.000) 5.079 2.690 ( 0.000 2.389 0.000) 2.389 3.630 ( -0.000 -11.341 0.000) 11.341 4.193 ( 0.000 -7.070 0.000) 7.070 4.255 ( -0.000 3.379 -0.000) 3.379 4.369 ( -0.000 -1.452 0.000) 1.452 4.479 ( -0.000 -3.289 0.000) 3.289 4.752 ( 0.000 -7.797 0.000) 7.797 5.452 ( -0.000 11.778 0.000) 11.778 5.457 ( -0.000 0.745 -0.000) 0.745 6.060 ( -0.000 -12.678 0.000) 12.678 6.263 ( -0.000 -11.777 -0.000) 11.777 6.297 ( 0.000 4.656 0.000) 4.656 7.280 ( -0.000 5.168 0.000) 5.168 7.758 ( 0.000 -3.220 0.000) 3.220 7.876 ( -0.000 9.493 0.000) 9.493 8.211 ( -0.000 -5.772 0.000) 5.772 8.663 ( 0.000 20.531 0.000) 20.531 8.986 ( -0.000 16.942 0.000) 16.942 9.671 ( -0.000 -9.299 0.000) 9.299 9.823 ( 0.000 -5.347 0.000) 5.347 10.232 ( -0.000 -3.458 -0.000) 3.458 10.246 ( -0.000 0.415 0.000) 0.415 10.569 ( 0.000 -6.107 0.000) 6.107 10.770 ( -0.000 -5.271 0.000) 5.271 11.224 ( -0.000 5.180 -0.000) 5.180 11.318 ( -0.000 2.105 0.000) 2.105 12.346 ( -0.000 -0.668 0.000) 0.668 14.393 ( -0.000 3.633 0.000) 3.633 14.889 ( -0.000 -2.163 0.000) 2.163 ======================= Grid point 545 (274/275) ======================= q-point: ( 0.44 -0.56 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -7.978 0.000 0.987) 8.039 2.289 ( -14.055 0.000 0.005) 14.055 2.542 ( 0.940 -0.000 0.253) 0.974 2.764 ( -1.572 0.000 0.611) 1.687 3.006 ( 0.475 -0.000 -0.331) 0.579 3.108 ( 2.742 -0.000 -0.732) 2.838 4.017 ( 3.783 -0.000 -1.804) 4.191 4.282 ( 13.788 -0.000 11.393) 17.886 4.315 ( 1.212 -0.000 -4.277) 4.445 4.408 ( -4.081 0.000 4.094) 5.781 4.660 ( -5.863 0.000 -3.959) 7.074 5.481 ( 0.320 -0.000 -1.687) 1.717 5.679 ( 7.412 -0.000 3.779) 8.320 5.935 ( 2.365 -0.000 -1.791) 2.967 5.952 ( -11.391 0.000 0.156) 11.392 6.421 ( -5.552 0.000 -2.073) 5.927 7.427 ( -0.057 0.000 -0.394) 0.398 7.788 ( -5.749 0.000 0.276) 5.756 7.859 ( 9.919 -0.000 7.008) 12.145 8.227 ( -11.346 0.000 -3.934) 12.009 9.053 ( 12.471 -0.000 4.716) 13.333 9.243 ( 3.913 -0.000 5.341) 6.621 9.429 ( -7.868 0.000 -6.967) 10.510 9.664 ( 6.963 -0.000 -1.101) 7.050 10.282 ( -3.877 0.000 2.470) 4.597 10.318 ( -1.530 0.000 -3.117) 3.473 10.385 ( -5.838 0.000 -3.283) 6.698 10.724 ( -5.899 0.000 1.441) 6.073 11.295 ( 0.998 -0.000 5.091) 5.188 11.369 ( -0.455 0.000 -6.552) 6.568 12.297 ( 4.785 -0.000 -0.545) 4.816 14.486 ( -0.211 0.000 -0.358) 0.416 14.816 ( 1.254 -0.000 0.280) 1.285 ======================= Grid point 547 (275/275) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 7.23e-05 7.23e-05 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 0.000 -3.591 0.000) 3.591 2.166 ( 0.000 -0.071 0.000) 0.071 2.546 ( 0.000 0.777 0.000) 0.777 2.743 ( -0.000 1.772 0.000) 1.772 2.859 ( -0.000 17.249 0.000) 17.249 3.289 ( -0.000 -18.280 0.000) 18.280 4.069 ( 0.000 -3.524 0.000) 3.524 4.328 ( 0.000 -1.412 -0.000) 1.412 4.352 ( 0.000 4.032 0.000) 4.032 4.445 ( -0.000 -0.584 -0.000) 0.584 4.610 ( 0.000 -4.748 0.000) 4.748 5.475 ( -0.000 0.688 0.000) 0.688 5.703 ( -0.000 10.467 0.000) 10.467 5.855 ( -0.000 -5.337 0.000) 5.337 6.022 ( -0.000 -10.024 0.000) 