----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:24:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.872857060009299 0.000000000000000 0.000000000000000 b 0.000000000000000 5.821929180000000 0.000000000000000 c -0.074751753718201 0.000000000000000 5.166517363968906 Atomic positions (fractional): *1 O 0.26099988743151 0.38304899642962 0.90269949986436 15.999 2 O 0.73900011256849 0.38304899642962 0.59730050013564 15.999 3 O 0.73900011256849 0.61695100357038 0.09730050013564 15.999 4 O 0.26099988743151 0.61695100357038 0.40269949986436 15.999 *5 O 0.21563627287329 0.89839758207358 0.93649990560511 15.999 6 O 0.78436372712671 0.89839758207358 0.56350009439489 15.999 7 O 0.78436372712671 0.10160241792642 0.06350009439489 15.999 8 O 0.21563627287329 0.10160241792642 0.43649990560511 15.999 *9 Nb 0.00000000000000 0.82131550257220 0.25000000000000 92.906 10 Nb 0.00000000000000 0.17868449742780 0.75000000000000 92.906 *11 In 0.50000000000000 0.31910251805893 0.25000000000000 114.818 12 In 0.50000000000000 0.68089748194107 0.75000000000000 114.818 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.872857060009299 0.000000000000000 0.000000000000000 b 0.000000000000000 5.821929180000000 0.000000000000000 c -0.074751753718201 0.000000000000000 5.166517363968906 Atomic positions (fractional): *1 O 0.26099988743151 0.38304899642962 0.90269949986436 15.999 > 1 2 O 0.73900011256849 0.38304899642962 0.59730050013564 15.999 > 2 3 O 0.73900011256849 0.61695100357038 0.09730050013564 15.999 > 3 4 O 0.26099988743151 0.61695100357038 0.40269949986436 15.999 > 4 *5 O 0.21563627287329 0.89839758207358 0.93649990560511 15.999 > 5 6 O 0.78436372712671 0.89839758207358 0.56350009439489 15.999 > 6 7 O 0.78436372712671 0.10160241792642 0.06350009439489 15.999 > 7 8 O 0.21563627287329 0.10160241792642 0.43649990560511 15.999 > 8 *9 Nb 0.00000000000000 0.82131550257220 0.25000000000000 92.906 > 9 10 Nb 0.00000000000000 0.17868449742780 0.75000000000000 92.906 > 10 *11 In 0.50000000000000 0.31910251805893 0.25000000000000 114.818 > 11 12 In 0.50000000000000 0.68089748194107 0.75000000000000 114.818 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.618571180027896 0.000000000000000 0.000000000000000 b 0.000000000000000 11.643858359999999 0.000000000000000 c -0.149503507436402 0.000000000000000 10.333034727937813 Atomic positions (fractional): *1 O 0.08699996247717 0.19152449821481 0.45134974993218 15.999 > 1 2 O 0.42033329581050 0.19152449821481 0.45134974993218 15.999 > 1 3 O 0.75366662914384 0.19152449821481 0.45134974993218 15.999 > 1 4 O 0.08699996247717 0.69152449821481 0.45134974993218 15.999 > 1 5 O 0.42033329581050 0.69152449821481 0.45134974993218 15.999 > 1 6 O 0.75366662914384 0.69152449821481 0.45134974993218 15.999 > 1 7 O 0.08699996247717 0.19152449821481 0.95134974993218 15.999 > 1 8 O 0.42033329581050 0.19152449821481 0.95134974993218 15.999 > 1 9 O 0.75366662914384 0.19152449821481 0.95134974993218 15.999 > 1 10 O 0.08699996247717 0.69152449821481 0.95134974993218 15.999 > 1 11 O 0.42033329581050 0.69152449821481 0.95134974993218 15.999 > 1 12 O 0.75366662914384 0.69152449821481 0.95134974993218 15.999 > 1 13 O 0.24633337085616 0.19152449821481 0.29865025006782 15.999 > 2 14 O 0.57966670418950 0.19152449821481 0.29865025006782 15.999 > 2 15 O 0.91300003752283 0.19152449821481 0.29865025006782 15.999 > 2 16 O 0.24633337085616 0.69152449821481 0.29865025006782 15.999 > 2 17 O 0.57966670418950 0.69152449821481 0.29865025006782 15.999 > 2 18 O 0.91300003752283 0.69152449821481 0.29865025006782 15.999 > 2 19 O 0.24633337085616 0.19152449821481 0.79865025006782 15.999 > 2 20 O 0.57966670418950 0.19152449821481 0.79865025006782 15.999 > 2 21 O 0.91300003752283 0.19152449821481 0.79865025006782 15.999 > 2 22 O 0.24633337085616 0.69152449821481 0.79865025006782 15.999 > 2 23 O 0.57966670418950 0.69152449821481 0.79865025006782 15.999 > 2 24 O 0.91300003752283 0.69152449821481 0.79865025006782 15.999 > 2 25 O 0.24633337085616 0.30847550178519 0.04865025006782 15.999 > 3 26 O 0.57966670418950 0.30847550178519 0.04865025006782 15.999 > 3 27 O 0.91300003752283 0.30847550178519 0.04865025006782 15.999 > 3 28 O 0.24633337085616 0.80847550178519 0.04865025006782 15.999 > 3 29 O 0.57966670418950 0.80847550178519 0.04865025006782 15.999 > 3 30 O 0.91300003752283 0.80847550178519 0.04865025006782 15.999 > 3 31 O 0.24633337085616 0.30847550178519 0.54865025006782 15.999 > 3 32 O 0.57966670418950 0.30847550178519 0.54865025006782 15.999 > 3 33 O 0.91300003752283 0.30847550178519 0.54865025006782 15.999 > 3 34 O 0.24633337085616 0.80847550178519 0.54865025006782 15.999 > 3 35 O 0.57966670418950 0.80847550178519 0.54865025006782 15.999 > 3 36 O 0.91300003752283 0.80847550178519 0.54865025006782 15.999 > 3 37 O 0.08699996247717 0.30847550178519 0.20134974993218 15.999 > 4 38 O 0.42033329581050 0.30847550178519 0.20134974993218 15.999 > 4 39 O 0.75366662914384 0.30847550178519 0.20134974993218 15.999 > 4 40 O 0.08699996247717 0.80847550178519 0.20134974993218 15.999 > 4 41 O 0.42033329581050 0.80847550178519 0.20134974993218 15.999 > 4 42 O 0.75366662914384 0.80847550178519 0.20134974993218 15.999 > 4 43 O 0.08699996247717 0.30847550178519 0.70134974993218 15.999 > 4 44 O 0.42033329581050 0.30847550178519 0.70134974993218 15.999 > 4 45 O 0.75366662914384 0.30847550178519 0.70134974993218 15.999 > 4 46 O 0.08699996247717 0.80847550178519 0.70134974993218 15.999 > 4 47 O 0.42033329581050 0.80847550178519 0.70134974993218 15.999 > 4 48 O 0.75366662914384 0.80847550178519 0.70134974993218 15.999 > 4 *49 O 0.07187875762443 0.44919879103679 0.46824995280255 15.999 > 5 50 O 0.40521209095776 0.44919879103679 0.46824995280255 15.999 > 5 51 O 0.73854542429110 0.44919879103679 0.46824995280255 15.999 > 5 52 O 0.07187875762443 0.94919879103679 0.46824995280255 15.999 > 5 53 O 0.40521209095776 0.94919879103679 0.46824995280255 15.999 > 5 54 O 0.73854542429110 0.94919879103679 0.46824995280255 15.999 > 5 55 O 0.07187875762443 0.44919879103679 0.96824995280255 15.999 > 5 56 O 0.40521209095776 0.44919879103679 0.96824995280255 15.999 > 5 57 O 0.73854542429110 0.44919879103679 0.96824995280255 15.999 > 5 58 O 0.07187875762443 0.94919879103679 0.96824995280255 15.999 > 5 59 O 0.40521209095776 0.94919879103679 0.96824995280255 15.999 > 5 60 O 0.73854542429110 0.94919879103679 0.96824995280255 15.999 > 5 61 O 0.26145457570890 0.44919879103679 0.28175004719745 15.999 > 6 62 O 0.59478790904224 0.44919879103679 0.28175004719745 15.999 > 6 63 O 0.92812124237557 0.44919879103679 0.28175004719745 15.999 > 6 64 O 0.26145457570890 0.94919879103679 0.28175004719745 15.999 > 6 65 O 0.59478790904224 0.94919879103679 0.28175004719745 15.999 > 6 66 O 0.92812124237557 0.94919879103679 0.28175004719745 15.999 > 6 67 O 0.26145457570890 0.44919879103679 0.78175004719745 15.999 > 6 68 O 0.59478790904224 0.44919879103679 0.78175004719745 15.999 > 6 69 O 0.92812124237557 0.44919879103679 0.78175004719745 15.999 > 6 70 O 0.26145457570890 0.94919879103679 0.78175004719745 15.999 > 6 71 O 0.59478790904224 0.94919879103679 0.78175004719745 15.999 > 6 72 O 0.92812124237557 0.94919879103679 0.78175004719745 15.999 > 6 73 O 0.26145457570890 0.05080120896321 0.03175004719745 15.999 > 7 74 O 0.59478790904224 0.05080120896321 0.03175004719745 15.999 > 7 75 O 0.92812124237557 0.05080120896321 0.03175004719745 15.999 > 7 76 O 0.26145457570890 0.55080120896321 0.03175004719745 15.999 > 7 77 O 0.59478790904224 0.55080120896321 0.03175004719745 15.999 > 7 78 O 0.92812124237557 0.55080120896321 0.03175004719745 15.999 > 7 79 O 0.26145457570890 0.05080120896321 0.53175004719745 15.999 > 7 80 O 0.59478790904224 0.05080120896321 0.53175004719745 15.999 > 7 81 O 0.92812124237557 0.05080120896321 0.53175004719745 15.999 > 7 82 O 0.26145457570890 0.55080120896321 0.53175004719745 15.999 > 7 83 O 0.59478790904224 0.55080120896321 0.53175004719745 15.999 > 7 84 O 0.92812124237557 0.55080120896321 0.53175004719745 15.999 > 7 85 O 0.07187875762443 0.05080120896321 0.21824995280255 15.999 > 8 86 O 0.40521209095776 0.05080120896321 0.21824995280255 15.999 > 8 87 O 0.73854542429110 0.05080120896321 0.21824995280255 15.999 > 8 88 O 0.07187875762443 0.55080120896321 0.21824995280255 15.999 > 8 89 O 0.40521209095776 0.55080120896321 0.21824995280255 15.999 > 8 90 O 0.73854542429110 0.55080120896321 0.21824995280255 15.999 > 8 91 O 0.07187875762443 0.05080120896321 0.71824995280255 15.999 > 8 92 O 0.40521209095776 0.05080120896321 0.71824995280255 15.999 > 8 93 O 0.73854542429110 0.05080120896321 0.71824995280255 15.999 > 8 94 O 0.07187875762443 0.55080120896321 0.71824995280255 15.999 > 8 95 O 0.40521209095776 0.55080120896321 0.71824995280255 15.999 > 8 96 O 0.73854542429110 0.55080120896321 0.71824995280255 15.999 > 8 *97 Nb 0.00000000000000 0.41065775128610 0.12500000000000 92.906 > 9 98 Nb 0.33333333333333 0.41065775128610 0.12500000000000 92.906 > 9 99 Nb 0.66666666666667 0.41065775128610 0.12500000000000 92.906 > 9 100 Nb 0.00000000000000 0.91065775128610 0.12500000000000 92.906 > 9 101 Nb 0.33333333333333 0.91065775128610 0.12500000000000 92.906 > 9 102 Nb 0.66666666666667 0.91065775128610 0.12500000000000 92.906 > 9 103 Nb 0.00000000000000 0.41065775128610 0.62500000000000 92.906 > 9 104 Nb 0.33333333333333 0.41065775128610 0.62500000000000 92.906 > 9 105 Nb 0.66666666666667 0.41065775128610 0.62500000000000 92.906 > 9 106 Nb 0.00000000000000 0.91065775128610 0.62500000000000 92.906 > 9 107 Nb 0.33333333333333 0.91065775128610 0.62500000000000 92.906 > 9 108 Nb 0.66666666666667 0.91065775128610 0.62500000000000 92.906 > 9 109 Nb 0.00000000000000 0.08934224871390 0.37500000000000 92.906 > 10 110 Nb 0.33333333333333 0.08934224871390 0.37500000000000 92.906 > 10 111 Nb 0.66666666666667 0.08934224871390 0.37500000000000 92.906 > 10 112 Nb 0.00000000000000 0.58934224871390 0.37500000000000 92.906 > 10 113 Nb 0.33333333333333 0.58934224871390 0.37500000000000 92.906 > 10 114 Nb 0.66666666666667 0.58934224871390 0.37500000000000 92.906 > 10 115 Nb 0.00000000000000 0.08934224871390 0.87500000000000 92.906 > 10 116 Nb 0.33333333333333 0.08934224871390 0.87500000000000 92.906 > 10 117 Nb 0.66666666666667 0.08934224871390 0.87500000000000 92.906 > 10 118 Nb 0.00000000000000 0.58934224871390 0.87500000000000 92.906 > 10 119 Nb 0.33333333333333 0.58934224871390 0.87500000000000 92.906 > 10 120 Nb 0.66666666666667 0.58934224871390 0.87500000000000 92.906 > 10 *121 In 0.16666666666667 0.15955125902947 0.12500000000000 114.818 > 11 122 In 0.50000000000000 0.15955125902947 0.12500000000000 114.818 > 11 123 In 0.83333333333333 0.15955125902947 0.12500000000000 114.818 > 11 124 In 0.16666666666667 0.65955125902947 0.12500000000000 114.818 > 11 125 In 0.50000000000000 0.65955125902947 0.12500000000000 114.818 > 11 126 In 0.83333333333333 0.65955125902947 0.12500000000000 114.818 > 11 127 In 0.16666666666667 0.15955125902947 0.62500000000000 114.818 > 11 128 In 0.50000000000000 0.15955125902947 0.62500000000000 114.818 > 11 129 In 0.83333333333333 0.15955125902947 0.62500000000000 114.818 > 11 130 In 0.16666666666667 0.65955125902947 0.62500000000000 114.818 > 11 131 In 0.50000000000000 0.65955125902947 0.62500000000000 114.818 > 11 132 In 0.83333333333333 0.65955125902947 0.62500000000000 114.818 > 11 133 In 0.16666666666667 0.34044874097053 0.37500000000000 114.818 > 12 134 In 0.50000000000000 0.34044874097053 0.37500000000000 114.818 > 12 135 In 0.83333333333333 0.34044874097053 0.37500000000000 114.818 > 12 136 In 0.16666666666667 0.84044874097053 0.37500000000000 114.818 > 12 137 In 0.50000000000000 0.84044874097053 0.37500000000000 114.818 > 12 138 In 0.83333333333333 0.84044874097053 0.37500000000000 114.818 > 12 139 In 0.16666666666667 0.34044874097053 0.87500000000000 114.818 > 12 140 In 0.50000000000000 0.34044874097053 0.87500000000000 114.818 > 12 141 In 0.83333333333333 0.34044874097053 0.87500000000000 114.818 > 12 142 In 0.16666666666667 0.84044874097053 0.87500000000000 114.818 > 12 143 In 0.50000000000000 0.84044874097053 0.87500000000000 114.818 > 12 144 In 0.83333333333333 0.84044874097053 0.87500000000000 114.818 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4313008 0.0000000 0.0974197 0.0000000 5.2051484 0.0000000 0.0974190 0.0000000 5.7095404 -------------------------- Born effective charges -------------------------- 1 O -2.7531245 -1.2613551 -0.9088174 -1.4181684 -2.6534903 -0.6455367 -1.0183878 -0.5242902 -2.1267160 2 O -2.7531245 1.2613551 -0.9088174 1.4181684 -2.6534903 0.6455367 -1.0183878 0.5242902 -2.1267160 3 O -2.7531245 -1.2613551 -0.9088174 -1.4181684 -2.6534903 -0.6455367 -1.0183878 -0.5242902 -2.1267160 4 O -2.7531245 1.2613551 -0.9088174 1.4181684 -2.6534903 0.6455367 -1.0183878 0.5242902 -2.1267160 5 O -2.2495545 0.4738983 0.7528245 0.4753956 -2.1936234 0.6154914 0.8594828 0.8258831 -3.2974811 6 O -2.2495545 -0.4738983 0.7528245 -0.4753956 -2.1936234 -0.6154914 0.8594828 -0.8258831 -3.2974811 7 O -2.2495545 0.4738983 0.7528245 0.4753956 -2.1936234 0.6154914 0.8594828 0.8258831 -3.2974811 8 O -2.2495545 -0.4738983 0.7528245 -0.4753956 -2.1936234 -0.6154914 0.8594828 -0.8258831 -3.2974811 9 Nb 5.4293309 0.0000000 0.3073778 0.0000000 5.9211244 0.0000000 0.3229650 0.0000000 7.1607398 10 Nb 5.4293309 0.0000000 0.3073778 0.0000000 5.9211244 0.0000000 0.3229650 0.0000000 7.1607398 11 In 4.5760271 0.0000000 0.0046080 0.0000000 3.7731029 0.0000000 -0.0051550 0.0000000 3.6876545 12 In 4.5760271 0.0000000 0.0046080 0.0000000 3.7731029 0.0000000 -0.0051550 0.0000000 3.6876545 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 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: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.049 Solver_block: 100 / 400 - Time: 1.047 Solver_block: 200 / 400 - Time: 1.079 Solver_block: 300 / 400 - Time: 0.858 Solver_block: 400 / 400 - Time: 0.972 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.474 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 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: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:24:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:25:00]------------------------- 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): [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.872857060009299 0.000000000000000 0.000000000000000 b 0.000000000000000 5.821929180000000 0.000000000000000 c -0.074751753718201 0.000000000000000 5.166517363968906 Atomic positions (fractional): 1 O 0.26099988743151 0.38304899642962 0.90269949986436 15.999 2 O 0.73900011256849 0.38304899642962 0.59730050013564 15.999 3 O 0.73900011256849 0.61695100357038 0.09730050013564 15.999 4 O 0.26099988743151 0.61695100357038 0.40269949986436 15.999 5 O 0.21563627287329 0.89839758207358 0.93649990560511 15.999 6 O 0.78436372712671 0.89839758207358 0.56350009439489 15.999 7 O 0.78436372712671 0.10160241792642 0.06350009439489 15.999 8 O 0.21563627287329 0.10160241792642 0.43649990560511 15.999 9 Nb 0.00000000000000 0.82131550257220 0.25000000000000 92.906 10 Nb 0.00000000000000 0.17868449742780 0.75000000000000 92.906 11 In 0.50000000000000 0.31910251805893 0.25000000000000 114.818 12 In 0.50000000000000 0.68089748194107 0.75000000000000 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.618571180027896 0.000000000000000 0.000000000000000 b 0.000000000000000 11.643858359999999 0.000000000000000 c -0.149503507436402 0.000000000000000 10.333034727937813 Atomic positions (fractional): 1 O 0.08699996247717 0.19152449821481 0.45134974993218 15.999 > 1 2 O 0.42033329581050 0.19152449821481 0.45134974993218 15.999 > 1 3 O 0.75366662914384 0.19152449821481 0.45134974993218 15.999 > 1 4 O 0.08699996247717 0.69152449821481 0.45134974993218 15.999 > 1 5 O 0.42033329581050 0.69152449821481 0.45134974993218 15.999 > 1 6 O 0.75366662914384 0.69152449821481 0.45134974993218 15.999 > 1 7 O 0.08699996247717 0.19152449821481 0.95134974993218 15.999 > 1 8 O 0.42033329581050 0.19152449821481 0.95134974993218 15.999 > 1 9 O 0.75366662914384 0.19152449821481 0.95134974993218 15.999 > 1 10 O 0.08699996247717 0.69152449821481 0.95134974993218 15.999 > 1 11 O 0.42033329581050 0.69152449821481 0.95134974993218 15.999 > 1 12 O 0.75366662914384 0.69152449821481 0.95134974993218 15.999 > 1 13 O 0.24633337085616 0.19152449821481 0.29865025006782 15.999 > 13 14 O 0.57966670418950 0.19152449821481 0.29865025006782 15.999 > 13 15 O 0.91300003752283 0.19152449821481 0.29865025006782 15.999 > 13 16 O 0.24633337085616 0.69152449821481 0.29865025006782 15.999 > 13 17 O 0.57966670418950 0.69152449821481 0.29865025006782 15.999 > 13 18 O 0.91300003752283 0.69152449821481 0.29865025006782 15.999 > 13 19 O 0.24633337085616 0.19152449821481 0.79865025006782 15.999 > 13 20 O 0.57966670418950 0.19152449821481 0.79865025006782 15.999 > 13 21 O 0.91300003752283 0.19152449821481 0.79865025006782 15.999 > 13 22 O 0.24633337085616 0.69152449821481 0.79865025006782 15.999 > 13 23 O 0.57966670418950 0.69152449821481 0.79865025006782 15.999 > 13 24 O 0.91300003752283 0.69152449821481 0.79865025006782 15.999 > 13 25 O 0.24633337085616 0.30847550178519 0.04865025006782 15.999 > 25 26 O 0.57966670418950 0.30847550178519 0.04865025006782 15.999 > 25 27 O 0.91300003752283 0.30847550178519 0.04865025006782 15.999 > 25 28 O 0.24633337085616 0.80847550178519 0.04865025006782 15.999 > 25 29 O 0.57966670418950 0.80847550178519 0.04865025006782 15.999 > 25 30 O 0.91300003752283 0.80847550178519 0.04865025006782 15.999 > 25 31 O 0.24633337085616 0.30847550178519 0.54865025006782 15.999 > 25 32 O 0.57966670418950 0.30847550178519 0.54865025006782 15.999 > 25 33 O 0.91300003752283 0.30847550178519 0.54865025006782 15.999 > 25 34 O 0.24633337085616 0.80847550178519 0.54865025006782 15.999 > 25 35 O 0.57966670418950 0.80847550178519 0.54865025006782 15.999 > 25 36 O 0.91300003752283 0.80847550178519 0.54865025006782 15.999 > 25 37 O 0.08699996247717 0.30847550178519 0.20134974993218 15.999 > 37 38 O 0.42033329581050 0.30847550178519 0.20134974993218 15.999 > 37 39 O 0.75366662914384 0.30847550178519 0.20134974993218 15.999 > 37 40 O 0.08699996247717 0.80847550178519 0.20134974993218 15.999 > 37 41 O 0.42033329581050 0.80847550178519 0.20134974993218 15.999 > 37 42 O 0.75366662914384 0.80847550178519 0.20134974993218 15.999 > 37 43 O 0.08699996247717 0.30847550178519 0.70134974993218 15.999 > 37 44 O 0.42033329581050 0.30847550178519 0.70134974993218 15.999 > 37 45 O 0.75366662914384 0.30847550178519 0.70134974993218 15.999 > 37 46 O 0.08699996247717 0.80847550178519 0.70134974993218 15.999 > 37 47 O 0.42033329581050 0.80847550178519 0.70134974993218 15.999 > 37 48 O 0.75366662914384 0.80847550178519 0.70134974993218 15.999 > 37 49 O 0.07187875762443 0.44919879103679 0.46824995280255 15.999 > 49 50 O 0.40521209095776 0.44919879103679 0.46824995280255 15.999 > 49 51 O 0.73854542429110 0.44919879103679 0.46824995280255 15.999 > 49 52 O 0.07187875762443 0.94919879103679 0.46824995280255 15.999 > 49 53 O 0.40521209095776 0.94919879103679 0.46824995280255 15.999 > 49 54 O 0.73854542429110 0.94919879103679 0.46824995280255 15.999 > 49 55 O 0.07187875762443 0.44919879103679 0.96824995280255 15.999 > 49 56 O 0.40521209095776 0.44919879103679 0.96824995280255 15.999 > 49 57 O 0.73854542429110 0.44919879103679 0.96824995280255 15.999 > 49 58 O 0.07187875762443 0.94919879103679 0.96824995280255 15.999 > 49 59 O 0.40521209095776 0.94919879103679 0.96824995280255 15.999 > 49 60 O 0.73854542429110 0.94919879103679 0.96824995280255 15.999 > 49 61 O 0.26145457570890 0.44919879103679 0.28175004719745 15.999 > 61 62 O 0.59478790904224 0.44919879103679 0.28175004719745 15.999 > 61 63 O 0.92812124237557 0.44919879103679 0.28175004719745 15.999 > 61 64 O 0.26145457570890 0.94919879103679 0.28175004719745 15.999 > 61 65 O 0.59478790904224 0.94919879103679 0.28175004719745 15.999 > 61 66 O 0.92812124237557 0.94919879103679 0.28175004719745 15.999 > 61 67 O 0.26145457570890 0.44919879103679 0.78175004719745 15.999 > 61 68 O 0.59478790904224 0.44919879103679 0.78175004719745 15.999 > 61 69 O 0.92812124237557 0.44919879103679 0.78175004719745 15.999 > 61 70 O 0.26145457570890 0.94919879103679 0.78175004719745 15.999 > 61 71 O 0.59478790904224 0.94919879103679 0.78175004719745 15.999 > 61 72 O 0.92812124237557 0.94919879103679 0.78175004719745 15.999 > 61 73 O 0.26145457570890 0.05080120896321 0.03175004719745 15.999 > 73 74 O 0.59478790904224 0.05080120896321 0.03175004719745 15.999 > 73 75 O 0.92812124237557 0.05080120896321 0.03175004719745 15.999 > 73 76 O 0.26145457570890 0.55080120896321 0.03175004719745 15.999 > 73 77 O 0.59478790904224 0.55080120896321 0.03175004719745 15.999 > 73 78 O 0.92812124237557 0.55080120896321 0.03175004719745 15.999 > 73 79 O 0.26145457570890 0.05080120896321 0.53175004719745 15.999 > 73 80 O 0.59478790904224 0.05080120896321 0.53175004719745 15.999 > 73 81 O 0.92812124237557 0.05080120896321 0.53175004719745 15.999 > 73 82 O 0.26145457570890 0.55080120896321 0.53175004719745 15.999 > 73 83 O 0.59478790904224 0.55080120896321 0.53175004719745 15.999 > 73 84 O 0.92812124237557 0.55080120896321 0.53175004719745 15.999 > 73 85 O 0.07187875762443 0.05080120896321 0.21824995280255 15.999 > 85 86 O 0.40521209095776 0.05080120896321 0.21824995280255 15.999 > 85 87 O 0.73854542429110 0.05080120896321 0.21824995280255 15.999 > 85 88 O 0.07187875762443 0.55080120896321 0.21824995280255 15.999 > 85 89 O 0.40521209095776 0.55080120896321 0.21824995280255 15.999 > 85 90 O 0.73854542429110 0.55080120896321 0.21824995280255 15.999 > 85 91 O 0.07187875762443 0.05080120896321 0.71824995280255 15.999 > 85 92 O 0.40521209095776 0.05080120896321 0.71824995280255 15.999 > 85 93 O 0.73854542429110 0.05080120896321 0.71824995280255 15.999 > 85 94 O 0.07187875762443 0.55080120896321 0.71824995280255 15.999 > 85 95 O 0.40521209095776 0.55080120896321 0.71824995280255 15.999 > 85 96 O 0.73854542429110 0.55080120896321 0.71824995280255 15.999 > 85 97 Nb 0.00000000000000 0.41065775128610 0.12500000000000 92.906 > 97 98 Nb 0.33333333333333 0.41065775128610 0.12500000000000 92.906 > 97 99 Nb 0.66666666666667 0.41065775128610 0.12500000000000 92.906 > 97 100 Nb 0.00000000000000 0.91065775128610 0.12500000000000 92.906 > 97 101 Nb 0.33333333333333 0.91065775128610 0.12500000000000 92.906 > 97 102 Nb 0.66666666666667 0.91065775128610 0.12500000000000 92.906 > 97 103 Nb 0.00000000000000 0.41065775128610 0.62500000000000 92.906 > 97 104 Nb 0.33333333333333 0.41065775128610 0.62500000000000 92.906 > 97 105 Nb 0.66666666666667 0.41065775128610 0.62500000000000 92.906 > 97 106 Nb 0.00000000000000 0.91065775128610 0.62500000000000 92.906 > 97 107 Nb 0.33333333333333 0.91065775128610 0.62500000000000 92.906 > 97 108 Nb 0.66666666666667 0.91065775128610 0.62500000000000 92.906 > 97 109 Nb 0.00000000000000 0.08934224871390 0.37500000000000 92.906 > 109 110 Nb 0.33333333333333 0.08934224871390 0.37500000000000 92.906 > 109 111 Nb 0.66666666666667 0.08934224871390 0.37500000000000 92.906 > 109 112 Nb 0.00000000000000 0.58934224871390 0.37500000000000 92.906 > 109 113 Nb 0.33333333333333 0.58934224871390 0.37500000000000 92.906 > 109 114 Nb 0.66666666666667 0.58934224871390 0.37500000000000 92.906 > 109 115 Nb 0.00000000000000 0.08934224871390 0.87500000000000 92.906 > 109 116 Nb 0.33333333333333 0.08934224871390 0.87500000000000 92.906 > 109 117 Nb 0.66666666666667 0.08934224871390 0.87500000000000 92.906 > 109 118 Nb 0.00000000000000 0.58934224871390 0.87500000000000 92.906 > 109 119 Nb 0.33333333333333 0.58934224871390 0.87500000000000 92.906 > 109 120 Nb 0.66666666666667 0.58934224871390 0.87500000000000 92.906 > 109 121 In 0.16666666666667 0.15955125902947 0.12500000000000 114.818 > 121 122 In 0.50000000000000 0.15955125902947 0.12500000000000 114.818 > 121 123 In 0.83333333333333 0.15955125902947 0.12500000000000 114.818 > 121 124 In 0.16666666666667 0.65955125902947 0.12500000000000 114.818 > 121 125 In 0.50000000000000 0.65955125902947 0.12500000000000 114.818 > 121 126 In 0.83333333333333 0.65955125902947 0.12500000000000 114.818 > 121 127 In 0.16666666666667 0.15955125902947 0.62500000000000 114.818 > 121 128 In 0.50000000000000 0.15955125902947 0.62500000000000 114.818 > 121 129 In 0.83333333333333 0.15955125902947 0.62500000000000 114.818 > 121 130 In 0.16666666666667 0.65955125902947 0.62500000000000 114.818 > 121 131 In 0.50000000000000 0.65955125902947 0.62500000000000 114.818 > 121 132 In 0.83333333333333 0.65955125902947 0.62500000000000 114.818 > 121 133 In 0.16666666666667 0.34044874097053 0.37500000000000 114.818 > 133 134 In 0.50000000000000 0.34044874097053 0.37500000000000 114.818 > 133 135 In 0.83333333333333 0.34044874097053 0.37500000000000 114.818 > 133 136 In 0.16666666666667 0.84044874097053 0.37500000000000 114.818 > 133 137 In 0.50000000000000 0.84044874097053 0.37500000000000 114.818 > 133 138 In 0.83333333333333 0.84044874097053 0.37500000000000 114.818 > 133 139 In 0.16666666666667 0.34044874097053 0.87500000000000 114.818 > 133 140 In 0.50000000000000 0.34044874097053 0.87500000000000 114.818 > 133 141 In 0.83333333333333 0.34044874097053 0.87500000000000 114.818 > 133 142 In 0.16666666666667 0.84044874097053 0.87500000000000 114.818 > 133 143 In 0.50000000000000 0.84044874097053 0.87500000000000 114.818 > 133 144 In 0.83333333333333 0.84044874097053 0.87500000000000 114.818 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4313008 0.0000000 0.0974197 0.0000000 5.2051484 0.0000000 0.0974190 0.0000000 5.7095404 -------------------------- Born effective charges -------------------------- 1 O -2.7531245 -1.2613551 -0.9088174 -1.4181684 -2.6534903 -0.6455367 -1.0183878 -0.5242902 -2.1267160 2 O -2.7531245 1.2613551 -0.9088174 1.4181684 -2.6534903 0.6455367 -1.0183878 0.5242902 -2.1267160 3 O -2.7531245 -1.2613551 -0.9088174 -1.4181684 -2.6534903 -0.6455367 -1.0183878 -0.5242902 -2.1267160 4 O -2.7531245 1.2613551 -0.9088174 1.4181684 -2.6534903 0.6455367 -1.0183878 0.5242902 -2.1267160 5 O -2.2495545 0.4738983 0.7528245 0.4753956 -2.1936234 0.6154914 0.8594828 0.8258831 -3.2974811 6 O -2.2495545 -0.4738983 0.7528245 -0.4753956 -2.1936234 -0.6154914 0.8594828 -0.8258831 -3.2974811 7 O -2.2495545 0.4738983 0.7528245 0.4753956 -2.1936234 0.6154914 0.8594828 0.8258831 -3.2974811 8 O -2.2495545 -0.4738983 0.7528245 -0.4753956 -2.1936234 -0.6154914 0.8594828 -0.8258831 -3.2974811 9 Nb 5.4293309 0.0000000 0.3073778 0.0000000 5.9211244 0.0000000 0.3229650 0.0000000 7.1607398 10 Nb 5.4293309 0.0000000 0.3073778 0.0000000 5.9211244 0.0000000 0.3229650 0.0000000 7.1607398 11 In 4.5760271 0.0000000 0.0046080 0.0000000 3.7731029 0.0000000 -0.0051550 0.0000000 3.6876545 12 In 4.5760271 0.0000000 0.0046080 0.0000000 3.7731029 0.0000000 -0.0051550 0.0000000 3.6876545 ---------------------------------------------------------------------------- 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 121, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (xz) 0.00000003 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:25:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:25:26]------------------------- 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): [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.872857060009299 0.000000000000000 0.000000000000000 b 0.000000000000000 5.821929180000000 0.000000000000000 c -0.074751753718201 0.000000000000000 5.166517363968906 Atomic positions (fractional): 1 O 0.26099988743151 0.38304899642962 0.90269949986436 15.999 2 O 0.73900011256849 0.38304899642962 0.59730050013564 15.999 3 O 0.73900011256849 0.61695100357038 0.09730050013564 15.999 4 O 0.26099988743151 0.61695100357038 0.40269949986436 15.999 5 O 0.21563627287329 0.89839758207358 0.93649990560511 15.999 6 O 0.78436372712671 0.89839758207358 0.56350009439489 15.999 7 O 0.78436372712671 0.10160241792642 0.06350009439489 15.999 8 O 0.21563627287329 0.10160241792642 0.43649990560511 15.999 9 Nb 0.00000000000000 0.82131550257220 0.25000000000000 92.906 10 Nb 0.00000000000000 0.17868449742780 0.75000000000000 92.906 11 In 0.50000000000000 0.31910251805893 0.25000000000000 114.818 12 In 0.50000000000000 0.68089748194107 0.75000000000000 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.618571180027896 0.000000000000000 0.000000000000000 b 0.000000000000000 11.643858359999999 0.000000000000000 c -0.149503507436402 0.000000000000000 10.333034727937813 Atomic positions (fractional): 1 O 0.08699996247717 0.19152449821481 0.45134974993218 15.999 > 1 2 O 0.42033329581050 0.19152449821481 0.45134974993218 15.999 > 1 3 O 0.75366662914384 0.19152449821481 0.45134974993218 15.999 > 1 4 O 0.08699996247717 0.69152449821481 0.45134974993218 15.999 > 1 5 O 0.42033329581050 0.69152449821481 0.45134974993218 15.999 > 1 6 O 0.75366662914384 0.69152449821481 0.45134974993218 15.999 > 1 7 O 0.08699996247717 0.19152449821481 0.95134974993218 15.999 > 1 8 O 0.42033329581050 0.19152449821481 0.95134974993218 15.999 > 1 9 O 0.75366662914384 0.19152449821481 0.95134974993218 15.999 > 1 10 O 0.08699996247717 0.69152449821481 0.95134974993218 15.999 > 1 11 O 0.42033329581050 0.69152449821481 0.95134974993218 15.999 > 1 12 O 0.75366662914384 0.69152449821481 0.95134974993218 15.999 > 1 13 O 0.24633337085616 0.19152449821481 0.29865025006782 15.999 > 13 14 O 0.57966670418950 0.19152449821481 0.29865025006782 15.999 > 13 15 O 0.91300003752283 0.19152449821481 0.29865025006782 15.999 > 13 16 O 0.24633337085616 0.69152449821481 0.29865025006782 15.999 > 13 17 O 0.57966670418950 0.69152449821481 0.29865025006782 15.999 > 13 18 O 0.91300003752283 0.69152449821481 0.29865025006782 15.999 > 13 19 O 0.24633337085616 0.19152449821481 0.79865025006782 15.999 > 13 20 O 0.57966670418950 0.19152449821481 0.79865025006782 15.999 > 13 21 O 0.91300003752283 0.19152449821481 0.79865025006782 15.999 > 13 22 O 0.24633337085616 0.69152449821481 0.79865025006782 15.999 > 13 23 O 0.57966670418950 0.69152449821481 0.79865025006782 15.999 > 13 24 O 0.91300003752283 0.69152449821481 0.79865025006782 15.999 > 13 25 O 0.24633337085616 0.30847550178519 0.04865025006782 15.999 > 25 26 O 0.57966670418950 0.30847550178519 0.04865025006782 15.999 > 25 27 O 0.91300003752283 0.30847550178519 0.04865025006782 15.999 > 25 28 O 0.24633337085616 0.80847550178519 0.04865025006782 15.999 > 25 29 O 0.57966670418950 0.80847550178519 0.04865025006782 15.999 > 25 30 O 0.91300003752283 0.80847550178519 0.04865025006782 15.999 > 25 31 O 0.24633337085616 0.30847550178519 0.54865025006782 15.999 > 25 32 O 0.57966670418950 0.30847550178519 0.54865025006782 15.999 > 25 33 O 0.91300003752283 0.30847550178519 0.54865025006782 15.999 > 25 34 O 0.24633337085616 0.80847550178519 0.54865025006782 15.999 > 25 35 O 0.57966670418950 0.80847550178519 0.54865025006782 15.999 > 25 36 O 0.91300003752283 0.80847550178519 0.54865025006782 15.999 > 25 37 O 0.08699996247717 0.30847550178519 0.20134974993218 15.999 > 37 38 O 0.42033329581050 0.30847550178519 0.20134974993218 15.999 > 37 39 O 0.75366662914384 0.30847550178519 0.20134974993218 15.999 > 37 40 O 0.08699996247717 0.80847550178519 0.20134974993218 15.999 > 37 41 O 0.42033329581050 0.80847550178519 0.20134974993218 15.999 > 37 42 O 0.75366662914384 0.80847550178519 0.20134974993218 15.999 > 37 43 O 0.08699996247717 0.30847550178519 0.70134974993218 15.999 > 37 44 O 0.42033329581050 0.30847550178519 0.70134974993218 15.999 > 37 45 O 0.75366662914384 0.30847550178519 0.70134974993218 15.999 > 37 46 O 0.08699996247717 0.80847550178519 0.70134974993218 15.999 > 37 47 O 0.42033329581050 0.80847550178519 0.70134974993218 15.999 > 37 48 O 0.75366662914384 0.80847550178519 0.70134974993218 15.999 > 37 49 O 0.07187875762443 0.44919879103679 0.46824995280255 15.999 > 49 50 O 0.40521209095776 0.44919879103679 0.46824995280255 15.999 > 49 51 O 0.73854542429110 0.44919879103679 0.46824995280255 15.999 > 49 52 O 0.07187875762443 0.94919879103679 0.46824995280255 15.999 > 49 53 O 0.40521209095776 0.94919879103679 0.46824995280255 15.999 > 49 54 O 0.73854542429110 0.94919879103679 0.46824995280255 15.999 > 49 55 O 0.07187875762443 0.44919879103679 0.96824995280255 15.999 > 49 56 O 0.40521209095776 0.44919879103679 0.96824995280255 15.999 > 49 57 O 0.73854542429110 0.44919879103679 0.96824995280255 15.999 > 49 58 O 0.07187875762443 0.94919879103679 0.96824995280255 15.999 > 49 59 O 0.40521209095776 0.94919879103679 0.96824995280255 15.999 > 49 60 O 0.73854542429110 0.94919879103679 0.96824995280255 15.999 > 49 61 O 0.26145457570890 0.44919879103679 0.28175004719745 15.999 > 61 62 O 0.59478790904224 0.44919879103679 0.28175004719745 15.999 > 61 63 O 0.92812124237557 0.44919879103679 0.28175004719745 15.999 > 61 64 O 0.26145457570890 0.94919879103679 0.28175004719745 15.999 > 61 65 O 0.59478790904224 0.94919879103679 0.28175004719745 15.999 > 61 66 O 0.92812124237557 0.94919879103679 0.28175004719745 15.999 > 61 67 O 0.26145457570890 0.44919879103679 0.78175004719745 15.999 > 61 68 O 0.59478790904224 0.44919879103679 0.78175004719745 15.999 > 61 69 O 0.92812124237557 0.44919879103679 0.78175004719745 15.999 > 61 70 O 0.26145457570890 0.94919879103679 0.78175004719745 15.999 > 61 71 O 0.59478790904224 0.94919879103679 0.78175004719745 15.999 > 61 72 O 0.92812124237557 0.94919879103679 0.78175004719745 15.999 > 61 73 O 0.26145457570890 0.05080120896321 0.03175004719745 15.999 > 73 74 O 0.59478790904224 0.05080120896321 0.03175004719745 15.999 > 73 75 O 0.92812124237557 0.05080120896321 0.03175004719745 15.999 > 73 76 O 0.26145457570890 0.55080120896321 0.03175004719745 15.999 > 73 77 O 0.59478790904224 0.55080120896321 0.03175004719745 15.999 > 73 78 O 0.92812124237557 0.55080120896321 0.03175004719745 15.999 > 73 79 O 0.26145457570890 0.05080120896321 0.53175004719745 15.999 > 73 80 O 0.59478790904224 0.05080120896321 0.53175004719745 15.999 > 73 81 O 0.92812124237557 0.05080120896321 0.53175004719745 15.999 > 73 82 O 0.26145457570890 0.55080120896321 0.53175004719745 15.999 > 73 83 O 0.59478790904224 0.55080120896321 0.53175004719745 15.999 > 73 84 O 0.92812124237557 0.55080120896321 0.53175004719745 15.999 > 73 85 O 0.07187875762443 0.05080120896321 0.21824995280255 15.999 > 85 86 O 0.40521209095776 0.05080120896321 0.21824995280255 15.999 > 85 87 O 0.73854542429110 0.05080120896321 0.21824995280255 15.999 > 85 88 O 0.07187875762443 0.55080120896321 0.21824995280255 15.999 > 85 89 O 0.40521209095776 0.55080120896321 0.21824995280255 15.999 > 85 90 O 0.73854542429110 0.55080120896321 0.21824995280255 15.999 > 85 91 O 0.07187875762443 0.05080120896321 0.71824995280255 15.999 > 85 92 O 0.40521209095776 0.05080120896321 0.71824995280255 15.999 > 85 93 O 0.73854542429110 0.05080120896321 0.71824995280255 15.999 > 85 94 O 0.07187875762443 0.55080120896321 0.71824995280255 15.999 > 85 95 O 0.40521209095776 0.55080120896321 0.71824995280255 15.999 > 85 96 O 0.73854542429110 0.55080120896321 0.71824995280255 15.999 > 85 97 Nb 0.00000000000000 0.41065775128610 0.12500000000000 92.906 > 97 98 Nb 0.33333333333333 0.41065775128610 0.12500000000000 92.906 > 97 99 Nb 0.66666666666667 0.41065775128610 0.12500000000000 92.906 > 97 100 Nb 0.00000000000000 0.91065775128610 0.12500000000000 92.906 > 97 101 Nb 0.33333333333333 0.91065775128610 0.12500000000000 92.906 > 97 102 Nb 0.66666666666667 0.91065775128610 0.12500000000000 92.906 > 97 103 Nb 0.00000000000000 0.41065775128610 0.62500000000000 92.906 > 97 104 Nb 0.33333333333333 0.41065775128610 0.62500000000000 92.906 > 97 105 Nb 0.66666666666667 0.41065775128610 0.62500000000000 92.906 > 97 106 Nb 0.00000000000000 0.91065775128610 0.62500000000000 92.906 > 97 107 Nb 0.33333333333333 0.91065775128610 0.62500000000000 92.906 > 97 108 Nb 0.66666666666667 0.91065775128610 0.62500000000000 92.906 > 97 109 Nb 0.00000000000000 0.08934224871390 0.37500000000000 92.906 > 109 110 Nb 0.33333333333333 0.08934224871390 0.37500000000000 92.906 > 109 111 Nb 0.66666666666667 0.08934224871390 0.37500000000000 92.906 > 109 112 Nb 0.00000000000000 0.58934224871390 0.37500000000000 92.906 > 109 113 Nb 0.33333333333333 0.58934224871390 0.37500000000000 92.906 > 109 114 Nb 0.66666666666667 0.58934224871390 0.37500000000000 92.906 > 109 115 Nb 0.00000000000000 0.08934224871390 0.87500000000000 92.906 > 109 116 Nb 0.33333333333333 0.08934224871390 0.87500000000000 92.906 > 109 117 Nb 0.66666666666667 0.08934224871390 0.87500000000000 92.906 > 109 118 Nb 0.00000000000000 0.58934224871390 0.87500000000000 92.906 > 109 119 Nb 0.33333333333333 0.58934224871390 0.87500000000000 92.906 > 109 120 Nb 0.66666666666667 0.58934224871390 0.87500000000000 92.906 > 109 121 In 0.16666666666667 0.15955125902947 0.12500000000000 114.818 > 121 122 In 0.50000000000000 0.15955125902947 0.12500000000000 114.818 > 121 123 In 0.83333333333333 0.15955125902947 0.12500000000000 114.818 > 121 124 In 0.16666666666667 0.65955125902947 0.12500000000000 114.818 > 121 125 In 0.50000000000000 0.65955125902947 0.12500000000000 114.818 > 121 126 In 0.83333333333333 0.65955125902947 0.12500000000000 114.818 > 121 127 In 0.16666666666667 0.15955125902947 0.62500000000000 114.818 > 121 128 In 0.50000000000000 0.15955125902947 0.62500000000000 114.818 > 121 129 In 0.83333333333333 0.15955125902947 0.62500000000000 114.818 > 121 130 In 0.16666666666667 0.65955125902947 0.62500000000000 114.818 > 121 131 In 0.50000000000000 0.65955125902947 0.62500000000000 114.818 > 121 132 In 0.83333333333333 0.65955125902947 0.62500000000000 114.818 > 121 133 In 0.16666666666667 0.34044874097053 0.37500000000000 114.818 > 133 134 In 0.50000000000000 0.34044874097053 0.37500000000000 114.818 > 133 135 In 0.83333333333333 0.34044874097053 0.37500000000000 114.818 > 133 136 In 0.16666666666667 0.84044874097053 0.37500000000000 114.818 > 133 137 In 0.50000000000000 0.84044874097053 0.37500000000000 114.818 > 133 138 In 0.83333333333333 0.84044874097053 0.37500000000000 114.818 > 133 139 In 0.16666666666667 0.34044874097053 0.87500000000000 114.818 > 133 140 In 0.50000000000000 0.34044874097053 0.87500000000000 114.818 > 133 141 In 0.83333333333333 0.34044874097053 0.87500000000000 114.818 > 133 142 In 0.16666666666667 0.84044874097053 0.87500000000000 114.818 > 133 143 In 0.50000000000000 0.84044874097053 0.87500000000000 114.818 > 133 144 In 0.83333333333333 0.84044874097053 0.87500000000000 114.818 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.4313008 0.0000000 0.0974197 0.0000000 5.2051484 0.0000000 0.0974190 0.0000000 5.7095404 -------------------------- Born effective charges -------------------------- 1 O -2.7531245 -1.2613551 -0.9088174 -1.4181684 -2.6534903 -0.6455367 -1.0183878 -0.5242902 -2.1267160 2 O -2.7531245 1.2613551 -0.9088174 1.4181684 -2.6534903 0.6455367 -1.0183878 0.5242902 -2.1267160 3 O -2.7531245 -1.2613551 -0.9088174 -1.4181684 -2.6534903 -0.6455367 -1.0183878 -0.5242902 -2.1267160 4 O -2.7531245 1.2613551 -0.9088174 1.4181684 -2.6534903 0.6455367 -1.0183878 0.5242902 -2.1267160 5 O -2.2495545 0.4738983 0.7528245 0.4753956 -2.1936234 0.6154914 0.8594828 0.8258831 -3.2974811 6 O -2.2495545 -0.4738983 0.7528245 -0.4753956 -2.1936234 -0.6154914 0.8594828 -0.8258831 -3.2974811 7 O -2.2495545 0.4738983 0.7528245 0.4753956 -2.1936234 0.6154914 0.8594828 0.8258831 -3.2974811 8 O -2.2495545 -0.4738983 0.7528245 -0.4753956 -2.1936234 -0.6154914 0.8594828 -0.8258831 -3.2974811 9 Nb 5.4293309 0.0000000 0.3073778 0.0000000 5.9211244 0.0000000 0.3229650 0.0000000 7.1607398 10 Nb 5.4293309 0.0000000 0.3073778 0.0000000 5.9211244 0.0000000 0.3229650 0.0000000 7.1607398 11 In 4.5760271 0.0000000 0.0046080 0.0000000 3.7731029 0.0000000 -0.0051550 0.0000000 3.6876545 12 In 4.5760271 0.0000000 0.0046080 0.0000000 3.7731029 0.0000000 -0.0051550 0.0000000 3.6876545 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 10 9 10 ] 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: 0.79, Number of G-points: 287, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/260) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 260 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 3.447 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 0.000) 0.000 4.256 ( 0.000 0.000 0.000) 0.000 4.326 ( 0.000 0.000 0.000) 0.000 5.267 ( 0.000 0.000 0.000) 0.000 5.557 ( 0.000 0.000 0.000) 0.000 5.679 ( 0.000 0.000 0.000) 0.000 5.701 ( 0.000 0.000 0.000) 0.000 6.310 ( 0.000 0.000 0.000) 0.000 6.968 ( 0.000 0.000 0.000) 0.000 7.851 ( 0.000 0.000 0.000) 0.000 7.857 ( 0.000 0.000 0.000) 0.000 8.242 ( 0.000 0.000 0.000) 0.000 8.427 ( 0.000 0.000 0.000) 0.000 9.143 ( 0.000 0.000 0.000) 0.000 9.601 ( 0.000 0.000 0.000) 0.000 9.893 ( 0.000 0.000 0.000) 0.000 10.052 ( 0.000 0.000 0.000) 0.000 11.385 ( 0.000 0.000 0.000) 0.000 11.869 ( 0.000 0.000 0.000) 0.000 12.760 ( 0.000 0.000 0.000) 0.000 13.600 ( 0.000 0.000 0.000) 0.000 13.632 ( 0.000 0.000 0.000) 0.000 14.588 ( 0.000 0.000 0.000) 0.000 14.700 ( 0.000 0.000 0.000) 0.000 14.976 ( 0.000 0.000 0.000) 0.000 17.157 ( 0.000 0.000 0.000) 0.000 18.194 ( 0.000 0.000 0.000) 0.000 18.503 ( 0.000 0.000 0.000) 0.000 19.135 ( 0.000 0.000 0.000) 0.000 20.050 ( 0.000 0.000 0.000) 0.000 22.125 ( 0.000 0.000 0.000) 0.000 23.552 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/260) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 31.873 0.000 -14.592) 35.055 0.752 ( 35.816 0.000 27.871) 45.382 1.299 ( 62.259 0.000 8.181) 62.794 3.461 ( 0.039 0.000 -0.032) 0.051 3.487 ( 3.632 0.000 4.077) 5.460 4.387 ( 5.710 0.000 2.652) 6.296 4.774 ( 4.537 0.000 23.952) 24.378 5.172 ( -8.670 0.000 11.277) 14.225 5.490 ( -4.188 0.000 5.187) 6.666 5.765 ( 5.959 0.000 -23.647) 24.386 6.063 ( -4.221 0.000 20.867) 21.289 6.922 ( -4.352 0.000 0.311) 4.363 7.542 ( 4.896 0.000 -92.472) 92.601 7.822 ( -2.606 0.000 -5.751) 6.314 7.939 ( 1.711 0.000 66.493) 66.515 8.116 ( -11.176 0.000 8.741) 14.188 8.399 ( -3.491 0.000 -12.030) 12.526 9.111 ( -2.838 0.000 7.879) 8.374 9.609 ( 0.607 0.000 -0.381) 0.716 9.984 ( -7.303 0.000 11.028) 13.227 10.096 ( -10.921 0.000 44.989) 46.296 11.463 ( 6.437 0.000 11.367) 13.063 11.929 ( 5.493 0.000 0.384) 5.506 12.739 ( -1.862 0.000 0.199) 1.873 13.606 ( -2.984 0.000 6.119) 6.808 13.609 ( 1.088 0.000 -5.704) 5.806 14.624 ( 3.870 0.000 -6.732) 7.765 14.921 ( -5.706 0.000 5.969) 8.258 15.283 ( 9.765 0.000 -83.221) 83.792 17.020 ( -10.445 0.000 1.767) 10.594 18.685 ( 15.076 0.000 -2.328) 15.255 19.066 ( -6.797 0.000 3.257) 7.537 19.855 ( -17.604 0.000 -9.469) 19.989 22.207 ( 6.948 0.000 5.376) 8.785 23.393 ( -9.993 0.000 15.139) 18.140 23.799 ( 7.470 0.000 44.759) 45.378 ======================= Grid point 2 (3/260) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 30.474 0.000 -13.047) 33.150 1.477 ( 33.894 0.000 24.984) 42.107 2.541 ( 58.147 0.000 6.962) 58.562 3.472 ( 1.060 0.000 0.497) 1.170 3.581 ( 4.804 0.000 5.548) 7.339 4.533 ( 6.718 0.000 9.400) 11.554 4.906 ( 7.464 0.000 6.983) 10.221 4.968 ( -9.776 0.000 12.351) 15.752 5.420 ( -2.182 0.000 -4.520) 5.019 5.866 ( 4.280 0.000 -24.407) 24.779 5.943 ( -7.859 0.000 14.267) 16.289 6.800 ( -7.304 0.000 3.034) 7.909 7.600 ( 1.434 0.000 -39.330) 39.356 7.744 ( -4.747 0.000 -15.236) 15.958 7.832 ( -15.994 0.000 11.410) 19.647 8.044 ( 7.494 0.000 35.810) 36.586 8.254 ( -10.343 0.000 -13.212) 16.779 9.060 ( -1.546 0.000 9.383) 9.510 9.619 ( 0.237 0.000 0.241) 0.338 9.731 ( -15.904 0.000 6.321) 17.114 9.898 ( -9.221 0.000 7.588) 11.941 11.611 ( 6.864 0.000 11.794) 13.646 12.064 ( 6.520 0.000 2.833) 7.109 12.700 ( -1.088 0.000 -2.384) 2.620 13.506 ( -6.854 0.000 9.332) 11.578 13.643 ( 2.470 0.000 -8.587) 8.935 14.735 ( -12.582 0.000 7.707) 14.755 14.739 ( 6.887 0.000 -8.124) 10.651 15.544 ( 17.498 0.000 -40.173) 43.818 16.849 ( -4.524 0.000 5.967) 7.488 18.858 ( -13.495 0.000 5.879) 14.720 18.991 ( 9.568 0.000 1.763) 9.729 19.409 ( -20.566 0.000 -20.997) 29.391 22.368 ( 7.661 0.000 7.656) 10.831 23.196 ( -9.246 0.000 4.966) 10.495 23.952 ( 6.343 0.000 21.694) 22.602 ======================= Grid point 3 (4/260) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 27.974 0.000 -10.798) 29.986 2.146 ( 30.267 0.000 20.189) 36.382 3.490 ( 0.662 0.000 -0.831) 1.062 3.651 ( 0.700 0.000 4.610) 4.663 3.670 ( 50.363 0.000 6.569) 50.790 4.547 ( -6.264 0.000 17.914) 18.977 4.896 ( 2.865 0.000 5.132) 5.877 5.068 ( 7.923 0.000 -2.266) 8.241 5.430 ( 4.138 0.000 -8.743) 9.673 5.759 ( -10.060 0.000 12.956) 16.403 5.923 ( 1.985 0.000 -21.727) 21.818 6.631 ( -9.188 0.000 6.699) 11.371 7.497 ( -16.153 0.000 13.440) 21.013 7.563 ( -4.142 0.000 -6.685) 7.864 7.614 ( -7.174 0.000 -25.717) 26.699 7.983 ( -14.921 0.000 -10.528) 18.261 8.261 ( 11.944 0.000 18.831) 22.299 9.073 ( 2.620 0.000 6.077) 6.618 9.418 ( -13.101 0.000 -11.219) 17.248 9.613 ( -0.893 0.000 0.722) 1.148 9.700 ( -10.353 0.000 11.411) 15.408 11.736 ( 4.929 0.000 8.052) 9.441 12.139 ( -0.242 0.000 6.459) 6.464 12.742 ( 6.095 0.000 -7.125) 9.377 13.351 ( -7.841 0.000 7.362) 10.755 13.703 ( 3.402 0.000 -7.649) 8.371 14.431 ( -16.353 0.000 5.941) 17.399 14.869 ( 5.473 0.000 -6.890) 8.799 15.970 ( 24.295 0.000 -23.362) 33.705 16.867 ( 6.066 0.000 12.265) 13.683 18.522 ( -19.181 0.000 7.396) 20.557 18.676 ( -29.444 0.000 -10.471) 31.250 19.412 ( 11.115 0.000 -12.429) 16.674 22.504 ( 5.179 0.000 7.147) 8.826 23.027 ( -7.020 0.000 1.185) 7.119 24.069 ( 4.512 0.000 12.793) 13.565 ======================= Grid point 4 (5/260) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 21.921 0.000 -7.718) 23.240 2.711 ( 23.532 0.000 13.401) 27.081 3.447 ( -5.059 0.000 -1.150) 5.189 3.576 ( -7.883 0.000 4.135) 8.901 4.433 ( -3.379 0.000 10.896) 11.408 4.597 ( 38.420 0.000 2.310) 38.490 4.961 ( 2.132 0.000 2.416) 3.222 5.211 ( 5.444 0.000 -8.992) 10.511 5.550 ( -10.669 0.000 12.992) 16.812 5.571 ( 8.052 0.000 -4.245) 9.103 5.942 ( 0.644 0.000 -14.987) 15.001 6.439 ( -9.102 0.000 7.706) 11.926 7.215 ( -10.689 0.000 11.058) 15.380 7.407 ( -8.911 0.000 -9.985) 13.383 7.500 ( -3.402 0.000 -8.273) 8.945 7.684 ( -12.359 0.000 -6.418) 13.926 8.494 ( 8.969 0.000 12.610) 15.474 9.154 ( 4.278 0.000 2.458) 4.934 9.237 ( -3.060 0.000 -23.832) 24.028 9.484 ( -10.839 0.000 17.525) 20.606 9.584 ( -1.727 0.000 0.600) 1.828 11.816 ( 2.587 0.000 3.848) 4.636 12.086 ( -3.613 0.000 4.652) 5.891 12.915 ( 9.117 0.000 -6.495) 11.194 13.213 ( -5.171 0.000 3.906) 6.480 13.769 ( 2.897 0.000 -3.504) 4.547 14.113 ( -13.543 0.000 3.191) 13.914 14.951 ( 2.649 0.000 -3.987) 4.786 16.477 ( 23.721 0.000 -13.180) 27.137 17.095 ( 15.451 0.000 17.146) 23.081 18.057 ( -29.042 0.000 -16.926) 33.614 18.105 ( -20.132 0.000 7.082) 21.341 19.599 ( 6.620 0.000 -5.896) 8.865 22.583 ( 2.373 0.000 4.331) 4.938 22.916 ( -3.757 0.000 0.015) 3.757 24.143 ( 2.352 0.000 6.203) 6.634 ======================= Grid point 5 (6/260) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( -0.000 0.000 0.000) 0.000 3.023 ( 0.000 0.000 0.000) 0.000 3.333 ( 0.000 0.000 -0.000) 0.000 3.447 ( 0.000 0.000 -0.000) 0.000 4.407 ( 0.000 0.000 -0.000) 0.000 4.982 ( 0.000 0.000 0.000) 0.000 5.172 ( -0.000 0.000 -0.000) 0.000 5.190 ( 0.000 0.000 0.000) 0.000 5.374 ( 0.000 0.000 -0.000) 0.000 5.669 ( 0.000 0.000 -0.000) 0.000 5.946 ( 0.000 0.000 0.000) 0.000 6.325 ( 0.000 0.000 0.000) 0.000 7.102 ( 0.000 0.000 -0.000) 0.000 7.297 ( 0.000 0.000 0.000) 0.000 7.461 ( 0.000 0.000 -0.000) 0.000 7.542 ( 0.000 0.000 0.000) 0.000 8.592 ( 0.000 0.000 -0.000) 0.000 9.208 ( 0.000 0.000 0.000) 0.000 9.288 ( -0.000 0.000 0.000) 0.000 9.289 ( 0.000 0.000 -0.000) 0.000 9.561 ( 0.000 0.000 0.000) 0.000 11.843 ( 0.000 0.000 -0.000) 0.000 12.043 ( 0.000 0.000 0.000) 0.000 13.027 ( 0.000 0.000 0.000) 0.000 13.158 ( 0.000 0.000 -0.000) 0.000 13.807 ( 0.000 0.000 0.000) 0.000 13.949 ( 0.000 0.000 -0.000) 0.000 14.977 ( 0.000 0.000 0.000) 0.000 16.777 ( 0.000 0.000 -0.000) 0.000 17.469 ( 0.000 0.000 -0.000) 0.000 17.541 ( 0.000 0.000 0.000) 0.000 17.843 ( 0.000 0.000 0.000) 0.000 19.667 ( 0.000 0.000 -0.000) 0.000 22.607 ( 0.000 0.000 0.000) 0.000 22.877 ( 0.000 0.000 -0.000) 0.000 24.168 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/260) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 0.000 27.340 0.000) 27.340 0.661 ( 0.000 34.217 0.000) 34.217 1.176 ( 0.000 60.623 0.000) 60.623 3.419 ( 0.000 -2.940 0.000) 2.940 3.589 ( 0.000 12.769 0.000) 12.769 3.994 ( 0.000 -14.242 0.000) 14.242 4.590 ( 0.000 12.941 0.000) 12.941 5.238 ( 0.000 -1.767 0.000) 1.767 5.398 ( 0.000 -8.241 0.000) 8.241 5.891 ( 0.000 12.511 0.000) 12.511 5.966 ( 0.000 -8.082 0.000) 8.082 6.447 ( 0.000 12.891 0.000) 12.891 6.929 ( 0.000 -4.409 0.000) 4.409 7.813 ( 0.000 -4.507 0.000) 4.507 7.833 ( 0.000 -1.656 0.000) 1.656 8.275 ( 0.000 3.146 0.000) 3.146 8.774 ( 0.000 -7.717 0.000) 7.717 9.554 ( 0.000 -4.660 0.000) 4.660 9.887 ( 0.000 -2.423 0.000) 2.423 9.984 ( 0.000 9.474 0.000) 9.474 10.203 ( 0.000 10.103 0.000) 10.103 11.368 ( 0.000 -1.769 0.000) 1.769 11.817 ( 0.000 -5.105 0.000) 5.105 13.531 ( 0.000 -5.852 0.000) 5.852 13.586 ( 0.000 2.666 0.000) 2.666 13.590 ( 0.000 -5.779 0.000) 5.779 14.610 ( 0.000 2.221 0.000) 2.221 14.727 ( 0.000 2.937 0.000) 2.937 16.677 ( 0.000 -5.961 0.000) 5.961 18.130 ( 0.000 -5.502 0.000) 5.502 18.575 ( 0.000 6.297 0.000) 6.297 19.181 ( 0.000 4.522 0.000) 4.522 20.007 ( 0.000 -4.319 0.000) 4.319 20.131 ( 0.000 -0.979 0.000) 0.979 23.365 ( 0.000 -3.531 0.000) 3.531 23.595 ( 0.000 3.485 0.000) 3.485 ======================= Grid point 12 (8/260) ======================= q-point: ( 0.10 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 17.427 15.659 5.486) 24.062 0.961 ( 28.638 17.276 29.361) 44.505 1.807 ( 45.271 40.157 -8.062) 61.049 3.459 ( 3.502 -2.968 4.130) 6.175 3.574 ( -1.020 11.527 -0.035) 11.572 4.120 ( 8.320 -17.593 3.850) 19.838 4.914 ( 13.374 10.824 12.515) 21.275 5.248 ( -4.089 2.889 2.738) 5.706 5.411 ( -1.260 -10.191 2.701) 10.618 5.688 ( -0.326 -1.044 -5.499) 5.607 6.146 ( -0.979 3.650 7.012) 7.965 6.776 ( 22.463 -20.887 -17.598) 35.362 6.899 ( 0.494 -4.924 -2.313) 5.463 7.774 ( -4.229 -5.024 5.636) 8.654 7.839 ( 0.626 -2.841 0.969) 3.067 8.191 ( -7.339 6.074 3.815) 10.262 8.643 ( -11.341 -3.513 0.678) 11.892 9.431 ( -12.634 10.241 -12.172) 20.313 9.633 ( -3.306 5.503 -10.796) 12.561 10.064 ( -6.852 -0.251 30.226) 30.994 10.152 ( -3.888 13.643 7.688) 16.136 11.412 ( 4.863 -2.543 5.966) 8.107 11.909 ( 7.868 -3.963 -4.633) 9.953 13.179 ( -22.513 20.586 21.944) 37.578 13.552 ( -3.253 -5.132 -2.456) 6.554 13.569 ( 2.071 -4.171 -0.881) 4.739 14.605 ( 3.076 0.922 -1.281) 3.458 15.043 ( 17.500 5.559 -10.514) 21.159 15.763 ( -47.559 32.458 -49.874) 76.177 17.144 ( -20.604 12.932 -3.352) 24.557 18.668 ( 10.967 -1.022 -1.060) 11.066 19.115 ( -5.635 4.249 1.195) 7.157 19.829 ( -15.926 -2.539 -7.855) 17.938 21.612 ( 45.309 -43.420 22.304) 66.601 23.340 ( -4.797 -3.689 11.711) 13.182 23.695 ( 8.130 -3.393 15.118) 17.498 ======================= Grid point 13 (9/260) ======================= q-point: ( 0.20 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 28.560 -3.565 -5.178) 29.243 1.608 ( 31.867 9.252 27.192) 42.901 2.788 ( 48.099 21.407 -3.043) 52.736 3.533 ( 1.249 1.280 1.575) 2.383 3.574 ( 2.999 4.575 5.064) 7.455 4.330 ( 11.704 -14.619 5.429) 19.498 5.056 ( -11.665 8.663 11.227) 18.362 5.093 ( 4.858 12.815 4.531) 14.435 5.371 ( 0.198 -4.818 -0.419) 4.841 5.783 ( 5.530 -7.068 -19.590) 21.548 6.034 ( -8.681 6.685 7.326) 13.180 6.760 ( -6.928 -4.613 3.832) 9.163 7.241 ( 14.446 -22.843 -20.146) 33.710 7.648 ( -7.413 -8.711 -1.240) 11.505 7.834 ( -2.152 -2.895 4.183) 5.523 8.035 ( -6.463 10.406 11.842) 17.037 8.379 ( -12.896 -0.966 0.490) 12.941 9.242 ( -5.102 12.455 -4.810) 14.293 9.592 ( -2.629 -0.622 -4.329) 5.103 9.793 ( -16.641 3.881 7.246) 18.560 10.084 ( -3.384 17.588 8.061) 19.641 11.536 ( 5.764 -4.690 8.684) 11.430 12.102 ( 10.302 -0.032 -2.802) 10.676 12.861 ( -10.219 13.136 9.967) 19.399 13.435 ( -6.906 -5.057 2.726) 8.983 13.644 ( 4.196 -1.455 -3.983) 5.966 14.661 ( -1.854 -1.711 -1.491) 2.931 14.961 ( -14.587 