----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:07:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.458359375370755 -5.423282710000000 0.000000000000000 b 3.458359375370755 5.423282710000000 0.000000000000000 c -3.275721144914370 0.000000000000000 3.821989964741404 Atomic positions (fractional): *1 O 0.78634127259877 0.72556547782071 0.28180382364890 15.999 2 O 0.27443452217929 0.21365872740123 0.21819617635110 15.999 3 O 0.21365872740123 0.27443452217929 0.71819617635110 15.999 4 O 0.72556547782071 0.78634127259877 0.78180382364890 15.999 *5 O 0.37016957080328 0.94684726684540 0.65962969171177 15.999 6 O 0.05315273315460 0.62983042919672 0.84037030828823 15.999 7 O 0.62983042919672 0.05315273315460 0.34037030828823 15.999 8 O 0.94684726684540 0.37016957080328 0.15962969171177 15.999 *9 Ho 0.63197908674316 0.36802091325684 0.75000000000000 164.930 10 Ho 0.36802091325684 0.63197908674316 0.25000000000000 164.930 *11 Ta 0.10088806601942 0.89911193398058 0.75000000000000 180.948 12 Ta 0.89911193398058 0.10088806601942 0.25000000000000 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.916718750741509 0.000000000000000 0.000000000000000 b 0.000000000000000 10.846565419999999 0.000000000000000 c -3.275721144914370 0.000000000000000 3.821989964741404 Atomic positions (fractional): *1 O 0.75595337520974 0.96961210261097 0.28180382364890 15.999 > 1 2 O 0.24404662479026 0.96961210261097 0.21819617635110 15.999 > 2 3 O 0.74404662479026 0.53038789738903 0.71819617635110 15.999 > 3 4 O 0.25595337520974 0.53038789738903 0.78180382364890 15.999 > 4 *5 O 0.15850841882434 0.78833884802106 0.65962969171177 15.999 > 5 6 O 0.84149158117566 0.78833884802106 0.84037030828823 15.999 > 6 7 O 0.34149158117566 0.71166115197894 0.34037030828823 15.999 > 7 8 O 0.65850841882434 0.71166115197894 0.15962969171177 15.999 > 8 9 O 0.25595337520974 0.46961210261097 0.28180382364890 15.999 > 1 10 O 0.74404662479026 0.46961210261097 0.21819617635110 15.999 > 2 11 O 0.24404662479026 0.03038789738903 0.71819617635110 15.999 > 3 12 O 0.75595337520974 0.03038789738903 0.78180382364890 15.999 > 4 13 O 0.65850841882434 0.28833884802106 0.65962969171177 15.999 > 5 14 O 0.34149158117566 0.28833884802106 0.84037030828823 15.999 > 6 15 O 0.84149158117566 0.21166115197894 0.34037030828823 15.999 > 7 16 O 0.15850841882434 0.21166115197894 0.15962969171177 15.999 > 8 *17 Ho 0.50000000000000 0.86802091325684 0.75000000000000 164.930 > 9 18 Ho 0.00000000000000 0.63197908674316 0.25000000000000 164.930 > 10 19 Ho 0.00000000000000 0.36802091325684 0.75000000000000 164.930 > 9 20 Ho 0.50000000000000 0.13197908674316 0.25000000000000 164.930 > 10 *21 Ta 0.00000000000000 0.89911193398058 0.75000000000000 180.948 > 11 22 Ta 0.50000000000000 0.60088806601942 0.25000000000000 180.948 > 12 23 Ta 0.50000000000000 0.39911193398058 0.75000000000000 180.948 > 11 24 Ta 0.00000000000000 0.10088806601941 0.25000000000000 180.948 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.833437501483019 0.000000000000000 0.000000000000000 b 0.000000000000000 10.846565419999999 0.000000000000000 c -9.827163434743110 0.000000000000000 11.465969894224212 Atomic positions (fractional): *1 O 0.37797668760487 0.96961210261097 0.09393460788297 15.999 > 1 2 O 0.87797668760487 0.96961210261097 0.09393460788297 15.999 > 1 3 O 0.37797668760487 0.96961210261097 0.42726794121630 15.999 > 1 4 O 0.87797668760487 0.96961210261097 0.42726794121630 15.999 > 1 5 O 0.37797668760487 0.96961210261097 0.76060127454963 15.999 > 1 6 O 0.87797668760487 0.96961210261097 0.76060127454963 15.999 > 1 7 O 0.12202331239513 0.96961210261097 0.07273205878370 15.999 > 2 8 O 0.62202331239513 0.96961210261097 0.07273205878370 15.999 > 2 9 O 0.12202331239513 0.96961210261097 0.40606539211703 15.999 > 2 10 O 0.62202331239513 0.96961210261097 0.40606539211703 15.999 > 2 11 O 0.12202331239513 0.96961210261097 0.73939872545037 15.999 > 2 12 O 0.62202331239513 0.96961210261097 0.73939872545037 15.999 > 2 13 O 0.37202331239513 0.53038789738903 0.23939872545037 15.999 > 3 14 O 0.87202331239513 0.53038789738903 0.23939872545037 15.999 > 3 15 O 0.37202331239513 0.53038789738903 0.57273205878370 15.999 > 3 16 O 0.87202331239513 0.53038789738903 0.57273205878370 15.999 > 3 17 O 0.37202331239513 0.53038789738903 0.90606539211703 15.999 > 3 18 O 0.87202331239513 0.53038789738903 0.90606539211703 15.999 > 3 19 O 0.12797668760487 0.53038789738903 0.26060127454963 15.999 > 4 20 O 0.62797668760487 0.53038789738903 0.26060127454963 15.999 > 4 21 O 0.12797668760487 0.53038789738903 0.59393460788297 15.999 > 4 22 O 0.62797668760487 0.53038789738903 0.59393460788297 15.999 > 4 23 O 0.12797668760487 0.53038789738903 0.92726794121630 15.999 > 4 24 O 0.62797668760487 0.53038789738903 0.92726794121630 15.999 > 4 *25 O 0.07925420941217 0.78833884802106 0.21987656390392 15.999 > 5 26 O 0.57925420941217 0.78833884802106 0.21987656390392 15.999 > 5 27 O 0.07925420941217 0.78833884802106 0.55320989723726 15.999 > 5 28 O 0.57925420941217 0.78833884802106 0.55320989723726 15.999 > 5 29 O 0.07925420941217 0.78833884802106 0.88654323057059 15.999 > 5 30 O 0.57925420941217 0.78833884802106 0.88654323057059 15.999 > 5 31 O 0.42074579058783 0.78833884802106 0.28012343609608 15.999 > 6 32 O 0.92074579058783 0.78833884802106 0.28012343609608 15.999 > 6 33 O 0.42074579058783 0.78833884802106 0.61345676942941 15.999 > 6 34 O 0.92074579058783 0.78833884802106 0.61345676942941 15.999 > 6 35 O 0.42074579058783 0.78833884802106 0.94679010276274 15.999 > 6 36 O 0.92074579058783 0.78833884802106 0.94679010276274 15.999 > 6 37 O 0.17074579058783 0.71166115197894 0.11345676942941 15.999 > 7 38 O 0.67074579058783 0.71166115197894 0.11345676942941 15.999 > 7 39 O 0.17074579058783 0.71166115197894 0.44679010276274 15.999 > 7 40 O 0.67074579058783 0.71166115197894 0.44679010276274 15.999 > 7 41 O 0.17074579058783 0.71166115197894 0.78012343609608 15.999 > 7 42 O 0.67074579058783 0.71166115197894 0.78012343609608 15.999 > 7 43 O 0.32925420941217 0.71166115197894 0.05320989723726 15.999 > 8 44 O 0.82925420941217 0.71166115197894 0.05320989723726 15.999 > 8 45 O 0.32925420941217 0.71166115197894 0.38654323057059 15.999 > 8 46 O 0.82925420941217 0.71166115197894 0.38654323057059 15.999 > 8 47 O 0.32925420941217 0.71166115197894 0.71987656390392 15.999 > 8 48 O 0.82925420941217 0.71166115197894 0.71987656390392 15.999 > 8 49 O 0.12797668760487 0.46961210261097 0.09393460788297 15.999 > 1 50 O 0.62797668760487 0.46961210261097 0.09393460788297 15.999 > 1 51 O 0.12797668760487 0.46961210261097 0.42726794121630 15.999 > 1 52 O 0.62797668760487 0.46961210261097 0.42726794121630 15.999 > 1 53 O 0.12797668760487 0.46961210261097 0.76060127454963 15.999 > 1 54 O 0.62797668760487 0.46961210261097 0.76060127454963 15.999 > 1 55 O 0.37202331239513 0.46961210261097 0.07273205878370 15.999 > 2 56 O 0.87202331239513 0.46961210261097 0.07273205878370 15.999 > 2 57 O 0.37202331239513 0.46961210261097 0.40606539211703 15.999 > 2 58 O 0.87202331239513 0.46961210261097 0.40606539211703 15.999 > 2 59 O 0.37202331239513 0.46961210261097 0.73939872545037 15.999 > 2 60 O 0.87202331239513 0.46961210261097 0.73939872545037 15.999 > 2 61 O 0.12202331239513 0.03038789738903 0.23939872545037 15.999 > 3 62 O 0.62202331239513 0.03038789738903 0.23939872545037 15.999 > 3 63 O 0.12202331239513 0.03038789738903 0.57273205878370 15.999 > 3 64 O 0.62202331239513 0.03038789738903 0.57273205878370 15.999 > 3 65 O 0.12202331239513 0.03038789738903 0.90606539211703 15.999 > 3 66 O 0.62202331239513 0.03038789738903 0.90606539211703 15.999 > 3 67 O 0.37797668760487 0.03038789738903 0.26060127454963 15.999 > 4 68 O 0.87797668760487 0.03038789738903 0.26060127454963 15.999 > 4 69 O 0.37797668760487 0.03038789738903 0.59393460788297 15.999 > 4 70 O 0.87797668760487 0.03038789738903 0.59393460788297 15.999 > 4 71 O 0.37797668760487 0.03038789738903 0.92726794121630 15.999 > 4 72 O 0.87797668760487 0.03038789738903 0.92726794121630 15.999 > 4 73 O 0.32925420941217 0.28833884802106 0.21987656390392 15.999 > 5 74 O 0.82925420941217 0.28833884802106 0.21987656390392 15.999 > 5 75 O 0.32925420941217 0.28833884802106 0.55320989723726 15.999 > 5 76 O 0.82925420941217 0.28833884802106 0.55320989723726 15.999 > 5 77 O 0.32925420941217 0.28833884802106 0.88654323057059 15.999 > 5 78 O 0.82925420941217 0.28833884802106 0.88654323057059 15.999 > 5 79 O 0.17074579058783 0.28833884802106 0.28012343609608 15.999 > 6 80 O 0.67074579058783 0.28833884802106 0.28012343609608 15.999 > 6 81 O 0.17074579058783 0.28833884802106 0.61345676942941 15.999 > 6 82 O 0.67074579058783 0.28833884802106 0.61345676942941 15.999 > 6 83 O 0.17074579058783 0.28833884802106 0.94679010276274 15.999 > 6 84 O 0.67074579058783 0.28833884802106 0.94679010276274 15.999 > 6 85 O 0.42074579058783 0.21166115197894 0.11345676942941 15.999 > 7 86 O 0.92074579058783 0.21166115197894 0.11345676942941 15.999 > 7 87 O 0.42074579058783 0.21166115197894 0.44679010276274 15.999 > 7 88 O 0.92074579058783 0.21166115197894 0.44679010276274 15.999 > 7 89 O 0.42074579058783 0.21166115197894 0.78012343609608 15.999 > 7 90 O 0.92074579058783 0.21166115197894 0.78012343609608 15.999 > 7 91 O 0.07925420941217 0.21166115197894 0.05320989723726 15.999 > 8 92 O 0.57925420941217 0.21166115197894 0.05320989723726 15.999 > 8 93 O 0.07925420941217 0.21166115197894 0.38654323057059 15.999 > 8 94 O 0.57925420941217 0.21166115197894 0.38654323057059 15.999 > 8 95 O 0.07925420941217 0.21166115197894 0.71987656390392 15.999 > 8 96 O 0.57925420941217 0.21166115197894 0.71987656390392 15.999 > 8 *97 Ho 0.25000000000000 0.86802091325684 0.25000000000000 164.930 > 9 98 Ho 0.75000000000000 0.86802091325684 0.25000000000000 164.930 > 9 99 Ho 0.25000000000000 0.86802091325684 0.58333333333333 164.930 > 9 100 Ho 0.75000000000000 0.86802091325684 0.58333333333333 164.930 > 9 101 Ho 0.25000000000000 0.86802091325684 0.91666666666667 164.930 > 9 102 Ho 0.75000000000000 0.86802091325684 0.91666666666667 164.930 > 9 103 Ho 0.00000000000000 0.63197908674316 0.08333333333333 164.930 > 10 104 Ho 0.50000000000000 0.63197908674316 0.08333333333333 164.930 > 10 105 Ho 0.00000000000000 0.63197908674316 0.41666666666667 164.930 > 10 106 Ho 0.50000000000000 0.63197908674316 0.41666666666667 164.930 > 10 107 Ho 0.00000000000000 0.63197908674316 0.75000000000000 164.930 > 10 108 Ho 0.50000000000000 0.63197908674316 0.75000000000000 164.930 > 10 109 Ho 0.00000000000000 0.36802091325684 0.25000000000000 164.930 > 9 110 Ho 0.50000000000000 0.36802091325684 0.25000000000000 164.930 > 9 111 Ho 0.00000000000000 0.36802091325684 0.58333333333333 164.930 > 9 112 Ho 0.50000000000000 0.36802091325684 0.58333333333333 164.930 > 9 113 Ho 0.00000000000000 0.36802091325684 0.91666666666667 164.930 > 9 114 Ho 0.50000000000000 0.36802091325684 0.91666666666667 164.930 > 9 115 Ho 0.25000000000000 0.13197908674316 0.08333333333333 164.930 > 10 116 Ho 0.75000000000000 0.13197908674316 0.08333333333333 164.930 > 10 117 Ho 0.25000000000000 0.13197908674316 0.41666666666667 164.930 > 10 118 Ho 0.75000000000000 0.13197908674316 0.41666666666667 164.930 > 10 119 Ho 0.25000000000000 0.13197908674316 0.75000000000000 164.930 > 10 120 Ho 0.75000000000000 0.13197908674316 0.75000000000000 164.930 > 10 *121 Ta 0.00000000000000 0.89911193398058 0.25000000000000 180.948 > 11 122 Ta 0.50000000000000 0.89911193398058 0.25000000000000 180.948 > 11 123 Ta 0.00000000000000 0.89911193398058 0.58333333333333 180.948 > 11 124 Ta 0.50000000000000 0.89911193398058 0.58333333333333 180.948 > 11 125 Ta 0.00000000000000 0.89911193398058 0.91666666666667 180.948 > 11 126 Ta 0.50000000000000 0.89911193398058 0.91666666666667 180.948 > 11 127 Ta 0.25000000000000 0.60088806601942 0.08333333333333 180.948 > 12 128 Ta 0.75000000000000 0.60088806601942 0.08333333333333 180.948 > 12 129 Ta 0.25000000000000 0.60088806601942 0.41666666666667 180.948 > 12 130 Ta 0.75000000000000 0.60088806601942 0.41666666666667 180.948 > 12 131 Ta 0.25000000000000 0.60088806601942 0.75000000000000 180.948 > 12 132 Ta 0.75000000000000 0.60088806601942 0.75000000000000 180.948 > 12 133 Ta 0.25000000000000 0.39911193398058 0.25000000000000 180.948 > 11 134 Ta 0.75000000000000 0.39911193398058 0.25000000000000 180.948 > 11 135 Ta 0.25000000000000 0.39911193398058 0.58333333333333 180.948 > 11 136 Ta 0.75000000000000 0.39911193398058 0.58333333333333 180.948 > 11 137 Ta 0.25000000000000 0.39911193398058 0.91666666666667 180.948 > 11 138 Ta 0.75000000000000 0.39911193398058 0.91666666666667 180.948 > 11 139 Ta 0.00000000000000 0.10088806601941 0.08333333333333 180.948 > 12 140 Ta 0.50000000000000 0.10088806601941 0.08333333333333 180.948 > 12 141 Ta 0.00000000000000 0.10088806601941 0.41666666666667 180.948 > 12 142 Ta 0.50000000000000 0.10088806601941 0.41666666666667 180.948 > 12 143 Ta 0.00000000000000 0.10088806601941 0.75000000000000 180.948 > 12 144 Ta 0.50000000000000 0.10088806601941 0.75000000000000 180.948 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9189338 0.0000000 -0.3132715 0.0000000 4.6208903 0.0000000 -0.3132750 0.0000000 4.7217374 -------------------------- Born effective charges -------------------------- 1 O -1.9464316 -0.2606117 0.1259788 -0.2021189 -2.1136967 0.4698049 0.0985685 0.5679671 -3.2702217 2 O -1.9464316 0.2606117 0.1259788 0.2021189 -2.1136967 -0.4698049 0.0985685 -0.5679671 -3.2702217 3 O -1.9464316 -0.2606117 0.1259788 -0.2021189 -2.1136967 0.4698049 0.0985685 0.5679671 -3.2702217 4 O -1.9464316 0.2606117 0.1259788 0.2021189 -2.1136967 -0.4698049 0.0985685 -0.5679671 -3.2702217 5 O -3.2112307 0.9170436 0.3360386 0.9267430 -2.5778746 -0.5763018 0.3862467 -0.4903429 -1.5627955 6 O -3.2112307 -0.9170436 0.3360386 -0.9267430 -2.5778746 0.5763018 0.3862467 0.4903429 -1.5627955 7 O -3.2112307 0.9170436 0.3360386 0.9267430 -2.5778746 -0.5763018 0.3862467 -0.4903429 -1.5627955 8 O -3.2112307 -0.9170436 0.3360386 -0.9267430 -2.5778746 0.5763018 0.3862467 0.4903429 -1.5627955 9 Ho 4.4838125 0.0000000 0.0268892 0.0000000 3.8846250 0.0000000 0.4111315 0.0000000 4.2837270 10 Ho 4.4838125 0.0000000 0.0268892 0.0000000 3.8846250 0.0000000 0.4111315 0.0000000 4.2837270 11 Ta 5.8315120 0.0000000 -0.9509241 0.0000000 5.4985174 0.0000000 -1.3807621 0.0000000 5.3823074 12 Ta 5.8315120 0.0000000 -0.9509241 0.0000000 5.4985174 0.0000000 -1.3807621 0.0000000 5.3823074 ---------------------------------------------------------------------------- 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: 9972/9972 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): 0.006 Solver_block: 100 / 400 - Time: 1.134 Solver_block: 200 / 400 - Time: 0.915 Solver_block: 300 / 400 - Time: 0.926 Solver_block: 400 / 400 - Time: 0.917 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.980 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 9972/9972 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 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:07:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:07:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.458359375370755 -5.423282710000000 0.000000000000000 b 3.458359375370755 5.423282710000000 0.000000000000000 c -3.275721144914370 0.000000000000000 3.821989964741404 Atomic positions (fractional): 1 O 0.78634127259877 0.72556547782071 0.28180382364890 15.999 2 O 0.27443452217929 0.21365872740123 0.21819617635110 15.999 3 O 0.21365872740123 0.27443452217929 0.71819617635110 15.999 4 O 0.72556547782071 0.78634127259877 0.78180382364890 15.999 5 O 0.37016957080328 0.94684726684540 0.65962969171177 15.999 6 O 0.05315273315460 0.62983042919672 0.84037030828823 15.999 7 O 0.62983042919672 0.05315273315460 0.34037030828823 15.999 8 O 0.94684726684540 0.37016957080328 0.15962969171177 15.999 9 Ho 0.63197908674316 0.36802091325684 0.75000000000000 164.930 10 Ho 0.36802091325684 0.63197908674316 0.25000000000000 164.930 11 Ta 0.10088806601942 0.89911193398058 0.75000000000000 180.948 12 Ta 0.89911193398058 0.10088806601942 0.25000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.833437501483019 0.000000000000000 0.000000000000000 b 0.000000000000000 10.846565419999999 0.000000000000000 c -9.827163434743110 0.000000000000000 11.465969894224212 Atomic positions (fractional): 1 O 0.37797668760487 0.96961210261097 0.09393460788297 15.999 > 1 2 O 0.87797668760487 0.96961210261097 0.09393460788297 15.999 > 1 3 O 0.37797668760487 0.96961210261097 0.42726794121630 15.999 > 1 4 O 0.87797668760487 0.96961210261097 0.42726794121630 15.999 > 1 5 O 0.37797668760487 0.96961210261097 0.76060127454963 15.999 > 1 6 O 0.87797668760487 0.96961210261097 0.76060127454963 15.999 > 1 7 O 0.12202331239513 0.96961210261097 0.07273205878370 15.999 > 7 8 O 0.62202331239513 0.96961210261097 0.07273205878370 15.999 > 7 9 O 0.12202331239513 0.96961210261097 0.40606539211703 15.999 > 7 10 O 0.62202331239513 0.96961210261097 0.40606539211703 15.999 > 7 11 O 0.12202331239513 0.96961210261097 0.73939872545037 15.999 > 7 12 O 0.62202331239513 0.96961210261097 0.73939872545037 15.999 > 7 13 O 0.37202331239513 0.53038789738903 0.23939872545037 15.999 > 13 14 O 0.87202331239513 0.53038789738903 0.23939872545037 15.999 > 13 15 O 0.37202331239513 0.53038789738903 0.57273205878370 15.999 > 13 16 O 0.87202331239513 0.53038789738903 0.57273205878370 15.999 > 13 17 O 0.37202331239513 0.53038789738903 0.90606539211703 15.999 > 13 18 O 0.87202331239513 0.53038789738903 0.90606539211703 15.999 > 13 19 O 0.12797668760487 0.53038789738903 0.26060127454963 15.999 > 19 20 O 0.62797668760487 0.53038789738903 0.26060127454963 15.999 > 19 21 O 0.12797668760487 0.53038789738903 0.59393460788297 15.999 > 19 22 O 0.62797668760487 0.53038789738903 0.59393460788297 15.999 > 19 23 O 0.12797668760487 0.53038789738903 0.92726794121630 15.999 > 19 24 O 0.62797668760487 0.53038789738903 0.92726794121630 15.999 > 19 25 O 0.07925420941217 0.78833884802106 0.21987656390392 15.999 > 25 26 O 0.57925420941217 0.78833884802106 0.21987656390392 15.999 > 25 27 O 0.07925420941217 0.78833884802106 0.55320989723726 15.999 > 25 28 O 0.57925420941217 0.78833884802106 0.55320989723726 15.999 > 25 29 O 0.07925420941217 0.78833884802106 0.88654323057059 15.999 > 25 30 O 0.57925420941217 0.78833884802106 0.88654323057059 15.999 > 25 31 O 0.42074579058783 0.78833884802106 0.28012343609608 15.999 > 31 32 O 0.92074579058783 0.78833884802106 0.28012343609608 15.999 > 31 33 O 0.42074579058783 0.78833884802106 0.61345676942941 15.999 > 31 34 O 0.92074579058783 0.78833884802106 0.61345676942941 15.999 > 31 35 O 0.42074579058783 0.78833884802106 0.94679010276274 15.999 > 31 36 O 0.92074579058783 0.78833884802106 0.94679010276274 15.999 > 31 37 O 0.17074579058783 0.71166115197894 0.11345676942941 15.999 > 37 38 O 0.67074579058783 0.71166115197894 0.11345676942941 15.999 > 37 39 O 0.17074579058783 0.71166115197894 0.44679010276274 15.999 > 37 40 O 0.67074579058783 0.71166115197894 0.44679010276274 15.999 > 37 41 O 0.17074579058783 0.71166115197894 0.78012343609608 15.999 > 37 42 O 0.67074579058783 0.71166115197894 0.78012343609608 15.999 > 37 43 O 0.32925420941217 0.71166115197894 0.05320989723726 15.999 > 43 44 O 0.82925420941217 0.71166115197894 0.05320989723726 15.999 > 43 45 O 0.32925420941217 0.71166115197894 0.38654323057059 15.999 > 43 46 O 0.82925420941217 0.71166115197894 0.38654323057059 15.999 > 43 47 O 0.32925420941217 0.71166115197894 0.71987656390392 15.999 > 43 48 O 0.82925420941217 0.71166115197894 0.71987656390392 15.999 > 43 49 O 0.12797668760487 0.46961210261097 0.09393460788297 15.999 > 1 50 O 0.62797668760487 0.46961210261097 0.09393460788297 15.999 > 1 51 O 0.12797668760487 0.46961210261097 0.42726794121630 15.999 > 1 52 O 0.62797668760487 0.46961210261097 0.42726794121630 15.999 > 1 53 O 0.12797668760487 0.46961210261097 0.76060127454963 15.999 > 1 54 O 0.62797668760487 0.46961210261097 0.76060127454963 15.999 > 1 55 O 0.37202331239513 0.46961210261097 0.07273205878370 15.999 > 7 56 O 0.87202331239513 0.46961210261097 0.07273205878370 15.999 > 7 57 O 0.37202331239513 0.46961210261097 0.40606539211703 15.999 > 7 58 O 0.87202331239513 0.46961210261097 0.40606539211703 15.999 > 7 59 O 0.37202331239513 0.46961210261097 0.73939872545037 15.999 > 7 60 O 0.87202331239513 0.46961210261097 0.73939872545037 15.999 > 7 61 O 0.12202331239513 0.03038789738903 0.23939872545037 15.999 > 13 62 O 0.62202331239513 0.03038789738903 0.23939872545037 15.999 > 13 63 O 0.12202331239513 0.03038789738903 0.57273205878370 15.999 > 13 64 O 0.62202331239513 0.03038789738903 0.57273205878370 15.999 > 13 65 O 0.12202331239513 0.03038789738903 0.90606539211703 15.999 > 13 66 O 0.62202331239513 0.03038789738903 0.90606539211703 15.999 > 13 67 O 0.37797668760487 0.03038789738903 0.26060127454963 15.999 > 19 68 O 0.87797668760487 0.03038789738903 0.26060127454963 15.999 > 19 69 O 0.37797668760487 0.03038789738903 0.59393460788297 15.999 > 19 70 O 0.87797668760487 0.03038789738903 0.59393460788297 15.999 > 19 71 O 0.37797668760487 0.03038789738903 0.92726794121630 15.999 > 19 72 O 0.87797668760487 0.03038789738903 0.92726794121630 15.999 > 19 73 O 0.32925420941217 0.28833884802106 0.21987656390392 15.999 > 25 74 O 0.82925420941217 0.28833884802106 0.21987656390392 15.999 > 25 75 O 0.32925420941217 0.28833884802106 0.55320989723726 15.999 > 25 76 O 0.82925420941217 0.28833884802106 0.55320989723726 15.999 > 25 77 O 0.32925420941217 0.28833884802106 0.88654323057059 15.999 > 25 78 O 0.82925420941217 0.28833884802106 0.88654323057059 15.999 > 25 79 O 0.17074579058783 0.28833884802106 0.28012343609608 15.999 > 31 80 O 0.67074579058783 0.28833884802106 0.28012343609608 15.999 > 31 81 O 0.17074579058783 0.28833884802106 0.61345676942941 15.999 > 31 82 O 0.67074579058783 0.28833884802106 0.61345676942941 15.999 > 31 83 O 0.17074579058783 0.28833884802106 0.94679010276274 15.999 > 31 84 O 0.67074579058783 0.28833884802106 0.94679010276274 15.999 > 31 85 O 0.42074579058783 0.21166115197894 0.11345676942941 15.999 > 37 86 O 0.92074579058783 0.21166115197894 0.11345676942941 15.999 > 37 87 O 0.42074579058783 0.21166115197894 0.44679010276274 15.999 > 37 88 O 0.92074579058783 0.21166115197894 0.44679010276274 15.999 > 37 89 O 0.42074579058783 0.21166115197894 0.78012343609608 15.999 > 37 90 O 0.92074579058783 0.21166115197894 0.78012343609608 15.999 > 37 91 O 0.07925420941217 0.21166115197894 0.05320989723726 15.999 > 43 92 O 0.57925420941217 0.21166115197894 0.05320989723726 15.999 > 43 93 O 0.07925420941217 0.21166115197894 0.38654323057059 15.999 > 43 94 O 0.57925420941217 0.21166115197894 0.38654323057059 15.999 > 43 95 O 0.07925420941217 0.21166115197894 0.71987656390392 15.999 > 43 96 O 0.57925420941217 0.21166115197894 0.71987656390392 15.999 > 43 97 Ho 0.25000000000000 0.86802091325684 0.25000000000000 164.930 > 97 98 Ho 0.75000000000000 0.86802091325684 0.25000000000000 164.930 > 97 99 Ho 0.25000000000000 0.86802091325684 0.58333333333333 164.930 > 97 100 Ho 0.75000000000000 0.86802091325684 0.58333333333333 164.930 > 97 101 Ho 0.25000000000000 0.86802091325684 0.91666666666667 164.930 > 97 102 Ho 0.75000000000000 0.86802091325684 0.91666666666667 164.930 > 97 103 Ho 0.00000000000000 0.63197908674316 0.08333333333333 164.930 > 103 104 Ho 0.50000000000000 0.63197908674316 0.08333333333333 164.930 > 103 105 Ho 0.00000000000000 0.63197908674316 0.41666666666667 164.930 > 103 106 Ho 0.50000000000000 0.63197908674316 0.41666666666667 164.930 > 103 107 Ho 0.00000000000000 0.63197908674316 0.75000000000000 164.930 > 103 108 Ho 0.50000000000000 0.63197908674316 0.75000000000000 164.930 > 103 109 Ho 0.00000000000000 0.36802091325684 0.25000000000000 164.930 > 97 110 Ho 0.50000000000000 0.36802091325684 0.25000000000000 164.930 > 97 111 Ho 0.00000000000000 0.36802091325684 0.58333333333333 164.930 > 97 112 Ho 0.50000000000000 0.36802091325684 0.58333333333333 164.930 > 97 113 Ho 0.00000000000000 0.36802091325684 0.91666666666667 164.930 > 97 114 Ho 0.50000000000000 0.36802091325684 0.91666666666667 164.930 > 97 115 Ho 0.25000000000000 0.13197908674316 0.08333333333333 164.930 > 103 116 Ho 0.75000000000000 0.13197908674316 0.08333333333333 164.930 > 103 117 Ho 0.25000000000000 0.13197908674316 0.41666666666667 164.930 > 103 118 Ho 0.75000000000000 0.13197908674316 0.41666666666667 164.930 > 103 119 Ho 0.25000000000000 0.13197908674316 0.75000000000000 164.930 > 103 120 Ho 0.75000000000000 0.13197908674316 0.75000000000000 164.930 > 103 121 Ta 0.00000000000000 0.89911193398058 0.25000000000000 180.948 > 121 122 Ta 0.50000000000000 0.89911193398058 0.25000000000000 180.948 > 121 123 Ta 0.00000000000000 0.89911193398058 0.58333333333333 180.948 > 121 124 Ta 0.50000000000000 0.89911193398058 0.58333333333333 180.948 > 121 125 Ta 0.00000000000000 0.89911193398058 0.91666666666667 180.948 > 121 126 Ta 0.50000000000000 0.89911193398058 0.91666666666667 180.948 > 121 127 Ta 0.25000000000000 0.60088806601942 0.08333333333333 180.948 > 127 128 Ta 0.75000000000000 0.60088806601942 0.08333333333333 180.948 > 127 129 Ta 0.25000000000000 0.60088806601942 0.41666666666667 180.948 > 127 130 Ta 0.75000000000000 0.60088806601942 0.41666666666667 180.948 > 127 131 Ta 0.25000000000000 0.60088806601942 0.75000000000000 180.948 > 127 132 Ta 0.75000000000000 0.60088806601942 0.75000000000000 180.948 > 127 133 Ta 0.25000000000000 0.39911193398058 0.25000000000000 180.948 > 121 134 Ta 0.75000000000000 0.39911193398058 0.25000000000000 180.948 > 121 135 Ta 0.25000000000000 0.39911193398058 0.58333333333333 180.948 > 121 136 Ta 0.75000000000000 0.39911193398058 0.58333333333333 180.948 > 121 137 Ta 0.25000000000000 0.39911193398058 0.91666666666667 180.948 > 121 138 Ta 0.75000000000000 0.39911193398058 0.91666666666667 180.948 > 121 139 Ta 0.00000000000000 0.10088806601941 0.08333333333333 180.948 > 127 140 Ta 0.50000000000000 0.10088806601941 0.08333333333333 180.948 > 127 141 Ta 0.00000000000000 0.10088806601941 0.41666666666667 180.948 > 127 142 Ta 0.50000000000000 0.10088806601941 0.41666666666667 180.948 > 127 143 Ta 0.00000000000000 0.10088806601941 0.75000000000000 180.948 > 127 144 Ta 0.50000000000000 0.10088806601941 0.75000000000000 180.948 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9189338 0.0000000 -0.3132715 0.0000000 4.6208903 0.0000000 -0.3132750 0.0000000 4.7217374 -------------------------- Born effective charges -------------------------- 1 O -1.9464316 -0.2606117 0.1259788 -0.2021189 -2.1136967 0.4698049 0.0985685 0.5679671 -3.2702217 2 O -1.9464316 0.2606117 0.1259788 0.2021189 -2.1136967 -0.4698049 0.0985685 -0.5679671 -3.2702217 3 O -1.9464316 -0.2606117 0.1259788 -0.2021189 -2.1136967 0.4698049 0.0985685 0.5679671 -3.2702217 4 O -1.9464316 0.2606117 0.1259788 0.2021189 -2.1136967 -0.4698049 0.0985685 -0.5679671 -3.2702217 5 O -3.2112307 0.9170436 0.3360386 0.9267430 -2.5778746 -0.5763018 0.3862467 -0.4903429 -1.5627955 6 O -3.2112307 -0.9170436 0.3360386 -0.9267430 -2.5778746 0.5763018 0.3862467 0.4903429 -1.5627955 7 O -3.2112307 0.9170436 0.3360386 0.9267430 -2.5778746 -0.5763018 0.3862467 -0.4903429 -1.5627955 8 O -3.2112307 -0.9170436 0.3360386 -0.9267430 -2.5778746 0.5763018 0.3862467 0.4903429 -1.5627955 9 Ho 4.4838125 0.0000000 0.0268892 0.0000000 3.8846250 0.0000000 0.4111315 0.0000000 4.2837270 10 Ho 4.4838125 0.0000000 0.0268892 0.0000000 3.8846250 0.0000000 0.4111315 0.0000000 4.2837270 11 Ta 5.8315120 0.0000000 -0.9509241 0.0000000 5.4985174 0.0000000 -1.3807621 0.0000000 5.3823074 12 Ta 5.8315120 0.0000000 -0.9509241 0.0000000 5.4985174 0.0000000 -1.3807621 0.0000000 5.3823074 ---------------------------------------------------------------------------- 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 25, 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (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 20:08:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:08:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.458359375370755 -5.423282710000000 0.000000000000000 b 3.458359375370755 5.423282710000000 0.000000000000000 c -3.275721144914370 0.000000000000000 3.821989964741404 Atomic positions (fractional): 1 O 0.78634127259877 0.72556547782071 0.28180382364890 15.999 2 O 0.27443452217929 0.21365872740123 0.21819617635110 15.999 3 O 0.21365872740123 0.27443452217929 0.71819617635110 15.999 4 O 0.72556547782071 0.78634127259877 0.78180382364890 15.999 5 O 0.37016957080328 0.94684726684540 0.65962969171177 15.999 6 O 0.05315273315460 0.62983042919672 0.84037030828823 15.999 7 O 0.62983042919672 0.05315273315460 0.34037030828823 15.999 8 O 0.94684726684540 0.37016957080328 0.15962969171177 15.999 9 Ho 0.63197908674316 0.36802091325684 0.75000000000000 164.930 10 Ho 0.36802091325684 0.63197908674316 0.25000000000000 164.930 11 Ta 0.10088806601942 0.89911193398058 0.75000000000000 180.948 12 Ta 0.89911193398058 0.10088806601942 0.25000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.833437501483019 0.000000000000000 0.000000000000000 b 0.000000000000000 10.846565419999999 0.000000000000000 c -9.827163434743110 0.000000000000000 11.465969894224212 Atomic positions (fractional): 1 O 0.37797668760487 0.96961210261097 0.09393460788297 15.999 > 1 2 O 0.87797668760487 0.96961210261097 0.09393460788297 15.999 > 1 3 O 0.37797668760487 0.96961210261097 0.42726794121630 15.999 > 1 4 O 0.87797668760487 0.96961210261097 0.42726794121630 15.999 > 1 5 O 0.37797668760487 0.96961210261097 0.76060127454963 15.999 > 1 6 O 0.87797668760487 0.96961210261097 0.76060127454963 15.999 > 1 7 O 0.12202331239513 0.96961210261097 0.07273205878370 15.999 > 7 8 O 0.62202331239513 0.96961210261097 0.07273205878370 15.999 > 7 9 O 0.12202331239513 0.96961210261097 0.40606539211703 15.999 > 7 10 O 0.62202331239513 0.96961210261097 0.40606539211703 15.999 > 7 11 O 0.12202331239513 0.96961210261097 0.73939872545037 15.999 > 7 12 O 0.62202331239513 0.96961210261097 0.73939872545037 15.999 > 7 13 O 0.37202331239513 0.53038789738903 0.23939872545037 15.999 > 13 14 O 0.87202331239513 0.53038789738903 0.23939872545037 15.999 > 13 15 O 0.37202331239513 0.53038789738903 0.57273205878370 15.999 > 13 16 O 0.87202331239513 0.53038789738903 0.57273205878370 15.999 > 13 17 O 0.37202331239513 0.53038789738903 0.90606539211703 15.999 > 13 18 O 0.87202331239513 0.53038789738903 0.90606539211703 15.999 > 13 19 O 0.12797668760487 0.53038789738903 0.26060127454963 15.999 > 19 20 O 0.62797668760487 0.53038789738903 0.26060127454963 15.999 > 19 21 O 0.12797668760487 0.53038789738903 0.59393460788297 15.999 > 19 22 O 0.62797668760487 0.53038789738903 0.59393460788297 15.999 > 19 23 O 0.12797668760487 0.53038789738903 0.92726794121630 15.999 > 19 24 O 0.62797668760487 0.53038789738903 0.92726794121630 15.999 > 19 25 O 0.07925420941217 0.78833884802106 0.21987656390392 15.999 > 25 26 O 0.57925420941217 0.78833884802106 0.21987656390392 15.999 > 25 27 O 0.07925420941217 0.78833884802106 0.55320989723726 15.999 > 25 28 O 0.57925420941217 0.78833884802106 0.55320989723726 15.999 > 25 29 O 0.07925420941217 0.78833884802106 0.88654323057059 15.999 > 25 30 O 0.57925420941217 0.78833884802106 0.88654323057059 15.999 > 25 31 O 0.42074579058783 0.78833884802106 0.28012343609608 15.999 > 31 32 O 0.92074579058783 0.78833884802106 0.28012343609608 15.999 > 31 33 O 0.42074579058783 0.78833884802106 0.61345676942941 15.999 > 31 34 O 0.92074579058783 0.78833884802106 0.61345676942941 15.999 > 31 35 O 0.42074579058783 0.78833884802106 0.94679010276274 15.999 > 31 36 O 0.92074579058783 0.78833884802106 0.94679010276274 15.999 > 31 37 O 0.17074579058783 0.71166115197894 0.11345676942941 15.999 > 37 38 O 0.67074579058783 0.71166115197894 0.11345676942941 15.999 > 37 39 O 0.17074579058783 0.71166115197894 0.44679010276274 15.999 > 37 40 O 0.67074579058783 0.71166115197894 0.44679010276274 15.999 > 37 41 O 0.17074579058783 0.71166115197894 0.78012343609608 15.999 > 37 42 O 0.67074579058783 0.71166115197894 0.78012343609608 15.999 > 37 43 O 0.32925420941217 0.71166115197894 0.05320989723726 15.999 > 43 44 O 0.82925420941217 0.71166115197894 0.05320989723726 15.999 > 43 45 O 0.32925420941217 0.71166115197894 0.38654323057059 15.999 > 43 46 O 0.82925420941217 0.71166115197894 0.38654323057059 15.999 > 43 47 O 0.32925420941217 0.71166115197894 0.71987656390392 15.999 > 43 48 O 0.82925420941217 0.71166115197894 0.71987656390392 15.999 > 43 49 O 0.12797668760487 0.46961210261097 0.09393460788297 15.999 > 1 50 O 0.62797668760487 0.46961210261097 0.09393460788297 15.999 > 1 51 O 0.12797668760487 0.46961210261097 0.42726794121630 15.999 > 1 52 O 0.62797668760487 0.46961210261097 0.42726794121630 15.999 > 1 53 O 0.12797668760487 0.46961210261097 0.76060127454963 15.999 > 1 54 O 0.62797668760487 0.46961210261097 0.76060127454963 15.999 > 1 55 O 0.37202331239513 0.46961210261097 0.07273205878370 15.999 > 7 56 O 0.87202331239513 0.46961210261097 0.07273205878370 15.999 > 7 57 O 0.37202331239513 0.46961210261097 0.40606539211703 15.999 > 7 58 O 0.87202331239513 0.46961210261097 0.40606539211703 15.999 > 7 59 O 0.37202331239513 0.46961210261097 0.73939872545037 15.999 > 7 60 O 0.87202331239513 0.46961210261097 0.73939872545037 15.999 > 7 61 O 0.12202331239513 0.03038789738903 0.23939872545037 15.999 > 13 62 O 0.62202331239513 0.03038789738903 0.23939872545037 15.999 > 13 63 O 0.12202331239513 0.03038789738903 0.57273205878370 15.999 > 13 64 O 0.62202331239513 0.03038789738903 0.57273205878370 15.999 > 13 65 O 0.12202331239513 0.03038789738903 0.90606539211703 15.999 > 13 66 O 0.62202331239513 0.03038789738903 0.90606539211703 15.999 > 13 67 O 0.37797668760487 0.03038789738903 0.26060127454963 15.999 > 19 68 O 0.87797668760487 0.03038789738903 0.26060127454963 15.999 > 19 69 O 0.37797668760487 0.03038789738903 0.59393460788297 15.999 > 19 70 O 0.87797668760487 0.03038789738903 0.59393460788297 15.999 > 19 71 O 0.37797668760487 0.03038789738903 0.92726794121630 15.999 > 19 72 O 0.87797668760487 0.03038789738903 0.92726794121630 15.999 > 19 73 O 0.32925420941217 0.28833884802106 0.21987656390392 15.999 > 25 74 O 0.82925420941217 0.28833884802106 0.21987656390392 15.999 > 25 75 O 0.32925420941217 0.28833884802106 0.55320989723726 15.999 > 25 76 O 0.82925420941217 0.28833884802106 0.55320989723726 15.999 > 25 77 O 0.32925420941217 0.28833884802106 0.88654323057059 15.999 > 25 78 O 0.82925420941217 0.28833884802106 0.88654323057059 15.999 > 25 79 O 0.17074579058783 0.28833884802106 0.28012343609608 15.999 > 31 80 O 0.67074579058783 0.28833884802106 0.28012343609608 15.999 > 31 81 O 0.17074579058783 0.28833884802106 0.61345676942941 15.999 > 31 82 O 0.67074579058783 0.28833884802106 0.61345676942941 15.999 > 31 83 O 0.17074579058783 0.28833884802106 0.94679010276274 15.999 > 31 84 O 0.67074579058783 0.28833884802106 0.94679010276274 15.999 > 31 85 O 0.42074579058783 0.21166115197894 0.11345676942941 15.999 > 37 86 O 0.92074579058783 0.21166115197894 0.11345676942941 15.999 > 37 87 O 0.42074579058783 0.21166115197894 0.44679010276274 15.999 > 37 88 O 0.92074579058783 0.21166115197894 0.44679010276274 15.999 > 37 89 O 0.42074579058783 0.21166115197894 0.78012343609608 15.999 > 37 90 O 0.92074579058783 0.21166115197894 0.78012343609608 15.999 > 37 91 O 0.07925420941217 0.21166115197894 0.05320989723726 15.999 > 43 92 O 0.57925420941217 0.21166115197894 0.05320989723726 15.999 > 43 93 O 0.07925420941217 0.21166115197894 0.38654323057059 15.999 > 43 94 O 0.57925420941217 0.21166115197894 0.38654323057059 15.999 > 43 95 O 0.07925420941217 0.21166115197894 0.71987656390392 15.999 > 43 96 O 0.57925420941217 0.21166115197894 0.71987656390392 15.999 > 43 97 Ho 0.25000000000000 0.86802091325684 0.25000000000000 164.930 > 97 98 Ho 0.75000000000000 0.86802091325684 0.25000000000000 164.930 > 97 99 Ho 0.25000000000000 0.86802091325684 0.58333333333333 164.930 > 97 100 Ho 0.75000000000000 0.86802091325684 0.58333333333333 164.930 > 97 101 Ho 0.25000000000000 0.86802091325684 0.91666666666667 164.930 > 97 102 Ho 0.75000000000000 0.86802091325684 0.91666666666667 164.930 > 97 103 Ho 0.00000000000000 0.63197908674316 0.08333333333333 164.930 > 103 104 Ho 0.50000000000000 0.63197908674316 0.08333333333333 164.930 > 103 105 Ho 0.00000000000000 0.63197908674316 0.41666666666667 164.930 > 103 106 Ho 0.50000000000000 0.63197908674316 0.41666666666667 164.930 > 103 107 Ho 0.00000000000000 0.63197908674316 0.75000000000000 164.930 > 103 108 Ho 0.50000000000000 0.63197908674316 0.75000000000000 164.930 > 103 109 Ho 0.00000000000000 0.36802091325684 0.25000000000000 164.930 > 97 110 Ho 0.50000000000000 0.36802091325684 0.25000000000000 164.930 > 97 111 Ho 0.00000000000000 0.36802091325684 0.58333333333333 164.930 > 97 112 Ho 0.50000000000000 0.36802091325684 0.58333333333333 164.930 > 97 113 Ho 0.00000000000000 0.36802091325684 0.91666666666667 164.930 > 97 114 Ho 0.50000000000000 0.36802091325684 0.91666666666667 164.930 > 97 115 Ho 0.25000000000000 0.13197908674316 0.08333333333333 164.930 > 103 116 Ho 0.75000000000000 0.13197908674316 0.08333333333333 164.930 > 103 117 Ho 0.25000000000000 0.13197908674316 0.41666666666667 164.930 > 103 118 Ho 0.75000000000000 0.13197908674316 0.41666666666667 164.930 > 103 119 Ho 0.25000000000000 0.13197908674316 0.75000000000000 164.930 > 103 120 Ho 0.75000000000000 0.13197908674316 0.75000000000000 164.930 > 103 121 Ta 0.00000000000000 0.89911193398058 0.25000000000000 180.948 > 121 122 Ta 0.50000000000000 0.89911193398058 0.25000000000000 180.948 > 121 123 Ta 0.00000000000000 0.89911193398058 0.58333333333333 180.948 > 121 124 Ta 0.50000000000000 0.89911193398058 0.58333333333333 180.948 > 121 125 Ta 0.00000000000000 0.89911193398058 0.91666666666667 180.948 > 121 126 Ta 0.50000000000000 0.89911193398058 0.91666666666667 180.948 > 121 127 Ta 0.25000000000000 0.60088806601942 0.08333333333333 180.948 > 127 128 Ta 0.75000000000000 0.60088806601942 0.08333333333333 180.948 > 127 129 Ta 0.25000000000000 0.60088806601942 0.41666666666667 180.948 > 127 130 Ta 0.75000000000000 0.60088806601942 0.41666666666667 180.948 > 127 131 Ta 0.25000000000000 0.60088806601942 0.75000000000000 180.948 > 127 132 Ta 0.75000000000000 0.60088806601942 0.75000000000000 180.948 > 127 133 Ta 0.25000000000000 0.39911193398058 0.25000000000000 180.948 > 121 134 Ta 0.75000000000000 0.39911193398058 0.25000000000000 180.948 > 121 135 Ta 0.25000000000000 0.39911193398058 0.58333333333333 180.948 > 121 136 Ta 0.75000000000000 0.39911193398058 0.58333333333333 180.948 > 121 137 Ta 0.25000000000000 0.39911193398058 0.91666666666667 180.948 > 121 138 Ta 0.75000000000000 0.39911193398058 0.91666666666667 180.948 > 121 139 Ta 0.00000000000000 0.10088806601941 0.08333333333333 180.948 > 127 140 Ta 0.50000000000000 0.10088806601941 0.08333333333333 180.948 > 127 141 Ta 0.00000000000000 0.10088806601941 0.41666666666667 180.948 > 127 142 Ta 0.50000000000000 0.10088806601941 0.41666666666667 180.948 > 127 143 Ta 0.00000000000000 0.10088806601941 0.75000000000000 180.948 > 127 144 Ta 0.50000000000000 0.10088806601941 0.75000000000000 180.948 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.9189338 0.0000000 -0.3132715 0.0000000 4.6208903 0.0000000 -0.3132750 