10.024 6.362 ( 0.000 1.455 0.000) 1.455 7.402 ( -0.000 4.005 0.000) 4.005 7.733 ( -0.000 0.883 0.000) 0.883 8.018 ( 0.000 3.432 0.000) 3.432 8.076 ( -0.000 -5.353 -0.000) 5.353 9.081 ( 0.000 17.994 0.000) 17.994 9.237 ( -0.000 5.768 0.000) 5.768 9.426 ( -0.000 -13.672 0.000) 13.672 9.735 ( 0.000 -1.990 0.000) 1.990 10.249 ( 0.000 4.692 -0.000) 4.692 10.251 ( -0.000 0.134 0.000) 0.134 10.407 ( -0.000 -8.268 0.000) 8.268 10.684 ( -0.000 -2.305 0.000) 2.305 11.302 ( -0.000 1.911 -0.000) 1.911 11.350 ( -0.000 0.777 0.000) 0.777 12.335 ( 0.000 -0.248 0.000) 0.248 14.470 ( -0.000 2.627 0.000) 2.627 14.838 ( -0.000 -1.934 0.000) 1.934 =================== 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 3/32076 10.0 783.233 913.848 669.616 0.000 -86.237 0.000 3/32076 20.0 218.861 175.181 182.092 0.000 -29.838 0.000 3/32076 30.0 81.565 66.448 74.946 0.000 -10.664 0.000 3/32076 40.0 44.056 36.276 42.818 0.000 -5.576 0.000 3/32076 50.0 28.747 23.804 28.908 0.000 -3.551 0.000 3/32076 60.0 20.860 17.332 21.451 0.000 -2.526 0.000 3/32076 70.0 16.178 13.474 16.895 0.000 -1.924 0.000 3/32076 80.0 13.131 10.957 13.863 0.000 -1.535 0.000 3/32076 90.0 11.015 9.205 11.721 0.000 -1.267 0.000 3/32076 100.0 9.475 7.926 10.138 0.000 -1.073 0.000 3/32076 110.0 8.310 6.956 8.928 0.000 -0.928 0.000 3/32076 120.0 7.402 6.197 7.976 0.000 -0.815 0.000 3/32076 130.0 6.676 5.590 7.210 0.000 -0.726 0.000 3/32076 140.0 6.083 5.093 6.581 0.000 -0.655 0.000 3/32076 150.0 5.590 4.678 6.055 0.000 -0.596 0.000 3/32076 160.0 5.174 4.328 5.610 0.000 -0.547 0.000 3/32076 170.0 4.818 4.028 5.228 0.000 -0.505 0.000 3/32076 180.0 4.509 3.768 4.897 0.000 -0.470 0.000 3/32076 190.0 4.240 3.541 4.607 0.000 -0.439 0.000 3/32076 200.0 4.001 3.340 4.350 0.000 -0.412 0.000 3/32076 210.0 3.790 3.162 4.122 0.000 -0.389 0.000 3/32076 220.0 3.600 3.002 3.917 0.000 -0.368 0.000 3/32076 230.0 3.429 2.858 3.732 0.000 -0.349 0.000 3/32076 240.0 3.274 2.728 3.565 0.000 -0.332 0.000 3/32076 250.0 3.133 2.609 3.412 0.000 -0.317 0.000 3/32076 260.0 3.004 2.500 3.273 0.000 -0.303 0.000 3/32076 270.0 2.886 2.401 3.144 0.000 -0.291 0.000 3/32076 280.0 2.776 2.309 3.026 0.000 -0.279 0.000 3/32076 290.0 2.675 2.224 2.916 0.000 -0.268 0.000 3/32076 300.0 2.581 2.146 2.814 0.000 -0.259 0.000 3/32076 310.0 2.494 2.072 2.720 0.000 -0.249 0.000 3/32076 320.0 2.413 2.004 2.631 0.000 -0.241 0.000 3/32076 330.0 2.337 1.940 2.548 0.000 -0.233 0.000 3/32076 340.0 2.265 1.880 2.471 0.000 -0.226 0.000 3/32076 350.0 2.198 1.824 2.398 0.000 -0.219 0.000 3/32076 360.0 2.135 1.771 2.329 0.000 -0.212 0.000 3/32076 370.0 2.075 1.722 2.265 0.000 -0.206 0.000 3/32076 380.0 2.019 1.675 2.203 0.000 -0.200 0.000 3/32076 390.0 1.966 1.630 2.145 0.000 -0.195 0.000 3/32076 400.0 1.915 1.588 2.090 0.000 -0.190 0.000 3/32076 410.0 1.867 1.548 2.038 0.000 -0.185 0.000 3/32076 420.0 1.822 1.510 1.989 0.000 -0.180 0.000 3/32076 430.0 1.778 1.474 1.941 0.000 -0.176 0.000 3/32076 440.0 1.737 1.439 1.896 0.000 -0.172 0.000 3/32076 450.0 1.697 1.406 1.854 