15.879 -0.250) 21.564 15.615 ( 20.543 7.331 -37.865) 43.698 16.887 ( -6.486 3.872 6.193) 9.767 18.704 ( -13.433 -9.459 1.129) 16.469 19.122 ( 9.965 5.262 -2.049) 11.454 19.418 ( -21.751 2.647 -12.914) 25.434 22.150 ( 14.760 -20.757 11.794) 28.068 23.215 ( -6.501 1.608 4.535) 8.089 23.854 ( 6.389 -7.996 15.765) 18.796 ======================= Grid point 14 (10/260) ======================= q-point: ( 0.30 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 27.422 -8.880 -6.188) 29.481 2.249 ( 29.277 6.426 20.600) 36.370 3.489 ( 1.174 -0.297 -2.800) 3.051 3.561 ( 4.465 -4.603 2.342) 6.827 3.835 ( 35.623 11.562 6.512) 38.014 4.549 ( 6.455 -3.926 14.220) 16.103 4.873 ( -2.383 3.703 1.859) 4.780 5.152 ( 1.406 6.958 -2.916) 7.675 5.450 ( 6.731 1.523 -2.012) 7.189 5.804 ( -9.944 -1.439 -5.711) 11.557 5.879 ( 1.062 0.835 -5.824) 5.978 6.595 ( -9.109 -3.849 6.633) 11.908 7.306 ( -6.789 -9.567 0.720) 11.753 7.540 ( -3.481 -8.623 -19.721) 21.804 7.733 ( -6.795 6.105 2.282) 9.416 7.909 ( -9.771 -0.831 -1.314) 9.894 8.238 ( 3.097 -1.716 16.769) 17.139 9.201 ( 0.648 9.475 -0.749) 9.527 9.437 ( -15.009 -1.785 -1.677) 15.208 9.521 ( -6.106 3.132 -7.194) 9.942 10.025 ( -2.497 22.576 8.315) 24.188 11.627 ( 2.638 -6.969 6.800) 10.088 12.288 ( 6.398 8.603 2.497) 11.008 12.745 ( -0.701 0.971 0.069) 1.199 13.289 ( -6.970 -3.915 3.156) 8.595 13.727 ( 3.807 0.843 -5.309) 6.587 14.397 ( -17.615 -2.253 3.184) 18.042 14.917 ( 3.887 4.415 -4.098) 7.169 16.068 ( 22.488 9.701 -22.701) 33.394 16.893 ( 7.357 2.773 12.364) 14.653 18.266 ( -25.979 -15.504 -3.234) 30.426 18.934 ( -22.961 15.277 -3.475) 27.797 19.387 ( 11.487 -2.134 -9.109) 14.814 22.352 ( 5.765 -14.064 8.081) 17.215 23.104 ( -4.009 6.412 1.219) 7.659 23.964 ( 4.024 -9.994 10.907) 15.330 ======================= Grid point 15 (11/260) ======================= q-point: ( 0.40 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 21.364 -11.464 -4.888) 24.733 2.799 ( 23.218 5.054 13.674) 27.415 3.394 ( -7.930 -3.860 -0.985) 8.874 3.515 ( -6.762 -6.033 1.414) 9.171 4.509 ( 10.120 3.305 10.520) 14.967 4.643 ( 19.381 4.388 6.249) 20.831 4.992 ( 9.364 1.711 -3.361) 10.095 5.182 ( 1.824 1.922 -8.143) 8.563 5.559 ( -10.777 0.499 10.454) 15.022 5.594 ( 4.869 0.205 -7.876) 9.261 5.918 ( 1.863 -0.729 -8.856) 9.079 6.409 ( -8.384 -3.133 6.638) 11.143 7.141 ( -7.005 -3.796 6.956) 10.577 7.401 ( -8.502 -2.459 -13.435) 16.088 7.606 ( -4.960 8.115 2.796) 9.913 7.678 ( -9.639 0.439 -7.836) 12.430 8.434 ( 11.709 -4.461 14.713) 19.326 9.150 ( -11.674 -6.005 -8.175) 15.466 9.242 ( 2.101 5.665 -0.504) 6.063 9.408 ( -4.467 4.868 -2.783) 7.169 9.987 ( -1.431 25.999 5.270) 26.566 11.649 ( -0.244 -9.539 3.774) 10.262 12.348 ( 0.541 18.676 4.202) 19.150 12.819 ( 5.610 -9.971 -4.268) 12.212 13.176 ( -3.451 -2.201 1.367) 4.315 13.791 ( 2.496 1.310 -3.306) 4.345 14.068 ( -13.328 -3.453 3.118) 14.117 14.988 ( 2.602 3.357 -2.373) 4.866 16.486 ( 18.554 0.770 -10.324) 21.247 17.167 ( 15.172 6.483 13.853) 21.543 17.746 ( -20.430 -14.402 -8.949) 26.549 18.449 ( -23.764 18.652 -2.094) 30.282 19.573 ( 6.386 -2.739 -4.738) 8.410 22.419 ( 1.221 -13.155 4.116) 13.838 23.054 ( -1.161 10.503 0.320) 10.572 24.028 ( 1.950 -11.495 5.568) 12.920 ======================= Grid point 16 (12/260) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -0.000 -13.056 0.000) 13.056 3.136 ( 0.000 8.307 0.000) 8.307 3.240 ( 0.000 -6.314 -0.000) 6.314 3.382 ( 0.000 -8.163 0.000) 8.163 4.536 ( 0.000 9.561 -0.000) 9.561 4.961 ( 0.000 -2.949 0.000) 2.949 5.166 ( -0.000 -1.613 -0.000) 1.613 5.170 ( 0.000 -1.676 0.000) 1.676 5.393 ( 0.000 3.721 -0.000) 3.721 5.655 ( 0.000 -0.461 -0.000) 0.461 5.939 ( 0.000 -0.133 -0.000) 0.133 6.309 ( 0.000 -1.827 0.000) 1.827 7.067 ( 0.000 -1.275 0.000) 1.275 7.287 ( 0.000 -1.620 -0.000) 1.620 7.552 ( 0.000 6.761 -0.000) 6.761 7.572 ( 0.000 3.798 0.000) 3.798 8.597 ( 0.000 0.625 -0.000) 0.625 8.997 ( 0.000 -15.808 -0.000) 15.808 9.264 ( 0.000 5.212 0.000) 5.212 9.362 ( 0.000 7.436 0.000) 7.436 9.972 ( 0.000 27.392 -0.000) 27.392 11.642 ( 0.000 -10.670 -0.000) 10.670 12.352 ( 0.000 21.521 0.000) 21.521 12.882 ( 0.000 -13.364 -0.000) 13.364 13.151 ( 0.000 -1.229 -0.000) 1.229 13.821 ( 0.000 0.776 -0.000) 0.776 13.913 ( 0.000 -2.774 0.000) 2.774 15.015 ( 0.000 3.418 -0.000) 3.418 16.746 ( 0.000 -2.542 0.000) 2.542 17.222 ( 0.000 -17.838 -0.000) 17.838 17.683 ( -0.000 13.886 -0.000) 13.886 18.087 ( 0.000 17.601 -0.000) 17.601 19.638 ( 0.000 -3.053 0.000) 3.053 22.429 ( 0.000 -13.245 0.000) 13.245 23.044 ( 0.000 12.101 0.000) 12.101 24.049 ( 0.000 -12.091 -0.000) 12.091 ======================= Grid point 22 (13/260) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 0.000 25.315 0.000) 25.315 1.297 ( 0.000 32.190 0.000) 32.190 2.295 ( 0.000 56.162 0.000) 56.162 3.334 ( 0.000 -5.902 0.000) 5.902 3.738 ( 0.000 -12.962 0.000) 12.962 3.921 ( 0.000 21.118 0.000) 21.118 4.688 ( 0.000 -3.147 0.000) 3.147 5.239 ( 0.000 -1.149 0.000) 1.149 5.380 ( 0.000 10.363 0.000) 10.363 5.738 ( 0.000 -15.733 0.000) 15.733 6.119 ( 0.000 10.795 0.000) 10.795 6.738 ( 0.000 16.171 0.000) 16.171 6.788 ( 0.000 -10.585 0.000) 10.585 7.694 ( 0.000 -7.604 0.000) 7.604 7.802 ( 0.000 -1.126 0.000) 1.126 8.348 ( 0.000 4.266 0.000) 4.266 8.576 ( 0.000 -12.185 0.000) 12.185 9.434 ( 0.000 -7.616 0.000) 7.616 9.907 ( 0.000 4.247 0.000) 4.247 10.250 ( 0.000 18.189 0.000) 18.189 10.383 ( 0.000 8.207 0.000) 8.207 11.318 ( 0.000 -3.460 0.000) 3.460 11.693 ( 0.000 -7.350 0.000) 7.350 13.385 ( 0.000 -12.620 0.000) 12.620 13.409 ( 0.000 -9.309 0.000) 9.309 13.658 ( 0.000 4.670 0.000) 4.670 14.665 ( 0.000 3.241 0.000) 3.241 14.810 ( 0.000 5.360 0.000) 5.360 16.528 ( 0.000 -8.988 0.000) 8.988 18.018 ( 0.000 -5.810 0.000) 5.810 18.710 ( 0.000 7.362 0.000) 7.362 19.292 ( 0.000 6.644 0.000) 6.644 19.894 ( 0.000 -7.156 0.000) 7.156 20.105 ( 0.000 -1.697 0.000) 1.697 23.298 ( 0.000 -3.303 0.000) 3.303 23.662 ( 0.000 3.232 0.000) 3.232 ======================= Grid point 23 (14/260) ======================= q-point: ( 0.10 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 4.616 25.852 10.714) 28.362 1.382 ( 13.618 26.292 18.056) 34.680 2.614 ( 26.510 42.260 -11.777) 51.258 3.375 ( 3.673 -5.537 4.636) 8.102 3.789 ( 2.641 -6.483 -3.498) 7.826 3.926 ( 2.888 13.511 3.014) 14.142 4.967 ( 19.358 -9.244 7.257) 22.646 5.266 ( 1.606 -0.619 -2.691) 3.194 5.360 ( -1.829 11.015 1.071) 11.217 5.623 ( -6.939 -9.808 -3.389) 12.484 6.178 ( 2.385 3.096 0.146) 3.911 6.704 ( -2.332 -1.042 -4.971) 5.589 6.828 ( 4.204 2.371 2.741) 5.550 7.659 ( -5.267 -6.384 12.373) 14.885 7.787 ( 0.206 -2.836 -8.027) 8.516 8.319 ( -3.006 6.505 6.655) 9.779 8.485 ( -8.095 -10.255 -0.986) 13.102 9.418 ( -1.974 -5.856 0.027) 6.180 9.799 ( -7.666 8.570 -8.699) 14.418 10.163 ( -9.041 11.029 3.671) 14.726 10.394 ( 0.743 10.931 2.665) 11.276 11.375 ( 5.055 -1.435 5.756) 7.794 11.799 ( 9.500 -6.832 -6.219) 13.252 13.299 ( -10.918 -7.687 12.317) 18.166 13.445 ( 3.575 -6.795 1.241) 7.778 13.510 ( -7.813 2.330 2.484) 8.523 14.647 ( 1.014 2.862 2.075) 3.677 15.163 ( 26.458 7.300 -16.193) 31.867 16.090 ( -38.047 4.602 -16.842) 41.862 17.418 ( -32.230 12.376 -12.146) 36.599 18.674 ( 3.370 1.907 1.777) 4.261 19.184 ( -9.455 1.901 -6.657) 11.719 19.779 ( -9.391 -1.957 -0.815) 9.627 20.958 ( 47.908 -24.488 21.526) 57.950 23.282 ( -1.607 -2.471 6.411) 7.056 23.680 ( 1.580 0.602 3.920) 4.270 ======================= Grid point 24 (15/260) ======================= q-point: ( 0.20 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 15.032 17.046 4.661) 23.200 1.815 ( 24.972 12.630 23.835) 36.759 3.190 ( 25.049 16.956 -10.396) 31.985 3.480 ( 6.937 -2.012 4.559) 8.542 3.771 ( -1.740 7.213 0.479) 7.435 4.127 ( 15.040 -0.698 2.663) 15.290 5.168 ( -8.109 -0.374 13.217) 15.511 5.253 ( 3.883 -5.393 -6.790) 9.501 5.351 ( 3.236 12.688 1.780) 13.215 5.624 ( 5.993 -8.399 -16.137) 19.153 6.131 ( -6.855 2.765 5.024) 8.937 6.635 ( -4.926 -6.877 2.571) 8.841 6.996 ( 11.506 -3.293 -5.797) 13.298 7.495 ( -9.509 -6.673 7.856) 14.024 7.801 ( 0.362 -1.582 -3.518) 3.875 8.190 ( -11.328 -0.759 9.134) 14.571 8.328 ( -4.646 3.959 2.470) 6.584 9.352 ( -3.886 -1.602 -0.525) 4.236 9.650 ( -7.133 6.352 -4.090) 10.390 9.912 ( -13.606 9.569 -6.648) 17.913 10.411 ( 0.713 14.209 5.050) 15.097 11.489 ( 4.909 0.082 6.540) 8.178 12.038 ( 13.183 -5.662 -7.411) 16.149 13.012 ( -14.411 0.790 14.754) 20.640 13.379 ( -4.948 -0.374 2.277) 5.460 13.567 ( 6.367 -6.453 -1.489) 9.187 14.659 ( -2.507 1.505 0.573) 2.980 15.270 ( -27.232 14.137 -1.724) 30.731 15.811 ( 28.334 12.638 -31.760) 44.399 16.987 ( -11.717 6.215 4.454) 13.991 18.550 ( -20.432 -6.488 -5.624) 22.163 19.097 ( 4.885 -6.344 -12.867) 15.155 19.551 ( -11.964 9.633 4.422) 15.984 21.693 ( 24.154 -24.267 15.604) 37.626 23.245 ( -1.727 1.433 4.416) 4.954 23.717 ( 1.604 -5.702 6.955) 9.136 ======================= Grid point 25 (16/260) ======================= q-point: ( 0.30 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 20.075 3.414 -0.835) 20.380 2.351 ( 25.567 4.522 21.321) 33.596 3.413 ( -0.196 -7.295 0.052) 7.298 3.558 ( -4.200 4.645 -3.306) 7.082 3.980 ( 22.458 -1.462 4.076) 22.872 4.473 ( 16.041 1.731 8.477) 18.226 5.007 ( -3.934 5.861 -2.098) 7.364 5.291 ( 1.768 6.144 -4.947) 8.084 5.465 ( 5.474 -0.737 -4.374) 7.045 5.695 ( -1.068 -3.086 -7.653) 8.321 5.974 ( -5.522 4.529 3.422) 7.919 6.497 ( -8.269 -5.526 5.378) 11.307 7.180 ( 2.150 -3.737 -2.642) 5.056 7.348 ( -2.335 -8.906 -1.029) 9.264 7.789 ( -1.318 1.909 -2.825) 3.656 7.918 ( -13.517 -2.527 2.569) 13.989 8.288 ( 0.685 8.402 13.807) 16.177 9.273 ( -5.094 -3.216 -1.849) 6.302 9.461 ( -10.196 5.862 2.846) 12.100 9.686 ( -7.088 11.987 -14.990) 20.461 10.425 ( 0.483 16.837 5.240) 17.640 11.558 ( 1.382 0.630 5.181) 5.399 12.308 ( 12.704 -6.150 -7.535) 16.000 12.773 ( -8.573 1.037 10.969) 13.960 13.277 ( -5.100 1.944 1.900) 5.779 13.692 ( 5.372 -4.820 -2.100) 7.517 14.411 ( -18.933 5.100 0.244) 19.609 15.008 ( -0.569 4.349 -0.100) 4.387 16.304 ( 15.465 14.036 -20.596) 29.332 16.977 ( 13.155 6.133 9.697) 17.456 17.997 ( -29.129 -12.441 -9.963) 33.204 19.125 ( -9.806 1.428 -11.488) 15.171 19.397 ( 1.947 6.215 5.887) 8.779 22.030 ( 9.856 -18.400 9.736) 23.032 23.229 ( 0.222 6.137 1.169) 6.251 23.741 ( 0.443 -12.086 6.695) 13.824 ======================= Grid point 26 (17/260) ======================= q-point: ( 0.40 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 16.185 -7.262 -2.454) 17.908 2.839 ( 20.663 -1.349 15.232) 25.706 3.297 ( -8.935 -7.188 2.277) 11.692 3.438 ( -6.942 1.168 -4.515) 8.363 4.422 ( 17.401 -12.299 3.082) 21.530 4.681 ( 5.095 -1.666 16.016) 16.890 5.068 ( 7.259 6.066 -11.209) 14.667 5.319 ( -3.021 7.184 -11.714) 14.069 5.478 ( -1.005 -3.295 -7.489) 8.243 5.668 ( 2.073 6.853 10.899) 13.040 5.950 ( 1.031 3.228 -4.057) 5.286 6.331 ( -6.955 -4.483 4.495) 9.417 7.124 ( -3.349 1.815 4.764) 6.100 7.312 ( -4.377 -5.987 -6.404) 9.799 7.698 ( -6.555 0.413 -4.732) 8.095 7.743 ( -3.316 6.031 1.024) 6.958 8.402 ( 10.191 2.336 15.243) 18.485 9.044 ( -15.174 -4.562 -6.191) 17.012 9.367 ( -0.393 6.005 2.018) 6.347 9.587 ( -2.761 12.460 -8.973) 15.601 10.433 ( 0.162 18.042 3.253) 18.334 11.554 ( -1.296 1.052 3.205) 3.613 12.517 ( 6.462 -13.413 -6.677) 16.317 12.688 ( 0.335 7.603 7.025) 10.357 13.178 ( -4.240 2.119 0.890) 4.823 13.776 ( 2.803 -3.588 -1.737) 4.874 14.062 ( -13.196 5.381 1.593) 14.340 15.049 ( 2.514 2.247 1.093) 3.545 16.502 ( 9.129 0.964 -4.843) 10.379 17.220 ( -11.820 -4.488 -1.456) 12.727 17.651 ( 13.640 7.572 -4.710) 16.297 18.774 ( -20.992 14.789 -2.091) 25.763 19.500 ( 4.699 -4.545 -0.750) 6.581 22.151 ( 2.725 -14.196 4.573) 15.161 23.250 ( 1.416 9.464 -0.176) 9.571 23.742 ( -0.317 -17.111 4.090) 17.596 ======================= Grid point 27 (18/260) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -0.000 -13.056 0.000) 13.056 3.136 ( 0.000 -14.083 0.000) 14.083 3.179 ( 0.000 -1.755 -0.000) 1.755 3.288 ( 0.000 7.656 0.000) 7.656 4.585 ( 0.000 -6.717 -0.000) 6.717 4.798 ( 0.000 -14.785 0.000) 14.785 5.149 ( 0.000 1.156 0.000) 1.156 5.186 ( -0.000 3.824 0.000) 3.824 5.527 ( -0.000 8.990 0.000) 8.990 5.703 ( 0.000 6.314 -0.000) 6.314 5.961 ( 0.000 2.486 -0.000) 2.486 6.255 ( 0.000 -3.576 0.000) 3.576 7.095 ( 0.000 3.951 0.000) 3.951 7.232 ( 0.000 -3.523 -0.000) 3.523 7.645 ( 0.000 2.257 -0.000) 2.257 7.690 ( -0.000 7.889 0.000) 7.889 8.619 ( 0.000 1.675 0.000) 1.675 8.782 ( 0.000 -6.758 -0.000) 6.758 9.369 ( 0.000 4.886 -0.000) 4.886 9.559 ( 0.000 12.694 -0.000) 12.694 10.435 ( 0.000 18.302 -0.000) 18.302 11.536 ( 0.000 1.192 -0.000) 1.192 12.568 ( 0.000 -18.516 0.000) 18.516 12.724 ( 0.000 14.196 -0.000) 14.196 13.128 ( 0.000 -0.377 -0.000) 0.377 13.805 ( 0.000 -3.073 -0.000) 3.073 13.918 ( 0.000 5.898 0.000) 5.898 15.078 ( 0.000 2.445 -0.000) 2.445 16.704 ( 0.000 -1.529 0.000) 1.529 16.896 ( -0.000 -15.470 -0.000) 15.470 18.025 ( -0.000 20.876 -0.000) 20.876 18.413 ( 0.000 15.841 -0.000) 15.841 19.551 ( 0.000 -6.154 0.000) 6.154 22.176 ( 0.000 -12.664 0.000) 12.664 23.268 ( 0.000 10.818 -0.000) 10.818 23.738 ( 0.000 -19.274 -0.000) 19.274 ======================= Grid point 33 (19/260) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 0.000 20.111 0.000) 20.111 1.874 ( 0.000 27.607 0.000) 27.607 3.203 ( 0.000 -7.407 0.000) 7.407 3.302 ( 0.000 48.863 0.000) 48.863 3.486 ( 0.000 -13.573 0.000) 13.573 4.352 ( 0.000 22.556 0.000) 22.556 4.573 ( 0.000 -6.489 0.000) 6.489 5.205 ( 0.000 -1.584 0.000) 1.584 5.369 ( 0.000 -22.844 0.000) 22.844 5.682 ( 0.000 17.771 0.000) 17.771 6.275 ( 0.000 4.819 0.000) 4.819 6.532 ( 0.000 -15.420 0.000) 15.420 7.024 ( 0.000 13.039 0.000) 13.039 7.538 ( 0.000 -8.298 0.000) 8.298 7.803 ( 0.000 1.327 0.000) 1.327 8.338 ( 0.000 -12.085 0.000) 12.085 8.433 ( 0.000 4.540 0.000) 4.540 9.278 ( 0.000 -8.215 0.000) 8.215 10.027 ( 0.000 7.545 0.000) 7.545 10.504 ( 0.000 4.327 0.000) 4.327 10.655 ( 0.000 23.241 0.000) 23.241 11.242 ( 0.000 -4.120 0.000) 4.120 11.551 ( 0.000 -7.539 0.000) 7.539 13.066 ( 0.000 -18.174 0.000) 18.174 13.265 ( 0.000 -6.628 0.000) 6.628 13.752 ( 0.000 4.758 0.000) 4.758 14.724 ( 0.000 2.707 0.000) 2.707 14.914 ( 0.000 4.999 0.000) 4.999 16.360 ( 0.000 -7.967 0.000) 7.967 17.920 ( 0.000 -4.249 0.000) 4.249 18.843 ( 0.000 6.346 0.000) 6.346 19.415 ( 0.000 5.799 0.000) 5.799 19.751 ( 0.000 -7.239 0.000) 7.239 20.070 ( 0.000 -1.818 0.000) 1.818 23.245 ( 0.000 -2.168 0.000) 2.168 23.713 ( 0.000 2.105 0.000) 2.105 ======================= Grid point 34 (20/260) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 5.722 18.613 6.094) 20.404 1.918 ( 4.762 27.929 10.763) 30.307 3.216 ( 2.230 -0.501 -0.976) 2.485 3.359 ( 5.440 13.997 4.963) 15.815 3.625 ( 10.843 4.518 -12.363) 17.054 4.331 ( -1.028 22.619 2.030) 22.733 4.763 ( 15.382 -9.301 4.981) 18.652 5.218 ( -2.375 -8.315 -2.577) 9.023 5.334 ( 1.464 -12.937 -7.523) 15.037 5.653 ( -2.614 14.346 -1.249) 14.635 6.246 ( -2.953 1.707 0.933) 3.536 6.543 ( 0.490 -10.559 2.661) 10.901 7.013 ( -0.542 11.302 -0.467) 11.325 7.544 ( -2.041 -5.446 15.248) 16.319 7.734 ( -3.310 -2.441 -6.378) 7.589 8.251 ( -7.250 -10.270 4.546) 13.368 8.482 ( 2.950 7.342 -1.703) 8.094 9.280 ( -0.237 -7.968 1.729) 8.157 9.942 ( -7.547 6.561 2.802) 10.385 10.421 ( -11.148 12.410 -5.157) 17.461 10.579 ( -0.954 9.853 -7.715) 12.551 11.363 ( 8.675 0.318 5.850) 10.468 11.671 ( 10.586 -6.186 -3.845) 12.850 13.054 ( -1.928 -14.981 2.206) 15.264 13.305 ( 3.870 -6.997 0.489) 8.011 13.586 ( -12.192 4.063 9.983) 16.273 14.700 ( -0.006 2.526 4.106) 4.821 15.307 ( 31.614 7.125 -17.149) 36.665 16.082 ( -25.277 -3.119 -3.291) 25.680 17.573 ( -26.216 4.375 -14.062) 30.069 18.736 ( -3.227 4.169 4.285) 6.794 19.167 ( -19.674 -3.356 -18.315) 27.088 19.775 ( 0.446 1.443 9.979) 10.093 20.625 ( 37.220 -11.672 15.697) 42.047 23.244 ( 0.171 -1.509 4.689) 4.928 23.696 ( -1.787 0.866 0.949) 2.201 ======================= Grid point 35 (21/260) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 8.465 19.341 6.764) 22.170 2.101 ( 12.764 17.805 16.188) 27.239 3.276 ( 2.264 -4.125 1.400) 4.909 3.528 ( 11.044 -4.931 2.625) 12.377 3.778 ( 1.423 8.834 -10.089) 13.485 4.387 ( 7.705 18.172 3.261) 20.005 5.044 ( 3.390 -8.647 12.418) 15.507 5.121 ( 3.900 -9.542 -17.646) 20.436 5.484 ( 8.271 -0.197 -8.573) 11.914 5.598 ( -0.462 5.950 -1.585) 6.175 6.149 ( -6.481 -0.473 3.722) 7.489 6.524 ( -3.021 -4.629 3.724) 6.665 7.034 ( 3.219 5.274 -2.447) 6.646 7.402 ( -9.382 -2.965 13.892) 17.024 7.756 ( 3.450 -3.154 -2.219) 5.174 8.064 ( -10.709 -7.453 3.140) 13.419 8.520 ( 0.426 11.803 4.171) 12.525 9.255 ( -2.459 -7.134 1.745) 7.745 9.757 ( -9.982 4.134 3.568) 11.379 10.147 ( -12.666 13.399 -16.504) 24.746 10.601 ( 1.740 6.092 1.009) 6.415 11.531 ( 7.033 3.458 2.599) 8.257 11.920 ( 12.460 -5.866 -4.977) 14.643 12.955 ( -7.784 -4.624 5.586) 10.639 13.382 ( -6.879 -0.061 8.805) 11.174 13.417 ( 6.528 -8.471 0.444) 10.704 14.709 ( -0.403 3.140 4.484) 5.489 15.455 ( -28.938 5.387 0.052) 29.435 16.067 ( 38.006 13.133 -25.569) 47.652 17.102 ( -16.882 5.222 -1.064) 17.703 18.452 ( -28.887 -4.021 -15.779) 33.160 18.948 ( 2.796 -7.907 -6.704) 10.736 19.726 ( -5.480 7.902 10.129) 13.967 21.294 ( 25.861 -16.489 14.570) 33.955 23.268 ( 2.121 0.904 4.674) 5.212 23.637 ( -3.996 -2.886 1.774) 5.239 ======================= Grid point 36 (22/260) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 8.238 14.742 3.063) 17.164 2.421 ( 16.630 2.409 16.523) 23.567 3.275 ( -2.332 -5.952 1.900) 6.669 3.686 ( -6.286 3.856 -1.400) 7.506 3.814 ( 14.527 -7.230 0.785) 16.245 4.542 ( 3.676 -1.539 7.592) 8.575 5.054 ( 5.089 2.435 -13.461) 14.596 5.318 ( 8.159 -1.885 -5.141) 9.826 5.485 ( -1.719 3.344 -2.173) 4.343 5.737 ( 7.351 4.258 -2.490) 8.852 6.019 ( -4.385 0.683 1.787) 4.784 6.412 ( -7.630 -3.179 4.315) 9.324 7.136 ( 5.726 -1.669 -3.164) 6.751 7.248 ( -5.450 -1.381 9.803) 11.301 7.818 ( 2.226 1.001 -1.754) 3.006 7.837 ( -10.548 -4.480 2.910) 11.824 8.506 ( -1.374 12.917 8.884) 15.737 9.168 ( -6.686 -6.949 -0.325) 9.648 9.558 ( -8.509 3.454 2.675) 9.565 9.939 ( -6.879 13.270 -16.080) 21.954 10.626 ( 0.488 4.887 2.912) 5.710 11.647 ( 4.266 7.196 0.942) 8.419 12.132 ( 7.402 -9.972 -6.181) 13.872 12.802 ( -5.281 2.645 6.482) 8.769 13.282 ( -4.042 -2.045 5.985) 7.506 13.554 ( 6.213 -8.982 0.509) 10.934 14.590 ( -13.239 12.120 2.831) 18.171 15.057 ( -6.649 0.366 3.194) 7.386 16.570 ( 1.701 13.152 -14.775) 19.854 17.117 ( 24.943 7.609 -2.613) 26.208 17.796 ( -29.636 -8.466 -15.344) 34.430 19.041 ( 3.456 -7.069 -6.746) 10.364 19.571 ( -9.196 9.042 10.549) 16.662 21.699 ( 13.920 -15.124 9.918) 22.822 23.328 ( 3.343 4.162 1.145) 5.459 23.539 ( -5.298 -8.552 2.864) 10.460 ======================= Grid point 37 (23/260) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 4.149 0.214 0.395) 4.174 2.724 ( 10.565 -10.464 10.198) 18.031 3.226 ( -0.742 1.658 3.928) 4.328 3.541 ( -6.756 8.531 -2.452) 11.155 4.129 ( 14.636 -16.119 1.555) 21.828 4.537 ( -3.294 -13.598 6.563) 15.454 5.166 ( 3.632 4.294 -9.184) 10.769 5.323 ( -4.788 -1.282 -6.112) 7.869 5.583 ( 8.573 7.749 -2.636) 11.852 5.828 ( 2.961 8.729 6.180) 11.098 6.011 ( 1.736 2.747 -5.312) 6.227 6.256 ( -6.442 -3.142 3.107) 7.812 7.178 ( -1.781 1.334 5.225) 5.680 7.210 ( 0.507 -2.454 -0.077) 2.507 7.671 ( -4.352 -2.404 -1.783) 5.282 7.849 ( 0.275 4.742 -0.408) 4.767 8.516 ( 3.595 8.588 10.958) 14.379 8.961 ( -12.803 -4.602 -4.695) 14.392 9.448 ( -2.404 2.396 1.382) 3.665 9.844 ( -2.466 13.319 -9.067) 16.300 10.624 ( -0.579 3.025 2.131) 3.745 11.705 ( 1.381 12.845 0.880) 12.949 12.209 ( 1.156 -15.212 -4.447) 15.891 12.778 ( 1.996 0.757 2.743) 3.476 13.203 ( -3.632 0.516 4.119) 5.515 13.658 ( 3.732 -8.325 0.178) 9.125 14.299 ( -11.755 17.247 1.506) 20.927 15.057 ( 2.723 -1.583 4.571) 5.551 16.528 ( 0.526 1.819 -1.299) 2.296 17.078 ( -24.220 -7.804 -13.777) 28.936 17.919 ( 32.459 16.631 -4.786) 36.784 18.981 ( -11.316 5.840 -3.536) 13.216 19.423 ( -3.637 -2.617 6.906) 8.233 21.901 ( 6.102 -11.380 4.883) 13.806 23.380 ( 0.707 -2.108 -4.234) 4.782 23.449 ( -2.328 -6.184 5.776) 8.776 ======================= Grid point 38 (24/260) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 0.000 -9.293 0.000) 9.293 2.826 ( 0.000 -15.484 0.000) 15.484 3.251 ( 0.000 7.688 -0.000) 7.688 3.447 ( 0.000 9.561 0.000) 9.561 4.342 ( 0.000 -16.283 -0.000) 16.283 4.452 ( -0.000 -19.914 0.000) 19.914 5.197 ( 0.000 2.976 0.000) 2.976 5.254 ( 0.000 2.561 -0.000) 2.561 5.691 ( -0.000 7.338 0.000) 7.338 5.870 ( 0.000 9.385 -0.000) 9.385 6.025 ( 0.000 3.759 -0.000) 3.759 6.187 ( 0.000 -3.218 0.000) 3.218 7.172 ( -0.000 -2.564 -0.000) 2.564 7.188 ( 0.000 4.943 0.000) 4.943 7.641 ( 0.000 -1.943 -0.000) 1.943 7.841 ( 0.000 7.176 0.000) 7.176 8.659 ( 0.000 2.396 0.000) 2.396 8.718 ( -0.000 -0.851 -0.000) 0.851 9.429 ( 0.000 1.306 -0.000) 1.306 9.819 ( 0.000 13.532 -0.000) 13.532 10.616 ( 0.000 2.033 0.000) 2.033 11.716 ( 0.000 15.945 -0.000) 15.945 12.217 ( 0.000 -17.124 0.000) 17.124 12.814 ( 0.000 -3.912 -0.000) 3.912 13.159 ( 0.000 3.870 0.000) 3.870 13.698 ( 0.000 -7.808 -0.000) 7.808 14.172 ( 0.000 18.303 0.000) 18.303 15.094 ( 0.000 -0.734 -0.000) 0.734 16.648 ( 0.000 -10.256 0.000) 10.256 16.690 ( -0.000 -0.098 -0.000) 0.098 18.445 ( -0.000 22.293 0.000) 22.293 18.674 ( 0.000 11.072 -0.000) 11.072 19.401 ( 0.000 -9.718 0.000) 9.718 21.963 ( 0.000 -9.155 0.000) 9.155 23.368 ( 0.000 -17.965 -0.000) 17.965 23.444 ( -0.000 7.360 0.000) 7.360 ======================= Grid point 44 (25/260) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 0.000 8.549 0.000) 8.549 2.301 ( 0.000 14.532 0.000) 14.532 3.085 ( 0.000 -3.710 0.000) 3.710 3.242 ( 0.000 -9.838 0.000) 9.838 4.144 ( 0.000 38.724 0.000) 38.724 4.484 ( 0.000 -2.461 0.000) 2.461 4.681 ( 0.000 3.677 0.000) 3.677 4.893 ( 0.000 -21.312 0.000) 21.312 5.184 ( 0.000 -0.600 0.000) 0.600 5.982 ( 0.000 11.550 0.000) 11.550 6.265 ( 0.000 -9.676 0.000) 9.676 6.289 ( 0.000 -2.614 0.000) 2.614 7.216 ( 0.000 6.704 0.000) 6.704 7.400 ( 0.000 -5.457 0.000) 5.457 7.847 ( 0.000 2.506 0.000) 2.506 8.148 ( 0.000 -6.568 0.000) 6.568 8.509 ( 0.000 2.714 0.000) 2.714 9.150 ( 0.000 -4.236 0.000) 4.236 10.152 ( 0.000 4.237 0.000) 4.237 10.550 ( 0.000 0.817 0.000) 0.817 11.084 ( 0.000 20.008 0.000) 20.008 11.178 ( 0.000 -2.029 0.000) 2.029 11.385 ( 0.000 -10.896 0.000) 10.896 12.773 ( 0.000 -9.782 0.000) 9.782 13.171 ( 0.000 -2.736 0.000) 2.736 13.821 ( 0.000 2.072 0.000) 2.072 14.761 ( 0.000 1.036 0.000) 1.036 14.983 ( 0.000 2.000 0.000) 2.000 16.248 ( 0.000 -3.211 0.000) 3.211 17.863 ( 0.000 -1.571 0.000) 1.571 18.936 ( 0.000 2.834 0.000) 2.834 19.497 ( 0.000 2.359 0.000) 2.359 19.643 ( 0.000 -3.352 0.000) 3.352 20.042 ( 0.000 -0.864 0.000) 0.864 23.217 ( 0.000 -0.745 0.000) 0.745 23.741 ( 0.000 0.720 0.000) 0.720 ======================= Grid point 45 (26/260) ======================= q-point: ( 0.10 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 4.044 7.603 2.860) 9.074 2.367 ( 5.227 15.956 5.464) 17.657 3.134 ( 3.910 -2.609 4.183) 6.292 3.234 ( 0.037 -10.890 5.318) 12.119 4.143 ( -0.488 30.359 -11.632) 32.514 4.625 ( -4.893 -2.582 -4.087) 6.878 4.643 ( 13.440 -3.105 6.217) 15.130 4.907 ( 2.487 -9.498 -5.391) 11.201 5.260 ( 7.468 -0.680 -2.881) 8.034 5.831 ( -10.613 2.710 -7.791) 13.442 6.235 ( -2.846 0.199 2.213) 3.610 6.395 ( 6.133 -4.743 7.073) 10.494 7.188 ( -2.565 5.920 -2.183) 6.811 7.456 ( 3.494 -3.338 13.945) 14.758 7.705 ( -9.683 -0.578 1.316) 9.789 8.096 ( -4.737 -4.853 -0.131) 6.783 8.608 ( 6.991 4.596 -1.589) 8.516 9.146 ( -0.557 -4.743 3.034) 5.658 10.038 ( -9.916 2.888 4.858) 11.413 10.543 ( -2.535 1.964 3.320) 4.616 10.784 ( -13.745 8.040 -22.105) 27.243 11.381 ( 9.784 0.971 -4.071) 10.642 11.580 ( 14.140 -2.708 8.708) 16.826 12.811 ( 3.346 -8.118 -0.180) 8.782 13.204 ( 3.017 -2.945 1.775) 4.575 13.645 ( -13.581 1.721 9.415) 16.615 14.735 ( -0.206 0.993 5.176) 5.274 15.409 ( 35.039 2.979 -17.998) 39.504 16.026 ( -20.472 -1.899 2.468) 20.708 17.615 ( -20.726 0.750 -13.293) 24.634 18.810 ( -5.113 2.760 7.158) 9.220 19.094 ( -27.393 -3.036 -26.228) 38.046 19.809 ( 5.421 1.339 15.691) 16.655 20.482 ( 31.381 -3.667 11.548) 33.639 23.225 ( 1.090 -0.513 4.207) 4.376 23.708 ( -3.263 0.339 -0.108) 3.282 ======================= Grid point 46 (27/260) ======================= q-point: ( 0.20 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 10.060 6.695 5.496) 13.275 2.454 ( 1.506 15.068 8.723) 17.476 3.189 ( 1.051 -4.211 5.677) 7.146 3.309 ( 7.345 -10.164 6.268) 14.019 4.092 ( -4.113 17.913 -8.142) 20.102 4.486 ( -7.267 -10.453 -4.883) 13.635 4.976 ( 16.000 0.399 4.069) 16.515 5.020 ( 9.083 2.456 -9.404) 13.303 5.480 ( 13.234 0.011 -5.668) 14.396 5.626 ( -7.943 -2.678 -6.532) 10.626 6.145 ( -5.843 0.570 3.672) 6.925 6.464 ( -0.490 -1.692 4.811) 5.123 7.132 ( -2.101 3.586 -3.043) 5.151 7.374 ( -9.057 -0.461 18.799) 20.872 7.696 ( 6.642 -2.333 0.347) 7.049 7.959 ( -8.348 -2.995 0.423) 8.879 8.722 ( 3.396 7.824 1.687) 8.695 9.116 ( -2.884 -6.022 3.606) 7.588 9.807 ( -11.613 1.238 4.246) 12.427 10.349 ( -12.531 6.093 -14.269) 19.944 10.672 ( -0.113 1.967 -3.052) 3.633 11.574 ( 8.924 0.557 -9.310) 12.908 11.849 ( 10.878 -1.291 5.897) 12.440 12.883 ( 2.582 -2.236 0.652) 3.477 13.285 ( 4.611 -4.154 2.900) 6.851 13.378 ( -11.261 -0.207 10.182) 15.183 14.758 ( 2.067 1.537 6.782) 7.255 15.505 ( -27.176 0.802 3.354) 27.394 16.263 ( 45.998 6.075 -22.542) 51.584 17.169 ( -19.993 1.653 -6.142) 20.981 18.394 ( -35.520 -1.815 -26.308) 44.239 18.836 ( 2.948 -3.193 3.964) 5.882 19.833 ( -3.198 2.992 12.404) 13.154 21.081 ( 24.703 -5.679 12.213) 28.137 23.279 ( 4.199 0.310 4.897) 6.458 23.602 ( -7.114 -0.890 -0.468) 7.184 ======================= Grid point 47 (28/260) ======================= q-point: ( 0.30 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 6.608 12.796 4.769) 15.170 2.416 ( -2.620 -3.338 8.871) 9.833 3.224 ( 3.218 0.717 6.295) 7.106 3.500 ( 10.093 -10.474 5.202) 15.448 3.995 ( -4.500 14.903 -2.702) 15.800 4.347 ( -6.116 -15.140 -3.682) 16.739 5.163 ( 6.297 6.081 -7.436) 11.486 5.287 ( 8.416 -1.305 -2.174) 8.789 5.519 ( 1.861 -0.023 -2.796) 3.358 5.783 ( 13.377 0.632 -5.900) 14.634 6.030 ( -3.936 0.667 0.954) 4.104 6.373 ( -7.534 -0.963 4.298) 8.727 7.115 ( 0.335 -0.453 0.181) 0.591 7.256 ( -2.504 0.852 11.826) 12.119 7.774 ( -8.921 -1.743 0.232) 9.093 7.829 ( 5.421 0.146 1.680) 5.678 8.741 ( -1.486 10.340 4.443) 11.352 9.020 ( -6.642 -7.769 1.828) 10.383 9.595 ( -8.579 0.768 1.916) 8.824 10.138 ( -7.076 6.118 -14.635) 17.369 10.665 ( -1.144 0.457 1.764) 2.151 11.738 ( 7.382 1.006 -9.907) 12.395 12.013 ( 4.869 -1.631 2.439) 5.685 12.865 ( -4.908 2.812 4.175) 7.031 13.238 ( -2.111 -1.179 6.403) 6.844 13.389 ( 5.221 -6.523 2.870) 8.834 14.803 ( -0.748 8.312 7.346) 11.118 15.022 ( -15.970 -3.259 4.895) 17.018 16.774 ( -12.221 6.824 -4.598) 14.733 17.218 ( 33.394 2.222 -24.547) 41.504 17.687 ( -23.934 -2.668 -15.165) 28.459 18.924 ( 4.592 -3.871 1.529) 6.197 19.695 ( -10.462 3.476 11.390) 15.851 21.492 ( 15.537 -5.796 8.957) 18.847 23.385 ( 3.786 1.805 1.445) 4.436 23.425 ( -8.086 -3.346 0.533) 8.768 ======================= Grid point 48 (29/260) ======================= q-point: ( 0.40 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -10.919 3.420 3.459) 11.954 2.519 ( 7.596 -8.044 4.365) 11.894 3.335 ( 6.607 7.377 6.401) 11.792 3.660 ( 3.187 -1.756 2.025) 4.164 3.949 ( 1.821 4.286 -0.963) 4.756 4.220 ( -6.518 -17.479 -1.466) 18.712 5.237 ( 1.202 2.688 -4.324) 5.231 5.307 ( -1.822 -0.819 -2.060) 2.869 5.684 ( 8.995 2.689 -1.635) 9.529 5.955 ( 3.852 3.724 1.605) 5.593 6.048 ( 4.254 1.080 -7.128) 8.371 6.215 ( -6.738 -1.096 3.076) 7.487 7.131 ( 0.754 -1.831 5.177) 5.543 7.250 ( 0.695 1.858 5.096) 5.468 7.633 ( -3.968 -1.181 -2.143) 4.662 7.913 ( 2.763 1.773 0.621) 3.341 8.692 ( -2.201 8.934 4.794) 10.375 8.855 ( -8.692 -6.604 -1.058) 10.968 9.469 ( -3.744 0.249 0.557) 3.793 10.044 ( -2.169 6.250 -8.332) 10.639 10.630 ( -1.945 -0.660 1.719) 2.678 11.876 ( 6.298 0.173 -7.748) 9.986 12.054 ( -0.560 1.950 1.425) 2.479 12.737 ( -5.979 -3.362 4.758) 8.348 13.248 ( 1.480 4.169 2.647) 5.155 13.489 ( 3.958 -7.836 1.636) 8.930 14.599 ( -11.227 10.959 3.330) 16.039 14.997 ( 4.895 -3.667 6.975) 9.277 16.566 ( -6.489 1.583 -0.391) 6.691 16.963 ( -22.895 -3.602 -18.340) 29.555 18.187 ( 37.703 9.057 -11.264) 40.379 18.997 ( 1.594 -2.015 -0.353) 2.594 19.416 ( -16.623 0.871 11.471) 20.215 21.743 ( 8.842 -4.512 4.796) 11.024 23.213 ( -8.741 -5.647 -1.299) 10.487 23.498 ( 3.958 2.191 1.289) 4.704 ======================= Grid point 49 (30/260) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 0.000 -3.398 -0.000) 3.398 2.605 ( 0.000 -6.489 0.000) 6.489 3.429 ( 0.000 8.501 -0.000) 8.501 3.657 ( 0.000 11.183 0.000) 11.183 4.046 ( 0.000 -11.789 -0.000) 11.789 4.093 ( -0.000 -15.536 0.000) 15.536 5.241 ( 0.000 1.338 0.000) 1.338 5.284 ( 0.000 0.765 -0.000) 0.765 5.787 ( -0.000 2.558 0.000) 2.558 6.008 ( 0.000 4.267 -0.000) 4.267 6.084 ( 0.000 1.881 0.000) 1.881 6.140 ( 0.000 -1.585 0.000) 1.585 7.139 ( -0.000 -0.831 0.000) 0.831 7.260 ( 0.000 2.115 0.000) 2.115 7.602 ( 0.000 -1.423 -0.000) 1.423 7.941 ( 0.000 2.852 0.000) 2.852 8.698 ( 0.000 1.294 0.000) 1.294 8.718 ( -0.000 0.289 -0.000) 0.289 9.433 ( 0.000 -0.319 -0.000) 0.319 10.024 ( 0.000 6.441 -0.000) 6.441 10.607 ( 0.000 -1.121 0.000) 1.121 11.967 ( 0.000 -7.587 0.000) 7.587 12.022 ( 0.000 12.267 -0.000) 12.267 12.670 ( 0.000 -7.827 -0.000) 7.827 13.267 ( 0.000 6.287 0.000) 6.287 13.533 ( 0.000 -7.963 -0.000) 7.963 14.477 ( 0.000 10.285 0.000) 10.285 15.063 ( 0.000 -1.760 0.000) 1.760 16.512 ( 0.000 -3.780 0.000) 3.780 16.693 ( -0.000 0.199 -0.000) 0.199 18.821 ( -0.000 4.046 0.000) 4.046 18.848 ( 0.000 19.430 -0.000) 19.430 19.173 ( 0.000 -14.370 0.000) 14.370 21.841 ( 0.000 -3.387 0.000) 3.387 23.112 ( 0.000 -7.445 -0.000) 7.445 23.540 ( 0.000 2.612 0.000) 2.612 ======================= Grid point 99 (31/260) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( -14.048 0.000 33.174) 36.026 0.754 ( 6.988 0.000 38.370) 39.001 1.239 ( 17.395 0.000 61.584) 63.994 3.495 ( 0.233 0.000 3.746) 3.753 3.592 ( 4.140 0.000 13.711) 14.322 4.271 ( 1.248 0.000 -5.598) 5.735 4.460 ( 29.189 0.000 -3.400) 29.387 5.061 ( 9.281 0.000 -21.391) 23.318 5.400 ( -3.772 0.000 2.832) 4.717 5.608 ( 7.736 0.000 -10.065) 12.695 6.092 ( -11.499 0.000 24.161) 26.757 6.415 ( -13.797 0.000 -6.771) 15.369 7.093 ( -2.091 0.000 9.406) 9.636 7.892 ( -2.324 0.000 4.087) 4.701 7.919 ( 1.784 0.000 -20.503) 20.580 8.708 ( -5.346 0.000 13.648) 14.658 8.861 ( -8.346 0.000 -1.485) 8.477 9.074 ( 7.859 0.000 -4.098) 8.863 9.524 ( -0.159 0.000 -7.938) 7.939 10.060 ( 7.073 0.000 0.851) 7.124 10.948 ( 25.596 0.000 -12.100) 28.312 11.526 ( 15.723 0.000 10.625) 18.976 11.736 ( 0.043 0.000 -12.453) 12.453 12.816 ( 0.517 0.000 4.055) 4.088 13.609 ( -4.767 0.000 1.549) 5.013 13.890 ( 15.770 0.000 -7.155) 17.317 14.651 ( -5.695 0.000 5.523) 7.933 14.985 ( 5.535 0.000 0.388) 5.548 17.062 ( 1.532 0.000 -8.668) 8.803 17.572 (-148.830 0.000 -4.976) 148.914 18.516 ( -3.135 0.000 1.339) 3.409 19.128 ( 0.435 0.000 -0.750) 0.867 20.180 ( -8.991 0.000 12.603) 15.481 22.108 ( 131.003 0.000 -3.934) 131.062 22.152 ( 5.589 0.000 2.809) 6.255 23.525 ( -2.368 0.000 -2.797) 3.665 ======================= Grid point 100 (32/260) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 19.339 0.000 20.591) 28.249 1.116 ( 29.929 0.000 21.202) 36.678 2.012 ( 44.095 0.000 46.986) 64.437 3.504 ( 0.942 0.000 5.739) 5.816 3.686 ( 4.108 0.000 15.214) 15.759 4.375 ( 9.324 0.000 -4.680) 10.432 4.815 ( 4.425 0.000 -12.415) 13.180 5.173 ( 0.246 0.000 -24.727) 24.728 5.332 ( -1.905 0.000 7.200) 7.448 5.847 ( -11.995 0.000 18.138) 21.746 6.109 ( 20.398 0.000 -27.300) 34.079 6.269 ( 6.812 0.000 -9.048) 11.326 7.046 ( -2.964 0.000 7.589) 8.148 7.805 ( -5.826 0.000 1.739) 6.080 7.883 ( -3.994 0.000 -20.406) 20.793 8.552 ( -10.929 0.000 14.529) 18.180 8.669 ( -7.814 0.000 11.190) 13.648 9.164 ( 1.434 0.000 -1.855) 2.344 9.537 ( 1.477 0.000 -6.437) 6.604 10.121 ( -0.471 0.000 6.955) 6.971 10.825 ( -29.346 0.000 1.441) 29.382 11.797 ( 6.196 0.000 -12.815) 14.234 11.819 ( 5.076 0.000 9.534) 10.801 12.803 ( -2.055 0.000 4.622) 5.058 13.540 ( -1.739 0.000 -0.298) 1.764 13.968 ( -13.777 0.000 3.941) 14.330 14.594 ( -0.106 0.000 0.718) 0.725 15.007 ( -4.234 0.000 1.914) 4.646 15.027 ( -38.006 0.000 49.330) 62.273 16.984 ( -5.953 0.000 -4.397) 7.401 18.627 ( 12.173 0.000 -3.444) 12.651 19.112 ( -3.809 0.000 1.499) 4.094 19.827 ( -24.457 0.000 5.887) 25.155 22.329 ( 10.233 0.000 7.066) 12.435 23.392 ( -8.936 0.000 -4.537) 10.021 23.823 ( 29.152 0.000 -28.802) 40.981 ======================= Grid point 101 (33/260) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 28.558 0.000 9.576) 30.121 1.788 ( 32.434 0.000 10.218) 34.006 2.930 ( 41.541 0.000 24.644) 48.301 3.561 ( 5.688 0.000 11.762) 13.066 3.761 ( 2.721 0.000 11.562) 11.878 4.636 ( 15.315 0.000 -0.654) 15.329 4.867 ( 2.728 0.000 -9.184) 9.581 5.080 ( -6.424 0.000 -16.017) 17.257 5.234 ( -10.820 0.000 4.302) 11.644 5.699 ( -0.986 0.000 6.271) 6.348 6.074 ( -6.537 0.000 0.360) 6.546 6.701 ( 17.852 0.000 -28.332) 33.487 6.985 ( -2.226 0.000 2.541) 3.378 7.668 ( -7.278 0.000 -0.837) 7.326 7.775 ( -5.353 0.000 -15.084) 16.006 8.256 ( -18.076 0.000 11.265) 21.299 8.566 ( -2.829 0.000 14.287) 14.564 9.167 ( -0.354 0.000 1.360) 1.405 9.565 ( 1.059 0.000 -5.392) 5.495 10.028 ( -17.205 0.000 6.340) 18.336 10.161 ( -20.788 0.000 26.513) 33.691 11.871 ( 1.489 0.000 12.177) 12.267 11.967 ( 10.093 0.000 -12.122) 15.773 12.734 ( -4.544 0.000 4.740) 6.566 13.542 ( 1.939 0.000 -0.878) 2.129 13.667 ( -12.420 0.000 5.709) 13.669 14.620 ( 4.726 0.000 -3.201) 5.708 14.801 ( -15.107 0.000 -1.509) 15.182 15.114 ( 21.509 0.000 -3.047) 21.724 16.934 ( 2.476 0.000 3.337) 4.155 18.913 ( 12.041 0.000 -11.251) 16.479 18.958 ( -11.349 0.000 4.334) 12.148 19.246 ( -28.837 0.000 5.751) 29.405 22.531 ( 8.478 0.000 8.852) 12.257 23.173 ( -10.986 0.000 -4.717) 11.956 24.095 ( 5.663 0.000 -7.426) 9.339 ======================= Grid point 102 (34/260) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 28.406 0.000 6.450) 29.129 2.405 ( 26.910 0.000 6.652) 27.720 3.431 ( 4.604 0.000 -2.301) 5.147 3.794 ( -0.366 0.000 8.744) 8.751 3.967 ( 33.206 0.000 17.517) 37.543 4.853 ( -10.617 0.000 13.569) 17.229 4.944 ( 5.433 0.000 -6.792) 8.698 4.967 ( -0.729 0.000 3.320) 3.399 5.033 ( 6.017 0.000 -30.109) 30.704 5.767 ( 6.168 0.000 3.723) 7.205 5.920 ( -8.548 0.000 4.088) 9.475 6.820 ( -3.607 0.000 9.701) 10.350 7.063 ( 7.829 0.000 -23.156) 24.443 7.518 ( -6.671 0.000 -1.810) 6.913 7.669 ( -4.633 0.000 -4.582) 6.516 7.839 ( -22.037 0.000 5.016) 22.601 8.564 ( 2.648 0.000 8.254) 8.669 9.172 ( 1.078 0.000 3.360) 3.529 9.477 ( -25.621 0.000 12.933) 28.701 9.568 ( -0.669 0.000 -5.223) 5.266 10.019 ( -4.667 0.000 22.848) 23.319 11.896 ( 0.548 0.000 7.770) 7.789 12.155 ( 6.408 0.000 -6.830) 9.365 12.655 ( -1.272 0.000 -0.031) 1.273 13.423 ( -11.527 0.000 0.064) 11.527 13.616 ( 5.099 0.000 -0.568) 5.131 14.440 ( -18.636 0.000 -5.163) 19.338 14.751 ( 7.157 0.000 -5.140) 8.811 15.649 ( 29.280 0.000 -8.793) 30.572 17.093 ( 12.286 0.000 10.610) 16.233 18.492 ( -34.598 0.000 -7.806) 35.467 18.654 ( -18.182 0.000 6.138) 19.190 19.273 ( 13.736 0.000 -1.856) 13.861 22.664 ( 4.027 0.000 8.901) 9.770 22.969 ( -8.315 0.000 -6.171) 10.354 24.157 ( 1.102 0.000 -4.172) 4.315 ======================= Grid point 103 (35/260) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 24.173 0.000 5.926) 24.888 2.881 ( 18.761 0.000 3.928) 19.168 3.363 ( -9.523 0.000 -6.548) 11.557 3.722 ( -7.265 0.000 9.786) 12.188 4.545 ( -14.470 0.000 1.209) 14.520 4.577 ( 22.696 0.000 -9.601) 24.643 4.907 ( -1.755 0.000 -12.650) 12.771 5.108 ( 10.212 0.000 3.836) 10.909 5.310 ( 13.494 0.000 -11.069) 17.453 5.720 ( -11.142 0.000 4.702) 12.093 5.939 ( 10.180 0.000 8.629) 13.345 6.688 ( -9.894 0.000 16.258) 19.032 7.172 ( 4.947 0.000 -11.349) 12.380 7.388 ( -20.463 0.000 3.187) 20.710 7.437 ( -0.409 0.000 -1.023) 1.102 7.599 ( -2.056 0.000 1.339) 2.453 8.690 ( 9.386 0.000 -0.387) 9.394 9.028 ( -18.771 0.000 7.670) 20.278 9.212 ( 2.316 0.000 3.177) 3.931 9.536 ( -2.139 0.000 -5.655) 6.046 9.935 ( -4.223 0.000 28.838) 29.145 11.894 ( -0.964 0.000 4.161) 4.271 12.158 ( -4.911 0.000 1.791) 5.227 12.755 ( 10.130 0.000 -9.151) 13.651 13.208 ( -8.853 0.000 -4.097) 9.755 13.737 ( 6.183 0.000 1.218) 6.302 14.079 ( -15.392 0.000 -6.863) 16.853 14.888 ( 6.054 0.000 -2.595) 6.587 16.259 ( 29.054 0.000 -8.697) 30.327 17.422 ( 18.879 0.000 14.853) 24.022 17.795 ( -31.812 0.000 -8.726) 32.987 18.241 ( -21.128 0.000 6.738) 22.177 19.527 ( 10.560 0.000 -1.131) 10.620 22.701 ( -0.592 0.000 7.374) 7.398 22.838 ( -4.216 0.000 -7.564) 8.659 24.146 ( -2.033 0.000 -5.986) 6.322 ======================= Grid point 104 (36/260) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( 9.655 0.000 9.677) 13.670 2.952 ( -19.398 0.000 -6.792) 20.553 3.270 ( 8.731 0.000 -5.475) 10.306 3.545 ( -6.776 0.000 9.640) 11.783 4.295 ( -9.861 0.000 -10.604) 14.480 4.873 ( 5.653 0.000 -22.180) 22.889 4.876 ( -1.488 0.000 -12.995) 13.080 5.195 ( -6.576 0.000 -1.058) 6.661 5.534 ( 8.075 0.000 -3.830) 8.937 5.534 ( -4.418 0.000 10.575) 11.461 6.159 ( 9.826 0.000 13.721) 16.877 6.464 ( -8.900 0.000 13.187) 15.909 7.054 ( -10.323 0.000 -4.044) 11.087 7.320 ( 8.207 0.000 -0.574) 8.227 7.520 ( 9.550 0.000 7.200) 11.960 7.618 ( 4.491 0.000 7.070) 8.376 8.675 ( -15.759 0.000 6.538) 17.061 8.938 ( 13.446 0.000 -10.469) 17.040 9.229 ( -1.891 0.000 2.066) 2.800 9.500 ( -0.390 0.000 -6.245) 6.257 9.870 ( -2.862 0.000 34.815) 34.933 11.852 ( -3.349 0.000 1.114) 3.530 12.048 ( -4.416 0.000 0.350) 4.430 12.962 ( 7.679 0.000 -6.792) 10.252 13.077 ( -3.446 0.000 -7.903) 8.622 13.796 ( -3.664 0.000 -1.970) 4.160 13.902 ( 2.671 0.000 -3.318) 4.259 14.991 ( 3.814 0.000 1.207) 4.000 16.747 ( 14.760 0.000 -2.680) 15.001 17.204 ( -24.208 0.000 -11.508) 26.804 17.874 ( 23.678 0.000 17.854) 29.655 17.881 ( -9.929 0.000 3.612) 10.566 19.695 ( 5.635 0.000 3.498) 6.633 22.652 ( -4.103 0.000 4.327) 5.963 22.790 ( -0.298 0.000 -8.923) 8.928 24.071 ( -4.996 0.000 -9.574) 10.799 ======================= Grid point 105 (37/260) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( -30.888 0.000 -16.039) 34.804 2.683 ( -17.356 0.000 18.966) 25.709 3.423 ( 4.789 0.000 -2.891) 5.593 3.575 ( 6.457 0.000 3.736) 7.460 4.140 ( -3.830 0.000 -18.314) 18.710 4.542 ( -33.436 0.000 -4.745) 33.771 4.821 ( -3.613 0.000 -12.699) 13.203 5.170 ( 2.477 0.000 -16.719) 16.902 5.409 ( -7.779 0.000 3.830) 8.670 5.615 ( -0.249 0.000 5.126) 5.132 6.322 ( 5.630 0.000 18.801) 19.626 6.443 ( 5.843 0.000 7.878) 9.808 7.010 ( 6.093 0.000 -9.566) 11.342 7.466 ( 6.697 0.000 -0.482) 6.714 7.801 ( 12.875 0.000 5.610) 14.044 7.814 ( 15.852 0.000 18.876) 24.649 8.354 ( -15.363 0.000 -1.099) 15.403 9.131 ( -6.791 0.000 0.157) 6.792 9.228 ( 14.667 0.000 -9.307) 17.370 9.517 ( 1.516 0.000 -6.149) 6.333 9.850 ( 0.140 0.000 37.404) 37.404 11.754 ( -6.136 0.000 -2.026) 6.462 11.995 ( -0.957 0.000 -4.569) 4.668 12.990 ( -4.482 0.000 0.786) 4.550 13.066 ( 2.526 0.000 -10.552) 10.850 13.810 ( 5.071 0.000 -1.981) 5.444 14.008 ( 7.116 0.000 -4.365) 8.348 15.038 ( 0.452 0.000 4.633) 4.655 16.745 ( -11.732 0.000 13.916) 18.201 16.810 ( -13.590 0.000 -11.490) 17.797 17.975 ( 16.500 0.000 -6.101) 17.592 18.388 ( 25.151 0.000 15.542) 29.566 19.758 ( 0.375 0.000 11.026) 11.032 22.545 ( -6.207 0.000 0.433) 6.222 22.811 ( 2.230 0.000 -11.615) 11.828 23.937 ( -7.605 0.000 -13.551) 15.539 ======================= Grid point 106 (38/260) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -35.498 0.000 -20.551) 41.018 2.231 ( -25.548 0.000 22.481) 34.030 3.465 ( -1.163 0.000 -0.619) 1.317 3.627 ( -2.229 0.000 1.237) 2.549 3.713 ( -44.352 0.000 6.561) 44.834 4.181 ( 7.569 0.000 -18.550) 20.035 4.731 ( -4.121 0.000 -12.034) 12.720 5.006 ( -14.861 0.000 -6.529) 16.232 5.426 ( 6.798 0.000 -20.305) 21.413 5.566 ( -3.471 0.000 8.101) 8.813 6.404 ( 1.568 0.000 24.308) 24.358 6.618 ( 9.236 0.000 4.533) 10.289 7.241 ( 14.945 0.000 -12.578) 19.534 7.598 ( 5.286 0.000 -0.100) 5.287 7.932 ( -11.652 0.000 1.672) 11.771 8.123 ( 17.579 0.000 2.847) 17.809 8.229 ( 10.048 0.000 18.016) 20.629 8.989 ( -6.415 0.000 -1.215) 6.529 9.519 ( 13.541 0.000 -7.605) 15.530 9.540 ( 0.839 0.000 -6.656) 6.709 9.904 ( 4.107 0.000 35.212) 35.450 11.608 ( -7.614 0.000 -4.201) 8.696 11.976 ( -1.545 0.000 -9.483) 9.608 12.863 ( -6.034 0.000 4.215) 7.360 13.161 ( 6.691 0.000 -11.325) 13.154 13.873 ( -0.178 0.000 9.172) 9.174 14.236 ( 14.694 0.000 -13.259) 19.792 15.006 ( -3.675 0.000 6.822) 7.749 16.498 ( -9.266 0.000 29.561) 30.979 16.645 ( -2.138 0.000 -9.904) 10.132 18.371 ( 19.798 0.000 -8.018) 21.360 18.854 ( 17.265 0.000 7.082) 18.661 19.751 ( 0.595 0.000 22.252) 22.260 22.404 ( -7.321 0.000 -2.892) 7.871 22.850 ( 0.936 0.000 -19.539) 19.561 23.757 ( -9.150 0.000 -15.468) 17.972 ======================= Grid point 107 (39/260) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -35.428 0.000 -18.741) 40.079 1.682 ( -28.180 0.000 24.606) 37.411 2.700 ( -50.361 0.000 19.938) 54.164 3.479 ( -0.231 0.000 0.638) 0.678 3.556 ( -3.116 0.000 1.939) 3.670 4.316 ( 3.065 0.000 -11.305) 11.713 4.674 ( -16.673 0.000 -11.715) 20.377 4.701 ( 3.473 0.000 -15.221) 15.612 5.506 ( -2.426 0.000 6.063) 6.531 5.558 ( 5.783 0.000 -23.755) 24.449 6.394 ( -3.330 0.000 27.448) 27.649 6.777 ( 5.223 0.000 -1.174) 5.354 7.500 ( -16.194 0.000 -8.026) 18.074 7.555 ( 14.923 0.000 -15.091) 21.224 7.809 ( 3.488 0.000 3.363) 4.845 8.491 ( 17.404 0.000 4.070) 17.874 8.495 ( 13.908 0.000 27.140) 30.496 8.882 ( -3.829 0.000 -3.116) 4.936 9.546 ( -0.006 0.000 -7.321) 7.321 9.751 ( 8.286 0.000 -7.162) 10.952 10.039 ( 8.383 0.000 32.414) 33.481 11.463 ( -5.733 0.000 -2.498) 6.253 11.905 ( -4.947 0.000 -11.784) 12.781 12.787 ( -1.395 0.000 4.483) 4.695 13.325 ( 9.566 0.000 -9.189) 13.264 13.825 ( -4.237 0.000 9.060) 10.001 14.544 ( 14.657 0.000 -10.880) 18.254 14.903 ( -6.076 0.000 8.257) 10.252 16.500 ( 11.701 0.000 52.257) 53.551 16.706 ( 7.729 0.000 -8.189) 11.260 18.738 ( 15.687 0.000 -6.250) 16.886 18.971 ( -6.226 0.000 0.185) 6.228 19.902 ( 13.158 0.000 28.379) 31.281 22.250 ( -7.272 0.000 -4.178) 8.387 22.750 ( -13.422 0.000 -42.440) 44.512 23.586 ( -5.883 0.000 -9.005) 10.756 ======================= Grid point 108 (40/260) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( -2.528 0.000 23.433) 23.569 1.109 ( -27.539 0.000 27.800) 39.131 1.703 ( -44.934 0.000 37.754) 58.689 3.484 ( 0.579 0.000 2.364) 2.434 3.532 ( 0.878 0.000 7.505) 7.557 4.297 ( -2.594 0.000 -5.647) 6.214 4.338 ( -13.387 0.000 -7.907) 15.547 4.857 ( 10.351 0.000 -19.433) 22.017 5.462 ( -2.392 0.000 3.164) 3.966 5.617 ( -0.093 0.000 -21.603) 21.603 6.286 ( -7.907 0.000 27.130) 28.259 6.746 ( -11.301 0.000 -16.097) 19.668 7.183 ( -10.025 0.000 4.616) 11.036 7.808 ( 9.519 0.000 -17.833) 20.215 7.888 ( 2.529 0.000 4.578) 5.230 8.767 ( 2.360 0.000 20.340) 20.476 8.813 ( 13.820 0.000 13.420) 19.264 8.868 ( 8.505 0.000 -16.135) 18.239 9.538 ( -0.584 0.000 -7.920) 7.942 9.872 ( 6.904 0.000 -3.246) 7.629 10.310 ( 19.894 0.000 34.861) 40.138 11.402 ( 0.314 0.000 3.810) 3.823 11.793 ( -4.711 0.000 -12.096) 12.981 12.793 ( 1.218 0.000 3.872) 4.059 13.561 ( 14.133 0.000 -4.220) 14.750 13.721 ( -5.771 0.000 5.233) 7.791 14.777 ( -6.340 0.000 8.288) 10.434 14.809 ( 11.145 0.000 -5.079) 12.248 16.914 ( 11.065 0.000 -8.359) 13.868 17.263 ( 69.409 0.000 78.090) 104.478 18.725 ( -14.370 0.000 2.140) 14.528 19.006 ( 10.836 0.000 -1.637) 10.958 20.169 ( 8.719 0.000 21.513) 23.212 22.076 ( -55.014 0.000 -66.963) 86.664 22.130 ( -3.271 0.000 -2.271) 3.982 23.535 ( 0.111 0.000 -1.626) 1.629 ======================= Grid point 109 (41/260) ======================= q-point: ( 0.00 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 14.760 23.869 21.027) 35.067 1.020 ( 11.478 16.856 34.234) 39.848 1.662 ( -6.750 39.951 42.285) 58.563 3.561 ( 3.349 -1.042 10.508) 11.078 3.610 ( 1.177 9.499 5.319) 10.950 4.013 ( 2.893 -16.120 -1.362) 16.434 4.562 ( 13.568 4.621 -5.247) 15.263 5.096 ( 2.900 3.191 -17.902) 18.414 5.380 ( -3.907 -2.362 6.786) 8.178 5.697 ( 10.858 7.152 -11.807) 17.563 6.156 ( -10.835 2.811 16.164) 19.662 6.454 ( -7.934 6.362 -4.107) 10.968 6.996 ( 0.084 -7.273 9.857) 12.250 7.777 ( 2.301 -7.867 -7.413) 11.052 8.000 ( -4.274 4.070 -3.369) 6.796 8.434 ( 4.236 -11.123 19.035) 22.450 8.913 ( 1.200 -5.641 11.046) 12.461 9.242 ( -7.797 14.163 -23.425) 28.463 9.489 ( 0.645 -3.491 -7.639) 8.424 10.171 ( 5.281 9.294 -0.698) 10.712 10.665 ( 13.880 -15.198 12.901) 24.291 11.435 ( 6.150 -3.633 9.267) 11.700 11.771 ( -3.538 -2.236 -7.518) 8.605 13.064 ( 10.264 15.038 -14.345) 23.179 13.573 ( -3.400 -4.303 2.054) 5.856 13.808 ( 11.483 -7.571 -1.567) 13.843 14.593 ( -2.185 -2.921 3.926) 5.359 14.932 ( -9.000 -1.370 6.487) 11.179 16.735 ( -23.162 -18.709 1.982) 29.840 17.758 ( -67.510 7.432 -20.131) 70.839 18.574 ( 2.076 5.141 0.147) 5.546 19.159 ( -0.540 2.484 -2.248) 3.394 20.135 ( -7.629 -4.298 13.120) 15.774 20.866 ( 60.635 -39.147 37.463) 81.318 23.111 ( 26.164 22.222 -18.028) 38.773 23.524 ( -1.681 1.049 -3.770) 4.259 ======================= Grid point 110 (42/260) ======================= q-point: ( 0.10 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 2.018 24.222 26.403) 35.887 1.357 ( 28.850 21.066 12.679) 37.906 2.145 ( 38.548 15.241 37.674) 56.014 3.589 ( -0.067 6.957 4.375) 8.219 3.675 ( 3.973 0.110 15.046) 15.562 4.128 ( 8.998 -17.600 -3.430) 20.062 4.922 ( 12.720 3.613 -12.366) 18.104 5.115 ( -0.106 -1.267 -17.244) 17.291 5.307 ( -1.200 -1.894 5.461) 5.903 5.877 ( -14.773 0.838 13.984) 20.359 6.068 ( 16.499 -2.174 -16.162) 23.198 6.402 ( 5.114 11.845 -7.756) 15.054 6.979 ( -2.139 -5.434 9.392) 11.059 7.771 ( -2.678 -3.583 -4.301) 6.205 7.868 ( -7.546 -1.072 -8.756) 11.609 8.482 ( -0.706 -1.821 21.121) 21.211 8.768 ( -12.650 1.180 6.361) 14.209 9.151 ( -1.192 3.520 -10.368) 11.014 9.506 ( 0.994 -2.928 -6.190) 6.919 10.226 ( -0.174 8.716 3.987) 9.586 10.641 ( -16.892 -13.208 11.533) 24.348 11.608 ( 7.999 -9.401 12.740) 17.739 11.759 ( 4.425 -4.180 -10.248) 11.920 13.195 ( 0.170 21.728 -10.661) 24.203 13.509 ( -2.598 -3.493 0.314) 4.364 13.850 ( -10.785 -9.988 9.239) 17.362 14.617 ( 2.788 2.175 -1.509) 3.845 14.746 ( -1.989 -2.894 4.211) 5.483 15.563 ( -44.511 24.352 10.668) 51.846 17.079 ( -10.482 9.019 -4.496) 14.541 18.640 ( 8.533 1.618 -1.767) 8.863 19.095 ( -7.517 -2.476 -2.033) 8.171 19.841 ( -19.538 1.843 7.570) 21.034 21.943 ( 31.046 -32.723 12.550) 46.821 23.377 ( -6.469 -1.404 -2.609) 7.115 23.731 ( 19.749 -5.255 -12.970) 24.205 ======================= Grid point 111 (43/260) ======================= q-point: ( 0.20 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 20.565 7.143 16.099) 27.076 1.969 ( 29.246 14.394 9.923) 34.073 2.970 ( 37.340 4.496 18.000) 41.696 3.600 ( 1.597 2.879 7.487) 8.179 3.764 ( 5.027 0.863 12.270) 13.288 4.382 ( 15.052 -15.523 -0.113) 21.623 5.052 ( -3.761 -3.474 -18.669) 19.358 5.069 ( 3.905 12.517 -5.485) 14.213 5.267 ( -7.654 2.626 2.646) 8.513 5.663 ( -3.169 -3.117 6.188) 7.619 6.119 ( -5.341 3.656 -0.255) 6.477 6.711 ( 17.757 0.883 -23.636) 29.576 6.915 ( -4.093 -5.563 9.510) 11.753 7.646 ( -8.788 -2.101 1.316) 9.131 7.746 ( -3.683 -2.195 -12.899) 13.593 8.321 ( -16.514 5.808 11.252) 20.810 8.591 ( -2.705 0.414 13.961) 14.227 9.139 ( 0.042 0.416 -3.058) 3.087 9.512 ( -0.511 -3.841 -4.196) 5.712 10.043 ( -23.219 0.489 9.937) 25.261 10.299 ( -6.433 11.844 15.667) 20.667 11.716 ( 3.188 -9.750 8.290) 13.189 11.946 ( 11.955 -3.155 -11.007) 16.554 13.040 ( -12.041 22.866 4.920) 26.307 13.453 ( -4.274 -7.811 1.250) 8.991 13.650 ( -4.169 -2.284 2.738) 5.486 14.635 ( -0.794 0.672 -0.348) 1.096 14.785 ( -4.862 2.799 -12.741) 13.922 15.281 ( 13.395 13.446 -0.365) 18.983 16.976 ( 0.674 4.003 3.197) 5.167 18.743 ( -16.363 -15.051 2.748) 22.401 18.909 ( 3.987 -1.661 -12.738) 13.450 19.442 ( -16.647 14.411 8.529) 23.612 22.356 ( 12.351 -16.997 9.602) 23.101 23.205 ( -8.562 2.756 -3.698) 9.725 23.974 ( 6.185 -10.576 -4.701) 13.123 ======================= Grid point 112 (44/260) ======================= q-point: ( 0.30 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 25.196 -3.483 9.311) 27.086 2.534 ( 25.125 9.825 7.827) 28.090 3.414 ( 2.586 -1.159 -2.883) 4.043 3.686 ( 2.772 -8.254 9.414) 12.823 4.037 ( 25.184 3.550 8.870) 26.936 4.714 ( 16.522 -10.457 2.341) 19.692 4.918 ( -10.016 2.996 2.091) 10.662 5.032 ( -8.883 4.648 -11.279) 15.091 5.184 ( 6.484 8.214 -10.601) 14.896 5.709 ( 4.367 -3.982 2.131) 6.282 5.981 ( -6.704 4.751 4.431) 9.335 6.795 ( -6.452 -3.899 12.253) 14.386 7.008 ( 9.903 -3.347 -19.676) 22.281 7.463 ( -8.536 -3.804 2.023) 9.562 7.683 ( -2.648 0.725 -8.045) 8.501 7.932 ( -19.431 7.917 5.638) 21.727 8.593 ( 2.174 1.830 12.606) 12.922 9.146 ( -0.091 -0.052 -0.188) 0.215 9.461 ( -7.844 -5.806 -2.290) 10.024 9.564 ( -16.221 6.152 12.291) 21.261 10.236 ( -2.426 17.111 14.412) 22.503 11.753 ( 0.068 -9.266 5.742) 10.901 12.197 ( 12.008 -0.831 -10.658) 16.077 12.807 ( -9.628 13.525 4.952) 17.325 13.324 ( -7.402 -6.541 1.088) 9.938 13.655 ( 3.113 1.685 -2.066) 4.099 14.394 ( -17.107 -3.165 -3.399) 17.727 14.823 ( 6.023 6.364 -5.626) 10.413 15.744 ( 26.726 9.260 -10.020) 30.008 17.117 ( 12.524 2.250 10.199) 16.308 18.190 ( -31.312 -19.733 -3.484) 37.174 18.863 ( -14.555 9.450 -3.372) 17.678 19.337 ( 7.004 7.358 2.992) 10.590 22.510 ( 2.860 -13.378 7.731) 15.714 23.063 ( -4.623 7.102 -4.493) 9.592 24.041 ( 1.110 -11.149 -3.515) 11.743 ======================= Grid point 113 (45/260) ======================= q-point: ( 0.40 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 22.173 -9.012 6.698) 24.854 2.989 ( 18.697 7.418 5.112) 20.755 3.302 ( -11.175 -4.107 -6.521) 13.574 3.634 ( -7.290 -8.905 9.592) 14.981 4.513 ( 9.874 -5.852 -11.318) 16.120 4.682 ( -1.834 10.247 -2.342) 10.670 4.918 ( -3.921 0.146 -21.267) 21.626 5.075 ( 16.316 -0.413 12.156) 20.351 5.341 ( 8.131 1.803 -5.242) 9.841 5.703 ( -6.674 -0.480 0.934) 6.756 5.961 ( 6.181 2.074 8.809) 10.959 6.633 ( -9.795 -5.661 14.920) 18.724 7.144 ( 4.021 -1.265 -7.061) 8.224 7.315 ( -5.169 -3.354 4.869) 7.853 7.510 ( -12.749 3.798 -7.927) 15.486 7.709 ( -1.259 9.541 6.184) 11.440 8.702 ( 8.266 0.475 5.745) 10.078 8.986 ( -16.616 -2.883 1.048) 16.896 9.291 ( 0.005 5.545 3.658) 6.642 9.460 ( -1.987 -0.824 3.994) 4.537 10.189 ( -2.701 19.630 16.485) 25.776 11.721 ( -3.158 -10.272 3.601) 11.334 12.371 ( 3.115 10.705 -3.973) 11.835 12.707 ( 1.399 -1.979 -4.929) 5.493 13.184 ( -5.369 -1.250 -0.488) 5.534 13.742 ( 4.956 -0.028 -1.211) 5.102 14.055 ( -14.621 -1.560 -4.426) 15.356 14.941 ( 5.089 4.861 -2.747) 7.555 16.294 ( 26.156 3.376 -8.356) 27.665 17.458 ( 13.390 -0.767 14.460) 19.722 17.567 ( -21.550 -12.315 -7.597) 25.957 18.466 ( -21.654 16.422 2.740) 27.314 19.524 ( 8.867 -0.174 0.113) 8.869 22.507 ( -2.398 -13.149 4.092) 13.978 23.008 ( -1.235 10.627 -4.198) 11.492 24.029 ( -2.005 -11.586 -5.480) 12.972 ======================= Grid point 114 (46/260) ======================= q-point: (-0.50 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 6.137 -12.518 9.426) 16.829 2.986 ( -17.334 -0.181 -11.555) 20.833 3.273 ( 5.840 1.076 1.295) 6.077 3.475 ( -2.888 -7.295 8.832) 11.814 4.366 ( -9.520 4.691 -15.093) 18.451 4.791 ( -8.345 -7.848 -17.551) 20.959 4.926 ( 10.994 5.891 -18.020) 21.916 5.286 ( -0.765 7.832 3.375) 8.562 5.431 ( -0.335 -4.800 7.875) 9.228 5.619 ( 3.075 3.628 -1.226) 4.911 6.126 ( 7.374 -2.669 13.968) 16.019 6.432 ( -7.762 -3.362 11.469) 14.251 7.058 ( -8.083 1.635 -0.047) 8.247 7.387 ( 10.532 -2.997 8.339) 13.764 7.417 ( 3.221 2.920 -7.342) 8.532 7.745 ( 4.629 8.146 10.844) 14.331 8.619 ( -18.162 -5.053 0.680) 18.864 8.923 ( 12.264 -1.536 -1.952) 12.513 9.298 ( -1.598 6.128 3.334) 7.157 9.466 ( 3.186 1.946 3.211) 4.924 10.135 ( -2.902 20.917 19.030) 28.427 11.646 ( -3.676 -11.149 0.443) 11.747 12.343 ( -3.710 19.466 -1.217) 19.853 12.791 ( 3.704 -13.149 -8.666) 16.178 13.133 ( 0.205 2.275 -2.209) 3.178 13.820 ( -1.679 2.101 -0.321) 2.709 13.857 ( 0.882 -3.709 -4.938) 6.238 15.020 ( 2.465 2.479 0.248) 3.505 16.729 ( 9.734 -1.566 -1.202) 9.932 17.088 ( -10.137 -11.161 -9.402) 17.768 17.838 ( 1.695 6.804 