0.0000000 4.7217374 -------------------------- Born effective charges -------------------------- 1 O -1.9464316 -0.2606117 0.1259788 -0.2021189 -2.1136967 0.4698049 0.0985685 0.5679671 -3.2702217 2 O -1.9464316 0.2606117 0.1259788 0.2021189 -2.1136967 -0.4698049 0.0985685 -0.5679671 -3.2702217 3 O -1.9464316 -0.2606117 0.1259788 -0.2021189 -2.1136967 0.4698049 0.0985685 0.5679671 -3.2702217 4 O -1.9464316 0.2606117 0.1259788 0.2021189 -2.1136967 -0.4698049 0.0985685 -0.5679671 -3.2702217 5 O -3.2112307 0.9170436 0.3360386 0.9267430 -2.5778746 -0.5763018 0.3862467 -0.4903429 -1.5627955 6 O -3.2112307 -0.9170436 0.3360386 -0.9267430 -2.5778746 0.5763018 0.3862467 0.4903429 -1.5627955 7 O -3.2112307 0.9170436 0.3360386 0.9267430 -2.5778746 -0.5763018 0.3862467 -0.4903429 -1.5627955 8 O -3.2112307 -0.9170436 0.3360386 -0.9267430 -2.5778746 0.5763018 0.3862467 0.4903429 -1.5627955 9 Ho 4.4838125 0.0000000 0.0268892 0.0000000 3.8846250 0.0000000 0.4111315 0.0000000 4.2837270 10 Ho 4.4838125 0.0000000 0.0268892 0.0000000 3.8846250 0.0000000 0.4111315 0.0000000 4.2837270 11 Ta 5.8315120 0.0000000 -0.9509241 0.0000000 5.4985174 0.0000000 -1.3807621 0.0000000 5.3823074 12 Ta 5.8315120 0.0000000 -0.9509241 0.0000000 5.4985174 0.0000000 -1.3807621 0.0000000 5.3823074 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 13 ] 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: 301, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/432) ======================= 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 3.67e-09 3.67e-09 Number of triplets: 432 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 3.250 ( 0.000 0.000 0.000) 0.000 3.265 ( 0.000 0.000 0.000) 0.000 3.819 ( 0.000 0.000 0.000) 0.000 4.037 ( 0.000 0.000 0.000) 0.000 4.606 ( 0.000 0.000 0.000) 0.000 5.016 ( 0.000 0.000 0.000) 0.000 5.075 ( 0.000 0.000 0.000) 0.000 5.312 ( 0.000 0.000 0.000) 0.000 5.473 ( 0.000 0.000 0.000) 0.000 5.636 ( 0.000 0.000 0.000) 0.000 5.874 ( 0.000 0.000 0.000) 0.000 7.153 ( 0.000 0.000 0.000) 0.000 7.523 ( 0.000 0.000 0.000) 0.000 8.922 ( 0.000 0.000 0.000) 0.000 9.476 ( 0.000 0.000 0.000) 0.000 9.722 ( 0.000 0.000 0.000) 0.000 10.188 ( 0.000 0.000 0.000) 0.000 10.205 ( 0.000 0.000 0.000) 0.000 11.239 ( 0.000 0.000 0.000) 0.000 11.831 ( 0.000 0.000 0.000) 0.000 12.516 ( 0.000 0.000 0.000) 0.000 12.794 ( 0.000 0.000 0.000) 0.000 13.401 ( 0.000 0.000 0.000) 0.000 14.402 ( 0.000 0.000 0.000) 0.000 16.155 ( 0.000 0.000 0.000) 0.000 16.257 ( 0.000 0.000 0.000) 0.000 19.163 ( 0.000 0.000 0.000) 0.000 19.755 ( 0.000 0.000 0.000) 0.000 19.790 ( 0.000 0.000 0.000) 0.000 19.807 ( 0.000 0.000 0.000) 0.000 21.121 ( 0.000 0.000 0.000) 0.000 23.596 ( 0.000 0.000 0.000) 0.000 24.266 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/432) ======================= q-point: ( 0.09 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 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 15.882 -14.039 16.756) 27.020 0.563 ( 14.401 -26.397 13.144) 32.818 1.059 ( 43.447 -11.818 32.827) 55.722 3.239 ( -1.805 0.245 0.434) 1.872 3.295 ( 6.600 1.566 -1.806) 7.019 3.777 ( -4.413 3.349 2.080) 5.918 4.069 ( 1.768 -0.566 0.203) 1.868 4.611 ( 2.730 3.355 -1.403) 4.547 4.978 ( -3.951 4.873 -2.085) 6.611 5.074 ( -18.208 -0.266 5.242) 18.949 5.560 ( 3.488 3.290 16.266) 16.958 5.584 ( 1.006 1.248 0.539) 1.691 5.859 ( -4.593 -3.375 0.566) 5.728 6.289 ( 68.161 59.172 -31.182) 95.496 7.204 ( 7.322 -0.440 -0.973) 7.399 7.831 ( -12.973 -44.151 -22.461) 51.207 9.067 ( -10.399 -26.377 -3.431) 28.560 9.488 ( 1.559 -1.603 -0.413) 2.274 9.731 ( 4.515 10.325 2.782) 11.608 10.132 ( -4.045 -5.430 -7.925) 10.424 11.008 ( 21.637 36.481 -18.021) 46.084 11.574 ( 44.212 -1.259 -26.357) 51.487 11.941 ( -7.741 4.120 21.069) 22.821 12.494 ( -0.532 -1.834 -3.943) 4.381 13.213 ( -6.260 -62.669 -35.450) 72.272 13.416 ( 1.327 -1.974 -0.234) 2.391 14.370 ( -2.835 1.025 -1.574) 3.401 16.165 ( -5.828 2.784 -6.853) 9.417 17.826 ( -80.377 56.291 139.701) 170.721 19.312 ( -20.987 -21.938 3.880) 30.607 19.735 ( -5.461 -1.071 -1.915) 5.885 19.777 ( -4.716 -4.950 -0.388) 6.848 21.151 ( 2.789 1.433 3.234) 4.504 22.270 ( 82.317 38.790 -65.816) 112.306 23.879 ( -7.229 -43.292 -23.084) 49.591 24.275 ( -0.467 -0.730 1.381) 1.631 ======================= Grid point 2 (3/432) ======================= q-point: ( 0.18 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 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 15.464 -14.772 16.235) 26.850 1.113 ( 14.101 -23.716 13.865) 30.880 2.059 ( 40.732 -10.015 29.367) 51.204 3.209 ( -3.117 1.329 1.182) 3.588 3.342 ( 7.794 4.164 -4.237) 9.800 3.739 ( -1.984 4.551 6.185) 7.931 4.070 ( 1.011 2.549 -2.732) 3.871 4.592 ( 5.101 4.583 -5.077) 8.532 4.776 ( -11.922 5.126 -0.794) 13.001 5.005 ( -1.971 -3.103 -2.086) 4.227 5.578 ( -2.693 1.272 2.214) 3.711 5.719 ( 0.401 4.793 9.954) 11.055 5.855 ( -1.813 -4.371 3.888) 6.125 6.366 ( 33.935 25.871 -10.953) 44.055 7.284 ( 8.288 0.742 -5.572) 10.015 7.774 ( -7.507 -24.182 -13.077) 28.498 9.115 ( -6.683 -10.222 3.191) 12.622 9.547 ( 1.592 -5.100 1.833) 5.649 9.693 ( 5.673 18.377 -0.157) 19.233 10.054 ( -2.956 -7.164 -4.794) 9.113 10.829 ( 7.162 18.177 -6.400) 20.559 11.843 ( 20.578 -4.913 -7.587) 22.476 12.066 ( -2.350 -4.458 11.869) 12.895 12.466 ( 1.499 -2.687 -4.562) 5.503 13.259 ( -1.580 -27.170 -14.778) 30.970 13.477 ( 2.967 -3.493 2.790) 5.366 14.278 ( -5.285 2.108 -2.870) 6.373 15.915 ( -10.384 4.440 -12.301) 16.699 17.894 ( -34.601 27.185 68.616) 81.513 19.253 ( -3.071 -3.587 -5.057) 6.919 19.598 ( -11.068 -0.693 -2.248) 11.316 19.735 ( -6.934 -7.339 -4.536) 11.069 21.245 ( 4.343 1.582 7.207) 8.562 22.288 ( 41.051 15.923 -34.421) 55.888 23.895 ( -2.099 -19.390 -9.782) 21.819 24.291 ( -1.449 -0.782 2.453) 2.954 ======================= Grid point 3 (4/432) ======================= q-point: ( 0.27 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 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 14.663 -15.168 13.778) 25.197 1.641 ( 12.750 -20.049 15.925) 28.603 2.920 ( 34.322 -4.632 19.373) 39.683 3.166 ( -3.310 2.124 3.880) 5.525 3.319 ( 2.764 6.071 -2.421) 7.096 3.781 ( 2.375 6.717 4.334) 8.339 3.998 ( 2.768 3.138 -6.221) 7.497 4.526 ( -4.746 4.787 -2.411) 7.159 4.648 ( 1.883 -1.232 -4.337) 4.886 4.998 ( -1.902 -3.741 -0.010) 4.197 5.523 ( -7.037 5.101 3.964) 9.553 5.719 ( -7.005 -3.166 2.607) 8.117 5.987 ( 6.943 3.073 9.249) 11.966 6.494 ( 22.618 13.241 -3.903) 26.497 7.237 ( 1.678 1.702 -12.702) 12.925 7.777 ( -0.787 -18.499 -8.161) 20.235 9.093 ( -9.410 2.051 3.832) 10.365 9.560 ( 2.872 7.310 -1.634) 8.022 9.703 ( 3.864 -0.298 4.366) 5.838 10.070 ( 2.648 -0.181 2.173) 3.431 10.761 ( 2.565 0.006 -2.530) 3.603 11.964 ( 0.954 6.469 2.772) 7.102 12.230 ( 9.483 -11.207 -2.212) 14.846 12.490 ( 3.441 -3.651 -1.484) 5.232 13.287 ( -1.656 -15.967 -8.409) 18.122 13.630 ( 5.792 -5.704 7.450) 11.026 14.132 ( -7.371 3.697 -3.775) 9.069 15.563 ( -12.547 5.394 -14.952) 20.250 18.004 ( -16.816 16.355 43.058) 49.033 19.175 ( 3.760 5.190 -8.464) 10.617 19.441 ( -13.382 -4.434 0.591) 14.109 19.606 ( -7.821 -5.156 -10.086) 13.765 21.383 ( 3.570 1.458 9.069) 9.855 22.305 ( 25.615 7.418 -22.939) 35.176 23.933 ( 1.058 -11.613 -5.211) 12.773 24.299 ( -2.842 -0.104 2.953) 4.100 ======================= Grid point 4 (5/432) ======================= q-point: ( 0.36 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 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 12.700 -13.604 9.496) 20.893 2.137 ( 10.008 -16.357 17.722) 26.111 3.046 ( -2.488 6.298 -1.442) 6.924 3.211 ( 1.000 5.994 -2.829) 6.703 3.603 ( 5.943 7.863 2.530) 10.176 3.676 ( 11.719 2.369 4.983) 12.953 4.094 ( 14.032 -3.276 0.751) 14.429 4.382 ( -8.638 2.799 -0.590) 9.099 4.689 ( 5.780 -4.293 -4.011) 8.242 5.011 ( -3.465 -4.548 2.395) 6.199 5.397 ( -9.860 8.642 3.729) 13.631 5.685 ( -5.273 -4.017 1.104) 6.720 6.158 ( 8.379 4.116 7.893) 12.225 6.629 ( 13.656 6.606 -0.518) 15.179 7.048 ( -3.744 0.919 -14.263) 14.775 7.868 ( 4.097 -15.483 -5.685) 16.995 8.926 ( -11.251 10.063 2.068) 15.236 9.571 ( 6.262 5.046 0.965) 8.100 9.757 ( -2.407 -1.098 1.742) 3.168 10.171 ( 6.331 3.138 5.548) 8.984 10.860 ( 3.825 -15.071 2.194) 15.702 11.836 ( -7.868 13.049 -1.350) 15.297 12.417 ( 12.062 -5.841 -4.836) 14.248 12.576 ( 3.461 -6.381 0.877) 7.312 13.305 ( -2.272 -10.227 -2.698) 10.818 13.863 ( 5.043 -4.460 5.523) 8.708 13.958 ( -5.310 2.785 0.104) 5.997 15.184 ( -11.876 5.570 -14.535) 19.579 18.137 ( -6.578 9.492 26.303) 28.727 19.086 ( 2.913 7.505 -4.131) 9.049 19.350 ( -9.625 -5.935 1.950) 11.474 19.405 ( -6.104 -2.795 -14.056) 15.577 21.497 ( 1.544 1.633 6.931) 7.286 22.322 ( 15.121 2.930 -13.886) 20.738 23.998 ( 3.349 -7.776 -2.992) 8.979 24.282 ( -3.961 1.013 2.735) 4.919 ======================= Grid point 5 (6/432) ======================= q-point: ( 0.45 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 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 6.915 -7.348 4.063) 10.878 2.520 ( 3.343 -7.705 10.918) 13.775 2.978 ( 0.661 0.415 3.114) 3.210 3.129 ( -0.652 4.005 -7.590) 8.606 3.344 ( -5.725 10.178 -5.314) 12.830 4.011 ( 14.889 -0.763 2.715) 15.154 4.229 ( -11.930 1.359 2.892) 12.350 4.339 ( 11.594 -2.438 -0.258) 11.850 4.745 ( 2.043 -2.747 -1.706) 3.825 5.052 ( -0.148 -6.280 2.156) 6.641 5.219 ( -8.303 9.118 1.067) 12.378 5.676 ( -1.629 -1.847 0.649) 2.547 6.293 ( 4.873 2.162 3.707) 6.493 6.716 ( 4.842 2.792 0.867) 5.656 6.857 ( -3.737 -0.737 -7.774) 8.657 7.984 ( 3.511 -8.005 -2.459) 9.080 8.742 ( -5.913 6.689 0.963) 8.979 9.621 ( 3.308 2.497 1.024) 4.269 9.736 ( -2.028 -0.675 0.027) 2.138 10.256 ( 2.318 1.615 2.152) 3.551 11.147 ( 8.051 -18.737 6.602) 21.435 11.543 ( -9.653 16.518 -5.982) 20.045 12.510 ( 4.228 -0.584 -1.809) 4.636 12.682 ( 2.814 -4.260 0.145) 5.108 13.342 ( -0.691 -4.843 0.678) 4.939 13.747 ( -4.456 4.031 -2.920) 6.680 14.150 ( 5.438 -4.543 7.181) 10.089 14.872 ( -6.799 3.692 -8.528) 11.515 18.239 ( -1.222 3.281 9.191) 9.836 19.068 ( 1.615 4.963 5.553) 7.621 19.202 ( -4.268 -3.547 -12.603) 13.771 19.321 ( -2.436 -1.706 0.462) 3.009 21.550 ( 0.277 0.827 2.423) 2.575 22.337 ( 5.109 0.674 -4.610) 6.914 24.069 ( 2.748 -3.611 -1.343) 4.733 24.246 ( -2.830 1.307 1.455) 3.440 ======================= Grid point 12 (7/432) ======================= q-point: ( 0.09 0.09 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 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 21.508 -0.000 13.693) 25.497 0.905 ( 14.030 -0.000 23.119) 27.043 1.979 ( 43.623 -0.000 31.856) 54.016 3.221 ( -2.217 0.000 1.064) 2.459 3.377 ( 9.021 -0.000 -4.346) 10.013 3.776 ( -3.378 0.000 5.727) 6.649 4.093 ( 0.994 -0.000 -0.805) 1.279 4.632 ( 6.103 -0.000 -7.996) 10.059 4.840 ( -19.639 0.000 3.860) 20.014 4.961 ( 2.305 -0.000 -6.446) 6.846 5.582 ( -1.808 0.000 1.701) 2.483 5.765 ( -9.073 0.000 2.046) 9.301 5.814 ( 6.742 -0.000 12.716) 14.393 6.763 ( 30.714 -0.000 -28.977) 42.225 7.304 ( 8.530 -0.000 -1.185) 8.612 7.375 ( -4.873 0.000 -6.728) 8.307 8.988 ( -4.930 0.000 10.986) 12.042 9.521 ( 4.759 -0.000 -1.251) 4.920 9.907 ( 8.161 -0.000 3.958) 9.070 9.926 ( -5.515 0.000 -9.779) 11.227 11.074 ( -6.699 0.000 -5.693) 8.791 11.732 ( 41.248 -0.000 -30.231) 51.140 12.130 ( -5.656 0.000 17.984) 18.853 12.411 ( 0.234 -0.000 -4.231) 4.237 12.930 ( 6.550 -0.000 -3.040) 7.221 13.457 ( 1.040 -0.000 5.375) 5.475 14.298 ( -5.012 0.000 -2.851) 5.766 15.953 ( -11.061 0.000 -12.114) 16.404 18.173 ( -60.984 0.000 76.123) 97.538 19.207 ( 7.943 -0.000 -5.214) 9.501 19.617 ( -10.228 0.000 -4.007) 10.985 19.640 ( -6.147 0.000 -3.325) 6.989 21.262 ( 2.455 -0.000 9.132) 9.456 22.477 ( 44.651 -0.000 -55.944) 71.578 23.665 ( 3.869 -0.000 1.047) 4.008 24.285 ( -1.414 0.000 2.886) 3.214 ======================= Grid point 13 (8/432) ======================= q-point: ( 0.18 0.09 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 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 20.129 -7.434 12.911) 25.043 1.377 ( 12.394 -8.597 23.190) 27.664 2.865 ( 39.282 -1.644 25.234) 46.718 3.202 ( -2.623 1.463 2.160) 3.700 3.403 ( 3.696 2.992 -4.279) 6.397 3.834 ( 2.992 0.615 5.026) 5.881 4.054 ( -1.378 2.578 -3.965) 4.926 4.594 ( 2.762 2.210 -10.111) 10.712 4.640 ( -10.430 0.592 0.744) 10.473 4.934 ( 1.425 -2.951 -5.076) 6.042 5.566 ( -5.260 0.814 3.598) 6.425 5.675 ( -9.703 -1.587 3.707) 10.508 6.036 ( 7.621 1.859 11.005) 13.514 6.765 ( 19.031 16.684 -10.623) 27.448 7.239 ( -1.625 -3.258 -13.173) 13.667 7.445 ( 1.725 -15.908 -2.692) 16.226 9.058 ( -8.576 -3.156 11.955) 15.047 9.523 ( -4.037 -1.725 -3.833) 5.828 9.840 ( 9.312 3.612 -1.469) 10.096 10.051 ( 6.899 1.191 3.564) 7.856 10.875 ( -4.999 7.122 -6.286) 10.734 11.983 ( 28.838 -4.382 -13.241) 32.034 12.208 ( -5.699 9.170 15.709) 19.062 12.420 ( 2.689 -5.348 -1.856) 6.267 12.997 ( 2.854 -13.622 -8.339) 16.225 13.575 ( 3.794 -1.378 9.164) 10.013 14.178 ( -6.666 1.455 -3.604) 7.716 15.624 ( -13.549 1.831 -15.078) 20.354 18.212 ( -30.043 7.052 44.528) 54.177 19.252 ( 9.657 2.694 -6.459) 11.926 19.405 ( -12.680 0.859 -4.245) 13.400 19.517 ( -8.271 -4.884 -6.413) 11.550 21.411 ( 1.823 1.305 12.449) 12.649 22.406 ( 28.450 3.798 -36.760) 46.639 23.765 ( 