0.000 -0.168 0.000 3/32076 460.0 1.660 1.375 1.813 0.000 -0.164 0.000 3/32076 470.0 1.624 1.345 1.773 0.000 -0.160 0.000 3/32076 480.0 1.589 1.316 1.736 0.000 -0.157 0.000 3/32076 490.0 1.556 1.289 1.700 0.000 -0.154 0.000 3/32076 500.0 1.525 1.263 1.665 0.000 -0.150 0.000 3/32076 510.0 1.494 1.237 1.632 0.000 -0.147 0.000 3/32076 520.0 1.465 1.213 1.600 0.000 -0.145 0.000 3/32076 530.0 1.437 1.190 1.570 0.000 -0.142 0.000 3/32076 540.0 1.410 1.167 1.540 0.000 -0.139 0.000 3/32076 550.0 1.384 1.146 1.512 0.000 -0.136 0.000 3/32076 560.0 1.359 1.125 1.485 0.000 -0.134 0.000 3/32076 570.0 1.335 1.105 1.458 0.000 -0.131 0.000 3/32076 580.0 1.311 1.085 1.433 0.000 -0.129 0.000 3/32076 590.0 1.289 1.067 1.408 0.000 -0.127 0.000 3/32076 600.0 1.267 1.049 1.385 0.000 -0.125 0.000 3/32076 610.0 1.246 1.031 1.362 0.000 -0.123 0.000 3/32076 620.0 1.226 1.014 1.340 0.000 -0.121 0.000 3/32076 630.0 1.206 0.998 1.318 0.000 -0.119 0.000 3/32076 640.0 1.187 0.982 1.297 0.000 -0.117 0.000 3/32076 650.0 1.169 0.967 1.277 0.000 -0.115 0.000 3/32076 660.0 1.151 0.952 1.258 0.000 -0.113 0.000 3/32076 670.0 1.134 0.938 1.239 0.000 -0.111 0.000 3/32076 680.0 1.117 0.924 1.221 0.000 -0.110 0.000 3/32076 690.0 1.100 0.910 1.203 0.000 -0.108 0.000 3/32076 700.0 1.085 0.897 1.185 0.000 -0.107 0.000 3/32076 710.0 1.069 0.884 1.169 0.000 -0.105 0.000 3/32076 720.0 1.054 0.872 1.152 0.000 -0.104 0.000 3/32076 730.0 1.040 0.860 1.136 0.000 -0.102 0.000 3/32076 740.0 1.025 0.848 1.121 0.000 -0.101 0.000 3/32076 750.0 1.012 0.837 1.106 0.000 -0.099 0.000 3/32076 760.0 0.998 0.826 1.091 0.000 -0.098 0.000 3/32076 770.0 0.985 0.815 1.077 0.000 -0.097 0.000 3/32076 780.0 0.973 0.804 1.063 0.000 -0.096 0.000 3/32076 790.0 0.960 0.794 1.050 0.000 -0.094 0.000 3/32076 800.0 0.948 0.784 1.036 0.000 -0.093 0.000 3/32076 810.0 0.936 0.774 1.024 0.000 -0.092 0.000 3/32076 820.0 0.925 0.765 1.011 0.000 -0.091 0.000 3/32076 830.0 0.914 0.755 0.999 0.000 -0.090 0.000 3/32076 840.0 0.903 0.746 0.987 0.000 -0.089 0.000 3/32076 850.0 0.892 0.737 0.975 0.000 -0.088 0.000 3/32076 860.0 0.882 0.729 0.964 0.000 -0.087 0.000 3/32076 870.0 0.871 0.720 0.953 0.000 -0.086 0.000 3/32076 880.0 0.861 0.712 0.942 0.000 -0.085 0.000 3/32076 890.0 0.852 0.704 0.931 0.000 -0.084 0.000 3/32076 900.0 0.842 0.696 0.921 0.000 -0.083 0.000 3/32076 910.0 0.833 0.689 0.911 0.000 -0.082 0.000 3/32076 920.0 0.824 0.681 0.901 0.000 -0.081 0.000 3/32076 930.0 0.815 0.674 0.891 0.000 -0.080 0.000 3/32076 940.0 0.806 0.666 0.881 0.000 -0.079 0.000 3/32076 950.0 0.798 0.659 0.872 0.000 -0.078 0.000 3/32076 960.0 0.789 0.652 0.863 0.000 -0.077 0.000 3/32076 970.0 0.781 0.646 0.854 0.000 -0.077 0.000 3/32076 980.0 0.773 0.639 0.845 0.000 -0.076 0.000 3/32076 990.0 0.765 0.633 0.837 0.000 -0.075 0.000 3/32076 1000.0 0.758 0.626 0.828 0.000 -0.074 0.000 3/32076 Thermal conductivity related properties were written into "kappa-m9912.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:12:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|