11.192) 13.207 18.147 ( 4.618 15.956 5.688) 17.558 19.667 ( 4.667 -2.964 3.564) 6.578 22.443 ( -3.589 -13.510 0.702) 13.996 22.988 ( -0.810 12.341 -5.329) 13.467 23.960 ( -4.486 -11.204 -8.709) 14.883 ======================= Grid point 115 (47/260) ======================= q-point: (-0.40 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( -24.907 -4.316 -4.050) 25.600 2.613 ( -22.275 -5.474 5.961) 23.700 3.357 ( 6.901 -5.481 -3.516) 9.488 3.558 ( 4.583 -2.439 4.596) 6.934 4.208 ( -5.251 6.191 -18.898) 20.568 4.475 ( -22.094 -7.224 -10.541) 25.524 4.988 ( -6.740 15.558 -9.867) 19.617 5.213 ( -0.543 4.444 -12.593) 13.365 5.366 ( -5.493 -1.791 7.067) 9.128 5.699 ( 2.361 5.313 4.391) 7.285 6.236 ( 3.578 -7.296 18.080) 19.822 6.413 ( 5.152 -3.444 6.515) 8.992 7.008 ( 4.047 0.714 -5.839) 7.140 7.537 ( 7.203 3.407 -4.227) 9.020 7.661 ( 15.144 -6.209 11.338) 19.911 7.907 ( 9.517 4.209 15.729) 18.859 8.244 ( -17.714 -8.078 -4.388) 19.957 9.175 ( 10.479 -1.000 -1.689) 10.662 9.240 ( -1.946 5.788 0.693) 6.145 9.574 ( 6.741 7.036 1.408) 9.846 10.088 ( -2.000 20.357 21.731) 29.844 11.580 ( -2.957 -9.903 -3.141) 10.801 12.254 ( -4.631 18.080 -5.094) 19.347 12.812 ( -1.336 -13.476 -5.382) 14.572 13.142 ( 0.787 3.607 -1.936) 4.168 13.848 ( 3.300 2.525 1.368) 4.375 13.954 ( 9.220 -3.907 -6.986) 12.210 15.039 ( -0.640 -0.115 2.735) 2.812 16.619 ( -8.053 -6.342 1.295) 10.332 17.012 ( -12.131 13.854 0.155) 18.415 17.857 ( 14.230 -7.964 2.535) 16.503 18.559 ( 23.569 13.735 7.875) 28.393 19.712 ( -0.344 -4.773 10.312) 11.368 22.355 ( -5.368 -14.324 -3.114) 15.610 22.973 ( -0.413 11.437 -8.275) 14.123 23.845 ( -6.256 -9.205 -11.906) 16.298 ======================= Grid point 116 (48/260) ======================= q-point: (-0.30 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -31.008 6.433 -15.627) 35.314 2.076 ( -28.915 -12.428 17.758) 36.137 3.481 ( 4.236 0.394 -2.860) 5.127 3.580 ( -2.837 -3.867 2.604) 5.458 3.824 ( -34.126 9.750 3.120) 35.628 4.232 ( 1.614 1.390 -16.343) 16.481 4.800 ( -8.434 9.767 -6.355) 14.385 5.089 ( -9.292 7.453 -9.482) 15.225 5.350 ( 1.554 -2.505 -8.757) 9.239 5.729 ( 1.395 11.119 -0.183) 11.207 6.304 ( 2.211 -9.789 23.216) 25.292 6.576 ( 9.090 -4.283 3.916) 10.785 7.176 ( 10.607 -4.623 -8.608) 14.421 7.638 ( -1.996 -4.591 -2.898) 5.785 7.857 ( -7.180 -3.129 -1.400) 7.956 8.009 ( 14.334 -6.519 15.130) 21.837 8.161 ( 9.709 -1.741 8.267) 12.870 9.179 ( -0.553 12.682 0.207) 12.696 9.399 ( 8.143 -4.662 -4.617) 10.458 9.736 ( 8.814 11.240 -3.218) 14.642 10.078 ( 0.669 17.382 25.585) 30.938 11.506 ( -4.331 -6.611 -5.012) 9.359 12.152 ( -5.362 13.489 -9.391) 17.288 12.756 ( -2.656 -9.908 -1.127) 10.320 13.202 ( 5.289 3.428 -5.051) 8.077 13.849 ( -2.597 -3.524 6.820) 8.104 14.266 ( 18.962 3.679 -9.984) 21.743 14.999 ( -3.113 -0.632 4.438) 5.458 16.548 ( -0.768 3.663 18.696) 19.067 16.691 ( -12.125 6.481 -1.061) 13.790 18.282 ( 22.589 -7.034 -1.576) 23.712 18.983 ( 14.903 11.022 1.380) 18.588 19.694 ( 0.476 -6.026 21.790) 22.613 22.199 ( -10.345 -17.563 -8.494) 22.082 22.965 ( -0.362 8.641 -14.083) 16.527 23.705 ( -6.713 -5.087 -12.727) 15.262 ======================= Grid point 117 (49/260) ======================= q-point: (-0.20 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -29.856 15.192 -14.295) 36.422 1.480 ( -28.764 -11.940 24.254) 39.474 3.021 ( -40.644 25.242 18.088) 51.150 3.525 ( -2.882 -3.146 1.696) 4.591 3.546 ( 2.064 7.422 -0.381) 7.713 4.213 ( -5.432 -8.608 -5.375) 11.511 4.718 ( -0.476 6.946 -19.293) 20.511 4.909 ( -5.611 14.484 -12.324) 19.828 5.369 ( 0.708 -4.617 -2.961) 5.530 5.756 ( 0.521 10.943 -9.667) 14.611 6.326 ( -0.937 -6.936 26.041) 26.965 6.741 ( 5.895 -3.756 -0.413) 7.002 7.234 ( -12.804 -17.404 -4.982) 22.174 7.519 ( 5.246 -8.629 -7.588) 12.631 7.912 ( 6.709 8.769 -2.910) 11.419 8.218 ( 5.164 -11.724 26.375) 29.322 8.444 ( 16.442 -4.444 2.063) 17.156 9.226 ( 5.180 16.267 -2.911) 17.318 9.499 ( 1.715 -2.614 -9.067) 9.591 9.913 ( 7.763 12.643 -7.147) 16.468 10.143 ( 5.153 12.076 29.649) 32.426 11.410 ( -4.142 -3.713 -3.085) 6.361 12.018 ( -7.194 8.024 -10.299) 14.907 12.753 ( 2.860 -2.647 -1.937) 4.352 13.343 ( 8.282 1.199 -5.958) 10.273 13.769 ( -4.874 -5.665 7.412) 10.526 14.620 ( 11.593 5.079 -6.818) 14.377 14.955 ( 1.090 6.719 2.169) 7.144 16.465 ( 0.659 -2.542 35.616) 35.713 16.791 ( 17.045 8.036 4.540) 19.384 18.691 ( 15.459 -3.358 -0.601) 15.831 19.050 ( -6.751 6.331 -5.157) 10.595 19.860 ( 13.968 -4.309 27.963) 31.553 21.882 ( -22.110 -28.184 -16.934) 39.623 22.924 ( -3.475 10.358 -24.003) 26.373 23.585 ( -4.015 -0.115 -7.930) 8.889 ======================= Grid point 118 (50/260) ======================= q-point: (-0.10 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -4.379 21.384 17.414) 27.923 0.979 ( -17.408 3.434 28.810) 33.835 2.208 ( -37.403 38.134 29.090) 60.823 3.504 ( 1.001 -2.919 7.000) 7.650 3.585 ( 1.590 10.482 1.357) 10.689 4.058 ( -7.158 -12.236 -0.798) 14.199 4.580 ( -9.480 10.142 -16.658) 21.685 4.974 ( 8.330 9.557 -17.850) 21.894 5.387 ( 1.167 -2.428 1.961) 3.332 5.706 ( -5.107 4.546 -9.950) 12.073 6.284 ( -3.712 0.010 21.565) 21.882 6.707 ( -12.074 -3.154 -12.099) 17.382 6.997 ( -3.120 -12.525 11.280) 17.142 7.679 ( 7.213 -9.329 -7.966) 14.230 8.021 ( 2.681 8.634 -3.439) 9.673 8.321 ( 5.222 -15.733 22.074) 27.606 8.754 ( 12.427 -5.547 7.835) 15.703 9.339 ( 2.686 16.943 -16.957) 24.121 9.488 ( -1.135 -4.062 -9.009) 9.948 10.040 ( 6.058 13.535 -5.535) 15.829 10.330 ( 12.902 3.852 29.444) 32.377 11.367 ( 0.465 -2.721 2.629) 3.812 11.873 ( -6.099 3.380 -9.100) 11.465 12.867 ( 8.119 6.577 -6.849) 12.494 13.536 ( 10.348 -3.148 -3.615) 11.405 13.675 ( -3.636 -4.757 6.155) 8.587 14.661 ( -3.374 -3.142 3.112) 5.563 15.026 ( 0.744 12.318 -4.252) 13.052 16.685 ( 14.039 -15.952 13.655) 25.259 17.506 ( 58.360 16.286 39.191) 72.160 18.676 ( -16.422 -4.397 -0.874) 17.023 19.054 ( 8.973 4.702 -3.128) 10.602 20.131 ( 8.499 -3.998 21.435) 23.403 21.145 ( -51.182 -39.917 -21.512) 68.380 22.856 ( 0.947 23.845 -25.399) 34.850 23.542 ( -0.551 1.123 -2.914) 3.171 ======================= Grid point 119 (51/260) ======================= q-point: ( 0.00 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 10.082 18.434 27.382) 34.514 1.401 ( 13.836 29.651 10.807) 34.459 2.524 ( -11.770 46.250 22.397) 52.719 3.488 ( 4.868 -5.552 12.129) 14.200 3.721 ( -3.864 -10.226 0.050) 10.932 3.932 ( 2.577 17.898 1.375) 18.135 4.546 ( 5.713 -5.172 -12.003) 14.264 5.273 ( 1.169 14.394 -7.894) 16.458 5.322 ( -3.190 -2.458 7.720) 8.707 5.748 ( 3.311 -5.042 -4.797) 7.707 6.170 ( -5.854 1.735 7.881) 9.970 6.642 ( -1.204 7.643 -4.303) 8.854 6.885 ( 1.107 -1.586 7.462) 7.709 7.607 ( 5.245 -9.620 -8.572) 13.911 8.056 ( -7.953 1.585 9.676) 12.624 8.307 ( 9.423 -3.688 7.507) 12.599 8.763 ( 0.608 -8.625 12.830) 15.472 9.377 ( 0.565 -5.851 -5.784) 8.247 9.543 ( -5.226 15.314 -22.523) 27.733 10.341 ( 3.843 7.537 -2.373) 8.787 10.544 ( 0.022 1.532 11.442) 11.545 11.371 ( 5.082 -3.604 6.844) 9.255 11.683 ( -5.401 -5.679 -2.135) 8.123 13.230 ( 10.078 0.686 -10.992) 14.928 13.436 ( -1.682 -8.890 2.709) 9.444 13.670 ( 8.326 -4.759 -0.305) 9.595 14.601 ( 0.255 3.036 -1.232) 3.286 14.963 ( -14.653 4.076 7.007) 16.746 16.425 ( -11.693 -14.801 -7.113) 20.159 17.830 ( -34.376 1.493 -15.413) 37.703 18.683 ( 7.568 5.884 -1.916) 9.775 19.196 ( -4.238 0.807 -7.409) 8.574 20.048 ( -4.353 -3.970 14.503) 15.654 20.439 ( 33.090 -12.156 24.603) 42.989 23.270 ( 9.037 0.493 -2.881) 9.498 23.591 ( 1.141 4.767 -6.211) 7.912 ======================= Grid point 120 (52/260) ======================= q-point: ( 0.10 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 1.289 22.038 25.368) 33.628 1.759 ( 20.687 20.468 14.421) 32.478 2.615 ( 18.986 31.842 14.610) 39.848 3.588 ( 3.470 -3.700 14.949) 15.786 3.696 ( 1.097 -9.044 -5.862) 10.833 4.010 ( 6.668 13.159 7.039) 16.345 4.797 ( 13.588 -10.751 -17.580) 24.683 5.256 ( 0.185 3.518 0.661) 3.584 5.308 ( -0.038 8.956 -3.499) 9.615 5.735 ( -7.062 -13.879 7.199) 17.156 6.135 ( 3.936 6.495 -3.124) 8.212 6.630 ( 0.664 8.761 -3.253) 9.369 6.887 ( -1.158 -2.329 6.303) 6.818 7.682 ( 2.195 -5.207 -8.179) 9.942 7.856 ( -11.044 0.072 4.392) 11.886 8.483 ( 6.826 0.274 15.391) 16.839 8.662 ( -10.389 -8.410 12.488) 18.292 9.342 ( -4.555 8.576 -11.251) 14.863 9.458 ( -0.582 3.564 -13.271) 13.753 10.366 ( -6.252 3.739 3.779) 8.206 10.488 ( -2.397 -1.144 9.306) 9.677 11.478 ( 4.523 -6.440 2.920) 8.394 11.687 ( 6.401 -1.935 -2.485) 7.134 13.371 ( -0.753 -11.323 -0.883) 11.383 13.404 ( 2.766 0.487 -1.459) 3.165 13.711 ( -6.839 -2.151 7.876) 10.650 14.690 ( 4.481 5.295 -3.017) 7.564 14.811 ( 5.287 7.603 -8.155) 12.340 15.837 ( -35.126 5.551 -8.923) 36.664 17.267 ( -16.708 9.221 -5.817) 19.950 18.685 ( -0.162 2.442 -0.293) 2.465 19.001 ( -14.358 -6.997 -8.946) 18.307 19.910 ( -8.968 5.314 11.130) 15.249 21.351 ( 40.295 -26.340 17.299) 51.154 23.347 ( -2.098 -1.636 0.731) 2.759 23.675 ( 6.360 -1.249 -5.155) 8.281 ======================= Grid point 121 (53/260) ======================= q-point: ( 0.20 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 7.457 19.809 19.857) 29.022 2.224 ( 23.190 11.602 14.033) 29.484 3.107 ( 23.776 9.486 3.998) 25.908 3.615 ( -1.712 -0.904 7.507) 7.752 3.747 ( 5.457 -6.433 -3.378) 9.087 4.261 ( 17.113 6.833 13.124) 22.623 4.932 ( 0.460 -8.757 -20.862) 22.630 5.275 ( -2.740 6.021 -3.463) 7.467 5.312 ( 1.426 3.509 -0.077) 3.788 5.591 ( -2.325 -3.948 6.052) 7.590 6.172 ( -3.006 1.286 -1.306) 3.521 6.712 ( 5.522 -2.356 -0.757) 6.051 6.854 ( -0.125 1.279 -0.139) 1.293 7.611 ( -10.491 -0.853 5.482) 11.868 7.718 ( 0.012 -0.526 -8.951) 8.966 8.379 ( -16.355 -3.689 9.524) 19.282 8.586 ( 2.761 3.263 18.119) 18.616 9.257 ( -2.736 9.244 -9.265) 13.371 9.452 ( -0.809 -0.622 -6.868) 6.943 10.055 ( -19.603 0.916 12.010) 23.007 10.509 ( 1.673 8.827 5.478) 10.522 11.567 ( 4.028 -6.668 -0.643) 7.817 11.885 ( 11.392 -1.860 -4.988) 12.575 13.223 ( -12.599 -8.326 6.879) 16.595 13.423 ( -4.189 7.414 0.611) 8.537 13.587 ( 0.663 -3.368 3.755) 5.087 14.682 ( -6.008 5.265 0.195) 7.991 14.931 ( -3.178 11.087 -22.362) 25.161 15.536 ( 13.579 12.132 -3.174) 18.484 17.062 ( -3.513 4.357 2.606) 6.174 18.438 ( -26.440 -16.389 -4.973) 31.503 18.881 ( 5.018 -1.010 -7.707) 9.252 19.716 ( -9.826 13.722 10.377) 19.812 21.958 ( 19.449 -22.602 11.556) 31.979 23.261 ( -4.662 2.906 -2.080) 5.874 23.773 ( 2.686 -9.410 -2.302) 10.053 ======================= Grid point 122 (54/260) ======================= q-point: ( 0.30 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 15.118 7.324 12.939) 21.204 2.686 ( 20.888 5.414 10.590) 24.037 3.398 ( 2.086 -1.894 -1.980) 3.443 3.542 ( -4.515 -4.447 4.749) 7.919 3.991 ( 17.810 -9.049 -5.279) 20.662 4.670 ( 20.712 6.825 12.678) 25.225 4.866 ( -4.959 -8.895 -14.619) 17.816 5.155 ( -7.247 6.414 -5.279) 11.024 5.329 ( 1.896 7.513 -2.447) 8.126 5.666 ( 5.985 -0.236 0.294) 5.997 6.054 ( -6.258 1.958 2.427) 6.992 6.663 ( -7.510 -8.214 10.939) 15.606 6.994 ( 9.651 1.395 -11.066) 14.750 7.415 ( -8.382 -0.727 5.530) 10.068 7.712 ( -1.441 2.518 -5.393) 6.124 8.046 ( -14.611 2.403 7.501) 16.599 8.626 ( 1.525 2.894 16.363) 16.687 9.192 ( -5.878 1.689 -4.372) 7.518 9.411 ( -2.268 3.478 -5.591) 6.964 9.693 ( -13.317 6.469 12.785) 19.561 10.534 ( 0.465 12.139 6.098) 13.592 11.624 ( 1.024 -4.131 0.915) 4.353 12.116 ( 10.822 -6.070 -10.423) 16.204 12.950 ( -11.682 -1.197 6.876) 13.608 13.327 ( -4.899 6.698 2.806) 8.760 13.650 ( 3.710 -2.095 -1.918) 4.672 14.393 ( -17.156 4.906 -2.424) 18.008 14.955 ( 4.619 6.612 -5.094) 9.540 15.971 ( 21.871 13.727 -12.877) 28.855 17.159 ( 13.222 1.450 8.299) 15.678 17.823 ( -30.475 -17.840 -6.690) 35.941 18.953 ( -1.326 1.199 -6.221) 6.473 19.545 ( -5.542 12.922 8.761) 16.567 22.210 ( 5.965 -17.194 8.672) 20.160 23.192 ( -1.612 5.962 -4.590) 7.695 23.788 ( -0.855 -13.851 -2.353) 14.075 ======================= Grid point 123 (55/260) ======================= q-point: ( 0.40 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 15.320 -4.709 8.892) 18.329 3.050 ( 12.006 -1.278 2.532) 12.336 3.297 ( -6.840 2.150 -1.120) 7.257 3.418 ( -8.873 -10.709 5.866) 15.094 4.320 ( 10.724 -13.373 -12.502) 21.216 4.751 ( -4.175 -7.626 -15.056) 17.386 4.999 ( -0.955 10.198 -14.815) 18.011 5.104 ( 13.754 3.401 15.663) 21.121 5.402 ( 4.840 5.454 -0.026) 7.292 5.734 ( -0.647 3.444 -2.844) 4.513 6.000 ( 2.113 1.484 6.611) 7.097 6.493 ( -8.579 -8.071 11.566) 16.507 7.160 ( 5.669 2.620 -2.083) 6.583 7.274 ( -4.793 -0.605 4.373) 6.516 7.589 ( -8.639 4.171 -4.410) 10.558 7.882 ( -1.963 7.653 8.880) 11.885 8.702 ( 6.147 0.045 11.132) 12.716 8.928 ( -17.934 -3.170 -2.457) 18.377 9.417 ( 2.235 8.613 0.088) 8.899 9.553 ( -1.956 8.035 7.999) 11.505 10.531 ( -0.917 13.687 7.091) 15.442 11.600 ( -3.089 -1.254 1.549) 3.677 12.310 ( 8.243 -12.596 -13.555) 20.256 12.791 ( -4.239 4.787 3.169) 7.136 13.225 ( -4.745 5.712 3.752) 8.320 13.721 ( 3.178 -2.224 -3.489) 5.217 14.077 ( -12.609 5.717 -0.263) 13.847 15.039 ( 2.887 4.545 -2.611) 5.984 16.375 ( 19.182 4.807 -6.778) 20.905 17.167 ( -23.830 -17.887 -3.674) 30.021 17.652 ( 23.856 9.847 4.122) 26.135 18.756 ( -16.592 12.901 -0.104) 21.018 19.529 ( 2.513 1.029 3.828) 4.693 22.251 ( -1.162 -13.218 5.428) 14.336 23.188 ( 0.877 7.538 -6.008) 9.680 23.746 ( -2.881 -16.391 -3.707) 17.050 ======================= Grid point 124 (56/260) ======================= q-point: (-0.50 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 4.092 -12.537 10.866) 17.088 2.966 ( -14.212 -0.996 -13.645) 19.727 3.208 ( -7.996 -10.653 4.008) 13.910 3.378 ( 8.275 1.126 5.635) 10.075 4.379 ( -1.872 -4.004 -16.344) 16.931 4.588 ( -12.258 -13.186 -18.737) 25.985 5.093 ( 10.772 10.111 -13.548) 20.045 5.333 ( 5.741 -2.163 15.221) 16.411 5.480 ( 0.670 8.274 -1.536) 8.442 5.689 ( -1.521 4.571 -1.479) 5.040 6.092 ( 4.422 -0.384 11.651) 12.468 6.343 ( -5.471 -5.642 8.156) 11.326 7.136 ( -5.735 6.099 4.555) 9.531 7.268 ( 3.162 -5.451 2.069) 6.632 7.556 ( 6.101 6.831 -2.549) 9.507 7.893 ( 2.391 7.232 13.530) 15.527 8.531 ( -19.522 -2.985 -5.483) 20.495 8.887 ( 10.806 -2.090 6.873) 12.976 9.426 ( -1.632 6.548 5.242) 8.545 9.607 ( 6.313 11.428 3.862) 13.616 10.504 ( -1.823 14.662 8.292) 16.943 11.527 ( -3.286 0.344 -0.800) 3.399 12.437 ( 4.416 -15.098 -11.422) 19.440 12.723 ( -4.182 9.066 -1.593) 10.111 13.163 ( -0.764 1.906 3.236) 3.833 13.770 ( 1.584 -4.158 -3.323) 5.553 13.916 ( -2.033 8.474 -0.135) 8.716 15.059 ( -0.761 1.045 -2.085) 2.454 16.682 ( -6.729 -4.449 -1.609) 8.226 16.869 ( 14.747 -8.824 -2.302) 17.339 18.081 ( 2.131 16.815 5.067) 17.691 18.446 ( 0.759 14.829 2.844) 15.118 19.582 ( 1.538 -5.915 3.821) 7.208 22.194 ( -4.234 -12.163 1.403) 12.955 23.201 ( 0.100 9.160 -6.888) 11.461 23.678 ( -3.327 -16.749 -5.701) 18.003 ======================= Grid point 125 (57/260) ======================= q-point: (-0.40 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -15.247 -8.040 13.724) 22.033 2.548 ( -25.400 -0.977 -12.527) 28.338 3.244 ( 9.718 -6.281 -3.692) 12.146 3.496 ( 2.897 -2.766 1.841) 4.408 4.270 ( -16.012 -11.826 -10.860) 22.676 4.330 ( -3.182 3.509 -18.374) 18.975 5.280 ( 4.203 9.252 -16.670) 19.523 5.367 ( -11.240 13.344 -1.346) 17.499 5.379 ( 0.179 3.775 8.401) 9.212 5.712 ( 4.384 -4.757 10.315) 12.176 6.142 ( -0.133 -0.556 13.768) 13.780 6.323 ( 3.788 -5.367 3.293) 7.348 7.056 ( -0.417 4.104 -1.396) 4.355 7.397 ( 6.951 -11.481 1.507) 13.506 7.709 ( 7.501 3.819 4.319) 9.460 7.974 ( 2.148 2.327 15.038) 15.368 8.177 ( -10.736 3.561 -6.551) 13.072 9.118 ( 10.597 -3.971 1.331) 11.395 9.389 ( -1.191 7.856 4.177) 8.977 9.768 ( 8.645 12.261 4.987) 15.810 10.467 ( -1.831 15.987 10.190) 19.047 11.479 ( -1.481 1.032 -4.332) 4.693 12.494 ( 2.161 -10.045 -9.171) 13.772 12.582 ( -9.351 5.295 -3.461) 11.290 13.188 ( 2.505 0.966 1.484) 3.068 13.782 ( -0.801 -7.006 -0.851) 7.103 14.018 ( 12.205 9.480 -2.856) 15.715 15.021 ( -2.461 -2.128 -1.464) 3.567 16.525 ( -2.383 -3.313 -2.262) 4.666 17.269 ( 7.334 10.581 4.368) 13.595 17.789 ( -6.281 3.510 8.121) 10.850 18.828 ( 22.337 13.537 2.490) 26.237 19.574 ( -2.586 -9.698 7.861) 12.749 22.073 ( -8.032 -14.510 -4.082) 17.080 23.177 ( -2.133 9.456 -7.965) 12.546 23.618 ( -2.140 -13.380 -7.470) 15.473 ======================= Grid point 126 (58/260) ======================= q-point: (-0.30 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -20.899 -1.739 17.041) 27.022 1.978 ( -27.629 8.279 -14.464) 32.266 3.442 ( 4.019 -6.875 2.892) 8.472 3.538 ( 5.226 2.153 -6.531) 8.637 3.905 ( -18.554 -5.054 -3.225) 19.498 4.272 ( -3.726 6.259 -11.290) 13.435 5.057 ( -15.714 13.267 2.678) 20.739 5.265 ( -2.814 11.062 -14.260) 18.266 5.376 ( -1.161 4.756 -0.768) 4.956 5.874 ( 8.891 -0.372 3.441) 9.541 6.104 ( -2.939 -6.346 18.273) 19.565 6.469 ( 8.801 -6.322 1.888) 10.999 7.110 ( 4.080 -2.065 -5.431) 7.100 7.372 ( -9.976 -14.804 1.064) 17.883 7.908 ( 12.337 -2.941 7.638) 14.805 7.932 ( 0.408 1.502 -0.973) 1.836 8.209 ( 6.731 8.307 8.520) 13.671 9.268 ( 3.584 -4.108 -1.569) 5.673 9.432 ( 5.751 8.262 0.205) 10.069 9.952 ( 8.936 11.532 3.169) 14.930 10.444 ( -0.449 17.377 13.873) 22.240 11.440 ( -2.693 0.983 -6.401) 7.014 12.352 ( -12.358 2.571 -4.088) 13.268 12.564 ( 5.632 -5.422 -9.263) 12.122 13.253 ( 3.699 0.779 -0.881) 3.882 13.728 ( -4.289 -8.411 1.889) 9.629 14.374 ( 20.237 6.991 -4.004) 21.782 14.986 ( 0.448 -0.876 -1.269) 1.606 16.610 ( 10.699 3.798 1.456) 11.446 16.922 ( -26.511 16.610 12.631) 33.738 18.160 ( 27.243 -5.195 6.357) 28.453 19.204 ( 10.260 10.961 -5.655) 16.043 19.520 ( 0.981 -12.024 20.654) 23.919 21.832 ( -16.037 -19.203 -11.055) 27.352 23.119 ( -2.945 7.105 -10.443) 12.970 23.588 ( -0.690 -6.557 -7.412) 9.920 ======================= Grid point 127 (59/260) ======================= q-point: (-0.20 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -21.236 11.292 7.729) 25.263 1.532 ( -16.152 18.321 3.571) 24.684 3.400 ( -9.398 2.411 8.073) 12.622 3.477 ( -15.296 7.212 4.789) 17.576 3.727 ( 6.868 6.375 -4.342) 10.328 4.114 ( -11.390 4.035 1.035) 12.128 4.813 ( -8.269 2.362 -15.918) 18.093 5.199 ( -1.849 14.688 -11.615) 18.817 5.370 ( 0.654 3.832 2.590) 4.672 5.910 ( -6.298 4.033 -0.612) 7.503 6.144 ( 6.200 -11.065 17.770) 21.832 6.635 ( 6.556 -7.084 1.364) 9.748 7.007 ( -12.317 -4.102 -0.584) 12.995 7.328 ( 6.855 -10.021 -7.676) 14.364 7.989 ( 4.358 -3.557 2.515) 6.162 8.129 ( 6.179 0.349 13.203) 14.581 8.389 ( 11.545 1.868 4.557) 12.552 9.325 ( 2.642 -3.832 -2.654) 5.358 9.549 ( 4.493 7.394 -7.522) 11.464 10.123 ( 7.421 9.636 -1.806) 12.295 10.465 ( 1.852 18.284 18.202) 25.866 11.363 ( -4.113 -0.637 -5.031) 6.529 12.092 ( -12.436 -1.475 -3.155) 12.914 12.733 ( 10.984 1.379 -11.972) 16.306 13.337 ( 4.548 -2.365 -2.460) 5.686 13.625 ( -5.209 -8.916 4.383) 11.217 14.657 ( 3.839 -0.482 -0.644) 3.922 15.149 ( 15.198 10.627 -9.533) 20.851 16.444 ( -16.934 1.324 22.079) 27.857 16.984 ( 26.835 11.454 10.072) 30.867 18.642 ( 15.320 -1.549 4.072) 15.928 19.150 ( -7.592 2.554 -7.784) 11.169 19.751 ( 15.202 -6.277 24.067) 29.150 21.371 ( -29.418 -23.121 -17.056) 41.121 23.069 ( -0.973 5.117 -13.053) 14.054 23.582 ( 0.172 -0.206 -5.766) 5.772 ======================= Grid point 128 (60/260) ======================= q-point: (-0.10 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 1.183 27.026 16.672) 31.776 1.310 ( -4.528 24.757 11.917) 27.847 2.938 ( -25.300 35.294 19.927) 47.779 3.418 ( 1.140 -5.945 6.549) 8.918 3.834 ( -0.565 -2.486 1.138) 2.792 3.893 ( -4.923 12.889 0.931) 13.828 4.625 ( -9.466 -3.744 -19.489) 21.987 5.218 ( 3.285 15.552 -8.892) 18.214 5.379 ( -0.966 -0.084 5.287) 5.375 5.757 ( -5.559 0.273 -0.147) 5.567 6.235 ( 0.762 -5.229 11.517) 12.672 6.689 ( -2.170 -2.000 -5.938) 6.631 6.857 ( -0.536 1.205 8.013) 8.120 7.480 ( 7.202 -11.090 -9.074) 16.037 8.112 ( 6.776 -8.210 13.484) 17.180 8.168 ( -1.065 5.569 2.717) 6.288 8.638 ( 10.406 -5.128 9.049) 14.713 9.364 ( 1.072 -6.931 -5.628) 8.992 9.599 ( 0.523 10.850 -15.894) 19.251 10.252 ( 5.212 8.092 -4.159) 10.485 10.512 ( 1.865 14.779 16.329) 22.102 11.310 ( -0.001 -3.182 1.300) 3.438 11.854 ( -10.353 -4.568 -2.087) 11.507 12.987 ( 13.272 4.507 -14.102) 19.882 13.431 ( 3.598 -7.220 -1.484) 8.202 13.554 ( -0.187 -7.374 4.898) 8.855 14.640 ( -2.789 0.123 0.827) 2.911 15.252 ( -8.812 11.557 -5.524) 15.548 16.383 ( 7.922 -15.503 10.737) 20.455 17.766 ( 45.388 10.242 20.340) 50.781 18.592 ( -15.275 -3.600 -7.559) 17.419 19.166 ( 6.343 6.450 -5.711) 10.698 20.020 ( 8.742 -7.349 21.268) 24.140 20.627 ( -38.572 -16.506 -10.330) 43.208 23.103 ( 5.380 5.251 -10.931) 13.267 23.585 ( 0.224 3.115 -4.786) 5.715 ======================= Grid point 129 (61/260) ======================= q-point: ( 0.00 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 4.642 16.178 19.095) 25.454 1.953 ( 9.023 27.320 8.048) 29.876 3.224 ( -3.377 13.697 4.173) 14.712 3.361 ( 5.680 -8.111 5.285) 11.224 3.634 ( -10.357 14.445 12.621) 21.799 4.335 ( 2.279 21.603 -0.867) 21.740 4.447 ( 2.555 -3.207 -8.370) 9.320 5.267 ( -2.068 -2.537 6.204) 7.014 5.506 ( -5.025 -17.176 9.660) 20.337 5.600 ( -1.298 15.922 -7.941) 17.839 6.224 ( 0.608 1.892 -2.662) 3.322 6.564 ( 2.496 -10.560 3.386) 11.368 7.037 ( -1.091 11.728 0.592) 11.793 7.427 ( 7.896 -8.652 -9.544) 15.109 8.068 ( -4.408 0.167 18.974) 19.480 8.252 ( 8.671 -2.889 -0.277) 9.144 8.626 ( -2.146 -4.906 12.229) 13.350 9.242 ( 2.417 -7.245 -3.591) 8.439 9.850 ( -0.070 15.537 -15.710) 22.096 10.443 ( 3.779 2.964 -5.234) 7.104 10.665 ( -12.450 9.367 -0.882) 15.605 11.299 ( 2.579 -3.542 4.094) 5.997 11.591 ( -0.423 -3.276 4.934) 5.938 13.043 ( 2.550 -16.094 -1.847) 16.400 13.316 ( 0.503 -4.782 4.970) 6.915 13.662 ( 10.921 2.766 -7.506) 13.537 14.669 ( 3.131 3.337 -2.366) 5.151 15.067 ( -16.997 6.165 9.427) 20.390 16.163 ( -3.730 -12.261 -16.250) 20.695 17.844 ( -21.536 0.343 -7.477) 22.800 18.791 ( 8.521 5.290 -4.466) 10.979 19.178 ( -12.229 -2.624 -15.354) 19.804 20.003 ( 1.867 -0.691 17.540) 17.653 20.280 ( 20.257 -5.727 17.624) 27.455 23.250 ( 5.295 -1.555 0.389) 5.533 23.667 ( 0.510 2.978 -4.570) 5.478 ======================= Grid point 130 (62/260) ======================= q-point: ( 0.10 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 6.738 13.450 20.360) 25.315 2.173 ( 11.526 22.312 12.772) 28.175 3.194 ( 1.151 20.494 1.000) 20.551 3.465 ( 2.426 -12.368 -4.972) 13.549 3.563 ( 4.234 7.272 15.298) 17.460 4.376 ( 2.649 18.252 2.153) 18.569 4.627 ( 12.110 -3.938 -9.889) 16.123 5.249 ( 0.065 -1.738 3.186) 3.630 5.366 ( -6.324 -14.941 3.348) 16.566 5.590 ( -0.374 7.350 -1.444) 7.499 6.220 ( -0.960 1.647 -2.817) 3.402 6.616 ( 1.906 -6.411 4.864) 8.270 6.986 ( -3.266 9.234 -2.370) 10.077 7.583 ( 6.956 -5.030 -7.253) 11.238 7.885 ( -11.287 3.325 11.329) 16.333 8.378 ( -2.268 -10.469 11.373) 15.623 8.612 ( 3.829 2.716 12.226) 13.096 9.289 ( 1.435 -5.904 -0.383) 6.088 9.767 ( -6.569 19.518 -18.489) 27.676 10.383 ( -13.895 0.177 3.167) 14.253 10.535 ( 3.932 2.874 -0.617) 4.910 11.332 ( 2.843 -8.378 -7.639) 11.689 11.711 ( 9.261 4.112 7.945) 12.877 13.083 ( 0.787 -16.328 1.694) 16.434 13.358 ( 3.446 -3.631 4.978) 7.060 13.722 ( -5.764 1.570 2.371) 6.427 14.786 ( 3.057 4.246 2.313) 5.721 14.987 ( 14.507 9.606 -11.819) 21.034 15.849 ( -22.786 -2.554 -18.305) 29.339 17.413 ( -17.708 6.175 -3.878) 19.151 18.678 ( -18.085 -4.735 -11.037) 21.709 18.895 ( -8.328 -1.933 -5.785) 10.323 20.026 ( -1.330 6.273 13.973) 15.374 20.956 ( 35.500 -15.492 16.384) 42.055 23.319 ( 1.132 -1.166 2.884) 3.311 23.664 ( -0.768 -0.183 -4.398) 4.468 ======================= Grid point 131 (63/260) ======================= q-point: ( 0.20 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 4.672 18.129 18.590) 26.383 2.437 ( 14.026 12.007 14.764) 23.640 3.272 ( 4.445 4.719 -1.811) 6.731 3.543 ( 6.819 -11.574 -5.154) 14.388 3.651 ( 1.383 6.978 3.476) 7.918 4.495 ( 8.931 6.287 5.043) 12.030 4.790 ( 2.693 0.932 -10.160) 10.552 5.216 ( -0.462 -7.944 2.398) 8.311 5.396 ( 6.465 2.024 -1.857) 7.024 5.575 ( -0.090 1.044 1.359) 1.716 6.165 ( -4.768 -1.595 -2.288) 5.524 6.626 ( -1.789 -5.184 6.779) 8.720 6.947 ( 0.876 6.438 -5.798) 8.708 7.621 ( -8.680 1.211 7.156) 11.314 7.730 ( 2.205 2.213 -1.820) 3.616 8.223 ( -10.458 -9.969 11.708) 18.596 8.711 ( 2.916 7.674 13.218) 15.560 9.276 ( -3.070 -4.654 0.713) 5.621 9.638 ( -4.241 16.075 -15.211) 22.534 10.070 ( -15.775 0.272 9.608) 18.472 10.620 ( 3.639 3.099 0.173) 4.783 11.427 ( 6.141 -8.091 -12.018) 15.735 11.906 ( 8.528 3.762 4.121) 10.191 13.045 ( -5.069 -8.534 5.071) 11.146 13.442 ( 3.092 -3.139 2.630) 5.132 13.556 ( -6.277 -1.073 6.965) 9.437 14.805 ( -1.562 6.264 4.451) 7.841 15.163 ( -11.934 11.823 -25.571) 30.595 15.729 ( 24.940 8.055 -10.829) 28.358 17.130 ( -9.221 2.646 2.837) 10.004 18.137 ( -30.158 -14.342 -13.613) 36.063 18.875 ( 3.224 0.228 -2.341) 3.991 19.949 ( -6.449 10.221 12.005) 17.035 21.561 ( 22.197 -17.693 12.186) 30.891 23.314 ( -1.156 2.570 -0.051) 2.818 23.626 ( -2.831 -6.029 -3.076) 7.336 ======================= Grid point 132 (64/260) ======================= q-point: ( 0.30 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 3.986 15.686 13.839) 21.295 2.738 ( 13.704 -0.201 13.069) 18.937 3.291 ( -2.632 -6.510 -0.132) 7.024 3.582 ( -5.122 4.504 -5.884) 9.008 3.784 ( 13.515 -8.410 -4.238) 16.473 4.591 ( -2.318 -16.838 -7.677) 18.650 4.919 ( 13.320 15.162 5.571) 20.936 5.236 ( 0.050 2.080 -5.734) 6.100 5.454 ( 0.528 4.497 -0.517) 4.557 5.679 ( 8.653 0.579 -0.520) 8.688 6.044 ( -5.446 -2.361 -1.434) 6.106 6.527 ( -7.711 -5.663 8.035) 12.493 7.040 ( 7.645 2.949 -5.732) 10.000 7.441 ( -7.499 3.098 9.579) 12.553 7.769 ( -1.524 2.987 -1.988) 3.899 8.025 ( -6.746 -3.428 11.760) 13.984 8.724 ( -1.210 6.682 10.865) 12.813 9.149 ( -9.822 -4.522 -0.899) 10.850 9.592 ( -0.665 11.701 -6.236) 13.275 9.799 ( -9.266 4.765 9.820) 14.317 10.670 ( 1.012 2.677 1.169) 3.091 11.556 ( 6.339 -4.690 -10.458) 13.098 12.034 ( 3.626 -0.848 -2.053) 4.252 12.907 ( -6.849 -0.926 5.403) 8.773 13.397 ( -4.267 -0.270 4.514) 6.218 13.580 ( 4.105 -5.097 2.353) 6.955 14.598 ( -15.637 14.905 -3.246) 21.845 15.048 ( 1.953 2.585 -3.483) 4.757 16.247 ( 16.975 14.961 -16.459) 27.980 17.120 ( 6.545 -7.206 2.173) 9.975 17.559 ( -18.821 -8.283 -8.270) 22.164 18.952 ( 3.004 -0.709 -3.165) 4.421 19.778 ( -10.105 10.622 10.792) 18.205 21.890 ( 10.335 -15.221 9.538) 20.724 23.283 ( -1.812 3.376 -5.921) 7.053 23.558 ( -3.192 -9.402 -0.981) 9.977 ======================= Grid point 133 (65/260) ======================= q-point: ( 0.40 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 2.925 2.636 10.950) 11.637 2.935 ( 3.091 -12.646 9.556) 16.149 3.208 ( -4.212 -1.148 -4.583) 6.330 3.461 ( -4.766 7.719 -4.132) 9.968 4.054 ( 11.706 -13.145 -7.841) 19.269 4.489 ( -6.679 -17.011 -11.156) 21.411 5.190 ( 8.820 5.767 10.147) 14.629 5.202 ( 0.130 8.581 -10.879) 13.856 5.512 ( 5.081 4.744 -1.193) 7.053 5.812 ( 2.924 4.196 -3.066) 5.963 6.007 ( 2.757 -0.662 1.713) 3.313 6.355 ( -8.112 -5.958 7.629) 12.630 7.203 ( 5.767 1.099 -0.040) 5.871 7.318 ( -4.411 5.151 8.440) 10.827 7.647 ( -6.321 1.505 -0.187) 6.500 7.997 ( 1.113 4.652 12.202) 13.106 8.718 ( 1.373 1.540 6.341) 6.668 8.875 ( -15.643 -2.318 -1.476) 15.883 9.567 ( -2.152 5.470 8.268) 10.144 9.740 ( 2.804 11.378 1.065) 11.767 10.665 ( -1.230 1.266 2.009) 2.674 11.661 ( 3.509 4.440 -5.767) 8.080 12.071 ( 1.340 -8.758 -7.735) 11.761 12.807 ( -3.062 -1.764 0.729) 3.608 13.311 ( -4.375 2.345 5.928) 7.732 13.650 ( 2.451 -5.370 -0.785) 5.955 14.313 ( -10.887 17.453 -0.259) 20.572 15.090 ( 0.490 0.460 -2.005) 2.115 16.465 ( 10.286 4.307 -4.223) 11.924 16.867 ( -19.987 -13.050 -7.234) 24.942 17.850 ( 31.318 9.990 -2.286) 32.952 18.935 ( -6.217 5.815 -1.459) 8.637 19.572 ( -9.069 3.283 8.473) 12.837 22.018 ( 2.260 -10.748 6.946) 12.995 23.239 ( -1.723 -4.508 -10.622) 11.667 23.508 ( -1.806 -4.981 0.537) 5.325 ======================= Grid point 134 (66/260) ======================= q-point: (-0.50 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 0.477 -9.083 11.694) 14.815 2.850 ( -10.492 -12.054 -0.190) 15.982 3.113 ( -3.741 3.783 -8.496) 10.024 3.443 ( 2.159 5.022 -2.246) 5.910 4.229 ( 3.514 -10.795 -8.768) 14.344 4.308 ( -8.512 -15.340 -13.238) 21.977 5.244 ( 6.154 4.320 -7.129) 10.361 5.328 ( 3.829 2.389 8.236) 9.392 5.606 ( 2.262 4.944 -2.689) 6.066 5.810 ( -2.581 7.171 -2.338) 7.972 6.108 ( 5.082 1.584 7.042) 8.828 6.233 ( -3.407 -5.443 4.639) 7.922 7.187 ( -2.991 -2.852 1.285) 4.328 7.265 ( -4.090 6.440 7.509) 10.705 7.646 ( 5.037 2.572 2.114) 6.038 8.020 ( 0.723 5.805 14.368) 15.513 8.529 ( -14.567 2.838 -7.117) 16.459 8.838 ( 7.931 -3.378 6.007) 10.507 9.526 ( -1.732 3.767 9.406) 10.280 9.852 ( 7.051 12.984 2.884) 15.054 10.638 ( -1.080 0.591 2.952) 3.199 11.683 ( -0.856 14.152 -3.199) 14.535 12.124 ( 3.918 -15.336 -8.564) 17.997 12.755 ( -2.812 -5.501 -5.535) 8.295 13.228 ( -3.404 4.735 6.055) 8.407 13.674 ( -0.214 -6.347 -2.335) 6.766 14.180 ( -1.560 17.574 0.711) 17.658 15.046 ( -4.243 -2.473 -4.884) 6.926 16.550 ( -8.707 -7.365 -5.805) 12.796 16.798 ( 21.750 -0.426 6.952) 22.839 18.423 ( 12.890 17.492 -2.027) 21.823 18.704 ( -6.236 12.270 2.534) 13.995 19.440 ( -4.566 -9.026 4.570) 11.100 21.992 ( -4.810 -8.617 2.526) 10.187 23.232 ( 1.686 -9.996 -11.199) 15.105 23.469 ( -2.413 0.148 0.061) 2.418 ======================= Grid point 135 (67/260) ======================= q-point: (-0.40 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -5.572 -3.726 12.273) 13.984 2.541 ( -18.034 -1.026 -9.101) 20.227 3.130 ( 5.758 -4.350 -4.178) 8.339 3.489 ( 2.019 1.612 -7.688) 8.110 4.027 ( -12.698 -10.984 -7.099) 18.228 4.341 ( 3.226 -3.914 -10.906) 12.028 5.383 ( 1.723 2.061 5.603) 6.214 5.414 ( 7.429 0.515 -9.973) 12.447 5.580 ( -2.651 2.196 4.615) 5.757 5.691 ( -9.043 9.157 2.908) 13.194 6.182 ( 1.718 2.500 8.764) 9.274 6.227 ( 2.296 -3.846 2.156) 4.971 7.125 ( -3.146 -0.073 -0.184) 3.152 7.218 ( -0.267 -3.958 1.827) 4.368 7.737 ( 3.374 0.155 6.738) 7.537 8.001 ( -4.160 0.972 9.157) 10.105 8.361 ( 0.215 13.271 -2.785) 13.561 9.020 ( 8.507 -6.570 1.293) 10.826 9.513 ( 0.621 4.862 7.264) 8.764 10.007 ( 7.643 11.893 4.746) 14.913 10.634 ( 0.654 2.435 5.768) 6.296 11.646 ( -2.550 14.901 -4.746) 15.845 12.202 ( 3.147 -14.813 -4.978) 15.940 12.669 ( -4.935 -1.358 -8.857) 10.230 13.195 ( 0.147 1.266 3.300) 3.538 13.639 ( -3.068 -8.193 -1.740) 8.920 14.261 ( 9.373 14.752 -2.252) 17.622 14.951 ( -3.797 -5.182 -5.627) 8.540 16.499 ( 4.028 0.449 -4.222) 5.853 17.357 ( 30.541 0.182 14.038) 33.613 18.030 ( -30.348 19.283 6.385) 36.519 19.051 ( 20.800 9.167 1.095) 22.757 19.345 ( -5.512 -13.988 2.034) 15.172 21.824 ( -11.539 -10.968 -3.617) 16.326 23.286 ( 2.157 -2.249 -10.565) 11.015 23.414 ( -1.590 -3.012 -0.647) 3.467 ======================= Grid point 136 (68/260) ======================= q-point: (-0.30 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -11.577 10.315 9.725) 18.303 2.174 ( -15.739 10.249 -7.434) 20.200 3.271 ( 4.919 -10.347 2.490) 11.724 3.524 ( 1.190 -8.477 -15.650) 17.838 3.817 ( -5.245 3.368 -0.062) 6.233 4.382 ( 0.866 2.379 -8.236) 8.616 5.253 ( -16.163 8.103 4.407) 18.610 5.450 ( 2.865 5.703 -4.875) 8.031 5.490 ( -9.111 4.547 4.651) 11.195 5.726 ( 11.635 -6.537 2.951) 13.668 6.114 ( -7.413 2.423 12.044) 14.349 6.356 ( 8.248 -5.101 -1.378) 9.796 7.089 ( -0.572 -0.600 -5.084) 5.151 7.172 ( -4.291 -5.943 1.502) 7.483 7.844 ( 6.663 -2.258 5.343) 8.834 7.926 ( -0.749 -2.018 4.197) 4.717 8.446 ( 5.413 14.611 3.713) 16.018 9.153 ( 4.290 -7.567 -1.690) 8.861 9.571 ( 4.749 5.617 3.396) 8.102 10.159 ( 6.817 9.324 0.732) 11.574 10.672 ( 3.028 6.831 12.731) 14.761 11.564 ( -5.648 11.035 -6.793) 14.135 12.191 ( -5.927 -12.515 -1.109) 13.892 12.626 ( 3.534 5.616 -11.570) 13.338 13.220 ( 1.745 -3.227 0.051) 3.669 13.552 ( -5.183 -9.789 0.229) 11.079 14.516 ( 12.423 7.663 -4.779) 15.359 14.947 ( 6.314 -3.564 -6.769) 9.919 16.711 ( 16.718 6.350 -1.011) 17.912 17.279 ( -36.103 19.393 13.732) 43.221 18.092 ( 32.961 -1.740 13.746) 35.755 19.201 ( -7.866 -16.173 3.968) 18.417 19.420 ( 14.773 6.724 1.721) 16.322 21.513 ( -18.877 -13.433 -9.345) 24.983 23.232 ( -5.305 4.723 -8.520) 11.092 23.472 ( 5.482 -5.203 -3.574) 8.360 ======================= Grid point 137 (69/260) ======================= q-point: (-0.20 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -8.130 19.569 9.065) 23.048 1.924 ( -8.569 22.142 -0.382) 23.745 3.295 ( -1.116 -6.995 3.347) 7.834 3.454 ( -6.561 -14.869 -4.195) 16.785 3.869 ( 6.215 13.263 -1.508) 14.724 4.354 ( -3.766 12.496 -2.323) 13.256 4.875 ( -18.544 6.341 -0.421) 19.603 5.350 ( -4.236 -0.232 3.918) 5.775 5.521 ( 3.550 11.117 -5.574) 12.933 5.836 ( -7.518 -9.649 23.097) 26.136 6.036 ( 6.327 -0.290 -7.121) 9.530 6.493 ( 3.946 -7.127 1.016) 8.209 7.043 ( -2.461 4.855 -2.400) 5.948 7.165 ( 3.960 -5.962 -7.600) 10.440 7.876 ( 0.727 -6.878 7.144) 9.943 8.082 ( 9.854 -3.985 5.743) 12.081 8.543 ( 3.851 11.621 5.190) 13.297 9.205 ( 1.153 -7.877 -3.390) 8.653 9.687 ( 5.949 6.316 -2.690) 9.084 10.278 ( 4.811 6.023 -6.358) 9.992 10.771 ( 5.854 13.199 19.988) 24.658 11.407 ( -9.019 5.696 -8.092) 13.388 11.983 ( -12.431 -8.701 -0.503) 15.182 12.790 ( 10.576 3.554 -10.951) 15.634 13.261 ( 2.675 -4.614 -2.876) 6.059 13.444 ( -4.729 -9.672 2.913) 11.153 14.644 ( 1.424 -0.357 -2.419) 2.829 15.275 ( 21.774 2.245 -14.900) 26.479 16.532 ( -34.454 7.293 18.078) 39.587 17.195 ( 30.289 9.762 8.736) 33.000 18.632 ( 10.934 0.428 3.150) 11.387 19.099 ( 3.648 -7.708 1.838) 8.724 19.673 ( 10.090 -1.163 10.562) 14.654 21.034 ( -27.474 -12.281 -11.517) 32.222 23.136 ( -2.667 2.286 -8.623) 9.311 23.577 ( 4.375 -0.221 -3.900) 5.865 ======================= Grid point 138 (70/260) ======================= q-point: (-0.10 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -0.194 20.313 15.496) 25.550 1.838 ( 0.873 29.629 3.236) 29.818 3.287 ( 1.103 -7.096 5.484) 9.036 3.319 ( -5.896 -2.753 2.021) 6.814 3.867 ( -8.738 16.626 8.717) 20.707 4.293 ( 0.380 21.747 -1.125) 21.780 4.554 ( -11.581 -0.901 -8.174) 14.204 5.305 ( -1.392 -4.391 5.398) 7.096 5.558 ( -0.629 12.388 -1.257) 12.468 5.665 ( -5.792 -6.297 10.670) 13.676 6.176 ( 4.815 -0.574 -3.522) 5.993 6.529 ( 0.863 -11.832 1.871) 12.010 7.033 ( 0.791 12.190 1.552) 12.313 7.279 ( 6.779 -9.272 -12.368) 16.879 7.961 ( 7.543 -7.641 12.586) 16.543 8.209 ( 1.486 -1.267 3.856) 4.323 8.614 ( 2.669 3.065 8.901) 9.785 9.214 ( 0.468 -8.378 -5.053) 9.795 9.797 ( 4.680 9.656 -9.623) 14.413 10.364 ( 4.033 3.532 -7.543) 9.254 10.850 ( -2.264 19.852 10.784) 22.705 11.253 ( -2.573 -2.487 -0.224) 3.585 11.732 ( -11.074 -7.804 0.643) 13.563 12.969 ( 5.822 -7.149 -6.571) 11.322 13.321 ( 0.378 -4.173 0.204) 4.195 13.430 ( 7.388 -3.445 -2.649) 8.571 14.649 ( -0.024 0.618 -1.458) 1.584 15.469 ( -12.757 11.045 -5.460) 17.736 16.102 ( 0.062 -13.628 5.714) 14.777 17.892 ( 28.819 3.243 15.431) 32.851 18.556 ( -4.740 -0.203 -14.019) 14.801 19.281 ( 4.412 5.187 -8.047) 10.542 19.872 ( 9.406 -7.387 20.727) 23.930 20.431 ( -27.265 -5.668 -3.207) 28.032 23.145 ( 3.683 0.385 -5.435) 6.576 23.643 ( 2.134 2.533 -4.072) 5.249 ======================= Grid point 139 (71/260) ======================= q-point: ( 0.00 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 1.749 7.091 14.100) 15.879 2.396 ( 4.759 16.298 8.607) 19.035 3.130 ( 3.116 -10.323 -6.018) 12.349 3.223 ( 4.110 -3.815 12.383) 13.594 4.083 ( -5.874 14.716 -6.019) 16.950 4.477 ( -4.792 9.551 -1.285) 10.763 4.706 ( 2.921 14.005 6.379) 15.664 5.083 ( -2.943 -19.613 13.384) 23.927 5.267 ( -5.327 -1.903 9.290) 10.877 5.833 ( -7.649 5.788 -11.519) 14.990 6.229 ( 2.515 0.947 -2.737) 3.836 6.380 ( 6.906 -7.350 5.866) 11.667 7.209 ( -2.377 5.314 -1.222) 5.948 7.300 ( 8.768 -4.100 -9.644) 13.664 8.076 ( 6.158 0.680 20.079) 21.013 8.193 ( 1.096 -2.563 4.369) 5.182 8.582 ( -4.190 -0.414 6.520) 7.761 9.130 ( 3.726 -3.593 -1.808) 5.482 10.088 ( 4.762 7.793 -7.010) 11.513 10.459 ( 3.969 -0.639 -9.457) 10.276 10.819 ( -21.262 4.768 -13.588) 25.679 11.255 ( -6.050 -0.921 -0.931) 6.190 11.567 ( 10.923 0.302 15.539) 18.997 12.770 ( 0.226 -9.467 0.009) 9.470 13.243 ( 1.520 -2.259 7.111) 7.615 13.716 ( 10.576 1.871 -9.554) 14.374 14.714 ( 4.910 1.257 -2.320) 5.574 15.167 ( -19.341 3.307 14.717) 24.527 15.985 ( 1.157 -5.381 -24.354) 24.968 17.848 ( -15.493 0.085 -2.022) 15.625 18.876 ( 9.390 3.072 -5.566) 11.339 19.116 ( -20.033 -2.779 -21.616) 29.603 20.009 ( 8.823 0.690 20.422) 22.257 20.203 ( 12.999 -2.218 14.361) 19.497 23.227 ( 4.560 -0.653 0.983) 4.710 23.704 ( -0.227 0.952 -3.667) 3.795 ======================= Grid point 140 (72/260) ======================= q-point: ( 0.10 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 5.989 5.320 15.799) 17.713 2.546 ( 8.577 14.110 11.515) 20.131 3.187 ( 2.421 -9.209 -5.333) 10.913 3.323 ( 4.222 -2.564 10.982) 12.042 3.967 ( -4.253 23.455 -3.660) 24.117 4.387 ( -4.564 -9.338 -11.859) 15.769 4.826 ( 9.071 10.067 10.488) 17.135 5.049 ( 0.046 -7.994 12.554) 14.883 5.264 ( 4.199 0.087 2.485) 4.880 5.641 ( -9.045 -3.116 -10.036) 13.866 6.241 ( -1.861 1.959 -1.778) 3.234 6.509 ( 4.614 -3.925 4.788) 7.722 7.127 ( -4.824 4.399 -4.450) 7.901 7.502 ( 10.097 -2.778 -5.265) 11.721 7.984 ( -10.435 6.595 17.097) 21.088 8.177 ( -5.254 -9.401 9.914) 14.638 8.672 ( 10.020 2.388 7.982) 13.031 9.194 ( 1.817 -3.173 2.159) 4.247 10.082 ( -5.689 10.925 -4.330) 13.056 10.379 ( -17.485 -0.858 -14.018) 22.427 10.567 ( 3.731 0.630 -2.432) 4.498 11.193 ( 1.564 -4.851 -10.867) 12.003 11.805 ( 10.544 4.022 12.220) 16.634 12.824 ( 4.642 -8.586 2.399) 10.051 13.303 ( 3.825 -1.699 7.970) 9.002 13.746 ( -7.510 0.754 -0.007) 7.547 14.843 ( 2.850 1.548 4.343) 5.421 15.132 ( 20.582 4.517 -8.166) 22.598 15.792 ( -17.549 -2.273 -24.730) 30.409 17.500 ( -16.862 2.600 0.617) 17.072 18.566 ( -29.317 -4.270 -24.162) 38.230 18.900 ( -3.200 0.778 0.331) 3.310 20.123 ( 1.598 3.145 15.818) 16.206 20.753 ( 31.550 -5.648 14.502) 35.179 23.304 ( 2.765 -0.416 3.830) 4.742 23.663 ( -3.809 -0.017 -4.682) 6.036 ======================= Grid point 141 (73/260) ======================= q-point: ( 0.20 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 9.685 5.756 16.860) 20.277 2.687 ( 2.990 11.571 13.789) 18.248 3.220 ( 0.573 -7.704 -3.839) 8.626 3.388 ( 3.350 -2.972 1.483) 4.717 3.920 ( -1.329 18.819 -5.400) 19.623 4.296 ( -2.840 -18.528 -9.228) 20.893 5.055 ( 10.812 9.077 8.435) 16.445 5.099 ( 5.036 4.565 5.513) 8.752 5.417 ( 9.751 0.486 -1.766) 9.921 5.495 ( -4.009 -9.663 -4.036) 11.213 6.150 ( -6.564 0.375 -2.804) 7.148 6.548 ( -1.330 -2.414 4.375) 5.170 7.049 ( -1.509 3.292 -5.753) 6.798 7.627 ( -2.407 -0.373 2.987) 3.854 7.813 ( -0.955 5.338 12.061) 13.224 8.046 ( -7.476 -7.447 8.240) 13.388 8.838 ( 4.437 4.601 8.879) 10.941 9.185 ( -3.124 -3.592 3.842) 6.118 9.908 ( -8.928 9.894 -2.131) 13.496 10.057 ( -12.805 -1.708 -4.173) 13.576 10.650 ( 3.297 0.534 -2.036) 3.912 11.289 ( 7.100 -4.928 -17.134) 19.190 11.984 ( 6.334 3.022 7.419) 10.213 12.925 ( 3.777 -3.524 5.079) 7.245 13.391 ( 4.155 -1.523 7.512) 8.719 13.528 ( -10.864 -1.235 4.233) 11.725 14.891 ( 2.773 2.392 6.318) 7.303 15.330 ( -20.055 4.761 -20.446) 29.033 15.841 ( 39.305 3.362 -19.886) 44.177 17.163 ( -15.935 0.895 5.156) 16.772 17.929 ( -30.156 -6.274 -20.222) 36.847 18.882 ( 1.525 0.332 0.586) 1.667 20.089 ( -5.161 4.021 13.361) 14.876 21.320 ( 22.177 -6.764 11.532) 25.895 23.355 ( 2.275 1.430 2.766) 3.856 23.543 ( -7.562 -2.511 -5.720) 9.809 ======================= Grid point 142 (74/260) ======================= q-point: ( 0.30 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 2.934 14.504 14.057) 20.410 2.659 ( -3.666 -7.745 15.032) 17.303 3.228 ( 1.622 0.032 -6.273) 6.479 3.499 ( 6.299 -7.070 -5.460) 10.930 3.881 ( -1.522 12.708 -7.182) 14.677 4.254 ( -2.332 -16.532 -2.673) 16.908 5.206 ( 5.439 12.045 6.531) 14.742 5.257 ( 6.521 2.149 -4.552) 8.238 5.448 ( 1.647 -6.113 -0.741) 6.374 5.674 ( 12.747 -0.396 -2.557) 13.007 6.008 ( -5.697 -0.784 -3.714) 6.846 6.453 ( -7.644 -2.003 4.931) 9.315 7.089 ( 5.394 1.638 -2.849) 6.316 7.501 ( -5.802 2.174 11.534) 13.093 7.815 ( -7.392 1.631 3.388) 8.293 7.959 ( 3.450 -2.524 10.413) 11.256 8.847 ( -3.367 5.030 4.416) 7.493 9.059 ( -9.092 -3.991 2.773) 10.310 9.746 ( -7.378 3.415 11.170) 13.815 9.890 ( -2.362 4.092 -7.048) 8.485 10.682 ( -0.181 -0.209 -0.821) 0.866 11.450 ( 8.925 -4.391 -17.528) 20.153 12.066 ( 1.595 2.141 2.868) 3.918 12.920 ( -5.155 1.292 3.421) 6.320 13.368 ( -3.106 -1.436 5.301) 6.309 13.483 ( 3.406 -3.678 6.459) 8.176 14.872 ( -11.081 12.042 -3.799) 16.800 15.035 ( -1.280 -4.243 -1.185) 4.588 16.530 ( 15.758 13.601 -22.918) 30.961 16.901 ( -8.266 -12.946 -1.964) 15.485 17.492 ( -1.221 -0.660 -6.403) 6.552 18.940 ( 3.369 -0.377 -0.105) 3.392 19.924 ( -11.282 4.130 11.919) 16.923 21.675 ( 12.748 -6.244 9.523) 17.093 23.315 ( -9.416 0.200 -8.070) 12.402 23.447 ( 2.011 -2.328 1.007) 3.237 ======================= Grid point 143 (75/260) ======================= q-point: ( 0.40 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -11.950 6.245 13.210) 18.876 2.668 ( 2.025 -11.377 10.343) 15.509 3.272 ( 1.272 4.676 -12.140) 13.071 3.571 ( 0.383 1.220 -9.325) 9.412 3.908 ( 4.891 0.881 -3.031) 5.821 4.172 ( -5.651 -14.314 -2.622) 15.611 5.255 ( 0.559 1.685 -2.361) 2.954 5.346 ( 2.309 4.779 5.928) 7.957 5.561 ( 7.628 0.583 -7.443) 10.674 5.874 ( 4.765 1.847 -3.365) 6.119 5.990 ( 5.577 -0.703 -1.594) 5.843 6.277 ( -8.506 -2.096 4.342) 9.778 7.213 ( 3.574 0.237 2.867) 4.587 7.418 ( -2.903 3.815 10.677) 11.704 7.648 ( -5.164 -0.762 3.091) 6.067 8.062 ( 4.183 1.883 13.068) 13.850 8.747 ( -5.132 1.112 -1.494) 5.459 8.841 ( -10.814 -1.077 1.849) 11.024 9.626 ( -4.395 1.312 14.640) 15.341 9.926 ( 4.788 6.077 -3.148) 8.353 10.651 ( -2.371 -1.154 0.081) 2.638 11.642 ( 10.212 -3.788 -14.857) 18.422 12.063 ( -1.564 3.983 -0.176) 4.283 12.758 ( -9.011 -2.394 -1.407) 9.430 13.351 ( -0.131 2.276 6.699) 7.077 13.538 ( 1.523 -5.009 3.283) 6.179 14.620 ( -10.433 11.182 -1.670) 15.385 15.060 ( -0.397 -2.711 -1.513) 3.129 16.533 ( -3.673 2.577 -2.169) 4.984 16.683 ( -7.998 -5.728 -9.452) 13.643 17.996 ( 35.791 4.366 -8.138) 36.963 18.994 ( 1.264 1.056 -0.242) 1.664 19.631 ( -17.627 2.082 10.834) 20.795 21.867 ( 5.514 -4.393 7.737) 10.467 23.108 ( -8.361 -5.000 -9.701) 13.749 23.504 ( 2.321 1.070 -0.638) 2.634 ======================= Grid point 144 (76/260) ======================= q-point: (-0.50 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( -3.689 -3.308 11.902) 12.893 2.657 ( -4.207 -5.987 4.587) 8.636 3.224 ( -5.022 5.019 -16.381) 17.853 3.556 ( -1.093 5.469 -10.786) 12.143 4.031 ( -2.510 -7.437 -0.876) 7.897 4.051 ( 3.449 -9.491 -4.230) 10.949 5.280 ( 2.470 0.720 -2.843) 3.834 5.384 ( 2.053 1.939 6.967) 7.518 5.672 ( 2.173 1.844 -7.578) 8.096 5.919 ( -0.067 3.512 -3.097) 4.683 6.134 ( 4.432 0.705 3.701) 5.817 6.151 ( -0.885 -2.567 1.997) 3.371 7.153 ( -6.788 -0.828 1.492) 6.999 7.358 ( -4.318 2.726 8.903) 10.264 7.669 ( 4.251 0.322 6.397) 7.687 8.099 ( -1.469 2.220 13.349) 13.612 8.623 ( -4.974 6.163 -4.622) 9.170 8.751 ( 2.412 -5.565 1.382) 6.221 9.571 ( -1.521 1.036 12.934) 13.064 10.050 ( 6.651 6.204 2.131) 9.342 10.613 ( -0.711 -1.475 1.051) 1.945 11.848 ( 9.649 -3.632 -10.182) 14.490 12.012 ( -3.268 8.193 -1.709) 8.985 12.598 ( -5.583 -7.928 -6.699) 11.785 13.333 ( -2.098 5.547 5.767) 8.272 13.539 ( -1.575 -6.603 0.585) 6.814 14.476 ( -2.925 10.420 -0.194) 10.824 14.979 ( -6.671 -3.457 -7.938) 10.930 16.451 ( -1.522 -2.674 -5.446) 6.255 16.802 ( 17.966 0.314 9.878) 20.505 18.674 ( 28.329 7.020 -9.135) 30.582 18.935 ( -10.377 12.054 3.133) 16.211 19.242 ( -16.983 -11.005 7.412) 21.552 21.878 ( -5.126 -3.157 3.304) 6.867 23.033 ( 2.231 -6.564 -7.823) 10.453 23.519 ( -1.127 2.051 -2.283) 3.269 ======================= Grid point 145 (77/260) ======================= q-point: (-0.40 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 7.523 0.541 7.806) 10.854 2.491 ( -11.246 -2.982 0.386) 11.641 3.114 ( -4.212 1.567 -12.635) 13.411 3.491 ( -5.529 -2.048 -13.910) 15.108 3.941 ( -1.610 2.572 -1.039) 3.207 4.196 ( 7.087 -8.919 -3.426) 11.896 5.358 ( 5.023 -1.282 -0.661) 5.226 5.448 ( 3.647 1.310 8.237) 9.103 5.620 ( -7.059 1.612 -3.795) 8.175 5.843 ( -6.947 4.563 -3.399) 8.980 6.149 ( 3.984 -2.177 -2.862) 5.367 6.240 ( 0.754 1.437 11.246) 11.362 7.051 ( -1.460 -3.029 -1.807) 3.818 7.244 ( -6.707 1.890 4.092) 8.081 7.738 ( 2.801 0.042 8.541) 8.989 8.014 ( -6.345 0.373 7.537) 9.860 8.624 ( 4.147 13.355 -0.892) 14.013 8.859 ( 6.659 -10.224 -0.291) 12.205 9.573 ( 1.487 1.476 9.832) 10.053 10.179 ( 5.651 5.064 2.632) 8.031 10.639 ( 3.352 -0.344 5.297) 6.278 11.923 ( -5.067 7.752 -2.110) 9.498 11.999 ( 3.620 -2.510 -4.608) 6.375 12.559 ( 2.747 -7.029 -12.788) 14.849 13.270 ( -3.924 5.720 4.131) 8.073 13.475 ( -4.427 -7.968 0.128) 9.116 14.516 ( 6.782 9.932 -4.564) 12.864 14.835 ( -5.778 -5.944 -8.859) 12.132 16.523 ( 8.875 1.223 -5.110) 10.314 17.342 ( 32.747 -0.797 19.657) 38.202 18.406 ( -35.186 16.429 9.791) 40.048 19.031 ( -5.316 -12.461 3.472) 13.986 19.201 ( 18.967 2.286 -8.885) 21.069 21.676 ( -13.627 -4.135 -2.750) 14.504 23.173 ( 10.087 -4.241 -4.772) 11.937 23.450 ( -5.497 1.942 -3.908) 7.019 ======================= Grid point 146 (78/260) ======================= q-point: (-0.30 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -7.862 10.068 5.286) 13.824 2.331 ( 2.106 5.183 -0.132) 5.596 3.067 ( -0.002 -9.035 -7.360) 11.653 3.337 ( -7.951 -6.442 -10.184) 14.437 3.979 ( 4.932 9.118 -2.584) 10.684 4.335 ( 6.495 -5.632 -3.844) 9.417 5.372 ( -14.081 3.543 4.740) 15.274 5.477 ( -2.230 -1.012 15.108) 15.305 5.495 ( 3.612 -0.340 0.431) 3.654 5.730 ( -0.094 2.222 -12.465) 12.662 6.143 ( -9.175 0.723 14.808) 17.435 6.285 ( 8.070 -2.098 -4.050) 9.270 7.087 ( -0.625 0.753 -2.904) 3.065 7.113 ( -1.061 -1.681 -1.148) 2.295 7.831 ( 4.872 0.659 6.046) 7.792 7.880 ( -4.665 -2.328 4.877) 7.139 8.722 ( 4.114 13.334 2.518) 14.180 8.980 ( 4.571 -10.300 -1.994) 11.444 9.642 ( 5.002 1.827 5.688) 7.792 10.280 ( 4.124 3.052 -4.158) 6.604 10.752 ( 7.348 2.214 14.446) 16.358 11.787 ( -8.185 10.495 -3.792) 13.839 11.976 ( -5.698 -9.437 -2.513) 11.306 12.693 ( 9.286 1.210 -13.249) 16.225 13.192 ( -3.127 1.149 1.685) 3.733 13.374 ( -4.932 -7.467 1.177) 9.026 14.653 ( 1.302 5.885 -7.556) 9.666 14.858 ( 13.652 -4.783 -10.516) 17.884 16.815 ( 19.721 3.409 -0.975) 20.037 17.581 ( -43.430 9.537 13.079) 46.349 18.102 ( 38.052 2.358 23.859) 44.975 18.895 ( -7.409 -11.990 -1.290) 14.153 19.521 ( 11.782 2.888 -4.361) 12.891 21.339 ( -19.038 -4.620 -6.899) 20.769 23.298 ( -7.090 2.150 -6.669) 9.968 23.397 ( 9.641 -2.432 -2.738) 10.313 ======================= Grid point 147 (79/260) ======================= q-point: (-0.20 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -6.549 7.773 9.407) 13.849 2.370 ( -0.180 21.170 -0.020) 21.171 3.078 ( 0.272 -17.759 -5.201) 18.507 3.204 ( -4.027 -4.236 -1.768) 6.106 4.112 ( 6.717 9.351 -4.254) 12.274 4.456 ( 5.201 -0.203 -5.539) 7.601 5.037 ( -17.028 6.811 8.727) 20.311 5.300 ( -9.456 -2.418 12.530) 15.883 5.670 ( 9.701 3.334 -1.801) 10.415 5.705 ( -8.245 -3.048 16.992) 19.132 6.026 ( 2.165 -0.668 -6.223) 6.623 6.392 ( 0.318 -2.867 -0.897) 3.021 7.043 ( 2.480 -2.066 -14.733) 15.082 7.186 ( 2.992 3.823 2.693) 5.552 7.761 ( -2.333 -3.980 6.233) 7.754 8.023 ( 9.216 -1.733 6.594) 11.463 8.766 ( -0.278 10.274 5.164) 11.502 9.040 ( 1.592 -8.522 -4.075) 9.579 9.775 ( 7.663 2.558 0.528) 8.096 10.345 ( 2.552 1.345 -10.971) 11.344 10.950 ( 11.236 4.996 21.399) 24.680 11.573 ( -12.842 10.872 -7.195) 18.300 11.790 ( -11.368 -11.085 -2.407) 16.059 12.840 ( 2.584 1.333 -5.325) 6.067 13.198 ( 6.004 -1.524 -6.049) 8.658 13.289 ( -3.147 -5.166 3.060) 6.779 14.645 ( -0.082 0.235 -4.757) 4.764 15.274 ( 23.877 -0.848 -17.566) 29.654 16.663 ( -44.863 4.589 18.081) 48.586 17.329 ( 29.730 3.736 7.496) 30.887 18.654 ( -2.914 1.444 -6.090) 6.904 18.935 ( 27.234 -6.631 16.334) 32.442 19.679 ( 3.802 0.682 0.688) 3.924 20.886 ( -24.681 -3.600 -7.186) 25.956 23.164 ( -4.349 0.674 -7.115) 8.366 23.574 ( 6.948 -0.099 -2.893) 7.527 ======================= Grid point 148 (80/260) ======================= q-point: (-0.10 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -1.403 8.043 13.070) 15.411 2.354 ( -0.328 20.844 3.770) 21.185 3.082 ( 1.188 -14.424 -5.933) 15.642 3.173 ( 0.425 -3.878 7.316) 8.291 4.175 ( -1.481 8.760 -7.244) 11.463 4.532 ( 1.620 5.865 -5.807) 8.411 4.749 ( -9.458 15.549 12.960) 22.342 5.153 ( -4.980 -11.011 11.091) 16.403 5.462 ( -12.722 -5.020 19.836) 24.094 5.856 ( 6.345 9.901 -5.835) 13.127 6.150 ( 6.704 -2.796 -7.493) 10.436 6.321 ( -3.715 -7.338 2.534) 8.606 7.150 ( 6.386 -3.637 -15.913) 17.528 7.226 ( 0.963 6.290 1.565) 6.553 7.837 ( 9.920 -4.281 11.540) 15.808 8.169 ( 3.809 -1.632 7.183) 8.293 8.707 ( -5.522 4.601 7.724) 10.551 9.068 ( 2.037 -5.659 -5.129) 7.904 9.943 ( 8.376 4.655 -4.737) 10.690 10.392 ( 2.732 0.058 -11.638) 11.955 11.204 ( 11.266 6.358 18.492) 22.568 11.244 ( -18.511 10.617 -10.865) 23.947 11.554 ( -10.096 -11.080 0.805) 15.011 12.808 ( -3.213 -6.328 -0.736) 7.135 13.239 ( -1.224 -2.986 5.173) 6.097 13.435 ( 14.551 1.410 -10.848) 18.204 14.659 ( 1.503 0.321 -2.886) 3.270 15.666 ( -3.400 9.341 -9.352) 13.649 15.872 ( -15.341 -10.237 6.992) 19.724 17.916 ( 17.854 0.133 14.342) 22.901 18.567 ( 5.273 0.701 -17.256) 18.057 19.352 ( 3.161 1.952 -9.689) 10.377 19.767 ( 9.732 -3.062 20.713) 23.089 20.369 ( -22.659 -1.372 0.507) 22.707 23.144 ( 2.481 -0.141 -4.117) 4.809 23.676 ( 3.126 0.886 -3.122) 4.505 ======================= Grid point 189 (81/260) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -11.848 0.000 31.264) 33.434 1.473 ( 5.610 0.000 35.600) 36.039 2.299 ( 11.768 0.000 44.092) 45.636 3.657 ( 3.869 0.000 15.695) 16.164 3.838 ( 10.596 0.000 2.878) 10.980 4.164 ( -4.960 0.000 0.054) 4.960 4.382 ( 7.820 0.000 -4.048) 8.806 4.688 ( 9.242 0.000 -13.520) 16.377 5.341 ( 12.238 0.000 -16.072) 20.201 5.517 ( -1.949 0.000 7.746) 7.987 6.322 ( -10.040 0.000 -2.669) 10.388 6.552 ( -14.778 0.000 23.217) 27.521 7.242 ( -4.100 0.000 4.893) 6.384 7.509 ( 0.179 0.000 -22.090) 22.090 7.999 ( -2.915 0.000 6.615) 7.229 8.704 ( 7.269 0.000 -10.093) 12.438 8.821 ( -3.003 0.000 -2.658) 4.011 9.164 ( -4.857 0.000 3.015) 5.717 9.335 ( 5.008 0.000 -4.163) 6.512 10.087 ( 12.665 0.000 2.116) 12.841 10.697 ( 2.337 0.000 -13.335) 13.538 11.437 ( -0.793 0.000 -17.441) 17.459 11.739 ( 5.632 0.000 11.115) 12.460 12.849 ( 1.170 0.000 -1.486) 1.891 13.676 ( -5.252 0.000 4.985) 7.241 13.742 ( 12.101 0.000 -7.202) 14.082 14.764 ( -8.134 0.000 5.478) 9.806 14.970 ( 7.200 0.000 -2.183) 7.524 16.884 ( 3.578 0.000 -8.227) 8.971 17.437 ( -73.520 0.000 -8.706) 74.034 18.557 ( -5.917 0.000 2.960) 6.616 19.103 ( 1.316 0.000 -1.967) 2.366 20.487 ( -16.120 0.000 17.856) 24.056 22.000 ( 70.954 0.000 -7.031) 71.301 22.237 ( 9.727 0.000 6.070) 11.465 23.441 ( -4.417 0.000 -5.954) 7.414 ======================= Grid point 190 (82/260) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 8.903 0.000 29.920) 31.217 1.606 ( 12.086 0.000 27.606) 30.135 2.777 ( 26.229 0.000 27.122) 37.730 3.758 ( 5.767 0.000 21.498) 22.258 3.982 ( -0.393 0.000 11.454) 11.461 4.157 ( 7.462 0.000 -18.536) 19.982 4.543 ( 7.287 0.000 -11.492) 13.607 4.839 ( 6.013 0.000 -5.505) 8.152 5.492 ( -1.062 0.000 8.908) 8.971 5.699 ( 21.113 0.000 -15.503) 26.193 6.189 ( -2.841 0.000 -3.385) 4.419 6.218 ( -17.765 0.000 19.406) 26.309 7.155 ( -4.462 0.000 2.979) 5.365 7.478 ( -1.625 0.000 -20.986) 21.049 7.882 ( -7.989 0.000 5.630) 9.774 8.742 ( -6.214 0.000 2.613) 6.741 8.770 ( -2.080 0.000 1.886) 2.807 9.080 ( -0.483 0.000 -6.553) 6.571 9.415 ( 2.541 0.000 -2.996) 3.928 10.250 ( 1.449 0.000 5.607) 5.791 10.671 ( -4.860 0.000 -10.851) 11.890 11.483 ( 5.827 0.000 -18.550) 19.444 11.879 ( 7.140 0.000 1.024) 7.213 12.856 ( -0.573 0.000 0.362) 0.678 13.606 ( -1.773 0.000 5.756) 6.023 13.875 ( -1.123 0.000 -6.837) 6.928 14.634 ( -3.435 0.000 3.033) 4.582 14.979 ( -7.063 0.000 -4.319) 8.279 15.879 ( -59.031 0.000 30.097) 66.261 16.906 ( 0.992 0.000 -2.451) 2.644 18.575 ( 6.628 0.000 -1.362) 6.766 19.126 ( -1.074 0.000 -0.081) 1.077 20.027 ( -27.701 0.000 13.241) 30.703 22.476 ( 12.069 0.000 8.072) 14.520 23.225 ( 31.009 0.000 -21.028) 37.466 23.305 ( 1.264 0.000 -13.207) 13.268 ======================= Grid point 191 (83/260) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 22.079 0.000 23.356) 32.141 1.989 ( 22.439 0.000 11.549) 25.237 3.247 ( 17.564 0.000 9.732) 20.080 3.900 ( 6.845 0.000 12.379) 14.145 3.939 ( -2.087 0.000 4.270) 4.752 4.313 ( 5.835 0.000 -29.218) 29.795 4.721 ( 11.614 0.000 2.255) 11.831 4.964 ( 6.889 0.000 8.640) 11.050 5.424 ( -8.724 0.000 10.804) 13.886 5.905 ( -9.813 0.000 12.612) 15.980 5.996 ( 2.891 0.000 -7.962) 8.471 6.288 ( 15.897 0.000 -12.666) 20.326 7.070 ( -3.456 0.000 3.090) 4.636 7.456 ( 0.259 0.000 -16.384) 16.386 7.702 ( -9.235 0.000 3.754) 9.969 8.464 ( -18.798 0.000 8.040) 20.446 8.717 ( -3.551 0.000 3.766) 5.176 9.127 ( 3.456 0.000 -4.732) 5.860 9.441 ( 0.293 0.000 -6.195) 6.202 10.103 ( -15.685 0.000 0.898) 15.711 10.561 ( -3.708 0.000 15.874) 16.302 11.654 ( 10.915 0.000 -18.898) 21.823 11.989 ( 2.916 0.000 0.187) 2.922 12.820 ( -3.208 0.000 3.359) 4.645 13.602 ( 1.267 0.000 5.226) 5.377 13.685 ( -14.399 0.000 -2.634) 14.638 14.607 ( 0.080 0.000 0.788) 0.792 14.692 ( -19.016 0.000 -7.979) 20.622 15.328 ( 0.894 0.000 19.815) 19.835 17.005 ( 9.245 0.000 4.445) 10.258 18.718 ( 2.104 0.000 -7.389) 7.682 19.025 ( -9.015 0.000 2.617) 9.387 19.451 ( -23.953 0.000 13.110) 27.306 22.700 ( 8.930 0.000 8.426) 12.278 23.046 ( -12.211 0.000 -8.319) 14.775 23.780 ( 14.508 0.000 -21.873) 26.247 ======================= Grid point 192 (84/260) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 25.048 0.000 17.872) 30.770 2.457 ( 21.826 0.000 0.383) 21.829 3.450 ( 0.412 0.000 4.304) 4.324 3.907 ( -1.571 0.000 0.754) 1.743 4.046 ( 8.811 0.000 -11.707) 14.653 4.369 ( 1.370 0.000 -35.489) 35.515 5.024 ( 15.965 0.000 16.051) 22.639 5.092 ( -20.725 0.000 12.480) 24.192 5.132 ( 8.247 0.000 13.235) 15.594 5.899 ( 7.062 0.000 7.579) 10.359 5.940 ( -6.172 0.000 -1.496) 6.351 6.652 ( 17.144 0.000 -15.253) 22.947 7.040 ( 0.634 0.000 8.775) 8.798 7.463 ( -0.392 0.000 -11.561) 11.567 7.520 ( -8.091 0.000 1.795) 8.288 8.043 ( -20.696 0.000 11.124) 23.496 8.630 ( -4.286 0.000 0.737) 4.349 9.194 ( 3.247 0.000 -1.050) 3.413 9.427 ( -1.438 0.000 -8.474) 8.595 9.709 ( -20.458 0.000 8.955) 22.332 10.533 ( -0.218 0.000 27.354) 27.355 11.897 ( 12.448 0.000 -17.758) 21.686 12.006 ( -0.784 0.000 2.885) 2.990 12.720 ( -6.375 0.000 4.879) 8.027 13.373 ( -15.103 0.000 -4.295) 15.702 13.661 ( 4.234 0.000 2.556) 4.945 14.277 ( -19.517 0.000 -8.477) 21.279 14.675 ( 6.601 0.000 -2.544) 7.075 15.626 ( 22.730 0.000 5.263) 23.331 17.276 ( 16.360 0.000 8.424) 18.401 18.375 ( -31.229 0.000 -4.549) 31.559 18.757 ( -16.889 0.000 4.584) 17.500 19.336 ( 8.819 0.000 7.918) 11.852 22.808 ( -10.125 0.000 -10.293) 14.438 22.833 ( 3.554 0.000 8.191) 8.928 23.939 ( 3.071 0.000 -16.883) 17.160 ======================= Grid point 193 (85/260) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 22.298 0.000 13.199) 25.912 2.857 ( 16.858 0.000 -6.126) 17.937 3.260 ( -17.424 0.000 -3.846) 17.844 3.851 ( -4.280 0.000 -0.203) 4.285 4.270 ( 12.097 0.000 -16.826) 20.723 4.357 ( -3.511 0.000 -28.258) 28.475 4.662 ( -17.687 0.000 4.948) 18.366 5.270 ( 3.767 0.000 7.245) 8.166 5.340 ( 11.467 0.000 9.296) 14.761 5.792 ( -5.631 0.000 4.528) 7.226 6.117 ( 12.599 0.000 8.399) 15.142 6.892 ( 1.271 0.000 -4.933) 5.094 7.115 ( 8.244 0.000 14.782) 16.926 7.320 ( -15.255 0.000 -6.132) 16.441 7.427 ( 2.004 0.000 -0.854) 2.178 7.761 ( -4.299 0.000 11.451) 12.231 8.589 ( 1.344 0.000 -5.428) 5.592 9.264 ( 3.329 0.000 1.625) 3.705 9.314 ( -18.036 0.000 15.128) 23.540 9.374 ( -3.414 0.000 -10.237) 10.791 10.551 ( 0.797 0.000 32.775) 32.784 11.972 ( -2.539 0.000 3.782) 4.555 12.092 ( 4.360 0.000 -9.886) 10.805 12.628 ( 0.562 0.000 -2.297) 2.365 13.083 ( -12.427 0.000 -7.846) 14.697 13.742 ( 0.650 0.000 -9.418) 9.440 13.951 ( -9.086 0.000 3.034) 9.579 14.842 ( 8.821 0.000 -2.336) 9.125 16.159 ( 27.651 0.000 -1.523) 27.692 17.586 ( -6.410 0.000 2.175) 6.769 17.769 ( -5.455 0.000 4.809) 7.272 18.361 ( -20.916 0.000 5.560) 21.642 19.581 ( 12.894 0.000 7.279) 14.807 22.635 ( -6.339 0.000 -13.154) 14.601 22.849 ( -2.111 0.000 7.502) 7.793 23.932 ( -2.818 0.000 -15.119) 15.379 ======================= Grid point 194 (86/260) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( -27.537 0.000 -11.123) 29.699 2.990 ( 13.984 0.000 9.464) 16.886 3.155 ( 11.559 0.000 -6.289) 13.159 3.732 ( -6.655 0.000 2.615) 7.150 4.094 ( -17.371 0.000 -3.914) 17.806 4.476 ( 7.325 0.000 -16.059) 17.651 4.512 ( -0.452 0.000 -20.439) 20.444 5.102 ( -16.797 0.000 -7.332) 18.327 5.601 ( 12.679 0.000 8.843) 15.458 5.758 ( -2.177 0.000 11.590) 11.793 6.379 ( 11.855 0.000 8.487) 14.580 6.744 ( -9.865 0.000 12.669) 16.057 6.978 ( -13.907 0.000 -3.276) 14.288 7.281 ( 6.453 0.000 -1.907) 6.729 7.684 ( 20.160 0.000 8.509) 21.882 7.787 ( 4.409 0.000 9.776) 10.724 8.653 ( 0.671 0.000 -5.645) 5.685 9.011 ( -8.445 0.000 12.719) 15.267 9.255 ( -5.504 0.000 -3.437) 6.489 9.349 ( 2.360 0.000 -5.241) 5.748 10.574 ( 0.227 0.000 35.666) 35.667 11.899 ( -4.965 0.000 4.168) 6.483 12.044 ( -6.223 0.000 -1.271) 6.351 12.779 ( 11.168 0.000 -10.959) 15.647 12.886 ( -5.959 0.000 -10.783) 12.320 13.614 ( -6.592 0.000 -15.245) 16.609 13.969 ( 4.830 0.000 9.212) 10.401 15.009 ( 6.973 0.000 0.246) 6.978 16.700 ( 23.238 0.000 -1.488) 23.285 17.061 ( -24.829 0.000 -3.821) 25.122 17.966 ( -15.297 0.000 4.741) 16.015 18.149 ( 22.744 0.000 9.787) 24.760 19.837 ( 11.385 0.000 11.805) 16.401 22.532 ( -3.666 0.000 -17.627) 18.004 22.758 ( -6.669 0.000 6.174) 9.088 23.830 ( -6.392 0.000 -14.329) 15.690 ======================= Grid point 195 (87/260) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -32.823 0.000 -10.528) 34.470 3.060 ( -9.938 0.000 15.792) 18.659 3.343 ( 6.963 0.000 -5.610) 8.941 3.666 ( 0.484 0.000 0.335) 0.588 3.812 ( -6.484 0.000 -8.579) 10.754 4.432 ( -17.213 0.000 -4.301) 17.742 4.503 ( -0.550 0.000 -17.666) 17.674 4.812 ( -3.894 0.000 -18.266) 18.676 5.552 ( -18.201 0.000 10.276) 20.901 5.789 ( 3.417 0.000 11.938) 12.417 6.586 ( 8.895 0.000 7.352) 11.540 6.655 ( 1.398 0.000 11.396) 11.481 6.864 ( 3.563 0.000 -4.913) 6.069 7.419 ( 7.353 0.000 -4.284) 8.510 7.920 ( 8.089 0.000 7.295) 10.893 8.122 ( 20.038 0.000 11.852) 23.281 8.442 ( -16.656 0.000 8.826) 18.850 9.107 ( 12.735 0.000 -3.256) 13.144 9.123 ( -6.514 0.000 -3.720) 7.501 9.384 ( 0.891 0.000 -4.994) 5.073 10.576 ( -1.144 0.000 33.525) 33.545 11.775 ( -6.731 0.000 5.953) 8.986 11.913 ( -5.918 0.000 -3.744) 7.002 12.843 ( 2.022 0.000 -11.366) 11.544 12.925 ( 1.037 0.000 -7.620) 7.690 13.626 ( 9.995 0.000 -14.361) 17.496 14.050 ( 2.235 0.000 7.224) 7.562 15.110 ( 2.575 0.000 2.353) 3.488 16.660 ( -13.664 0.000 -4.328) 14.334 17.002 ( 4.720 0.000 12.473) 13.337 17.877 ( 8.936 0.000 -3.882) 9.743 18.608 ( 20.656 0.000 6.774) 21.738 20.050 ( 9.087 0.000 19.341) 21.369 22.449 ( -4.728 0.000 -25.400) 25.836 22.593 ( -9.236 0.000 4.186) 10.140 23.678 ( -7.418 0.000 -12.184) 14.264 ======================= Grid point 196 (88/260) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -30.999 0.000 -3.139) 31.157 2.689 ( -23.587 0.000 22.653) 32.704 3.444 ( 3.196 0.000 -2.677) 4.169 3.587 ( -4.178 0.000 -8.460) 9.435 3.885 ( -31.938 0.000 11.104) 33.813 3.927 ( 11.578 0.000 -6.480) 13.268 4.472 ( -2.085 0.000 -11.494) 11.682 4.821 ( -0.994 0.000 -16.593) 16.622 5.143 ( -16.651 0.000 -1.406) 16.710 5.756 ( -4.958 0.000 11.032) 12.095 6.734 ( 4.001 0.000 6.013) 7.223 6.794 ( 9.450 0.000 14.048) 16.930 7.024 ( 10.463 0.000 -8.997) 13.799 7.562 ( 5.366 0.000 -3.930) 6.652 8.059 ( -16.295 0.000 11.556) 19.976 8.112 ( 10.233 0.000 -1.657) 10.366 8.519 ( 15.171 0.000 10.207) 18.285 9.018 ( -2.803 0.000 1.297) 3.088 9.382 ( -0.794 0.000 -7.598) 7.640 9.392 ( 13.819 0.000 -5.351) 14.819 10.553 ( -1.566 0.000 24.724) 24.773 11.654 ( -4.687 0.000 12.031) 12.912 11.794 ( -5.938 0.000 -8.918) 10.714 12.868 ( -4.016 0.000 -4.372) 5.936 12.948 ( 8.131 0.000 -9.870) 12.788 13.948 ( 18.197 0.000 -14.533) 23.288 14.056 ( -0.930 0.000 8.853) 8.901 15.113 ( -2.206 0.000 3.722) 4.326 16.501 ( -1.961 0.000 -5.100) 5.464 17.056 ( 5.029 0.000 26.817) 27.285 18.219 ( 20.594 0.000 -7.429) 21.893 18.943 ( 10.242 0.000 2.395) 10.518 20.242 ( 9.654 0.000 27.503) 29.149 22.274 ( -12.846 0.000 -37.064) 39.227 22.397 ( -9.600 0.000 2.033) 9.813 23.544 ( -4.761 0.000 -7.501) 8.885 ======================= Grid point 197 (89/260) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -10.337 0.000 20.159) 22.655 2.173 ( -26.499 0.000 24.783) 36.282 3.168 ( -34.844 0.000 22.105) 41.264 3.519 ( 2.016 0.000 6.961) 7.247 3.555 ( 1.520 0.000 -5.017) 5.242 4.173 ( 11.560 0.000 -4.847) 12.535 4.415 ( -2.573 0.000 -9.645) 9.982 4.580 ( -16.373 0.000 2.363) 16.543 5.070 ( 4.722 0.000 -25.201) 25.639 5.652 ( -4.879 0.000 8.448) 9.756 6.757 ( -3.274 0.000 -0.126) 3.276 6.894 ( -0.760 0.000 23.715) 23.727 7.262 ( 11.914 0.000 -15.566) 19.602 7.516 ( -9.977 0.000 3.133) 10.457 7.904 ( 2.130 0.000 7.417) 7.716 8.324 ( 10.355 0.000 -13.808) 17.260 8.768 ( 8.604 0.000 5.166) 10.035 9.030 ( 3.745 0.000 10.138) 10.807 9.352 ( -1.844 0.000 -10.708) 10.865 9.634 ( 9.599 0.000 -4.489) 10.597 10.550 ( 1.427 0.000 12.729) 12.809 11.607 ( -0.247 0.000 18.994) 18.995 11.656 ( -7.024 0.000 -13.108) 14.871 12.811 ( -1.061 0.000 -2.974) 3.157 13.162 ( 12.743 0.000 -7.287) 14.679 13.955 ( -6.206 0.000 3.111) 6.942 14.367 ( 19.410 0.000 -5.663) 20.220 15.038 ( -4.842 0.000 5.310) 7.186 16.558 ( 6.983 0.000 -6.631) 9.630 17.351 ( 24.406 0.000 32.120) 40.341 18.642 ( 20.275 0.000 -2.612) 20.443 18.990 ( -5.503 0.000 1.436) 5.687 20.472 ( 11.083 0.000 29.938) 31.924 21.851 ( -27.566 0.000 -45.136) 52.888 22.216 ( -7.459 0.000 0.804) 7.502 23.489 ( -0.752 0.000 -3.826) 3.899 ======================= Grid point 198 (90/260) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 19.161 0.000 38.456) 42.965 1.653 ( -23.816 0.000 27.473) 36.359 2.502 ( -27.526 0.000 39.113) 47.828 3.579 ( 3.340 0.000 9.831) 10.383 3.646 ( 7.260 0.000 -0.829) 7.307 4.267 ( -3.706 0.000 6.145) 7.176 4.337 ( -5.368 0.000 4.439) 6.966 4.480 ( 10.361 0.000 -18.163) 20.910 5.178 ( 6.086 0.000 -23.656) 24.426 5.569 ( -3.387 0.000 7.062) 7.832 6.577 ( -12.878 0.000 -3.187) 13.266 6.794 ( -9.129 0.000 25.190) 26.793 7.337 ( -6.152 0.000 6.857) 9.213 7.452 ( 6.384 0.000 -19.344) 20.370 7.988 ( 3.373 0.000 5.948) 6.838 8.526 ( 9.766 0.000 -17.034) 19.635 8.863 ( 0.500 0.000 -2.335) 2.388 9.149 ( 5.964 0.000 17.529) 18.516 9.303 ( -2.141 0.000 -15.481) 15.628 9.825 ( 10.896 0.000 -0.995) 10.942 10.620 ( 4.479 0.000 -0.017) 4.479 11.515 ( -5.744 0.000 -15.681) 16.700 11.646 ( 3.121 0.000 19.018) 19.272 12.818 ( 1.442 0.000 -2.322) 2.734 13.452 ( 15.138 0.000 -5.961) 16.269 13.809 ( -7.445 0.000 4.020) 8.461 14.729 ( 15.411 0.000 -3.308) 15.762 14.921 ( -6.868 0.000 6.165) 9.229 16.740 ( 9.592 0.000 -8.559) 12.855 17.958 ( 21.600 0.000 4.757) 22.118 18.777 ( -13.143 0.000 3.244) 13.537 19.032 ( 14.410 0.000 2.600) 14.643 20.633 ( 1.422 0.000 25.311) 25.351 21.270 ( -13.572 0.000 -22.635) 26.392 22.128 ( 0.015 0.000 2.241) 2.241 23.485 ( -0.317 0.000 -3.974) 3.986 ======================= Grid point 199 (91/260) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 1.639 11.749 28.064) 30.468 1.672 ( 5.757 14.720 32.556) 36.190 2.503 ( 0.475 21.163 37.887) 43.399 3.667 ( 2.363 -3.217 2.155) 4.536 3.830 ( 11.127 3.795 9.632) 15.198 4.026 ( -3.944 -7.646 8.161) 11.858 4.421 ( 7.072 -1.955 -5.324) 9.066 4.802 ( 5.590 12.575 -11.887) 18.185 5.416 ( 10.272 6.537 -16.076) 20.166 5.536 ( -2.480 0.769 8.562) 8.947 6.376 ( -7.606 5.424 -2.093) 9.574 6.532 ( -13.140 -1.493 20.233) 24.172 7.179 ( -1.115 -5.861 6.833) 9.071 7.484 ( 0.515 -3.857 -19.462) 19.848 8.009 ( -3.145 2.199 3.467) 5.171 8.636 ( 6.964 -4.573 1.744) 8.512 8.886 ( -0.134 4.414 -13.077) 13.802 9.138 ( -7.978 -1.617 3.499) 8.860 9.314 ( 5.072 -2.090 -3.399) 6.454 10.166 ( 10.305 6.881 0.516) 12.402 10.638 ( 0.930 -4.494 -9.113) 10.203 11.507 ( -2.285 5.030 -16.498) 17.398 11.681 ( 4.755 -5.090 12.531) 14.337 12.926 ( 6.196 7.142 -4.103) 10.307 13.634 ( 0.984 -5.160 2.105) 5.659 13.733 ( 4.476 -0.697 -2.048) 4.971 14.693 ( -2.853 -5.985 5.147) 8.394 14.946 ( -1.507 -1.516 -3.597) 4.184 16.736 ( -10.627 -14.635 -0.602) 18.097 17.448 ( -53.290 2.054 -13.211) 54.942 18.584 ( 0.303 2.669 1.097) 2.902 19.105 ( -0.473 -0.481 -3.327) 3.395 20.447 ( -14.485 -3.775 17.792) 23.252 21.321 ( 46.278 -33.989 13.094) 58.892 22.846 ( 23.727 27.971 -9.184) 37.811 23.437 ( -4.073 -0.137 -5.561) 6.894 ======================= Grid point 200 (92/260) ======================= q-point: ( 0.10 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 7.305 21.990 22.707) 32.443 1.742 ( 9.950 13.478 26.676) 31.500 2.822 ( 22.230 5.236 25.628) 34.328 3.704 ( 1.771 -7.077 2.302) 7.650 3.953 ( -3.288 -4.466 8.590) 10.225 4.106 ( 14.725 3.433 9.122) 17.659 4.580 ( 6.473 -1.976 -14.722) 16.203 4.913 ( 6.057 9.400 -5.520) 12.470 5.435 ( -1.185 -3.698 6.909) 7.925 5.767 ( 16.351 3.738 -12.256) 20.774 6.170 ( -15.041 -1.297 13.228) 20.072 6.328 ( -3.630 10.553 -0.245) 11.163 7.139 ( -2.860 -2.298 5.836) 6.893 7.467 ( -0.930 -1.509 -19.618) 19.698 7.885 ( -8.320 0.983 4.626) 9.570 8.751 ( 3.207 -0.676 6.049) 6.880 8.795 ( -10.996 4.491 -3.390) 12.352 9.027 ( 0.198 -4.533 -4.553) 6.428 9.396 ( 2.637 -1.847 -2.339) 3.980 10.295 ( 0.196 3.880 2.501) 4.621 10.625 ( -1.904 -3.704 -6.914) 8.072 11.502 ( 2.665 0.180 -16.208) 16.427 11.800 ( 6.168 -5.388 7.040) 10.800 13.033 ( 3.653 15.026 -6.077) 16.615 13.583 ( -2.768 -2.919 6.256) 7.438 13.813 ( -1.823 -5.446 -5.823) 8.179 14.642 ( -0.580 0.297 2.826) 2.901 14.849 ( -8.976 -9.468 -0.321) 13.050 15.875 ( -46.369 -1.686 18.146) 49.822 16.990 ( -3.158 7.641 -3.758) 9.082 18.610 ( 4.876 3.338 -1.011) 5.995 19.062 ( -6.378 -6.932 -1.510) 9.540 20.054 ( -22.217 3.090 13.144) 25.998 22.125 ( 27.698 -28.021 6.620) 39.952 23.294 ( -7.146 1.507 -5.738) 9.288 23.393 ( 22.725 8.771 -18.231) 30.426 ======================= Grid point 201 (93/260) ======================= q-point: ( 0.20 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 13.525 10.897 24.167) 29.761 2.130 ( 23.038 12.630 9.332) 27.881 3.251 ( 16.654 0.503 9.697) 19.278 3.758 ( 3.760 -11.552 -1.261) 12.214 3.900 ( -1.532 -4.578 2.273) 5.336 4.376 ( 8.113 6.715 -8.921) 13.802 4.707 ( 9.718 -2.590 2.016) 10.258 5.056 ( 7.714 8.746 4.641) 12.551 5.397 ( -5.935 -2.156 8.521) 10.606 5.820 ( -9.947 -6.558 7.522) 14.090 6.049 ( 2.211 3.582 -5.192) 6.684 6.392 ( 11.579 9.362 -10.062) 17.971 7.075 ( -3.182 -0.638 6.359) 7.140 7.460 ( 1.017 0.685 -15.287) 15.336 7.699 ( -9.362 0.079 3.916) 10.148 8.469 ( -19.012 1.245 4.028) 19.474 8.767 ( -1.700 4.093 5.453) 7.028 9.089 ( 4.102 -2.781 -3.523) 6.080 9.420 ( -0.202 -1.889 -4.408) 4.800 10.133 ( -14.899 2.778 0.401) 15.161 10.592 ( -0.762 2.689 12.755) 13.057 11.611 ( 7.919 -5.297 -15.742) 18.400 11.917 ( 4.717 -3.864 4.554) 7.610 13.034 ( -4.185 18.182 -3.586) 18.999 13.521 ( -5.583 -7.760 4.660) 10.635 13.668 ( -6.898 -1.510 -0.781) 7.104 14.611 ( -13.628 -6.438 -5.898) 16.185 14.656 ( 1.034 4.697 0.377) 4.825 15.412 ( -0.228 6.913 13.045) 14.765 17.034 ( 7.400 2.724 3.351) 8.568 18.713 ( -9.680 -3.561 -6.025) 11.945 18.813 ( -5.687 -13.851 2.623) 15.201 19.641 ( -16.257 14.604 11.391) 24.644 22.518 ( 11.857 -16.802 7.019) 21.730 23.096 ( -9.618 3.836 -7.650) 12.874 23.739 ( 10.530 -3.934 -16.927) 20.319 ======================= Grid point 202 (94/260) ======================= q-point: ( 0.30 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 19.524 -0.978 17.471) 26.218 2.604 ( 21.900 11.010 1.797) 24.578 3.412 ( -2.367 -3.084 1.887) 4.321 3.831 ( 0.996 -7.098 2.577) 7.617 3.969 ( 10.680 -7.102 -13.670) 18.745 4.408 ( -1.469 2.645 -30.596) 30.745 4.955 ( 2.244 -3.786 13.647) 14.339 5.155 ( -6.054 5.052 13.049) 15.246 5.229 ( 8.397 7.506 11.492) 16.091 5.761 ( 0.651 -7.966 1.608) 8.152 6.030 ( -0.419 3.793 1.356) 4.050 6.691 ( 14.897 3.732 -12.878) 20.042 7.028 ( -1.126 -2.186 11.335) 11.599 7.473 ( -2.907 1.273 -5.661) 6.490 7.532 ( -4.554 1.582 -1.592) 5.077 8.069 ( -18.279 3.391 7.497) 20.046 8.703 ( -3.896 6.160 1.573) 7.457 9.167 ( 3.257 -1.933 0.148) 3.790 9.375 ( -4.548 -3.991 -5.677) 8.297 9.793 ( -15.685 7.323 8.300) 19.197 10.598 ( 0.690 5.659 21.498) 22.241 11.770 ( 5.926 -10.136 -8.304) 14.381 12.008 ( 5.424 -0.945 -3.576) 6.565 12.867 ( -10.774 12.270 0.404) 16.334 13.342 ( -9.350 -1.986 0.827) 9.594 13.646 ( 2.383 -1.343 0.097) 2.737 14.274 ( -17.386 -0.022 -7.551) 18.955 14.731 ( 6.383 5.301 -3.002) 8.824 15.681 ( 21.569 5.587 2.982) 22.479 17.287 ( 16.533 0.911 7.635) 18.234 18.151 ( -32.813 -18.893 -0.646) 37.869 18.818 ( -6.724 3.514 -1.075) 7.662 19.464 ( 0.200 12.009 9.444) 15.279 22.625 ( -1.642 -12.083 3.026) 12.564 22.958 ( -2.639 5.927 -5.540) 8.532 23.853 ( 1.972 -8.259 -14.544) 16.841 ======================= Grid point 203 (95/260) ======================= q-point: ( 0.40 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 18.819 -8.244 10.000) 22.850 2.994 ( 13.769 5.931 -2.643) 15.223 3.217 ( -13.135 -1.044 -2.782) 13.467 3.797 ( -4.354 -6.100 3.659) 8.340 4.204 ( 6.925 -6.348 -16.523) 19.007 4.370 ( 0.234 -0.772 -30.946) 30.957 4.651 ( -15.807 1.197 2.231) 16.008 5.305 ( 5.819 4.125 6.336) 9.540 5.436 ( 9.810 7.502 11.332) 16.760 5.693 ( -4.496 -7.931 1.633) 9.262 6.149 ( 10.514 1.983 9.245) 14.140 6.845 ( -3.692 -4.997 0.926) 6.282 7.129 ( 12.236 1.527 11.007) 16.529 7.345 ( -7.332 -0.020 -5.645) 9.253 7.410 ( -8.410 2.381 0.720) 8.770 7.863 ( -0.536 9.199 9.391) 13.157 8.649 ( -0.786 4.789 -4.965) 6.942 9.136 ( -9.777 -7.288 7.121) 14.121 9.297 ( 1.675 0.704 -4.353) 4.717 9.559 ( -7.675 11.782 6.754) 15.599 10.627 ( 1.229 6.779 26.845) 27.715 11.785 ( -3.756 -11.191 2.689) 12.107 12.173 ( 9.357 -1.515 -14.110) 16.998 12.663 ( -7.495 6.164 -1.078) 9.764 13.163 ( -7.758 7.084 -1.244) 10.579 13.703 ( 1.536 -3.465 -7.256) 8.186 13.968 ( -10.232 2.164 0.442) 10.468 14.881 ( 7.475 3.518 -3.305) 8.898 16.192 ( 26.844 3.467 -1.770) 27.124 17.471 ( -29.431 -15.020 -1.762) 33.089 17.700 ( 20.291 -0.029 9.427) 22.374 18.524 ( -19.078 12.933 2.898) 23.230 19.598 ( 9.805 1.832 7.873) 12.708 22.523 ( -6.350 -9.020 -4.210) 11.807 22.936 ( -1.057 6.188 -1.793) 6.528 23.836 ( -2.851 -9.445 -13.546) 16.757 ======================= Grid point 204 (96/260) ======================= q-point: (-0.50 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( -23.298 -2.871 -11.976) 26.352 2.813 ( 12.457 -11.128 7.018) 18.118 3.294 ( 6.332 5.949 1.310) 8.786 3.670 ( -6.371 -6.490 6.705) 11.299 4.056 ( -13.366 -1.979 -11.860) 17.979 4.382 ( -2.464 -9.527 -21.901) 24.010 4.587 ( 6.596 8.388 -14.263) 17.813 5.190 ( -13.628 6.777 -10.053) 18.241 5.649 ( 11.215 4.881 9.728) 15.628 5.718 ( 2.070 -3.548 12.154) 12.829 6.374 ( 9.647 -0.838 10.619) 14.371 6.658 ( -10.668 -6.963 9.494) 15.888 7.078 ( -12.484 8.247 0.865) 14.987 7.292 ( 4.589 0.503 -3.944) 6.071 7.561 ( 16.237 -4.748 9.502) 19.403 7.955 ( 8.192 10.615 10.153) 16.819 8.583 ( -9.880 -6.991 -3.178) 12.514 8.988 ( 0.779 0.945 6.063) 6.186 9.360 ( 2.540 3.161 -0.845) 4.142 9.433 ( -4.897 12.660 -1.167) 13.624 10.656 ( 0.615 7.601 30.767) 31.698 11.670 ( -6.444 -12.590 2.497) 14.362 12.272 ( -1.231 9.248 -7.266) 11.825 12.605 ( 1.706 -7.349 -8.646) 11.475 13.060 ( -1.286 10.163 -4.744) 11.289 13.645 ( -3.492 3.105 -13.550) 14.333 13.922 ( 2.805 -3.652 8.281) 9.475 15.012 ( 5.023 -0.056 -1.332) 5.196 16.722 ( 19.716 1.959 0.635) 19.823 16.945 ( -16.199 -10.370 -4.720) 19.805 18.023 ( -7.040 6.151 7.644) 12.076 18.264 ( 12.128 10.479 5.034) 16.800 19.808 ( 9.774 -2.942 11.685) 15.515 22.389 ( -6.650 -10.647 -8.700) 15.273 22.886 ( -3.785 8.944 -3.177) 10.218 23.743 ( -5.492 -8.617 -12.747) 16.337 ======================= Grid point 205 (97/260) ======================= q-point: (-0.40 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( -29.416 3.408 -9.421) 31.076 2.930 ( -8.808 -11.427 16.612) 22.002 3.274 ( 0.141 -7.730 -3.555) 8.510 3.632 ( -0.958 -3.970 -1.556) 4.370 3.880 ( -0.885 7.974 -9.664) 12.560 4.265 ( -9.267 -11.529 -10.488) 18.133 4.672 ( -0.373 11.853 -15.662) 19.645 4.933 ( -7.422 9.732 -16.441) 20.497 5.594 ( -14.604 4.449 13.245) 20.211 5.846 ( 4.917 4.960 10.942) 12.981 6.526 ( 5.828 -6.511 11.541) 14.476 6.553 ( 1.425 -7.370 4.670) 8.841 6.947 ( 0.539 6.444 -0.020) 6.466 7.434 ( 9.085 0.694 -6.375) 11.120 7.862 ( 12.453 -3.760 10.594) 16.776 8.194 ( 13.243 5.722 11.220) 18.276 8.260 ( -18.721 -13.379 5.251) 23.601 9.134 ( 9.703 1.690 -1.165) 9.918 9.299 ( -4.901 12.060 3.461) 13.470 9.446 ( 3.648 8.612 -10.120) 13.780 10.663 ( -0.948 8.521 30.173) 31.367 11.555 ( -4.402 -12.105 2.016) 13.038 12.161 ( -7.885 14.313 -4.296) 16.897 12.645 ( 1.556 -12.991 -10.399) 16.714 13.073 ( 0.921 8.123 -5.858) 10.057 13.707 ( 11.298 7.741 -12.014) 18.218 13.980 ( 1.679 -6.479 7.014) 9.695 15.079 ( 1.406 -3.306 0.822) 3.685 16.579 ( -9.668 -6.735 -2.914) 12.137 17.127 ( 5.698 11.267 8.822) 15.403 17.880 ( 5.409 0.846 0.668) 5.515 18.680 ( 19.961 6.837 3.575) 21.400 19.997 ( 8.276 -5.648 19.164) 21.625 22.223 ( -9.909 -14.899 -13.787) 22.589 22.786 ( -5.615 11.634 -7.523) 14.950 23.620 ( -5.633 -5.774 -10.561) 13.289 ======================= Grid point 206 (98/260) ======================= q-point: (-0.30 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -26.636 10.907 -1.802) 28.839 2.530 ( -25.110 -13.554 25.230) 38.090 3.370 ( 5.451 -5.237 -9.751) 12.337 3.571 ( -2.714 -2.166 -4.351) 5.567 3.888 ( -11.688 5.192 2.120) 12.963 4.057 ( 0.219 1.828 0.689) 1.965 4.578 ( -5.770 13.352 -14.620) 20.623 4.875 ( -2.732 5.262 -14.046) 15.246 5.237 ( -15.446 9.321 2.715) 18.244 5.839 ( -4.163 7.763 9.605) 13.033 6.654 ( 5.936 -8.098 6.674) 12.056 6.685 ( 8.749 -9.927 9.987) 16.577 7.034 ( 6.046 0.820 -4.739) 7.726 7.603 ( 3.701 1.362 -2.738) 4.800 7.889 ( -13.044 -11.446 4.996) 18.059 8.119 ( 12.598 -2.275 4.467) 13.559 8.441 ( 9.313 -2.072 12.350) 15.606 9.222 ( -0.802 13.868 -0.220) 13.893 9.295 ( 3.189 -3.265 -2.536) 5.222 9.566 ( 8.954 12.315 -9.845) 18.131 10.635 ( -2.338 8.475 22.267) 23.940 11.497 ( -1.267 -9.140 6.804) 11.464 11.980 ( -9.167 12.140 -7.013) 16.751 12.667 ( 1.192 -13.173 -7.347) 15.130 13.103 ( 3.332 8.339 -5.783) 10.681 13.970 ( -0.471 -6.728 2.212) 7.097 14.060 ( 18.690 8.716 -6.638) 21.664 15.073 ( -1.782 -3.921 2.710) 5.089 16.484 ( -0.161 -1.218 -6.169) 6.290 17.121 ( 0.648 6.628 24.943) 25.816 18.224 ( 22.332 0.624 -3.838) 22.668 18.986 ( 8.104 4.053 -0.886) 9.105 20.184 ( 10.145 -6.113 27.746) 30.168 21.942 ( -17.734 -20.598 -20.963) 34.325 22.658 ( -6.436 13.909 -12.185) 19.579 23.524 ( -3.185 -2.065 -6.777) 7.768 ======================= Grid point 207 (99/260) ======================= q-point: (-0.20 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -8.345 17.816 18.273) 26.850 2.013 ( -24.752 -10.869 28.464) 39.256 3.350 ( -18.849 11.745 6.812) 23.230 3.515 ( -1.424 -2.594 -1.645) 3.386 3.596 ( -0.803 8.180 9.593) 12.633 4.185 ( 5.448 -1.894 2.735) 6.384 4.433 ( -8.208 6.920 -10.834) 15.253 4.712 ( -7.629 10.859 -4.259) 13.938 5.129 ( 2.602 6.630 -18.163) 19.510 5.743 ( -4.878 8.178 6.081) 11.298 6.719 ( -1.275 -4.539 1.058) 4.832 6.813 ( 1.300 -7.618 20.760) 22.152 7.144 ( 3.866 -9.305 -8.637) 13.271 7.467 ( -7.460 -8.152 3.262) 11.522 7.888 ( 6.044 1.785 0.080) 6.303 8.361 ( 9.366 3.186 -6.097) 11.621 8.619 ( 9.598 -9.341 12.124) 18.066 9.224 ( 0.047 11.513 -3.456) 12.021 9.313 ( -0.270 -1.851 -4.358) 4.743 9.765 ( 9.472 11.470 -6.792) 16.353 10.598 ( -1.149 5.470 11.009) 12.347 11.506 ( 1.709 -5.486 13.529) 14.698 11.790 ( -8.807 8.441 -10.180) 15.888 12.708 ( 3.299 -8.388 -3.955) 9.844 13.226 ( 8.720 4.545 -5.949) 11.493 13.904 ( -4.807 -5.834 6.188) 9.769 14.449 ( 16.533 7.732 -9.107) 20.398 15.022 ( -2.833 -1.462 3.461) 4.706 16.538 ( 5.296 -1.397 -5.877) 8.033 17.359 ( 23.638 0.870 29.592) 37.884 18.675 ( 20.718 3.011 -0.740) 20.949 18.971 ( -9.382 -1.860 -2.793) 9.964 20.430 ( 11.660 -4.578 30.098) 32.601 21.458 ( -28.887 -25.504 -26.280) 46.643 22.534 ( -4.308 18.696 -12.676) 22.995 23.487 ( -0.506 -0.091 -4.071) 4.104 ======================= Grid point 208 (100/260) ======================= q-point: (-0.10 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 12.352 13.702 34.014) 38.695 1.599 ( -13.187 -0.058 32.016) 34.626 2.821 ( -26.087 26.918 30.019) 48.023 3.586 ( 5.258 -5.378 -2.463) 7.915 3.660 ( 5.109 8.016 8.580) 12.805 4.134 ( -7.320 -7.117 9.614) 14.024 4.357 ( 0.319 -0.089 -6.113) 6.122 4.689 ( 4.509 16.591 -10.456) 20.122 5.228 ( 7.128 5.422 -18.836) 20.856 5.641 ( -5.449 5.668 5.288) 9.476 6.574 ( -10.825 0.173 -2.766) 11.174 6.746 ( -7.655 -4.841 24.163) 25.804 7.180 ( 0.647 -11.198 4.416) 12.054 7.448 ( 2.828 -4.934 -12.747) 13.958 7.998 ( 3.746 2.256 1.087) 4.506 8.501 ( 5.940 -0.767 -3.172) 6.777 8.825 ( 7.604 -4.448 -1.858) 9.003 9.219 ( 0.572 4.944 2.349) 5.503 9.282 ( -2.992 -0.677 -8.853) 9.370 9.951 ( 9.621 10.867 -3.198) 14.862 10.607 ( 1.585 -0.287 0.547) 1.701 11.556 ( 1.218 0.943 5.140) 5.366 11.638 ( -4.027 1.402 -3.020) 5.225 12.802 ( 5.690 -1.056 -2.955) 6.498 13.443 ( 11.933 -1.406 -5.230) 13.105 13.794 ( -5.643 -2.479 6.189) 8.735 14.677 ( 5.555 -3.129 -2.027) 6.690 14.973 ( -1.791 3.879 -0.724) 4.333 16.683 ( 7.810 -5.981 -4.818) 10.954 17.984 ( 23.052 2.511 5.382) 23.805 18.640 ( -18.629 -12.677 -0.855) 22.550 19.044 ( 12.507 1.165 0.791) 12.586 20.589 ( 0.459 -4.384 24.496) 24.890 20.883 ( -14.748 -23.907 -6.143) 28.754 22.536 ( 6.605 26.268 -8.944) 28.524 23.481 ( -0.570 -0.119 -4.041) 4.083 ======================= Grid point 209 (101/260) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 7.128 19.684 18.992) 28.266 1.940 ( 10.225 13.831 29.908) 34.501 3.025 ( -10.814 29.620 23.948) 39.595 3.517 ( 1.330 -9.452 -7.764) 12.304 3.919 ( -1.944 -3.829 15.030) 15.631 4.047 ( 8.509 16.793 15.123) 24.148 4.348 ( 4.117 -3.506 -5.448) 7.676 5.098 ( 1.830 16.662 -10.960) 20.028 5.505 ( -9.079 -1.785 8.855) 12.808 5.547 ( 11.658 4.277 -11.267) 16.767 6.390 ( -10.352 -5.385 11.276) 16.226 6.612 ( -2.609 9.235 2.165) 9.838 7.047 ( 1.158 -6.754 8.203) 10.689 7.360 ( 3.920 -8.183 -15.991) 18.386 8.083 ( -3.292 4.599 -0.797) 5.711 8.557 ( 6.415 -3.788 10.089) 12.541 8.914 ( 4.070 -2.875 -3.126) 5.882 9.182 ( -6.543 5.055 -14.663) 16.834 9.280 ( 0.273 2.165 1.822) 2.842 10.291 ( 6.699 4.970 -2.273) 8.645 10.580 ( -2.305 -0.868 -5.311) 5.854 11.483 ( -4.387 -7.806 -5.970) 10.762 11.667 ( 3.941 4.282 9.407) 11.061 13.066 ( 12.192 5.525 -5.809) 14.591 13.481 ( 2.255 -9.603 0.426) 9.874 13.693 ( 2.348 -4.106 4.845) 6.771 14.613 ( -1.023 -1.116 1.099) 1.871 14.948 ( -7.943 2.419 -8.380) 11.797 16.386 ( -19.033 -20.487 4.184) 28.275 17.526 ( -31.529 5.759 -14.999) 35.387 18.645 ( 8.172 3.258 -1.984) 9.018 19.055 ( -5.306 -5.170 -6.924) 10.140 20.372 ( -9.263 -3.250 17.529) 20.091 20.843 ( 33.696 -17.125 15.945) 41.023 23.190 ( 15.193 8.635 -5.073) 18.197 23.462 ( -2.708 3.594 -6.596) 7.985 ======================= Grid point 210 (102/260) ======================= q-point: ( 0.10 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 10.162 17.855 13.811) 24.755 2.075 ( 5.981 19.720 25.473) 32.765 3.008 ( 8.394 14.673 18.416) 24.998 3.514 ( -0.300 -10.703 -11.366) 15.615 3.893 ( -2.259 -1.762 13.121) 13.430 4.294 ( 14.782 14.089 23.324) 31.000 4.482 ( 6.481 -5.349 -12.429) 15.003 5.136 ( 2.991 11.397 -9.408) 15.078 5.380 ( -2.632 -2.052 7.464) 8.176 5.766 ( 6.284 -4.169 -3.855) 8.469 6.159 ( -9.650 0.278 6.304) 11.530 6.567 ( -1.716 12.580 -3.393) 13.142 7.047 ( -1.254 -7.193 8.732) 11.382 7.427 ( 3.319 -2.101 -16.282) 16.749 7.932 ( -9.897 3.744 3.921) 11.285 8.712 ( 4.315 -3.767 5.292) 7.798 8.862 ( -9.891 -2.035 5.690) 11.591 9.048 ( 0.488 12.508 -13.649) 18.520 9.350 ( 3.142 -2.869 -0.513) 4.286 10.358 ( -2.399 1.877 -3.284) 4.479 10.568 ( 2.008 -1.899 -1.506) 3.148 11.414 ( -1.134 -8.944 -7.918) 11.999 11.785 ( 6.626 4.013 10.052) 12.690 13.280 ( 8.309 6.988 -5.999) 12.404 13.460 ( -3.649 -8.578 3.807) 10.069 13.738 ( -0.843 -1.690 -0.959) 2.118 14.610 ( -0.312 -1.209 -0.402) 1.312 14.788 ( -5.396 2.916 -3.874) 7.255 15.784 ( -28.652 -7.928 4.736) 30.103 17.157 ( -8.131 9.367 -5.197) 13.449 18.668 ( -0.671 0.088 -1.487) 1.633 18.875 ( -13.510 -10.195 -4.394) 17.486 20.149 ( -11.647 6.610 12.869) 18.574 21.604 ( 33.609 -24.614 8.956) 42.610 23.320 ( -5.367 1.355 -3.761) 6.692 23.510 ( 9.479 3.325 -10.101) 14.245 ======================= Grid point 211 (103/260) ======================= q-point: ( 0.20 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 2.988 18.671 23.262) 29.977 2.384 ( 19.246 12.668 6.930) 24.060 3.272 ( 13.394 1.824 8.774) 16.116 3.529 ( 2.972 -11.209 -13.783) 18.012 3.825 ( -4.007 -2.502 8.223) 9.484 4.511 ( -1.249 2.434 -17.902) 18.110 4.661 ( 17.086 2.910 21.646) 27.730 5.232 ( 5.949 7.500 1.482) 9.687 5.364 ( -2.161 -0.915 5.395) 5.883 5.690 ( -7.685 -6.048 3.560) 10.407 6.098 ( -0.665 0.833 -5.247) 5.354 6.591 ( 5.869 10.440 -7.125) 13.936 7.004 ( -3.149 -6.843 9.798) 12.359 7.502 ( 4.612 3.903 -11.893) 13.340 7.719 ( -10.301 2.421 5.387) 11.874 8.495 ( -17.127 -0.583 1.735) 17.225 8.837 ( 0.501 3.391 7.350) 8.110 9.106 ( 3.939 6.538 -5.460) 9.385 9.378 ( -0.645 -2.294 -1.484) 2.807 10.191 ( -12.064 2.755 0.301) 12.378 10.633 ( 3.143 0.929 5.850) 6.705 11.447 ( 4.432 -10.824 -8.211) 14.290 11.921 ( 5.553 3.886 6.451) 9.357 13.311 ( -11.601 -1.310 -1.326) 11.750 13.387 ( 1.569 3.327 -0.181) 3.683 13.654 ( -4.005 0.868 2.468) 4.784 14.526 ( -7.771 -0.429 -9.922) 12.610 14.772 ( 2.020 6.882 -1.334) 7.295 15.528 ( 4.492 4.253 3.337) 7.029 17.096 ( 2.772 3.716 1.805) 4.975 18.386 ( -27.080 -21.708 -0.523) 34.710 18.781 ( 4.909 2.278 -3.456) 6.421 19.925 ( -10.567 14.470 10.899) 20.972 22.135 ( 17.930 -21.613 6.784) 28.890 23.170 ( -7.521 3.894 -7.674) 11.429 23.647 ( 3.666 -5.357 -9.138) 11.209 ======================= Grid point 212 (104/260) ======================= q-point: ( 0.30 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 9.286 8.639 18.606) 22.518 2.767 ( 16.579 5.122 1.063) 17.385 3.376 ( -3.181 -0.321 -2.823) 4.265 3.660 ( 3.443 -10.444 3.247) 11.466 3.822 ( 8.659 -6.993 -7.229) 13.272 4.423 ( -5.234 -1.770 -25.239) 25.837 4.919 ( -0.348 0.374 6.063) 6.084 5.244 ( 1.136 2.977 14.600) 14.944 5.358 ( 4.579 4.950 4.981) 8.384 5.677 ( 2.931 1.122 1.275) 3.387 6.054 ( -0.782 -1.722 -1.471) 2.396 6.771 ( 7.514 3.345 -5.458) 9.871 6.944 ( 0.023 -5.322 10.667) 11.920 7.521 ( -8.078 3.694 4.841) 10.116 7.594 ( 1.758 5.147 -6.213) 8.258 8.167 ( -12.688 5.597 5.263) 14.833 8.800 ( -3.642 3.075 2.477) 5.372 9.165 ( -0.472 1.769 0.655) 1.945 9.329 ( -2.076 0.925 -3.128) 3.867 9.942 ( -10.784 7.431 8.606) 15.671 10.692 ( 2.441 2.815 10.246) 10.903 11.562 ( 5.829 -11.266 -6.442) 14.227 11.994 ( 1.702 0.584 -1.165) 2.143 13.025 ( -13.564 2.065 0.094) 13.721 13.379 ( -1.994 5.919 3.449) 7.135 13.626 ( 0.378 -0.105 -0.834) 0.922 14.299 ( -12.782 3.673 -7.005) 15.031 14.850 ( 5.213 6.425 -4.960) 9.647 15.821 ( 20.200 8.528 -2.421) 22.060 17.295 ( 16.150 -0.697 6.236) 17.326 17.762 ( -31.512 -20.093 0.155) 37.373 18.867 ( 1.329 1.932 -3.049) 3.846 19.730 ( -7.877 14.547 10.275) 19.474 22.358 ( 3.988 -15.579 6.449) 17.327 23.048 ( -3.359 3.468 -10.656) 11.698 23.669 ( -0.889 -9.821 -8.802) 13.218 ======================= Grid point 213 (105/260) ======================= q-point: ( 0.40 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 12.294 -2.020 12.302) 17.509 2.961 ( -2.251 -5.079 -6.256) 8.366 3.300 ( 0.439 5.549 -1.279) 5.711 3.612 ( -5.997 -13.110 10.559) 17.870 4.046 ( 7.314 -8.865 -13.113) 17.437 4.308 ( -5.045 -5.114 -26.853) 27.797 4.741 ( -6.868 7.111 -10.335) 14.301 5.398 ( 1.097 3.188 -3.124) 4.596 5.469 ( 9.962 -3.598 16.508) 19.613 5.677 ( -0.444 7.849 1.324) 7.972 6.156 ( 9.216 -1.613 9.015) 12.992 6.711 ( -8.540 -8.354 9.021) 14.970 7.168 ( 15.518 2.275 4.031) 16.194 7.362 ( -6.850 3.745 3.322) 8.485 7.516 ( -8.190 6.809 -2.967) 11.056 8.063 ( 1.371 10.791 9.788) 14.634 8.704 ( -6.649 0.274 -4.869) 8.246 9.032 ( -8.020 -3.965 7.546) 11.704 9.382 ( 5.407 8.852 -3.655) 10.998 9.774 ( -6.191 10.272 10.407) 15.879 10.742 ( 2.198 3.424 15.113) 15.651 11.616 ( -1.843 -6.117 0.198) 6.392 12.045 ( 5.089 -8.364 -12.301) 15.722 12.799 ( -8.662 4.491 -2.504) 10.073 13.314 ( -4.224 7.749 5.261) 10.275 13.647 ( 1.414 -1.637 -4.627) 5.108 14.057 ( -9.481 8.019 -1.004) 12.458 14.947 ( 3.713 2.688 -6.493) 7.948 16.285 ( 24.769 5.959 -1.978) 25.552 17.125 ( -27.232 -18.774 -0.050) 33.076 17.754 ( 24.662 4.280 5.583) 25.645 18.759 ( -12.214 10.639 0.267) 16.200 19.656 ( 0.709 4.287 9.293) 10.258 22.337 ( -4.992 -10.015 2.450) 11.455 23.022 ( 0.355 1.632 -10.667) 10.797 23.620 ( -3.278 -11.207 -8.435) 14.405 ======================= Grid point 214 (106/260) ======================= q-point: (-0.50 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 10.544 -9.510 10.302) 17.543 2.704 ( -18.144 -1.068 -11.129) 21.311 3.278 ( -9.222 -7.324 3.277) 12.224 3.515 ( -0.210 -8.361 7.594) 11.297 4.056 ( -2.574 1.005 -15.134) 15.384 4.195 ( -5.655 -9.054 -19.828) 22.519 4.766 ( 7.161 9.287 -17.071) 20.711 5.278 ( -9.185 1.453 -14.689) 17.386 5.663 ( 6.811 -1.317 12.625) 14.406 5.774 ( 8.174 7.769 10.507) 15.413 6.342 ( 6.832 -2.356 12.680) 14.594 6.512 ( -9.802 -7.986 8.575) 15.277 7.226 ( -6.915 3.853 -0.590) 7.938 7.298 ( -2.138 3.434 5.322) 6.685 7.577 ( 15.010 5.551 4.402) 16.598 8.144 ( 5.535 8.576 10.918) 14.946 8.454 ( -16.826 -4.644 -1.832) 17.551 9.001 ( 4.274 -1.293 5.237) 6.882 9.488 ( 3.834 10.335 -1.999) 11.203 9.681 ( -2.672 12.608 4.449) 13.634 10.794 ( 2.324 4.302 21.036) 21.597 11.515 ( -6.328 -1.871 -0.070) 6.599 12.184 ( 7.336 -12.862 -13.559) 20.077 12.639 ( -7.649 3.889 -7.059) 11.111 13.232 ( -3.125 7.830 3.282) 9.047 13.681 ( 2.494 -1.375 -5.747) 6.414 13.937 ( -2.202 8.301 3.139) 9.144 14.989 ( 0.766 -2.634 -5.276) 5.947 16.659 ( -15.768 -11.231 -0.825) 19.376 16.841 ( 27.532 3.301 0.185) 27.730 18.187 ( 4.663 10.244 5.233) 12.413 18.498 ( -0.108 13.224 2.091) 13.388 19.726 ( 4.674 -5.632 11.506) 13.637 22.187 ( -9.345 -9.994 -3.888) 14.224 23.023 ( -0.571 3.985 -9.888) 10.676 23.542 ( -3.691 -10.488 -7.851) 13.611 ======================= Grid point 215 (107/260) ======================= q-point: (-0.40 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -22.101 5.989 -7.397) 24.063 2.675 ( -11.291 -14.116 20.551) 27.369 3.128 ( 2.904 -5.936 -7.490) 9.988 3.516 ( -1.208 -7.959 -1.207) 8.140 4.023 ( -2.943 -5.079 -8.710) 10.503 4.081 ( -1.985 3.375 -10.415) 11.127 4.897 ( 4.191 10.869 -17.999) 21.440 5.098 ( -6.666 6.530 -18.493) 20.714 5.698 ( -5.839 4.776 13.603) 15.555 5.932 ( 5.674 3.499 13.686) 15.223 6.369 ( 0.990 -8.156 5.828) 10.073 6.440 ( -0.367 -3.906 10.079) 10.816 7.077 ( -4.429 6.897 2.564) 8.588 7.392 ( 8.754 -5.615 -1.302) 10.481 7.848 ( 10.178 2.870 8.121) 13.333 8.058 ( -17.702 -6.400 1.594) 18.890 8.318 ( 8.248 6.980 11.785) 15.988 9.126 ( 6.251 -2.654 0.923) 6.854 9.498 ( -1.906 10.206 5.767) 11.877 9.703 ( 4.337 14.954 -9.490) 18.234 10.846 ( 1.724 8.128 25.090) 26.430 11.403 ( -3.935 -1.825 -2.712) 5.116 12.297 ( 3.569 -6.855 -10.018) 12.653 12.457 ( -9.619 -0.605 -9.276) 13.377 13.204 ( 0.086 5.473 -0.745) 5.525 13.759 ( 4.003 -7.155 -1.196) 8.286 13.975 ( 7.217 10.931 -0.538) 13.110 14.987 ( -0.523 -6.110 -2.406) 6.587 16.452 ( -3.640 -5.775 -4.415) 8.130 17.376 ( 17.019 13.538 6.006) 22.561 17.940 ( -8.065 6.345 7.260) 12.570 18.835 ( 18.322 8.600 -1.768) 20.317 19.833 ( 5.633 -11.404 18.778) 22.680 21.945 ( -14.365 -13.638 -10.810) 22.565 22.979 ( -3.563 8.165 -10.194) 13.538 23.481 ( -1.726 -7.941 -6.775) 10.581 ======================= Grid point 216 (108/260) ======================= q-point: (-0.30 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -18.506 14.441 0.766) 23.486 2.302 ( -20.900 -7.809 25.870) 34.162 3.290 ( 7.979 -3.872 -16.099) 18.380 3.508 ( 2.436 -3.930 1.445) 4.844 3.879 ( -8.774 -7.391 1.088) 11.524 4.128 ( 3.573 8.317 -2.835) 9.485 4.890 ( -3.779 16.054 -18.454) 24.750 5.002 ( -4.229 7.337 -12.298) 14.932 5.464 ( -13.269 13.028 9.653) 20.952 5.987 ( -1.343 4.842 9.168) 10.455 6.437 ( 2.439 -10.672 13.562) 17.429 6.504 ( 9.217 -9.136 0.160) 12.979 7.048 ( -0.191 0.656 -0.377) 0.780 7.458 ( -8.800 -12.870 7.896) 17.476 7.834 ( 2.743 3.132 -6.670) 7.863 8.062 ( 11.187 -2.597 8.618) 14.359 8.472 ( 5.173 4.385 12.457) 14.183 9.219 ( 2.489 -3.949 -3.140) 5.626 9.470 ( -0.612 11.177 3.279) 11.664 9.819 ( 7.067 12.533 -11.569) 18.463 10.856 ( -1.870 13.520 19.180) 23.541 11.366 ( 0.459 -3.812 2.529) 4.598 12.184 ( -12.398 7.291 -11.040) 18.132 12.416 ( 5.282 -11.353 -6.799) 14.248 13.222 ( 1.760 3.789 -3.029) 5.161 13.784 ( -1.199 -11.294 4.493) 12.214 14.259 ( 18.258 9.777 -7.238) 21.940 14.975 ( -0.376 -6.134 -0.215) 6.149 16.490 ( 5.947 2.760 -8.348) 10.615 17.300 ( -10.716 11.836 19.880) 25.498 18.247 ( 25.890 1.880 2.912) 26.121 19.067 ( 2.538 3.359 -7.598) 8.686 20.008 ( 11.572 -11.997 28.172) 32.734 21.575 ( -21.581 -16.788 -16.202) 31.782 22.882 ( -4.866 9.761 -11.591) 15.916 23.470 ( 0.587 -3.460 -5.298) 6.355 ======================= Grid point 217 (109/260) ======================= q-point: (-0.20 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -4.979 21.480 16.974) 27.826 1.921 ( -15.857 2.741 26.849) 31.302 3.379 ( 2.905 -6.484 -10.387) 12.584 3.584 ( -3.898 10.206 1.637) 11.047 3.726 ( 0.287 -1.561 9.166) 9.302 4.173 ( -0.440 4.535 5.226) 6.934 4.661 ( -17.524 14.778 -3.573) 23.200 4.952 ( 1.855 13.850 -10.556) 17.513 5.311 ( -1.483 11.165 -7.645) 13.612 5.898 ( -6.817 6.527 4.160) 10.314 6.525 ( 3.800 -14.638 13.955) 20.578 6.680 ( 5.706 -6.486 4.314) 9.656 6.994 ( -4.740 -5.082 -1.873) 7.197 7.273 ( -3.710 -9.289 3.917) 10.742 7.941 ( 4.810 1.614 -3.591) 6.216 8.377 ( 18.175 -5.008 2.292) 18.991 8.529 ( 0.337 3.582 12.835) 13.330 9.227 ( -1.241 -3.925 -8.675) 9.602 9.461 ( -0.949 10.371 -0.099) 10.415 9.978 ( 8.325 8.999 -8.913) 15.157 10.778 ( -5.685 13.398 6.211) 15.824 11.415 ( 3.587 -4.056 13.848) 14.869 11.920 ( -12.124 3.538 -12.885) 18.042 12.572 ( 9.923 -3.909 -5.373) 11.942 13.279 ( 3.929 0.315 -3.819) 5.488 13.740 ( -2.705 -10.452 7.719) 13.272 14.581 ( 9.802 3.828 -8.144) 13.306 15.000 ( 3.650 -0.594 -4.624) 5.921 16.551 ( -1.605 4.062 -3.221) 5.427 17.384 ( 22.264 1.611 22.240) 31.511 18.717 ( 14.268 -0.277 3.710) 14.745 18.936 ( -10.657 -0.725 -12.939) 16.778 20.292 ( 13.089 -9.576 29.631) 33.779 21.056 ( -27.627 -15.283 -14.912) 34.917 22.813 ( -0.293 10.562 -11.727) 15.785 23.489 ( 1.034 0.300 -4.382) 4.512 ======================= Grid point 218 (110/260) ======================= q-point: (-0.10 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 2.921 20.891 26.552) 33.911 1.733 ( 1.427 12.671 27.803) 30.587 3.328 ( -16.297 21.935 17.341) 32.364 3.451 ( 4.299 -7.723 -5.582) 10.454 3.859 ( 7.419 6.959 5.190) 11.420 4.068 ( -8.923 5.508 17.125) 20.081 4.375 ( -7.180 3.562 -6.164) 10.111 5.034 ( 4.837 18.955 -8.673) 21.399 5.355 ( 5.972 6.268 -12.301) 15.042 5.720 ( -10.394 2.231 4.514) 11.550 6.533 ( -3.741 -8.550 8.710) 12.766 6.680 ( -3.701 0.892 11.283) 11.908 6.993 ( 3.467 -6.672 3.178) 8.163 7.284 ( 3.187 -10.431 -9.000) 14.141 8.043 ( 5.229 1.108 -4.038) 6.700 8.514 ( -1.260 0.269 12.956) 13.019 8.729 ( 14.257 -3.330 -0.956) 14.672 9.193 ( -0.595 -4.298 -11.838) 12.608 9.401 ( -5.481 9.922 -2.214) 11.550 10.142 ( 7.734 7.241 -5.642) 12.003 10.658 ( -5.233 6.526 -1.353) 8.474 11.499 ( 3.319 -4.807 15.934) 16.972 11.703 ( -7.878 2.678 -11.607) 14.281 12.807 ( 12.620 1.884 -5.277) 13.808 13.381 ( 5.919 -5.168 -3.226) 8.494 13.693 ( -1.860 -7.841 9.247) 12.265 14.643 ( -1.024 -0.968 -1.828) 2.308 15.055 ( -0.831 5.010 -12.074) 13.098 16.521 ( -0.559 -10.392 4.645) 11.397 18.040 ( 24.911 2.976 5.488) 25.681 18.387 ( -21.801 -11.692 -11.104) 27.116 19.070 ( 7.062 1.353 -3.928) 8.193 20.477 ( 2.569 -7.693 24.077) 25.406 20.566 ( -12.748 -8.978 2.494) 15.790 22.908 ( 10.240 12.278 -8.432) 18.075 23.497 ( -0.384 2.082 -4.622) 5.084 ======================= Grid point 219 (111/260) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 4.464 11.879 12.523) 17.829 2.254 ( 9.071 19.396 21.620) 30.429 3.315 ( 0.178 -8.283 -0.128) 8.286 3.476 ( -4.271 8.884 9.273) 13.533 3.926 ( -3.127 7.326 15.457) 17.389 4.285 ( 0.013 2.134 -1.179) 2.438 4.484 ( 5.262 23.511 13.031) 27.391 5.356 ( -4.613 5.866 -13.103) 15.080 5.451 ( -5.238 -1.157 8.941) 10.426 5.620 ( 2.301 3.745 0.441) 4.418 6.259 ( -4.754 -7.220 6.607) 10.880 6.657 ( 2.666 -6.746 5.652) 9.195 7.031 ( -2.204 6.070 -1.177) 6.564 7.200 ( 8.475 -8.043 -13.106) 17.558 8.171 ( -1.684 4.770 -1.318) 5.227 8.490 ( 8.822 -3.186 12.932) 15.975 8.821 ( -2.770 -5.633 6.264) 8.868 9.154 ( 7.210 -3.690 -5.021) 9.529 9.537 ( -5.707 18.764 -13.295) 23.695 10.321 ( 4.941 -2.192 -7.443) 9.199 10.605 ( -8.630 2.732 -4.083) 9.930 11.326 ( -5.835 -7.395 -2.190) 9.671 11.765 ( 5.555 5.744 12.706) 15.010 13.023 ( 7.204 -10.901 0.460) 13.075 13.384 ( 4.883 0.994 -2.067) 5.395 13.591 ( 5.817 -5.570 4.838) 9.395 14.638 ( 1.509 2.564 -1.796) 3.475 15.055 ( -9.801 8.821 -14.180) 19.363 15.992 ( -18.375 -20.180 3.924) 27.573 17.653 ( -20.494 7.057 -11.544) 24.557 18.697 ( 9.615 1.932 -5.049) 11.030 18.914 ( -11.101 -8.778 -11.874) 18.474 20.343 ( -2.250 0.227 16.897) 17.047 20.612 ( 22.469 -8.302 14.986) 28.255 23.251 ( 9.454 0.268 -0.409) 9.466 23.551 ( -1.038 4.309 -6.960) 8.252 ======================= Grid point 220 (112/260) ======================= q-point: ( 0.10 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 9.254 8.471 11.365) 16.927 2.448 ( 8.751 18.834 18.819) 28.026 3.307 ( -0.682 -0.706 2.488) 2.675 3.349 ( -5.144 7.325 -1.247) 9.037 3.893 ( -1.808 3.110 15.313) 15.729 4.337 ( 4.883 -5.082 -1.954) 7.314 4.692 ( 11.175 22.164 15.182) 29.097 5.242 ( -4.302 -2.471 -10.406) 11.528 5.362 ( -1.306 -0.199 6.659) 6.788 5.670 ( -0.253 -3.808 5.272) 6.509 6.161 ( -4.081 -0.335 -2.441) 4.767 6.710 ( 1.901 -1.201 3.160) 3.878 6.941 ( -4.985 0.185 -1.133) 5.115 7.393 ( 9.750 -1.704 -11.260) 14.992 8.025 ( -9.906 6.144 4.409) 12.463 8.592 ( -5.456 -8.315 7.314) 12.345 8.832 ( 6.733 0.092 7.759) 10.273 9.290 ( 4.788 -2.598 0.601) 5.481 9.402 ( -5.600 21.441 -15.955) 27.306 10.341 ( -3.661 -4.412 -8.613) 10.347 10.543 ( 2.408 -1.036 -0.213) 2.630 11.230 ( -2.626 -9.051 -1.216) 9.503 11.905 ( 7.091 7.601 11.472) 15.481 13.151 ( 4.878 -13.332 5.845) 15.353 13.448 ( 1.820 2.744 0.518) 3.333 13.702 ( 2.034 -2.884 -0.035) 3.529 14.690 ( 2.558 8.560 -9.120) 12.767 14.882 ( -3.818 6.406 -6.927) 10.179 15.584 ( -16.490 -12.484 -2.918) 20.887 17.346 ( -10.860 10.491 -3.821) 15.575 18.468 ( -20.543 -16.944 -8.744) 28.028 18.833 ( -2.124 2.504 -2.562) 4.165 20.288 ( -4.014 7.373 12.759) 15.273 21.213 ( 30.574 -16.188 9.848) 35.970 23.346 ( -1.231 1.313 -0.646) 1.912 23.538 ( 0.606 0.085 -7.733) 7.757 ======================= Grid point 221 (113/260) ======================= q-point: ( 0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 4.782 13.166 17.277) 22.242 2.623 ( 9.010 13.985 8.730) 18.787 3.317 ( 2.795 0.771 4.624) 5.458 3.349 ( 4.182 -6.224 -11.755) 13.943 3.813 ( -5.976 1.387 9.032) 10.918 4.417 ( 0.685 -7.949 -8.525) 11.676 4.873 ( 6.938 14.530 10.329) 19.130 5.233 ( 1.465 -5.792 4.213) 7.310 5.384 ( 2.126 1.287 0.549) 2.545 5.649 ( 1.514 1.212 5.632) 5.957 6.075 ( -5.060 -2.288 -6.131) 8.273 6.746 ( 2.399 2.653 0.227) 3.584 6.863 ( -2.401 -4.180 2.065) 5.244 7.579 ( 8.054 3.049 -6.632) 10.870 7.812 ( -9.913 7.787 6.431) 14.151 8.405 ( -10.738 -8.044 5.779) 14.609 8.915 ( -0.490 4.295 6.474) 7.785 9.290 ( -3.394 3.640 -0.292) 4.986 9.386 ( 2.946 10.952 -8.021) 13.892 10.208 ( -8.094 -1.913 -1.052) 8.383 10.620 ( 3.958 -1.745 -0.517) 4.357 11.237 ( 3.370 -10.400 -3.287) 11.416 12.030 ( 3.880 6.482 7.791) 10.852 13.186 ( -3.277 -5.467 9.440) 11.390 13.458 ( -0.658 1.100 -3.031) 3.291 13.665 ( -2.923 -1.804 5.971) 6.889 14.632 ( -7.556 10.461 -21.798) 25.331 14.897 ( 2.360 5.734 -1.208) 6.317 15.561 ( 15.450 -0.579 -5.238) 16.324 17.179 ( -4.222 5.121 2.214) 6.996 17.975 ( -26.622 -20.403 -3.433) 33.716 18.829 ( 2.322 2.449 -2.552) 4.231 20.175 ( -7.510 11.301 11.166) 17.572 21.749 ( 20.463 -17.681 7.078) 27.955 23.246 ( -6.995 4.085 -7.692) 11.171 23.542 ( -0.585 -5.523 -4.421) 7.099 ======================= Grid point 222 (114/260) ======================= q-point: ( 0.30 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 0.237 15.038 18.527) 23.863 2.823 ( 8.548 2.063 -1.760) 8.968 3.352 ( 0.779 -4.371 -1.373) 4.648 3.449 ( -0.300 -10.553 -1.599) 10.678 3.742 ( 3.057 -1.003 0.649) 3.282 4.341 ( -6.276 -6.098 -15.560) 17.852 4.967 ( -1.456 4.141 -7.400) 8.604 5.263 ( 5.203 0.395 12.167) 13.238 5.417 ( 1.249 1.365 -4.112) 4.509 5.789 ( 7.752 7.966 11.760) 16.182 5.971 ( -1.893 -5.874 -4.253) 7.495 6.723 ( -6.607 -7.284 11.301) 14.981 6.938 ( 11.043 4.000 -4.370) 12.532 7.599 ( -6.176 3.864 5.498) 9.127 7.727 ( -0.254 8.369 -1.938) 8.594 8.227 ( -4.412 0.042 9.063) 10.080 8.837 ( -6.237 1.628 0.629) 6.477 9.170 ( -8.937 -1.254 3.370) 9.633 9.471 ( 5.729 12.586 -4.531) 14.552 10.047 ( -7.050 2.790 8.158) 11.137 10.688 ( 2.469 -2.562 0.896) 3.670 11.350 ( 7.358 -10.495 -6.517) 14.379 12.047 ( -2.211 4.525 2.507) 5.626 13.019 ( -11.132 -0.822 4.778) 12.142 13.449 ( -0.305 0.833 2.611) 2.757 13.639 ( -0.367 0.102 3.297) 3.319 14.442 ( -8.963 10.771 -11.811) 18.326 14.954 ( 2.610 3.980 -6.408) 7.982 15.986 ( 21.273 8.188 -9.651) 24.754 17.199 ( -2.874 -10.983 5.989) 12.835 17.480 ( -9.780 -6.922 -0.083) 11.982 18.899 ( 3.391 1.377 -2.590) 4.484 19.986 ( -11.004 11.613 10.627) 19.206 22.058 ( 9.783 -14.682 7.751) 19.270 23.087 ( -7.552 0.562 -14.535) 16.389 23.517 ( -1.483 -5.577 -2.835) 6.430 ======================= Grid point 223 (115/260) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 1.841 4.656 15.736) 16.514 2.890 ( -3.252 -2.393 -9.438) 10.265 3.312 ( -9.855 -13.934 7.952) 18.828 3.363 ( 0.635 -1.682 -2.023) 2.706 3.906 ( 9.023 -5.772 -6.826) 12.701 4.195 ( -7.058 -5.915 -17.089) 19.412 4.884 ( -2.313 7.349 -19.122) 20.615 5.345 ( -1.666 -3.625 -5.172) 6.532 5.507 ( 8.736 2.787 7.032) 11.556 5.835 ( 1.417 7.070 3.996) 8.244 6.108 ( 10.224 -1.974 10.844) 15.034 6.549 ( -9.444 -8.282 12.145) 17.472 7.209 ( 11.371 1.959 0.519) 11.550 7.479 ( -4.056 7.466 7.426) 11.284 7.639 ( -5.448 5.601 -1.465) 7.950 8.246 ( 2.957 7.860 12.782) 15.294 8.681 ( -9.174 -1.879 -5.387) 10.804 8.968 ( -8.201 -2.826 7.042) 11.173 9.607 ( 6.871 13.339 -1.919) 15.127 9.935 ( -4.073 6.007 11.469) 13.573 10.725 ( 1.474 -4.303 5.037) 6.787 11.513 ( 7.887 -6.376 -6.991) 12.318 11.970 ( -4.105 2.081 -2.529) 5.251 12.795 ( -10.198 -3.996 -2.854) 11.318 13.427 ( -2.248 4.257 6.809) 8.339 13.633 ( -0.353 -0.789 -0.902) 1.249 14.282 ( -6.235 14.432 -3.004) 16.006 14.968 ( -1.273 -0.653 -10.162) 10.262 16.403 ( 21.243 5.958 -1.800) 22.136 16.804 ( -21.303 -14.074 0.446) 25.536 17.839 ( 28.435 4.187 1.635) 28.788 18.915 ( -3.251 5.665 -0.912) 6.595 19.755 ( -10.759 5.571 10.503) 16.035 22.154 ( -0.988 -8.678 6.626) 10.963 22.965 ( -2.728 -6.989 -17.444) 18.989 23.483 ( -1.848 -2.682 -2.828) 4.314 ======================= Grid point 224 (116/260) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 2.807 -7.702 15.897) 17.886 2.699 ( -13.590 -0.147 -11.024) 17.499 3.110 ( -8.574 -7.640 4.120) 12.201 3.371 ( -0.380 -6.372 -2.737) 6.946 4.010 ( -3.367 -5.655 -15.574) 16.907 4.089 ( 2.201 -2.736 -5.538) 6.557 4.918 ( 5.699 6.527 -21.852) 23.508 5.268 ( -4.285 -1.433 -15.677) 16.315 5.662 ( 4.989 0.558 8.359) 9.751 5.925 ( 6.157 7.522 10.162) 14.063 6.294 ( 7.401 -2.603 10.450) 13.067 6.369 ( -8.466 -6.438 11.281) 15.505 7.220 ( -4.424 -1.273 2.311) 5.151 7.435 ( -6.339 7.442 8.509) 12.960 7.710 ( 12.278 6.979 3.134) 14.467 8.249 ( -5.270 2.304 4.648) 7.395 8.463 ( -8.337 5.753 3.912) 10.858 8.930 ( 3.639 -5.765 4.530) 8.185 9.701 ( 1.115 10.408 4.429) 11.366 9.905 ( 1.406 10.610 2.752) 11.051 10.775 ( 3.732 -4.946 11.945) 13.456 11.609 ( 0.126 8.728 -3.675) 9.471 11.947 ( 3.453 -9.305 -8.029) 12.766 12.605 ( -8.184 -7.103 -10.000) 14.745 13.363 ( -3.900 5.982 7.397) 10.281 13.623 ( -0.571 -3.595 -2.283) 4.296 14.193 ( -2.094 15.782 0.516) 15.928 14.910 ( -3.353 -5.544 -9.015) 11.102 16.452 ( -10.280 -8.905 -3.747) 14.108 16.935 ( 28.956 5.125 6.406) 30.096 18.381 ( 16.822 9.222 -1.578) 19.249 18.752 ( -7.200 13.103 2.217) 15.114 19.597 ( -4.560 -7.691 11.883) 14.872 22.021 ( -11.350 -7.073 -1.213) 13.428 22.983 ( 4.352 -7.571 -12.880) 15.561 23.430 ( -3.327 -0.750 -3.943) 5.214 ======================= Grid point 225 (117/260) ======================= q-point: (-0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( -15.686 3.907 -5.776) 17.166 2.446 ( -5.289 -7.586 19.515) 21.595 3.048 ( 4.085 -3.218 -6.246) 8.127 3.346 ( -1.344 -8.983 -3.108) 9.600 3.893 ( -5.117 -3.116 -6.599) 8.913 4.178 ( 4.522 1.419 -5.651) 7.375 5.056 ( 6.915 5.006 -21.617) 23.242 5.187 ( -2.772 3.695 -19.463) 20.004 5.716 ( 0.542 -2.076 7.681) 7.975 6.008 ( -2.152 4.627 20.011) 20.652 6.234 ( -1.370 -5.817 3.570) 6.962 6.418 ( 3.499 0.619 9.830) 10.452 7.163 ( -3.018 -0.703 3.993) 5.055 7.305 ( -3.801 0.447 6.443) 7.494 7.921 ( 6.577 2.806 9.881) 12.197 8.016 ( -12.396 1.587 -3.459) 12.967 8.466 ( 5.475 8.590 8.024) 12.967 9.042 ( 5.699 -5.875 2.863) 8.671 9.682 ( -1.806 8.303 8.572) 12.070 9.956 ( 2.602 10.879 -8.874) 14.279 10.898 ( 7.544 -1.534 19.877) 21.315 11.540 ( -5.390 14.577 -5.769) 16.578 12.066 ( 6.387 -12.469 -7.257) 15.778 12.446 ( -6.897 -4.808 -13.637) 16.020 13.291 ( -2.897 4.173 5.138) 7.225 13.607 ( -1.084 -7.331 -0.555) 7.431 14.218 ( 5.121 12.681 -2.125) 13.840 14.849 ( -2.014 -8.332 -5.049) 9.948 16.380 ( 3.799 -1.580 -7.358) 8.431 17.589 ( 32.678 7.840 9.076) 34.810 18.152 ( -24.560 15.853 5.948) 29.831 18.977 ( 14.424 5.306 -6.213) 16.577 19.572 ( 2.563 -15.286 19.389) 24.823 21.722 ( -17.127 -9.359 -8.207) 21.172 23.078 ( 3.053 1.708 -9.653) 10.267 23.359 ( -2.094 -3.682 -4.809) 6.409 ======================= Grid point 226 (118/260) ======================= q-point: (-0.30 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -10.796 12.464 4.900) 17.202 2.277 ( -9.991 4.638 18.298) 21.357 3.184 ( 4.949 -7.554 -16.337) 18.667 3.381 ( 6.985 -10.680 7.703) 14.906 3.811 ( -2.618 3.538 -0.221) 4.407 4.258 ( 3.253 3.534 -4.301) 6.448 5.126 ( -2.105 5.100 -15.039) 16.019 5.154 ( 1.464 11.756 -19.390) 22.723 5.659 ( -8.074 5.383 9.397) 13.508 5.923 ( -0.038 -8.468 13.892) 16.269 6.342 ( 8.332 -7.066 -0.332) 10.930 6.396 ( -5.336 4.498 13.650) 15.330 7.058 ( -6.416 0.496 1.379) 6.581 7.263 ( -3.557 -6.785 9.079) 11.880 7.883 ( 0.769 1.641 -4.041) 4.429 8.031 ( 5.878 -1.099 9.200) 10.973 8.592 ( 5.271 7.821 6.680) 11.557 9.132 ( 2.559 -5.230 1.231) 5.951 9.659 ( -0.547 8.513 4.688) 9.733 10.004 ( 2.844 6.456 -12.584) 14.427 11.065 ( 6.861 6.061 23.282) 25.017 11.411 ( -6.386 9.845 -8.031) 14.220 12.094 ( -6.483 -11.886 -8.270) 15.866 12.393 ( 5.290 3.894 -10.858) 12.690 13.251 ( -1.312 -0.121 1.434) 1.947 13.576 ( -1.848 -9.730 3.263) 10.427 14.402 ( 11.792 5.731 -6.774) 14.758 14.839 ( 1.858 -8.183 -4.043) 9.314 16.595 ( 16.114 7.433 -9.391) 20.077 17.556 ( -25.903 14.257 13.072) 32.328 18.301 ( 29.333 4.112 7.800) 30.630 19.058 ( -5.562 -6.085 -11.749) 14.353 19.774 ( 15.226 -10.310 27.129) 32.774 21.325 ( -21.096 -9.314 -10.426) 25.308 23.037 ( -5.324 6.657 -10.514) 13.535 23.398 ( 4.957 -3.902 -4.167) 7.561 ======================= Grid point 227 (119/260) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -0.965 18.382 16.224) 24.536 2.098 ( -7.135 14.986 16.793) 23.611 3.231 ( 1.903 -8.541 -9.018) 12.566 3.533 ( 3.155 -14.985 11.855) 19.366 3.822 ( 4.864 13.826 -1.693) 14.754 4.298 ( 0.436 5.106 -1.536) 5.349 4.945 ( -14.948 13.838 1.205) 20.405 5.216 ( 5.325 13.009 -12.693) 18.940 5.498 ( -5.089 7.307 1.541) 9.037 5.956 ( -2.855 -1.738 1.540) 3.680 6.271 ( -2.184 -8.585 18.283) 20.316 6.541 ( 8.316 -7.475 1.832) 11.330 6.918 ( -5.067 -5.127 -4.195) 8.340 7.187 ( -2.989 1.306 6.040) 6.865 7.924 ( 2.574 -3.090 -1.514) 4.298 8.257 ( 13.988 -5.553 8.909) 17.489 8.666 ( 2.203 8.418 5.116) 10.094 9.142 ( -1.443 -4.955 -1.826) 5.474 9.651 ( -0.627 9.520 -1.560) 9.667 10.081 ( 5.145 1.921 -10.978) 12.275 11.085 ( -7.574 17.759 1.988) 19.409 11.357 ( 2.791 -1.909 11.346) 11.839 11.881 ( -11.196 -7.147 -9.098) 16.100 12.594 ( 12.398 5.105 -7.710) 15.466 13.235 ( 0.073 -4.306 -1.081) 4.440 13.540 ( -1.576 -9.698 7.400) 12.300 14.589 ( 4.507 -1.518 -4.408) 6.484 14.975 ( 11.493 -2.723 -14.055) 18.359 16.714 ( -15.365 12.367 1.779) 19.804 17.407 ( 22.940 0.291 11.480) 25.654 18.631 ( -8.756 -7.649 -3.273) 12.078 18.964 ( 7.347 2.713 -10.824) 13.361 20.104 ( 14.071 -8.816 28.156) 32.688 20.867 ( -22.333 -5.543 -5.598) 23.682 22.952 ( -0.740 4.573 -9.834) 10.870 23.498 ( 4.158 0.591 -4.118) 5.882 ======================= Grid point 228 (120/260) ======================= q-point: (-0.10 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -1.579 12.907 15.698) 20.384 2.082 ( 6.169 24.132 21.282) 32.762 3.280 ( 2.803 -9.074 -2.606) 9.848 3.526 ( -2.168 -3.936 13.575) 14.299 3.940 ( 3.642 9.396 2.148) 10.304 4.285 ( -0.611 7.414 1.038) 7.511 4.604 ( -15.283 21.695 10.635) 28.589 5.367 ( 8.751 8.870 -2.430) 12.695 5.432 ( -2.641 7.825 -7.042) 10.853 5.766 ( -12.055 3.477 0.969) 12.583 6.304 ( 0.887 -13.487 14.429) 19.771 6.622 ( 0.667 -8.256 7.929) 11.466 6.949 ( 7.227 -3.716 -12.310) 14.751 7.145 ( -1.249 0.755 0.341) 1.499 8.038 ( 9.059 -1.072 -1.966) 9.332 8.441 ( 1.198 -6.318 12.785) 14.312 8.759 ( 7.562 4.798 4.756) 10.140 9.095 ( -1.657 -5.825 -6.204) 8.669 9.622 ( -2.382 12.757 -7.335) 14.907 10.200 ( 6.386 -0.828 -8.398) 10.583 10.847 ( -13.282 11.814 -5.952) 18.746 11.413 ( -0.667 -3.551 7.648) 8.459 11.715 ( -2.834 -1.001 2.074) 3.652 12.842 ( 10.916 0.069 -5.125) 12.059 13.274 ( 4.203 -4.441 -2.945) 6.786 13.528 ( 0.502 -8.428 9.740) 12.890 14.623 ( 0.429 -1.044 -1.902) 2.211 15.157 ( 2.960 4.908 -21.708) 22.452 16.324 ( -17.316 -9.077 13.880) 23.976 18.087 ( 17.615 1.597 4.048) 18.145 18.227 ( -6.566 -5.009 -18.346) 20.119 19.087 ( -1.061 0.316 -9.739) 9.802 20.323 ( 6.804 -6.931 22.649) 24.644 20.485 ( -11.915 -1.515 7.608) 14.218 23.040 ( 9.033 2.977 -5.209) 10.844 23.553 ( 1.287 3.221 -4.880) 5.987 ======================= Grid point 229 (121/260) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 2.048 3.949 8.461) 9.559 2.597 ( 6.128 13.301 10.938) 18.279 3.140 ( 0.643 -7.900 7.108) 10.647 3.494 ( 4.345 -2.086 12.965) 13.832 4.087 ( -1.850 4.632 9.912) 11.097 4.360 ( -3.477 4.921 -7.928) 9.958 4.940 ( 1.103 19.442 13.500) 23.695 5.288 ( -1.648 -7.056 7.181) 10.202 5.486 ( -13.716 2.916 6.674) 15.530 5.654 ( -7.216 -3.371 -0.799) 8.005 6.170 ( 3.443 -0.753 -2.569) 4.361 6.498 ( 5.218 -6.437 6.691) 10.650 7.071 ( 13.766 -3.594 -12.628) 19.024 7.152 ( -6.126 3.473 -4.924) 8.593 8.260 ( -2.771 3.705 1.592) 4.893 8.437 ( 17.256 -2.084 11.270) 20.715 8.731 ( -9.987 -2.991 8.799) 13.642 9.098 ( 8.958 -1.707 -0.708) 9.146 9.884 ( 0.435 15.383 -12.803) 20.019 10.212 ( 2.333 -8.364 -14.511) 16.911 10.648 ( -14.959 1.250 -3.978) 15.529 11.227 ( -7.252 -2.682 -1.345) 7.848 11.874 ( 8.685 4.423 15.770) 18.538 12.798 ( 3.031 -8.594 3.646) 9.815 13.418 ( 3.328 0.834 8.102) 8.799 13.519 ( 10.486 -1.434 -7.380) 12.902 14.677 ( 4.592 1.156 -2.269) 5.251 15.267 ( -7.186 12.032 -23.040) 26.967 15.639 ( -20.334 -15.597 9.285) 27.257 17.767 ( -13.474 3.846 -6.575) 15.478 18.707 ( -14.382 -1.170 -14.020) 20.119 18.780 ( 6.289 -3.283 -10.190) 12.416 20.367 ( 3.620 1.544 16.372) 16.838 20.501 ( 15.287 -3.436 14.619) 21.429 23.247 ( 8.288 -0.285 0.847) 8.336 23.606 ( -1.598 1.418 -6.181) 6.540 ======================= Grid point 230 (122/260) ======================= q-point: ( 0.10 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 8.098 2.624 8.681) 12.158 2.762 ( 9.052 12.377 10.229) 18.433 3.144 ( 0.249 -8.119 1.938) 8.351 3.510 ( -3.965 2.660 7.937) 9.263 4.054 ( -4.405 11.557 10.680) 16.341 4.239 ( -3.696 -5.723 -1.202) 6.918 5.044 ( 5.361 1.406 8.179) 9.880 5.203 ( -4.787 14.456 1.297) 15.284 5.352 ( -0.085 -0.422 6.925) 6.938 5.543 ( -1.849 -12.930 3.957) 13.648 6.173 ( -2.954 1.776 -4.878) 5.973 6.607 ( 4.436 -4.942 5.906) 8.887 7.004 ( -7.259 2.862 -8.448) 11.500 7.362 ( 14.131 -1.181 -7.962) 16.263 8.157 ( -6.301 6.507 3.202) 9.607 8.429 ( -12.261 -7.347 11.357) 18.256 8.848 ( 12.888 0.849 7.143) 14.760 9.248 ( 4.812 -1.300 3.952) 6.361 9.822 ( -6.285 21.016 -17.207) 27.879 10.167 ( -4.233 -13.964 -13.892) 20.147 10.529 ( 1.844 -0.400 -0.716) 2.018 11.103 ( -4.118 -3.610 2.711) 6.110 12.038 ( 6.466 4.845 11.909) 14.391 12.938 ( 9.625 -7.078 9.847) 15.482 13.486 ( 3.069 1.143 9.162) 9.729 13.646 ( 0.000 -2.083 -8.091) 8.355 14.830 ( 10.513 3.908 -4.689) 12.156 15.055 ( -9.172 11.995 -17.262) 22.935 15.327 ( -9.202 -13.810 -4.373) 17.162 17.539 ( -10.380 7.998 1.200) 13.159 18.170 ( -27.384 -11.318 -16.003) 33.676 18.873 ( -0.752 1.212 -2.746) 3.095 20.404 ( -0.844 3.865 12.956) 13.546 20.993 ( 27.517 -6.390 9.751) 29.885 23.366 ( 2.942 0.625 2.281) 3.775 23.531 ( -5.336 -0.396 -8.493) 10.038 ======================= Grid point 231 (123/260) ======================= q-point: ( 0.20 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 10.734 2.921 9.385) 14.555 2.918 ( 3.702 14.748 10.639) 18.558 3.173 ( 2.625 -9.601 -0.545) 9.969 3.369 ( -7.555 1.050 0.892) 7.679 3.876 ( -9.627 4.075 -1.062) 10.508 4.265 ( 2.042 -6.442 4.984) 8.397 5.043 ( -1.215 -0.840 -7.949) 8.085 5.232 ( 3.365 10.295 5.997) 12.381 5.384 ( 1.657 -1.756 -1.813) 3.019 5.612 ( 8.117 -5.401 15.310) 18.151 6.068 ( -6.423 1.447 -4.457) 7.951 6.663 ( 0.233 -4.607 7.934) 9.177 6.904 ( -0.614 2.697 -9.272) 9.675 7.609 ( 8.448 0.440 -2.895) 8.942 8.002 ( -7.398 11.106 6.265) 14.742 8.221 ( -7.629 -10.685 8.267) 15.515 8.980 ( -0.394 2.092 4.614) 5.082 9.276 ( -2.681 -1.115 5.835) 6.517 9.699 ( -2.917 15.352 -10.968) 19.092 10.093 ( -3.139 -9.143 -7.014) 11.943 10.597 ( 3.425 -0.365 -2.491) 4.250 11.083 ( 2.359 -4.733 0.214) 5.292 12.130 ( 2.013 3.155 7.678) 8.542 13.124 ( 4.970 -1.365 15.749) 16.571 13.482 ( -6.025 1.807 -4.180) 7.553 13.592 ( 0.469 -4.231 8.005) 9.067 14.827 ( -11.008 7.101 -27.845) 30.773 14.974 ( 1.976 2.021 0.158) 2.831 15.529 ( 27.230 -1.791 -10.868) 29.374 17.294 ( -13.161 6.230 6.234) 15.839 17.646 ( -22.017 -12.399 -8.252) 26.582 18.864 ( 1.134 1.004 -2.211) 2.680 20.334 ( -6.371 4.694 11.703) 14.127 21.502 ( 20.737 -7.124 7.009) 23.020 23.324 ( -8.677 3.802 -9.430) 13.367 23.443 ( -0.638 -4.394 -0.790) 4.510 ======================= Grid point 232 (124/260) ======================= q-point: ( 0.30 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 2.923 10.246 11.840) 15.928 2.885 ( -5.035 5.325 5.983) 9.460 3.164 ( -4.215 -11.948 7.229) 14.587 3.326 ( 2.824 -3.129 -10.763) 11.559 3.756 ( -0.803 1.211 -5.776) 5.956 4.236 ( -4.741 -3.558 -1.860) 6.213 5.040 ( -0.701 2.388 -15.327) 15.528 5.305 ( 3.826 4.294 3.074) 6.521 5.396 ( 1.210 -3.729 -4.957) 6.320 5.836 ( 10.735 -2.641 10.342) 15.138 5.954 ( -2.145 3.749 6.085) 7.463 6.597 ( -7.008 -4.318 10.159) 13.075 7.007 ( 10.281 2.243 -5.552) 11.897 7.650 ( -2.390 1.367 3.290) 4.290 7.880 ( -7.851 6.109 2.778) 10.328 8.184 ( 5.621 -3.135 12.213) 13.806 8.867 ( -9.474 1.096 -1.897) 9.724 9.146 ( -9.404 -0.816 6.233) 11.312 9.722 ( 4.787 11.232 -3.899) 12.817 10.024 ( -3.384 -4.535 3.876) 6.858 10.643 ( 0.956 -1.189 -2.501) 2.929 11.192 ( 7.919 -5.020 -4.913) 10.586 12.128 ( -2.033 2.794 3.754) 5.102 13.013 ( -13.772 0.002 4.154) 14.385 13.451 ( 2.699 -0.023 5.939) 6.523 13.617 ( 0.439 -1.445 6.741) 6.908 14.633 ( -6.686 6.759 -17.512) 19.927 14.994 ( -0.477 0.511 -5.483) 5.528 16.112 ( 24.420 4.170 -17.412) 30.280 16.986 ( -19.147 -7.580 8.001) 22.092 17.432 ( 7.793 -0.503 0.660) 7.837 18.918 ( 3.574 0.549 -2.119) 4.191 20.148 ( -12.194 4.647 11.031) 17.087 21.847 ( 12.931 -6.286 7.997) 16.452 23.082 ( -13.103 -0.484 -15.786) 20.521 23.455 ( 1.066 -1.320 -0.245) 1.714 ======================= Grid point 233 (125/260) ======================= q-point: ( 0.40 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( -11.049 8.357 17.265) 22.136 2.814 ( -3.517 -6.873 -1.657) 7.897 3.087 ( -3.239 -5.580 2.455) 6.903 3.348 ( -1.011 -0.703 -12.437) 12.497 3.821 ( 5.877 -2.729 -6.258) 9.008 4.113 ( -6.146 -2.252 -4.058) 7.701 5.002 ( -1.066 4.190 -20.982) 21.423 5.289 ( -2.921 -2.217 -14.390) 14.850 5.535 ( 8.896 0.517 7.278) 11.505 5.912 ( 3.649 1.197 0.086) 3.842 6.122 ( 10.283 2.601 19.594) 22.281 6.412 ( -9.936 -5.108 10.038) 15.019 7.238 ( 7.933 0.859 -0.272) 7.984 7.600 ( -2.169 3.980 6.879) 8.238 7.713 ( -4.620 1.895 2.443) 5.559 8.350 ( 6.011 2.842 15.440) 16.811 8.652 ( -8.721 -0.875 -6.517) 10.922 8.928 ( -11.023 -1.234 6.236) 12.724 9.845 ( 4.759 10.623 2.142) 11.836 9.976 ( 0.137 -2.363 8.284) 8.616 10.644 ( -0.179 -2.760 0.027) 2.766 11.392 ( 11.548 -4.379 -7.935) 14.680 12.065 ( -3.905 4.712 0.791) 6.171 12.703 ( -14.967 -3.848 -4.523) 16.102 13.491 ( 0.217 2.363 8.466) 8.792 13.604 ( -1.764 -1.745 3.136) 3.999 14.529 ( -3.700 8.906 -7.339) 12.119 14.928 ( -5.613 -2.644 -11.498) 13.065 16.501 ( 13.097 4.387 -1.501) 13.894 16.603 ( -11.072 -7.088 0.580) 13.159 17.899 ( 31.214 1.762 -0.829) 31.275 18.982 ( 2.033 1.631 -1.087) 2.824 19.841 ( -17.848 2.721 11.001) 21.142 22.029 ( 3.274 -3.740 8.677) 10.000 22.839 ( -7.702 -4.207 -17.866) 19.905 23.472 ( 0.298 0.289 -2.631) 2.663 ======================= Grid point 234 (126/260) ======================= q-point: (-0.50 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( -5.874 -3.325 17.499) 18.756 2.684 ( -8.934 -0.973 -4.675) 10.130 3.027 ( -2.564 -1.497 0.897) 3.102 3.290 ( -3.674 -2.034 -14.063) 14.676 3.936 ( 3.179 -1.425 -7.408) 8.186 4.022 ( -0.473 -3.373 -0.441) 3.434 5.015 ( 3.085 3.325 -22.443) 22.897 5.237 ( -1.167 -1.498 -19.794) 19.885 5.673 ( 3.514 0.459 6.904) 7.760 6.049 ( 7.383 4.904 9.102) 12.704 6.225 ( -2.930 -4.082 6.347) 8.095 6.296 ( 1.778 -1.312 15.789) 15.943 7.203 ( -6.993 -0.455 3.773) 7.959 7.539 ( -5.649 2.979 8.323) 10.491 7.808 ( 9.927 2.785 6.256) 12.060 8.272 ( -10.479 0.610 -0.077) 10.497 8.617 ( -0.345 9.201 6.428) 11.230 8.791 ( 1.555 -8.514 4.552) 9.779 9.843 ( -2.698 3.935 11.892) 12.814 10.064 ( 4.589 5.009 -1.789) 7.025 10.682 ( 5.044 -3.236 7.062) 9.263 11.649 ( 13.288 -3.044 -7.972) 15.792 11.972 ( -5.169 8.491 -1.780) 10.099 12.427 ( -11.169 -8.965 -10.834) 17.958 13.460 ( -3.291 4.038 7.143) 8.841 13.554 ( -2.934 -3.366 0.994) 4.575 14.462 ( -2.671 10.468 -1.531) 10.911 14.789 ( -6.672 -6.205 -11.094) 14.356 16.338 ( -5.428 -2.922 -5.073) 7.984 17.009 ( 28.541 2.175 9.406) 30.130 18.509 ( 24.177 3.628 -6.584) 25.319 18.970 ( -3.678 8.033 0.845) 8.875 19.454 ( -17.957 -5.921 14.139) 23.610 21.927 ( -12.521 -2.582 0.087) 12.785 22.842 ( 7.851 -4.825 -10.389) 13.887 23.447 ( -3.014 1.037 -5.220) 6.116 ======================= Grid point 235 (127/260) ======================= q-point: (-0.40 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 3.032 -2.529 13.904) 14.454 2.478 ( -9.907 2.438 -1.562) 10.321 2.990 ( -0.815 -2.315 0.865) 2.602 3.214 ( -2.742 -3.880 -11.354) 12.308 3.927 ( -0.330 5.547 -0.800) 5.614 4.116 ( 6.291 -6.477 -4.124) 9.926 5.103 ( 5.499 0.995 -21.732) 22.439 5.243 ( 2.659 1.610 -22.613) 22.825 5.683 ( -2.022 -0.767 6.291) 6.652 6.079 ( -7.512 2.385 19.827) 21.336 6.153 ( -1.054 -2.545 4.940) 5.656 6.428 ( 8.914 0.168 6.487) 11.026 7.111 ( -1.060 -1.998 8.619) 8.911 7.363 ( -11.572 2.533 6.662) 13.591 7.946 ( 2.489 0.500 12.300) 12.559 8.063 ( -8.778 1.746 -3.232) 9.516 8.631 ( 3.991 7.334 -2.372) 8.680 8.917 ( 6.911 -6.080 9.374) 13.138 9.795 ( -1.920 3.185 11.477) 12.064 10.098 ( -0.577 3.729 -9.572) 10.288 10.865 ( 11.520 -0.975 16.126) 19.842 11.843 ( -7.546 11.542 -5.446) 14.826 11.891 ( 7.937 -2.345 -5.025) 9.682 12.275 ( -1.258 -10.878 -15.764) 19.194 13.372 ( -5.239 4.054 5.742) 8.767 13.489 ( -3.315 -4.864 1.377) 6.045 14.439 ( 1.189 10.038 -3.334) 10.644 14.677 ( -3.484 -9.048 -7.153) 12.049 16.376 ( 9.453 0.380 -9.420) 13.351 17.679 ( 35.114 2.097 13.779) 37.779 18.485 ( -25.416 15.651 -2.101) 29.922 18.983 ( -0.727 -5.580 -5.079) 7.580 19.328 ( 10.291 -6.995 20.036) 23.586 21.600 ( -17.914 -3.285 -6.270) 19.261 23.066 ( 12.213 -1.324 -5.181) 13.332 23.339 ( -7.111 0.257 -7.614) 10.421 ======================= Grid point 236 (128/260) ======================= q-point: (-0.30 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( -6.230 6.124 5.504) 10.326 2.418 ( 2.999 8.096 9.294) 12.685 3.003 ( 1.707 -9.717 0.408) 9.874 3.196 ( 1.677 -5.588 -1.196) 5.956 3.966 ( 4.146 9.385 1.634) 10.389 4.235 ( 5.090 -5.036 -5.785) 9.205 5.188 ( 2.084 1.540 -17.639) 17.828 5.334 ( 6.091 6.297 -21.480) 23.198 5.640 ( -0.980 -4.160 7.291) 8.451 5.837 ( -12.002 -0.937 16.759) 20.635 6.243 ( 7.996 -2.841 0.244) 8.489 6.486 ( -5.462 3.055 16.569) 17.712 7.076 ( -13.279 1.234 1.690) 13.443 7.182 ( 4.034 -2.313 9.289) 10.388 7.908 ( -5.059 0.990 -0.805) 5.217 8.008 ( 4.531 -1.020 9.440) 10.521 8.739 ( 5.086 6.041 -4.913) 9.300 9.029 ( 3.276 -4.560 9.955) 11.430 9.781 ( 0.334 3.677 7.704) 8.544 10.071 ( -1.014 1.140 -14.513) 14.593 11.121 ( 12.132 1.224 20.652) 23.983 11.657 ( -10.286 12.871 -8.954) 18.752 11.878 ( -7.213 -10.421 -7.030) 14.493 12.422 ( 13.170 -0.381 -12.621) 18.245 13.256 ( -6.032 0.980 3.542) 7.063 13.430 ( -2.307 -5.006 4.628) 7.197 14.511 ( 4.403 6.158 -7.215) 10.458 14.674 ( 5.262 -8.356 -7.523) 12.414 16.717 ( 23.695 3.926 -9.052) 25.667 17.786 ( -36.403 7.602 8.512) 38.150 18.422 ( 30.351 8.164 7.528) 32.319 18.839 ( -9.374 -13.317 -5.666) 17.243 19.662 ( 16.993 -2.071 20.632) 26.809 21.213 ( -19.448 -2.784 -6.620) 20.731 23.135 ( -8.104 3.244 -10.044) 13.307 23.332 ( 9.839 -2.505 -3.509) 10.742 ======================= Grid point 237 (129/260) ======================= q-point: (-0.20 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -3.064 5.839 9.944) 11.932 2.461 ( 1.432 17.995 8.989) 20.167 3.042 ( 2.205 -11.373 3.192) 12.016 3.273 ( 4.842 -8.452 8.323) 12.812 4.074 ( 5.049 10.693 1.675) 11.944 4.315 ( 2.888 -2.891 -7.709) 8.725 5.143 ( -5.505 5.846 -2.464) 8.399 5.402 ( -2.092 5.078 -5.047) 7.458 5.613 ( 1.501 6.650 2.464) 7.249 5.812 ( 8.490 -10.122 -0.587) 13.224 6.253 ( -15.838 2.840 23.064) 28.122 6.428 ( 7.457 -3.548 2.079) 8.516 6.809 ( -9.267 -4.403 -7.577) 12.754 7.258 ( 1.407 3.434 5.233) 6.415 7.856 ( 1.413 -2.727 1.634) 3.479 8.186 ( 10.796 -1.784 9.325) 14.377 8.808 ( 2.124 5.444 -5.387) 7.948 9.048 ( -1.822 -4.107 8.708) 9.798 9.808 ( 1.894 5.764 1.867) 6.348 10.070 ( 1.710 -1.976 -15.398) 15.618 11.338 ( 3.435 -0.148 11.739) 12.232 11.418 ( -9.373 16.175 -3.877) 19.093 11.690 ( -8.388 -12.227 -5.379) 15.773 12.691 ( 11.129 3.369 -7.831) 14.019 13.154 ( -2.236 -2.929 0.054) 3.685 13.400 ( -0.793 -4.199 8.050) 9.114 14.565 ( 1.900 -0.624 -4.024) 4.494 14.914 ( 16.185 -2.454 -18.035) 24.356 16.950 ( -34.812 9.342 10.890) 37.653 17.384 ( 31.742 -2.245 -1.947) 31.881 18.494 ( -15.925 -4.794 -8.703) 18.771 19.006 ( 15.783 1.284 -6.270) 17.032 19.988 ( 13.725 -3.084 26.859) 30.320 20.808 ( -19.281 -1.280 -1.331) 19.369 23.005 ( -2.319 1.215 -9.165) 9.532 23.507 ( 6.709 0.287 -3.613) 7.625 ======================= Grid point 238 (130/260) ======================= q-point: (-0.10 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -1.864 5.214 9.525) 11.018 2.505 ( 2.883 16.910 10.637) 20.184 3.099 ( 2.875 -9.094 8.437) 12.733 3.381 ( 5.391 -6.188 12.509) 14.961 4.124 ( -0.631 6.471 4.545) 7.932 4.359 ( 2.073 1.580 -10.153) 10.483 5.010 ( -6.547 16.128 9.828) 19.989 5.324 ( -2.910 -5.266 7.362) 9.507 5.698 ( 1.397 11.561 -6.970) 13.572 5.841 ( -14.233 3.377 7.519) 16.448 6.063 ( 4.955 -10.354 8.410) 14.229 6.447 ( -1.725 -7.356 9.012) 11.760 6.829 ( 9.431 -4.670 -16.813) 19.835 7.244 ( -2.622 4.470 -0.012) 5.182 8.019 ( 14.561 -0.650 4.179) 15.162 8.342 ( 1.964 -3.100 8.778) 9.514 8.861 ( 1.915 5.681 3.218) 6.804 8.978 ( -2.366 -6.227 0.714) 6.699 9.852 ( 2.284 9.636 -5.033) 11.108 10.132 ( 4.425 -5.110 -13.679) 15.258 11.033 ( -19.611 5.751 -8.453) 22.115 11.378 ( -6.518 -0.255 -4.571) 7.965 11.690 ( 7.653 -0.944 16.492) 18.206 12.790 ( -0.327 -3.507 -0.562) 3.567 13.249 ( 10.756 0.809 -6.772) 12.736 13.403 ( 1.051 -3.925 10.085) 10.873 14.608 ( 2.603 -0.418 -2.820) 3.860 15.220 ( 11.536 1.530 -26.806) 29.223 16.205 ( -34.091 -3.092 19.066) 39.183 18.092 ( -4.748 -0.552 1.013) 4.886 18.187 ( 24.050 -0.163 -18.578) 30.390 19.085 ( -8.067 -0.245 -13.865) 16.043 20.232 ( 9.263 -2.443 23.328) 25.218 20.474 ( -11.126 -0.106 8.793) 14.181 23.065 ( 7.682 0.377 -3.957) 8.649 23.599 ( 2.424 1.321 -4.464) 5.249 ======================= Grid point 279 (131/260) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -9.115 0.000 27.171) 28.659 2.116 ( 5.120 0.000 30.344) 30.773 2.806 ( 3.005 0.000 9.507) 9.971 3.622 ( 6.807 0.000 -17.212) 18.509 4.148 ( -3.010 0.000 21.738) 21.946 4.169 ( -3.610 0.000 -6.894) 7.782 4.353 ( 9.749 0.000 11.362) 14.971 4.709 ( 10.328 0.000 14.634) 17.911 5.065 ( 16.879 0.000 -9.955) 19.596 5.664 ( -1.148 0.000 6.652) 6.750 6.299 ( -11.131 0.000 -0.091) 11.131 6.976 ( -17.766 0.000 17.677) 25.063 7.066 ( 1.244 0.000 -20.999) 21.036 7.277 ( -4.953 0.000 -0.638) 4.994 8.132 ( -3.244 0.000 6.581) 7.337 8.513 ( 11.653 0.000 -8.013) 14.142 8.750 ( -0.155 0.000 -5.063) 5.066 8.876 ( -1.638 0.000 -21.280) 21.343 9.539 ( 0.651 0.000 13.754) 13.769 10.143 ( 15.500 0.000 3.493) 15.889 10.448 ( -2.996 0.000 -11.801) 12.175 11.090 ( -2.671 0.000 -17.849) 18.048 11.955 ( -3.338 0.000 11.185) 11.672 12.763 ( 3.566 0.000 -6.920) 7.785 13.635 ( 11.254 0.000 -3.515) 11.790 13.759 ( -4.745 0.000 2.419) 5.326 14.851 ( -8.780 0.000 3.433) 9.427 14.914 ( 6.312 0.000 -2.769) 6.892 16.778 ( 7.254 0.000 -2.482) 7.667 17.249 ( -46.596 0.000 -10.369) 47.736 18.631 ( -7.628 0.000 4.684) 8.951 19.049 ( 2.867 0.000 -3.619) 4.617 20.835 ( -21.820 0.000 17.489) 27.964 21.842 ( 51.222 0.000 -9.180) 52.038 22.389 ( 11.578 0.000 9.532) 14.997 23.294 ( -6.185 0.000 -9.204) 11.088 ======================= Grid point 280 (132/260) ======================= q-point: ( 0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 6.105 0.000 27.963) 28.621 2.138 ( 0.835 0.000 26.540) 26.553 3.045 ( 15.906 0.000 3.605) 16.309 3.718 ( 2.781 0.000 -23.251) 23.417 4.006 ( -8.495 0.000 -4.045) 9.408 4.041 ( -7.400 0.000 -4.823) 8.833 4.686 ( 18.376 0.000 29.973) 35.158 4.970 ( 13.847 0.000 14.523) 20.066 5.455 ( 20.444 0.000 -9.650) 22.607 5.644 ( -1.501 0.000 5.562) 5.761 6.137 ( -4.373 0.000 -1.931) 4.781 6.574 ( -21.229 0.000 16.240) 26.729 7.094 ( 2.642 0.000 -17.254) 17.455 7.182 ( -4.074 0.000 0.991) 4.192 7.992 ( -9.596 0.000 5.059) 10.848 8.654 ( -0.321 0.000 -9.927) 9.932 8.768 ( 0.994 0.000 -2.168) 2.385 8.882 ( 4.672 0.000 -12.021) 12.897 9.496 ( -4.856 0.000 9.160) 10.368 10.249 ( -6.658 0.000 -7.522) 10.046 10.566 ( 15.041 0.000 2.328) 15.220 11.110 ( 5.158 0.000 -19.360) 20.035 11.912 ( -0.639 0.000 2.914) 2.983 12.828 ( 2.759 0.000 -2.915) 4.013 13.681 ( -3.018 0.000 0.130) 3.020 13.770 ( 0.509 0.000 -3.524) 3.561 14.689 ( -5.854 0.000 2.383) 6.320 14.895 ( -8.447 0.000 -2.501) 8.810 16.258 ( -42.197 0.000 11.815) 43.820 16.912 ( 6.989 0.000 3.138) 7.661 18.584 ( 2.449 0.000 2.301) 3.360 19.110 ( 1.362 0.000 -1.458) 1.995 20.294 ( -29.895 0.000 13.547) 32.821 22.642 ( 11.869 0.000 9.061) 14.932 22.779 ( 36.937 0.000 -21.762) 42.871 23.114 ( -10.854 0.000 -10.385) 15.022 ======================= Grid point 281 (133/260) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 17.102 0.000 24.809) 30.132 2.243 ( 8.729 0.000 14.638) 17.043 3.387 ( 16.822 0.000 3.874) 17.263 3.728 ( -0.538 0.000 -28.266) 28.272 3.806 ( -10.929 0.000 -13.892) 17.676 3.896 ( -6.054 0.000 -8.429) 10.378 5.068 ( 16.948 0.000 24.474) 29.770 5.246 ( 10.936 0.000 17.090) 20.290 5.600 ( -2.840 0.000 5.776) 6.436 5.821 ( 11.944 0.000 -8.135) 14.451 6.143 ( 7.094 0.000 -4.203) 8.246 6.154 ( -18.178 0.000 13.298) 22.523 7.133 ( 0.092 0.000 5.031) 5.032 7.173 ( 5.154 0.000 -12.150) 13.198 7.776 ( -10.939 0.000 3.079) 11.364 8.515 ( -11.495 0.000 -3.093) 11.904 8.749 ( -3.427 0.000 -0.277) 3.438 9.015 ( 6.747 0.000 -6.212) 9.171 9.379 ( -5.701 0.000 0.682) 5.742 10.052 ( -11.279 0.000 -5.912) 12.734 10.848 ( 10.944 0.000 14.427) 18.108 11.275 ( 10.922 0.000 -19.541) 22.386 11.936 ( 2.693 0.000 -3.931) 4.765 12.861 ( -0.027 0.000 0.919) 0.919 13.626 ( -2.563 0.000 -5.304) 5.890 13.627 ( -13.317 0.000 -2.373) 13.527 14.606 ( -17.481 0.000 1.660) 17.560 14.625 ( -1.179 0.000 0.652) 1.347 15.718 ( -9.520 0.000 18.541) 20.843 17.109 ( 12.443 0.000 6.303) 13.949 18.637 ( -1.902 0.000 -1.137) 2.216 19.061 ( -6.667 0.000 1.178) 6.770 19.712 ( -22.907 0.000 13.336) 26.506 22.847 ( -13.495 0.000 -12.529) 18.415 22.855 ( 8.303 0.000 7.664) 11.299 23.333 ( 17.946 0.000 -23.017) 29.186 ======================= Grid point 282 (134/260) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 12.210 0.000 2.020) 12.376 2.479 ( 19.550 0.000 19.361) 27.515 3.499 ( -15.090 0.000 -8.129) 17.141 3.692 ( -2.714 0.000 -31.580) 31.697 3.767 ( 16.088 0.000 -5.098) 16.876 3.812 ( -0.522 0.000 -11.098) 11.110 5.295 ( -11.226 0.000 7.414) 13.453 5.338 ( 7.020 0.000 10.764) 12.851 5.517 ( -2.466 0.000 25.301) 25.421 5.896 ( -0.646 0.000 -1.213) 1.374 6.010 ( 6.012 0.000 3.317) 6.866 6.429 ( 17.211 0.000 -7.954) 18.960 7.219 ( 8.070 0.000 9.874) 12.752 7.263 ( 2.709 0.000 -8.813) 9.220 7.567 ( -9.023 0.000 2.970) 9.499 8.223 ( -15.508 0.000 6.991) 17.011 8.631 ( -7.184 0.000 -0.350) 7.192 9.131 ( 4.325 0.000 -5.014) 6.622 9.288 ( -2.710 0.000 -4.985) 5.674 9.802 ( -12.762 0.000 0.635) 12.778 11.027 ( 6.530 0.000 23.773) 24.653 11.529 ( 13.966 0.000 -19.263) 23.793 11.995 ( 2.614 0.000 -3.755) 4.575 12.803 ( -5.941 0.000 3.283) 6.788 13.293 ( -17.688 0.000 -3.239) 17.982 13.553 ( -4.808 0.000 -14.239) 15.029 14.288 ( -11.388 0.000 10.461) 15.463 14.649 ( 4.284 0.000 -0.660) 4.334 15.801 ( 13.837 0.000 11.580) 18.044 17.419 ( 17.052 0.000 6.237) 18.157 18.311 ( -28.489 0.000 -2.148) 28.570 18.832 ( -15.463 0.000 3.206) 15.792 19.556 ( 6.312 0.000 14.168) 15.510 22.572 ( -12.501 0.000 -14.270) 18.971 22.976 ( 3.031 0.000 6.583) 7.247 23.560 ( 5.987 0.000 -20.991) 21.828 ======================= Grid point 283 (135/260) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( 9.557 0.000 -7.245) 11.992 2.839 ( 14.014 0.000 8.872) 16.586 3.117 ( -19.902 0.000 -12.796) 23.661 3.595 ( -4.942 0.000 -26.286) 26.747 3.892 ( 7.976 0.000 -12.958) 15.216 4.092 ( 14.314 0.000 0.384) 14.319 4.897 ( -23.227 0.000 14.362) 27.309 5.292 ( -11.355 0.000 -4.702) 12.290 5.589 ( 7.684 0.000 16.159) 17.893 5.916 ( 2.996 0.000 7.403) 7.987 6.239 ( 12.915 0.000 4.056) 13.537 6.744 ( 11.874 0.000 -7.339) 13.959 7.211 ( -8.895 0.000 -4.757) 10.087 7.373 ( -2.978 0.000 -4.193) 5.143 7.491 ( 10.696 0.000 19.856) 22.554 7.978 ( -6.314 0.000 10.347) 12.121 8.518 ( -1.858 0.000 -1.918) 2.670 9.137 ( -3.356 0.000 -11.308) 11.796 9.303 ( 3.624 0.000 0.471) 3.655 9.529 ( -14.054 0.000 6.534) 15.498 11.139 ( 3.351 0.000 27.113) 27.319 11.814 ( 13.282 0.000 -16.779) 21.400 12.031 ( 0.857 0.000 1.856) 2.044 12.645 ( -7.806 0.000 2.385) 8.162 12.942 ( -15.418 0.000 -5.904) 16.510 13.417 ( -7.404 0.000 -19.315) 20.685 14.175 ( -0.901 0.000 15.692) 15.718 14.797 ( 9.375 0.000 -2.340) 9.662 16.195 ( 22.916 0.000 4.808) 23.414 17.611 ( -26.774 0.000 0.957) 26.791 17.843 ( 14.212 0.000 1.902) 14.339 18.456 ( -20.302 0.000 4.311) 20.754 19.811 ( 15.587 0.000 16.132) 22.432 22.333 ( -10.369 0.000 -18.000) 20.773 22.981 ( -2.606 0.000 6.112) 6.645 23.603 ( -0.558 0.000 -17.831) 17.839 ======================= Grid point 284 (136/260) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -24.349 0.000 -11.580) 26.963 3.002 ( 8.694 0.000 -9.708) 13.032 3.038 ( 5.312 0.000 -6.893) 8.702 3.508 ( -1.935 0.000 -19.569) 19.664 4.093 ( 10.601 0.000 -2.773) 10.958 4.329 ( 8.594 0.000 1.121) 8.667 4.415 ( -23.483 0.000 13.740) 27.208 4.946 ( -20.398 0.000 -8.323) 22.031 5.817 ( 13.054 0.000 12.497) 18.071 5.959 ( -1.349 0.000 8.907) 9.009 6.483 ( 10.102 0.000 2.510) 10.409 6.862 ( -0.127 0.000 -0.749) 0.760 6.943 ( -13.928 0.000 -0.111) 13.929 7.266 ( -3.187 0.000 -0.717) 3.266 7.851 ( 20.617 0.000 9.033) 22.509 7.976 ( 4.135 0.000 9.131) 10.023 8.583 ( 6.787 0.000 -1.176) 6.888 9.037 ( -5.521 0.000 -13.820) 14.883 9.238 ( -13.682 0.000 9.321) 16.555 9.370 ( 2.142 0.000 2.753) 3.488 11.155 ( -3.213 0.000 22.676) 22.903 11.972 ( 0.116 0.000 -6.634) 6.635 12.036 ( -0.223 0.000 10.257) 10.259 12.595 ( 4.821 0.000 -6.907) 8.423 12.702 ( -6.894 0.000 -7.290) 10.034 13.278 ( -4.124 0.000 -18.180) 18.642 14.203 ( 2.000 0.000 14.069) 14.210 14.988 ( 8.369 0.000 -2.587) 8.760 16.708 ( 26.278 0.000 2.529) 26.399 17.023 ( -25.369 0.000 -1.038) 25.391 18.055 ( -17.366 0.000 4.316) 17.894 18.253 ( 21.101 0.000 1.632) 21.164 20.153 ( 16.521 0.000 20.253) 26.136 22.121 ( -10.231 0.000 -24.321) 26.385 22.878 ( -7.376 0.000 6.106) 9.575 23.551 ( -3.452 0.000 -13.773) 14.199 ======================= Grid point 285 (137/260) ======================= q-point: (-0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -25.381 0.000 -2.821) 25.538 3.066 ( -1.638 0.000 -13.450) 13.550 3.193 ( 9.263 0.000 -9.568) 13.317 3.531 ( 4.580 0.000 -13.486) 14.243 3.920 ( -22.899 0.000 13.459) 26.562 4.318 ( 8.881 0.000 2.813) 9.316 4.453 ( 2.469 0.000 4.784) 5.384 4.501 ( -20.400 0.000 -11.329) 23.335 5.779 ( -17.235 0.000 12.282) 21.163 6.034 ( 4.035 0.000 12.067) 12.723 6.616 ( 3.634 0.000 -2.058) 4.177 6.823 ( -1.172 0.000 5.110) 5.243 6.823 ( 5.558 0.000 -0.294) 5.565 7.298 ( 5.468 0.000 -8.153) 9.817 8.088 ( 5.201 0.000 9.624) 10.939 8.266 ( 17.454 0.000 3.102) 17.728 8.635 ( -6.160 0.000 10.341) 12.036 8.923 ( -4.467 0.000 -14.919) 15.574 9.097 ( 4.119 0.000 1.678) 4.447 9.386 ( -0.524 0.000 3.345) 3.386 11.012 ( -10.602 0.000 11.475) 15.623 11.856 ( -8.932 0.000 -1.961) 9.145 12.043 ( 0.695 0.000 20.581) 20.593 12.666 ( 3.185 0.000 -6.219) 6.987 12.713 ( 2.470 0.000 -13.618) 13.840 13.331 ( 11.636 0.000 -15.002) 18.986 14.237 ( 0.672 0.000 11.219) 11.239 15.112 ( 3.496 0.000 -2.491) 4.292 16.612 ( -14.405 0.000 -1.638) 14.498 17.224 ( 21.246 0.000 10.456) 23.679 17.828 ( -1.481 0.000 -1.156) 1.879 18.667 ( 18.338 0.000 0.171) 18.339 20.486 ( 15.142 0.000 24.874) 29.120 21.874 ( -13.590 0.000 -32.434) 35.166 22.695 ( -10.277 0.000 6.224) 12.015 23.474 ( -3.325 0.000 -9.166) 9.751 ======================= Grid point 286 (138/260) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -14.170 0.000 13.222) 19.381 2.958 ( -10.488 0.000 0.576) 10.504 3.352 ( 5.309 0.000 -6.320) 8.254 3.493 ( -13.796 0.000 5.243) 14.758 3.695 ( 9.048 0.000 -18.983) 21.029 4.069 ( -18.150 0.000 1.636) 18.224 4.468 ( 5.263 0.000 10.839) 12.050 4.531 ( 3.692 0.000 -4.009) 5.450 5.316 ( -25.890 0.000 15.239) 30.042 5.966 ( -7.752 0.000 9.844) 12.530 6.763 ( 9.210 0.000 -11.559) 14.779 6.825 ( -0.027 0.000 3.123) 3.123 7.048 ( 13.658 0.000 6.027) 14.929 7.431 ( 6.300 0.000 -9.866) 11.706 8.148 ( -0.031 0.000 6.292) 6.292 8.299 ( -13.229 0.000 10.445) 16.856 8.648 ( 9.704 0.000 5.054) 10.941 8.876 ( 0.658 0.000 -15.701) 15.714 9.317 ( 13.543 0.000 -2.513) 13.774 9.369 ( -0.671 0.000 5.315) 5.357 10.779 ( -10.969 0.000 2.697) 11.296 11.650 ( -10.652 0.000 -5.337) 11.914 12.068 ( 0.616 0.000 26.085) 26.093 12.690 ( -2.246 0.000 -13.642) 13.825 12.805 ( 10.056 0.000 -4.470) 11.005 13.673 ( 18.420 0.000 -12.982) 22.535 14.244 ( 0.628 0.000 9.949) 9.969 15.136 ( -0.647 0.000 -1.511) 1.643 16.430 ( -3.471 0.000 -2.914) 4.532 17.486 ( 7.533 0.000 16.211) 17.876 18.107 ( 25.017 0.000 -3.051) 25.202 18.962 ( 9.274 0.000 -0.120) 9.275 20.788 ( 13.560 0.000 28.483) 31.546 21.525 ( -19.600 0.000 -38.406) 43.119 22.477 ( -10.751 0.000 6.084) 12.353 23.421 ( -1.549 0.000 -5.895) 6.095 ======================= Grid point 287 (139/260) ======================= q-point: (-0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 7.545 0.000 29.047) 30.011 2.599 ( -22.454 0.000 18.146) 28.869 3.307 ( -11.618 0.000 -1.771) 11.752 3.379 ( 1.602 0.000 -10.729) 10.848 3.861 ( -0.128 0.000 16.196) 16.196 3.917 ( 12.010 0.000 -17.021) 20.832 4.542 ( 1.718 0.000 16.512) 16.601 4.624 ( 5.749 0.000 -6.026) 8.329 4.810 ( -22.127 0.000 11.585) 24.977 5.812 ( -6.708 0.000 7.549) 10.099 6.771 ( -6.269 0.000 1.120) 6.368 6.927 ( 6.895 0.000 -19.361) 20.552 7.289 ( 6.669 0.000 16.031) 17.362 7.484 ( -2.059 0.000 -6.674) 6.985 8.097 ( -3.860 0.000 10.742) 11.414 8.137 ( 1.306 0.000 -3.338) 3.585 8.787 ( 3.067 0.000 -1.648) 3.482 8.909 ( 1.784 0.000 -19.095) 19.178 9.388 ( 2.728 0.000 10.640) 10.984 9.584 ( 12.219 0.000 -0.832) 12.247 10.601 ( -6.086 0.000 -2.635) 6.632 11.425 ( -10.834 0.000 -10.155) 14.849 12.069 ( -1.446 0.000 24.592) 24.634 12.662 ( 0.311 0.000 -12.022) 12.026 13.058 ( 14.171 0.000 -3.148) 14.517 13.916 ( 2.802 0.000 -6.003) 6.625 14.366 ( 12.959 0.000 4.447) 13.701 15.099 ( -2.958 0.000 0.781) 3.059 16.451 ( 5.096 0.000 -4.702) 6.934 17.689 ( 11.647 0.000 3.911) 12.286 18.669 ( 26.968 0.000 4.835) 27.398 19.020 ( -3.646 0.000 1.548) 3.962 21.046 ( 9.606 0.000 29.073) 30.619 21.081 ( -19.723 0.000 -33.883) 39.205 22.280 ( -7.693 0.000 5.694) 9.571 23.401 ( -0.544 0.000 -5.419) 5.446 ======================= Grid point 288 (140/260) ======================= q-point: (-0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 18.357 0.000 31.292) 36.279 2.150 ( -20.130 0.000 23.376) 30.849 2.980 ( -16.402 0.000 9.152) 18.782 3.476 ( 7.020 0.000 -13.274) 15.016 3.994 ( 9.928 0.000 29.849) 31.457 4.132 ( 7.806 0.000 -15.293) 17.170 4.446 ( -12.875 0.000 4.416) 13.612 4.574 ( 2.317 0.000 19.658) 19.794 4.788 ( 10.431 0.000 -10.483) 14.788 5.707 ( -3.578 0.000 6.589) 7.498 6.562 ( -13.096 0.000 0.683) 13.114 7.028 ( 3.500 0.000 -22.472) 22.743 7.261 ( -9.351 0.000 20.313) 22.361 7.385 ( -5.608 0.000 -1.948) 5.937 8.119 ( 2.999 0.000 7.071) 7.680 8.267 ( 10.954 0.000 -8.706) 13.993 8.785 ( -2.145 0.000 -5.183) 5.609 8.912 ( -0.804 0.000 -22.454) 22.468 9.475 ( 4.448 0.000 14.225) 14.904 9.838 ( 13.287 0.000 2.110) 13.453 10.514 ( -2.988 0.000 -7.788) 8.342 11.216 ( -8.576 0.000 -14.491) 16.839 12.024 ( -3.400 0.000 18.722) 19.029 12.695 ( 2.959 0.000 -9.941) 10.372 13.360 ( 14.771 0.000 -3.025) 15.077 13.866 ( -5.099 0.000 1.248) 5.250 14.682 ( 15.041 0.000 -1.313) 15.098 15.008 ( -6.137 0.000 2.797) 6.744 16.605 ( 9.043 0.000 -5.299) 10.481 17.822 ( -5.338 0.000 -13.702) 14.705 18.848 ( -11.556 0.000 4.044) 12.243 19.030 ( 4.115 0.000 -3.130) 5.170 20.995 ( 21.068 0.000 -8.948) 22.890 21.120 ( -5.212 0.000 24.493) 25.041 22.220 ( 2.916 0.000 7.213) 7.780 23.378 ( -2.045 0.000 -7.070) 7.360 ======================= Grid point 289 (141/260) ======================= q-point: ( 0.00 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -3.071 7.152 26.635) 27.749 2.260 ( 6.126 11.558 27.451) 30.409 2.942 ( -3.237 14.064 8.169) 16.584 3.511 ( 3.232 -9.646 -12.807) 16.355 4.069 ( -3.636 -0.800 -3.791) 5.313 4.294 ( 7.473 6.519 32.303) 33.791 4.490 ( -0.696 9.975 0.559) 10.015 4.661 ( 11.444 -1.580 6.585) 13.298 5.150 ( 15.898 7.667 -8.795) 19.720 5.700 ( -3.526 2.760 7.706) 8.913 6.344 ( -8.220 4.774 -1.379) 9.605 6.926 ( -16.782 -5.411 19.350) 26.179 7.040 ( 1.299 -1.607 -21.819) 21.917 7.281 ( -2.858 -1.234 0.279) 3.125 8.093 ( -1.584 -2.764 4.617) 5.609 8.557 ( 10.038 4.770 -6.489) 12.869 8.722 ( 0.737 -2.689 -6.723) 7.278 8.880 ( -3.306 0.490 -18.773) 19.068 9.514 ( 0.736 -2.400 13.462) 13.694 10.192 ( 12.495 4.010 1.505) 13.209 10.435 ( -2.606 -0.575 -9.838) 10.193 11.157 ( -3.368 5.591 -18.310) 19.439 11.933 ( -1.630 -1.416 13.118) 13.295 12.828 ( 5.805 6.240 -6.620) 10.792 13.599 ( 9.947 -3.966 -2.215) 10.935 13.783 ( -5.152 2.311 2.838) 6.320 14.769 ( 0.387 -8.107 2.405) 8.465 14.850 ( -3.228 -5.645 -4.644) 7.991 16.743 ( 1.232 -5.108 1.606) 5.495 17.220 ( -41.500 -1.227 -10.614) 42.854 18.623 ( -1.514 -0.639 2.986) 3.408 19.029 ( 0.552 -2.662 -4.587) 5.332 20.787 ( -20.040 -4.557 16.719) 26.494 21.462 ( 39.903 -25.139 2.543) 47.230 22.746 ( 17.400 23.083 -1.290) 28.935 23.304 ( -5.591 0.998 -8.154) 9.937 ======================= Grid point 290 (142/260) ======================= q-point: ( 0.10 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 7.795 12.679 24.078) 28.307 2.272 ( -1.489 13.359 26.485) 29.701 3.079 ( 13.027 3.680 3.162) 13.901 3.528 ( -0.878 -14.120 -14.215) 20.055 3.997 ( -3.802 0.494 -8.465) 9.292 4.196 ( -9.893 9.561 -3.980) 14.322 4.747 ( 17.361 5.563 30.349) 35.403 4.946 ( 15.482 -0.795 9.028) 17.940 5.487 ( 14.574 2.664 -3.933) 15.328 5.649 ( 0.120 0.595 1.862) 1.958 6.224 ( -3.727 7.789 -2.923) 9.117 6.528 ( -20.949 -4.201 15.016) 26.115 7.084 ( 3.603 0.075 -17.438) 17.806 7.221 ( -2.737 1.900 2.372) 4.090 7.980 ( -8.686 -0.620 4.578) 9.838 8.669 ( -4.036 1.847 -8.858) 9.908 8.771 ( 4.861 0.353 -2.542) 5.497 8.863 ( 4.505 -1.534 -11.229) 12.196 9.485 ( -3.793 -1.137 9.357) 10.160 10.242 ( -6.374 -0.917 -9.021) 11.084 10.560 ( 12.755 -0.376 2.326) 12.970 11.162 ( 4.370 4.145 -17.953) 18.936 11.922 ( 0.630 1.676 6.505) 6.747 12.926 ( 3.634 9.424 -5.668) 11.582 13.681 ( -3.037 -1.369 2.337) 4.069 13.723 ( -1.045 -3.635 -3.375) 5.069 14.666 ( -4.732 -1.584 -1.192) 5.130 14.810 ( -5.924 -8.492 -0.235) 10.357 16.178 ( -37.031 -7.859 12.444) 39.849 16.965 ( 4.386 5.163 1.681) 6.980 18.611 ( 2.135 2.471 1.269) 3.504 19.027 ( -3.441 -8.770 -2.229) 9.681 20.312 ( -24.803 2.233 12.869) 28.032 22.195 ( 28.703 -27.081 0.023) 39.462 23.080 ( 4.826 9.791 -12.921) 16.915 23.174 ( 2.266 8.865 -6.846) 11.428 ======================= Grid point 291 (143/260) ======================= q-point: ( 0.20 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 10.142 10.009 23.928) 27.849 2.359 ( 11.310 10.587 14.086) 20.938 3.376 ( 13.464 -1.211 2.639) 13.774 3.492 ( -0.435 -13.890 -18.017) 22.753 3.887 ( -6.445 -0.597 -7.629) 10.005 3.993 ( -9.117 9.377 -19.738) 23.678 5.096 ( 14.596 1.365 23.345) 27.566 5.263 ( 12.797 3.215 14.978) 19.961 5.562 ( -0.778 -2.476 7.554) 7.988 5.808 ( 5.106 -2.740 -6.704) 8.861 6.095 ( -13.182 -3.354 9.276) 16.464 6.257 ( 4.096 8.915 -4.905) 10.969 7.182 ( 2.856 0.371 -6.944) 7.518 7.194 ( 3.885 5.666 1.564) 7.046 7.775 ( -10.676 0.283 3.238) 11.160 8.482 ( -12.389 -1.804 -2.299) 12.729 8.810 ( -1.712 4.829 -1.137) 5.248 8.997 ( 6.930 -1.283 -5.614) 9.011 9.389 ( -5.094 0.893 1.872) 5.500 10.064 ( -9.810 1.125 -7.199) 12.220 10.803 ( 10.206 -4.281 8.927) 14.219 11.305 ( 9.344 2.386 -13.991) 16.993 11.963 ( 2.833 3.071 0.730) 4.241 12.951 ( -1.814 8.592 -4.619) 9.922 13.585 ( -9.419 -4.054 2.362) 10.522 13.624 ( -3.920 -0.090 -5.764) 6.971 14.512 ( -13.830 -4.668 -1.849) 14.713 14.686 ( -1.717 1.814 2.311) 3.403 15.714 ( -7.262 -0.695 16.043) 17.624 17.123 ( 11.139 1.472 6.172) 12.819 18.646 ( -7.328 -0.084 -0.924) 7.387 18.855 ( -7.416 -17.151 1.391) 18.738 19.867 ( -16.865 12.922 11.606) 24.210 22.622 ( 12.416 -18.742 3.380) 22.734 22.893 ( -10.112 2.564 -13.945) 17.415 23.413 ( 10.069 5.330 -14.668) 18.573 ======================= Grid point 292 (144/260) ======================= q-point: ( 0.30 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 9.825 0.073 13.524) 16.716 2.693 ( 18.208 11.867 9.192) 23.598 3.346 ( -9.384 -10.534 -12.863) 19.092 3.725 ( 10.346 -3.113 -11.621) 15.867 3.783 ( -0.586 -2.864 -7.760) 8.292 3.821 ( -3.599 7.673 -21.051) 22.693 5.232 ( -12.388 -6.490 12.042) 18.455 5.345 ( 2.042 0.715 6.070) 6.444 5.586 ( 2.432 6.517 21.006) 22.128 5.766 ( -0.783 -9.428 0.994) 9.513 6.057 ( 7.747 2.034 1.762) 8.201 6.495 ( 15.305 6.392 -7.879) 18.363 7.223 ( 3.426 -0.504 5.895) 6.837 7.332 ( 5.498 6.480 -3.312) 9.120 7.571 ( -8.741 0.703 3.271) 9.359 8.203 ( -12.981 -0.034 6.164) 14.370 8.708 ( -7.215 6.058 -0.670) 9.445 9.121 ( 5.026 -0.511 -4.534) 6.788 9.287 ( -4.786 0.210 -2.594) 5.448 9.857 ( -9.948 5.158 -1.405) 11.293 10.988 ( 7.695 -4.360 16.814) 18.998 11.520 ( 11.791 -0.850 -12.209) 16.995 12.002 ( 0.065 0.386 -0.623) 0.736 12.830 ( -9.344 3.695 -3.500) 10.641 13.370 ( -10.425 6.684 2.468) 12.627 13.545 ( -4.334 -0.540 -12.264) 13.019 14.231 ( -10.706 -3.827 5.324) 12.554 14.704 ( 3.377 4.029 -0.369) 5.270 15.820 ( 14.289 1.828 10.028) 17.552 17.422 ( 17.365 0.346 6.524) 18.553 18.155 ( -32.097 -15.171 0.823) 35.511 18.818 ( -4.908 -0.541 0.878) 5.015 19.684 ( -0.445 11.686 12.974) 17.467 22.565 ( -11.652 -1.428 -9.979) 15.408 22.896 ( 5.379 -7.503 -0.692) 9.258 23.539 ( 3.075 -1.973 -16.242) 16.648 ======================= Grid point 293 (145/260) ======================= q-point: ( 0.40 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 7.867 -5.949 0.715) 9.889 3.001 ( -0.768 1.642 1.538) 2.378 3.101 ( -1.844 5.685 -8.554) 10.435 3.611 ( -7.373 0.954 -25.310) 26.379 3.837 ( 6.437 -4.986 -14.829) 16.917 4.071 ( 13.601 -2.410 1.237) 13.868 4.819 ( -22.878 -7.126 12.740) 27.139 5.285 ( -10.069 -1.323 -7.360) 12.542 5.657 ( 5.435 6.194 12.878) 15.289 5.831 ( 6.298 -6.423 9.342) 12.969 6.294 ( 12.538 3.796 5.719) 14.294 6.763 ( 8.582 1.977 -5.823) 10.558 7.240 ( -8.359 3.079 -4.096) 9.805 7.389 ( 0.578 0.694 -2.652) 2.802 7.458 ( 3.599 -2.080 17.714) 18.195 8.055 ( -0.897 8.022 9.941) 12.806 8.578 ( -3.751 4.448 -2.256) 6.241 9.124 ( -5.616 0.552 -8.163) 9.924 9.256 ( 2.793 -3.182 2.205) 4.773 9.660 ( -9.324 10.723 2.230) 14.384 11.131 ( 5.312 -1.475 23.146) 23.794 11.760 ( 9.950 -5.183 -7.903) 13.724 11.961 ( -2.283 -6.541 -3.812) 7.908 12.625 ( -9.145 2.313 -2.990) 9.895 13.155 ( -10.360 15.921 0.588) 19.004 13.436 ( -5.260 2.391 -16.972) 17.928 14.117 ( -1.333 -4.629 12.077) 13.002 14.818 ( 7.022 1.143 -3.293) 7.840 16.222 ( 23.501 2.798 4.328) 24.059 17.474 ( -31.199 -13.664 1.255) 34.083 17.829 ( 20.343 0.329 4.379) 20.812 18.574 ( -17.208 9.935 2.234) 19.996 19.828 ( 12.016 1.834 15.588) 19.766 22.320 ( -11.448 -1.411 -15.945) 19.679 22.952 ( -0.139 -3.403 2.525) 4.240 23.548 ( -1.295 -5.078 -15.123) 16.005 ======================= Grid point 294 (146/260) ======================= q-point: (-0.50 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( -18.645 -2.328 -10.242) 21.400 2.839 ( 3.154 -6.575 -4.606) 8.625 3.267 ( 5.598 12.211 -8.328) 15.805 3.490 ( -2.614 -1.920 -18.326) 18.611 4.013 ( 9.729 -8.160 -4.935) 13.624 4.197 ( -10.361 -11.021 11.916) 19.256 4.457 ( -3.447 3.598 1.303) 5.151 4.980 ( -17.470 1.953 -10.536) 20.494 5.838 ( 9.829 1.435 9.735) 13.908 5.954 ( 4.476 0.284 10.773) 11.669 6.521 ( 8.909 2.800 4.597) 10.409 6.779 ( -7.956 -5.635 3.755) 10.448 7.015 ( -6.949 5.281 -5.845) 10.504 7.298 ( -4.701 3.677 1.490) 6.152 7.761 ( 18.252 -4.761 11.136) 21.904 8.116 ( 6.131 9.472 5.825) 12.697 8.548 ( -2.358 -4.043 0.445) 4.702 9.020 ( -1.225 3.748 -5.398) 6.685 9.295 ( -0.694 -0.028 0.717) 0.998 9.486 ( -6.779 12.947 2.502) 14.827 11.187 ( -1.647 3.036 21.426) 21.702 11.768 ( -4.516 -14.099 8.380) 17.012 12.063 ( 7.807 -3.127 -12.797) 15.313 12.482 ( -4.460 -2.212 -4.924) 7.002 12.982 ( -5.550 17.524 -2.727) 18.583 13.362 ( -0.082 8.922 -14.374) 16.918 14.133 ( 1.452 -6.254 12.757) 14.281 14.958 ( 6.144 -3.465 -4.482) 8.357 16.754 ( 27.317 4.611 2.599) 27.826 16.903 ( -23.066 -11.120 -0.191) 25.607 18.143 ( -10.263 7.355 4.955) 13.563 18.317 ( 13.473 7.145 0.589) 15.261 20.120 ( 14.935 -3.411 19.939) 25.144 22.077 ( -12.143 -4.294 -22.196) 25.662 22.896 ( -5.246 1.335 3.270) 6.324 23.496 ( -2.881 -5.310 -12.219) 13.631 ======================= Grid point 295 (147/260) ======================= q-point: (-0.40 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -21.842 5.248 -1.789) 22.535 2.944 ( 4.743 -7.480 -10.491) 13.729 3.273 ( -3.761 2.197 -7.149) 8.372 3.518 ( 3.309 -2.671 -6.859) 8.070 3.832 ( -15.870 -5.080 3.106) 16.950 4.182 ( 4.847 -8.959 5.748) 11.697 4.539 ( 4.724 6.999 -0.440) 8.456 4.625 ( -14.569 7.794 -11.179) 19.949 5.826 ( -12.459 3.952 10.216) 16.589 6.092 ( 5.029 5.628 12.852) 14.904 6.572 ( -4.150 -5.360 -1.006) 6.853 6.691 ( 5.887 -5.153 6.057) 9.894 6.957 ( -0.052 6.203 -1.418) 6.363 7.303 ( 6.040 1.668 -6.363) 8.930 8.081 ( 10.986 -1.326 11.540) 15.988 8.314 ( 9.594 1.326 -0.416) 9.694 8.383 ( -9.937 -12.478 8.022) 17.854 9.133 ( 10.744 9.137 -3.573) 14.550 9.192 ( -7.765 10.945 -6.159) 14.766 9.420 ( -0.682 5.147 4.103) 6.618 11.058 ( -10.425 4.851 9.455) 14.887 11.720 ( -0.927 -10.799 13.552) 17.353 12.108 ( -3.340 3.912 0.078) 5.145 12.451 ( 1.506 -12.088 -9.315) 15.335 12.929 ( -0.079 12.232 -7.911) 14.568 13.481 ( 12.461 14.010 -10.279) 21.382 14.158 ( 0.469 -7.544 10.750) 13.141 15.053 ( 3.155 -5.862 -3.750) 7.640 16.536 ( -12.387 -7.180 -1.750) 14.424 17.297 ( 22.060 7.162 8.182) 24.594 17.898 ( -4.279 6.786 1.195) 8.111 18.700 ( 17.355 3.319 -0.801) 17.687 20.433 ( 14.739 -5.642 25.060) 29.616 21.788 ( -15.750 -8.003 -28.666) 33.673 22.751 ( -8.538 5.062 2.652) 10.274 23.439 ( -2.172 -3.558 -8.415) 9.391 ======================= Grid point 296 (148/260) ======================= q-point: (-0.30 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -11.342 11.781 12.978) 20.877 2.907 ( -13.521 -5.310 7.040) 16.143 3.169 ( -0.669 -11.106 -5.327) 12.336 3.514 ( -0.964 -1.570 1.707) 2.512 3.772 ( 7.215 6.650 -16.407) 19.117 4.118 ( -9.922 1.907 -1.143) 10.168 4.464 ( -0.134 4.248 6.368) 7.656 4.640 ( 4.160 7.344 -3.581) 9.169 5.430 ( -23.971 11.051 14.102) 29.927 6.038 ( -7.732 7.024 9.801) 14.324 6.629 ( 6.835 -8.918 -6.609) 13.035 6.832 ( 6.015 -7.033 4.884) 10.464 7.003 ( 4.630 -0.088 -1.287) 4.806 7.493 ( 10.661 5.436 -7.793) 14.281 8.038 ( -14.710 -12.309 9.967) 21.615 8.264 ( 3.879 -1.632 8.911) 9.854 8.575 ( 10.117 -1.347 2.310) 10.465 9.038 ( -6.160 8.847 -13.432) 17.223 9.372 ( 8.674 6.607 2.449) 11.175 9.441 ( 5.335 6.858 -0.254) 8.693 10.826 ( -11.063 5.040 1.393) 12.237 11.675 ( -5.306 1.615 2.882) 6.250 12.013 ( -3.784 -4.178 14.700) 15.744 12.508 ( 3.801 -11.524 -8.582) 14.863 12.967 ( 4.421 9.577 -7.544) 12.968 13.806 ( 16.475 11.938 -10.008) 22.674 14.169 ( 1.350 -7.208 9.039) 11.640 15.085 ( 0.127 -5.140 -1.788) 5.443 16.388 ( -2.144 -3.680 -4.161) 5.954 17.522 ( 4.648 3.608 15.500) 16.579 18.156 ( 24.729 4.835 -2.513) 25.322 18.958 ( 6.544 -0.576 -1.838) 6.822 20.739 ( 14.213 -5.455 28.978) 32.733 21.401 ( -21.004 -10.658 -31.637) 39.442 22.567 ( -8.850 7.853 1.060) 11.879 23.407 ( -0.699 -1.376 -5.672) 5.878 ======================= Grid point 297 (149/260) ======================= q-point: (-0.20 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 6.677 13.929 26.716) 30.860 2.513 ( -20.914 -6.266 21.734) 30.806 3.234 ( 4.420 -3.828 -9.937) 11.530 3.472 ( -5.846 3.969 -2.416) 7.468 3.904 ( 2.889 3.463 9.668) 10.668 4.026 ( 5.970 11.043 -16.098) 20.414 4.488 ( 0.611 -1.472 13.682) 13.774 4.717 ( 3.415 6.508 0.444) 7.363 4.953 ( -19.964 13.846 8.280) 25.668 5.884 ( -6.671 6.854 7.207) 11.976 6.711 ( -1.630 -5.260 -3.115) 6.326 6.901 ( 2.888 -4.202 -11.647) 12.714 7.140 ( 6.723 -10.365 7.109) 14.254 7.562 ( -8.017 2.041 5.939) 10.184 7.897 ( 4.973 -8.445 1.216) 9.875 8.302 ( 0.819 7.233 1.851) 7.511 8.739 ( 5.218 -3.548 1.343) 6.451 8.940 ( -2.669 2.507 -18.909) 19.261 9.430 ( 1.335 3.866 8.580) 9.505 9.671 ( 12.347 8.024 -2.957) 15.019 10.634 ( -7.347 3.800 -2.680) 8.695 11.501 ( -10.250 7.459 -9.600) 15.902 11.981 ( -0.819 -8.361 21.705) 23.274 12.594 ( 4.860 -5.516 -7.429) 10.452 13.116 ( 10.088 4.557 -4.895) 12.104 13.975 ( -0.686 3.479 -0.371) 3.566 14.329 ( 13.950 -1.986 -1.515) 14.171 15.061 ( -2.434 -3.952 0.286) 4.650 16.431 ( 5.868 -1.316 -5.219) 7.963 17.704 ( 12.823 1.062 6.313) 14.332 18.683 ( 23.691 1.370 1.820) 23.800 18.936 ( -8.313 -8.335 -1.239) 11.837 20.947 ( -19.563 -10.663 -24.444) 33.074 21.007 ( 9.381 -4.272 29.196) 30.962 22.423 ( -3.933 12.046 -0.304) 12.675 23.399 ( -0.241 -0.080 -5.121) 5.128 ======================= Grid point 298 (150/260) ======================= q-point: (-0.10 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 11.657 8.385 29.257) 32.591 2.161 ( -10.469 2.648 25.343) 27.548 3.160 ( -13.305 15.513 4.993) 21.038 3.419 ( 4.647 -5.397 -11.346) 13.396 4.042 ( 9.972 5.227 25.214) 27.614 4.135 ( 1.181 2.536 -9.647) 10.045 4.501 ( 2.713 -3.766 16.866) 17.493 4.623 ( -8.791 13.917 3.377) 16.804 4.882 ( 9.574 7.942 -9.806) 15.840 5.776 ( -4.266 6.183 6.983) 10.256 6.554 ( -11.052 -0.540 -0.030) 11.065 6.976 ( 3.739 -4.902 -19.313) 20.273 7.193 ( -4.755 -6.839 17.851) 19.699 7.361 ( -7.465 -3.435 1.050) 8.284 8.041 ( 5.813 -4.561 2.663) 7.854 8.373 ( 6.928 8.573 -5.769) 12.441 8.751 ( -2.427 -3.502 -6.789) 8.015 8.925 ( -0.017 1.257 -18.034) 18.078 9.469 ( 2.349 -0.259 12.352) 12.576 9.922 ( 12.621 7.433 -0.007) 14.647 10.516 ( -4.468 0.835 -6.758) 8.144 11.294 ( -8.831 6.883 -15.144) 18.833 11.964 ( -1.586 -5.210 18.782) 19.556 12.705 ( 6.045 1.021 -7.113) 9.390 13.357 ( 12.696 -0.687 -3.140) 13.097 13.896 ( -5.505 2.287 3.480) 6.903 14.608 ( 11.887 -6.297 -3.719) 13.957 14.979 ( -5.793 -3.482 0.449) 6.774 16.594 ( 9.240 -0.895 -3.950) 10.089 17.859 ( -8.146 3.442 -13.548) 16.179 18.673 ( -9.273 -16.729 3.317) 19.413 19.027 ( 5.065 -0.814 -2.841) 5.864 20.815 ( 13.842 -12.481 -1.193) 18.676 21.067 ( -5.632 -5.804 23.073) 24.450 22.463 ( 8.590 19.361 0.659) 21.191 23.380 ( -1.863 0.400 -6.340) 6.621 ======================= Grid point 299 (151/260) ======================= q-point: ( 0.00 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 1.164 12.626 23.074) 26.328 2.464 ( 9.372 9.215 23.323) 26.772 3.290 ( -8.283 17.553 2.418) 19.559 3.342 ( -1.256 -4.169 -6.302) 7.660 4.093 ( -5.147 1.991 1.064) 5.621 4.413 ( 6.719 3.480 18.783) 20.249 4.579 ( 9.911 7.416 29.645) 32.126 4.811 ( -1.384 12.182 -18.155) 21.908 5.329 ( 14.501 10.884 -7.478) 19.613 5.728 ( -7.603 -0.299 11.097) 13.455 6.456 ( -4.639 4.649 -3.107) 7.266 6.801 ( -13.233 -6.021 13.186) 19.627 7.007 ( 2.738 -2.264 -16.227) 16.612 7.191 ( 0.293 -7.960 4.173) 8.992 8.064 ( 1.270 -0.034 -1.251) 1.784 8.633 ( 4.054 -3.366 -3.955) 6.589 8.727 ( 5.907 9.401 -8.945) 14.258 8.903 ( -5.306 2.373 -13.672) 14.857 9.462 ( 0.002 -2.531 12.081) 12.343 10.230 ( 5.251 -1.319 -5.826) 7.953 10.468 ( -1.262 4.554 -2.729) 5.458 11.234 ( -4.370 1.371 -15.526) 16.187 11.945 ( 2.012 3.467 16.097) 16.588 12.969 ( 10.347 7.581 -5.441) 13.933 13.473 ( 6.183 -9.240 0.372) 11.124 13.828 ( -3.824 1.288 6.447) 7.606 14.593 ( 2.858 -8.211 -4.703) 9.885 14.743 ( -6.512 -4.717 -8.709) 11.853 16.544 ( -15.579 -14.948 10.406) 23.967 17.265 ( -23.659 6.025 -11.765) 27.101 18.613 ( 8.006 -0.420 -1.021) 8.082 18.924 ( -5.098 -8.656 -6.743) 12.098 20.692 ( -14.354 -4.520 15.015) 21.258 21.062 ( 29.761 -16.033 7.250) 34.574 23.098 ( 15.003 12.813 -3.788) 20.090 23.336 ( -5.117 2.694 -6.584) 8.763 ======================= Grid point 300 (152/260) ======================= q-point: ( 0.10 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 9.187 13.001 19.123) 24.882 2.577 ( 0.357 15.669 24.107) 28.754 3.202 ( 1.922 9.685 2.716) 10.241 3.293 ( -2.516 -8.747 -9.878) 13.432 4.010 ( -4.250 0.866 -2.991) 5.269 4.343 ( -9.255 5.686 -3.165) 11.314 4.842 ( 11.781 4.395 24.283) 27.346 5.018 ( 19.173 8.163 5.782) 21.625 5.534 ( 1.036 1.886 6.511) 6.857 5.664 ( 5.129 1.092 -4.112) 6.664 6.300 ( -12.677 -4.318 4.084) 14.001 6.513 ( -10.357 6.294 0.386) 12.126 7.088 ( 4.781 -1.408 -15.668) 16.441 7.212 ( 2.112 -1.750 6.348) 6.915 7.994 ( -7.310 2.192 2.125) 7.922 8.689 ( -6.561 -1.498 -6.521) 9.371 8.830 ( 4.617 3.820 -6.280) 8.680 8.855 ( 6.976 5.366 -7.347) 11.465 9.455 ( -1.400 -1.854 9.600) 9.877 10.204 ( -5.196 -3.536 -12.212) 13.734 10.557 ( 7.077 -0.007 2.032) 7.363 11.220 ( 3.232 1.383 -11.340) 11.873 11.999 ( 2.919 6.432 11.514) 13.508 13.134 ( 5.107 10.686 -9.359) 15.095 13.531 ( -0.646 -11.172 4.560) 12.084 13.744 ( -4.501 3.566 -0.653) 5.779 14.601 ( -4.136 -11.274 -3.266) 12.445 14.666 ( 0.992 1.049 -4.133) 4.378 15.983 ( -27.826 -11.894 13.533) 33.150 17.096 ( 0.029 8.362 -0.329) 8.368 18.628 ( -1.817 -5.045 -2.685) 5.996 18.812 ( -8.764 -9.357 -2.293) 13.024 20.388 ( -14.415 5.568 11.371) 19.186 21.710 ( 29.836 -22.906 2.194) 37.679 23.179 ( -9.254 4.125 -10.181) 14.364 23.357 ( 9.194 6.830 -5.268) 12.607 ======================= Grid point 301 (153/260) ======================= q-point: ( 0.20 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 6.192 14.209 21.189) 26.253 2.593 ( 6.388 13.735 14.800) 21.178 3.238 ( -1.536 -10.240 -13.360) 16.903 3.373 ( 11.868 -0.599 0.219) 11.885 3.882 ( -7.761 0.550 -3.980) 8.740 4.138 ( -9.785 6.082 -17.459) 20.918 5.083 ( 9.683 -2.319 16.900) 19.615 5.363 ( 6.816 4.098 9.026) 12.030 5.557 ( 6.536 1.458 16.612) 17.910 5.704 ( -4.688 -4.668 -2.437) 7.051 6.038 ( -7.546 -3.046 0.808) 8.178 6.447 ( 4.042 9.898 -8.151) 13.444 7.148 ( 1.244 -4.629 0.697) 4.843 7.327 ( 8.433 7.761 -1.326) 11.537 7.805 ( -10.229 3.091 3.070) 11.118 8.477 ( -11.650 0.637 -2.147) 11.863 8.890 ( -0.907 3.515 -1.134) 3.803 9.011 ( 7.554 4.010 -5.343) 10.084 9.408 ( -3.475 0.941 4.498) 5.761 10.077 ( -6.045 -0.490 -11.010) 12.570 10.702 ( 7.123 -5.735 2.077) 9.378 11.330 ( 6.853 -0.427 -3.773) 7.835 12.056 ( 1.473 6.445 6.746) 9.445 13.128 ( -5.862 7.827 -12.474) 15.850 13.504 ( -0.702 -3.157 8.449) 9.047 13.646 ( -4.643 3.242 -5.196) 7.685 14.430 ( -11.593 -4.742 0.223) 12.528 14.717 ( 2.625 2.687 -3.780) 5.329 15.675 ( -1.362 -3.718 10.708) 11.416 17.168 ( 7.569 3.260 6.305) 10.376 18.395 ( -23.927 -22.931 0.908) 33.154 18.730 ( 4.093 2.006 -1.882) 4.932 20.130 ( -11.076 13.852 10.126) 20.423 22.220 ( 19.262 -21.800 1.807) 29.146 22.954 ( -11.582 3.651 -14.141) 18.640 23.479 ( 3.106 1.403 -7.374) 8.124 ======================= Grid point 302 (154/260) ======================= q-point: ( 0.30 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 1.919 10.339 16.411) 19.491 2.850 ( 12.735 2.570 9.504) 16.097 3.193 ( -2.192 -4.127 -13.924) 14.687 3.642 ( 12.451 -5.897 -5.964) 15.012 3.732 ( -5.847 -0.899 -7.300) 9.397 3.946 ( -7.038 5.238 -19.101) 21.019 5.058 ( -15.933 -11.374 9.155) 21.611 5.347 ( -2.347 -1.503 -3.083) 4.156 5.581 ( 3.951 -5.337 11.434) 13.222 5.772 ( 0.630 8.702 8.615) 12.261 6.070 ( 11.685 0.176 5.922) 13.101 6.643 ( 12.849 8.338 -7.044) 16.859 7.166 ( 1.129 -5.844 9.709) 11.388 7.470 ( 3.167 7.139 -5.045) 9.298 7.613 ( -8.249 4.237 3.955) 10.082 8.272 ( -6.143 6.799 6.123) 11.020 8.790 ( -7.861 1.626 -2.436) 8.389 9.150 ( 5.915 4.255 -3.259) 7.982 9.308 ( -6.229 2.273 1.491) 6.796 9.965 ( -4.691 5.118 -5.449) 8.825 10.860 ( 8.315 -8.540 5.389) 13.081 11.481 ( 7.756 -3.911 0.037) 8.686 12.022 ( -5.292 2.668 2.664) 6.498 12.936 ( -11.045 5.588 -8.702) 15.131 13.497 ( -1.467 5.854 8.234) 10.209 13.562 ( -3.059 3.291 -7.517) 8.757 14.198 ( -9.377 0.579 -0.664) 9.419 14.761 ( 2.174 1.809 -4.579) 5.382 15.859 ( 16.518 1.856 5.145) 17.400 17.429 ( 17.234 0.116 8.250) 19.107 17.805 ( -31.280 -19.339 3.687) 36.960 18.824 ( 2.698 0.921 -1.651) 3.294 19.939 ( -7.256 13.963 11.270) 19.355 22.457 ( 0.628 -11.213 3.485) 11.759 22.766 ( -2.496 -4.019 -18.199) 18.804 23.495 ( -0.876 -2.361 -8.232) 8.609 ======================= Grid point 303 (155/260) ======================= q-point: ( 0.40 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 2.618 2.556 5.041) 6.229 2.902 ( -8.251 -6.546 -0.788) 10.562 3.258 ( 8.527 3.811 -0.050) 9.340 3.610 ( -7.156 -0.758 -16.782) 18.260 3.745 ( 1.839 -3.969 -19.613) 20.095 3.999 ( 8.909 -4.424 2.056) 10.157 4.666 ( -17.913 -8.022 3.158) 19.880 5.224 ( -9.578 -5.104 -11.847) 16.067 5.729 ( 6.838 -1.801 11.175) 13.224 5.797 ( 5.541 5.772 6.955) 10.601 6.344 ( 12.133 1.703 10.516) 16.146 6.808 ( 0.125 1.955 1.213) 2.304 7.280 ( 7.260 -2.041 4.367) 8.714 7.400 ( -5.768 5.358 0.718) 7.906 7.491 ( -1.701 4.306 2.107) 5.087 8.255 ( 1.247 11.617 9.373) 14.978 8.625 ( -6.542 0.260 -2.463) 6.995 9.154 ( -5.816 -1.274 5.275) 7.955 9.273 ( 4.404 8.943 -6.823) 12.080 9.867 ( -5.185 9.977 -0.982) 11.286 11.045 ( 9.172 -8.180 12.955) 17.857 11.627 ( 4.120 -8.042 2.075) 9.271 11.883 ( -5.102 0.224 -4.013) 6.495 12.697 ( -11.683 2.522 -7.894) 14.324 13.420 ( -6.024 10.766 5.226) 13.398 13.527 ( 0.030 6.585 -7.218) 9.771 14.075 ( -2.892 2.123 3.452) 4.979 14.807 ( 2.358 -2.522 -7.603) 8.351 16.294 ( 25.064 4.411 2.185) 25.542 17.164 ( -28.808 -17.018 3.826) 33.677 17.865 ( 22.816 3.149 6.237) 23.862 18.762 ( -9.440 8.831 0.020) 