4.457 -6.486 -0.168) 7.871 24.297 ( -2.755 -0.077 3.877) 4.757 ======================= Grid point 14 (9/432) ======================= q-point: ( 0.27 0.09 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 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 16.262 -7.537 12.540) 21.875 1.880 ( 11.665 -12.913 20.898) 27.194 3.146 ( -1.711 4.969 -0.698) 5.301 3.317 ( -1.464 6.016 -2.919) 6.845 3.604 ( 28.592 -1.425 16.863) 33.225 3.840 ( -5.560 9.399 -2.917) 11.303 4.021 ( 10.411 -4.156 -4.062) 11.923 4.419 ( -10.743 1.525 -2.507) 11.136 4.629 ( 6.391 -2.675 -4.986) 8.536 4.927 ( -1.629 -4.825 -2.004) 5.473 5.498 ( -8.651 3.536 3.395) 9.944 5.633 ( -6.178 -2.072 4.976) 8.199 6.224 ( 6.849 3.166 8.688) 11.507 6.765 ( 8.831 9.987 -2.937) 13.651 7.055 ( -3.270 -1.020 -15.892) 16.257 7.578 ( 2.060 -16.976 -1.547) 17.170 9.031 ( -12.453 2.855 6.598) 14.379 9.432 ( -8.392 -8.966 -2.145) 12.466 9.969 ( 13.991 13.516 1.719) 19.529 10.189 ( 8.239 -1.252 5.501) 9.986 10.745 ( -0.308 -0.493 -2.683) 2.746 12.094 ( 1.043 17.114 1.064) 17.179 12.311 ( 16.035 -5.113 -0.899) 16.854 12.497 ( 1.838 -3.797 1.887) 4.621 13.057 ( -0.595 -17.764 -5.810) 18.700 13.783 ( 7.120 -3.655 10.516) 13.215 14.021 ( -7.537 3.208 -3.676) 8.978 15.253 ( -13.209 2.654 -15.147) 20.272 18.270 ( -13.120 5.886 24.730) 28.606 19.196 ( -9.335 2.222 -1.461) 9.706 19.257 ( -1.799 -0.752 -5.482) 5.818 19.382 ( 0.481 -1.291 -9.022) 9.127 21.546 ( 0.003 3.467 11.842) 12.339 22.347 ( 18.510 0.263 -25.426) 31.451 23.878 ( 5.305 -5.817 -0.236) 7.876 24.296 ( -4.066 0.617 4.289) 5.942 ======================= Grid point 15 (10/432) ======================= q-point: ( 0.36 0.09 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 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 12.956 -5.672 9.037) 16.784 2.342 ( 7.762 -11.839 17.965) 22.873 3.047 ( -3.760 6.274 -0.664) 7.345 3.189 ( -3.496 3.658 -5.530) 7.495 3.564 ( -9.279 14.017 -7.089) 18.244 4.000 ( 16.408 -0.019 0.053) 16.408 4.208 ( -4.460 -5.560 3.240) 7.829 4.277 ( 7.007 -2.866 -5.887) 9.590 4.712 ( 6.255 -1.249 0.944) 6.448 4.930 ( -2.799 -7.390 -0.383) 7.912 5.355 ( -9.435 6.324 0.292) 11.363 5.659 ( -1.176 -0.237 6.008) 6.126 6.333 ( 1.532 2.480 3.322) 4.420 6.731 ( -2.814 -0.038 -4.455) 5.269 6.880 ( 0.758 2.601 -6.344) 6.898 7.760 ( 3.513 -16.197 2.435) 16.752 8.862 ( -11.986 6.545 1.295) 13.718 9.397 ( -10.073 -13.876 -0.902) 17.170 9.981 ( 6.052 14.239 -0.147) 15.472 10.330 ( 8.142 6.701 0.577) 10.561 10.888 ( 10.237 -12.056 7.013) 17.301 11.881 ( -4.568 23.433 -2.343) 23.989 12.497 ( 5.454 -0.738 -0.895) 5.576 12.609 ( 9.268 -4.213 1.898) 10.356 13.158 ( -1.433 -16.219 0.676) 16.297 13.836 ( -5.308 5.325 -3.572) 8.324 14.058 ( 7.769 -5.646 8.769) 13.005 14.921 ( -9.937 2.092 -11.101) 15.045 18.291 ( -4.739 2.766 4.593) 7.156 19.086 ( -11.288 -7.193 -1.984) 13.531 19.131 ( -5.937 2.293 3.496) 7.262 19.377 ( 12.134 5.381 -6.872) 14.947 21.606 ( -1.391 5.360 6.922) 8.865 22.314 ( 9.058 -3.143 -14.925) 17.739 23.995 ( 5.743 -4.377 0.242) 7.225 24.276 ( -4.495 1.793 4.095) 6.339 ======================= Grid point 16 (11/432) ======================= q-point: (-0.55 0.09 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 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 4.827 3.400 1.525) 6.098 2.577 ( -1.463 -0.288 2.536) 2.942 3.023 ( -5.260 2.396 -5.641) 8.076 3.042 ( 0.184 -3.477 6.813) 7.652 3.303 ( -3.811 5.545 -3.040) 7.383 4.010 ( -12.381 -1.249 -5.049) 13.429 4.195 ( 9.725 -2.368 -2.639) 10.351 4.339 ( -4.357 -1.697 -4.203) 6.287 4.797 ( 2.205 3.144 3.390) 5.122 5.004 ( 2.734 -11.213 -0.635) 11.559 5.189 ( -1.430 5.058 -5.301) 7.465 5.719 ( 2.113 3.047 4.683) 5.973 6.268 ( -8.277 -0.502 -3.849) 9.142 6.640 ( -8.060 -5.621 -2.286) 10.089 6.895 ( 4.280 2.903 5.401) 7.478 7.968 ( 1.044 -9.523 7.414) 12.114 8.691 ( -5.577 1.240 -2.276) 6.150 9.368 ( -10.808 -14.894 -1.389) 18.454 9.918 ( 0.671 6.902 -2.032) 7.226 10.323 ( 5.991 11.008 -4.035) 13.166 11.268 ( 13.963 -11.339 9.694) 20.433 11.568 ( -3.704 25.823 -4.469) 26.468 12.514 ( -3.448 -0.157 2.717) 4.393 12.746 ( 5.393 3.171 1.174) 6.366 13.289 ( -0.057 -10.797 2.544) 11.093 13.739 ( 1.857 2.688 -0.258) 3.277 14.190 ( -0.172 0.182 -4.347) 4.354 14.806 ( 1.670 -3.806 4.391) 6.046 18.186 ( -2.883 -2.935 -14.053) 14.643 18.972 ( -6.967 -5.767 -2.083) 9.281 19.206 ( -1.050 -0.435 15.052) 15.095 19.427 ( 13.593 7.604 -4.743) 16.281 21.584 ( -1.735 4.818 0.920) 5.203 22.291 ( -1.116 -4.801 -4.975) 7.003 24.093 ( 3.423 -0.789 1.380) 3.774 24.251 ( -2.073 1.881 2.781) 3.946 ======================= Grid point 17 (12/432) ======================= q-point: (-0.45 0.09 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 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -7.846 15.368 -7.025) 18.630 2.385 ( -8.509 12.114 -13.316) 19.912 2.958 ( 0.384 -3.540 2.540) 4.373 3.125 ( -4.202 -4.328 2.451) 6.511 3.405 ( 5.468 -11.330 7.411) 14.601 3.723 ( -17.086 3.777 -10.578) 20.447 4.121 ( -13.561 0.692 -6.514) 15.060 4.331 ( 6.629 -3.144 0.916) 7.394 4.766 ( -5.417 4.690 1.946) 7.425 5.062 ( 2.422 0.158 -3.660) 4.392 5.219 ( 10.253 -10.895 -6.401) 16.273 5.762 ( 3.776 5.039 2.033) 6.617 6.102 ( -9.510 -2.339 -5.351) 11.159 6.522 ( -16.820 -6.722 0.309) 18.116 7.039 ( 4.367 0.044 10.756) 11.609 8.052 ( -5.545 5.223 9.395) 12.095 8.713 ( 6.062 -13.330 -3.157) 14.980 9.331 ( -11.481 -14.258 -0.871) 18.326 9.861 ( -0.851 -1.019 -2.837) 3.132 10.213 ( 2.550 12.376 -7.855) 14.878 11.241 ( -1.634 29.066 -0.920) 29.126 11.648 ( 13.007 -9.866 4.364) 16.899 12.482 ( -7.290 2.101 5.700) 9.489 12.712 ( -2.654 9.151 0.159) 9.529 13.375 ( 1.812 -2.392 2.037) 3.627 13.853 ( 9.076 -2.350 4.835) 10.549 14.005 ( -6.414 5.145 -10.695) 13.490 15.068 ( 10.128 -8.031 13.617) 18.775 17.972 ( -1.003 -9.592 -27.601) 29.237 18.976 ( -2.879 -5.416 5.721) 8.388 19.391 ( 6.977 1.021 8.422) 10.985 19.511 ( 11.617 7.362 2.922) 14.061 21.506 ( -2.642 2.919 -3.878) 5.526 22.247 ( -11.097 -5.965 3.373) 13.042 24.116 ( -0.834 5.621 4.452) 7.219 24.268 ( 2.804 -0.314 -0.234) 2.831 ======================= Grid point 18 (13/432) ======================= q-point: (-0.36 0.09 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 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -10.937 19.092 -13.362) 25.742 1.969 ( -12.659 17.679 -11.120) 24.422 2.973 ( -15.988 -0.033 -4.076) 16.499 3.131 ( -2.119 -4.359 -0.287) 4.855 3.286 ( -6.905 6.669 -10.535) 14.253 3.620 ( -0.355 -11.563 -0.308) 11.573 3.945 ( -8.077 -3.510 3.329) 9.414 4.451 ( 5.049 -4.015 0.501) 6.470 4.672 ( -5.670 1.449 1.338) 6.004 5.048 ( 3.088 2.064 -3.357) 5.006 5.375 ( 7.675 -12.527 -5.940) 15.847 5.764 ( 0.214 2.093 -2.744) 3.458 5.967 ( -2.634 1.089 -3.460) 4.483 6.321 ( -24.948 -8.242 2.136) 26.361 7.207 ( 0.071 -1.504 10.755) 10.860 8.017 ( -2.776 10.161 8.756) 13.697 8.933 ( 9.046 -16.945 -1.466) 19.265 9.294 ( -11.601 -14.493 0.712) 18.578 9.846 ( 0.126 -2.276 -3.268) 3.984 10.039 ( -0.379 8.148 -6.840) 10.645 11.000 ( -0.204 26.499 1.624) 26.549 11.868 ( 8.094 -4.823 -2.294) 9.697 12.413 ( -8.244 7.703 6.828) 13.188 12.576 ( -4.609 7.971 -0.436) 9.218 13.446 ( 4.760 3.086 3.108) 6.469 13.759 ( -7.156 7.772 -3.625) 11.169 14.070 ( 9.528 -2.899 4.908) 11.103 15.445 ( 11.232 -8.624 14.482) 20.255 17.716 ( 3.102 -16.649 -39.467) 42.947 19.102 ( 2.153 -3.382 10.126) 10.891 19.524 ( 13.215 4.951 -2.200) 14.282 19.688 ( 8.112 4.653 11.688) 14.969 21.379 ( -4.895 1.282 -6.523) 8.256 22.173 ( -20.780 -8.258 9.820) 24.422 24.113 ( 0.865 9.337 7.325) 11.899 24.300 ( 2.894 0.051 -1.521) 3.269 ======================= Grid point 19 (14/432) ======================= q-point: (-0.27 0.09 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 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -11.427 20.927 -14.883) 28.107 1.511 ( -14.661 21.074 -10.122) 27.595 2.329 ( -31.019 21.625 -20.045) 42.797 3.177 ( 1.992 -3.176 0.194) 3.754 3.255 ( -2.528 -4.670 1.795) 5.606 3.622 ( -0.647 -9.131 -6.794) 11.400 4.010 ( -1.787 -4.740 6.742) 8.433 4.501 ( -2.730 -5.405 -0.894) 6.121 4.697 ( 4.385 -4.453 2.894) 6.888 5.043 ( 2.410 1.401 -0.936) 2.941 5.477 ( 3.602 -11.495 -8.089) 14.510 5.664 ( -5.682 -0.697 -5.167) 7.712 5.942 ( 4.877 5.216 -1.238) 7.247 6.066 ( -31.648 -10.876 4.847) 33.814 7.274 ( -5.737 -0.291 5.923) 8.251 8.045 ( 4.404 9.718 9.527) 14.304 9.143 ( 5.529 -8.420 1.248) 10.150 9.314 ( -8.290 -21.235 0.750) 22.808 9.761 ( 3.254 12.271 -5.766) 13.943 10.017 ( -2.187 -9.318 3.762) 10.284 10.821 ( -2.224 19.752 3.284) 20.146 11.868 ( -0.830 1.262 -8.952) 9.079 12.272 ( -5.517 14.652 1.691) 15.747 12.500 ( -2.994 1.981 3.374) 4.927 13.465 ( 3.533 2.943 -6.762) 8.177 13.694 ( -0.771 13.531 20.999) 24.993 14.249 ( 7.122 -0.141 5.020) 8.714 15.808 ( 9.117 -8.252 12.586) 17.596 17.436 ( 8.142 -24.807 -55.346) 61.196 19.299 ( 10.435 1.982 8.580) 13.654 19.635 ( 11.732 3.297 -0.869) 12.217 19.857 ( 7.517 6.961 7.132) 12.483 21.226 ( -6.730 -0.394 -5.121) 8.466 22.052 ( -31.522 -12.052 14.024) 36.545 24.165 ( 5.174 12.161 11.503) 17.521 24.308 ( 1.648 1.061 -1.291) 2.348 ======================= Grid point 20 (15/432) ======================= q-point: (-0.18 0.09 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 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -9.382 23.755 -12.111) 28.266 0.982 ( -19.703 20.093 -14.351) 31.590 1.502 ( -22.206 38.216 -15.226) 46.748 3.216 ( -1.407 -4.008 0.534) 4.281 3.258 ( -1.854 -1.092 0.577) 2.228 3.667 ( 2.989 -9.524 -2.810) 10.370 4.065 ( -0.781 -1.268 2.108) 2.581 4.512 ( -2.469 -7.736 -0.170) 8.122 4.861 ( 6.606 -7.834 1.330) 10.333 5.073 ( 4.398 -0.459 -0.614) 4.464 5.432 ( -3.375 -10.348 -17.614) 20.705 5.564 ( -12.403 -1.407 6.025) 13.860 5.785 ( -30.388 -9.564 4.519) 32.176 5.947 ( 3.552 6.222 -0.062) 7.165 7.220 ( -6.140 1.556 1.499) 6.509 8.168 ( 8.153 7.209 8.923) 14.073 9.282 ( 2.883 -3.521 8.043) 9.241 9.426 ( -3.180 -22.542 -2.212) 22.872 9.693 ( 12.251 14.042 -0.679) 18.647 10.142 ( -6.254 -11.322 9.497) 16.047 10.669 ( -10.062 9.955 4.554) 14.869 11.641 ( -8.791 7.011 -12.505) 16.817 12.093 ( -2.214 15.013 -1.311) 15.232 12.508 ( -0.788 0.442 2.808) 2.950 13.412 ( 1.309 0.608 -3.872) 4.132 13.969 ( 9.629 17.676 42.156) 46.715 14.384 ( 6.189 6.018 9.808) 13.065 16.083 ( 4.207 -6.600 8.632) 11.652 17.040 ( 9.468 -32.684 -83.295) 89.978 19.539 ( 23.590 7.733 2.271) 24.928 19.747 ( 6.349 0.795 1.684) 6.617 19.909 ( 4.887 8.965 -0.750) 10.238 21.122 ( -5.076 -1.580 -0.007) 5.316 21.843 ( -44.154 -15.034 15.963) 49.299 24.280 ( 2.876 3.352 1.643) 4.712 24.346 ( 8.322 11.127 16.290) 21.411 ======================= Grid point 21 (16/432) ======================= q-point: (-0.09 0.09 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 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 0.000 25.063 -0.000) 25.063 0.486 ( 0.000 28.664 -0.000) 28.664 0.875 ( 0.000 51.281 -0.000) 51.281 3.235 ( -0.000 -3.612 0.000) 3.612 3.253 ( 0.000 0.479 -0.000) 0.479 3.753 ( -0.000 -7.599 0.000) 7.599 4.089 ( -0.000 -1.097 0.000) 1.097 4.553 ( -0.000 -6.075 0.000) 6.075 4.961 ( -0.000 -5.731 0.000) 5.731 5.082 ( 0.000 0.245 -0.000) 0.245 5.289 ( -0.000 -2.827 0.000) 2.827 5.459 ( -0.000 -1.304 0.000) 1.304 5.645 ( 0.000 1.028 -0.000) 1.028 5.924 ( 0.000 5.205 -0.000) 5.205 7.167 ( 0.000 1.630 -0.000) 1.630 8.276 ( 0.000 0.964 -0.000) 0.964 9.420 ( -0.000 -6.412 0.000) 6.412 9.558 ( -0.000 -17.851 0.000) 17.851 10.047 ( -0.000 -16.942 0.000) 16.942 10.074 ( 0.000 0.627 -0.000) 0.627 10.416 ( 0.000 20.825 -0.000) 20.825 11.357 ( 0.000 12.348 -0.000) 12.348 11.951 ( 0.000 12.783 -0.000) 12.783 12.518 ( 0.000 0.166 -0.000) 0.166 13.399 ( -0.000 -0.156 0.000) 0.156 14.337 ( -0.000 -7.323 0.000) 7.323 14.770 ( 0.000 1.618 -0.000) 1.618 16.165 ( 0.000 1.168 -0.000) 1.168 16.411 ( -0.000 -8.321 0.000) 8.321 19.789 ( 0.000 0.137 -0.000) 0.137 19.812 ( 0.000 6.573 -0.000) 6.573 19.823 ( 0.000 1.600 -0.000) 1.600 21.115 ( -0.000 -0.785 0.000) 0.785 21.583 ( -0.000 -3.543 0.000) 3.543 24.275 ( 0.000 1.107 -0.000) 1.107 24.586 ( -0.000 -0.485 0.000) 0.485 ======================= Grid point 24 (17/432) ======================= q-point: ( 0.18 0.18 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 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 19.600 -0.000 13.528) 23.816 1.755 ( 10.751 -0.000 22.848) 25.251 3.191 ( -1.155 0.000 -0.492) 1.256 3.378 ( -3.272 0.000 -3.229) 4.597 3.589 ( 31.998 -0.000 17.867) 36.648 3.907 ( -0.080 0.000 -0.085) 0.117 3.999 ( 2.644 -0.000 -5.512) 6.114 4.431 ( -12.348 0.000 -4.599) 13.176 4.605 ( 6.559 -0.000 -5.087) 8.300 4.880 ( 0.113 -0.000 -4.480) 4.481 5.526 ( -7.940 0.000 3.425) 8.647 5.615 ( -6.496 0.000 6.953) 9.515 6.252 ( 6.440 -0.000 8.491) 10.657 6.920 ( 10.488 -0.000 -9.422) 14.098 6.996 ( -8.513 0.000 -10.912) 13.840 7.408 ( 2.682 -0.000 0.377) 2.708 9.048 ( -12.028 0.000 10.510) 15.973 9.358 ( -8.699 0.000 -4.996) 10.031 10.089 ( 19.967 -0.000 6.661) 21.049 10.171 ( 4.207 -0.000 0.781) 4.279 10.755 ( -3.687 0.000 -5.828) 6.896 12.232 ( 26.476 -0.000 -5.822) 27.109 12.393 ( -6.831 0.000 19.112) 20.296 12.397 ( 5.207 -0.000 -3.727) 6.403 12.847 ( -0.079 0.000 -10.918) 