12.927 19.885 ( 2.433 4.194 14.300) 15.099 22.279 ( -13.213 -2.854 -10.784) 17.292 22.833 ( 5.030 -9.284 -6.329) 12.310 23.451 ( -2.974 -4.064 -8.593) 9.960 ======================= Grid point 304 (156/260) ======================= q-point: (-0.50 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( -11.113 0.085 -7.236) 13.262 2.758 ( -0.293 -2.224 1.176) 2.533 3.377 ( 1.559 -5.681 4.887) 7.654 3.456 ( -7.043 0.202 -15.506) 17.032 3.822 ( 3.808 -9.002 -12.701) 16.026 4.036 ( -4.931 -4.075 10.593) 12.375 4.506 ( 3.899 0.739 -9.366) 10.172 4.984 ( -12.309 -1.650 -13.799) 18.565 5.839 ( 4.020 -1.248 7.082) 8.238 5.997 ( 11.672 3.887 9.420) 15.494 6.538 ( 6.070 -1.746 7.133) 9.528 6.691 ( -10.244 -2.646 10.604) 14.979 7.148 ( -5.747 8.312 -5.401) 11.458 7.402 ( -4.704 6.601 2.528) 8.490 7.704 ( 18.006 -1.148 8.149) 19.798 8.241 ( -1.781 1.551 -1.496) 2.796 8.513 ( -6.342 3.445 8.294) 10.995 9.112 ( 2.633 0.825 6.270) 6.850 9.357 ( 3.910 10.476 -9.014) 14.363 9.743 ( -6.886 12.480 0.361) 14.258 11.225 ( 6.709 -2.297 20.350) 21.550 11.538 ( -8.596 -6.228 2.784) 10.974 11.955 ( 9.025 -6.634 -9.091) 14.427 12.464 ( -10.541 -1.717 -10.387) 14.898 13.275 ( -7.376 12.971 1.319) 14.979 13.575 ( 5.153 9.528 -4.479) 11.722 14.044 ( -1.118 0.228 7.550) 7.636 14.853 ( 2.500 -7.262 -8.786) 11.670 16.657 ( -19.100 -13.422 1.141) 23.372 16.870 ( 29.581 7.063 1.774) 30.464 18.278 ( 7.701 6.654 4.472) 11.117 18.523 ( -3.611 13.356 0.564) 13.847 20.028 ( 9.842 -6.056 19.297) 22.492 21.974 ( -15.849 -5.974 -18.582) 25.143 22.899 ( 0.972 -1.831 -1.763) 2.722 23.382 ( -2.912 -5.409 -8.587) 10.558 ======================= Grid point 305 (157/260) ======================= q-point: (-0.40 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -14.247 7.814 0.271) 16.251 2.833 ( 5.290 -4.027 -5.777) 8.808 3.205 ( -15.854 -9.346 12.814) 22.425 3.413 ( 1.838 -5.039 -5.114) 7.411 3.816 ( -0.057 -0.237 -15.269) 15.270 4.057 ( 4.325 -2.062 8.398) 9.668 4.645 ( 6.995 2.804 -12.267) 14.397 4.751 ( -9.041 5.312 -10.396) 14.766 5.870 ( -2.656 -0.693 5.003) 5.707 6.221 ( 7.709 6.802 13.128) 16.675 6.454 ( -8.719 -5.177 5.430) 11.502 6.605 ( -0.686 -4.006 5.807) 7.088 7.087 ( -2.365 7.931 -2.774) 8.728 7.373 ( 5.388 4.554 -0.262) 7.060 7.977 ( 2.811 -8.691 5.755) 10.796 8.180 ( -2.586 -2.536 7.726) 8.533 8.445 ( 3.211 5.809 3.024) 7.294 9.198 ( 2.644 -0.176 6.479) 7.000 9.446 ( 5.769 14.514 -12.576) 20.052 9.603 ( -5.775 11.659 1.207) 13.067 11.198 ( -9.666 9.842 4.634) 14.553 11.506 ( 5.770 -10.973 18.239) 22.054 12.132 ( 6.805 -3.836 -6.863) 10.399 12.252 ( -9.463 -6.521 -10.877) 15.823 13.153 ( -3.790 11.043 -3.703) 12.248 13.741 ( 10.653 7.061 -0.649) 12.797 14.026 ( -0.247 -1.216 5.691) 5.825 14.909 ( 2.972 -8.653 -6.092) 10.991 16.376 ( -7.798 -8.496 -3.033) 11.925 17.472 ( 25.114 10.396 3.140) 27.362 18.064 ( -10.673 10.097 5.335) 15.631 18.784 ( 14.013 5.103 -2.729) 15.161 20.272 ( 13.115 -10.985 25.678) 30.855 21.616 ( -18.476 -8.940 -22.608) 30.536 22.857 ( -5.003 5.474 -2.128) 7.715 23.348 ( 0.032 -5.588 -6.955) 8.922 ======================= Grid point 306 (158/260) ======================= q-point: (-0.30 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( -5.751 15.584 12.520) 20.802 2.777 ( -16.459 -7.053 19.157) 26.223 3.021 ( 4.744 -4.663 -7.839) 10.281 3.486 ( 4.788 0.111 -2.458) 5.384 3.863 ( 3.810 0.516 -7.714) 8.619 4.122 ( 2.502 1.217 0.290) 2.797 4.618 ( -3.019 9.455 -7.513) 12.449 4.768 ( 4.530 5.648 -5.891) 9.334 5.671 ( -16.616 11.729 10.132) 22.723 6.189 ( -8.117 6.801 9.884) 14.486 6.474 ( 7.613 -6.716 -1.928) 10.334 6.605 ( 2.304 -12.166 4.232) 13.085 7.045 ( -1.724 2.731 -2.045) 3.823 7.591 ( 11.576 2.781 -0.193) 11.906 7.784 ( -12.571 -9.902 7.275) 17.578 8.250 ( 5.075 -0.527 10.633) 11.794 8.581 ( 7.087 0.659 -1.084) 7.200 9.157 ( -5.970 4.661 -4.339) 8.729 9.519 ( -0.269 7.723 0.635) 7.754 9.624 ( 9.073 11.082 -6.109) 15.570 10.973 ( -11.089 10.266 -2.544) 15.324 11.654 ( 6.936 -4.270 21.450) 22.944 11.972 ( -13.853 -0.630 -9.860) 17.015 12.315 ( 8.220 -7.314 -3.020) 11.409 13.125 ( 1.058 6.896 -6.377) 9.452 13.911 ( 2.810 -8.346 8.071) 11.945 14.122 ( 11.517 8.380 -6.132) 15.507 14.954 ( 1.199 -8.201 -2.470) 8.649 16.334 ( 3.249 -0.775 -7.647) 8.345 17.617 ( -3.721 6.162 12.448) 14.379 18.271 ( 24.544 6.571 -0.920) 25.425 18.929 ( -1.126 -2.767 -6.190) 6.873 20.575 ( 14.927 -11.308 29.434) 34.886 21.209 ( -20.061 -8.045 -20.353) 29.688 22.722 ( -6.754 7.656 -4.956) 11.348 23.371 ( 1.876 -2.383 -4.856) 5.726 ======================= Grid point 307 (159/260) ======================= q-point: (-0.20 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 5.683 18.628 22.468) 29.734 2.440 ( -14.867 -0.819 24.978) 29.079 3.159 ( 7.341 -3.986 -9.029) 12.300 3.556 ( 0.321 6.706 -3.668) 7.651 3.933 ( 4.417 -2.306 7.249) 8.796 4.224 ( 7.201 7.605 -7.153) 12.683 4.571 ( -3.348 10.652 3.326) 11.651 4.851 ( 4.783 7.455 -2.478) 9.197 5.279 ( -19.048 18.723 7.716) 27.801 6.025 ( -7.384 6.390 6.855) 11.931 6.613 ( 1.810 -4.350 -2.495) 5.331 6.699 ( 7.917 -15.690 -2.438) 17.743 7.011 ( -0.797 -3.448 -0.065) 3.539 7.471 ( -12.133 -7.992 16.202) 21.762 7.857 ( 7.600 1.262 -4.880) 9.120 8.389 ( 8.928 1.799 1.268) 9.196 8.678 ( 1.870 -2.643 0.591) 3.291 9.018 ( -5.664 6.224 -11.019) 13.865 9.513 ( -0.985 4.464 3.934) 6.031 9.831 ( 10.690 7.342 -5.909) 14.252 10.758 ( -9.658 9.312 -3.989) 13.997 11.655 ( -13.075 4.939 -12.658) 18.857 11.808 ( 4.220 -6.563 21.790) 23.145 12.505 ( 10.441 -2.702 -1.742) 10.925 13.186 ( 4.954 2.202 -5.341) 7.610 13.923 ( -0.788 -8.747 10.733) 13.868 14.370 ( 10.377 5.036 -12.251) 16.827 14.949 ( -1.721 -7.665 -1.921) 8.088 16.452 ( 6.850 4.942 -6.463) 10.635 17.702 ( 13.866 -1.970 10.223) 17.340 18.673 ( -10.755 -7.942 -13.491) 18.993 18.775 ( 9.443 -2.161 1.749) 9.844 20.755 ( -8.709 -8.555 -1.955) 12.364 20.910 ( 1.697 -5.145 19.691) 20.423 22.642 ( 0.862 9.572 -5.924) 11.290 23.404 ( 1.147 0.715 -4.248) 4.458 ======================= Grid point 308 (160/260) ======================= q-point: (-0.10 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 0.569 13.915 24.853) 28.489 2.264 ( 3.262 7.432 25.374) 26.640 3.292 ( 5.148 -4.841 -7.813) 10.535 3.474 ( -7.287 14.085 -0.936) 15.886 4.098 ( 9.641 -1.928 14.051) 17.149 4.301 ( -2.358 12.487 -4.571) 13.504 4.481 ( -1.056 5.552 23.706) 24.370 4.945 ( -6.550 18.697 0.601) 19.820 5.053 ( 8.356 9.559 -12.160) 17.580 5.884 ( -7.199 3.654 9.522) 12.484 6.553 ( -5.103 0.139 -1.482) 5.315 6.857 ( 5.683 -7.562 -14.560) 17.363 7.021 ( -0.181 -10.172 14.194) 17.463 7.258 ( -8.420 -6.013 6.595) 12.270 7.975 ( 5.440 -2.671 -3.011) 6.768 8.574 ( 7.196 11.541 -4.399) 14.294 8.658 ( -1.992 -5.912 -6.950) 9.340 8.959 ( -0.703 2.590 -9.960) 10.315 9.478 ( -1.997 1.491 7.474) 7.878 10.049 ( 10.484 4.129 -4.225) 12.034 10.578 ( -7.607 6.347 -4.379) 10.832 11.397 ( -10.560 1.434 -15.151) 18.524 11.893 ( 2.920 -0.261 19.846) 20.062 12.737 ( 11.838 2.469 -2.968) 12.452 13.319 ( 7.739 -3.575 -2.689) 8.939 13.892 ( -2.533 -4.084 10.500) 11.547 14.517 ( 4.931 -1.726 -10.948) 12.131 14.877 ( -5.311 -6.526 -5.551) 10.080 16.578 ( 5.066 -0.723 1.173) 5.250 17.922 ( -20.578 1.897 -14.283) 25.121 18.305 ( 8.349 -18.463 1.603) 20.326 18.993 ( 2.725 -2.798 -4.405) 5.887 20.648 ( 6.210 -4.699 4.578) 9.033 20.920 ( -5.976 -8.787 21.204) 23.718 22.791 ( 13.010 13.097 -3.587) 18.806 23.403 ( -1.376 2.260 -4.983) 5.642 ======================= Grid point 309 (161/260) ======================= q-point: ( 0.00 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 1.540 7.360 19.912) 21.285 2.626 ( 7.663 8.183 15.132) 18.832 3.263 ( -2.164 -0.610 -3.118) 3.844 3.622 ( -4.632 11.157 3.847) 12.678 4.125 ( -1.679 2.557 6.081) 6.807 4.454 ( 0.842 2.415 17.036) 17.227 4.840 ( 12.057 14.401 12.620) 22.628 5.031 ( -10.122 13.210 -9.177) 19.005 5.551 ( 11.726 11.048 -4.985) 16.864 5.707 ( -9.510 -0.696 13.932) 16.882 6.399 ( -9.989 -10.397 4.255) 15.032 6.741 ( -0.772 -3.281 1.148) 3.561 6.951 ( 6.489 -3.224 -9.288) 11.781 7.037 ( -2.041 -5.395 2.512) 6.291 8.099 ( 3.133 3.949 -6.465) 8.198 8.537 ( 8.791 -5.742 -8.363) 13.424 8.868 ( -8.535 2.805 0.551) 9.001 9.024 ( 8.474 9.145 -8.095) 14.865 9.462 ( -3.743 4.597 4.871) 7.672 10.144 ( 1.180 -7.484 -10.564) 13.001 10.576 ( -4.937 5.598 1.956) 7.716 11.219 ( -2.438 -2.006 -8.264) 8.847 12.055 ( 4.264 7.179 16.678) 18.651 13.058 ( 12.185 -1.264 1.582) 12.352 13.298 ( 3.411 -5.516 -3.130) 7.201 13.790 ( 1.365 -5.247 12.507) 13.632 14.528 ( -1.898 1.621 -14.855) 15.063 14.684 ( -2.989 -1.591 -14.852) 15.233 16.238 ( -22.817 -15.373 17.678) 32.702 17.422 ( -12.319 9.641 -11.880) 19.643 18.599 ( 8.477 -1.815 -4.914) 9.965 18.712 ( -8.071 -11.987 -9.124) 17.090 20.637 ( -6.639 -1.169 13.111) 14.742 20.839 ( 19.564 -8.003 8.568) 22.808 23.234 ( 11.913 2.755 -1.255) 12.291 23.414 ( -4.288 4.669 -6.803) 9.299 ======================= Grid point 310 (162/260) ======================= q-point: ( 0.10 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 7.556 6.299 17.567) 20.134 2.792 ( 7.817 7.130 13.096) 16.835 3.191 ( -4.126 -1.446 -4.750) 6.456 3.470 ( -8.737 15.375 5.803) 18.612 4.043 ( -5.157 3.155 0.853) 6.105 4.421 ( -6.106 2.912 5.794) 8.907 4.930 ( 1.570 3.137 -3.697) 5.097 5.179 ( 16.844 7.896 18.040) 25.913 5.549 ( -5.404 -0.076 11.835) 13.010 5.712 ( 3.699 4.047 -0.550) 5.510 6.153 ( -11.930 -8.213 1.394) 14.551 6.662 ( -5.861 6.792 -7.101) 11.441 6.964 ( 1.833 -9.952 -0.689) 10.143 7.221 ( 12.255 1.708 -2.394) 12.603 8.056 ( -5.644 4.012 -1.708) 7.132 8.635 ( -8.808 -3.363 -1.894) 9.616 8.845 ( 12.642 0.712 -6.637) 14.296 9.114 ( 0.969 16.970 -9.146) 19.302 9.425 ( -0.132 -0.750 8.955) 8.987 10.089 ( -4.575 -8.908 -15.172) 18.179 10.559 ( 1.791 0.233 2.851) 3.375 11.218 ( 2.076 -1.302 -2.005) 3.166 12.146 ( 3.825 8.155 13.176) 15.961 13.285 ( 8.280 2.260 -2.686) 8.993 13.330 ( 0.643 -5.901 0.781) 5.987 13.802 ( -1.062 0.435 5.611) 5.727 14.433 ( -5.106 -3.941 -15.178) 16.492 14.711 ( 4.988 2.616 -8.475) 10.176 15.753 ( -20.368 -11.322 16.742) 28.694 17.281 ( -3.875 11.143 -2.042) 11.973 18.328 ( -16.341 -20.697 -6.466) 27.151 18.783 ( 0.218 1.524 -2.462) 2.903 20.510 ( -6.132 6.755 10.002) 13.537 21.340 ( 26.213 -15.598 3.471) 30.699 23.257 ( -8.955 3.976 -8.439) 12.931 23.426 ( 5.003 0.964 -3.076) 5.952 ======================= Grid point 311 (163/260) ======================= q-point: ( 0.20 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 9.488 3.782 15.200) 18.313 2.900 ( -0.409 15.887 16.350) 22.801 3.112 ( -0.989 -2.234 -9.461) 9.771 3.385 ( 1.982 2.625 0.437) 3.319 3.907 ( -8.050 1.304 -1.082) 8.226 4.238 ( -10.201 4.742 -10.531) 15.409 5.001 ( 0.858 -6.859 4.272) 8.126 5.360 ( -0.724 -3.046 3.298) 4.548 5.479 ( -3.004 -4.935 10.657) 12.122 5.837 ( 13.096 11.900 15.292) 23.387 5.969 ( -6.655 -2.704 -3.730) 8.094 6.606 ( 2.930 6.415 -10.485) 12.636 7.011 ( 1.670 -8.983 7.203) 11.635 7.468 ( 10.473 6.292 -3.144) 12.616 7.897 ( -8.767 6.603 1.693) 11.106 8.454 ( -7.234 -3.757 0.532) 8.169 8.969 ( -3.737 4.221 0.052) 5.637 9.167 ( 6.791 12.675 -9.180) 17.060 9.421 ( -1.514 0.485 6.930) 7.110 10.011 ( -1.629 -7.280 -15.862) 17.529 10.612 ( 3.275 -3.017 1.074) 4.580 11.282 ( 3.817 -4.214 4.156) 7.042 12.189 ( -0.735 6.720 8.434) 10.809 13.220 ( -8.111 2.910 -10.903) 13.897 13.483 ( 7.516 0.598 10.585) 12.996 13.745 ( -3.884 5.109 -2.229) 6.794 14.332 ( -4.825 -4.164 -5.142) 8.189 14.800 ( 1.816 5.261 -8.875) 10.476 15.577 ( 4.913 -5.950 6.843) 10.313 17.249 ( 2.222 5.305 6.108) 8.390 17.958 ( -21.019 -21.575 0.323) 30.122 18.776 ( 1.361 2.245 -2.761) 3.810 20.374 ( -7.818 11.257 9.313) 16.571 21.835 ( 21.046 -17.525 1.850) 27.450 23.023 ( -13.164 3.284 -14.140) 19.597 23.476 ( 0.302 -1.274 -2.708) 3.008 ======================= Grid point 312 (164/260) ======================= q-point: ( 0.30 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( -0.396 11.299 18.670) 21.826 2.833 ( -1.658 1.779 4.382) 5.011 3.162 ( 3.943 -0.791 -8.921) 9.785 3.511 ( 7.741 -7.290 -1.722) 10.772 3.739 ( -7.205 -0.420 -3.738) 8.127 4.036 ( -8.153 4.677 -14.101) 16.947 4.835 ( -14.663 -10.204 -3.743) 18.253 5.267 ( -6.685 -6.388 -9.010) 12.911 5.544 ( 8.002 0.537 13.833) 15.990 5.859 ( -3.010 -0.723 -2.464) 3.956 6.153 ( 14.493 9.439 19.704) 26.218 6.785 ( 11.702 5.970 -6.037) 14.458 7.014 ( -0.398 -9.293 12.304) 15.424 7.578 ( 0.598 3.956 -6.181) 7.363 7.744 ( -7.009 8.935 2.060) 11.541 8.397 ( 2.770 4.402 9.171) 10.543 8.793 ( -11.451 -0.000 -4.044) 12.144 9.251 ( -2.791 4.342 3.027) 5.984 9.402 ( 3.251 8.752 -2.143) 9.579 10.010 ( 0.980 -1.606 -10.056) 10.230 10.700 ( 5.465 -6.977 1.261) 8.952 11.372 ( 4.794 -6.710 6.217) 10.328 12.114 ( -6.251 6.268 4.344) 9.861 12.986 ( -13.899 -0.280 -8.796) 16.451 13.597 ( 2.876 4.918 11.705) 13.018 13.668 ( -3.244 6.327 -1.742) 7.320 14.239 ( -3.349 3.260 -5.472) 7.196 14.784 ( -1.973 0.904 -11.011) 11.223 15.878 ( 21.013 0.123 -2.082) 21.116 17.356 ( -8.917 -10.708 10.316) 17.337 17.543 ( -1.259 -4.007 6.333) 7.599 18.844 ( 4.276 1.045 -3.108) 5.389 20.188 ( -10.480 11.431 10.178) 18.550 22.190 ( 12.795 -14.364 5.760) 20.081 22.730 ( -13.665 -0.797 -21.574) 25.550 23.457 ( -1.733 -1.578 -3.349) 4.087 ======================= Grid point 313 (165/260) ======================= q-point: ( 0.40 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( -4.917 9.017 7.886) 12.949 2.798 ( -3.556 -3.818 4.294) 6.757 3.214 ( 0.193 -5.774 -3.784) 6.906 3.538 ( -5.861 -9.417 4.636) 12.022 3.688 ( 1.863 -1.613 -17.778) 17.948 3.963 ( 2.060 1.044 -4.523) 5.079 4.553 ( -9.799 -2.575 -12.711) 16.255 5.096 ( -9.056 -8.168 -15.291) 19.559 5.722 ( 7.584 1.037 11.472) 13.791 5.882 ( 5.522 2.371 1.221) 6.132 6.398 ( 8.046 4.794 16.841) 19.270 6.800 ( -6.421 -3.394 12.390) 14.362 7.225 ( 15.036 -2.027 1.546) 15.251 7.565 ( -6.966 9.647 -3.589) 12.429 7.582 ( -0.088 4.745 0.047) 4.746 8.440 ( -8.045 5.965 3.014) 10.459 8.626 ( 2.225 1.480 4.198) 4.977 9.114 ( -7.502 -1.959 8.506) 11.509 9.519 ( 6.332 14.727 -7.209) 17.577 10.008 ( -1.532 3.990 -3.954) 5.822 10.845 ( 8.651 -11.051 6.238) 15.359 11.486 ( 6.051 -6.363 4.340) 9.795 11.964 ( -7.718 7.233 1.686) 10.710 12.674 ( -15.438 -4.626 -9.645) 18.782 13.599 ( -3.988 8.275 9.557) 13.256 13.616 ( -0.568 2.390 0.310) 2.476 14.207 ( -0.117 9.781 -4.188) 10.641 14.731 ( -2.450 -4.821 -13.354) 14.407 16.375 ( 26.965 3.735 -2.065) 27.301 16.870 ( -24.837 -12.992 6.171) 28.701 17.937 ( 24.959 3.956 8.768) 26.749 18.893 ( -1.047 4.723 -1.516) 5.070 19.981 ( -8.670 5.316 12.954) 16.469 22.218 ( -12.734 -3.309 -4.373) 13.864 22.622 ( 6.845 -11.412 -13.361) 18.858 23.407 ( -3.119 -0.841 -4.924) 5.889 ======================= Grid point 314 (166/260) ======================= q-point: (-0.50 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -8.891 2.750 -3.041) 9.791 2.745 ( -0.511 0.305 9.410) 9.429 3.164 ( -4.723 -12.416 4.378) 13.987 3.391 ( -7.007 -7.441 1.172) 10.287 3.724 ( 2.190 -1.075 -13.364) 13.585 4.031 ( 3.192 0.882 0.059) 3.312 4.497 ( 4.531 -0.234 -20.224) 20.727 4.916 ( -7.365 -5.528 -17.873) 20.106 5.817 ( 1.147 -0.455 6.924) 7.033 6.076 ( 12.238 3.916 4.576) 13.639 6.476 ( 0.369 -3.637 10.064) 10.707 6.678 ( -7.052 0.481 17.881) 19.227 7.275 ( -3.511 3.615 2.799) 5.765 7.534 ( -4.301 7.002 0.385) 8.226 7.732 ( 15.590 4.281 -0.281) 16.170 8.211 ( -9.654 -2.805 -5.472) 11.446 8.649 ( -4.800 8.463 12.016) 15.461 9.064 ( 3.718 -4.044 10.016) 11.424 9.633 ( 4.815 15.509 -9.231) 18.679 9.935 ( -5.410 7.218 -1.863) 9.211 11.057 ( 11.555 -11.546 14.873) 22.092 11.573 ( -0.816 5.197 0.041) 5.261 11.859 ( 0.441 -1.636 -0.434) 1.749 12.380 ( -12.303 -7.275 -12.487) 18.979 13.484 ( -6.836 8.866 4.390) 12.025 13.625 ( 1.474 -1.916 3.485) 4.241 14.197 ( -1.292 12.420 -0.147) 12.488 14.702 ( 0.583 -7.888 -12.257) 14.588 16.427 ( -15.770 -10.061 1.570) 18.772 17.000 ( 32.060 6.014 -0.736) 32.628 18.398 ( 14.230 5.684 4.033) 15.845 18.781 ( -6.226 12.757 0.558) 14.206 19.899 ( 0.967 -7.057 19.127) 20.410 21.865 ( -18.773 -5.044 -16.180) 25.292 22.815 ( 9.702 -6.141 -2.936) 11.852 23.321 ( -4.923 -1.089 -7.111) 8.717 ======================= Grid point 315 (167/260) ======================= q-point: (-0.40 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -7.167 7.250 2.255) 10.441 2.769 ( 1.046 -4.112 7.520) 8.634 3.014 ( -8.624 -7.022 10.755) 15.472 3.344 ( 3.477 -4.523 -0.974) 5.787 3.770 ( 2.624 -0.729 -6.532) 7.077 4.101 ( 3.796 3.135 -2.792) 5.659 4.647 ( 8.611 -1.566 -20.670) 22.447 4.806 ( -2.312 -0.191 -15.729) 15.899 5.811 ( -0.726 -3.845 2.367) 4.573 6.294 ( 5.917 0.694 7.572) 9.635 6.433 ( -8.901 2.998 16.741) 19.196 6.541 ( -0.467 -3.298 4.135) 5.310 7.245 ( -4.001 7.632 2.293) 8.917 7.431 ( -0.166 1.290 5.869) 6.011 7.891 ( -4.067 0.612 -3.427) 5.353 8.163 ( 5.565 -0.500 7.482) 9.338 8.533 ( -3.166 3.072 2.174) 4.919 9.180 ( 5.119 -0.983 10.443) 11.671 9.711 ( 2.803 12.018 -11.924) 17.160 9.804 ( -6.068 9.110 -0.136) 10.947 11.313 ( 12.376 -8.265 20.300) 25.171 11.430 ( -10.293 13.498 -5.000) 17.696 11.979 ( 6.603 -8.643 -0.990) 10.922 12.175 ( -6.082 -5.205 -13.123) 15.372 13.342 ( -6.599 8.380 0.196) 10.668 13.669 ( 2.192 -7.800 7.321) 10.919 14.179 ( 1.021 10.996 -2.016) 11.226 14.741 ( 2.633 -8.816 -6.549) 11.294 16.244 ( -1.131 -4.854 -5.929) 7.746 17.664 ( 29.986 8.962 -2.120) 31.368 18.268 ( -16.862 10.834 6.314) 21.013 18.876 ( 6.708 3.954 -3.792) 8.661 20.034 ( 11.453 -12.926 27.550) 32.516 21.473 ( -18.640 -5.805 -17.568) 26.264 22.948 ( 0.806 3.974 -3.758) 5.529 23.240 ( -0.332 -5.297 -6.858) 8.672 ======================= Grid point 316 (168/260) ======================= q-point: (-0.30 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -0.594 12.983 11.382) 17.276 2.670 ( -10.080 -3.966 19.747) 22.523 2.978 ( 4.748 0.534 -2.781) 5.528 3.503 ( 10.826 -2.131 2.041) 11.221 3.814 ( 0.968 -0.283 0.824) 1.302 4.190 ( 5.632 3.783 -4.896) 8.367 4.758 ( 2.912 4.302 -18.804) 19.508 4.853 ( 6.437 3.360 -9.864) 12.249 5.790 ( -3.362 -0.129 3.834) 5.101 6.201 ( -8.280 -4.524 12.827) 15.923 6.358 ( -0.205 -4.207 3.374) 5.397 6.558 ( -0.575 6.038 2.934) 6.737 7.089 ( -7.870 1.863 0.442) 8.100 7.532 ( 0.415 -4.578 16.879) 17.494 7.771 ( -0.043 4.103 -5.963) 7.238 8.232 ( 1.665 -1.320 11.264) 11.462 8.579 ( 5.313 -0.839 -6.781) 8.656 9.233 ( -0.847 3.253 6.637) 7.440 9.658 ( -4.086 6.494 -7.836) 10.967 9.813 ( 4.320 8.055 -3.337) 9.730 11.203 ( -11.056 12.974 -8.736) 19.154 11.554 ( 9.215 -5.081 20.830) 23.337 11.903 ( -9.359 -6.557 -9.184) 14.660 12.268 ( 10.939 0.953 -1.578) 11.093 13.233 ( -3.653 4.532 -2.859) 6.485 13.704 ( 1.015 -10.444 9.608) 14.227 14.272 ( 7.723 5.939 -6.291) 11.597 14.778 ( 0.843 -10.357 -2.929) 10.796 16.382 ( 13.759 5.374 -12.017) 19.042 17.752 ( -16.174 7.799 6.831) 19.211 18.388 ( 24.813 5.278 0.581) 25.375 18.839 ( -10.659 -6.776 -9.795) 15.984 20.353 ( 16.824 -10.432 31.179) 36.932 21.105 ( -16.352 -3.291 -11.886) 20.481 22.846 ( -7.106 5.182 -9.255) 12.767 23.322 ( 5.957 -2.577 -3.223) 7.247 ======================= Grid point 317 (169/260) ======================= q-point: (-0.20 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 4.926 13.140 17.680) 22.572 2.477 ( -8.172 5.526 20.589) 22.830 3.110 ( 7.201 0.019 -1.409) 7.338 3.740 ( 9.040 9.126 -5.110) 13.824 3.795 ( 0.057 -8.743 9.900) 13.208 4.336 ( 7.342 4.160 3.266) 9.049 4.795 ( 0.315 10.175 -11.827) 15.605 5.004 ( 9.388 8.690 -8.367) 15.286 5.601 ( -13.933 13.257 8.979) 21.225 6.082 ( -6.724 -1.956 8.918) 11.339 6.402 ( 6.092 -10.656 -4.641) 13.122 6.566 ( 2.461 -1.518 3.275) 4.369 6.942 ( -6.733 -4.879 1.626) 8.472 7.385 ( -9.606 0.097 15.235) 18.011 7.856 ( 2.774 -1.725 -4.149) 5.280 8.385 ( 13.789 -1.557 4.597) 14.618 8.636 ( -0.412 -1.807 -7.654) 7.875 9.162 ( -5.099 7.666 1.727) 9.367 9.602 ( -2.020 5.048 -3.292) 6.357 9.920 ( 6.202 1.854 -5.204) 8.306 10.977 ( -10.774 12.810 -7.350) 18.281 11.553 ( -10.388 -9.109 -5.275) 14.789 11.840 ( 5.027 3.248 15.241) 16.373 12.518 ( 13.103 3.864 -0.368) 13.665 13.193 ( -0.153 -1.282 -3.164) 3.418 13.727 ( 1.047 -10.028 11.347) 15.179 14.438 ( 7.172 1.764 -10.518) 12.852 14.783 ( 0.099 -9.222 -6.129) 11.073 16.647 ( 5.866 15.205 -7.948) 18.132 17.605 ( 8.577 -8.663 8.917) 15.104 18.456 ( -25.048 -10.725 -14.674) 30.947 18.813 ( 14.399 2.889 -4.270) 15.294 20.618 ( 4.348 -5.919 19.215) 20.571 20.836 ( -7.420 -2.408 6.448) 10.121 22.773 ( 2.345 4.306 -8.379) 9.708 23.425 ( 3.745 1.353 -3.131) 5.066 ======================= Grid point 318 (170/260) ======================= q-point: (-0.10 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( -3.857 5.258 21.269) 22.246 2.471 ( 6.737 14.018 17.075) 23.097 3.241 ( 4.590 0.617 -0.111) 4.632 3.695 ( -3.863 6.175 -0.494) 7.301 4.013 ( 11.148 -3.226 8.067) 14.134 4.437 ( 1.866 3.537 12.350) 12.981 4.754 ( -2.377 16.637 0.978) 16.834 5.240 ( 6.793 9.889 -9.969) 15.599 5.319 ( -6.394 20.090 2.736) 21.260 5.907 ( -9.831 -0.275 11.555) 15.174 6.498 ( 0.427 -7.165 3.062) 7.804 6.693 ( 8.608 -8.906 -11.756) 17.077 6.831 ( -2.507 -10.152 9.969) 14.448 7.197 ( -9.327 0.763 6.583) 11.442 7.944 ( 7.884 -0.191 -7.236) 10.702 8.526 ( -3.878 -7.081 -5.073) 9.535 8.750 ( 14.967 5.120 -4.076) 16.336 9.045 ( -6.510 6.145 0.646) 8.975 9.545 ( -3.666 6.225 -0.555) 7.245 10.054 ( 6.478 -3.386 -6.774) 9.965 10.752 ( -10.762 10.807 -2.780) 15.502 11.334 ( -8.612 -6.234 -10.517) 14.955 11.958 ( 4.938 5.351 18.571) 19.948 12.794 ( 13.426 2.825 -0.266) 13.723 13.224 ( 3.039 -5.670 -2.100) 6.767 13.756 ( 1.397 -8.498 13.161) 15.728 14.525 ( 1.915 1.005 -10.705) 10.921 14.765 ( -2.350 -4.307 -15.361) 16.125 16.567 ( -10.287 -0.384 10.166) 14.468 17.855 ( -25.193 -8.489 -17.865) 32.030 18.108 ( 27.664 -1.828 -2.113) 27.804 18.924 ( -3.909 -4.140 -7.169) 9.155 20.610 ( 2.094 -0.101 8.092) 8.359 20.762 ( -4.751 -7.064 18.340) 20.220 22.952 ( 13.599 4.499 -3.601) 14.770 23.463 ( -0.154 3.493 -4.278) 5.525 ======================= Grid point 319 (171/260) ======================= q-point: ( 0.00 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 1.593 1.431 18.163) 18.289 2.752 ( 4.898 3.867 5.297) 8.186 3.287 ( -5.092 1.893 4.299) 6.928 3.703 ( 2.802 -0.238 8.807) 9.245 4.218 ( 2.720 5.093 -0.891) 5.842 4.485 ( -0.057 0.355 24.005) 24.008 4.965 ( -1.386 1.324 -15.595) 15.712 5.399 ( -4.725 20.721 11.422) 24.128 5.631 ( -1.131 -2.406 9.612) 9.972 5.759 ( -7.040 2.044 5.529) 9.182 6.171 ( -7.014 -9.476 2.381) 12.027 6.622 ( 5.096 -5.780 3.624) 8.515 6.879 ( 16.285 -2.911 -4.064) 17.035 7.025 ( -10.796 1.263 -6.864) 12.856 8.199 ( -2.027 5.199 -8.196) 9.915 8.428 ( 18.690 -4.962 -10.951) 22.222 8.892 ( -13.779 0.422 6.443) 15.217 9.118 ( 13.733 1.281 2.015) 13.939 9.669 ( -4.700 14.953 -7.780) 17.499 9.948 ( -1.481 -12.899 -11.725) 17.494 10.654 ( -9.635 2.233 4.132) 10.719 11.188 ( -0.135 -0.912 -3.326) 3.451 12.182 ( 5.415 4.783 16.281) 17.812 12.928 ( 8.036 -6.827 9.823) 14.412 13.300 ( 7.297 1.905 -9.604) 12.211 13.685 ( 2.887 -3.889 13.199) 14.060 14.592 ( 2.346 2.878 -10.238) 10.891 14.672 ( -4.921 0.039 -28.026) 28.454 16.014 ( -25.011 -6.771 23.151) 34.748 17.591 ( -4.984 6.273 -11.552) 14.058 18.459 ( -24.676 -7.844 -9.880) 27.714 18.615 ( 18.794 -0.640 -8.241) 20.531 20.638 ( -0.488 0.715 11.557) 11.589 20.737 ( 12.465 -2.968 9.503) 15.953 23.257 ( 10.640 0.359 0.226) 10.648 23.478 ( -4.215 1.729 -6.647) 8.058 ======================= Grid point 320 (172/260) ======================= q-point: ( 0.10 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 6.311 1.078 16.744) 17.926 2.882 ( 7.445 2.454 2.472) 8.220 3.191 ( -3.344 0.516 0.430) 3.411 3.684 ( -5.502 5.465 9.702) 12.420 4.141 ( -9.306 5.530 2.377) 11.083 4.461 ( -4.098 1.163 14.886) 15.484 4.906 ( -2.621 -3.678 -14.407) 15.098 5.349 ( -0.481 9.321 10.922) 14.367 5.526 ( -9.189 -3.250 10.032) 13.987 5.756 ( 7.846 -0.670 15.256) 17.169 6.068 ( -3.853 0.044 -5.669) 6.854 6.724 ( 3.075 -1.618 2.485) 4.271 6.813 ( -6.858 -2.532 -8.227) 11.006 7.241 ( 17.595 0.340 -2.884) 17.833 8.127 ( -3.280 2.635 -6.350) 7.617 8.579 ( -13.880 -1.989 4.095) 14.607 8.859 ( 16.907 0.484 -6.884) 18.261 9.342 ( 7.900 2.493 3.727) 9.084 9.537 ( -6.856 15.823 -8.878) 19.396 9.858 ( -5.501 -15.016 -14.885) 21.847 10.566 ( -0.315 0.358 4.644) 4.668 11.188 ( 0.117 -1.245 3.099) 3.342 12.273 ( 2.626 4.039 12.477) 13.375 13.189 ( 16.265 -3.364 14.988) 22.372 13.379 ( -0.161 2.465 -13.219) 13.447 13.744 ( 2.145 -3.976 11.644) 12.490 14.452 ( -9.212 3.109 -31.166) 32.647 14.741 ( 8.150 0.434 -8.293) 11.636 15.589 ( -15.777 -4.949 21.651) 27.243 17.516 ( -4.625 12.387 -3.088) 13.578 17.949 ( -21.574 -16.770 -7.564) 28.353 18.806 ( 1.885 0.641 -3.939) 4.414 20.620 ( -2.167 3.769 9.247) 10.218 21.125 ( 22.881 -6.329 4.041) 24.082 23.325 ( -9.027 2.667 -9.140) 13.120 23.415 ( 3.391 -1.357 -0.273) 3.662 ======================= Grid point 321 (173/260) ======================= q-point: ( 0.20 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 7.295 0.043 11.706) 13.793 3.040 ( 7.305 0.946 -1.758) 7.573 3.165 ( 0.274 3.601 2.527) 4.408 3.501 ( -10.963 7.603 10.265) 16.834 3.904 ( -12.578 -1.552 3.755) 13.218 4.311 ( -9.649 2.204 -3.695) 10.564 4.859 ( -3.452 -5.437 -9.829) 11.751 5.316 ( -6.260 -1.074 -0.372) 6.362 5.417 ( 2.230 -1.882 10.750) 11.139 5.866 ( -1.402 -2.098 3.744) 4.515 6.103 ( 9.628 8.281 13.673) 18.661 6.688 ( 1.815 2.194 -12.268) 12.594 6.848 ( 3.147 -6.241 9.532) 11.820 7.547 ( 10.225 1.916 -2.712) 10.751 8.036 ( -5.653 6.322 -2.894) 8.961 8.355 ( -5.477 -5.057 5.874) 9.491 9.026 ( -3.141 1.544 0.804) 3.591 9.416 ( -3.184 1.968 7.344) 8.242 9.479 ( 5.354 15.595 -13.480) 21.297 9.794 ( 1.242 -14.880 -16.551) 22.291 10.589 ( 1.653 -0.075 2.000) 2.596 11.204 ( 1.589 -2.857 7.267) 7.968 12.286 ( -1.658 2.873 8.555) 9.176 13.263 ( -10.484 1.329 -12.171) 16.119 13.523 ( 13.286 3.094 18.187) 22.735 13.761 ( -0.906 -2.647 6.690) 7.251 14.311 ( -3.100 1.034 -22.429) 22.666 14.881 ( 1.812 2.483 -9.745) 10.219 15.482 ( 8.334 -3.108 6.476) 11.002 17.379 ( -5.403 8.749 4.166) 11.095 17.604 ( -14.547 -15.149 1.722) 21.073 18.807 ( 0.552 0.833 -3.437) 3.580 20.536 ( -6.589 4.846 9.014) 12.172 21.590 ( 21.135 -7.160 2.051) 22.409 23.070 ( -14.875 1.426 -14.855) 21.071 23.449 ( 0.103 -1.002 0.167) 1.020 ======================= Grid point 322 (174/260) ======================= q-point: ( 0.30 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 2.881 -1.352 5.225) 6.118 3.098 ( -9.108 14.590 10.554) 20.179 3.151 ( 2.306 1.441 -2.638) 3.788 3.362 ( -1.474 -9.408 6.477) 11.517 3.681 ( -7.366 -4.010 -0.502) 8.402 4.109 ( -8.737 2.161 -11.263) 14.417 4.728 ( -7.899 -1.094 -15.717) 17.624 5.138 ( -9.871 -5.482 -12.537) 16.872 5.563 ( 9.475 0.824 15.277) 17.996 5.824 ( -0.317 -1.383 -2.445) 2.827 6.339 ( 11.359 7.317 22.537) 26.277 6.833 ( -4.005 -4.131 11.559) 12.912 6.879 ( 13.696 -0.161 -5.468) 14.748 7.626 ( 0.318 1.255 -5.387) 5.541 7.898 ( -8.443 5.382 -1.369) 10.106 8.420 ( 10.482 -0.826 11.584) 15.645 8.808 ( -15.072 0.923 -3.242) 15.445 9.296 ( -8.518 0.940 9.086) 12.490 9.631 ( 8.484 13.855 -8.652) 18.406 9.883 ( 6.217 -11.128 -12.438) 17.809 10.623 ( 1.796 -1.404 1.214) 2.583 11.266 ( 4.404 -3.369 8.305) 9.986 12.218 ( -4.774 3.474 5.666) 8.183 12.961 ( -17.792 -1.338 -9.625) 20.273 13.684 ( 0.692 3.813 8.210) 9.078 13.738 ( -0.028 0.399 12.731) 12.737 14.302 ( 2.151 2.499 -13.798) 14.187 14.798 ( -6.927 0.405 -14.020) 15.643 15.872 ( 25.183 -0.419 -7.885) 26.392 17.167 ( -21.327 -5.962 10.205) 24.383 17.536 ( 14.433 0.533 10.247) 17.708 18.859 ( 4.250 0.397 -3.971) 5.830 20.348 ( -11.928 4.683 9.721) 16.084 21.979 ( 16.641 -6.311 5.381) 18.593 22.720 ( -18.143 -0.317 -20.817) 27.616 23.437 ( -1.069 -0.503 -1.610) 1.997 ======================= Grid point 323 (175/260) ======================= q-point: ( 0.40 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( -3.917 -0.933 0.462) 4.053 2.869 ( -11.069 8.777 16.846) 21.985 3.131 ( -3.990 -0.986 -6.412) 7.617 3.304 ( -4.877 -12.210 11.587) 17.525 3.663 ( 4.325 -0.968 -9.942) 10.885 3.986 ( -2.430 0.605 -9.721) 10.038 4.581 ( -4.838 3.880 -20.352) 21.276 4.935 ( -8.704 -7.069 -19.344) 22.358 5.752 ( 7.210 1.351 12.794) 14.748 5.896 ( 7.698 -0.208 -1.038) 7.771 6.527 ( 1.822 8.168 19.278) 21.016 6.686 ( -4.088 -7.877 18.283) 20.323 7.208 ( 13.817 -0.146 -2.737) 14.086 7.646 ( 1.574 1.898 -2.813) 3.741 7.719 ( -5.852 4.906 -1.667) 7.816 8.471 ( -16.676 -0.596 -7.412) 18.259 8.687 ( 13.153 2.802 14.588) 19.841 9.087 ( -11.591 -0.759 10.500) 15.658 9.794 ( 6.977 13.246 -7.560) 16.772 9.990 ( 3.588 -6.200 -6.707) 9.813 10.687 ( 5.374 -4.414 5.017) 8.575 11.396 ( 8.242 -2.613 6.633) 10.897 12.105 ( -6.260 5.708 3.392) 9.126 12.566 ( -19.463 -4.806 -9.764) 22.299 13.641 ( -2.983 0.562 0.803) 3.140 13.715 ( -3.765 3.288 14.268) 15.119 14.366 ( 3.700 5.267 -8.456) 10.627 14.651 ( -6.195 -2.839 -16.279) 17.648 16.429 ( 29.020 1.795 -6.537) 29.802 16.691 ( -22.786 -5.238 8.129) 24.753 17.998 ( 26.493 1.916 11.107) 28.791 18.948 ( 3.623 1.282 -2.593) 4.636 20.063 ( -15.529 2.592 12.148) 19.885 22.166 ( -9.048 -1.684 1.273) 9.291 22.455 ( 4.121 -4.963 -17.434) 18.589 23.402 ( -2.482 0.057 -4.576) 5.206 ======================= Grid point 324 (176/260) ======================= q-point: (-0.50 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( -7.952 4.837 2.874) 9.741 2.711 ( -5.336 -4.930 16.551) 18.075 3.036 ( -3.675 0.462 -4.680) 5.968 3.217 ( -3.259 -8.550 8.601) 12.558 3.766 ( 5.217 3.860 -10.097) 12.003 3.993 ( 2.648 -3.968 -3.447) 5.885 4.544 ( 2.020 4.256 -23.994) 24.452 4.791 ( -4.345 -6.152 -23.706) 24.874 5.822 ( -0.898 0.529 7.125) 7.201 6.134 ( 14.631 1.811 0.914) 14.771 6.421 ( -5.543 -1.809 13.979) 15.147 6.689 ( -4.114 0.377 21.393) 21.789 7.298 ( -1.238 -0.071 5.901) 6.029 7.639 ( -3.765 3.114 1.332) 5.064 7.833 ( 14.264 4.409 -4.808) 15.684 8.158 ( -12.209 -2.256 -9.141) 15.418 8.787 ( -10.631 5.033 11.219) 16.254 8.987 ( 8.499 -3.335 14.002) 16.716 9.890 ( 2.263 10.389 -7.478) 12.999 10.000 ( -2.339 -0.926 -4.847) 5.461 10.880 ( 13.147 -5.547 12.396) 18.901 11.610 ( 12.254 -0.500 3.612) 12.785 11.952 ( -9.480 9.700 -0.680) 13.580 12.199 ( -14.582 -10.665 -11.240) 21.277 13.583 ( -2.685 -0.573 2.302) 3.583 13.607 ( -6.243 2.613 7.848) 10.363 14.409 ( -0.387 8.880 -4.081) 9.781 14.564 ( -1.112 -6.603 -11.730) 13.506 16.293 ( -13.596 -3.637 1.108) 14.117 17.083 ( 33.798 2.309 -3.144) 34.022 18.480 ( 15.681 2.400 4.291) 16.433 18.972 ( -1.492 5.976 -0.796) 6.211 19.784 ( -9.068 -3.898 20.104) 22.396 21.795 ( -20.077 -2.004 -15.207) 25.265 22.715 ( 15.102 -3.222 -1.073) 15.479 23.318 ( -5.856 0.178 -8.027) 9.938 ======================= Grid point 325 (177/260) ======================= q-point: (-0.40 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( -3.614 6.534 5.578) 9.320 2.642 ( -1.996 -7.691 15.574) 17.484 3.009 ( 1.084 4.936 0.907) 5.135 3.201 ( 2.168 -8.868 8.232) 12.293 3.865 ( 4.737 9.025 -6.119) 11.889 4.074 ( 4.947 -6.365 -0.484) 8.076 4.639 ( 7.426 1.452 -24.572) 25.711 4.756 ( 2.148 -3.637 -25.199) 25.551 5.765 ( -3.142 -0.968 2.229) 3.972 6.313 ( -1.709 1.610 11.159) 11.403 6.465 ( -7.636 -3.037 7.428) 11.078 6.495 ( 5.980 1.448 12.413) 13.854 7.336 ( 3.774 1.766 11.728) 12.446 7.457 ( -12.355 1.560 2.604) 12.723 7.944 ( -5.290 2.808 -7.217) 9.379 8.149 ( 9.453 -0.708 4.102) 10.329 8.563 ( -7.967 0.413 1.379) 8.096 9.170 ( 7.344 -0.163 14.034) 15.840 9.863 ( -4.778 3.693 -13.767) 15.033 9.943 ( -1.753 4.518 2.184) 5.316 11.195 ( 15.764 -3.468 16.680) 23.211 11.693 ( -13.073 11.612 -11.683) 21.029 11.868 ( 5.799 -1.051 3.148) 6.681 12.016 ( 1.053 -10.921 -7.833) 13.481 13.457 ( -7.637 3.332 2.504) 8.701 13.556 ( -0.748 -3.322 6.303) 7.164 14.374 ( -1.378 9.722 -3.954) 10.585 14.566 ( 0.268 -9.571 -4.202) 10.456 16.192 ( 4.801 -1.014 -8.613) 9.913 17.788 ( 33.470 3.469 -4.747) 33.982 18.445 ( -17.578 6.169 2.014) 18.738 18.920 ( -5.020 0.673 -2.610) 5.698 19.834 ( 13.240 -6.393 30.676) 34.017 21.399 ( -17.682 -1.903 -14.697) 23.071 23.005 ( 11.171 1.812 -0.981) 11.359 23.161 ( -7.411 -2.546 -10.167) 12.836 ======================= Grid point 326 (178/260) ======================= q-point: (-0.30 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( -0.633 4.689 10.488) 11.506 2.624 ( -0.419 -0.989 11.155) 11.207 3.073 ( 5.018 9.858 7.342) 13.277 3.320 ( 8.401 -13.992 11.221) 19.805 3.947 ( 2.699 9.911 -6.905) 12.377 4.196 ( 7.441 -3.550 3.834) 9.092 4.795 ( 7.458 0.593 -21.652) 22.908 4.887 ( 11.259 0.283 -22.309) 24.991 5.739 ( 0.899 -2.426 2.415) 3.539 6.142 ( -14.338 -1.168 14.724) 20.585 6.303 ( -0.086 -1.844 5.560) 5.859 6.674 ( 2.464 3.925 3.277) 5.676 7.118 ( -16.161 1.025 1.749) 16.288 7.485 ( 4.124 -0.848 19.340) 19.793 7.839 ( -3.810 2.224 -5.021) 6.684 8.208 ( -0.059 -0.909 11.009) 11.046 8.559 ( 4.920 -0.840 -11.501) 12.537 9.278 ( 2.439 1.305 12.793) 13.089 9.749 ( -4.536 2.576 -15.531) 16.384 9.919 ( -0.819 2.872 2.930) 4.184 11.418 ( -9.092 7.748 -12.497) 17.288 11.484 ( 5.514 -2.057 10.207) 11.782 11.786 ( -4.730 -4.285 1.666) 6.596 12.278 ( 16.347 -0.289 -1.362) 16.406 13.298 ( -7.701 1.993 0.827) 7.997 13.558 ( 0.645 -4.178 8.529) 9.519 14.386 ( 2.881 7.038 -5.457) 9.360 14.570 ( 0.846 -10.580 -3.504) 11.177 16.484 ( 23.074 3.647 -14.295) 27.387 17.889 ( -28.150 5.071 0.908) 28.617 18.462 ( 25.332 2.257 -0.552) 25.438 18.702 ( -15.559 -5.673 -7.678) 18.254 20.214 ( 19.423 -3.724 32.991) 38.465 21.068 ( -14.232 -0.825 -8.398) 16.546 22.916 ( -9.201 1.970 -12.405) 15.570 23.282 ( 10.066 -1.258 -1.241) 10.220 ======================= Grid point 327 (179/260) ======================= q-point: (-0.20 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( -1.495 1.319 14.534) 14.670 2.634 ( 1.218 5.870 7.959) 9.964 3.211 ( 7.524 11.297 12.357) 18.356 3.503 ( 7.778 -16.390 14.665) 23.328 3.975 ( 1.802 8.520 -13.941) 16.437 4.367 ( 7.383 -0.544 13.508) 15.404 4.920 ( 4.877 3.049 -17.488) 18.410 5.157 ( 14.327 5.562 -15.925) 22.132 5.761 ( -2.021 4.468 8.983) 10.234 5.938 ( -3.432 -8.468 12.132) 15.188 6.348 ( 3.666 0.634 -8.547) 9.322 6.591 ( -8.277 4.600 9.239) 13.230 6.819 ( -12.603 -7.012 5.302) 15.366 7.437 ( -7.813 3.110 14.656) 16.897 7.810 ( 1.534 -2.157 -5.373) 5.990 8.355 ( 12.525 -1.071 7.596) 14.688 8.611 ( 0.476 -0.742 -13.013) 13.042 9.269 ( -3.688 2.900 10.722) 11.703 9.699 ( 0.165 4.108 -13.836) 14.434 9.915 ( 0.448 -1.507 0.253) 1.593 11.207 ( -9.971 10.334 -11.289) 18.266 11.392 ( -11.636 -7.847 -6.607) 15.512 11.868 ( 8.836 0.307 19.239) 21.173 12.601 ( 14.286 3.093 -0.963) 14.648 13.159 ( -5.069 -1.480 0.102) 5.282 13.584 ( 1.546 -4.143 10.455) 11.351 14.465 ( 3.890 1.556 -6.809) 7.995 14.626 ( 5.039 -6.031 -10.840) 13.390 16.990 ( 9.882 19.096 -9.324) 23.436 17.365 ( -6.440 -15.886 3.705) 17.538 18.314 ( -20.010 -3.811 -10.566) 22.947 18.855 ( 10.826 1.236 -7.520) 13.239 20.536 ( 9.178 -2.362 27.468) 29.057 20.812 ( -10.331 -0.397 1.427) 10.437 22.821 ( 2.155 1.065 -9.352) 9.656 23.447 ( 5.793 0.660 -2.414) 6.310 ======================= Grid point 328 (180/260) ======================= q-point: (-0.10 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -1.779 1.191 16.854) 16.990 2.675 ( 2.618 5.706 6.650) 9.145 3.333 ( 2.068 8.043 12.101) 14.677 3.618 ( 4.006 -9.748 10.439) 14.834 4.078 ( 8.367 5.546 -8.657) 13.256 4.465 ( 1.847 -0.196 20.591) 20.674 4.974 ( 0.966 5.698 -13.887) 15.041 5.399 ( 7.161 5.247 -2.057) 9.112 5.681 ( -3.450 16.373 5.840) 17.723 5.886 ( -5.850 -3.632 7.747) 10.365 6.355 ( -6.988 -3.952 9.548) 12.475 6.521 ( 3.936 -8.888 -11.356) 14.948 6.658 ( 1.011 -5.510 10.476) 11.879 7.246 ( -10.345 2.303 2.185) 10.821 7.965 ( 14.361 1.553 -9.052) 17.046 8.410 ( -6.538 -4.042 -3.909) 8.624 8.794 ( 16.634 0.638 -2.618) 16.851 9.135 ( -9.542 2.356 8.449) 12.961 9.715 ( 0.365 10.217 -9.430) 13.908 9.936 ( 1.595 -8.192 -5.572) 10.035 10.937 ( -15.864 6.927 -1.464) 17.372 11.218 ( -3.720 -4.712 -9.584) 11.309 12.046 ( 7.442 2.933 19.099) 20.707 12.813 ( 5.748 -0.619 3.434) 6.724 13.148 ( 5.149 -1.622 -3.931) 6.678 13.627 ( 2.284 -3.933 12.319) 13.132 14.529 ( 2.962 -0.300 -6.058) 6.750 14.720 ( 2.558 -0.845 -23.461) 23.616 16.564 ( -28.442 -0.025 17.736) 33.519 17.729 ( 1.719 -3.457 -23.265) 23.583 18.110 ( 17.417 0.510 -3.602) 17.793 18.856 ( -10.736 -2.256 -9.490) 14.505 20.618 ( 0.933 0.517 14.242) 14.282 20.668 ( -3.609 -2.651 12.245) 13.038 22.996 ( 13.058 0.843 -2.926) 13.409 23.514 ( 0.854 1.526 -4.070) 4.430 ======================= Grid point 369 (181/260) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( -6.630 0.000 19.948) 21.021 2.608 ( 10.130 0.000 17.139) 19.909 2.847 ( -4.831 0.000 0.722) 4.884 3.310 ( 2.935 0.000 -14.048) 14.352 4.004 ( 0.760 0.000 -7.556) 7.594 4.095 ( -8.741 0.000 -9.866) 13.181 4.937 ( 18.898 0.000 17.310) 25.627 4.999 ( 5.621 0.000 11.435) 12.742 5.084 ( 7.374 0.000 22.222) 23.413 5.733 ( -2.892 0.000 -0.918) 3.035 6.310 ( -12.242 0.000 1.266) 12.308 6.625 ( 3.939 0.000 -19.244) 19.643 7.264 ( -1.333 0.000 0.772) 1.540 7.301 ( -15.999 0.000 10.285) 19.020 8.237 ( -3.826 0.000 4.126) 5.627 8.407 ( 5.138 0.000 -4.071) 6.556 8.491 ( 6.419 0.000 -14.391) 15.758 8.616 ( 0.429 0.000 -8.530) 8.541 9.779 ( 0.053 0.000 11.009) 11.009 10.145 ( 4.427 0.000 -6.795) 8.110 10.334 ( 6.582 0.000 3.757) 7.579 10.764 ( -5.647 0.000 -15.520) 16.516 12.173 ( -8.829 0.000 11.383) 14.406 12.598 ( 7.376 0.000 -9.815) 12.278 13.611 ( 10.630 0.000 1.059) 10.683 13.748 ( -6.576 0.000 -3.239) 7.331 14.887 ( 6.465 0.000 0.003) 6.465 14.895 ( -8.497 0.000 1.113) 8.569 16.785 ( 12.655 0.000 2.976) 13.000 17.050 ( -31.061 0.000 -9.738) 32.551 18.735 ( -7.891 0.000 5.890) 9.847 18.963 ( 4.900 0.000 -5.196) 7.142 21.152 ( -27.074 0.000 15.097) 30.998 21.648 ( 40.431 0.000 -10.873) 41.868 22.601 ( 11.275 0.000 12.148) 16.574 23.089 ( -7.926 0.000 -11.797) 14.213 ======================= Grid point 370 (182/260) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 4.649 0.000 19.430) 19.978 2.611 ( -4.948 0.000 21.884) 22.436 2.996 ( 14.316 0.000 -7.298) 16.069 3.328 ( -0.676 0.000 -15.957) 15.972 3.868 ( -11.466 0.000 -6.686) 13.273 3.900 ( -9.417 0.000 -7.319) 11.926 5.215 ( 14.550 0.000 7.162) 16.217 5.237 ( 7.296 0.000 9.819) 12.233 5.397 ( 22.096 0.000 14.479) 26.417 5.653 ( -5.094 0.000 -5.700) 7.645 6.119 ( -5.753 0.000 0.549) 5.779 6.681 ( -1.909 0.000 -6.156) 6.445 7.000 ( -9.588 0.000 8.932) 13.104 7.254 ( 0.743 0.000 8.021) 8.056 8.063 ( -11.667 0.000 2.348) 11.901 8.412 ( -0.385 0.000 -12.495) 12.501 8.677 ( 3.645 0.000 -7.414) 8.261 8.710 ( 10.743 0.000 -5.493) 12.066 9.686 ( -9.209 0.000 9.420) 13.174 10.056 ( -7.201 0.000 -10.319) 12.583 10.672 ( 20.309 0.000 6.593) 21.352 10.755 ( 4.940 0.000 -16.883) 17.591 12.011 ( -6.944 0.000 7.628) 10.315 12.745 ( 6.796 0.000 -5.852) 8.968 13.595 ( -8.019 0.000 -7.825) 11.204 13.743 ( 0.820 0.000 0.578) 1.003 14.718 ( -7.499 0.000 0.510) 7.516 14.910 ( -4.388 0.000 3.406) 5.555 16.408 ( -27.677 0.000 4.870) 28.103 17.025 ( 10.613 0.000 8.434) 13.557 18.661 ( 0.476 0.000 5.512) 5.532 19.070 ( 3.907 0.000 -2.719) 4.760 20.533 ( -31.957 0.000 10.949) 33.780 22.377 ( 28.672 0.000 -20.223) 35.086 22.827 ( 9.905 0.000 10.002) 14.077 22.891 ( -10.135 0.000 -12.495) 16.089 ======================= Grid point 371 (183/260) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 11.760 0.000 12.724) 17.326 2.546 ( -1.460 0.000 16.391) 16.456 3.271 ( 8.514 0.000 -14.307) 16.649 3.288 ( -2.252 0.000 -13.733) 13.917 3.676 ( -3.570 0.000 0.450) 3.598 3.684 ( -9.620 0.000 -11.890) 15.294 5.358 ( 3.428 0.000 0.975) 3.564 5.482 ( -1.466 0.000 1.703) 2.247 5.605 ( 12.823 0.000 -2.997) 13.168 5.783 ( 13.555 0.000 6.762) 15.148 6.102 ( 5.163 0.000 0.059) 5.163 6.434 ( -17.536 0.000 15.343) 23.300 7.017 ( 6.167 0.000 -3.311) 6.999 7.313 ( 4.422 0.000 13.560) 14.263 7.812 ( -11.508 0.000 1.384) 11.591 8.395 ( -1.606 0.000 -7.126) 7.304 8.704 ( -1.546 0.000 -4.657) 4.907 8.902 ( 8.273 0.000 -5.303) 9.827 9.449 ( -12.749 0.000 5.278) 13.798 9.900 ( -7.438 0.000 -8.944) 11.633 10.922 ( 11.042 0.000 -16.370) 19.745 11.098 ( 20.034 0.000 10.150) 22.459 11.905 ( -3.243 0.000 2.533) 4.115 12.851 ( 2.918 0.000 -2.314) 3.725 13.416 ( -9.024 0.000 -13.913) 16.584 13.613 ( -12.993 0.000 1.088) 13.038 14.621 ( -2.021 0.000 -1.242) 2.372 14.744 ( -10.285 0.000 10.347) 14.589 16.023 ( -8.956 0.000 13.030) 15.811 17.249 ( 11.618 0.000 8.197) 14.219 18.661 ( -5.496 0.000 3.135) 6.327 19.073 ( -4.259 0.000 0.101) 4.260 19.959 ( -19.791 0.000 12.265) 23.284 22.540 ( -11.697 0.000 -19.647) 22.866 22.932 ( 14.848 0.000 -17.644) 23.060 23.000 ( 6.507 0.000 7.359) 9.823 ======================= Grid point 372 (184/260) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 2.622 0.000 7.993) 8.412 2.706 ( 7.983 0.000 -4.173) 9.008 3.165 ( -13.912 0.000 -17.792) 22.586 3.234 ( -3.206 0.000 -7.863) 8.492 3.586 ( 2.998 0.000 -10.316) 10.742 3.865 ( 16.770 0.000 6.938) 18.148 5.337 ( -9.241 0.000 -4.194) 10.148 5.338 ( -5.844 0.000 -9.260) 10.950 5.957 ( 5.277 0.000 6.816) 8.620 5.966 ( 17.574 0.000 6.416) 18.709 6.099 ( -13.552 0.000 19.361) 23.633 6.332 ( 15.111 0.000 -2.486) 15.314 7.128 ( 3.759 0.000 -5.089) 6.327 7.349 ( -4.235 0.000 0.709) 4.294 7.707 ( 4.007 0.000 14.128) 14.685 8.308 ( -7.197 0.000 2.223) 7.533 8.611 ( -6.609 0.000 -2.190) 6.962 9.040 ( 3.384 0.000 -4.076) 5.298 9.232 ( -5.549 0.000 -1.029) 5.644 9.746 ( -7.534 0.000 -5.693) 9.443 11.180 ( 14.437 0.000 -16.118) 21.639 11.459 ( 13.292 0.000 20.108) 24.104 11.894 ( 2.811 0.000 -4.990) 5.727 12.833 ( -4.912 0.000 -0.482) 4.935 13.229 ( -8.446 0.000 -17.090) 19.063 13.266 ( -19.335 0.000 0.650) 19.346 14.566 ( -6.382 0.000 15.813) 17.052 14.628 ( 2.950 0.000 -1.961) 3.542 16.034 ( 8.346 0.000 11.751) 14.414 17.519 ( 14.640 0.000 4.389) 15.284 18.283 ( -29.554 0.000 -1.246) 29.580 18.884 ( -13.948 0.000 2.261) 14.130 19.872 ( 9.030 0.000 18.537) 20.620 22.249 ( -14.569 0.000 -19.212) 24.111 23.092 ( 2.128 0.000 5.574) 5.967 23.168 ( 8.218 0.000 -18.679) 20.407 ======================= Grid point 373 (185/260) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 2.208 0.000 1.092) 2.464 2.777 ( 0.457 0.000 -18.212) 18.218 2.833 ( -14.985 0.000 -13.469) 20.149 3.153 ( -3.552 0.000 -13.504) 13.963 3.813 ( 16.772 0.000 4.263) 17.305 4.211 ( 15.136 0.000 8.445) 17.332 5.080 ( -16.317 0.000 2.607) 16.524 5.122 ( -14.221 0.000 -12.209) 18.742 5.947 ( -0.779 0.000 18.583) 18.599 6.049 ( 3.672 0.000 6.185) 7.193 6.293 ( 13.203 0.000 3.317) 13.613 6.629 ( 11.686 0.000 -4.464) 12.510 7.140 ( -3.310 0.000 -2.676) 4.257 7.238 ( -3.191 0.000 -9.247) 9.782 7.869 ( 7.541 0.000 18.493) 19.971 8.143 ( -6.742 0.000 6.376) 9.279 8.500 ( -1.674 0.000 -0.605) 1.780 8.957 ( -7.414 0.000 -6.511) 9.867 9.295 ( 6.814 0.000 -1.581) 6.995 9.575 ( -9.238 0.000 -0.951) 9.287 11.499 ( 16.643 0.000 -14.828) 22.291 11.596 ( -0.726 0.000 20.104) 20.117 12.039 ( 10.515 0.000 -0.468) 10.525 12.677 ( -8.950 0.000 0.230) 8.953 12.877 ( -17.070 0.000 -0.535) 17.079 13.061 ( -7.397 0.000 -16.733) 18.294 14.496 ( -1.476 0.000 16.606) 16.672 14.741 ( 7.611 0.000 -3.887) 8.546 16.323 ( 18.716 0.000 7.746) 20.255 17.606 ( -32.738 0.000 -1.969) 32.797 17.857 ( 17.358 0.000 -0.017) 17.358 18.530 ( -19.589 0.000 3.464) 19.893 20.187 ( 18.614 0.000 22.335) 29.075 21.943 ( -14.822 0.000 -22.197) 26.691 23.089 ( -2.504 0.000 5.216) 5.786 23.276 ( 3.264 0.000 -15.377) 15.719 ======================= Grid point 374 (186/260) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( -18.072 0.000 -2.532) 18.249 2.770 ( 0.175 0.000 -17.331) 17.332 2.830 ( 7.966 0.000 -5.916) 9.923 3.104 ( -0.301 0.000 -19.429) 19.432 4.181 ( 17.218 0.000 10.068) 19.946 4.433 ( 3.797 0.000 5.387) 6.591 4.687 ( -21.299 0.000 10.478) 23.737 4.798 ( -14.150 0.000 -5.646) 15.235 6.046 ( 8.313 0.000 9.982) 12.990 6.098 ( 0.034 0.000 5.325) 5.325 6.507 ( 7.876 0.000 1.375) 7.995 6.765 ( 3.024 0.000 -8.015) 8.567 6.977 ( -11.268 0.000 3.706) 11.862 7.205 ( -2.459 0.000 -5.609) 6.125 8.021 ( 9.587 0.000 7.855) 12.394 8.114 ( 3.994 0.000 4.463) 5.989 8.598 ( 9.860 0.000 2.160) 10.094 8.795 ( -8.103 0.000 -10.194) 13.023 9.362 ( -11.420 0.000 3.946) 12.082 9.410 ( 3.888 0.000 1.101) 4.041 11.459 ( -12.534 0.000 10.444) 16.315 11.804 ( 10.973 0.000 -9.651) 14.613 12.263 ( 10.206 0.000 11.667) 15.501 12.512 ( -6.293 0.000 -2.640) 6.824 12.628 ( -6.243 0.000 -0.115) 6.244 12.945 ( -1.564 0.000 -15.552) 15.630 14.482 ( -0.955 0.000 14.123) 14.156 14.901 ( 7.161 0.000 -6.628) 9.758 16.792 ( 26.689 0.000 5.768) 27.305 16.991 ( -25.832 0.000 -2.808) 25.984 18.132 ( -18.194 0.000 3.625) 18.552 18.244 ( 19.808 0.000 -1.880) 19.897 20.593 ( 19.524 0.000 24.661) 31.454 21.617 ( -16.471 0.000 -27.089) 31.703 22.996 ( -6.553 0.000 6.257) 9.060 23.311 ( 0.924 0.000 -10.863) 10.902 ======================= Grid point 375 (187/260) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -12.726 0.000 8.890) 15.524 2.790 ( 2.279 0.000 -11.688) 11.908 3.024 ( 10.698 0.000 -6.181) 12.355 3.141 ( 4.481 0.000 -22.242) 22.689 4.200 ( -22.679 0.000 11.917) 25.620 4.235 ( -18.318 0.000 -12.765) 22.328 4.527 ( 12.543 0.000 15.314) 19.795 4.707 ( 1.707 0.000 15.682) 15.774 5.995 ( -11.617 0.000 9.298) 14.880 6.193 ( 2.847 0.000 2.854) 4.031 6.574 ( -4.023 0.000 -1.491) 4.290 6.809 ( 1.992 0.000 -8.304) 8.540 6.862 ( 6.536 0.000 5.564) 8.583 7.143 ( -0.869 0.000 -5.592) 5.659 8.255 ( 7.680 0.000 6.052) 9.778 8.271 ( 11.963 0.000 -1.512) 12.058 8.622 ( -8.099 0.000 -14.526) 16.631 8.807 ( 6.757 0.000 6.349) 9.272 9.153 ( -5.577 0.000 3.983) 6.853 9.458 ( 1.239 0.000 3.704) 3.905 11.139 ( -17.234 0.000 4.729) 17.871 11.844 ( -6.869 0.000 0.634) 6.898 12.419 ( -3.189 0.000 -16.277) 16.587 12.442 ( 6.449 0.000 18.004) 19.125 12.617 ( 4.445 0.000 1.278) 4.625 13.077 ( 14.962 0.000 -10.757) 18.428 14.455 ( -1.917 0.000 10.689) 10.860 15.007 ( 3.401 0.000 -8.356) 9.021 16.567 ( -15.206 0.000 -3.487) 15.600 17.404 ( 31.511 0.000 8.039) 32.520 17.828 ( -10.224 0.000 0.834) 10.258 18.643 ( 18.229 0.000 -2.212) 18.362 20.985 ( 17.692 0.000 26.137) 31.562 21.244 ( -18.978 0.000 -31.717) 36.961 22.833 ( -9.333 0.000 8.113) 12.366 23.317 ( -0.031 0.000 -7.190) 7.191 ======================= Grid point 376 (188/260) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -0.698 0.000 20.840) 20.851 2.852 ( 3.523 0.000 -5.849) 6.828 3.244 ( 9.474 0.000 -3.473) 10.091 3.245 ( 3.880 0.000 -21.789) 22.132 3.751 ( -17.837 0.000 12.928) 22.030 3.867 ( -14.477 0.000 -15.987) 21.567 4.756 ( 2.434 0.000 19.616) 19.766 4.757 ( 8.725 0.000 16.815) 18.944 5.637 ( -22.055 0.000 16.074) 27.291 6.111 ( -8.884 0.000 4.561) 9.987 6.510 ( -0.168 0.000 -13.329) 13.330 6.832 ( -0.050 0.000 -4.018) 4.018 7.154 ( 17.732 0.000 5.776) 18.650 7.198 ( 5.264 0.000 -12.265) 13.347 8.320 ( -4.652 0.000 8.528) 9.714 8.383 ( -3.038 0.000 -0.853) 3.155 8.514 ( 0.343 0.000 -19.007) 19.010 8.789 ( -2.699 0.000 9.138) 9.529 9.280 ( 13.615 0.000 -1.758) 13.728 9.491 ( 2.500 0.000 6.469) 6.935 10.809 ( -14.247 0.000 2.659) 14.493 11.603 ( -14.829 0.000 0.556) 14.839 12.367 ( -1.064 0.000 -18.979) 19.008 12.525 ( 0.850 0.000 19.643) 19.661 12.782 ( 11.028 0.000 2.197) 11.245 13.458 ( 19.688 0.000 -9.149) 21.710 14.426 ( -0.580 0.000 8.440) 8.460 15.050 ( 1.387 0.000 -7.488) 7.616 16.361 ( -4.868 0.000 -4.717) 6.778 17.641 ( -3.100 0.000 0.647) 3.167 18.138 ( 33.564 0.000 5.410) 33.997 18.948 ( 10.564 0.000 -1.105) 10.621 20.834 ( -19.131 0.000 -32.315) 37.553 21.330 ( 15.000 0.000 27.156) 31.024 22.628 ( -10.527 0.000 9.607) 14.252 23.308 ( -0.683 0.000 -5.801) 5.841 ======================= Grid point 377 (189/260) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 10.774 0.000 24.394) 26.667 2.844 ( -9.012 0.000 7.688) 11.846 3.173 ( -3.504 0.000 -11.777) 12.287 3.268 ( -8.570 0.000 -0.742) 8.602 3.676 ( 8.095 0.000 -5.338) 9.697 3.798 ( 9.840 0.000 -15.881) 18.682 4.826 ( 4.006 0.000 21.991) 22.353 4.892 ( 4.085 0.000 18.101) 18.556 5.171 ( -22.260 0.000 21.103) 30.673 5.928 ( -8.038 0.000 4.051) 9.001 6.527 ( 1.811 0.000 -20.838) 20.916 6.778 ( -5.896 0.000 -1.041) 5.987 7.287 ( 2.628 0.000 -12.562) 12.834 7.498 ( 13.320 0.000 6.264) 14.720 8.168 ( -6.656 0.000 0.182) 6.658 8.251 ( -5.529 0.000 4.401) 7.067 8.532 ( -0.051 0.000 -13.771) 13.771 8.762 ( -2.006 0.000 0.360) 2.038 9.579 ( 5.646 0.000 8.561) 10.255 9.580 ( 14.781 0.000 -0.422) 14.787 10.566 ( -9.650 0.000 0.742) 9.678 11.280 ( -15.914 0.000 -4.780) 16.616 12.376 ( 2.633 0.000 -16.484) 16.693 12.487 ( -4.898 0.000 17.972) 18.628 13.049 ( 14.331 0.000 2.506) 14.548 13.782 ( 10.109 0.000 -6.902) 12.241 14.476 ( 6.331 0.000 5.876) 8.638 15.066 ( 0.075 0.000 -4.192) 4.193 16.359 ( 4.548 0.000 -5.341) 7.015 17.617 ( -0.173 0.000 -8.522) 8.524 18.750 ( 21.698 0.000 1.903) 21.781 19.047 ( -1.059 0.000 1.266) 1.650 20.543 ( -3.485 0.000 -21.935) 22.211 21.592 ( 8.229 0.000 27.358) 28.568 22.429 ( -7.855 0.000 9.522) 12.344 23.281 ( -1.909 0.000 -6.846) 7.107 ======================= Grid point 378 (190/260) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 14.690 0.000 18.914) 23.949 2.540 ( -15.736 0.000 16.670) 22.924 3.039 ( -11.496 0.000 1.148) 11.554 3.224 ( 5.209 0.000 -12.095) 13.169 3.882 ( 9.874 0.000 -9.737) 13.867 4.076 ( 12.382 0.000 -14.900) 19.374 4.812 ( -9.855 0.000 26.564) 28.333 4.938 ( 5.991 0.000 22.042) 22.842 4.944 ( 1.059 0.000 16.870) 16.903 5.801 ( -4.412 0.000 2.268) 4.961 6.565 ( 2.606 0.000 -23.187) 23.333 6.580 ( -12.730 0.000 0.821) 12.756 7.293 ( -1.083 0.000 -6.334) 6.426 7.567 ( -7.780 0.000 7.917) 11.099 8.189 ( 9.477 0.000 -1.398) 9.580 8.227 ( 2.032 0.000 3.258) 3.840 8.501 ( -2.000 0.000 -15.376) 15.506 8.684 ( -4.976 0.000 -4.347) 6.607 9.706 ( 5.701 0.000 9.863) 11.392 9.882 ( 14.855 0.000 1.189) 14.903 10.400 ( -6.718 0.000 -2.048) 7.023 10.972 ( -13.252 0.000 -10.569) 16.950 12.351 ( -8.364 0.000 14.824) 17.021 12.462 ( 5.889 0.000 -13.380) 14.618 13.348 ( 14.241 0.000 1.993) 14.379 13.848 ( -2.207 0.000 -2.741) 3.519 14.683 ( 11.923 0.000 1.156) 11.979 15.029 ( -4.100 0.000 -0.662) 4.153 16.528 ( 11.374 0.000 -2.967) 11.754 17.523 ( -12.175 0.000 -15.943) 20.060 18.928 ( -0.162 0.000 -6.795) 6.797 18.929 ( -9.330 0.000 4.214) 10.237 20.854 ( 32.437 0.000 -6.591) 33.100 21.572 ( -12.464 0.000 22.252) 25.505 22.401 ( 5.790 0.000 11.214) 12.621 23.217 ( -4.325 0.000 -9.340) 10.292 ======================= Grid point 379 (191/260) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( -3.634 5.929 19.939) 21.117 2.678 ( 10.553 6.043 12.220) 17.240 2.992 ( -8.014 14.193 2.657) 16.514 3.297 ( 2.212 -1.360 -8.281) 8.678 3.965 ( -4.393 0.490 -4.656) 6.421 4.222 ( -2.771 8.895 -16.086) 18.590 4.868 ( 8.225 -4.940 16.285) 18.901 5.064 ( 14.092 5.315 16.143) 22.077 5.136 ( 7.806 5.046 17.780) 20.063 5.792 ( -4.729 5.489 0.049) 7.245 6.320 ( -10.500 0.965 -0.687) 10.566 6.624 ( 4.913 -0.089 -18.937) 19.564 7.232 ( -15.538 -3.909 9.584) 18.669 7.293 ( -1.304 -0.701 2.651) 3.036 8.170 ( -1.350 -5.924 3.230) 6.881 8.462 ( 1.701 1.169 -13.004) 13.166 8.479 ( 10.429 2.449 -4.698) 11.697 8.633 ( -2.776 2.292 -8.099) 8.863 9.751 ( 0.491 -2.810 10.894) 11.261 10.127 ( 1.739 -2.096 -8.643) 9.062 10.384 ( 7.082 5.187 5.345) 10.277 10.823 ( -5.618 5.514 -15.782) 17.636 12.190 ( -6.099 2.088 13.363) 14.836 12.665 ( 6.960 6.564 -10.105) 13.915 13.598 ( 10.445 -1.656 2.184) 10.799 13.774 ( -7.530 2.714 -3.674) 8.807 14.777 ( 7.053 -10.985 -0.030) 13.054 14.815 ( -8.639 -7.765 -0.318) 11.621 16.798 ( 10.788 0.321 3.924) 11.484 17.036 ( -30.474 -0.743 -8.428) 31.627 18.701 ( -2.733 -3.363 5.013) 6.627 18.927 ( 1.874 -4.068 -5.789) 7.319 21.081 ( -24.958 -6.658 13.451) 29.123 21.441 ( 35.095 -16.869 -4.406) 39.187 22.790 ( 12.467 15.218 5.475) 20.420 23.128 ( -7.188 3.624 -9.812) 12.692 ======================= Grid point 380 (192/260) ======================= q-point: ( 0.10 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 5.344 8.649 17.744) 20.450 2.736 ( -5.450 12.023 20.889) 24.710 3.022 ( 11.309 3.246 -7.794) 14.113 3.295 ( -1.950 -3.506 -7.925) 8.883 3.816 ( -8.104 0.131 -7.382) 10.962 4.035 ( -13.073 8.384 -10.173) 18.566 5.126 ( 14.243 -5.879 6.321) 16.655 5.321 ( 10.103 6.712 13.639) 18.252 5.444 ( 19.384 3.718 10.626) 22.416 5.669 ( -6.597 1.676 -3.136) 7.494 6.156 ( -4.952 3.435 -2.783) 6.639 6.689 ( -4.946 0.570 -4.664) 6.822 6.912 ( -7.170 -7.375 6.624) 12.234 7.313 ( 2.027 4.337 8.073) 9.386 8.045 ( -9.896 -1.713 2.069) 10.254 8.463 ( -1.476 5.022 -10.841) 12.039 8.649 ( 6.409 -2.446 -8.929) 11.260 8.717 ( 8.914 0.959 -4.134) 9.872 9.676 ( -7.834 -0.972 9.469) 12.328 10.032 ( -6.990 -2.494 -10.874) 13.165 10.636 ( 11.548 -1.804 2.125) 11.880 10.854 ( 10.626 7.901 -11.326) 17.425 12.072 ( -5.251 6.123 9.154) 12.201 12.797 ( 5.480 5.185 -7.997) 10.994 13.602 ( -8.592 0.674 -8.162) 11.870 13.734 ( 1.299 -1.283 2.987) 3.501 14.634 ( -7.040 -7.164 -1.367) 10.137 14.853 ( -1.021 -6.563 3.588) 7.549 16.357 ( -27.339 -4.953 6.571) 28.550 17.065 ( 10.221 3.912 8.486) 13.848 18.660 ( 0.772 -0.645 3.594) 3.732 18.975 ( -0.569 -9.545 -3.067) 10.041 20.535 ( -26.764 0.695 9.920) 28.552 22.103 ( 28.150 -21.366 -9.590) 36.618 22.880 ( -9.394 4.531 -8.926) 13.728 23.075 ( 7.668 13.149 -1.910) 15.341 ======================= Grid point 381 (193/260) ======================= q-point: ( 0.20 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 8.676 8.468 12.248) 17.234 2.647 ( -0.704 9.797 14.968) 17.904 3.231 ( -3.119 -5.259 -5.511) 8.231 3.262 ( 8.225 -0.556 -13.716) 16.003 3.679 ( -3.890 1.516 -7.960) 8.988 3.756 ( -10.938 5.325 -8.053) 14.589 5.337 ( 4.252 -3.147 -0.501) 5.314 5.488 ( -4.336 0.697 1.600) 4.674 5.620 ( 12.479 2.077 -1.543) 12.744 5.807 ( 13.907 2.853 10.121) 17.435 6.142 ( 4.654 3.330 -2.614) 6.291 6.370 ( -18.108 -5.889 15.238) 24.389 7.003 ( 8.342 -0.440 -6.141) 10.368 7.388 ( 4.502 6.153 13.484) 15.490 7.814 ( -11.146 0.287 1.215) 11.215 8.413 ( -3.589 1.795 -3.518) 5.337 8.738 ( 1.240 3.595 -6.138) 7.221 8.884 ( 7.573 -1.483 -5.683) 9.584 9.471 ( -11.198 2.172 5.542) 12.682 9.886 ( -6.498 -1.546 -10.082) 12.094 10.840 ( 10.353 -6.339 -6.843) 13.935 11.181 ( 17.832 6.416 2.435) 19.107 11.992 ( -2.598 8.350 3.494) 9.417 12.853 ( -0.635 0.540 -5.784) 5.844 13.418 ( -8.723 0.314 -13.584) 16.147 13.649 ( -8.587 3.084 4.483) 10.166 14.522 ( -5.257 -6.352 0.347) 8.252 14.766 ( -5.465 -0.772 6.550) 8.565 15.989 ( -7.763 -3.522 12.080) 14.785 17.277 ( 11.057 2.865 9.644) 14.949 18.665 ( -9.275 -0.222 2.489) 9.605 18.868 ( -3.969 -18.314 0.147) 18.740 20.082 ( -15.364 10.825 10.645) 21.599 22.524 ( 3.703 -8.511 -20.529) 22.529 22.660 ( -0.497 -8.518 -2.726) 8.957 23.224 ( 5.485 10.368 -4.648) 12.617 ======================= Grid point 382 (194/260) ======================= q-point: ( 0.30 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -0.490 4.013 9.173) 10.025 2.818 ( 8.255 9.074 -6.984) 14.116 3.135 ( -8.198 -1.769 -2.597) 8.779 3.254 ( -4.778 1.093 -16.709) 17.413 3.559 ( -0.563 -2.057 -10.417) 10.633 3.862 ( 14.700 -0.730 5.045) 15.558 5.293 ( -6.965 -4.225 -10.494) 13.284 5.334 ( -11.034 -1.902 -2.038) 11.381 5.844 ( 7.147 -5.818 4.982) 10.476 6.032 ( -8.514 -4.100 23.638) 25.457 6.108 ( 13.019 7.375 4.230) 15.549 6.378 ( 14.432 4.691 -3.864) 15.659 7.152 ( 5.631 2.453 -6.249) 8.762 7.396 ( -6.329 3.896 0.983) 7.497 7.712 ( 2.828 0.197 12.935) 13.242 8.309 ( -5.817 1.774 5.146) 7.966 8.677 ( -6.438 5.016 -2.784) 8.623 9.023 ( 4.880 -1.198 -5.505) 7.453 9.270 ( -6.855 3.915 0.534) 7.912 9.764 ( -5.398 1.646 -7.084) 9.057 11.082 ( 13.502 -8.534 -7.393) 17.601 11.512 ( 13.220 3.723 11.380) 17.836 11.962 ( -0.707 6.052 -2.242) 6.492 12.751 ( -8.554 -4.656 -4.492) 10.725 13.242 ( -8.051 2.167 -16.651) 18.621 13.438 ( -11.229 13.526 4.270) 18.091 14.405 ( -4.684 -9.595 9.011) 13.972 14.710 ( 0.001 2.018 1.809) 2.710 16.023 ( 9.351 -1.353 10.085) 13.819 17.545 ( 14.914 2.698 6.215) 16.381 18.174 ( -31.870 -11.192 0.910) 33.790 18.845 ( -4.921 -2.974 1.770) 6.016 19.964 ( 3.574 8.778 16.142) 18.719 22.268 ( -15.476 1.713 -19.827) 25.210 22.874 ( 9.558 -15.229 -3.021) 18.232 23.290 ( 1.362 5.618 -8.037) 9.900 ======================= Grid point 383 (195/260) ======================= q-point: ( 0.40 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( -2.011 -1.812 0.651) 2.784 2.834 ( -10.041 0.801 -10.507) 14.555 2.944 ( -1.554 11.541 -19.323) 22.561 3.173 ( -3.099 2.396 -11.308) 11.967 3.742 ( 15.786 -7.114 4.616) 17.919 4.182 ( 14.517 -3.364 7.000) 16.464 5.007 ( -19.593 -8.138 2.403) 21.352 5.090 ( -12.390 -3.108 -10.332) 16.430 5.926 ( 2.281 -2.103 11.547) 11.956 5.987 ( 4.154 -4.033 8.995) 10.697 6.391 ( 11.739 8.179 5.310) 15.261 6.658 ( 10.375 3.337 -4.708) 11.872 7.188 ( -3.831 4.773 -1.786) 6.376 7.270 ( -2.651 2.900 -8.516) 9.378 7.792 ( 3.888 -6.769 15.563) 17.411 8.227 ( -2.993 7.711 7.437) 11.123 8.556 ( -1.989 4.508 -0.311) 4.937 8.981 ( -6.971 3.479 -5.495) 9.534 9.281 ( 5.557 -1.017 -0.010) 5.650 9.641 ( -6.808 6.095 -3.359) 9.736 11.382 ( 14.963 -8.976 -2.711) 17.658 11.692 ( 3.088 6.344 9.360) 11.721 11.950 ( 0.199 -8.259 0.364) 8.270 12.550 ( -9.719 -4.841 -4.838) 11.887 13.098 ( -4.487 11.768 -13.007) 18.105 13.208 ( -10.895 16.885 0.786) 20.110 14.372 ( 0.632 -10.227 13.178) 16.693 14.748 ( 3.345 -1.339 -3.842) 5.267 16.331 ( 19.748 0.693 6.191) 20.708 17.496 ( -32.195 -10.347 0.713) 33.824 17.890 ( 18.247 3.671 2.258) 18.749 18.612 ( -16.435 7.313 1.742) 18.073 20.188 ( 15.685 0.247 21.348) 26.492 21.939 ( -16.058 -0.557 -22.807) 27.899 23.001 ( 2.784 -8.302 1.770) 8.933 23.289 ( -0.663 0.842 -10.564) 10.619 ======================= Grid point 384 (196/260) ======================= q-point: (-0.50 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( -14.130 0.761 -0.825) 14.175 2.705 ( -0.002 -1.204 -8.281) 8.368 2.978 ( 3.751 8.559 -15.171) 17.818 3.134 ( 0.184 3.921 -17.252) 17.693 4.087 ( 14.913 -9.783 10.318) 20.605 4.401 ( 4.402 -3.852 3.488) 6.810 4.582 ( -20.220 -8.605 9.689) 24.016 4.820 ( -11.271 0.336 -5.013) 12.340 6.005 ( 2.665 -2.785 7.252) 8.212 6.107 ( 7.986 -0.188 4.363) 9.102 6.574 ( 5.767 5.528 2.097) 8.259 6.772 ( 2.901 1.923 -5.525) 6.530 6.982 ( -13.978 1.466 4.562) 14.777 7.264 ( -0.803 5.284 -5.120) 7.401 7.967 ( 13.156 -4.236 9.340) 16.681 8.166 ( -0.723 2.461 -0.553) 2.624 8.608 ( 1.734 1.478 5.107) 5.593 8.860 ( -1.180 8.485 -8.448) 12.031 9.364 ( -0.780 -1.557 4.448) 4.777 9.494 ( -5.031 9.063 -1.509) 10.475 11.465 ( -11.221 0.665 9.168) 14.505 11.810 ( 12.347 -0.719 -10.946) 16.516 11.998 ( 4.393 -17.323 12.082) 21.572 12.381 ( -6.352 -7.149 -6.226) 11.411 12.962 ( -9.673 20.614 0.629) 22.780 13.131 ( 5.323 17.243 -9.008) 20.169 14.391 ( -0.121 -8.589 13.429) 15.941 14.834 ( 4.942 -6.892 -8.349) 11.900 16.817 ( 25.929 2.020 3.703) 26.270 16.907 ( -23.321 -7.734 -0.190) 24.571 18.221 ( -10.222 7.644 3.226) 13.165 18.306 ( 11.779 7.124 -1.336) 13.830 20.556 ( 18.558 -3.746 24.669) 31.096 21.589 ( -17.452 -2.846 -27.078) 32.340 22.984 ( -4.494 -1.396 5.565) 7.288 23.280 ( 0.361 -3.008 -10.012) 10.460 ======================= Grid point 385 (197/260) ======================= q-point: (-0.40 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -10.059 6.672 9.247) 15.206 2.752 ( 4.023 -2.092 -7.247) 8.549 3.067 ( 4.649 2.305 -10.269) 11.506 3.194 ( 6.729 6.289 -19.392) 21.468 4.038 ( -18.974 -12.949 8.104) 24.359 4.256 ( -15.616 -1.206 -5.215) 16.507 4.499 ( 11.130 -2.873 11.216) 16.060 4.748 ( 2.203 3.304 13.076) 13.666 5.976 ( -6.901 -1.773 4.980) 8.693 6.260 ( 4.147 5.483 2.853) 7.442 6.558 ( -8.667 -1.212 -0.166) 8.752 6.795 ( 0.075 -4.909 -0.930) 4.997 6.857 ( 5.346 4.752 -1.342) 7.278 7.219 ( -0.228 6.911 -2.349) 7.303 8.226 ( 4.948 -5.483 -6.750) 10.005 8.276 ( 13.963 -0.396 6.654) 15.472 8.513 ( -7.049 -2.935 4.352) 8.789 8.964 ( 4.785 11.456 -6.651) 14.085 9.218 ( -6.191 5.986 2.456) 8.955 9.495 ( 1.585 3.635 3.585) 5.346 11.151 ( -16.678 1.435 3.359) 17.073 11.884 ( -5.139 3.760 2.388) 6.801 12.213 ( 13.026 -14.317 4.996) 19.990 12.280 ( -3.241 -12.099 -4.862) 13.436 12.822 ( -2.581 14.770 -1.826) 15.105 13.331 ( 13.552 20.675 -5.304) 25.283 14.369 ( -1.923 -8.520 10.344) 13.538 14.930 ( 4.295 -7.600 -8.804) 12.398 16.499 ( -14.600 -6.609 -2.303) 16.191 17.428 ( 30.503 2.295 5.075) 31.007 17.919 ( -11.215 8.904 0.750) 14.340 18.673 ( 16.573 3.026 -1.637) 16.927 20.937 ( 17.153 -5.070 26.057) 31.605 21.207 ( -18.402 -3.426 -29.353) 34.813 22.841 ( -8.989 0.803 6.037) 10.858 23.292 ( 0.837 -2.456 -6.556) 7.051 ======================= Grid point 386 (198/260) ======================= q-point: (-0.30 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 0.458 10.637 19.930) 22.596 2.846 ( 4.599 -0.268 -4.352) 6.338 3.120 ( -1.043 -4.511 -5.221) 6.979 3.394 ( 12.576 8.037 -17.030) 22.645 3.681 ( -12.789 -6.414 10.054) 17.486 3.922 ( -14.080 4.247 -14.180) 20.429 4.709 ( 7.506 -2.692 15.868) 17.759 4.823 ( 4.370 4.064 17.517) 18.506 5.700 ( -19.389 6.039 12.277) 23.730 6.185 ( -9.806 6.899 4.761) 12.900 6.456 ( 0.142 -4.008 -9.952) 10.729 6.870 ( 2.285 0.251 -11.178) 11.412 6.934 ( 4.715 -10.939 3.675) 12.466 7.365 ( 13.386 8.785 -3.698) 16.433 8.189 ( -9.536 -11.223 0.130) 14.728 8.396 ( 1.768 3.037 6.565) 7.446 8.584 ( 9.023 1.147 -2.490) 9.431 8.822 ( -12.027 5.769 -4.134) 13.965 9.346 ( 13.074 6.740 -2.176) 14.869 9.526 ( 1.586 2.861 5.172) 6.120 10.837 ( -13.539 2.864 1.613) 13.933 11.672 ( -14.291 6.385 -0.076) 15.652 12.246 ( 0.424 -10.443 -5.827) 11.967 12.427 ( 6.651 -7.763 10.297) 14.510 12.869 ( 6.737 7.493 -1.052) 10.131 13.642 ( 15.538 16.186 -6.965) 23.493 14.342 ( -0.491 -8.384 8.220) 11.751 14.999 ( 2.614 -5.168 -7.092) 9.156 16.305 ( -4.200 -5.319 -4.807) 8.309 17.693 ( -3.089 4.711 2.263) 6.071 18.146 ( 30.737 1.075 1.384) 30.787 18.921 ( 6.410 -2.879 -1.912) 7.282 20.803 ( -17.386 -2.608 -28.144) 33.184 21.300 ( 15.373 -3.259 28.031) 32.136 22.641 ( -10.074 1.122 5.763) 11.660 23.304 ( 0.293 -0.367 -4.814) 4.837 ======================= Grid point 387 (199/260) ======================= q-point: (-0.20 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 9.712 10.658 23.027) 27.169 2.813 ( -11.149 -1.799 9.344) 14.658 3.089 ( 3.578 -2.168 -5.109) 6.603 3.446 ( -10.869 7.740 -0.737) 13.364 3.696 ( 12.661 5.139 -11.020) 17.554 3.831 ( 8.234 2.987 -15.869) 18.126 4.826 ( 4.323 -0.454 20.073) 20.538 4.920 ( 3.792 2.731 18.001) 18.598 5.259 ( -22.066 9.117 18.003) 29.902 5.995 ( -7.795 6.296 3.847) 10.733 6.479 ( 1.899 -3.689 -17.517) 18.002 6.798 ( -7.312 1.324 -1.923) 7.676 7.099 ( 8.644 -14.580 -8.631) 19.021 7.638 ( 8.954 9.472 1.116) 13.082 7.992 ( -5.792 -11.250 5.344) 13.736 8.380 ( -3.887 5.490 4.036) 7.844 8.577 ( -6.572 4.655 -14.724) 16.782 8.741 ( 2.118 -0.933 0.286) 2.332 9.576 ( 4.036 0.478 5.980) 7.231 9.634 ( 13.889 4.495 -1.204) 14.648 10.600 ( -9.697 3.624 0.548) 10.366 11.348 ( -16.210 6.141 -5.827) 18.288 12.279 ( 2.146 -7.219 0.801) 7.573 12.503 ( 1.313 0.199 5.461) 5.620 13.070 ( 12.216 1.985 1.025) 12.419 13.890 ( 6.791 10.047 -6.771) 13.889 14.385 ( 5.672 -8.868 5.365) 11.815 15.027 ( -0.129 -4.303 -3.910) 5.815 16.324 ( 6.059 -2.745 -6.084) 9.014 17.672 ( 0.305 5.177 -7.365) 9.008 18.724 ( 22.009 -4.319 1.501) 22.479 18.906 ( -7.186 -12.264 -2.018) 14.357 20.549 ( -3.267 1.179 -16.493) 16.855 21.556 ( 6.498 -4.386 27.469) 28.566 22.475 ( -4.276 4.435 4.838) 7.834 23.295 ( -1.157 1.497 -5.279) 5.608 ======================= Grid point 388 (200/260) ======================= q-point: (-0.10 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 10.059 6.334 19.178) 22.563 2.559 ( -9.348 3.387 15.380) 18.313 3.179 ( -3.468 9.879 -0.712) 10.495 3.232 ( -1.956 2.404 -6.518) 7.217 3.918 ( 8.644 5.278 -10.000) 14.233 4.104 ( 13.595 2.221 -14.899) 20.291 4.883 ( -9.633 4.517 19.099) 21.863 4.915 ( 0.847 1.869 22.031) 22.127 4.998 ( 4.582 4.137 19.147) 20.118 5.875 ( -4.256 7.183 2.408) 8.690 6.505 ( -1.181 -3.891 -13.766) 14.354 6.607 ( -7.934 0.857 -7.870) 11.208 7.235 ( 4.333 -6.373 -6.162) 9.867 7.563 ( -12.640 -0.632 9.700) 15.945 8.083 ( 8.896 -7.115 1.976) 11.561 8.328 ( 1.772 7.308 -0.759) 7.558 8.480 ( -2.899 -2.217 -14.176) 14.638 8.722 ( -3.649 3.973 -5.014) 7.364 9.678 ( 5.146 -2.437 9.188) 10.809 9.920 ( 13.719 2.928 -1.461) 14.104 10.430 ( -6.920 3.467 -0.513) 7.757 11.034 ( -13.441 5.556 -11.402) 18.481 12.286 ( -2.701 -3.590 12.768) 13.536 12.545 ( 4.204 5.951 -7.656) 10.568 13.342 ( 13.541 -0.788 2.032) 13.716 13.902 ( -4.058 5.306 -2.879) 7.274 14.574 ( 11.071 -10.489 0.454) 15.257 14.972 ( -5.411 -6.189 -1.375) 8.335 16.526 ( 12.822 0.241 -3.352) 13.255 17.564 ( -15.014 3.649 -15.723) 22.044 18.737 ( -4.816 -15.846 2.575) 16.761 18.952 ( 0.601 -1.157 -4.006) 4.213 20.779 ( 25.420 -5.632 -2.917) 26.199 21.490 ( -13.615 -8.301 20.285) 25.802 22.539 ( 9.748 12.135 6.700) 16.946 23.244 ( -3.843 2.736 -7.313) 8.702 ======================= Grid point 389 (201/260) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( -0.446 9.826 17.914) 20.437 2.805 ( 8.026 6.587 9.897) 14.344 3.198 ( -2.900 -0.068 -1.110) 3.106 3.379 ( -3.444 15.782 3.305) 16.488 4.055 ( -8.890 7.953 -3.050) 12.312 4.385 ( 3.579 7.716 -21.315) 22.950 4.792 ( 0.751 -1.941 18.391) 18.509 5.196 ( 13.770 8.563 11.665) 19.975 5.267 ( 9.413 8.603 16.152) 20.579 5.903 ( -8.789 5.157 4.921) 11.316 6.343 ( -6.929 1.124 -6.870) 9.822 6.621 ( 6.940 -0.318 -16.763) 18.145 7.121 ( -21.331 -7.172 12.885) 25.932 7.253 ( 6.256 -3.908 2.384) 7.752 8.042 ( 2.438 -6.794 -0.120) 7.219 8.392 ( 5.773 -5.500 -15.892) 17.780 8.643 ( 7.165 12.018 -2.315) 14.182 8.717 ( -7.452 6.305 -5.844) 11.378 9.682 ( 1.114 -4.104 10.480) 11.310 10.062 ( -0.841 -4.762 -9.989) 11.097 10.517 ( 3.778 8.130 6.531) 11.091 10.938 ( -3.896 5.815 -14.411) 16.021 12.265 ( -1.600 5.745 16.612) 17.650 12.820 ( 7.230 8.866 -10.308) 15.399 13.531 ( 9.345 -5.782 5.897) 12.471 13.853 ( -9.777 5.473 -4.930) 12.241 14.499 ( 6.784 -17.147 -1.114) 18.474 14.641 ( -6.148 -9.111 -4.251) 11.785 16.744 ( -6.689 -6.184 9.721) 13.322 17.070 ( -14.588 4.721 -8.652) 17.605 18.617 ( 7.280 -5.104 1.684) 9.050 18.794 ( -5.153 -10.020 -6.533) 13.024 20.941 ( -18.592 -6.916 10.493) 22.441 21.138 ( 25.925 -13.335 0.694) 29.161 23.060 ( 11.812 11.728 0.162) 16.647 23.209 ( -6.507 4.588 -6.300) 10.153 ======================= Grid point 390 (202/260) ======================= q-point: ( 0.10 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 6.116 11.136 15.031) 19.681 2.950 ( 3.726 6.634 11.682) 13.942 3.141 ( -0.922 2.770 -4.482) 5.349 3.263 ( -6.566 9.437 7.467) 13.708 3.871 ( -8.082 4.703 -9.085) 13.038 4.191 ( -15.568 7.833 -11.151) 20.690 5.026 ( 14.635 -4.398 6.568) 16.634 5.484 ( 10.943 8.329 -2.810) 14.036 5.513 ( 13.037 4.636 22.376) 26.309 5.719 ( -6.060 3.788 3.866) 8.125 6.215 ( -4.922 1.263 -7.985) 9.464 6.653 ( -21.005 -5.550 8.735) 23.416 6.810 ( 8.798 -1.070 -9.949) 13.324 7.370 ( 5.457 1.012 9.948) 11.392 8.006 ( -5.711 -2.313 -0.797) 6.213 8.558 ( -5.666 1.412 -5.495) 8.018 8.610 ( 12.339 0.857 -13.800) 18.532 8.787 ( 5.968 7.836 -1.941) 10.040 9.650 ( -4.529 -1.721 9.739) 10.877 9.959 ( -6.782 -5.255 -11.658) 14.475 10.620 ( 4.456 0.261 3.090) 5.429 11.014 ( 11.135 8.202 -8.458) 16.211 12.227 ( -2.229 9.443 11.854) 15.319 12.922 ( 2.226 7.131 -12.456) 14.524 13.605 ( -6.682 -1.994 -4.856) 8.497 13.696 ( -0.680 -0.803 4.179) 4.309 14.511 ( -1.631 -5.033 -4.680) 7.064 14.658 ( 3.560 -12.829 1.806) 13.436 16.242 ( -26.014 -6.416 12.336) 29.497 17.161 ( 9.028 5.871 7.017) 12.853 18.560 ( -4.694 -13.476 -4.395) 14.932 18.789 ( -2.679 -5.592 0.137) 6.202 20.577 ( -16.045 3.738 7.917) 18.279 21.692 ( 26.420 -20.390 -4.079) 33.622 22.983 ( -12.392 5.694 -9.209) 16.455 23.283 ( 6.887 8.108 -2.500) 10.928 ======================= Grid point 391 (203/260) ======================= q-point: ( 0.20 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 9.701 11.005 8.382) 16.896 2.898 ( -5.645 15.574 14.647) 22.112 3.118 ( -2.992 -5.962 4.738) 8.182 3.268 ( 5.756 1.980 -8.964) 10.835 3.714 ( -7.038 2.000 -9.827) 12.252 3.872 ( -12.841 6.843 -10.984) 18.231 5.231 ( 2.913 -8.240 -2.868) 9.198 5.486 ( -7.898 -1.150 2.203) 8.279 5.662 ( 5.736 1.252 0.232) 5.875 5.931 ( 17.801 10.698 17.415) 27.103 6.115 ( -8.869 -8.215 3.562) 12.603 6.326 ( -3.034 3.773 1.069) 4.958 7.012 ( 10.013 0.918 -9.411) 13.772 7.493 ( 5.039 4.111 13.411) 14.904 7.831 ( -9.777 1.576 -0.258) 9.907 8.455 ( -3.832 2.110 0.520) 4.406 8.832 ( 2.259 5.730 -5.142) 8.024 8.872 ( 7.390 1.159 -8.451) 11.286 9.523 ( -7.416 3.022 6.601) 10.378 9.835 ( -4.013 -3.964 -11.940) 13.206 10.726 ( 6.553 -4.959 0.094) 8.218 11.293 ( 14.049 4.472 -0.142) 14.744 12.181 ( -2.874 10.276 6.356) 12.420 12.883 ( -5.347 2.758 -12.576) 13.941 13.437 ( -7.155 2.072 -13.494) 15.413 13.695 ( -0.511 1.294 10.222) 10.316 14.463 ( -5.539 0.761 -1.121) 5.703 14.681 ( -0.503 -7.786 2.488) 8.190 15.897 ( -6.298 -5.690 11.566) 14.346 17.350 ( 10.212 4.485 12.226) 16.550 18.403 ( -17.022 -24.378 -0.389) 29.735 18.713 ( 1.392 0.771 0.229) 1.608 20.311 ( -10.090 12.336 8.502) 18.063 22.176 ( 20.300 -20.704 -7.985) 30.075 22.683 ( -15.872 4.029 -11.377) 19.939 23.368 ( 1.710 5.016 -4.127) 6.717 ======================= Grid point 392 (204/260) ======================= q-point: ( 0.30 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( -6.128 11.978 10.018) 16.774 2.957 ( 0.624 3.620 -8.470) 9.232 3.140 ( 8.079 2.089 18.168) 19.993 3.271 ( -5.572 1.880 -23.516) 24.240 3.540 ( -7.669 0.561 -11.175) 13.566 3.830 ( 8.631 -2.185 -0.556) 8.921 5.129 ( -11.931 -13.853 -7.927) 19.927 5.259 ( -13.673 -5.907 -1.337) 14.954 5.761 ( 4.242 -2.288 6.573) 8.151 5.946 ( -3.317 -3.607 11.913) 12.881 6.292 ( 15.533 11.251 13.558) 23.488 6.498 ( 14.417 7.315 -7.371) 17.768 7.205 ( 8.771 2.185 -5.999) 10.849 7.457 ( -8.543 1.857 2.679) 9.143 7.713 ( -2.784 0.588 7.708) 8.216 8.417 ( 0.612 9.183 8.781) 12.721 8.727 ( -8.529 -0.738 -3.997) 9.448 9.044 ( 7.106 4.412 -7.481) 11.222 9.369 ( -7.329 5.926 4.228) 10.330 9.793 ( -0.471 0.966 -10.156) 10.212 10.904 ( 11.000 -9.217 0.147) 14.352 11.548 ( 10.493 -0.653 5.311) 11.778 12.082 ( -7.608 6.249 3.707) 10.520 12.726 ( -9.248 1.275 -12.316) 15.455 13.327 ( -2.511 7.198 -14.020) 15.958 13.679 ( -2.318 10.151 9.197) 13.892 14.278 ( -9.357 -2.261 6.092) 11.392 14.678 ( -0.191 -5.079 -2.952) 5.877 15.974 ( 11.901 -3.906 5.955) 13.869 17.621 ( 15.983 5.086 10.951) 20.031 17.889 ( -29.862 -17.170 4.982) 34.805 18.801 ( 3.500 -1.551 -0.630) 3.879 20.167 ( -3.668 11.651 12.470) 17.456 22.293 ( -16.160 -0.206 -23.989) 28.925 22.565 ( 12.685 -15.669 1.814) 20.241 23.363 ( -1.832 2.277 -5.392) 6.133 ======================= Grid point 393 (205/260) ======================= q-point: ( 0.40 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( -7.016 5.691 3.948) 9.859 2.861 ( -7.490 2.385 -2.780) 8.337 3.126 ( -4.160 5.929 -24.379) 25.432 3.282 ( 0.266 9.701 -5.706) 11.258 3.566 ( 11.774 -10.325 4.373) 16.259 4.072 ( 12.580 -8.066 2.618) 15.172 4.771 ( -20.220 -15.878 3.179) 25.905 4.996 ( -12.115 -7.110 -10.115) 17.310 5.872 ( 7.961 -2.566 2.145) 8.635 5.957 ( 1.424 0.543 11.908) 12.005 6.553 ( 9.180 8.205 10.580) 16.234 6.767 ( 9.120 7.926 -5.135) 13.129 7.305 ( -3.169 6.979 -2.537) 8.074 7.328 ( -1.245 2.345 -4.728) 5.423 7.653 ( 1.787 -6.817 11.644) 13.611 8.367 ( -9.702 4.340 0.815) 10.660 8.651 ( 4.283 6.864 5.608) 9.844 9.116 ( -1.352 10.181 -7.119) 12.497 9.277 ( 0.415 1.031 5.893) 5.997 9.768 ( -2.447 6.225 -7.879) 10.335 11.181 ( 15.786 -11.675 2.027) 19.739 11.725 ( 5.663 -6.212 7.063) 10.980 11.875 ( -11.039 5.121 2.774) 12.481 12.499 ( -12.029 -1.979 -12.267) 17.295 13.344 ( 4.270 14.036 -9.089) 17.258 13.557 ( -9.604 17.186 6.668) 20.786 14.190 ( 0.464 -7.162 7.692) 10.521 14.659 ( -1.290 -7.662 -7.315) 10.671 16.335 ( 22.406 -0.619 1.403) 22.458 17.263 ( -29.779 -12.928 6.173) 33.046 17.998 ( 19.668 7.432 7.040) 22.172 18.758 ( -8.505 6.932 -0.497) 10.983 20.207 ( 7.500 1.960 18.930) 20.456 21.915 ( -18.848 -2.107 -24.791) 31.214 22.804 ( 9.539 -11.587 1.868) 15.124 23.299 ( -4.046 0.194 -6.857) 7.964 ======================= Grid point 394 (206/260) ======================= q-point: (-0.50 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( -9.115 4.359 2.944) 10.524 2.741 ( -2.542 4.613 -2.035) 5.646 3.089 ( 0.511 4.130 -16.291) 16.814 3.278 ( 1.299 9.643 -14.900) 17.795 3.823 ( 8.108 -16.895 11.410) 21.941 4.273 ( 4.598 -9.422 0.417) 10.492 4.398 ( -12.812 -10.230 5.978) 17.451 4.781 ( -6.475 -4.887 -7.533) 11.070 5.958 ( -1.549 -2.104 5.433) 6.029 6.095 ( 12.771 -0.430 0.772) 12.802 6.653 ( 0.122 2.683 5.880) 6.464 6.874 ( 2.898 7.384 3.604) 8.713 7.067 ( -14.557 8.030 1.077) 16.660 7.376 ( 2.199 5.868 -4.971) 7.999 7.866 ( 15.186 -6.281 8.196) 18.364 8.153 ( -7.768 -3.415 -6.286) 10.560 8.707 ( -2.742 8.843 10.650) 14.111 9.104 ( 3.756 15.705 -9.006) 18.490 9.330 ( 2.156 -1.560 8.356) 8.769 9.681 ( -5.453 9.162 -6.399) 12.435 11.483 ( -0.904 0.115 6.553) 6.616 11.603 ( 3.419 -14.591 1.277) 15.041 11.892 ( 5.904 1.486 4.310) 7.459 12.258 ( -10.576 -5.723 -10.628) 16.048 13.315 ( -11.120 16.435 3.606) 20.168 13.502 ( 8.961 18.302 -3.776) 20.725 14.216 ( -0.361 -7.622 10.005) 12.582 14.655 ( 2.321 -11.057 -11.385) 16.039 16.711 ( -21.891 -10.630 4.201) 24.695 16.873 ( 27.780 2.101 -1.861) 27.921 18.370 ( 8.372 8.167 5.054) 12.741 18.516 ( -6.063 13.345 -1.471) 14.732 20.458 ( 15.122 -6.253 24.829) 29.737 21.515 ( -19.105 -4.585 -27.134) 33.500 22.937 ( 2.168 -3.596 4.694) 6.298 23.214 ( -2.672 -3.346 -8.605) 9.611 ======================= Grid point 395 (207/260) ======================= q-point: (-0.40 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( -4.579 9.422 10.050) 14.517 2.757 ( 3.618 3.179 -0.430) 4.835 3.116 ( 1.845 3.936 -10.790) 11.633 3.349 ( 6.445 8.632 -14.876) 18.367 3.742 ( -12.537 -17.099 10.520) 23.669 4.190 ( -9.300 -5.381 -4.613) 11.693 4.418 ( 9.950 -5.617 2.388) 11.673 4.781 ( 4.559 -1.244 6.986) 8.434 5.917 ( -2.308 -4.510 0.335) 5.077 6.337 ( 9.370 1.715 -1.479) 9.639 6.552 ( -10.615 0.880 2.790) 11.010 6.749 ( -9.806 1.515 9.735) 13.901 6.996 ( 2.897 9.385 -4.041) 10.621 7.369 ( 0.462 7.981 -0.657) 8.022 8.046 ( -1.161 -10.921 -2.059) 11.174 8.230 ( 15.881 -3.654 1.216) 16.341 8.582 ( -7.378 7.156 10.716) 14.849 9.188 ( -1.243 10.974 -11.191) 15.723 9.354 ( 3.181 7.896 6.248) 10.559 9.590 ( -2.035 6.281 -1.961) 6.887 11.198 ( -15.314 3.482 -1.164) 15.748 11.900 ( 11.086 -10.065 18.651) 23.917 11.998 ( -0.026 -0.805 -7.876) 7.917 12.088 ( 0.426 -7.112 -5.342) 8.905 13.108 ( -7.841 14.576 0.244) 16.553 13.727 ( 12.119 18.305 -1.289) 21.991 14.169 ( -3.155 -10.699 8.261) 13.880 14.751 ( 6.344 -10.014 -9.716) 15.328 16.341 ( -12.997 -9.236 -0.632) 15.957 17.479 ( 28.688 2.684 -2.511) 28.922 18.134 ( -13.087 12.746 1.498) 18.330 18.749 ( 11.235 4.482 -0.846) 12.126 20.794 ( 15.038 -9.498 26.184) 31.654 21.137 ( -15.307 -3.495 -23.818) 28.527 22.860 ( -8.488 1.103 1.065) 8.625 23.228 ( 3.220 -4.127 -4.665) 7.011 ======================= Grid point 396 (208/260) ======================= q-point: (-0.30 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 2.882 13.813 17.960) 22.840 2.860 ( 5.150 2.289 0.221) 5.640 3.096 ( -4.787 1.811 2.893) 5.879 3.508 ( 1.713 -4.606 4.250) 6.497 3.585 ( 7.500 6.148 -14.710) 17.620 3.987 ( -8.288 1.880 -14.460) 16.772 4.636 ( 9.478 -5.249 9.601) 14.476 4.889 ( 5.000 2.010 14.082) 15.078 5.818 ( -9.658 4.359 4.447) 11.492 6.292 ( -12.183 2.271 0.897) 12.425 6.453 ( 1.774 4.951 -3.016) 6.063 6.637 ( 0.353 -12.231 -0.246) 12.238 6.973 ( -4.595 4.632 -2.507) 6.989 7.520 ( 12.844 7.436 -3.520) 15.253 7.975 ( -6.186 -10.103 5.227) 12.948 8.455 ( -3.143 2.244 9.870) 10.599 8.535 ( 10.386 -4.382 0.400) 11.280 9.008 ( -11.799 11.773 -9.935) 19.404 9.510 ( 9.286 8.287 -1.048) 12.490 9.584 ( 1.003 4.436 0.367) 4.563 10.915 ( -12.002 5.151 -2.235) 13.250 11.769 ( -14.180 0.281 -7.055) 15.840 12.071 ( 5.487 -4.975 15.277) 16.978 12.300 ( 11.615 -4.339 1.681) 12.512 13.027 ( 0.320 8.652 -2.045) 8.896 13.961 ( 9.967 15.081 -4.919) 18.734 14.136 ( -0.014 -12.227 8.705) 15.010 14.867 ( 4.304 -8.101 -6.620) 11.312 16.196 ( -0.652 -4.921 -6.482) 8.164 17.780 ( -2.161 3.445 4.548) 6.101 18.192 ( 21.315 4.015 -7.325) 22.894 18.840 ( -2.906 -5.514 -3.064) 6.945 20.762 ( -11.407 -1.121 -17.658) 21.051 21.204 ( 14.702 -6.546 28.235) 32.499 22.662 ( -9.131 0.887 -2.151) 9.423 23.296 ( 2.977 -0.383 -2.380) 3.831 ======================= Grid point 397 (209/260) ======================= q-point: (-0.20 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 7.753 14.155 19.994) 25.695 2.818 ( -9.350 2.037 12.057) 15.393 3.092 ( 6.029 2.147 2.522) 6.879 3.493 ( -2.015 1.000 -0.951) 2.442 3.873 ( 13.798 5.908 -11.247) 18.756 3.931 ( 6.502 11.493 -19.161) 23.271 4.788 ( 4.942 -3.762 13.720) 15.060 4.989 ( 4.388 4.066 17.424) 18.422 5.498 ( -19.704 14.911 11.560) 27.280 6.110 ( -5.678 3.832 1.550) 7.023 6.454 ( -0.090 2.617 -11.471) 11.766 6.717 ( 0.764 -15.205 2.747) 15.470 6.887 ( 1.438 -1.665 -11.241) 11.454 7.774 ( 8.113 -3.840 -0.175) 8.978 7.805 ( -8.535 0.344 10.779) 13.753 8.419 ( 0.592 -0.592 0.971) 1.283 8.601 ( -6.621 -2.878 -3.921) 8.215 8.851 ( -0.471 12.443 -6.161) 13.893 9.584 ( 0.968 0.093 3.384) 3.521 9.738 ( 10.963 5.890 -4.348) 13.183 10.702 ( -8.909 6.848 -1.204) 11.301 11.444 ( -16.332 1.857 -8.540) 18.523 12.187 ( 5.084 -0.897 15.263) 16.112 12.500 ( 8.140 0.288 1.546) 8.291 13.112 ( 7.465 2.081 -0.818) 7.793 14.100 ( 1.303 9.889 -2.934) 10.397 14.173 ( 5.205 -11.959 2.213) 13.229 14.896 ( -1.716 -9.352 -3.939) 10.292 16.303 ( 10.306 1.914 -8.861) 13.725 17.776 ( 2.706 4.413 -2.909) 5.938 18.454 ( -6.701 -20.756 -7.657) 23.116 18.778 ( 6.992 -2.013 -1.346) 7.400 20.602 ( -2.499 4.246 -7.784) 9.212 21.418 ( 2.290 -9.585 26.114) 27.912 22.571 ( 2.604 4.781 -1.844) 5.748 23.336 ( 0.695 2.579 -2.469) 3.637 ======================= Grid point 398 (210/260) ======================= q-point: (-0.10 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 1.848 9.540 17.564) 20.073 2.675 ( -0.156 7.580 15.320) 17.093 3.206 ( 3.181 -0.213 -0.060) 3.189 3.429 ( -2.907 11.171 -1.640) 11.659 4.116 ( 10.651 12.016 -15.403) 22.250 4.141 ( 9.033 3.949 -7.880) 12.621 4.859 ( 1.342 -2.250 14.468) 14.703 5.087 ( 2.352 7.706 10.848) 13.512 5.142 ( -8.538 14.289 21.570) 27.246 6.028 ( -3.746 7.195 4.417) 9.236 6.449 ( -0.963 -1.255 -14.212) 14.300 6.598 ( -6.100 -2.504 -5.523) 8.602 7.066 ( 10.906 -10.082 -5.513) 15.842 7.524 ( -16.859 -3.625 13.986) 22.203 7.938 ( 6.245 -7.800 -0.040) 9.992 8.414 ( -5.498 -4.407 -13.729) 15.432 8.508 ( 4.943 10.707 -1.678) 11.912 8.837 ( -3.175 8.246 -4.245) 9.803 9.626 ( 2.989 -2.766 7.399) 8.446 9.956 ( 9.665 0.342 -5.756) 11.254 10.546 ( -5.841 8.682 1.554) 10.579 11.130 ( -13.111 3.240 -11.699) 17.868 12.264 ( 1.555 1.752 17.781) 17.935 12.660 ( 8.008 6.141 -5.318) 11.407 13.309 ( 11.057 -2.937 2.528) 11.717 14.028 ( -6.716 6.889 -0.205) 9.623 14.329 ( 8.653 -13.646 -3.686) 16.573 14.798 ( -7.159 -11.314 -3.673) 13.883 16.558 ( 13.455 3.514 -3.441) 14.326 17.625 ( -23.695 1.458 -15.216) 28.198 18.367 ( 9.213 -20.560 4.293) 22.935 18.901 ( -0.303 -3.945 -4.753) 6.185 20.708 ( 13.773 -1.203 1.245) 13.881 21.287 ( -13.862 -11.923 16.456) 24.599 22.770 ( 14.339 10.366 1.340) 17.744 23.314 ( -2.946 4.291 -3.894) 6.500 ======================= Grid point 399 (211/260) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( 1.273 8.300 15.550) 17.672 2.894 ( 5.033 1.918 15.023) 15.959 3.192 ( -4.506 1.735 -2.145) 5.284 3.666 ( 0.514 11.515 -0.247) 11.529 4.199 ( -7.317 5.536 1.410) 9.283 4.509 ( 4.510 5.127 -20.926) 22.012 4.835 ( -3.862 6.722 19.549) 21.030 5.391 ( 5.727 11.822 5.516) 14.248 5.452 ( 12.317 10.209 11.508) 19.707 5.976 ( -10.219 2.795 12.004) 16.011 6.319 ( -7.320 -5.266 -10.606) 13.921 6.602 ( 8.965 -1.870 -11.990) 15.087 6.993 ( -18.226 -5.092 10.186) 21.491 7.145 ( 6.873 -6.907 6.421) 11.670 7.945 ( 4.995 -2.369 -7.055) 8.963 8.264 ( 7.028 -7.740 -17.259) 20.178 8.857 ( -9.786 7.815 -1.048) 12.568 8.909 ( 7.281 14.543 -3.640) 16.666 9.608 ( 1.060 -3.095 8.504) 9.112 9.943 ( -2.680 -7.658 -9.595) 12.565 10.672 ( -2.435 7.536 7.326) 10.789 11.033 ( 0.666 4.070 -10.240) 11.039 12.393 ( 1.292 7.054 17.781) 19.172 12.977 ( 7.326 7.053 -9.933) 14.216 13.375 ( 7.606 -9.958 10.753) 16.512 13.970 ( -10.298 5.952 -3.278) 12.338 14.172 ( 4.378 -15.358 -6.996) 17.435 14.504 ( -0.944 -4.859 -8.669) 9.982 16.599 ( -17.883 -7.898 18.511) 26.923 17.192 ( -2.094 7.388 -12.244) 14.453 18.517 ( 8.154 -5.635 -3.110) 10.388 18.564 ( -7.049 -12.398 -5.892) 15.431 20.843 ( -10.190 -3.155 8.108) 13.399 20.948 ( 16.120 -6.739 2.769) 17.690 23.214 ( 12.011 4.551 -0.396) 12.850 23.299 ( -7.547 4.585 -4.909) 10.104 ======================= Grid point 400 (212/260) ======================= q-point: ( 0.10 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( 5.904 8.849 14.300) 17.823 3.001 ( 4.497 -0.746 14.101) 14.820 3.107 ( -2.965 -0.701 -3.856) 4.914 3.601 ( -7.045 16.998 5.080) 19.089 3.987 ( -11.120 8.349 -5.589) 14.987 4.337 ( -15.349 7.391 -10.454) 19.988 4.943 ( 8.197 -4.790 5.031) 10.745 5.540 ( 5.255 1.990 8.035) 9.805 5.675 ( 0.092 6.125 5.851) 8.471 5.834 ( 6.820 8.824 11.954) 16.348 6.144 ( -9.362 -8.367 -3.043) 12.920 6.580 ( -16.097 -0.257 2.775) 16.337 6.812 ( 9.758 -0.705 -11.909) 15.412 7.356 ( 10.747 -1.866 12.230) 16.388 7.961 ( -1.730 -2.154 -7.168) 7.682 8.512 ( 7.197 -3.363 -13.663) 15.805 8.683 ( 0.629 4.348 -4.236) 6.103 9.014 ( 2.128 14.737 -2.395) 15.082 9.613 ( -0.867 -2.194 9.562) 9.849 9.830 ( -6.738 -8.218 -10.650) 15.045 10.645 ( -0.359 2.213 5.403) 5.850 11.142 ( 8.692 4.645 -5.085) 11.090 12.404 ( -0.818 8.372 13.150) 15.611 13.041 ( -1.056 4.918 -14.936) 15.760 13.516 ( 4.783 -4.811 8.387) 10.787 13.748 ( -8.311 4.738 -8.759) 12.970 14.310 ( 7.723 -16.367 3.430) 18.419 14.529 ( 3.155 -0.039 -10.797) 11.248 16.135 ( -22.822 -4.345 21.048) 31.349 17.285 ( 6.620 7.198 2.399) 10.069 18.202 ( -14.196 -20.662 -6.521) 25.903 18.746 ( 2.756 -0.947 -1.094) 3.113 20.668 ( -7.192 5.392 6.154) 10.894 21.355 ( 22.258 -14.407 -1.776) 26.574 23.082 ( -13.337 4.380 -8.504) 16.413 23.386 ( 4.869 3.067 -1.448) 5.934 ======================= Grid point 401 (213/260) ======================= q-point: ( 0.20 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.940 ( 8.927 6.848 9.203) 14.536 3.018 ( -2.329 -3.661 10.122) 11.013 3.117 ( 1.519 3.852 0.569) 4.180 3.428 ( -7.603 15.964 7.889) 19.362 3.765 ( -10.239 4.135 -12.181) 16.442 4.022 ( -13.583 8.873 -10.202) 19.165 5.001 ( -3.966 -15.771 -5.388) 17.132 5.422 ( -14.223 -6.263 1.741) 15.639 5.688 ( 4.336 2.162 11.232) 12.232 5.951 ( -7.982 -6.698 2.077) 10.625 6.176 ( 19.132 13.359 14.103) 27.265 6.423 ( 2.003 5.159 -3.946) 6.797 7.008 ( 9.513 -1.981 -7.566) 12.316 7.546 ( 4.879 1.925 11.175) 12.345 7.870 ( -6.330 2.362 -4.133) 7.920 8.470 ( -0.468 -0.800 1.199) 1.515 8.934 ( 13.982 3.853 -13.661) 19.924 8.960 ( -7.968 8.533 -1.772) 11.808 9.578 ( -3.387 2.495 8.525) 9.506 9.731 ( -0.767 -6.791 -10.873) 12.843 10.665 ( 2.364 -1.308 3.841) 4.696 11.330 ( 8.789 -0.629 0.809) 8.849 12.353 ( -4.774 7.505 8.455) 12.271 12.945 ( -7.176 2.889 -15.927) 17.706 13.517 ( -2.727 6.621 -14.864) 16.498 13.718 ( 4.043 1.937 10.190) 11.132 14.421 ( 1.152 -11.581 9.020) 14.724 14.585 ( 0.728 2.997 -12.518) 12.892 15.798 ( -7.697 -3.923 15.116) 17.411 17.435 ( 9.291 4.146 13.042) 16.541 17.952 ( -12.841 -21.191 -1.380) 24.816 18.732 ( -0.921 0.898 -1.570) 2.030 20.532 ( -6.847 10.317 6.890) 14.170 21.810 ( 21.227 -16.650 -5.075) 27.451 22.755 ( -17.895 3.082 -12.025) 21.779 23.428 ( -0.336 1.571 -2.300) 2.805 ======================= Grid point 402 (214/260) ======================= q-point: ( 0.30 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.934 ( -6.377 2.200 3.556) 7.626 3.057 ( -5.502 12.454 9.980) 16.881 3.139 ( 8.257 -1.538 8.755) 12.132 3.352 ( -1.669 5.191 -8.975) 10.501 3.573 ( -7.371 1.967 -10.789) 13.214 3.833 ( -2.894 4.015 -8.297) 9.661 4.788 ( -15.262 -20.221 -4.426) 25.718 5.104 ( -15.243 -10.093 -6.077) 19.265 5.755 ( 1.566 1.026 4.100) 4.507 5.904 ( 3.559 -0.831 11.119) 11.704 6.522 ( 12.324 12.192 16.766) 24.117 6.631 ( 16.791 5.938 -8.973) 19.942 7.198 ( 8.546 -3.561 1.487) 9.376 7.472 ( -8.917 0.588 -0.077) 8.937 7.761 ( -5.869 4.146 0.305) 7.192 8.583 ( 10.350 3.619 8.034) 13.593 8.706 ( -15.258 2.822 -3.663) 15.943 9.168 ( 9.116 7.552 -10.015) 15.506 9.470 ( -6.641 4.054 7.579) 10.861 9.786 ( 4.534 -1.832 -10.320) 11.421 10.757 ( 6.919 -5.623 4.424) 9.953 11.489 ( 6.649 -4.739 4.951) 9.549 12.212 ( -8.819 7.388 5.451) 12.730 12.739 ( -12.483 -0.761 -15.386) 19.827 13.498 ( 1.610 8.848 -12.484) 15.386 13.826 ( 5.210 7.281 9.023) 12.711 14.308 ( -11.501 2.378 9.511) 15.112 14.551 ( -2.228 -6.407 -11.777) 13.591 15.882 ( 14.182 -5.225 2.259) 15.282 17.569 ( -22.173 -14.203 10.181) 28.232 17.733 ( 16.855 5.224 13.722) 22.353 18.779 ( 4.920 -0.894 -3.470) 6.086 20.382 ( -7.719 10.154 9.992) 16.202 22.165 ( 6.695 -12.464 -19.430) 24.035 22.396 ( -9.589 -1.868 -1.171) 9.839 23.388 ( -3.161 0.612 -3.645) 4.864 ======================= Grid point 403 (215/260) ======================= q-point: ( 0.40 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( -10.160 7.315 6.431) 14.075 2.951 ( -5.222 8.194 5.515) 11.173 3.184 ( -2.675 -0.666 -8.082) 8.539 3.401 ( 6.531 -3.643 -1.090) 7.558 3.468 ( -2.582 6.371 -8.708) 11.095 3.899 ( 7.535 -8.819 -4.620) 12.486 4.450 ( -15.720 -15.799 0.373) 22.290 4.815 ( -12.329 -11.486 -12.791) 21.155 5.849 ( 8.424 0.036 0.297) 8.430 5.983 ( 1.711 1.671 10.829) 11.090 6.711 ( 4.383 8.663 14.792) 17.694 6.923 ( 8.427 7.231 -1.852) 11.257 7.301 ( 5.262 -6.015 5.213) 9.541 7.432 ( 2.510 5.575 -7.036) 9.321 7.596 ( -5.987 2.028 2.057) 6.647 8.363 ( -16.681 -3.246 -7.191) 18.453 8.831 ( 10.578 10.271 12.606) 19.398 9.291 ( 0.573 3.712 3.961) 5.458 9.356 ( -0.891 10.205 -3.452) 10.810 9.848 ( 0.955 1.637 -10.595) 10.763 10.967 ( 13.504 -9.731 6.801) 17.981 11.605 ( 3.926 -5.099 6.185) 8.926 12.016 ( -9.547 8.255 2.721) 12.911 12.444 ( -14.909 -4.034 -13.169) 20.297 13.561 ( 4.364 6.712 -4.571) 9.220 13.835 ( -7.800 12.290 11.723) 18.690 14.149 ( 0.526 2.848 -1.461) 3.244 14.486 ( -3.605 -9.379 -10.598) 14.604 16.305 ( 25.803 -2.303 -4.902) 26.365 17.038 ( -27.206 -9.964 10.940) 30.970 18.157 ( 21.413 8.516 12.581) 26.255 18.853 ( 0.284 2.922 -2.437) 3.815 20.263 ( -2.662 3.599 16.413) 17.012 21.858 ( -21.010 -3.601 -27.916) 35.124 22.592 ( 14.175 -9.696 5.937) 18.172 23.300 ( -5.372 -0.035 -5.906) 7.984 ======================= Grid point 404 (216/260) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( -7.642 8.083 7.625) 13.487 2.865 ( -2.487 7.923 4.394) 9.395 3.163 ( 1.538 2.154 -8.814) 9.203 3.432 ( -1.021 3.683 -4.526) 5.924 3.508 ( 1.956 -11.721 2.701) 12.187 4.060 ( 6.385 -12.325 -7.054) 15.571 4.220 ( -4.773 -6.984 0.368) 8.467 4.624 ( -4.496 -11.185 -12.403) 17.296 5.935 ( -4.705 -0.185 5.510) 7.248 6.100 ( 13.583 0.721 -1.617) 13.698 6.701 ( -3.943 2.478 12.876) 13.692 6.992 ( -2.179 4.756 12.189) 13.264 7.271 ( -8.652 11.587 -3.663) 14.918 7.472 ( 5.590 4.083 -4.686) 8.359 7.751 ( 14.089 -4.929 3.148) 15.255 8.061 ( -10.372 -5.872 -9.595) 15.301 8.901 ( -5.286 10.349 13.695) 17.961 9.303 ( 4.083 -1.347 13.573) 14.238 9.416 ( 3.743 15.750 -12.074) 20.196 9.812 ( -3.733 4.067 -10.111) 11.520 11.298 ( 17.303 -12.014 10.214) 23.411 11.566 ( -9.245 3.695 -2.210) 10.198 11.923 ( 2.643 1.405 5.584) 6.336 12.159 ( -11.990 -4.798 -9.390) 15.968 13.573 ( -9.701 9.614 5.980) 14.910 13.713 ( 4.652 3.210 3.324) 6.557 14.195 ( -0.823 5.871 0.521) 5.951 14.454 ( 3.185 -8.820 -12.612) 15.716 16.517 ( -22.122 -8.961 7.557) 25.036 16.901 ( 30.978 0.721 -8.797) 32.211 18.527 ( 9.571 7.710 8.268) 14.812 18.764 ( -5.221 11.699 -2.568) 13.067 20.332 ( 8.931 -6.416 25.493) 27.764 21.427 ( -19.429 -4.328 -27.304) 33.789 22.854 ( 10.342 -4.534 5.620) 12.614 23.165 ( -6.999 -1.761 -8.729) 11.326 ======================= Grid point 405 (217/260) ======================= q-point: (-0.40 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( -1.144 9.595 11.331) 14.892 2.867 ( 2.368 7.426 6.865) 10.386 3.231 ( 2.936 7.303 -7.873) 11.133 3.347 ( -5.213 -15.351 15.707) 22.573 3.571 ( 6.541 6.423 -14.340) 17.020 4.069 ( -3.830 -6.489 -5.979) 9.619 4.298 ( 9.729 -6.219 -7.701) 13.880 4.662 ( 7.485 -11.276 -1.284) 13.595 5.832 ( -3.684 -3.487 0.322) 5.083 6.352 ( 8.571 0.897 -3.374) 9.255 6.581 ( -8.217 1.578 6.882) 10.834 6.816 ( -11.679 3.763 17.629) 21.479 7.198 ( -2.980 11.154 -6.568) 13.283 7.494 ( 1.456 4.443 0.164) 4.679 7.878 ( -1.666 -5.907 -0.912) 6.204 8.147 ( 15.874 -4.738 -3.608) 16.954 8.715 ( -11.451 5.878 14.621) 19.479 9.347 ( -2.228 5.575 -0.009) 6.004 9.501 ( 4.364 6.672 -2.396) 8.325 9.736 ( -1.797 8.624 -7.341) 11.467 11.279 ( -13.670 4.762 -8.312) 16.692 11.672 ( 13.894 -11.007 12.079) 21.451 11.948 ( -6.851 -3.322 -3.402) 8.339 12.069 ( 9.226 1.197 4.507) 10.338 13.354 ( -10.053 10.543 2.312) 14.750 13.852 ( 5.985 -6.612 10.486) 13.766 14.131 ( -2.190 8.458 -3.179) 9.297 14.588 ( 7.847 -6.556 -9.149) 13.721 16.175 ( -9.933 -7.417 -0.813) 12.423 17.523 ( 27.633 1.855 -11.207) 29.877 18.377 ( -13.848 12.019 3.700) 18.706 18.823 ( 1.865 2.724 -1.931) 3.824 20.606 ( 15.139 -9.283 29.893) 34.770 21.081 ( -12.226 -2.261 -20.615) 24.074 22.882 ( -8.996 1.238 -5.061) 10.396 23.144 ( 6.783 -4.323 -1.356) 8.157 ======================= Grid point 406 (218/260) ======================= q-point: (-0.30 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 4.484 10.587 15.190) 19.050 2.931 ( 1.204 3.155 8.810) 9.435 3.134 ( -4.598 1.312 13.981) 14.776 3.434 ( 7.956 1.145 -6.462) 10.313 3.771 ( 11.290 9.190 -8.273) 16.744 3.996 ( 0.003 0.880 -14.895) 14.921 4.517 ( 10.520 -6.510 -2.481) 12.618 4.854 ( 9.666 -6.865 7.569) 14.066 5.817 ( 1.669 -3.556 -0.550) 3.966 6.341 ( -10.929 2.935 3.889) 11.966 6.417 ( -4.857 -4.205 -5.069) 8.184 6.638 ( -5.227 6.548 10.435) 13.382 7.059 ( -8.614 4.112 -3.017) 10.010 7.647 ( 9.295 5.768 -3.933) 11.624 7.831 ( -1.479 -4.811 7.326) 8.888 8.437 ( 9.110 -3.768 2.844) 10.261 8.484 ( -9.010 -0.743 7.914) 12.015 9.227 ( -7.366 10.644 -8.774) 15.638 9.561 ( 1.454 -0.519 1.422) 2.099 9.759 ( 3.340 10.373 -4.468) 11.778 11.022 ( -10.530 5.627 -9.184) 15.063 11.665 ( -10.577 -7.784 -5.866) 14.383 12.037 ( 10.457 -1.188 19.547) 22.200 12.294 ( 12.059 2.854 2.563) 12.654 13.189 ( -5.424 8.009 -0.136) 9.673 13.908 ( 0.419 -10.826 9.644) 14.505 14.175 ( 5.067 7.492 -2.669) 9.430 14.704 ( 2.712 -8.913 -5.126) 10.633 16.152 ( 8.078 0.605 -11.162) 13.792 17.810 ( -3.005 -0.002 -0.888) 3.133 18.298 ( 8.328 6.743 -9.828) 14.539 18.716 ( -9.564 -7.212 -2.531) 12.243 20.770 ( -2.837 1.865 -3.921) 5.186 21.065 ( 11.480 -7.518 23.677) 27.366 22.671 ( -8.472 0.097 -8.950) 12.324 23.290 ( 6.272 -0.225 0.162) 6.278 ======================= Grid point 407 (219/260) ======================= q-point: (-0.20 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 6.001 9.191 15.467) 18.966 2.847 ( -6.556 -0.113 16.121) 17.404 3.189 ( 5.914 9.055 8.247) 13.601 3.565 ( 3.813 6.230 -8.804) 11.440 3.901 ( 6.463 -2.269 -3.575) 7.726 4.204 ( 15.671 15.178 -15.946) 27.023 4.701 ( 7.418 -4.196 2.376) 8.848 5.038 ( 7.991 -0.294 13.006) 15.268 5.774 ( -10.225 12.027 7.286) 17.386 6.139 ( -4.182 0.990 -4.840) 6.473 6.393 ( 3.362 -15.280 4.698) 16.336 6.553 ( -4.254 5.363 -3.889) 7.873 6.899 ( -5.564 0.912 -5.163) 7.645 7.658 ( -4.820 -3.004 7.829) 9.672 7.856 ( -3.570 0.296 5.673) 6.710 8.383 ( 2.482 -2.743 -4.844) 6.095 8.538 ( 0.276 -2.868 1.811) 3.403 9.116 ( -2.871 13.910 -6.174) 15.486 9.570 ( -0.177 -1.869 0.330) 1.906 9.841 ( 4.509 4.533 -4.299) 7.705 10.848 ( -6.339 7.902 -5.879) 11.712 11.402 ( -13.896 -4.828 -6.116) 15.932 12.225 ( 6.985 2.803 20.598) 21.930 12.543 ( 11.890 4.490 1.330) 12.779 13.146 ( 1.240 1.615 -0.100) 2.039 13.938 ( 2.656 -10.942 8.038) 13.834 14.252 ( 1.578 5.077 -5.929) 7.963 14.687 ( -3.748 -11.697 -4.685) 13.146 16.429 ( 15.740 11.159 -14.059) 23.873 17.755 ( 3.996 -9.974 6.299) 12.456 18.126 ( -24.013 -9.121 -17.993) 31.362 18.755 ( 9.106 -0.836 -2.326) 9.435 20.700 ( -2.117 5.624 -1.779) 6.267 21.220 ( -0.895 -10.325 23.291) 25.492 22.640 ( 7.318 2.413 -4.893) 9.128 23.385 ( 2.795 2.393 -0.879) 3.782 ======================= Grid point 408 (220/260) ======================= q-point: (-0.10 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( -1.488 6.505 12.704) 14.350 2.793 ( 3.396 3.703 19.545) 20.180 3.257 ( -0.587 6.608 0.918) 6.698 3.617 ( 2.994 7.933 -3.491) 9.170 4.123 ( 12.707 -2.021 -2.761) 13.160 4.417 ( 3.913 13.242 -12.395) 18.555 4.846 ( 5.861 2.095 9.251) 11.151 5.212 ( 9.441 5.323 9.760) 14.585 5.481 ( -13.622 19.683 10.318) 26.066 6.112 ( -2.220 1.900 7.703) 8.238 6.449 ( -5.199 -0.603 -12.729) 13.763 6.480 ( 3.313 -9.603 -3.127) 10.629 6.909 ( 7.450 -5.452 -2.018) 9.449 7.446 ( -17.745 -3.634 15.690) 23.964 7.804 ( 4.101 -5.565 -5.041) 8.556 8.312 ( -7.315 -5.780 -13.006) 16.003 8.695 ( 12.101 7.824 -1.721) 14.512 9.039 ( -6.124 12.169 -1.792) 13.741 9.578 ( 1.153 -2.137 3.352) 4.139 9.929 ( 3.588 -3.022 -6.498) 8.015 10.742 ( -4.321 11.036 0.924) 11.887 11.139 ( -10.112 -1.986 -8.046) 13.074 12.338 ( 3.647 5.049 19.946) 20.896 12.781 ( 11.121 6.301 -2.969) 13.122 13.227 ( 6.046 -5.468 3.945) 9.056 14.012 ( 3.550 -10.620 11.725) 16.213 14.217 ( -4.627 4.303 -16.345) 17.524 14.579 ( -5.544 -10.601 -7.158) 13.941 16.670 ( 6.904 8.346 -0.927) 10.871 17.551 ( -27.363 -10.679 -12.839) 32.057 18.066 ( 22.868 -8.561 -1.075) 24.442 18.809 ( -5.412 -5.313 -4.603) 8.872 20.723 ( 5.434 2.245 3.540) 6.863 21.072 ( -11.346 -9.867 13.213) 20.017 22.912 ( 16.230 4.734 -0.187) 16.907 23.396 ( -1.915 3.931 -2.437) 5.006 ======================= Grid point 409 (221/260) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( 2.719 4.662 15.702) 16.604 2.886 ( 3.471 -2.090 18.239) 18.684 3.247 ( -8.365 2.447 -6.001) 10.581 3.797 ( 2.873 2.775 -2.010) 4.471 4.265 ( 2.707 1.814 4.059) 5.206 4.567 ( -1.820 1.067 -20.040) 20.150 4.980 ( -3.532 5.516 25.131) 25.971 5.616 ( 15.229 5.947 -5.522) 17.256 5.633 ( -5.854 11.101 9.038) 15.466 6.018 ( -9.586 1.363 15.526) 18.298 6.141 ( -9.464 -10.474 -6.323) 15.468 6.555 ( 11.005 -2.223 -7.746) 13.640 6.953 ( -10.754 0.826 6.449) 12.566 7.018 ( 3.599 -5.565 8.680) 10.921 7.968 ( 2.461 4.367 -13.782) 14.665 8.110 ( 11.090 -7.766 -18.741) 23.120 8.984 ( -12.999 4.312 3.783) 14.208 9.125 ( 12.813 6.095 -2.059) 14.338 9.605 ( -0.245 3.869 0.921) 3.985 9.776 ( -5.292 -9.112 -6.481) 12.371 10.780 ( -7.093 3.235 8.109) 11.249 11.090 ( 4.415 1.622 -6.598) 8.103 12.505 ( 2.200 3.768 16.884) 17.439 13.072 ( 6.784 2.597 -8.601) 11.258 13.206 ( 7.858 -5.802 13.069) 16.316 13.927 ( 4.611 -6.315 6.774) 10.345 14.088 ( -12.897 2.747 -20.982) 24.782 14.450 ( 3.285 -1.219 -10.415) 10.988 16.482 ( -20.557 -3.501 24.544) 32.207 17.317 ( 4.445 4.416 -16.861) 17.987 18.338 ( -24.512 -7.253 -2.632) 25.698 18.462 ( 21.279 -1.897 -7.263) 22.564 20.813 ( -3.598 -0.407 6.545) 7.480 20.866 ( 9.011 -2.124 3.929) 10.057 23.262 ( 11.239 1.037 0.574) 11.302 23.362 ( -7.340 1.741 -5.036) 9.071 ======================= Grid point 410 (222/260) ======================= q-point: ( 0.10 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( 4.374 4.289 18.604) 19.587 2.964 ( 3.252 -2.067 15.098) 15.582 3.115 ( -3.298 0.519 -7.310) 8.036 3.789 ( -3.597 3.605 -3.610) 6.242 4.192 ( -8.844 9.828 2.077) 13.384 4.443 ( -10.525 2.224 -11.888) 16.032 4.860 ( -7.335 -2.539 7.766) 10.980 5.591 ( -2.290 3.533 12.716) 13.395 5.681 ( -11.723 -4.730 5.580) 13.818 5.946 ( 6.122 -0.586 -5.818) 8.465 6.067 ( 4.648 3.591 13.107) 14.363 6.616 ( -11.288 2.923 -1.708) 11.785 6.758 ( 7.986 -4.105 -6.597) 11.142 7.326 ( 16.436 -0.873 11.386) 20.013 7.933 ( -0.845 -0.711 -12.615) 12.663 8.460 ( 11.920 -1.628 -18.392) 21.978 8.748 ( -3.866 1.985 0.768) 4.413 9.304 ( 1.826 14.387 -3.633) 14.951 9.548 ( -3.060 -6.457 1.826) 7.375 9.672 ( -3.694 -5.846 -1.600) 7.098 10.689 ( -2.519 1.704 7.406) 8.006 11.189 ( 5.130 0.759 -2.603) 5.803 12.520 ( -1.299 3.278 12.867) 13.341 13.105 ( -2.476 1.770 -15.078) 15.383 13.475 ( 15.705 0.285 13.623) 20.792 13.828 ( -10.484 2.531 -18.396) 21.325 14.034 ( 5.621 -9.608 4.313) 11.938 14.544 ( 6.079 0.659 -11.965) 13.437 16.083 ( -18.886 -1.236 28.278) 34.027 17.433 ( 5.358 7.356 -6.008) 10.905 17.854 ( -18.738 -13.361 -1.982) 23.098 18.733 ( 5.133 -0.431 -3.284) 6.109 20.759 ( -2.607 3.288 5.108) 6.611 21.156 ( 18.541 -5.943 -0.765) 19.486 23.141 ( -13.868 1.675 -8.666) 16.439 23.417 ( 3.933 0.539 0.003) 3.970 ======================= Grid point 411 (223/260) ======================= q-point: ( 0.20 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.958 ( -0.396 -1.311 18.657) 18.707 3.040 ( 4.620 2.387 3.763) 6.419 3.133 ( 4.056 -0.262 -2.910) 4.999 3.657 ( -8.766 4.393 -1.052) 9.861 3.946 ( -14.126 13.327 1.663) 19.491 4.176 ( -13.722 5.277 -5.845) 15.821 4.681 ( -10.330 -14.361 -8.069) 19.443 5.281 ( -18.042 -5.971 -3.001) 19.240 5.734 ( 6.640 1.843 19.234) 20.431 5.876 ( -6.212 -1.654 0.710) 6.468 6.361 ( 16.758 4.441 -1.962) 17.447 6.530 ( 4.040 5.649 7.965) 10.568 6.939 ( 9.169 -4.034 -3.075) 10.478 7.574 ( 4.009 0.878 7.741) 8.761 7.909 ( -1.896 1.350 -9.207) 9.497 8.444 ( -0.283 -1.131 2.670) 2.913 8.984 ( 15.558 1.300 -13.135) 20.403 9.131 ( -13.697 7.067 -8.407) 17.556 9.598 ( 3.183 -5.635 -5.135) 8.261 9.612 ( -0.588 0.916 10.053) 10.111 10.664 ( -0.191 0.536 5.309) 5.339 11.295 ( 5.229 -1.801 2.289) 5.986 12.459 ( -4.801 3.160 8.995) 10.674 12.975 ( -9.712 0.401 -16.393) 19.058 13.651 ( -3.673 4.651 -17.136) 18.132 13.802 ( 12.024 7.374 9.345) 16.920 14.153 ( 5.448 -13.172 4.182) 14.855 14.651 ( 2.044 2.065 -12.375) 12.712 15.758 ( -10.657 -0.605 20.885) 23.455 17.508 ( 4.539 3.915 8.629) 10.507 17.639 ( -5.325 -10.934 1.879) 12.306 18.743 ( -1.275 0.266 -2.827) 3.112 20.681 ( -5.585 4.571 6.043) 9.413 21.576 ( 21.213 -6.875 -3.909) 22.639 22.795 ( -19.240 1.075 -12.416) 22.923 23.442 ( -0.961 0.224 -0.828) 1.288 ======================= Grid point 412 (224/260) ======================= q-point: ( 0.30 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( -2.392 -0.338 12.803) 13.029 3.117 ( 1.715 -0.545 4.249) 4.614 3.226 ( 4.000 2.884 -4.027) 6.367 3.459 ( -9.195 3.479 4.435) 10.785 3.668 ( -11.572 10.656 -3.726) 16.166 3.908 ( -11.585 -1.048 -4.549) 12.490 4.454 ( -10.559 -10.911 -12.430) 19.623 4.917 ( -16.976 -7.272 -9.630) 20.828 5.775 ( -0.594 0.688 -0.858) 1.250 5.904 ( 6.990 0.357 17.003) 18.387 6.697 ( 16.137 2.880 -5.209) 17.200 6.740 ( 13.619 7.112 13.361) 20.361 7.093 ( 3.481 -5.541 8.579) 10.789 7.488 ( -6.653 0.710 -5.250) 8.505 7.836 ( -5.690 2.695 -4.259) 7.601 8.558 ( 2.746 -2.006 -0.158) 3.404 8.815 ( -7.721 4.142 6.012) 10.626 9.303 ( 12.935 5.408 -18.543) 23.246 9.506 ( -6.365 -0.237 9.036) 11.056 9.740 ( 6.514 -1.974 -3.145) 7.498 10.694 ( 3.453 -1.320 5.899) 6.961 11.408 ( 5.793 -2.689 5.808) 8.632 12.337 ( -7.143 4.418 5.798) 10.206 12.704 ( -15.794 -1.946 -15.572) 22.265 13.604 ( -0.365 2.357 -10.546) 10.812 14.011 ( 7.690 11.210 5.677) 14.732 14.235 ( 1.509 -9.100 5.973) 10.989 14.515 ( -13.216 1.124 -11.864) 17.795 15.802 ( 14.727 -2.482 1.046) 14.971 17.372 ( -18.253 -5.575 10.964) 22.010 17.812 ( 20.143 2.423 17.442) 26.755 18.766 ( 4.187 -0.433 -5.530) 6.950 20.527 ( -9.524 4.304 8.887) 13.719 21.970 ( 14.145 -6.010 -12.308) 19.689 22.385 ( -17.067 -0.137 -7.257) 18.546 23.394 ( -3.473 0.087 -2.772) 4.444 ======================= Grid point 413 (225/260) ======================= q-point: ( 0.40 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( -5.588 3.484 11.010) 12.829 3.084 ( -4.174 -3.231 2.147) 5.698 3.183 ( -7.794 10.450 13.004) 18.413 3.413 ( 4.545 -2.927 -6.748) 8.646 3.498 ( -6.004 2.819 -1.851) 6.887 3.750 ( -1.740 -7.998 -11.680) 14.263 4.273 ( -6.321 -1.399 -11.134) 12.879 4.597 ( -13.188 -9.120 -14.555) 21.655 5.858 ( 8.778 0.512 -1.631) 8.943 6.008 ( 1.389 0.741 12.028) 12.131 6.881 ( -3.372 8.452 17.815) 20.004 7.010 ( 5.468 0.977 7.289) 9.164 7.154 ( 15.895 -6.930 2.552) 17.527 7.502 ( 6.123 1.762 -11.342) 13.009 7.672 ( -9.118 3.457 -1.825) 9.921 8.297 ( -18.263 -2.541 -9.660) 20.816 8.983 ( 12.867 4.541 15.104) 20.355 9.326 ( -8.981 0.789 13.311) 16.076 9.547 ( 9.245 7.386 -16.382) 20.209 9.831 ( 1.696 -2.509 -8.228) 8.767 10.837 ( 10.766 -3.544 10.144) 15.211 11.539 ( 6.646 -1.750 6.213) 9.264 12.170 ( -9.619 7.147 1.580) 12.087 12.347 ( -17.224 -5.586 -11.445) 21.420 13.617 ( 1.507 0.709 -2.994) 3.426 14.017 ( -12.015 5.512 14.743) 19.801 14.230 ( 4.080 4.013 -6.547) 8.696 14.339 ( -2.108 -5.405 -13.010) 14.245 16.265 ( 28.455 -1.371 -9.394) 29.997 16.903 ( -25.858 -3.727 13.591) 29.449 18.287 ( 22.834 4.135 17.020) 28.778 18.878 ( 5.399 0.174 -4.647) 7.125 20.323 ( -9.404 2.014 15.051) 17.861 21.797 ( -21.143 -2.102 -30.298) 37.006 22.461 ( 15.841 -3.631 9.445) 18.797 23.299 ( -5.785 -0.023 -5.971) 8.314 ======================= Grid point 414 (226/260) ======================= q-point: (-0.50 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -5.406 9.122 12.195) 16.160 3.016 ( -2.820 5.727 5.497) 8.425 3.051 ( -3.084 -10.072 13.402) 17.046 3.366 ( -5.263 -2.298 4.823) 7.500 3.551 ( 8.042 6.386 -11.690) 15.559 3.828 ( 7.755 -10.720 -14.677) 19.761 4.193 ( -1.301 4.361 -9.300) 10.353 4.393 ( -5.504 -11.481 -16.078) 20.509 5.942 ( -6.878 0.476 5.454) 8.791 6.113 ( 14.490 0.405 -2.740) 14.752 6.739 ( -7.016 1.207 18.013) 19.368 7.054 ( -4.319 1.652 14.546) 15.263 7.414 ( 0.538 2.144 4.522) 5.034 7.572 ( 4.187 6.892 -7.559) 11.053 7.688 ( 12.977 -2.460 -6.209) 14.595 7.949 ( -12.779 -4.639 -11.966) 18.111 9.066 ( -10.569 5.836 16.540) 20.478 9.267 ( 7.723 -2.075 14.323) 16.404 9.678 ( 1.756 11.032 -12.926) 17.084 9.821 ( 0.056 -3.412 -12.721) 13.171 11.134 ( 16.882 -4.619 13.621) 22.178 11.633 ( -2.060 2.453 -6.614) 7.349 11.949 ( -6.237 1.309 3.069) 7.073 12.076 ( -9.155 -3.347 -1.742) 9.902 13.653 ( 0.820 0.258 4.999) 5.073 13.744 ( -11.269 1.311 5.132) 12.452 14.305 ( -1.224 1.752 -6.112) 6.475 14.362 ( 7.076 0.225 -8.210) 10.840 16.393 ( -22.314 -3.548 9.058) 24.342 16.906 ( 33.008 0.016 -13.436) 35.638 18.638 ( 7.648 3.253 10.186) 13.146 18.930 ( -0.731 4.850 -3.784) 6.194 20.237 ( 2.761 -2.964 26.560) 26.867 21.365 ( -18.620 -1.806 -27.450) 33.219 22.787 ( 14.837 -2.033 7.155) 16.597 23.144 ( -9.156 -0.502 -9.660) 13.319 ======================= Grid point 415 (227/260) ======================= q-point: (-0.40 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( -0.946 11.224 14.543) 18.395 2.939 ( -3.849 -6.459 15.151) 16.914 3.099 ( 5.279 -3.006 6.699) 9.043 3.329 ( 2.598 1.696 1.742) 3.558 3.733 ( 9.032 7.795 -6.704) 13.685 3.977 ( 5.674 -2.752 -12.931) 14.387 4.224 ( 6.194 0.126 -15.743) 16.918 4.400 ( 6.704 -13.404 -7.589) 16.799 5.794 ( -5.773 -0.744 1.271) 5.958 6.376 ( 8.220 1.086 -5.425) 9.908 6.598 ( -7.875 0.204 13.349) 15.500 6.864 ( -10.946 1.184 19.023) 21.979 7.389 ( -9.907 7.686 -5.482) 13.685 7.521 ( 3.688 -1.457 0.571) 4.006 7.822 ( -0.767 -0.677 -5.616) 5.708 8.068 ( 18.056 -2.749 -5.155) 18.978 8.792 ( -15.524 2.042 18.106) 23.937 9.412 ( 4.772 1.582 10.008) 11.200 9.589 ( -6.847 2.403 -13.514) 15.339 9.873 ( 3.136 4.374 -8.405) 9.980 11.370 ( -11.610 4.571 -13.395) 18.306 11.499 ( 10.124 -6.908 7.487) 14.362 11.925 ( -3.845 0.364 3.244) 5.043 12.065 ( 11.474 -1.068 9.308) 14.813 13.496 ( -9.920 4.147 2.040) 10.943 13.721 ( 1.920 -4.689 10.567) 11.719 14.283 ( -0.355 5.859 -4.903) 7.648 14.492 ( 4.792 -3.809 -4.655) 7.690 16.078 ( -6.245 -2.583 -2.429) 7.182 17.547 ( 27.443 0.657 -16.983) 32.279 18.561 ( -11.432 6.126 7.440) 14.953 18.842 ( -9.109 -0.351 -5.843) 10.827 20.474 ( 17.614 -3.824 34.547) 38.967 21.052 ( -10.790 -0.777 -19.984) 22.724 22.904 ( -11.635 0.872 -11.427) 16.331 23.077 ( 11.325 -2.192 3.431) 12.035 ======================= Grid point 416 (228/260) ======================= q-point: (-0.30 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 2.199 8.662 15.312) 17.729 2.869 ( -3.412 -7.817 14.847) 17.122 3.239 ( 8.161 7.644 7.509) 13.469 3.478 ( 10.891 0.288 -0.787) 10.923 3.808 ( -2.354 -2.272 -1.247) 3.501 4.159 ( 14.302 12.824 -14.487) 24.059 4.429 ( 12.532 -1.034 -14.875) 19.478 4.627 ( 14.288 -14.801 0.969) 20.595 5.755 ( 2.613 -1.797 -0.041) 3.172 6.357 ( -7.627 0.097 4.401) 8.806 6.411 ( -10.767 0.787 3.885) 11.473 6.727 ( -3.962 2.483 