10.918 13.752 ( 6.513 -0.000 10.945) 12.736 14.049 ( -7.379 0.000 -3.750) 8.277 15.275 ( -13.736 0.000 -15.389) 20.627 18.321 ( -15.688 0.000 24.230) 28.865 19.176 ( -12.478 0.000 -4.292) 13.195 19.303 ( -11.047 0.000 -3.908) 11.718 19.359 ( 13.535 -0.000 -8.024) 15.735 21.581 ( -1.110 0.000 15.073) 15.114 22.345 ( 20.143 -0.000 -31.527) 37.413 23.826 ( 6.314 -0.000 1.307) 6.447 24.302 ( -4.063 0.000 4.866) 6.339 ======================= Grid point 25 (18/432) ======================= q-point: ( 0.27 0.18 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 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 14.978 -0.072 13.057) 19.871 2.172 ( 10.448 -7.328 19.248) 23.094 3.137 ( -2.801 3.320 -2.282) 4.907 3.244 ( -7.749 2.285 -4.802) 9.398 3.757 ( -11.929 7.225 -3.336) 14.340 4.025 ( 15.874 2.882 -2.037) 16.261 4.089 ( 7.889 -6.165 -0.014) 10.012 4.233 ( -1.325 -2.681 -8.677) 9.177 4.699 ( 8.010 -0.289 3.922) 8.924 4.830 ( -3.393 -3.652 -3.049) 5.844 5.425 ( -9.499 2.036 0.360) 9.721 5.662 ( -0.901 0.246 9.280) 9.327 6.369 ( 0.181 1.331 3.886) 4.111 6.738 ( -8.838 0.777 -10.929) 14.077 6.916 ( 2.620 1.201 -4.372) 5.237 7.528 ( 3.586 -8.843 6.130) 11.342 8.944 ( -14.303 2.858 3.872) 15.091 9.231 ( -7.921 -5.447 -2.083) 9.836 10.131 ( -3.986 3.947 -3.653) 6.694 10.453 ( 20.642 6.063 7.143) 22.669 10.736 ( 6.398 -5.784 0.244) 8.629 12.298 ( 0.936 23.917 1.661) 23.993 12.491 ( 5.936 -0.175 0.431) 5.955 12.552 ( 12.376 -2.041 4.957) 13.487 12.828 ( -1.619 -21.045 -3.395) 21.378 13.904 ( -6.162 2.377 -3.089) 7.292 13.985 ( 8.268 -2.573 9.384) 12.769 14.943 ( -11.303 0.567 -12.432) 16.812 18.326 ( -6.895 1.186 1.795) 7.223 18.994 ( -10.563 -3.044 -2.548) 11.285 19.157 ( -9.082 0.811 5.225) 10.509 19.449 ( 14.424 2.435 -7.458) 16.419 21.697 ( -4.026 4.047 13.420) 14.584 22.253 ( 13.071 -2.949 -24.931) 28.304 23.940 ( 6.937 -1.842 1.686) 7.372 24.298 ( -4.768 0.698 5.342) 7.194 ======================= Grid point 26 (19/432) ======================= q-point: ( 0.36 0.18 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 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 11.529 1.175 7.229) 13.658 2.524 ( 3.809 -5.290 12.135) 13.775 3.023 ( -5.903 2.489 -0.215) 6.410 3.069 ( -6.133 1.292 -5.605) 8.408 3.458 ( -11.851 10.301 -5.531) 16.647 3.961 ( -12.015 -4.361 -7.312) 14.726 4.153 ( 10.057 -2.205 -3.383) 10.838 4.316 ( 6.079 -0.509 -5.772) 8.398 4.799 ( 0.117 -7.762 -3.424) 8.485 4.858 ( 2.700 -0.134 6.056) 6.632 5.263 ( -5.107 3.150 -6.373) 8.753 5.769 ( 2.478 2.544 8.647) 9.348 6.287 ( -10.812 2.895 -1.855) 11.345 6.538 ( -9.965 -6.352 -5.944) 13.228 6.937 ( 3.625 1.890 3.542) 5.410 7.761 ( 4.104 -11.809 9.687) 15.816 8.744 ( -12.645 3.530 -1.420) 13.205 9.175 ( -7.426 -7.927 -0.538) 10.875 9.959 ( -8.814 0.121 -6.828) 11.150 10.567 ( 10.455 15.289 -2.269) 18.660 11.073 ( 17.949 -11.412 9.405) 23.256 12.062 ( -0.244 31.179 -0.822) 31.191 12.508 ( -3.252 -0.287 3.468) 4.762 12.786 ( 12.589 1.521 1.890) 12.821 13.015 ( -0.421 -21.244 4.070) 21.634 13.795 ( -1.207 2.948 -1.196) 3.403 14.170 ( 4.800 -1.875 -1.210) 5.294 14.754 ( -3.137 -2.270 -0.154) 3.876 18.146 ( -6.249 -1.701 -17.517) 18.676 18.893 ( -6.687 -3.384 0.573) 7.516 19.206 ( -1.275 0.292 15.135) 15.192 19.530 ( 14.119 4.296 -6.208) 16.011 21.698 ( -4.499 7.972 5.913) 10.898 22.185 ( 3.713 -7.225 -14.716) 16.809 24.066 ( 6.415 -1.622 2.021) 6.919 24.287 ( -4.147 1.844 5.257) 6.945 ======================= Grid point 27 (20/432) ======================= q-point: (-0.55 0.18 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 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( -0.814 12.104 -5.296) 13.237 2.524 ( -6.410 4.661 -6.392) 10.181 2.931 ( -4.942 -0.295 2.571) 5.578 3.056 ( -5.607 -4.229 4.724) 8.465 3.278 ( 0.575 -2.560 0.906) 2.776 3.747 ( -12.164 -1.827 -7.214) 14.259 4.164 ( -7.440 5.246 -9.784) 13.364 4.282 ( 4.894 -2.166 1.459) 5.547 4.833 ( -4.128 2.062 -0.978) 4.717 4.913 ( 0.753 -13.899 -1.463) 13.996 5.154 ( 6.181 0.613 -10.475) 12.178 5.851 ( 2.206 5.443 4.809) 7.591 6.085 ( -10.077 0.462 -3.353) 10.630 6.396 ( -17.948 -8.339 0.197) 19.792 7.048 ( 4.410 0.778 7.914) 9.094 8.013 ( 0.871 -8.455 11.498) 14.299 8.569 ( -5.365 -3.013 -4.929) 7.884 9.146 ( -7.296 -7.833 0.543) 10.718 9.778 ( -9.229 -5.759 -7.375) 13.143 10.481 ( 4.985 16.005 -6.959) 18.150 11.492 ( 17.099 -8.381 7.370) 20.419 11.790 ( 1.537 34.607 0.786) 34.650 12.500 ( -5.966 0.375 5.778) 8.314 12.857 ( 1.538 7.484 0.646) 7.668 13.222 ( 1.023 -15.394 4.266) 16.007 13.843 ( 9.100 0.767 3.492) 9.777 14.069 ( -4.339 2.343 -11.771) 12.762 14.929 ( 8.140 -7.922 12.340) 16.772 17.834 ( -6.589 -6.494 -27.679) 29.184 18.906 ( -1.084 -2.940 6.566) 7.275 19.409 ( 6.426 1.138 13.726) 15.198 19.614 ( 12.238 4.514 -2.630) 13.307 21.595 ( -4.149 7.528 -1.866) 8.795 22.124 ( -6.640 -8.541 -5.029) 11.930 24.169 ( 3.961 0.834 3.120) 5.111 24.285 ( -1.235 2.158 3.945) 4.663 ======================= Grid point 28 (21/432) ======================= q-point: (-0.45 0.18 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 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -7.655 18.498 -13.224) 23.993 2.214 ( -13.261 11.528 -8.836) 19.668 2.937 ( -6.971 -2.960 1.946) 7.819 3.038 ( -3.518 -5.278 1.816) 6.598 3.420 ( 0.214 -11.783 0.562) 11.799 3.489 ( -7.005 12.781 -8.308) 16.776 3.900 ( -10.875 0.230 -1.670) 11.005 4.389 ( 4.436 -3.394 0.955) 5.666 4.692 ( -7.650 0.770 -3.577) 8.479 5.034 ( 2.696 -8.022 -2.490) 8.822 5.155 ( 6.293 -8.655 -9.162) 14.087 5.799 ( -6.290 2.504 -1.941) 7.043 6.005 ( 2.102 2.601 -0.683) 3.413 6.195 ( -24.797 -7.200 2.840) 25.977 7.193 ( 2.156 -0.190 9.110) 9.363 8.122 ( -4.964 2.378 9.264) 10.776 8.612 ( 5.486 -17.945 -4.325) 19.256 9.122 ( -7.702 -6.862 1.840) 10.478 9.665 ( -8.158 -12.265 -5.622) 15.767 10.299 ( 2.262 16.131 -8.046) 18.168 11.544 ( 2.895 35.911 2.712) 36.129 11.797 ( 12.670 -3.613 1.831) 13.302 12.475 ( -6.924 1.283 6.354) 9.485 12.748 ( -4.327 10.682 -1.063) 11.574 13.403 ( 3.946 -8.444 4.159) 10.206 13.842 ( -5.675 2.557 -9.520) 11.374 14.058 ( 11.983 1.090 8.001) 14.450 15.282 ( 10.182 -10.329 13.350) 19.713 17.476 ( -5.392 -11.455 -34.786) 37.018 19.060 ( 5.599 -1.770 11.440) 12.859 19.602 ( 12.432 4.443 0.376) 13.207 19.753 ( 8.531 2.706 9.865) 13.320 21.431 ( -5.721 5.069 -5.968) 9.698 22.028 ( -15.693 -8.977 0.664) 18.092 24.234 ( 2.184 4.582 6.341) 8.123 24.306 ( 1.853 1.191 0.942) 2.396 ======================= Grid point 29 (22/432) ======================= q-point: (-0.36 0.18 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 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -9.002 21.584 -13.628) 27.068 1.806 ( -16.209 14.860 -10.503) 24.369 2.698 ( -18.687 17.794 -5.822) 26.453 3.071 ( -4.260 -8.113 2.182) 9.420 3.275 ( 4.591 8.723 -3.954) 10.620 3.445 ( -2.281 -11.490 -7.572) 13.949 3.914 ( -3.035 -6.314 9.687) 11.955 4.427 ( -1.577 -3.369 -4.803) 6.075 4.622 ( -0.624 -4.502 1.374) 4.748 5.051 ( 1.881 -0.635 -3.138) 3.713 5.237 ( 2.191 -15.915 -8.163) 18.020 5.668 ( -8.034 0.631 -1.256) 8.156 5.918 ( -19.791 -5.832 -2.676) 20.806 6.044 ( -0.541 4.482 4.124) 6.115 7.279 ( -2.302 1.054 6.118) 6.622 8.144 ( -0.284 2.858 7.194) 7.746 8.824 ( 5.403 -22.895 -4.079) 23.875 9.113 ( -6.476 -6.652 3.961) 10.093 9.631 ( -8.930 -17.007 -3.417) 19.510 10.135 ( 4.023 14.503 -3.404) 15.431 11.319 ( 2.560 35.685 4.081) 36.009 11.903 ( 5.379 2.604 -5.547) 8.153 12.444 ( -5.030 3.376 4.821) 7.742 12.582 ( -4.412 9.633 -0.868) 10.631 13.498 ( 3.270 0.543 -6.242) 7.068 13.760 ( -1.958 -3.793 9.067) 10.022 14.294 ( 10.794 4.439 11.077) 16.091 15.642 ( 8.317 -11.359 11.807) 18.374 17.097 ( -3.721 -15.412 -42.456) 45.320 19.324 ( 12.949 1.112 12.363) 17.937 19.698 ( 10.944 3.947 -2.892) 11.988 19.962 ( 8.490 5.360 10.311) 14.392 21.239 ( -8.012 2.143 -5.562) 9.986 21.871 ( -23.265 -9.872 2.695) 25.416 24.315 ( 3.633 6.155 7.583) 10.420 24.324 ( 2.368 0.916 0.957) 2.714 ======================= Grid point 30 (23/432) ======================= q-point: (-0.27 0.18 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 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -8.888 22.947 -12.265) 27.496 1.305 ( -15.955 20.030 -10.632) 27.727 2.170 ( -11.843 38.206 -4.687) 40.273 3.105 ( -4.361 -8.517 1.397) 9.670 3.273 ( 3.513 3.016 -0.954) 4.727 3.471 ( 1.028 -13.408 -4.103) 14.060 4.027 ( -1.291 -3.261 6.054) 6.996 4.376 ( -2.682 -7.776 -3.798) 9.060 4.729 ( 3.633 -7.805 1.894) 8.815 5.057 ( 1.127 -1.632 -0.794) 2.136 5.248 ( -2.179 -11.808 -10.692) 16.078 5.537 ( -16.555 -1.699 4.695) 17.292 5.714 ( -8.281 -1.772 -2.346) 8.788 6.049 ( 2.308 5.566 0.982) 6.105 7.259 ( -3.998 3.117 2.090) 5.484 8.229 ( 3.690 0.930 5.057) 6.329 9.019 ( 1.207 -24.048 -3.916) 24.395 9.172 ( -1.377 -7.583 5.338) 9.375 9.622 ( -8.314 -17.897 -2.943) 19.951 10.110 ( 4.940 8.234 3.934) 10.377 11.100 ( 1.164 34.135 4.109) 34.401 11.784 ( -1.425 9.287 -9.193) 13.144 12.343 ( -2.847 13.177 -0.148) 13.482 12.513 ( -1.565 0.697 2.051) 2.672 13.429 ( 0.627 1.452 -4.832) 5.084 13.975 ( 2.763 -9.267 12.628) 15.905 14.539 ( 10.082 8.308 19.735) 23.667 15.941 ( 3.914 -10.672 10.360) 15.380 16.659 ( -3.398 -14.761 -50.194) 52.429 19.635 ( 18.896 4.270 8.290) 21.072 19.768 ( 6.142 1.749 -0.675) 6.421 20.064 ( 4.383 9.556 1.940) 10.691 21.101 ( -5.920 -0.926 0.155) 5.994 21.648 ( -26.091 -9.739 1.939) 27.916 24.316 ( 0.840 1.937 -0.649) 2.209 24.458 ( 5.853 3.236 9.734) 11.810 ======================= Grid point 31 (24/432) ======================= q-point: (-0.18 0.18 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 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 0.000 24.493 -0.000) 24.493 0.955 ( 0.000 27.120 -0.000) 27.120 1.701 ( 0.000 46.592 -0.000) 46.592 3.145 ( -0.000 -7.017 0.000) 7.017 3.270 ( 0.000 1.828 -0.000) 1.828 3.576 ( -0.000 -13.117 0.000) 13.117 4.067 ( -0.000 -1.416 0.000) 1.416 4.417 ( -0.000 -9.652 0.000) 9.652 4.840 ( -0.000 -8.374 0.000) 8.374 5.074 ( -0.000 -1.364 0.000) 1.364 5.214 ( -0.000 -6.151 0.000) 6.151 5.437 ( -0.000 -1.261 0.000) 1.261 5.663 ( 0.000 0.760 -0.000) 0.760 6.023 ( 0.000 6.016 -0.000) 6.016 7.208 ( 0.000 3.387 -0.000) 3.387 8.290 ( 0.000 0.290 -0.000) 0.290 9.196 ( -0.000 -23.534 0.000) 23.534 9.283 ( -0.000 -9.084 0.000) 9.084 9.710 ( -0.000 -21.414 0.000) 21.414 10.131 ( 0.000 5.129 -0.000) 5.129 10.857 ( 0.000 31.421 -0.000) 31.421 11.591 ( 0.000 14.234 -0.000) 14.234 12.199 ( 0.000 15.336 -0.000) 15.336 12.518 ( -0.000 -0.217 0.000) 0.217 13.400 ( 0.000 0.362 -0.000) 0.362 14.173 ( -0.000 -11.981 0.000) 11.981 14.794 ( 0.000 1.093 -0.000) 1.093 16.192 ( 0.000 1.936 -0.000) 1.936 16.217 ( -0.000 -14.384 0.000) 14.384 19.797 ( 0.000 0.792 -0.000) 0.792 19.856 ( 0.000 2.202 -0.000) 2.202 19.964 ( 0.000 11.171 -0.000) 11.171 21.096 ( -0.000 -1.398 0.000) 1.398 21.498 ( -0.000 -6.473 0.000) 6.473 24.301 ( 0.000 1.844 -0.000) 1.844 24.574 ( -0.000 -0.930 0.000) 0.930 ======================= Grid point 36 (25/432) ======================= q-point: ( 0.27 0.27 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 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 11.905 -0.000 8.905) 14.867 2.451 ( 7.381 -0.000 15.109) 16.816 3.064 ( -10.984 0.000 -4.830) 11.999 3.071 ( -4.009 0.000 -3.843) 5.553 3.565 ( -15.637 0.000 -3.961) 16.131 3.906 ( -12.043 0.000 -8.628) 14.814 4.135 ( 11.380 -0.000 -5.548) 12.661 4.315 ( 13.038 -0.000 -5.046) 13.981 4.712 ( -5.509 0.000 -4.036) 6.829 4.869 ( 4.649 -0.000 6.691) 8.147 5.290 ( -6.034 0.000 -6.957) 9.209 5.792 ( 2.620 -0.000 10.136) 10.469 6.335 ( -12.147 0.000 4.134) 12.831 6.462 ( -10.756 0.000 -12.868) 16.772 6.953 ( 3.436 -0.000 2.819) 4.444 7.652 ( 5.205 -0.000 10.749) 11.943 8.778 ( -14.988 0.000 -0.858) 15.013 9.107 ( -5.584 0.000 -0.211) 5.588 9.958 ( -10.959 0.000 -8.475) 13.854 10.749 ( 4.826 -0.000 -3.501) 5.962 10.927 ( 24.678 -0.000 10.954) 27.000 12.470 ( 3.670 -0.000 -1.632) 4.017 12.595 ( -0.869 0.000 -5.040) 5.114 12.602 ( -4.516 0.000 14.241) 14.940 12.801 ( 14.735 -0.000 3.172) 15.072 13.821 ( -2.481 0.000 -1.119) 2.722 14.151 ( 6.517 -0.000 0.085) 6.518 14.734 ( -4.881 0.000 -2.118) 5.321 18.131 ( -7.535 0.000 -18.725) 20.184 18.864 ( -6.003 0.000 1.469) 6.180 19.210 ( -1.646 0.000 15.453) 15.540 19.567 ( 14.032 -0.000 -6.969) 15.667 21.789 ( -8.681 0.000 13.498) 16.048 22.101 ( 8.703 -0.000 -24.075) 25.599 24.051 ( 7.073 -0.000 2.475) 7.493 24.304 ( -4.465 0.000 5.940) 7.431 ======================= Grid point 37 (26/432) ======================= q-point: (-0.64 0.27 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 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 0.003 1.024 -2.424) 2.632 2.600 ( 0.922 4.319 -1.306) 4.605 2.924 ( -6.767 -0.672 3.416) 7.610 3.000 ( -4.844 -1.721 3.550) 6.248 3.299 ( -10.913 2.695 -5.352) 12.450 3.687 ( -9.528 -3.461 -6.748) 12.178 4.212 ( 6.539 -0.495 -4.599) 8.009 4.341 ( 0.823 8.662 -2.068) 8.944 4.653 ( -1.403 -12.559 -3.778) 13.190 4.881 ( -8.017 1.112 -1.071) 8.164 5.164 ( 4.907 0.314 -11.512) 12.518 5.927 ( 2.898 2.806 7.819) 8.798 6.128 ( -13.505 5.065 -2.879) 14.708 6.249 ( -17.016 -8.695 -0.934) 19.132 7.059 ( 4.429 0.408 6.551) 7.918 