7.176) 8.565 7.119 ( -12.817 1.836 -2.048) 13.109 7.734 ( 9.475 2.939 -1.397) 10.018 7.778 ( -0.254 -1.293 2.222) 2.584 8.380 ( 10.911 -1.761 -0.479) 11.063 8.465 ( -15.411 -0.885 13.277) 20.361 9.400 ( -4.700 6.970 -10.109) 13.148 9.522 ( 0.267 -3.344 2.471) 4.166 9.908 ( 0.534 4.399 -4.379) 6.230 11.109 ( -10.091 2.869 -15.719) 18.899 11.546 ( -7.340 -3.809 -1.719) 8.446 12.021 ( 11.416 -0.317 17.699) 21.064 12.340 ( 14.240 1.195 5.808) 15.426 13.311 ( -8.028 3.926 1.545) 9.069 13.752 ( 0.917 -4.742 11.334) 12.320 14.294 ( 1.486 5.702 -4.252) 7.266 14.530 ( -0.755 -8.230 -0.995) 8.324 16.191 ( 17.093 1.998 -15.340) 23.053 17.800 ( -7.395 -0.540 -9.095) 11.734 18.433 ( -3.871 7.132 -6.953) 10.687 18.575 ( -7.001 -7.394 -1.276) 10.263 20.827 ( 6.798 3.903 14.150) 16.176 20.934 ( 4.643 -5.895 10.150) 12.622 22.670 ( -8.229 -0.108 -12.534) 14.994 23.287 ( 8.483 -0.075 1.648) 8.642 ======================= Grid point 417 (229/260) ======================= q-point: (-0.20 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 2.706 3.925 13.956) 14.748 2.814 ( -2.160 -2.671 15.837) 16.205 3.418 ( 7.631 12.298 6.271) 15.773 3.663 ( -0.619 1.429 -15.488) 15.566 3.797 ( 10.384 -6.246 13.840) 18.395 4.442 ( 10.818 6.295 -16.321) 20.567 4.709 ( 14.710 7.970 -1.431) 16.791 4.937 ( 15.189 -10.306 1.693) 18.433 5.892 ( 8.398 0.977 3.840) 9.286 6.183 ( -8.357 1.338 -2.532) 8.834 6.211 ( -6.329 -2.225 8.223) 10.612 6.613 ( -7.799 1.179 -3.612) 8.675 6.905 ( -7.396 -0.142 1.981) 7.658 7.665 ( -4.187 2.406 -0.057) 4.829 7.823 ( -11.566 -2.630 13.284) 17.809 8.334 ( 2.603 -1.728 -9.985) 10.462 8.503 ( 5.471 -0.846 5.319) 7.677 9.350 ( -0.670 10.103 -6.425) 11.992 9.503 ( -1.287 -5.372 -1.193) 5.652 9.901 ( -1.006 1.653 -2.943) 3.522 10.971 ( -3.010 3.980 -11.572) 12.602 11.318 ( -13.299 -2.909 -1.315) 13.676 12.257 ( 9.796 0.744 20.232) 22.491 12.629 ( 13.354 2.946 2.082) 13.832 13.176 ( -4.846 1.251 2.980) 5.825 13.780 ( 1.925 -4.771 8.995) 10.363 14.328 ( 1.470 3.745 -5.993) 7.219 14.485 ( -3.242 -8.370 -4.505) 10.043 16.672 ( 25.807 10.937 -21.071) 35.066 17.478 ( -17.567 -12.663 6.044) 22.483 18.074 ( -17.629 -0.015 -13.987) 22.503 18.744 ( 7.866 -0.314 -3.757) 8.723 20.799 ( -2.483 4.031 0.222) 4.740 21.056 ( -1.816 -5.856 22.188) 23.020 22.668 ( 9.300 0.609 -5.669) 10.908 23.419 ( 4.134 0.937 -0.482) 4.266 ======================= Grid point 418 (230/260) ======================= q-point: (-0.10 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 0.187 2.378 11.123) 11.376 2.818 ( 2.557 -0.350 20.462) 20.624 3.423 ( -7.207 7.894 -4.497) 11.597 3.692 ( 6.107 -0.189 -1.143) 6.216 4.084 ( 13.273 -1.198 7.325) 15.207 4.567 ( 2.611 2.969 -19.043) 19.449 4.947 ( 6.384 5.871 20.139) 21.927 5.269 ( 17.411 0.675 -6.082) 18.455 5.839 ( -11.277 15.655 5.456) 20.051 6.113 ( -3.157 -2.875 11.865) 12.610 6.285 ( 13.679 -7.027 -4.630) 16.060 6.404 ( -12.140 -3.524 -8.649) 15.317 6.843 ( 1.792 -1.891 6.123) 6.654 7.406 ( -21.220 -0.681 13.142) 24.970 7.741 ( 8.347 -1.232 -10.713) 13.636 8.218 ( -9.957 -3.229 -12.666) 16.432 8.794 ( 17.538 2.624 0.761) 17.750 9.238 ( -10.065 6.668 2.443) 12.318 9.552 ( 4.645 -0.471 -5.665) 7.341 9.862 ( -2.880 -2.921 -3.730) 5.544 10.937 ( -3.754 8.784 -1.410) 9.656 11.069 ( -6.750 -5.171 -3.272) 9.111 12.421 ( 5.605 2.745 19.473) 20.449 12.879 ( 10.901 3.114 -0.429) 11.346 13.130 ( 0.466 -3.476 5.320) 6.372 13.840 ( 3.570 -5.351 7.247) 9.690 14.305 ( -5.842 3.856 -12.868) 14.649 14.420 ( -0.861 -5.701 -9.273) 10.919 16.860 ( -12.639 9.904 9.680) 18.749 17.288 ( -0.276 -12.778 -19.432) 23.258 18.003 ( 15.730 -0.497 -6.699) 17.104 18.724 ( -10.628 -2.769 -4.106) 11.726 20.774 ( 0.673 2.420 4.658) 5.292 20.928 ( -7.787 -4.736 11.508) 14.680 22.965 ( 16.628 1.188 0.070) 16.671 23.450 ( -1.185 1.520 -2.429) 3.101 ======================= Grid point 459 (231/260) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 7.042 0.000 -10.515) 12.655 2.602 ( -7.042 0.000 10.515) 12.655 3.055 ( 2.854 0.000 -13.846) 14.137 3.055 ( -2.854 0.000 13.846) 14.137 3.948 ( -3.314 0.000 -2.981) 4.458 3.948 ( 3.314 0.000 2.981) 4.458 5.081 ( -3.082 0.000 -2.845) 4.195 5.081 ( 3.082 0.000 2.845) 4.195 5.566 ( -7.592 0.000 -17.631) 19.196 5.566 ( 7.592 0.000 17.631) 19.196 6.373 ( 10.551 0.000 -6.718) 12.509 6.373 ( -10.551 0.000 6.718) 12.509 7.333 ( -7.920 0.000 -4.755) 9.238 7.333 ( 7.920 0.000 4.755) 9.238 8.298 ( 0.986 0.000 -3.124) 3.276 8.298 ( -0.986 0.000 3.124) 3.276 8.460 ( -6.037 0.000 -5.696) 8.299 8.460 ( 6.037 0.000 5.696) 8.299 9.974 ( -0.463 0.000 -9.429) 9.440 9.974 ( 0.463 0.000 9.429) 9.440 10.499 ( -9.001 0.000 -11.586) 14.671 10.499 ( 9.001 0.000 11.586) 14.671 12.393 ( 9.913 0.000 -11.140) 14.912 12.393 ( -9.913 0.000 11.140) 14.912 13.667 ( -9.135 0.000 -4.237) 10.070 13.667 ( 9.135 0.000 4.237) 10.070 14.898 ( -7.616 0.000 -0.593) 7.639 14.898 ( 7.616 0.000 0.593) 7.639 16.885 ( -20.294 0.000 -7.103) 21.501 16.885 ( 20.294 0.000 7.103) 21.501 18.853 ( 6.815 0.000 -6.077) 9.131 18.853 ( -6.815 0.000 6.077) 9.131 21.420 ( 32.927 0.000 -12.731) 35.302 21.420 ( -32.927 0.000 12.731) 35.302 22.847 ( -9.747 0.000 -12.949) 16.208 22.847 ( 9.747 0.000 12.949) 16.208 ======================= Grid point 461 (232/260) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( -3.268 0.000 1.070) 3.439 2.803 ( 12.299 0.000 -10.859) 16.407 2.977 ( -5.183 0.000 14.591) 15.485 3.111 ( 4.001 0.000 -6.990) 8.054 3.790 ( -9.454 0.000 -0.427) 9.463 3.854 ( -11.955 0.000 4.791) 12.880 5.163 ( 11.352 0.000 -12.022) 16.535 5.187 ( 4.435 0.000 -7.805) 8.977 5.412 ( -6.707 0.000 -19.490) 20.612 5.740 ( 9.141 0.000 10.711) 14.081 6.211 ( -4.846 0.000 11.251) 12.250 6.597 ( 9.813 0.000 -1.644) 9.950 7.168 ( -7.791 0.000 6.940) 10.434 7.490 ( 6.815 0.000 13.287) 14.933 8.107 ( -12.830 0.000 3.593) 13.324 8.263 ( -0.680 0.000 -2.732) 2.815 8.498 ( 4.992 0.000 -9.513) 10.743 8.649 ( 9.180 0.000 -0.874) 9.221 9.838 ( -12.463 0.000 5.738) 13.720 9.876 ( -6.787 0.000 -8.440) 10.831 10.483 ( 6.097 0.000 -10.247) 11.924 10.803 ( 18.411 0.000 7.253) 19.788 12.207 ( -8.264 0.000 12.236) 14.765 12.592 ( 9.413 0.000 -10.101) 13.807 13.439 ( -12.443 0.000 -7.085) 14.319 13.784 ( 1.009 0.000 3.267) 3.420 14.710 ( -9.283 0.000 -1.209) 9.361 14.986 ( 0.591 0.000 3.534) 3.584 16.477 ( -17.449 0.000 2.699) 17.656 17.236 ( 12.546 0.000 13.226) 18.230 18.788 ( 0.249 0.000 7.268) 7.272 19.007 ( 6.652 0.000 -3.719) 7.621 20.716 ( -33.608 0.000 8.039) 34.556 21.985 ( 20.419 0.000 -20.537) 28.960 22.640 ( -8.390 0.000 -13.044) 15.509 23.025 ( 7.091 0.000 10.284) 12.492 ======================= Grid point 462 (233/260) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( -3.854 0.000 -14.827) 15.319 2.859 ( -5.995 0.000 14.004) 15.233 3.026 ( 5.691 0.000 -7.619) 9.510 3.261 ( 11.268 0.000 3.382) 11.765 3.548 ( -16.062 0.000 3.182) 16.374 3.673 ( 1.764 0.000 -1.665) 2.425 5.204 ( -2.592 0.000 -13.400) 13.648 5.251 ( -5.775 0.000 -19.625) 20.457 5.510 ( 18.503 0.000 -11.490) 21.780 5.941 ( 9.740 0.000 4.267) 10.634 6.189 ( 2.344 0.000 11.536) 11.772 6.691 ( -2.187 0.000 9.207) 9.463 7.062 ( -1.546 0.000 8.277) 8.420 7.536 ( -6.522 0.000 4.343) 7.836 7.933 ( -0.062 0.000 14.478) 14.478 8.299 ( 3.693 0.000 -2.520) 4.471 8.565 ( 1.059 0.000 -8.897) 8.960 8.810 ( 6.824 0.000 -4.049) 7.935 9.543 ( -15.486 0.000 3.663) 15.913 9.733 ( -6.411 0.000 -8.002) 10.253 10.664 ( 11.099 0.000 -9.600) 14.675 11.217 ( 21.144 0.000 3.072) 21.366 12.069 ( -5.377 0.000 13.721) 14.736 12.749 ( 5.473 0.000 -8.945) 10.486 13.169 ( -13.083 0.000 -10.140) 16.552 13.669 ( -12.425 0.000 4.565) 13.237 14.572 ( -3.424 0.000 -3.837) 5.143 14.939 ( -4.456 0.000 8.780) 9.846 16.229 ( -6.120 0.000 8.410) 10.401 17.427 ( 7.331 0.000 10.047) 12.437 18.731 ( -11.715 0.000 3.230) 12.152 19.067 ( -1.671 0.000 -0.707) 1.814 20.205 ( -11.514 0.000 14.038) 18.156 22.101 ( -8.187 0.000 -24.953) 26.262 22.644 ( 9.442 0.000 -12.684) 15.812 23.142 ( 4.109 0.000 7.334) 8.407 ======================= Grid point 463 (234/260) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -2.361 0.000 -23.189) 23.309 2.760 ( -3.594 0.000 8.782) 9.489 2.958 ( -9.596 0.000 0.976) 9.645 3.238 ( -13.440 0.000 -1.394) 13.512 3.576 ( 18.405 0.000 11.377) 21.638 3.915 ( 18.724 0.000 -2.908) 18.948 5.079 ( -8.979 0.000 -15.888) 18.250 5.127 ( -5.708 0.000 -16.589) 17.543 5.888 ( 16.697 0.000 -9.186) 19.057 6.102 ( 4.901 0.000 6.150) 7.863 6.329 ( 11.224 0.000 3.395) 11.726 6.573 ( -6.894 0.000 22.055) 23.107 7.075 ( 1.386 0.000 0.299) 1.418 7.276 ( -14.837 0.000 -6.258) 16.103 8.071 ( 9.110 0.000 21.238) 23.110 8.343 ( -1.425 0.000 2.096) 2.534 8.525 ( -4.224 0.000 -6.957) 8.139 8.946 ( 6.022 0.000 -6.393) 8.783 9.243 ( -11.840 0.000 1.780) 11.973 9.618 ( -4.622 0.000 -6.800) 8.222 10.926 ( 14.741 0.000 -9.742) 17.669 11.649 ( 20.005 0.000 -1.942) 20.099 11.993 ( -2.424 0.000 17.447) 17.615 12.777 ( -3.459 0.000 -5.918) 6.855 12.927 ( -9.056 0.000 -13.402) 16.175 13.321 ( -19.982 0.000 4.985) 20.594 14.560 ( 1.953 0.000 -5.226) 5.579 14.850 ( -3.789 0.000 12.903) 13.448 16.234 ( 6.053 0.000 8.562) 10.485 17.597 ( 9.791 0.000 3.678) 10.459 18.239 ( -32.632 0.000 -3.844) 32.857 18.922 ( -12.296 0.000 1.640) 12.404 20.284 ( 14.523 0.000 24.533) 28.510 21.828 ( -15.354 0.000 -24.049) 28.533 22.853 ( 9.610 0.000 -13.818) 16.831 23.198 ( 1.127 0.000 5.530) 5.644 ======================= Grid point 464 (235/260) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 3.144 0.000 -20.382) 20.623 2.680 ( -8.504 0.000 -1.191) 8.587 2.779 ( -2.427 0.000 13.678) 13.891 2.998 ( -9.834 0.000 -3.686) 10.502 3.992 ( 20.845 0.000 12.070) 24.087 4.314 ( 17.826 0.000 0.444) 17.831 4.842 ( -12.716 0.000 -16.121) 20.532 4.987 ( -8.231 0.000 -11.257) 13.946 6.112 ( 4.594 0.000 -1.781) 4.927 6.157 ( 0.805 0.000 4.802) 4.869 6.518 ( 1.808 0.000 18.460) 18.549 6.573 ( 8.785 0.000 -1.382) 8.893 7.035 ( -5.451 0.000 -10.958) 12.239 7.107 ( 1.381 0.000 -0.585) 1.500 8.190 ( -1.108 0.000 13.476) 13.521 8.229 ( -8.026 0.000 2.931) 8.544 8.482 ( 3.966 0.000 -0.413) 3.988 8.881 ( -10.480 0.000 -2.452) 10.763 9.238 ( 8.574 0.000 -4.158) 9.529 9.527 ( -4.586 0.000 -3.348) 5.678 11.264 ( 18.222 0.000 -9.096) 20.366 11.848 ( -4.475 0.000 3.149) 5.472 12.117 ( 16.230 0.000 12.342) 20.389 12.642 ( -7.457 0.000 -3.773) 8.357 12.772 ( -6.952 0.000 -13.530) 15.212 12.923 ( -17.001 0.000 5.177) 17.772 14.633 ( 4.862 0.000 -7.421) 8.872 14.793 ( -2.616 0.000 13.558) 13.808 16.468 ( 16.349 0.000 6.680) 17.661 17.534 ( -33.685 0.000 -5.314) 34.101 17.848 ( 14.668 0.000 -0.907) 14.696 18.592 ( -18.854 0.000 2.937) 19.081 20.669 ( 20.304 0.000 27.414) 34.114 21.483 ( -17.544 0.000 -25.023) 30.561 23.018 ( 6.865 0.000 -11.277) 13.202 23.193 ( -1.765 0.000 5.715) 5.981 ======================= Grid point 465 (236/260) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 8.945 0.000 -10.918) 14.115 2.477 ( -8.945 0.000 10.918) 14.115 2.836 ( -5.703 0.000 -7.246) 9.221 2.836 ( 5.703 0.000 7.246) 9.221 4.388 ( -14.905 0.000 -9.236) 17.534 4.388 ( 14.905 0.000 9.236) 17.534 4.775 ( -10.522 0.000 -0.455) 10.531 4.775 ( 10.522 0.000 0.455) 10.531 6.152 ( -0.976 0.000 -0.522) 1.107 6.152 ( 0.976 0.000 0.522) 1.107 6.595 ( -3.641 0.000 -8.004) 8.793 6.595 ( 3.641 0.000 8.004) 8.793 7.079 ( 4.985 0.000 -6.478) 8.173 7.079 ( -4.985 0.000 6.478) 8.173 8.130 ( 0.423 0.000 -2.809) 2.840 8.130 ( -0.423 0.000 2.809) 2.840 8.657 ( -10.571 0.000 -4.386) 11.445 8.657 ( 10.571 0.000 4.386) 11.445 9.409 ( -7.146 0.000 1.186) 7.244 9.409 ( 7.146 0.000 -1.186) 7.244 11.628 ( 15.887 0.000 -8.323) 17.935 11.628 ( -15.887 0.000 8.323) 17.935 12.442 ( -13.339 0.000 -6.034) 14.640 12.442 ( 13.339 0.000 6.034) 14.640 12.705 ( 3.366 0.000 -8.468) 9.112 12.705 ( -3.366 0.000 8.468) 9.112 14.729 ( 4.226 0.000 -11.024) 11.807 14.729 ( -4.226 0.000 11.024) 11.807 16.908 ( -26.289 0.000 -5.557) 26.870 16.908 ( 26.289 0.000 5.557) 26.870 18.196 ( -18.876 0.000 2.975) 19.109 18.196 ( 18.876 0.000 -2.975) 19.109 21.093 ( -19.683 0.000 -26.713) 33.181 21.093 ( 19.683 0.000 26.713) 33.181 23.131 ( 4.411 0.000 -7.932) 9.076 23.131 ( -4.411 0.000 7.932) 9.076 ======================= Grid point 471 (237/260) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( 5.709 5.077 -10.216) 12.757 2.654 ( -5.709 5.077 10.216) 12.757 3.150 ( 3.692 9.107 -9.094) 13.389 3.150 ( -3.692 9.107 9.094) 13.389 3.973 ( 1.090 2.920 -7.030) 7.690 3.973 ( -1.090 2.920 7.030) 7.690 5.076 ( 1.872 -0.347 -5.449) 5.771 5.076 ( -1.872 -0.347 5.449) 5.771 5.623 ( -8.264 5.726 -18.446) 21.008 5.623 ( 8.264 5.726 18.446) 21.008 6.367 ( 6.986 -0.507 -6.574) 9.606 6.367 ( -6.986 -0.507 6.574) 9.606 7.323 ( -10.038 -1.292 -2.440) 10.410 7.323 ( 10.038 -1.292 2.440) 10.410 8.249 ( 1.775 -4.835 -6.179) 8.045 8.249 ( -1.775 -4.835 6.179) 8.045 8.503 ( -6.809 4.591 -4.332) 9.285 8.503 ( 6.809 4.591 4.332) 9.285 9.945 ( -0.992 -2.826 -9.565) 10.023 9.945 ( 0.992 -2.826 9.565) 10.023 10.556 ( -8.453 5.565 -11.583) 15.381 10.556 ( 8.453 5.565 11.583) 15.381 12.443 ( 6.732 5.113 -12.418) 15.022 12.443 ( -6.732 5.113 12.418) 15.022 13.676 ( -9.820 0.838 -5.351) 11.215 13.676 ( 9.820 0.838 5.351) 11.215 14.796 ( -8.632 -10.100 -1.289) 13.349 14.796 ( 8.632 -10.100 1.289) 13.349 16.895 ( -21.533 0.926 -5.980) 22.367 16.895 ( 21.533 0.926 5.980) 22.367 18.811 ( 0.099 -4.478 -5.608) 7.178 18.811 ( -0.099 -4.478 5.608) 7.178 21.304 ( -29.410 -10.522 9.287) 32.587 21.304 ( 29.410 -10.522 -9.287) 32.587 22.938 ( -9.811 8.213 -9.206) 15.763 22.938 ( 9.811 8.213 9.206) 15.763 ======================= Grid point 473 (238/260) ======================= q-point: ( 0.10 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( -2.549 6.920 1.057) 7.450 2.811 ( 9.447 1.576 -12.702) 15.908 3.055 ( -5.995 7.978 11.416) 15.163 3.226 ( 4.881 9.859 -1.708) 11.133 3.779 ( -11.153 -0.444 4.385) 11.992 3.904 ( -11.415 5.024 0.109) 12.472 5.136 ( 7.258 -2.503 -5.233) 9.291 5.210 ( 8.864 2.424 -13.664) 16.467 5.458 ( -6.880 4.522 -18.842) 20.563 5.807 ( 9.238 6.747 12.106) 16.656 6.198 ( -5.124 -1.234 9.618) 10.968 6.594 ( 10.041 -0.031 -2.134) 10.265 7.092 ( -11.241 -7.518 8.491) 15.968 7.528 ( 8.842 3.121 11.314) 14.695 8.079 ( -11.193 -3.262 2.106) 11.847 8.314 ( 2.074 5.054 -3.991) 6.765 8.469 ( 4.408 -2.494 -8.072) 9.530 8.674 ( 7.535 2.846 -0.027) 8.055 9.824 ( -9.714 -1.564 0.757) 9.868 9.857 ( -7.880 -1.746 -2.617) 8.485 10.519 ( 4.707 3.705 -8.842) 10.680 10.855 ( 18.096 4.933 7.023) 20.028 12.267 ( -8.155 6.175 10.123) 14.391 12.613 ( 7.319 2.092 -10.578) 13.032 13.437 ( -12.604 -0.190 -7.497) 14.666 13.815 ( 2.601 3.070 5.055) 6.461 14.604 ( -8.585 -9.867 -1.890) 13.215 14.925 ( 2.922 -6.863 3.352) 8.177 16.456 ( -18.892 -1.582 4.089) 19.394 17.279 ( 13.879 3.907 13.279) 19.601 18.734 ( 1.014 -7.252 3.123) 7.960 18.922 ( 1.331 -6.941 -1.521) 7.229 20.692 ( -27.672 -1.626 6.215) 28.408 21.846 ( 21.745 -13.187 -16.293) 30.203 22.701 ( -11.466 6.107 -9.383) 16.025 23.116 ( 6.601 7.817 5.283) 11.515 ======================= Grid point 474 (239/260) ======================= q-point: ( 0.20 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( -3.230 8.446 -13.509) 16.256 2.919 ( -6.475 5.467 8.214) 11.801 2.991 ( 5.831 -0.569 -6.430) 8.699 3.367 ( 7.451 8.144 10.224) 15.045 3.569 ( -14.105 1.912 2.556) 14.462 3.660 ( -1.347 -0.639 -3.609) 3.904 5.165 ( -3.754 -3.530 -14.276) 15.177 5.294 ( -5.023 3.249 -17.739) 18.721 5.541 ( 17.286 3.513 -9.306) 19.944 6.009 ( 10.045 6.842 4.789) 13.063 6.176 ( 2.648 -1.165 9.879) 10.294 6.672 ( -5.313 -2.529 13.147) 14.403 6.959 ( 1.030 -8.389 2.340) 8.770 7.616 ( -5.649 6.605 5.600) 10.339 7.900 ( -0.560 -2.946 10.078) 10.514 8.385 ( 3.911 7.412 0.882) 8.427 8.574 ( 4.679 1.216 -9.645) 10.789 8.788 ( 3.870 -1.893 -4.118) 5.960 9.570 ( -13.822 2.778 4.085) 14.679 9.713 ( -5.550 -1.957 -7.348) 9.414 10.677 ( 10.068 1.270 -7.227) 12.458 11.261 ( 20.608 3.866 4.025) 21.350 12.124 ( -5.952 5.845 9.689) 12.785 12.708 ( 1.401 -3.656 -9.827) 10.578 13.176 ( -12.047 0.695 -9.850) 15.577 13.757 ( -8.211 8.064 6.462) 13.199 14.483 ( -2.971 -7.858 -4.041) 9.322 14.914 ( -3.527 -3.324 7.486) 8.918 16.186 ( -6.692 -3.954 8.443) 11.476 17.483 ( 7.388 5.372 11.046) 14.334 18.719 ( -16.064 -2.526 2.128) 16.400 18.873 ( 3.241 -17.216 0.874) 17.540 20.289 ( -9.401 7.696 11.280) 16.578 22.068 ( -3.038 -4.882 -25.361) 26.005 22.582 ( 4.041 -3.807 -5.423) 7.761 23.213 ( 2.800 5.801 2.647) 6.964 ======================= Grid point 475 (240/260) ======================= q-point: ( 0.30 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( -3.136 8.536 -21.310) 23.169 2.807 ( -4.083 4.724 4.724) 7.829 2.962 ( -8.069 1.082 1.918) 8.364 3.265 ( -13.249 2.935 -0.905) 13.600 3.569 ( 14.341 -0.877 13.238) 19.537 3.886 ( 17.707 -3.248 -3.275) 18.298 5.024 ( -9.140 -4.781 -15.913) 18.963 5.162 ( -7.258 1.811 -14.942) 16.710 5.863 ( 11.816 -1.574 -3.838) 12.523 6.190 ( 5.902 7.216 4.581) 10.387 6.322 ( 11.363 -0.505 2.175) 11.580 6.526 ( -4.634 -3.902 21.531) 22.367 7.036 ( 3.938 -1.458 -5.736) 7.109 7.362 ( -13.927 6.615 -2.368) 15.599 8.008 ( 5.558 -5.217 15.069) 16.887 8.422 ( -0.547 6.599 6.505) 9.282 8.588 ( -4.183 5.544 -6.370) 9.424 8.896 ( 7.585 -3.952 -7.249) 11.211 9.301 ( -11.105 5.900 2.328) 12.789 9.630 ( -2.779 0.848 -6.085) 6.743 10.920 ( 13.884 -0.674 -7.036) 15.580 11.674 ( 18.703 1.149 1.936) 18.838 12.024 ( -4.373 4.202 10.564) 12.181 12.641 ( -7.567 -10.474 -7.885) 15.137 12.963 ( -7.841 4.487 -10.775) 14.061 13.528 ( -13.021 16.846 5.082) 21.890 14.461 ( 0.756 -8.800 -3.165) 9.383 14.828 ( -4.246 -3.122 9.457) 10.826 16.191 ( 6.516 -4.344 7.167) 10.616 17.655 ( 10.102 5.797 4.737) 12.574 18.177 ( -32.292 -6.407 -0.924) 32.934 18.883 ( -5.706 -3.636 2.019) 7.061 20.323 ( 10.598 4.010 21.378) 24.195 21.823 ( -15.945 -0.969 -25.533) 30.119 22.769 ( 10.674 -7.501 -6.913) 14.764 23.237 ( -0.382 3.114 1.424) 3.445 ======================= Grid point 476 (241/260) ======================= q-point: ( 0.40 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 1.265 5.847 -17.991) 18.960 2.694 ( -9.782 1.609 -1.645) 10.049 2.828 ( -0.634 5.187 10.621) 11.837 3.039 ( -8.952 4.000 -2.464) 10.110 3.932 ( 19.240 -5.937 12.115) 23.499 4.256 ( 16.100 -6.316 -0.393) 17.299 4.790 ( -12.016 -5.272 -15.659) 20.430 4.983 ( -10.172 -1.238 -8.939) 13.598 6.013 ( 4.624 -6.303 0.970) 7.877 6.205 ( -3.386 0.583 8.128) 8.824 6.534 ( 7.240 3.534 6.913) 10.616 6.611 ( 8.455 3.733 3.284) 9.809 7.046 ( -2.084 2.197 -11.965) 12.342 7.195 ( -1.244 7.254 0.343) 7.367 8.050 ( -0.795 -8.517 11.071) 13.991 8.326 ( -10.512 3.218 2.000) 11.175 8.552 ( 4.974 7.050 -0.514) 8.644 8.918 ( -7.749 3.890 -1.106) 8.741 9.259 ( 7.902 3.446 -1.846) 8.816 9.565 ( -4.063 3.142 -3.885) 6.440 11.246 ( 17.936 -1.991 -6.863) 19.308 11.885 ( -6.700 3.237 3.004) 8.024 12.026 ( 10.705 -7.413 11.117) 17.121 12.428 ( -11.520 -14.162 -8.083) 19.965 12.881 ( 1.136 13.522 -7.744) 15.624 13.256 ( -13.187 22.289 3.027) 26.074 14.518 ( 4.828 -10.497 -2.466) 11.815 14.746 ( -4.433 -5.490 7.446) 10.258 16.437 ( 16.937 -3.316 4.360) 17.801 17.491 ( -32.500 -4.219 -1.527) 32.808 17.920 ( 15.149 7.317 0.762) 16.840 18.643 ( -16.366 4.823 1.500) 17.127 20.650 ( 18.767 -1.765 26.307) 32.363 21.460 ( -18.349 -2.473 -26.087) 31.990 22.965 ( 8.448 -4.915 -5.821) 11.376 23.201 ( -3.131 0.488 1.819) 3.653 ======================= Grid point 477 (242/260) ======================= q-point: ( 0.50 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 5.875 2.740 -10.462) 12.308 2.499 ( -5.875 2.740 10.462) 12.308 2.890 ( -4.684 5.277 -6.024) 9.278 2.890 ( 4.684 5.277 6.024) 9.278 4.305 ( -13.281 -8.521 -10.278) 18.832 4.305 ( 13.281 -8.521 10.278) 18.832 4.746 ( -4.237 -3.424 -4.371) 6.985 4.746 ( 4.237 -3.424 4.371) 6.985 6.112 ( 4.324 -3.447 -3.207) 6.392 6.112 ( -4.324 -3.447 3.207) 6.392 6.647 ( -1.695 5.278 -5.658) 7.921 6.647 ( 1.695 5.278 5.659) 7.921 7.124 ( 7.029 4.258 -8.432) 11.774 7.124 ( -7.029 4.258 8.432) 11.774 8.108 ( -7.436 -2.709 -5.091) 9.411 8.108 ( 7.436 -2.709 5.091) 9.411 8.720 ( -5.994 6.788 -5.714) 10.708 8.720 ( 5.994 6.788 5.714) 10.708 9.442 ( -5.745 3.251 -3.015) 7.257 9.442 ( 5.745 3.251 3.015) 7.257 11.621 ( 4.796 -1.124 -6.171) 7.896 11.621 ( -4.796 -1.124 6.171) 7.896 12.222 ( -7.238 -12.692 -10.123) 17.775 12.222 ( 7.238 -12.692 10.123) 17.775 13.008 ( 4.401 21.400 -2.743) 22.020 13.008 ( -4.401 21.400 2.743) 22.020 14.638 ( 1.429 -8.978 -11.557) 14.704 14.638 ( -1.429 -8.978 11.557) 14.704 16.881 ( -25.936 -2.818 -2.331) 26.193 16.881 ( 25.936 -2.818 2.331) 26.193 18.272 ( -17.478 7.639 0.516) 19.082 18.272 ( 17.478 7.639 -0.516) 19.082 21.060 ( -19.666 -3.333 -27.046) 33.606 21.060 ( 19.666 -3.333 27.046) 33.606 23.110 ( 1.468 -2.075 -7.351) 7.778 23.110 ( -1.468 -2.075 7.351) 7.778 ======================= Grid point 483 (243/260) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( 2.813 7.325 -9.223) 12.109 2.777 ( -2.813 7.325 9.223) 12.109 3.342 ( 0.404 9.177 -9.206) 13.005 3.342 ( -0.404 9.177 9.206) 13.005 4.075 ( 8.230 7.911 -8.212) 14.062 4.075 ( -8.230 7.911 8.212) 14.062 5.085 ( 5.022 1.941 -11.046) 12.289 5.085 ( -5.022 1.941 11.046) 12.289 5.761 ( -9.925 7.807 -19.889) 23.559 5.761 ( 9.925 7.807 19.889) 23.559 6.358 ( 2.634 -0.353 -8.746) 9.141 6.358 ( -2.634 -0.353 8.746) 9.141 7.270 ( -16.616 -4.363 1.835) 17.277 7.270 ( 16.616 -4.363 -1.835) 17.277 8.124 ( 0.019 -7.909 -9.437) 12.313 8.124 ( -0.019 -7.909 9.437) 12.313 8.641 ( -7.614 9.831 -1.981) 12.592 8.641 ( 7.614 9.831 1.981) 12.592 9.873 ( -1.991 -4.644 -9.538) 10.794 9.873 ( 1.991 -4.644 9.538) 10.794 10.690 ( -5.956 7.896 -10.830) 14.666 10.690 ( 5.956 7.896 10.830) 14.666 12.573 ( 3.915 7.961 -14.705) 17.174 12.573 ( -3.915 7.961 14.705) 17.174 13.689 ( -11.506 0.151 -9.658) 15.023 13.689 ( 11.506 0.151 9.658) 15.023 14.550 ( -8.000 -14.275 -4.596) 16.997 14.550 ( 8.000 -14.275 4.596) 16.997 16.914 ( -17.973 0.959 -6.136) 19.016 16.914 ( 17.973 0.959 6.136) 19.016 18.681 ( -9.515 -8.865 -4.371) 13.720 18.681 ( 9.515 -8.865 4.371) 13.720 21.093 ( -22.152 -10.037 5.097) 24.848 21.093 ( 22.152 -10.037 -5.097) 24.848 23.104 ( -10.004 8.154 -4.006) 13.513 23.104 ( 10.004 8.154 4.006) 13.513 ======================= Grid point 485 (244/260) ======================= q-point: ( 0.10 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( -0.607 10.286 1.805) 10.461 2.863 ( 5.439 3.312 -11.095) 12.793 3.252 ( -5.644 11.044 2.713) 12.696 3.404 ( 3.561 7.316 2.585) 8.537 3.803 ( -14.975 4.047 8.825) 17.847 4.049 ( -11.106 10.051 -0.961) 15.010 5.066 ( 2.587 -4.940 -4.420) 7.116 5.300 ( 13.343 7.513 -11.248) 19.000 5.563 ( -8.255 5.681 -17.003) 19.736 5.975 ( 10.236 9.964 15.091) 20.779 6.171 ( -5.964 -1.498 5.807) 8.458 6.601 ( 11.456 0.471 -4.273) 12.236 6.906 ( -17.703 -10.900 10.031) 23.083 7.576 ( 12.529 1.320 8.430) 15.158 7.978 ( -6.987 -7.133 -2.020) 10.187 8.346 ( 12.590 -4.504 -9.258) 16.264 8.503 ( -4.180 8.089 -1.073) 9.168 8.779 ( 4.699 8.753 1.376) 10.029 9.769 ( -6.352 -4.231 -7.677) 10.826 9.824 ( -6.706 -1.647 7.626) 10.288 10.614 ( 1.457 5.947 -3.827) 7.220 10.967 ( 16.527 6.124 4.186) 18.116 12.430 ( -7.341 10.373 6.719) 14.375 12.665 ( 2.312 3.141 -12.065) 12.680 13.426 ( -12.657 -1.107 -9.089) 15.622 13.877 ( 5.170 2.312 10.972) 12.347 14.400 ( -4.826 -9.577 -6.629) 12.608 14.722 ( 6.771 -13.884 4.080) 15.977 16.444 ( -21.061 0.907 8.278) 22.648 17.354 ( 17.421 3.140 12.448) 21.641 18.463 ( -7.032 -19.365 -5.311) 21.275 18.822 ( 0.556 -3.940 3.134) 5.065 20.688 ( -16.144 1.530 3.432) 16.576 21.550 ( 21.164 -16.239 -10.574) 28.696 22.838 ( -14.610 7.237 -5.612) 17.243 23.265 ( 5.067 7.045 0.829) 8.717 ======================= Grid point 486 (245/260) ======================= q-point: ( 0.20 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( -2.090 11.975 -10.677) 16.179 2.958 ( 2.122 0.843 -7.656) 7.989 3.135 ( -4.463 12.370 2.753) 13.435 3.503 ( 1.110 5.939 21.321) 22.161 3.562 ( -2.671 -2.628 -5.027) 6.270 3.730 ( -16.339 8.608 -0.458) 18.474 5.054 ( -4.607 -8.575 -12.895) 16.157 5.351 ( -7.832 1.954 -15.765) 17.711 5.653 ( 14.663 8.234 -3.613) 17.200 6.113 ( 2.929 -1.451 -0.105) 3.270 6.209 ( 9.313 8.428 13.186) 18.210 6.565 ( -11.582 -7.525 16.767) 21.723 6.848 ( 10.364 -2.090 -6.821) 12.582 7.734 ( -5.422 4.946 6.571) 9.851 7.836 ( 0.728 -3.479 3.799) 5.202 8.476 ( 2.950 0.476 -1.115) 3.190 8.632 ( 13.316 2.935 -9.361) 16.539 8.796 ( -3.661 5.860 -0.817) 6.958 9.641 ( -8.917 4.204 4.516) 10.843 9.666 ( -3.975 -2.554 -4.649) 6.628 10.708 ( 7.086 1.878 -1.331) 7.451 11.327 ( 17.492 2.307 3.744) 18.036 12.290 ( -6.359 10.920 3.431) 13.094 12.640 ( -4.663 -2.797 -12.115) 13.279 13.197 ( -8.737 1.629 -9.538) 13.037 13.902 ( -1.957 4.744 11.012) 12.149 14.349 ( -1.274 -4.083 -8.952) 9.921 14.792 ( -0.615 -9.407 6.552) 11.481 16.113 ( -9.852 -2.564 10.647) 14.730 17.607 ( 8.331 6.904 12.848) 16.797 18.391 ( -6.499 -25.743 0.030) 26.551 18.739 ( -3.021 -1.003 2.187) 3.862 20.461 ( -6.155 9.685 7.179) 13.536 21.882 ( 8.320 -13.620 -21.021) 26.393 22.566 ( -8.306 1.725 -1.749) 8.662 23.319 ( 0.390 4.841 -0.881) 4.936 ======================= Grid point 487 (246/260) ======================= q-point: ( 0.30 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( -4.586 11.662 -18.163) 22.066 2.909 ( -4.733 5.250 -4.062) 8.153 3.052 ( -6.084 9.413 5.404) 12.442 3.358 ( -13.458 6.820 1.746) 15.188 3.530 ( 7.149 -3.608 12.618) 14.945 3.794 ( 13.626 -5.704 -1.080) 14.811 4.885 ( -10.770 -10.250 -14.220) 20.573 5.158 ( -10.720 -3.205 -10.868) 15.599 5.839 ( 3.098 -1.573 1.882) 3.952 6.216 ( 2.529 -4.014 12.211) 13.100 6.379 ( 10.329 4.803 -1.547) 11.495 6.539 ( 8.627 7.979 9.552) 15.143 7.046 ( 8.209 1.718 -8.403) 11.872 7.484 ( -12.756 5.728 0.678) 14.000 7.902 ( 0.722 -5.538 9.794) 11.274 8.560 ( 0.963 7.361 2.289) 7.769 8.632 ( -6.941 -2.803 -5.970) 9.575 8.900 ( 11.521 6.098 -3.282) 13.442 9.455 ( -8.025 9.664 4.214) 13.250 9.638 ( -0.062 -0.062 -5.298) 5.298 10.898 ( 11.520 -1.643 -0.206) 11.639 11.651 ( 13.290 -3.337 5.282) 14.685 12.161 ( -7.019 8.723 3.323) 11.679 12.472 ( -10.878 -6.315 -13.551) 18.489 13.092 ( -0.476 8.700 -8.727) 12.332 13.840 ( -4.750 13.243 7.281) 15.842 14.294 ( -3.314 -6.653 -5.484) 9.237 14.719 ( -5.516 -7.887 7.118) 11.971 16.082 ( 6.330 -6.491 5.457) 10.582 17.788 ( 8.379 6.134 4.314) 11.245 18.018 ( -23.842 -8.119 8.929) 26.723 18.803 ( 3.493 -4.377 0.915) 5.674 20.433 ( 3.328 7.192 15.289) 17.220 21.770 ( -15.317 -4.978 -28.804) 33.000 22.617 ( 10.364 -7.462 2.679) 13.049 23.291 ( -2.921 2.283 -1.877) 4.155 ======================= Grid point 488 (247/260) ======================= q-point: ( 0.40 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -1.846 9.749 -15.588) 18.478 2.760 ( -9.540 5.835 0.477) 11.194 2.969 ( -0.255 9.327 4.613) 10.409 3.141 ( -7.810 6.517 -0.153) 10.174 3.780 ( 14.855 -9.706 10.422) 20.579 4.074 ( 11.389 -12.229 -0.642) 16.724 4.640 ( -10.657 -10.476 -13.237) 19.963 4.900 ( -13.868 -8.255 -3.762) 16.572 5.902 ( 5.106 -4.922 1.396) 7.228 6.192 ( -4.288 -0.579 11.448) 12.239 6.641 ( 11.254 6.290 -6.424) 14.404 6.742 ( 8.351 10.342 8.124) 15.579 7.110 ( -0.538 3.948 -12.213) 12.846 7.343 ( -1.477 7.650 1.754) 7.987 7.884 ( -0.026 -8.731 11.585) 14.507 8.314 ( -15.121 -4.017 -5.017) 16.430 8.736 ( 8.168 11.695 -1.547) 14.349 9.033 ( -1.090 7.969 1.845) 8.252 9.386 ( 3.237 8.987 3.930) 10.329 9.617 ( -2.543 1.906 -6.190) 6.958 11.188 ( 16.747 -3.924 -0.109) 17.201 11.855 ( 3.072 -7.532 6.528) 10.430 11.971 ( -8.985 2.353 5.933) 11.021 12.235 ( -10.229 -5.235 -14.883) 18.803 13.181 ( 8.793 16.259 -6.909) 19.734 13.672 ( -11.643 20.344 4.564) 23.880 14.289 ( 3.962 -12.316 -1.156) 12.989 14.591 ( -7.217 -9.773 3.498) 12.642 16.343 ( 18.191 -6.354 -0.333) 19.272 17.388 ( -29.898 -6.054 6.218) 31.132 18.111 ( 16.212 12.119 3.910) 20.615 18.747 ( -9.348 5.223 -0.451) 10.718 20.618 ( 13.802 -1.137 23.313) 27.116 21.386 ( -19.734 -5.268 -28.620) 35.162 22.853 ( 11.209 -6.327 2.114) 13.043 23.202 ( -5.620 -0.365 -2.371) 6.110 ======================= Grid point 489 (248/260) ======================= q-point: ( 0.50 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 3.697 7.477 -11.355) 14.089 2.595 ( -3.697 7.477 11.355) 14.089 3.018 ( -1.090 7.755 -8.575) 11.613 3.018 ( 1.090 7.755 8.575) 11.613 4.079 ( -8.280 -14.522 -13.047) 21.205 4.079 ( 8.280 -14.522 13.047) 21.205 4.626 ( 0.277 -9.362 -9.623) 13.429 4.626 ( -0.277 -9.362 9.623) 13.429 6.053 ( 8.409 -2.140 -4.166) 9.625 6.053 ( -8.409 -2.140 4.166) 9.625 6.785 ( 3.544 8.740 -7.594) 12.108 6.785 ( -3.544 8.740 7.594) 12.108 7.224 ( 9.400 5.895 -9.962) 14.912 7.224 ( -9.400 5.895 9.962) 14.912 8.018 ( -12.219 -6.572 -7.497) 15.770 8.018 ( 12.219 -6.572 7.497) 15.770 8.911 ( 0.004 12.515 -9.934) 15.979 8.911 ( -0.004 12.515 9.934) 15.979 9.518 ( -4.738 4.141 -9.645) 11.516 9.518 ( 4.738 4.141 9.645) 11.516 11.567 ( -16.478 -4.622 -0.111) 17.114 11.567 ( 16.478 -4.622 0.111) 17.114 12.056 ( -7.296 -4.435 -10.170) 13.279 12.056 ( 7.296 -4.435 10.170) 13.279 13.411 ( 4.221 19.523 -3.723) 20.319 13.411 ( -4.221 19.523 3.723) 20.319 14.427 ( -1.027 -11.673 -11.351) 16.314 14.427 ( 1.027 -11.673 11.351) 16.314 16.804 ( -24.928 -5.081 3.941) 25.744 16.804 ( 24.928 -5.081 -3.941) 25.744 18.462 ( -15.085 11.481 -3.191) 19.224 18.462 ( 15.085 11.481 3.191) 19.224 20.974 ( -18.774 -5.401 -27.938) 34.090 20.974 ( 18.774 -5.401 27.938) 34.090 23.057 ( -4.974 -3.245 -7.048) 9.216 23.057 ( 4.973 -3.245 7.048) 9.216 ======================= Grid point 495 (249/260) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( -0.520 6.390 -8.717) 10.820 2.913 ( 0.520 6.390 8.717) 10.820 3.463 ( 0.303 3.613 -20.842) 21.155 3.463 ( -0.303 3.613 20.842) 21.155 4.243 ( 1.156 8.018 -5.181) 9.616 4.243 ( -1.156 8.018 5.181) 9.616 5.183 ( 1.648 9.007 -14.569) 17.207 5.183 ( -1.648 9.007 14.569) 17.207 5.880 ( -11.510 3.367 -19.743) 23.100 5.880 ( 11.510 3.367 19.743) 23.100 6.354 ( 2.550 -0.057 -12.490) 12.748 6.354 ( -2.550 -0.057 12.490) 12.748 7.171 ( -13.732 -5.161 -0.294) 14.673 7.171 ( 13.732 -5.161 0.294) 14.673 7.964 ( -2.340 -8.351 -10.045) 13.272 7.964 ( 2.340 -8.351 10.045) 13.272 8.860 ( -7.965 12.243 0.481) 14.614 8.860 ( 7.965 12.243 -0.481) 14.614 9.772 ( -3.255 -5.799 -8.448) 10.752 9.772 ( 3.255 -5.799 8.448) 10.752 10.839 ( -0.876 7.198 -9.171) 11.691 10.839 ( 0.876 7.198 9.171) 11.691 12.722 ( 2.261 7.026 -15.665) 17.316 12.722 ( -2.261 7.026 15.665) 17.316 13.658 ( -11.781 -3.923 -17.585) 21.526 13.658 ( 11.781 -3.923 17.585) 21.527 14.314 ( -3.505 -8.946 -10.648) 14.342 14.314 ( 3.505 -8.946 10.648) 14.342 16.929 ( -1.210 0.667 -13.569) 13.639 16.929 ( 1.210 0.666 13.569) 13.639 18.495 ( -18.374 -9.733 -0.601) 20.801 18.495 ( 18.374 -9.733 0.601) 20.801 20.948 ( -13.050 -5.090 2.694) 14.264 20.948 ( 13.050 -5.090 -2.693) 14.264 23.230 ( -10.250 4.839 -2.146) 11.536 23.230 ( 10.250 4.839 2.146) 11.536 ======================= Grid point 497 (250/260) ======================= q-point: ( 0.10 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( 1.187 2.458 -9.849) 10.220 2.942 ( 1.849 9.113 4.548) 10.352 3.409 ( -3.602 4.917 0.858) 6.155 3.490 ( 1.453 2.141 0.251) 2.600 3.962 ( -16.161 11.734 5.016) 20.592 4.259 ( -8.875 10.394 3.571) 14.127 4.970 ( -6.644 -3.516 -3.221) 8.178 5.481 ( 10.450 8.882 -10.723) 17.409 5.654 ( -5.994 4.708 -9.168) 11.923 6.109 ( 5.239 -0.570 16.979) 17.778 6.171 ( -2.222 4.355 3.664) 6.110 6.569 ( 8.002 -4.736 -10.168) 13.779 6.762 ( -14.807 -1.635 11.358) 18.733 7.573 ( 16.648 -1.340 6.140) 17.794 7.826 ( -3.242 -7.964 -5.920) 10.440 8.228 ( 14.059 -6.678 -8.964) 17.961 8.670 ( -8.135 8.125 0.920) 11.535 9.003 ( 3.921 13.753 1.060) 14.340 9.666 ( -5.448 -6.669 -5.659) 10.304 9.792 ( -1.544 -1.700 7.684) 8.019 10.735 ( -1.931 6.277 2.812) 7.144 11.067 ( 13.057 3.988 -1.050) 13.693 12.630 ( -5.912 9.463 7.116) 13.234 12.728 ( -2.307 3.346 -14.957) 15.500 13.396 ( -10.629 -1.670 -12.489) 16.484 13.862 ( 5.019 -3.949 14.942) 16.250 14.296 ( 2.181 -1.491 -12.693) 12.965 14.437 ( 7.535 -14.192 7.510) 17.737 16.505 ( -20.350 5.577 15.415) 26.132 17.369 ( 20.807 -2.334 6.380) 21.888 18.094 ( -17.086 -16.894 -3.968) 24.353 18.749 ( 4.891 -3.717 1.562) 6.338 20.743 ( -7.031 3.866 1.483) 8.159 21.269 ( 17.622 -12.429 -7.233) 22.744 22.953 ( -16.172 4.547 -4.485) 17.387 23.372 ( 3.666 4.024 0.106) 5.445 ======================= Grid point 498 (251/260) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( -1.894 4.915 -12.021) 13.124 3.007 ( 3.848 5.916 -0.437) 7.071 3.329 ( -3.446 5.247 0.868) 6.337 3.516 ( -1.778 -1.997 -4.682) 5.391 3.662 ( -9.365 13.354 13.829) 21.384 3.954 ( -18.137 13.987 5.927) 23.658 4.838 ( -7.821 -13.508 -9.695) 18.375 5.326 ( -13.811 -5.643 -12.236) 19.296 5.839 ( 6.876 9.949 1.742) 12.219 6.029 ( 0.465 -5.141 5.233) 7.351 6.299 ( 3.899 -1.073 8.009) 8.972 6.553 ( 4.636 7.623 5.451) 10.456 6.840 ( 11.156 0.122 -4.704) 12.108 7.765 ( -2.863 -2.379 -5.760) 6.858 7.803 ( 2.170 1.044 12.251) 12.486 8.444 ( 7.944 -2.840 -6.526) 10.665 8.642 ( 4.997 -0.306 -10.836) 11.937 8.995 ( -3.319 11.834 4.651) 13.141 9.603 ( 0.023 -3.575 -3.312) 4.874 9.732 ( -4.070 4.339 7.008) 9.192 10.748 ( 2.948 2.231 4.636) 5.930 11.339 ( 12.686 -0.875 1.030) 12.757 12.493 ( -7.711 8.881 4.163) 12.477 12.618 ( -7.782 0.547 -17.105) 18.800 13.247 ( -3.080 3.901 -10.757) 11.850 13.908 ( 0.999 -2.201 8.504) 8.841 14.336 ( 0.505 -0.216 -11.645) 11.658 14.581 ( 4.304 -10.903 6.630) 13.467 16.121 ( -15.819 3.704 17.152) 23.626 17.725 ( 10.942 5.099 14.674) 19.002 17.909 ( 0.464 -23.072 -1.405) 23.120 18.723 ( -4.606 -0.789 0.709) 4.727 20.640 ( -3.776 8.649 4.306) 10.373 21.610 ( 13.273 -13.523 -15.872) 24.717 22.609 ( -14.897 2.101 -2.498) 15.251 23.391 ( -1.460 2.690 -1.294) 3.323 ======================= Grid point 499 (252/260) ======================= q-point: ( 0.30 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( -4.322 8.053 -16.774) 19.102 3.035 ( -2.277 8.181 0.269) 8.496 3.273 ( -5.648 10.232 -1.540) 11.789 3.402 ( 1.066 -6.877 -0.299) 6.966 3.542 ( -13.780 10.027 13.966) 22.033 3.735 ( 3.520 2.253 3.697) 5.580 4.627 ( -11.902 -16.523 -10.000) 22.687 5.009 ( -16.523 -12.313 -6.203) 21.519 5.790 ( -2.522 -2.762 1.599) 4.068 6.185 ( 5.442 1.174 14.824) 15.835 6.461 ( 13.784 4.423 -7.480) 16.295 6.753 ( 11.427 11.831 4.438) 17.036 7.071 ( 10.615 0.327 -7.564) 13.039 7.570 ( -12.327 3.029 5.007) 13.645 7.809 ( -2.022 -3.699 5.214) 6.706 8.535 ( -11.249 -4.884 -7.629) 14.443 8.703 ( 11.915 6.222 -7.064) 15.185 9.047 ( 7.953 7.427 4.170) 11.653 9.613 ( -2.153 1.414 2.647) 3.693 9.657 ( -1.211 6.738 0.037) 6.846 10.865 ( 8.658 -1.408 6.788) 11.091 11.569 ( 9.515 -4.659 4.015) 11.329 12.295 ( -12.353 4.587 1.766) 13.295 12.416 ( -10.492 0.117 -17.500) 20.405 13.273 ( 5.575 9.238 -8.958) 14.024 13.956 ( 4.020 0.536 4.243) 5.869 14.265 ( -8.002 1.341 -10.777) 13.490 14.565 ( -5.517 -6.759 9.182) 12.666 15.971 ( 2.521 -4.432 7.131) 8.766 17.731 ( -13.472 -9.127 6.640) 17.575 18.038 ( 11.930 7.610 16.005) 21.363 18.720 ( 5.465 -4.235 -2.209) 7.258 20.581 ( -1.797 7.726 10.662) 13.289 21.639 ( -11.487 -8.018 -30.226) 33.315 22.504 ( 6.434 -4.263 8.008) 11.122 23.323 ( -4.935 1.106 -2.857) 5.809 ======================= Grid point 500 (253/260) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( -2.083 10.438 -16.620) 19.736 2.921 ( -8.060 10.166 6.068) 14.322 3.164 ( -2.352 9.704 -3.147) 10.469 3.288 ( -8.518 9.288 7.139) 14.484 3.567 ( 10.418 -12.629 0.316) 16.374 3.840 ( 3.437 -10.252 5.655) 12.202 4.395 ( -8.078 -14.700 -8.203) 18.672 4.668 ( -15.772 -15.040 -1.884) 21.875 5.839 ( 6.967 -1.745 -0.585) 7.206 6.200 ( -4.270 1.212 10.628) 11.518 6.765 ( 13.358 6.462 -10.317) 18.073 6.969 ( 7.586 12.451 8.897) 17.081 7.179 ( 0.437 2.989 -11.839) 12.218 7.454 ( 1.945 2.482 3.809) 4.945 7.734 ( -3.195 -5.806 10.862) 12.725 8.210 ( -17.228 -5.922 -7.769) 19.805 8.969 ( 12.123 11.816 -6.334) 18.075 9.193 ( 4.044 7.874 4.658) 10.003 9.546 ( -2.009 5.430 11.482) 12.859 9.643 ( -1.776 2.084 -10.181) 10.543 11.114 ( 15.193 -3.304 8.305) 17.627 11.706 ( 0.718 -7.290 4.226) 8.457 12.014 ( -10.937 2.413 -4.396) 12.032 12.206 ( -9.465 0.591 -10.001) 13.782 13.444 ( 10.750 9.993 -6.463) 16.037 13.996 ( -13.207 11.506 1.943) 17.623 14.092 ( 5.685 -6.145 -3.758) 9.176 14.424 ( -7.697 -6.449 5.387) 11.395 16.211 ( 19.258 -6.818 -4.034) 20.824 17.277 ( -27.509 -5.155 13.249) 30.965 18.357 ( 17.023 13.033 6.442) 22.386 18.812 ( 0.092 1.061 -1.174) 1.585 20.619 ( 6.363 1.276 19.900) 20.932 21.268 ( -20.225 -6.656 -31.447) 37.977 22.741 ( 13.223 -5.064 8.420) 16.474 23.190 ( -7.840 -0.746 -4.884) 9.267 ======================= Grid point 501 (254/260) ======================= q-point: ( 0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 4.394 11.194 -12.577) 17.401 2.778 ( -4.394 11.194 12.577) 17.401 3.175 ( 1.287 8.320 -11.841) 14.529 3.175 ( -1.287 8.320 11.842) 14.529 3.781 ( -0.835 -15.800 -15.866) 22.407 3.781 ( 0.835 -15.800 15.866) 22.407 4.401 ( -0.406 -13.273 -11.085) 17.298 4.401 ( 0.406 -13.273 11.085) 17.298 6.035 ( 6.373 -0.047 -3.672) 7.356 6.035 ( -6.373 -0.047 3.672) 7.356 6.955 ( 5.449 8.292 -12.227) 15.746 6.955 ( -5.449 8.292 12.227) 15.746 7.342 ( 10.518 6.426 -8.698) 15.085 7.342 ( -10.518 6.426 8.698) 15.085 7.872 ( -14.167 -8.238 -8.895) 18.646 7.872 ( 14.167 -8.238 8.895) 18.646 9.164 ( 2.580 13.201 -13.125) 18.793 9.164 ( -2.580 13.201 13.125) 18.793 9.576 ( -3.598 1.359 -13.603) 14.136 9.576 ( 3.598 1.359 13.603) 14.136 11.469 ( -17.523 -4.815 -7.246) 19.564 11.469 ( 17.523 -4.815 7.246) 19.564 12.026 ( -7.366 0.252 -5.147) 8.989 12.026 ( 7.366 0.252 5.147) 8.989 13.697 ( -4.382 8.897 -2.521) 10.233 13.697 ( 4.382 8.897 2.521) 10.233 14.256 ( -1.083 -4.477 -6.162) 7.693 14.256 ( 1.083 -4.477 6.162) 7.693 16.701 ( 22.890 -5.191 -9.514) 25.326 16.701 ( -22.890 -5.191 9.515) 25.326 18.677 ( -9.869 10.130 -5.923) 15.333 18.677 ( 9.869 10.130 5.923) 15.333 20.868 ( -15.962 -5.165 -29.158) 33.640 20.868 ( 15.961 -5.165 29.158) 33.640 22.996 ( -9.959 -2.930 -8.292) 13.286 22.996 ( 9.959 -2.930 8.292) 13.286 ======================= Grid point 507 (255/260) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.003 ( -3.204 2.573 -8.874) 9.780 3.003 ( 3.204 2.573 8.874) 9.780 3.500 ( 0.600 0.779 -26.206) 26.225 3.500 ( -0.600 0.779 26.206) 26.225 4.340 ( -1.673 2.166 -4.601) 5.354 4.340 ( 1.673 2.166 4.602) 5.354 5.395 ( 6.380 10.005 -15.555) 19.564 5.395 ( -6.380 10.005 15.555) 19.564 5.863 ( -9.708 -3.899 -14.033) 17.503 5.863 ( 9.708 -3.899 14.033) 17.503 6.357 ( 5.857 0.279 -13.258) 14.497 6.357 ( -5.857 0.279 13.258) 14.497 7.104 ( -16.158 -1.625 1.160) 16.281 7.104 ( 16.158 -1.625 -1.160) 16.281 7.836 ( -6.884 -4.016 -4.327) 9.069 7.836 ( 6.884 -4.016 4.327) 9.069 9.058 ( -3.510 6.702 -0.313) 7.572 9.058 ( 3.510 6.702 0.313) 7.572 9.670 ( -5.731 -3.802 -4.696) 8.328 9.670 ( 5.731 -3.802 4.696) 8.328 10.943 ( 5.260 3.122 -8.140) 10.182 10.943 ( -5.260 3.122 8.140) 10.182 12.821 ( 1.202 2.846 -15.236) 15.546 12.821 ( -1.202 2.846 15.236) 15.546 13.567 ( -9.871 -3.764 -21.970) 24.378 13.567 ( 9.871 -3.764 21.970) 24.378 14.221 ( 2.035 -1.677 -12.733) 13.003 14.221 ( -2.035 -1.677 12.733) 13.003 16.939 ( 12.021 0.282 -21.804) 24.899 16.939 ( -12.021 0.282 21.804) 24.899 18.351 ( -23.178 -4.329 3.664) 23.862 18.351 ( 23.178 -4.329 -3.664) 23.862 20.890 ( -6.161 -1.323 1.411) 6.457 20.890 ( 6.161 -1.323 -1.411) 6.457 23.290 ( -10.003 1.510 -2.471) 10.414 23.290 ( 10.003 1.510 2.471) 10.414 ======================= Grid point 509 (256/260) ======================= q-point: ( 0.10 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( -1.485 0.756 -8.656) 8.815 3.071 ( 2.909 3.688 4.864) 6.762 3.468 ( -3.000 1.854 11.834) 12.348 3.503 ( -0.218 -0.418 -8.417) 8.430 4.187 ( -9.818 10.625 -2.744) 14.725 4.346 ( -4.014 -2.728 2.054) 5.270 5.004 ( -20.401 6.163 7.122) 22.470 5.483 ( -11.009 -5.917 -18.911) 22.668 5.833 ( 10.465 11.375 4.527) 16.105 6.038 ( 4.222 -5.564 15.411) 16.920 6.206 ( -7.108 -1.005 3.298) 7.900 6.511 ( 8.104 -0.455 -14.780) 16.862 6.786 ( -6.906 1.747 11.060) 13.156 7.544 ( 20.062 -1.080 5.228) 20.760 7.707 ( -1.455 -3.652 -7.971) 8.888 8.125 ( 15.467 -3.309 -9.303) 18.350 8.786 ( -12.843 3.438 1.698) 13.403 9.261 ( 5.520 11.992 -1.011) 13.240 9.515 ( -6.616 -8.710 -1.282) 11.013 9.765 ( 2.782 -0.888 6.304) 6.947 10.833 ( -4.068 3.240 7.183) 8.868 11.112 ( 9.448 0.857 -4.615) 10.549 12.753 ( -5.589 3.126 10.498) 12.297 12.786 ( -4.175 2.113 -17.904) 18.506 13.383 ( -5.827 0.386 -18.458) 19.360 13.768 ( 7.529 -4.270 11.828) 14.657 14.219 ( 0.894 -5.319 9.118) 10.594 14.316 ( 7.391 0.246 -8.881) 11.557 16.631 ( -16.996 5.721 26.534) 32.026 17.268 ( 16.855 -5.940 -10.116) 20.535 17.884 ( -17.667 -4.880 4.680) 18.916 18.692 ( 8.435 -1.792 -0.540) 8.641 20.814 ( -2.166 2.782 0.453) 3.555 21.094 ( 13.922 -5.367 -5.746) 15.989 23.010 ( -16.817 1.442 -4.644) 17.506 23.421 ( 2.962 1.241 0.670) 3.280 ======================= Grid point 510 (257/260) ======================= q-point: ( 0.20 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( 1.077 0.200 -8.697) 8.766 3.122 ( 2.198 3.622 -3.114) 5.258 3.380 ( -5.673 2.038 9.083) 10.902 3.470 ( -3.649 -2.634 -1.026) 4.615 3.977 ( -9.297 16.699 -3.272) 19.391 4.172 ( -12.809 3.388 6.728) 14.860 4.603 ( -18.043 -7.481 2.092) 19.644 5.154 ( -18.586 -9.125 -11.101) 23.493 5.903 ( -10.976 -1.300 1.823) 11.202 6.077 ( 10.029 7.529 11.579) 17.069 6.246 ( 9.407 -3.826 -0.675) 10.178 6.701 ( 10.981 5.276 -7.440) 14.275 6.835 ( 8.378 -0.573 5.424) 9.997 7.728 ( 2.782 -1.071 -7.737) 8.291 7.812 ( 0.566 -0.003 13.062) 13.074 8.395 ( 11.661 -1.650 -9.980) 15.437 8.640 ( 0.404 0.011 -12.057) 12.064 9.181 ( -8.284 6.282 7.426) 12.776 9.535 ( 5.323 -2.884 -2.192) 6.439 9.793 ( -0.110 1.740 7.978) 8.166 10.787 ( -0.210 1.434 7.582) 7.720 11.312 ( 9.666 -1.272 -0.007) 9.750 12.603 ( -9.228 3.243 3.326) 10.331 12.639 ( -9.457 0.400 -16.848) 19.325 13.331 ( 0.988 3.483 -13.358) 13.840 13.887 ( 4.725 0.401 -0.816) 4.812 14.241 ( 0.704 -6.884 3.835) 7.912 14.472 ( 6.120 -1.289 -4.456) 7.679 16.219 ( -21.823 4.455 24.897) 33.406 17.567 ( 9.533 -10.527 -2.623) 14.442 17.796 ( 10.220 1.865 13.741) 17.226 18.710 ( -4.456 -0.422 -0.220) 4.482 20.770 ( -2.746 4.124 3.064) 5.825 21.412 ( 14.634 -6.083 -13.636) 20.907 22.636 ( -17.443 0.703 -3.195) 17.747 23.424 ( -2.356 0.826 -0.831) 2.632 ======================= Grid point 511 (258/260) ======================= q-point: ( 0.30 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( 1.498 5.627 -11.706) 13.074 3.170 ( 2.224 2.509 -6.656) 7.453 3.256 ( -5.691 -2.529 0.968) 6.302 3.345 ( -7.050 -2.817 4.986) 9.083 3.811 ( -10.768 16.424 13.242) 23.687 3.884 ( -10.862 8.613 -0.088) 13.863 4.284 ( -12.554 -17.498 -2.309) 21.659 4.755 ( -19.069 -10.646 -7.934) 23.236 5.757 ( -2.058 -0.742 -0.483) 2.240 6.219 ( 3.882 1.370 14.010) 14.602 6.534 ( 16.874 2.458 -7.862) 18.777 6.940 ( 12.083 6.959 -4.460) 14.639 7.050 ( 11.561 -2.364 -0.530) 11.812 7.595 ( -15.696 0.050 11.821) 19.649 7.772 ( -0.312 -0.521 -1.322) 1.454 8.466 ( -11.558 -1.969 -6.895) 13.602 8.786 ( 17.054 2.278 -15.922) 23.442 9.152 ( 5.588 3.123 9.468) 11.429 9.602 ( 0.275 -0.668 -1.685) 1.833 9.777 ( -1.470 3.602 7.440) 8.395 10.851 ( 6.710 -0.139 10.602) 12.548 11.495 ( 7.828 -2.475 3.386) 8.881 12.356 ( -14.596 2.114 -13.058) 19.698 12.427 ( -10.336 0.065 -4.776) 11.386 13.400 ( 5.683 3.422 -8.300) 10.625 13.975 ( 3.593 1.827 -9.581) 10.394 14.236 ( -1.458 -3.062 0.126) 3.394 14.496 ( -4.579 -1.219 3.551) 5.921 15.924 ( -3.552 -0.841 11.114) 11.698 17.591 ( -9.144 -4.271 11.550) 15.338 18.165 ( 21.199 4.248 17.661) 27.917 18.651 ( 2.117 -2.424 -5.996) 6.805 20.699 ( -3.939 3.779 8.992) 10.519 21.508 ( -8.252 -4.321 -30.152) 31.558 22.452 ( 2.980 -1.328 9.314) 9.869 23.335 ( -6.004 0.308 -3.018) 6.727 ======================= Grid point 512 (259/260) ======================= q-point: ( 0.40 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( -0.643 12.216 -13.554) 18.258 3.090 ( -6.782 5.590 7.890) 11.811 3.229 ( 0.893 -5.597 -9.681) 11.218 3.327 ( 5.776 -7.533 -3.314) 10.055 3.534 ( -12.342 14.266 12.651) 22.713 3.723 ( -9.088 -4.179 8.415) 13.072 4.125 ( -2.123 -10.917 -4.102) 11.854 4.402 ( -14.417 -9.872 -5.318) 18.265 5.823 ( 7.947 -0.244 -1.753) 8.142 6.223 ( -4.783 0.759 9.846) 10.972 6.863 ( 13.899 3.069 -12.988) 19.269 7.193 ( 11.993 9.743 2.543) 15.660 7.221 ( -2.275 2.432 -4.642) 5.713 7.389 ( 5.439 -8.169 11.084) 14.804 7.702 ( -6.517 0.937 5.140) 8.352 8.117 ( -19.452 -3.036 -8.032) 21.263 9.147 ( 16.444 5.592 -14.177) 22.420 9.308 ( 7.629 3.606 9.389) 12.624 9.557 ( -3.660 -1.537 3.725) 5.444 9.714 ( -5.527 2.900 0.957) 6.315 11.073 ( 14.185 -0.949 14.218) 20.106 11.601 ( 0.022 -3.175 -0.534) 3.220 12.060 ( -10.627 1.828 -10.048) 14.739 12.215 ( -9.906 0.080 -4.925) 11.063 13.548 ( 8.738 1.738 -3.433) 9.548 13.966 ( -6.363 -2.931 -14.438) 16.048 14.204 ( 0.174 6.099 3.336) 6.953 14.355 ( -6.568 -1.793 9.032) 11.311 16.110 ( 19.581 -3.026 -5.553) 20.577 17.206 ( -26.214 -2.033 17.268) 31.456 18.579 ( 17.081 9.057 10.344) 21.927 18.781 ( 7.252 -3.790 -3.778) 9.013 20.653 ( 0.632 1.591 18.869) 18.947 21.160 ( -19.947 -3.601 -34.356) 39.890 22.672 ( 14.100 -1.925 11.842) 18.514 23.179 ( -9.145 -0.359 -6.158) 11.031 ======================= Grid point 513 (260/260) ======================= q-point: ( 0.50 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( 2.847 8.572 -10.014) 13.486 2.985 ( -2.847 8.572 10.014) 13.486 3.309 ( 6.141 4.398 -11.707) 13.932 3.309 ( -6.141 4.398 11.707) 13.932 3.521 ( 5.210 -9.413 -12.988) 16.866 3.521 ( -5.210 -9.413 12.988) 16.866 4.180 ( -3.124 -7.704 -5.751) 10.108 4.180 ( 3.124 -7.704 5.751) 10.108 6.039 ( 8.192 0.260 -3.649) 8.972 6.039 ( -8.192 0.260 3.649) 8.972 7.072 ( 7.607 3.349 -13.793) 16.104 7.072 ( -7.607 3.349 13.793) 16.104 7.462 ( 10.951 5.316 -5.906) 13.530 7.462 ( -10.951 5.316 5.906) 13.530 7.725 ( -16.621 -6.136 -9.755) 20.225 7.725 ( 16.621 -6.136 9.755) 20.225 9.382 ( 5.018 8.526 -14.488) 17.544 9.382 ( -5.018 8.526 14.488) 17.544 9.558 ( -5.094 -2.914 -12.669) 13.962 9.558 ( 5.094 -2.914 12.669) 13.962 11.404 ( -15.812 -1.765 -14.003) 21.195 11.404 ( 15.812 -1.765 14.003) 21.195 12.037 ( -6.240 0.487 -3.617) 7.229 12.037 ( 6.240 0.487 3.617) 7.229 13.755 ( -10.645 -0.311 -3.835) 11.319 13.755 ( 10.645 -0.311 3.835) 11.319 14.255 ( 1.211 1.810 -1.936) 2.914 14.255 ( -1.211 1.810 1.936) 2.914 16.625 ( 28.706 -2.260 -14.221) 32.115 16.625 ( -28.706 -2.260 14.222) 32.115 18.819 ( -3.098 4.081 -7.655) 9.211 18.819 ( 3.098 4.081 7.655) 9.211 20.794 ( -12.674 -2.191 -30.221) 32.844 20.794 ( 12.674 -2.191 30.221) 32.844 22.955 ( -12.356 -1.180 -9.613) 15.699 22.955 ( 12.356 -1.180 9.613) 15.699 =================== 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 3/32400 10.0 2455.444 2017.007 3851.337 0.000 406.412 0.000 3/32400 20.0 728.052 682.086 1159.695 0.000 237.711 0.000 3/32400 30.0 318.396 267.248 459.134 0.000 95.458 0.000 3/32400 40.0 174.367 137.955 241.294 0.000 49.198 0.000 3/32400 50.0 110.838 85.156 151.091 0.000 29.928 0.000 3/32400 60.0 77.828 58.839 105.641 0.000 20.242 0.000 3/32400 70.0 58.538 43.817 79.429 0.000 14.710 0.000 3/32400 80.0 46.254 34.387 62.808 0.000 11.260 0.000 3/32400 90.0 37.909 28.041 51.518 0.000 8.966 0.000 3/32400 100.0 31.948 23.537 43.441 0.000 7.364 0.000 3/32400 110.0 27.521 20.207 37.427 0.000 6.200 0.000 3/32400 120.0 24.126 17.662 32.803 0.000 5.327 0.000 3/32400 130.0 21.455 15.664 29.154 0.000 4.653 0.000 3/32400 140.0 19.307 14.059 26.211 0.000 4.122 0.000 3/32400 150.0 17.548 12.746 23.795 0.000 3.695 0.000 3/32400 160.0 16.085 11.654 21.779 0.000 3.346 0.000 3/32400 170.0 14.850 10.734 20.076 0.000 3.055 0.000 3/32400 180.0 13.796 9.948 18.618 0.000 2.811 0.000 3/32400 190.0 12.887 9.269 17.359 0.000 2.602 0.000 3/32400 200.0 12.094 8.679 16.260 0.000 2.423 0.000 3/32400 210.0 11.397 8.160 15.294 0.000 2.267 0.000 3/32400 220.0 10.780 7.701 14.438 0.000 2.131 0.000 3/32400 230.0 10.230 7.292 13.675 0.000 2.011 0.000 3/32400 240.0 9.736 6.925 12.990 0.000 1.904 0.000 3/32400 250.0 9.290 6.595 12.372 0.000 1.808 0.000 3/32400 260.0 8.885 6.295 11.812 0.000 1.722 0.000 3/32400 270.0 8.516 6.022 11.302 0.000 1.644 0.000 3/32400 280.0 8.178 5.773 10.836 0.000 1.573 0.000 3/32400 290.0 7.867 5.544 10.407 0.000 1.508 0.000 3/32400 300.0 7.580 5.333 10.012 0.000 1.449 0.000 3/32400 310.0 7.314 5.138 9.647 0.000 1.394 0.000 3/32400 320.0 7.067 4.958 9.309 0.000 1.344 0.000 3/32400 330.0 6.837 4.790 8.994 0.000 1.297 0.000 3/32400 340.0 6.623 4.633 8.700 0.000 1.254 0.000 3/32400 350.0 6.421 4.487 8.426 0.000 1.213 0.000 3/32400 360.0 6.232 4.350 8.169 0.000 1.176 0.000 3/32400 370.0 6.055 4.221 7.928 0.000 1.140 0.000 3/32400 380.0 5.887 4.100 7.700 0.000 1.107 0.000 3/32400 390.0 5.729 3.986 7.486 0.000 1.076 0.000 3/32400 400.0 5.580 3.878 7.284 0.000 1.046 0.000 3/32400 410.0 5.438 3.776 7.093 0.000 1.019 0.000 3/32400 420.0 5.303 3.679 6.912 0.000 0.992 0.000 3/32400 430.0 5.176 3.588 6.740 0.000 0.967 0.000 3/32400 440.0 5.054 3.501 6.576 0.000 0.944 0.000 3/32400 450.0 4.938 3.418 6.421 0.000 0.921 0.000 3/32400 460.0 4.828 3.339 6.273 0.000 0.900 0.000 3/32400 470.0 4.722 3.264 6.131 0.000 0.879 0.000 3/32400 480.0 4.621 3.192 5.997 0.000 0.860 0.000 3/32400 490.0 4.524 3.123 5.868 0.000 0.841 0.000 3/32400 500.0 4.432 3.057 5.744 0.000 0.823 0.000 3/32400 510.0 4.343 2.994 5.626 0.000 0.806 0.000 3/32400 520.0 4.257 2.934 5.513 0.000 0.790 0.000 3/32400 530.0 4.175 2.876 5.404 0.000 0.774 0.000 3/32400 540.0 4.097 2.820 5.299 0.000 0.759 0.000 3/32400 550.0 4.021 2.767 5.199 0.000 0.745 0.000 3/32400 560.0 3.948 2.715 5.102 0.000 0.731 0.000 3/32400 570.0 3.877 2.666 5.009 0.000 0.718 0.000 3/32400 580.0 3.809 2.618 4.919 0.000 0.705 0.000 3/32400 590.0 3.744 2.572 4.833 0.000 0.692 0.000 3/32400 600.0 3.680 2.528 4.750 0.000 0.680 0.000 3/32400 610.0 3.619 2.485 4.669 0.000 0.669 0.000 3/32400 620.0 3.560 2.443 4.591 0.000 0.658 0.000 3/32400 630.0 3.503 2.403 4.516 0.000 0.647 0.000 3/32400 640.0 3.448 2.364 4.443 0.000 0.637 0.000 3/32400 650.0 3.394 2.327 4.373 0.000 0.626 0.000 3/32400 660.0 3.342 2.291 4.305 0.000 0.617 0.000 3/32400 670.0 3.291 2.255 4.238 0.000 0.607 0.000 3/32400 680.0 3.243 2.221 4.174 0.000 0.598 0.000 3/32400 690.0 3.195 2.188 4.112 0.000 0.589 0.000 3/32400 700.0 3.149 2.156 4.052 0.000 0.580 0.000 3/32400 710.0 3.104 2.125 3.994 0.000 0.572 0.000 3/32400 720.0 3.061 2.095 3.937 0.000 0.564 0.000 3/32400 730.0 3.018 2.065 3.881 0.000 0.556 0.000 3/32400 740.0 2.977 2.037 3.828 0.000 0.548 0.000 3/32400 750.0 2.937 2.009 3.776 0.000 0.541 0.000 3/32400 760.0 2.898 1.982 3.725 0.000 0.534 0.000 3/32400 770.0 2.860 1.956 3.675 0.000 0.527 0.000 3/32400 780.0 2.824 1.930 3.627 0.000 0.520 0.000 3/32400 790.0 2.788 1.905 3.580 0.000 0.513 0.000 3/32400 800.0 2.752 1.881 3.535 0.000 0.506 0.000 3/32400 810.0 2.718 1.857 3.490 0.000 0.500 0.000 3/32400 820.0 2.685 1.834 3.447 0.000 0.494 0.000 3/32400 830.0 2.652 1.812 3.405 0.000 0.488 0.000 3/32400 840.0 2.621 1.790 3.363 0.000 0.482 0.000 3/32400 850.0 2.590 1.768 3.323 0.000 0.476 0.000 3/32400 860.0 2.559 1.747 3.284 0.000 0.470 0.000 3/32400 870.0 2.530 1.727 3.245 0.000 0.465 0.000 3/32400 880.0 2.501 1.707 3.208 0.000 0.460 0.000 3/32400 890.0 2.473 1.687 3.171 0.000 0.454 0.000 3/32400 900.0 2.445 1.668 3.136 0.000 0.449 0.000 3/32400 910.0 2.418 1.650 3.101 0.000 0.444 0.000 3/32400 920.0 2.392 1.631 3.066 0.000 0.439 0.000 3/32400 930.0 2.366 1.614 3.033 0.000 0.435 0.000 3/32400 940.0 2.340 1.596 3.000 0.000 0.430 0.000 3/32400 950.0 2.316 1.579 2.968 0.000 0.425 0.000 3/32400 960.0 2.292 1.563 2.937 0.000 0.421 0.000 3/32400 970.0 2.268 1.546 2.906 0.000 0.416 0.000 3/32400 980.0 2.245 1.530 2.876 0.000 0.412 0.000 3/32400 990.0 2.222 1.515 2.847 0.000 0.408 0.000 3/32400 1000.0 2.200 1.499 2.818 0.000 0.404 0.000 3/32400 Thermal conductivity related properties were written into "kappa-m10910.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:29:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|