7.877 ( 5.853 -5.218 11.144) 13.626 8.559 ( -12.478 0.257 -4.161) 13.156 9.062 ( -4.511 -2.407 1.434) 5.310 9.707 ( -11.630 -2.267 -9.750) 15.345 10.689 ( 1.108 7.439 -7.131) 10.364 11.376 ( 21.484 -4.509 8.896) 23.686 12.358 ( 4.458 30.635 0.085) 30.958 12.505 ( -6.027 1.376 6.818) 9.203 12.878 ( 0.312 -24.769 6.807) 25.689 12.947 ( 4.546 2.820 0.599) 5.383 13.859 ( 7.618 0.682 3.629) 8.466 14.090 ( -2.106 0.454 -12.972) 13.150 14.828 ( 6.505 -3.432 11.209) 13.407 17.760 ( -9.257 -2.193 -27.291) 28.902 18.875 ( 0.110 -0.918 6.876) 6.938 19.425 ( 5.693 0.595 16.855) 17.800 19.661 ( 12.400 1.316 -5.791) 13.749 21.741 ( -8.570 8.583 3.995) 12.770 21.972 ( -0.397 -8.644 -14.633) 17.000 24.169 ( 5.938 -0.232 2.625) 6.497 24.317 ( -2.864 1.156 5.952) 6.706 ======================= Grid point 38 (27/432) ======================= q-point: (-0.55 0.27 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 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( -12.188 5.949 -6.903) 15.218 2.408 ( -4.178 12.481 -13.628) 18.946 2.898 ( -9.602 -1.200 3.262) 10.212 2.973 ( -4.744 -2.248 2.385) 5.766 3.238 ( -0.518 -9.417 -2.344) 9.718 3.586 ( -2.769 -0.444 1.414) 3.141 4.039 ( -8.812 14.804 -6.481) 18.407 4.346 ( 3.561 -1.028 1.724) 4.087 4.695 ( -9.014 -0.558 -7.668) 11.848 4.770 ( 2.294 -18.127 -2.676) 18.466 5.117 ( 4.475 -0.199 -9.628) 10.619 5.856 ( -10.834 4.315 -1.544) 11.764 6.033 ( -2.646 -0.592 -2.864) 3.943 6.082 ( -16.460 -4.928 7.192) 18.627 7.197 ( 3.742 0.516 8.280) 9.101 8.101 ( 1.547 -3.832 9.793) 10.629 8.401 ( -4.120 -6.862 -5.709) 9.831 9.047 ( -4.388 -2.385 2.310) 5.503 9.496 ( -10.229 -7.249 -8.427) 15.106 10.520 ( -1.447 9.556 -8.268) 12.719 11.736 ( 16.589 -2.636 4.232) 17.322 12.158 ( 4.276 34.963 3.434) 35.390 12.486 ( -7.074 0.689 6.185) 9.422 12.895 ( -3.613 6.154 -1.817) 7.364 13.164 ( 3.034 -19.513 6.525) 20.798 13.874 ( -4.055 1.495 -13.582) 14.253 14.078 ( 13.386 0.883 8.758) 16.021 15.123 ( 9.451 -7.684 11.991) 17.092 17.337 ( -9.474 -5.315 -30.972) 32.822 19.039 ( 7.256 -0.747 12.289) 14.291 19.674 ( 11.199 4.057 5.120) 12.965 19.772 ( 9.113 -0.485 6.024) 10.935 21.546 ( -6.982 8.392 -6.110) 12.510 21.871 ( -11.186 -9.797 -5.114) 15.725 24.266 ( 4.242 0.300 2.737) 5.057 24.344 ( -0.427 2.355 5.252) 5.772 ======================= Grid point 39 (28/432) ======================= q-point: (-0.45 0.27 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 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( -14.058 12.277 -7.663) 20.176 2.040 ( -7.378 17.429 -14.387) 23.774 2.820 ( -8.183 -1.662 2.719) 8.782 2.956 ( -6.040 -4.878 0.237) 7.767 3.249 ( -2.214 -10.781 -7.506) 13.322 3.551 ( 2.510 18.461 -2.890) 18.854 3.833 ( -5.654 -0.365 8.007) 9.809 4.384 ( -0.953 -1.875 -4.944) 5.373 4.549 ( -3.582 -3.928 -1.989) 5.676 4.917 ( 1.124 -17.515 -2.996) 17.805 5.064 ( 1.783 -2.115 -8.032) 8.495 5.682 ( -11.890 1.085 0.641) 11.957 5.830 ( -17.021 -4.679 -2.674) 17.854 6.107 ( 1.897 2.850 2.904) 4.490 7.308 ( 1.053 2.212 6.617) 7.056 8.160 ( -3.839 -0.310 5.442) 6.667 8.485 ( 5.175 -16.818 -3.374) 17.916 9.038 ( -3.862 -2.364 2.637) 5.240 9.377 ( -9.118 -12.473 -5.361) 16.354 10.343 ( -0.334 9.670 -5.335) 11.049 11.896 ( 6.568 17.110 0.327) 18.330 11.992 ( 6.993 22.292 2.955) 23.549 12.453 ( -6.094 -0.458 4.225) 7.429 12.750 ( -4.595 8.609 -2.190) 10.001 13.417 ( 4.571 -12.456 3.293) 13.671 13.686 ( -4.553 -2.043 -6.665) 8.326 14.359 ( 13.017 2.959 12.068) 17.996 15.445 ( 7.976 -11.255 9.801) 16.922 16.911 ( -8.537 -7.258 -32.727) 34.592 19.338 ( 13.848 0.622 14.859) 20.321 19.761 ( 9.417 3.404 -3.775) 10.702 20.030 ( 9.942 2.705 13.602) 17.064 21.301 ( -8.774 5.269 -7.781) 12.857 21.712 ( -17.718 -9.288 -3.617) 20.329 24.334 ( 2.448 0.367 1.035) 2.683 24.391 ( 2.202 3.112 6.187) 7.268 ======================= Grid point 40 (29/432) ======================= q-point: (-0.36 0.27 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 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -12.073 18.597 -11.779) 25.107 1.667 ( -6.527 21.333 -6.416) 23.213 2.686 ( -7.121 20.006 2.218) 21.351 2.944 ( -4.260 -10.024 0.182) 10.893 3.234 ( -0.900 -14.080 -6.732) 15.632 3.408 ( 4.171 15.081 -1.577) 15.726 3.957 ( -1.203 -4.870 11.027) 12.115 4.271 ( -3.822 -4.525 -8.711) 10.534 4.605 ( 1.621 -6.825 1.528) 7.179 5.005 ( 0.393 -8.670 -3.137) 9.229 5.038 ( -0.515 -9.084 -5.451) 10.606 5.511 ( -16.344 -1.299 3.154) 16.697 5.688 ( -3.237 -1.628 -3.220) 4.848 6.127 ( 1.660 3.576 1.139) 4.104 7.326 ( -1.474 4.802 2.788) 5.745 8.206 ( 0.125 -3.548 3.873) 5.254 8.655 ( 2.910 -18.654 -3.095) 19.132 9.066 ( -0.594 -4.574 3.029) 5.518 9.328 ( -8.802 -15.251 -3.120) 17.883 10.249 ( 1.987 7.265 -0.703) 7.565 11.716 ( 2.431 37.255 4.579) 37.614 11.939 ( 2.222 9.614 -5.406) 11.251 12.441 ( -2.454 -1.020 1.976) 3.312 12.603 ( -2.731 9.289 -1.033) 9.737 13.456 ( 0.579 1.435 -5.228) 5.452 13.759 ( 0.487 -15.734 5.546) 16.690 14.633 ( 9.749 3.438 14.239) 17.596 15.729 ( 4.288 -13.810 7.448) 16.266 16.501 ( -6.638 -5.178 -30.712) 31.845 19.688 ( 15.243 2.208 12.854) 20.061 19.803 ( 6.871 2.314 -3.410) 8.012 20.221 ( 6.249 8.715 6.488) 12.534 21.096 ( -7.194 0.602 -2.366) 7.596 21.494 ( -18.656 -8.937 -4.549) 21.181 24.347 ( 0.792 1.688 -0.098) 1.867 24.486 ( 3.380 0.674 5.608) 6.583 ======================= Grid point 41 (30/432) ======================= q-point: (-0.27 0.27 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 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 0.000 23.302 -0.000) 23.302 1.389 ( 0.000 24.378 -0.000) 24.378 2.401 ( 0.000 35.237 -0.000) 35.237 3.002 ( -0.000 -9.884 0.000) 9.884 3.327 ( -0.000 -16.163 0.000) 16.163 3.338 ( 0.000 7.690 -0.000) 7.690 4.046 ( -0.000 -1.054 0.000) 1.054 4.248 ( -0.000 -9.979 0.000) 9.979 4.695 ( -0.000 -8.469 0.000) 8.469 5.034 ( -0.000 -3.393 0.000) 3.393 5.078 ( -0.000 -10.183 0.000) 10.183 5.417 ( -0.000 -1.077 0.000) 1.077 5.664 ( -0.000 -0.636 0.000) 0.636 6.112 ( 0.000 4.403 -0.000) 4.403 7.281 ( 0.000 5.314 -0.000) 5.314 8.269 ( -0.000 -3.266 0.000) 3.266 8.815 ( -0.000 -20.761 0.000) 20.761 9.144 ( -0.000 -6.866 0.000) 6.866 9.372 ( -0.000 -18.039 0.000) 18.039 10.222 ( 0.000 5.240 -0.000) 5.240 11.446 ( 0.000 37.913 -0.000) 37.913 11.813 ( 0.000 12.013 -0.000) 12.013 12.414 ( 0.000 7.348 -0.000) 7.348 12.525 ( 0.000 3.327 -0.000) 3.327 13.414 ( 0.000 1.349 -0.000) 1.349 13.940 ( -0.000 -15.826 0.000) 15.826 14.806 ( 0.000 0.314 -0.000) 0.314 15.950 ( -0.000 -16.801 0.000) 16.801 16.227 ( 0.000 2.066 -0.000) 2.066 19.814 ( 0.000 1.132 -0.000) 1.132 19.894 ( 0.000 2.243 -0.000) 2.243 20.172 ( 0.000 13.109 -0.000) 13.109 21.070 ( -0.000 -1.646 0.000) 1.646 21.372 ( -0.000 -8.405 0.000) 8.405 24.334 ( 0.000 2.059 -0.000) 2.059 24.555 ( -0.000 -1.244 0.000) 1.244 ======================= Grid point 48 (31/432) ======================= q-point: ( 0.36 -0.64 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 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -11.048 0.000 -5.462) 12.324 2.519 ( -2.069 0.000 -14.528) 14.674 2.895 ( -10.658 0.000 5.615) 12.047 2.959 ( -7.671 0.000 2.322) 8.014 3.142 ( -0.843 0.000 -5.833) 5.894 3.570 ( -2.239 0.000 3.212) 3.915 4.206 ( -1.059 0.000 -4.227) 4.358 4.405 ( -1.639 0.000 1.328) 2.109 4.509 ( -0.329 0.000 -2.602) 2.622 4.696 ( -7.584 0.000 -10.024) 12.570 5.116 ( 4.273 -0.000 -9.877) 10.762 5.927 ( -8.787 0.000 -8.677) 12.349 5.968 ( -25.299 0.000 8.357) 26.644 6.065 ( 3.697 -0.000 3.982) 5.434 7.203 ( 4.382 -0.000 8.098) 9.208 8.057 ( 6.749 -0.000 8.962) 11.218 8.351 ( -10.358 0.000 -5.070) 11.533 9.030 ( -2.984 0.000 2.620) 3.971 9.434 ( -10.970 0.000 -9.587) 14.569 10.603 ( -3.456 0.000 -8.529) 9.203 11.712 ( 18.406 -0.000 5.715) 19.273 12.462 ( -4.201 0.000 1.388) 4.424 12.690 ( 8.077 -0.000 1.951) 8.310 12.774 ( -5.844 0.000 12.198) 13.526 12.969 ( -1.167 0.000 -1.306) 1.751 13.888 ( -3.942 0.000 -14.487) 15.014 14.085 ( 14.330 -0.000 8.781) 16.807 15.054 ( 9.137 -0.000 11.397) 14.607 17.293 ( -10.641 0.000 -29.540) 31.398 19.033 ( 7.740 -0.000 12.585) 14.774 19.726 ( 9.878 -0.000 16.939) 19.609 19.750 ( 10.132 -0.000 -5.408) 11.485 21.694 ( -16.857 0.000 7.036) 18.267 21.712 ( -0.122 0.000 -20.402) 20.402 24.267 ( 4.506 -0.000 2.327) 5.072 24.365 ( -0.813 0.000 5.898) 5.953 ======================= Grid point 50 (32/432) ======================= q-point: (-0.55 0.36 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 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( -11.730 5.992 -4.289) 13.852 2.265 ( -4.755 7.404 -15.430) 17.763 2.778 ( -8.889 -0.050 1.533) 9.020 2.870 ( -8.356 -5.936 -0.833) 10.284 3.116 ( 0.273 -4.144 -6.400) 7.629 3.662 ( 2.331 -0.592 9.950) 10.236 4.037 ( -5.383 16.742 -2.419) 17.752 4.361 ( -2.233 -1.057 -4.103) 4.789 4.501 ( -3.034 -1.240 -4.413) 5.497 4.617 ( -0.068 -15.549 -1.174) 15.594 5.045 ( 1.719 -0.582 -9.582) 9.753 5.706 ( -18.390 1.715 2.818) 18.683 5.763 ( -11.092 -3.115 -3.675) 12.093 6.138 ( 2.431 0.909 2.294) 3.464 7.342 ( 3.380 1.306 7.372) 8.215 8.166 ( -4.618 1.922 0.742) 5.056 8.268 ( 3.645 -8.801 0.708) 9.553 9.026 ( -2.267 0.397 2.540) 3.428 9.226 ( -8.880 -5.086 -7.088) 12.449 10.453 ( -3.283 3.325 -6.278) 7.826 11.957 ( 12.308 0.933 1.532) 12.438 12.404 ( -2.883 3.235 0.145) 4.336 12.589 ( -0.054 28.371 7.696) 29.397 12.847 ( -4.050 2.356 -2.261) 5.203 13.100 ( 2.858 -23.227 5.959) 24.149 13.682 ( -3.982 0.358 -11.653) 12.319 14.391 ( 14.162 0.943 11.451) 18.237 15.300 ( 7.774 -4.933 8.285) 12.386 16.837 ( -10.204 -1.987 -27.738) 29.622 19.345 ( 14.136 0.205 16.076) 21.408 19.804 ( 7.924 1.463 -4.452) 9.206 20.056 ( 11.326 0.577 16.106) 19.699 21.412 ( -8.862 7.585 -10.936) 15.989 21.559 ( -15.173 -8.744 -5.238) 18.279 24.337 ( 2.747 0.086 1.644) 3.203 24.425 ( 1.104 0.967 5.017) 5.228 ======================= Grid point 51 (33/432) ======================= q-point: (-0.45 0.36 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 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( -8.404 15.386 -7.851) 19.209 1.976 ( -5.018 14.166 -6.616) 16.421 2.753 ( -3.908 -7.094 2.623) 8.514 2.844 ( -3.946 -4.499 2.864) 6.634 3.045 ( -2.322 -6.093 -10.001) 11.939 3.753 ( 4.488 20.074 0.081) 20.570 3.891 ( -2.865 -0.008 11.638) 11.986 4.220 ( -4.749 -1.860 -11.026) 12.148 4.512 ( 0.906 -3.856 1.089) 4.108 4.748 ( -0.639 -17.004 -0.271) 17.018 4.975 ( 0.551 -2.590 -6.851) 7.345 5.495 ( -15.689 -0.622 2.410) 15.885 5.660 ( -2.495 -1.531 -2.880) 4.106 6.169 ( 1.345 1.593 0.914) 2.277 7.411 ( 0.957 4.768 3.764) 6.149 8.127 ( -2.413 -4.914 0.585) 5.506 8.410 ( 3.288 -10.121 -0.024) 10.642 9.023 ( -0.460 -0.701 1.155) 1.427 9.129 ( -6.665 -8.437 -2.989) 11.160 10.343 ( -0.984 3.768 -2.565) 4.664 12.039 ( 4.564 6.274 -0.897) 7.810 12.346 ( 4.716 20.929 0.708) 21.465 12.425 ( -5.292 11.935 4.092) 13.682 12.734 ( -2.892 5.743 -1.934) 6.715 13.382 ( 3.684 -18.021 3.107) 18.655 13.536 ( -3.778 -3.420 -5.436) 7.451 14.671 ( 9.622 1.344 10.731) 14.476 15.518 ( 4.333 -10.063 4.781) 11.954 16.453 ( -7.402 -1.298 -20.981) 22.286 19.714 ( 13.021 0.952 14.851) 19.774 19.838 ( 7.253 1.582 -4.450) 8.655 20.341 ( 8.986 5.179 12.076) 15.919 21.129 ( -8.815 3.485 -7.187) 11.896 21.348 ( -15.401 -8.272 -7.502) 19.023 24.370 ( 1.067 1.005 0.580) 1.577 24.490 ( 1.830 -0.022 3.542) 3.987 ======================= Grid point 52 (34/432) ======================= q-point: (-0.36 0.36 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 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 0.000 20.765 -0.000) 20.765 1.761 ( 0.000 19.364 -0.000) 19.364 2.814 ( 0.000 13.571 -0.000) 13.571 2.822 ( -0.000 -11.064 0.000) 11.064 3.049 ( -0.000 -16.467 0.000) 16.467 3.584 ( 0.000 21.658 -0.000) 21.658 4.033 ( -0.000 -0.537 0.000) 0.537 4.098 ( -0.000 -7.428 0.000) 7.428 4.569 ( -0.000 -6.148 0.000) 6.148 4.871 ( -0.000 -14.420 0.000) 14.420 4.967 ( -0.000 -4.212 0.000) 4.212 5.403 ( -0.000 -0.638 0.000) 0.638 5.643 ( -0.000 -1.666 0.000) 1.666 6.168 ( 0.000 2.306 -0.000) 2.306 7.383 ( 0.000 6.601 -0.000) 6.601 8.177 ( -0.000 -7.220 0.000) 7.220 8.526 ( -0.000 -13.337 0.000) 13.337 9.065 ( -0.000 -2.608 0.000) 2.608 9.123 ( -0.000 -11.341 0.000) 11.341 10.297 ( 0.000 3.602 -0.000) 3.602 11.991 ( 0.000 9.205 -0.000) 9.205 12.096 ( 0.000 38.707 -0.000) 38.707 12.415 ( -0.000 -3.425 0.000) 3.425 12.648 ( 0.000 7.549 -0.000) 7.549 13.442 ( 0.000 1.692 -0.000) 1.692 13.636 ( -0.000 -20.651 0.000) 20.651 14.809 ( 0.000 0.150 -0.000) 0.150 15.681 ( -0.000 -14.289 0.000) 14.289 16.258 ( 0.000 1.548 -0.000) 1.548 19.832 ( 0.000 0.979 -0.000) 0.979 19.927 ( 0.000 1.695 -0.000) 1.695 20.388 ( 0.000 12.208 -0.000) 12.208 21.044 ( -0.000 -1.358 0.000) 1.358 21.225 ( -0.000 -8.819 0.000) 8.819 24.367 ( 0.000 1.741 -0.000) 1.741 24.534 ( -0.000 -1.240 0.000) 1.240 ======================= Grid point 61 (35/432) ======================= q-point: ( 0.45 -0.55 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 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -6.962 0.000 -1.384) 7.099 2.078 ( -3.753 0.000 -11.230) 11.840 2.704 ( -5.536 0.000 -2.448) 6.053 2.739 ( -3.342 0.000 4.228) 5.389 3.012 ( -1.876 0.000 -7.421) 7.655 3.826 ( 3.140 -0.000 12.511) 12.899 4.058 ( -2.493 0.000 -0.280) 2.509 4.196 ( -3.375 0.000 -11.831) 12.303 4.496 ( 1.011 -0.000 -2.083) 2.315 4.532 ( -1.895 0.000 5.121) 5.461 4.951 ( 0.630 -0.000 -8.241) 8.265 5.490 ( -15.454 0.000 2.227) 15.614 5.645 ( -2.573 0.000 -2.589) 3.650 6.182 ( 1.258 -0.000 0.771) 1.475 7.457 ( 2.228 -0.000 4.536) 5.054 8.078 ( -3.247 0.000 -2.463) 4.075 8.324 ( 2.945 -0.000 2.523) 3.878 9.037 ( -0.918 0.000 1.839) 2.055 9.041 ( -5.320 0.000 -4.213) 6.786 10.374 ( -2.019 0.000 -3.095) 3.696 12.095 ( 6.286 -0.000 0.052) 6.286 12.359 ( -3.115 0.000 -0.108) 3.117 12.765 ( -3.505 0.000 1.075) 3.666 12.929 ( 4.595 -0.000 2.016) 5.017 12.987 ( -0.398 0.000 3.613) 3.635 13.529 ( -2.773 0.000 -7.137) 7.656 14.682 ( 9.648 -0.000 9.682) 13.668 15.428 ( 4.309 -0.000 4.010) 5.887 16.444 ( -7.533 0.000 -18.277) 19.769 19.722 ( 12.377 -0.000 15.352) 19.719 19.851 ( 7.239 -0.000 -4.647) 8.602 20.385 ( 10.315 -0.000 14.899) 18.121 21.198 ( -5.897 0.000 -16.178) 17.219 21.238 ( -18.189 0.000 -2.023) 18.301 24.379 ( 1.275 -0.000 0.918) 1.571 24.489 ( 1.223 -0.000 2.836) 3.088 ======================= Grid point 63 (36/432) ======================= q-point: (-0.45 0.45 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 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 0.000 13.487 -0.000) 13.487 1.994 ( 0.000 6.126 -0.000) 6.126 2.671 ( -0.000 -4.985 0.000) 4.985 2.807 ( -0.000 -10.506 0.000) 10.506 2.928 ( 0.000 2.361 -0.000) 2.361 3.958 ( 0.000 17.846 -0.000) 17.846 4.011 ( -0.000 -2.751 0.000) 2.751 4.027 ( -0.000 -0.151 0.000) 0.151 4.498 ( -0.000 -2.194 0.000) 2.194 4.620 ( -0.000 -13.054 0.000) 13.054 4.910 ( -0.000 -2.023 0.000) 2.023 5.396 ( -0.000 -0.179 0.000) 0.179 5.619 ( -0.000 -0.924 0.000) 0.924 6.192 ( 0.000 0.667 -0.000) 0.667 7.481 ( 0.000 3.974 -0.000) 3.974 8.064 ( -0.000 -4.727 0.000) 4.727 8.376 ( -0.000 -4.444 0.000) 4.444 8.996 ( -0.000 -3.801 0.000) 3.801 9.043 ( -0.000 -0.380 0.000) 0.380 10.339 ( 0.000 1.267 -0.000) 1.267 12.114 ( 0.000 4.802 -0.000) 4.802 12.351 ( -0.000 -3.168 0.000) 3.168 12.715 ( 0.000 34.416 -0.000) 34.416 12.736 ( 0.000 2.665 -0.000) 2.665 13.236 ( -0.000 -27.344 0.000) 27.344 13.464 ( 0.000 0.767 -0.000) 0.767 14.812 ( 0.000 0.169 -0.000) 0.169 15.504 ( -0.000 -5.850 0.000) 5.850 16.276 ( 0.000 0.571 -0.000) 0.571 19.844 ( 0.000 0.386 -0.000) 0.386 19.948 ( 0.000 0.636 -0.000) 0.636 20.554 ( 0.000 6.245 -0.000) 6.245 21.027 ( -0.000 -0.532 0.000) 0.532 21.099 ( -0.000 -5.017 0.000) 5.017 24.389 ( 0.000 0.754 -0.000) 0.754 24.518 ( -0.000 -0.594 0.000) 0.594 ======================= Grid point 125 (37/432) ======================= q-point: ( 0.00 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( -4.281 0.000 25.380) 25.739 0.651 ( 8.992 -0.000 31.063) 32.338 1.113 ( -6.851 0.000 53.419) 53.856 3.244 ( -0.479 0.000 -2.087) 2.141 3.296 ( -0.436 0.000 4.660) 4.680 3.873 ( -2.919 0.000 5.302) 6.052 4.005 ( 5.068 -0.000 -3.168) 5.976 4.578 ( -1.678 0.000 -5.961) 6.193 4.937 ( 0.297 -0.000 -7.591) 7.596 5.108 ( 15.301 -0.000 -5.397) 16.225 5.456 ( 3.342 -0.000 8.682) 9.303 5.749 ( -0.906 0.000 11.726) 11.761 5.900 ( -0.657 0.000 2.561) 2.643 7.242 ( -8.160 0.000 8.546) 11.816 7.471 (-123.416 0.000 2.657) 123.444 7.472 ( -1.383 0.000 -5.029) 5.216 8.988 ( 3.372 -0.000 6.802) 7.592 9.447 ( -4.128 0.000 -2.655) 4.908 9.765 ( 1.197 -0.000 3.783) 3.968 10.055 ( -1.523 0.000 -9.016) 9.144 10.428 ( 37.072 -0.000 6.671) 37.667 11.207 ( -2.194 0.000 -3.144) 3.833 12.349 ( -15.335 0.000 11.058) 18.907 12.465 ( -2.124 0.000 -4.855) 5.299 12.752 ( 5.525 -0.000 -3.817) 6.715 13.456 ( -1.638 0.000 4.844) 5.113 14.386 ( -1.004 0.000 -1.593) 1.884 16.159 ( -2.078 0.000 -9.514) 9.738 19.085 ( 2.220 -0.000 -7.381) 7.708 19.411 ( 99.492 -0.000 -1.343) 99.501 19.721 ( 4.253 -0.000 -3.432) 5.465 19.816 ( -3.837 0.000 0.266) 3.846 21.095 ( 9.182 -0.000 -1.918) 9.380 22.333 (-147.783 0.000 -1.202) 147.788 23.640 ( -2.668 0.000 4.065) 4.862 24.263 ( 2.695 -0.000 -0.380) 2.722 ======================= Grid point 126 (38/432) ======================= q-point: ( 0.09 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 8.679 -9.565 21.495) 25.077 1.103 ( 5.419 -9.252 27.940) 29.927 1.861 ( 23.635 -6.736 42.813) 49.365 3.235 ( 4.889 1.897 -3.753) 6.449 3.321 ( -5.290 0.145 6.819) 8.632 3.876 ( -4.544 2.553 6.889) 8.639 4.029 ( 4.418 2.433 -3.936) 6.397 4.484 ( 2.421 1.305 -10.281) 10.643 4.846 ( 1.717 1.874 -9.456) 9.792 5.108 ( -6.316 1.081 -4.895) 8.064 5.541 ( 1.425 0.269 4.836) 5.049 5.889 ( -5.336 1.051 12.800) 13.907 5.904 ( -2.936 -0.942 10.336) 10.786 6.558 ( -20.989 30.241 26.708) 45.479 7.266 ( -2.909 2.728 5.311) 6.641 7.565 ( -9.905 -30.326 -6.519) 32.562 9.127 ( 2.330 -0.473 6.737) 7.144 9.457 ( 1.842 -9.789 -0.864) 9.998 9.778 ( 1.893 12.736 -0.370) 12.881 9.971 ( -1.675 -9.715 -4.490) 10.833 10.795 ( 22.707 25.799 -3.219) 34.518 11.310 ( 12.029 -29.615 -6.610) 32.641 12.319 ( -5.722 8.056 10.096) 14.127 12.402 ( -1.175 -1.004 0.572) 1.648 12.890 ( 5.654 -20.018 -8.187) 22.354 13.512 ( -0.046 -0.674 6.901) 6.934 14.325 ( -3.667 1.031 -2.748) 4.697 15.945 ( -7.275 2.969 -14.514) 16.504 18.921 ( 0.932 28.795 2.866) 28.952 19.372 ( -24.766 -1.282 -4.672) 25.235 19.714 ( -7.243 -0.980 -4.014) 8.339 19.892 ( -17.773 -0.800 8.878) 19.884 21.189 ( 11.840 9.381 3.171) 15.435 21.630 ( 8.182 -6.643 -5.102) 11.709 23.731 ( -2.768 -15.002 0.225) 15.257 24.298 ( 1.971 -0.342 0.777) 2.146 ======================= Grid point 127 (39/432) ======================= q-point: ( 0.18 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 13.250 -11.148 16.938) 24.223 1.586 ( 8.047 -13.355 24.670) 29.184 2.677 ( 27.034 -5.542 29.794) 40.611 3.236 ( 4.874 4.684 -3.506) 7.615 3.328 ( -4.913 -0.082 7.767) 9.191 3.868 ( -3.021 3.798 4.718) 6.768 3.961 ( 1.516 7.586 -7.901) 11.058 4.409 ( 5.092 -1.944 -11.157) 12.417 4.732 ( -2.250 5.459 -3.593) 6.911 4.982 ( -6.891 -5.874 -1.621) 9.199 5.593 ( 1.368 0.991 0.563) 1.781 5.855 ( -8.952 -0.935 5.140) 10.365 6.097 ( -2.543 3.359 24.347) 24.709 6.532 ( 2.555 17.840 17.498) 25.119 7.205 ( -5.798 0.058 -4.365) 7.258 7.622 ( -5.735 -17.666 0.277) 18.576 9.193 ( 2.439 5.747 2.882) 6.876 9.573 ( -1.133 -2.825 0.077) 3.045 9.687 ( 2.182 0.626 2.695) 3.524 10.039 ( 2.239 -4.593 2.257) 5.586 10.735 ( 5.362 13.067 -3.550) 14.564 11.685 ( 18.426 -20.469 -5.144) 28.017 12.250 ( -2.099 4.395 -2.268) 5.373 12.449 ( 0.309 2.355 6.337) 6.767 13.030 ( 3.462 -19.781 -6.372) 21.068 13.630 ( 2.810 -2.145 9.053) 9.718 14.214 ( -5.934 2.204 -3.337) 7.156 15.614 ( -10.302 4.666 -17.024) 20.438 18.717 ( -13.292 23.450 14.994) 30.845 19.091 ( -4.245 -0.143 -10.908) 11.706 19.563 ( -9.843 -4.698 -6.608) 12.753 19.723 ( -21.689 -0.581 8.367) 23.255 21.331 ( 15.793 8.389 0.666) 17.896 21.816 ( 20.092 -6.872 -10.457) 23.670 23.809 ( -0.850 -10.585 -0.756) 10.646 24.332 ( 0.838 0.068 1.400) 1.633 ======================= Grid point 128 (40/432) ======================= q-point: ( 0.27 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 13.544 -10.356 12.888) 21.373 2.081 ( 9.265 -14.233 21.889) 27.705 3.119 ( 1.655 4.626 4.914) 6.949 3.209 ( 4.151 6.895 -3.390) 8.733 3.507 ( 12.222 -4.547 17.771) 22.042 3.740 ( -2.904 14.077 -8.400) 16.648 3.896 ( 7.189 -2.087 -3.909) 8.446 4.392 ( 3.024 -4.627 -7.851) 9.602 4.668 ( -3.195 1.857 5.462) 6.595 4.972 ( -1.180 -7.492 -2.790) 8.082 5.553 ( -3.609 4.021 -1.914) 5.732 5.801 ( -9.048 -0.641 5.534) 10.625 6.307 ( -4.511 5.974 27.543) 28.542 6.645 ( 5.157 9.569 12.484) 16.553 7.035 ( -8.414 -1.047 -8.237) 11.821 7.722 ( -2.024 -12.154 4.655) 13.171 9.122 ( -4.890 9.731 -1.623) 11.011 9.556 ( 5.368 6.558 2.158) 8.745 9.788 ( -3.735 -5.969 3.040) 7.669 10.159 ( 5.412 -0.617 6.220) 8.268 10.722 ( 4.216 -4.982 -1.243) 6.644 11.935 ( 5.555 0.058 -3.126) 6.375 12.182 ( 6.959 -0.834 -4.756) 8.470 12.505 ( 3.191 -1.801 1.133) 3.836 13.172 ( 0.957 -16.299 -1.000) 16.358 13.820 ( 5.425 -4.210 8.833) 11.188 14.063 ( -7.391 3.225 -2.620) 8.479 15.239 ( -10.628 5.248 -16.380) 20.219 18.524 ( -13.112 11.075 7.218) 18.619 19.001 ( 9.807 6.288 -7.921) 14.088 19.379 ( -9.671 -3.427 -9.973) 14.308 19.552 ( -19.769 -2.711 8.835) 21.822 21.440 ( 13.848 7.559 -4.828) 16.499 22.024 ( 13.471 -7.841 -2.696) 15.818 23.880 ( 1.932 -7.304 -0.932) 7.612 24.345 ( -0.738 1.314 1.578) 2.182 ======================= Grid point 129 (41/432) ======================= q-point: ( 0.36 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 10.663 -7.222 7.517) 14.912 2.536 ( 6.167 -12.138 18.439) 22.921 3.048 ( -4.208 7.065 1.416) 8.344 3.117 ( -0.378 6.253 -6.264) 8.859 3.451 ( -4.524 13.823 -9.015) 17.112 3.812 ( 12.695 -2.182 -1.564) 12.976 4.115 ( 15.236 -7.175 4.055) 17.322 4.361 ( -4.886 -4.178 -1.743) 6.661 4.729 ( -0.249 -1.618 7.853) 8.022 4.986 ( -0.223 -6.382 -3.424) 7.246 5.382 ( -8.133 7.347 -6.005) 12.497 5.762 ( -6.177 1.150 5.809) 8.557 6.468 ( -8.002 5.728 20.575) 22.807 6.766 ( -0.075 2.636 11.762) 12.054 6.875 ( -6.198 -1.242 -0.494) 6.341 7.885 ( 1.954 -9.385 8.086) 12.541 8.910 ( -7.961 11.292 -3.351) 14.217 9.621 ( 2.677 1.955 3.681) 4.954 9.761 ( -2.288 1.177 -1.314) 2.889 10.264 ( 0.873 0.199 2.896) 3.031 10.930 ( 9.678 -15.902 4.804) 19.225 11.736 ( -7.380 16.098 -8.211) 19.520 12.352 ( 13.891 -3.013 -1.485) 14.292 12.605 ( 4.513 -5.998 1.655) 7.687 13.294 ( -0.240 -9.839 1.792) 10.003 13.837 ( -6.655 5.008 -3.113) 8.891 14.096 ( 4.847 -6.491 6.943) 10.669 14.913 ( -7.341 4.370 -10.939) 13.880 18.340 ( -7.640 3.014 -5.983) 10.161 19.034 ( 12.313 6.427 -5.923) 15.100 19.173 ( -6.947 1.200 -4.022) 8.116 19.459 ( -15.648 -6.107 8.909) 19.014 21.462 ( 11.058 5.895 -9.657) 15.820 22.233 ( 5.808 -8.302 4.860) 11.237 23.963 ( 4.502 -4.858 -1.050) 6.706 24.324 ( -2.232 3.163 1.489) 4.148 ======================= Grid point 130 (42/432) ======================= q-point: (-0.55 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 2.868 1.705 -2.764) 4.333 2.666 ( -11.416 6.852 2.976) 13.643 2.981 ( -1.513 3.681 -3.581) 5.353 3.127 ( 7.317 -5.953 9.524) 13.405 3.260 ( 0.170 1.907 -3.689) 4.156 3.949 ( 12.576 -3.049 -7.557) 14.986 4.199 ( -8.166 -0.782 -3.253) 8.824 4.411 ( -0.031 -7.083 3.751) 8.015 4.824 ( -1.008 0.252 8.192) 8.258 5.021 ( 3.348 -6.407 -2.454) 7.634 5.111 ( -7.003 6.838 -10.304) 14.212 5.741 ( -3.317 4.136 5.099) 7.356 6.399 ( -11.324 0.117 -2.504) 11.598 6.846 ( -4.547 2.002 10.547) 11.659 6.971 ( -6.197 -2.882 26.154) 27.032 8.088 ( 2.255 -2.552 11.760) 12.243 8.688 ( -4.471 6.227 -5.801) 9.614 9.644 ( -8.154 -10.262 0.768) 13.129 9.724 ( 6.169 10.681 -0.785) 12.359 10.257 ( -3.535 -2.747 -2.008) 4.907 11.246 ( 8.821 -2.024 1.099) 9.116 11.411 ( -3.833 6.950 -4.709) 9.229 12.498 ( 7.438 0.637 0.495) 7.482 12.730 ( 1.525 -2.785 4.475) 5.487 13.348 ( -0.199 -0.141 -0.480) 0.539 13.723 ( -1.380 -0.115 0.598) 1.508 14.176 ( -3.370 -0.444 -4.537) 5.669 14.828 ( 4.634 -2.117 4.173) 6.586 18.112 ( -5.590 -2.219 -19.391) 20.302 18.996 ( 3.143 1.202 -5.558) 6.497 19.202 ( 8.445 4.680 4.281) 10.562 19.438 ( -11.126 -5.353 10.362) 16.119 21.427 ( 8.928 3.663 -12.519) 15.807 22.417 ( -2.169 -8.991 10.559) 14.037 24.049 ( 5.439 -2.138 -0.977) 5.925 24.270 ( -2.604 5.010 1.164) 5.765 ======================= Grid point 131 (43/432) ======================= q-point: (-0.45 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -7.320 12.243 -11.948) 18.607 2.372 ( -16.210 14.663 -2.561) 22.007 2.994 ( 1.961 -3.485 3.193) 5.117 3.197 ( -0.504 -3.020 0.442) 3.093 3.482 ( 8.680 -11.893 6.573) 16.124 3.857 ( -17.514 0.968 -10.752) 20.574 4.114 ( 4.918 -1.217 -5.909) 7.784 4.396 ( -9.618 -1.627 2.980) 10.200 4.850 ( -7.483 1.656 1.972) 7.914 4.920 ( 6.365 4.268 -4.635) 8.956 5.166 ( 7.562 -10.489 -1.398) 13.006 5.720 ( -0.849 6.328 3.939) 7.502 6.188 ( -10.461 -1.804 -9.170) 14.027 6.863 ( -11.563 -1.165 11.833) 16.585 7.243 ( -9.474 -4.568 32.474) 34.135 8.156 ( -7.389 13.762 12.577) 20.054 8.653 ( 10.149 -8.833 -7.105) 15.215 9.616 ( -9.643 -9.621 0.682) 13.638 9.715 ( 5.598 6.398 -2.092) 8.755 10.177 ( -7.170 -5.180 -5.175) 10.248 11.017 ( -1.447 21.623 -5.767) 22.426 11.620 ( 9.456 -12.661 1.703) 15.894 12.554 ( 1.148 1.862 1.735) 2.792 12.736 ( -8.336 5.979 5.937) 11.853 13.318 ( 4.299 4.950 -2.452) 7.000 13.828 ( 6.348 -5.490 4.749) 9.643 13.983 ( -8.570 5.566 -6.690) 12.214 15.087 ( 12.352 -6.448 10.941) 17.716 17.793 ( -3.567 -5.035 -31.284) 31.886 19.047 ( 5.888 -2.031 2.826) 6.839 19.300 ( 4.356 1.171 1.213) 4.671 19.508 ( -1.109 0.105 12.704) 12.753 21.356 ( 7.102 1.901 -14.565) 16.315 22.566 ( -10.175 -10.996 15.520) 21.571 24.107 ( 2.384 2.760 1.959) 4.140 24.213 ( 0.959 4.529 -1.092) 4.756 ======================= Grid point 132 (44/432) ======================= q-point: (-0.36 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -12.927 15.154 -12.030) 23.270 1.973 ( -19.102 18.490 -2.019) 26.662 3.094 ( 2.412 -3.388 1.386) 4.384 3.216 ( -13.876 -1.803 -4.979) 14.853 3.345 ( -17.751 1.504 -6.743) 19.048 3.706 ( 0.374 -9.185 -1.562) 9.325 4.087 ( -5.035 -2.050 1.843) 5.740 4.396 ( 5.550 -0.691 0.346) 5.604 4.763 ( -5.019 -2.555 -0.951) 5.712 4.963 ( 4.127 1.889 1.278) 4.715 5.332 ( 7.066 -9.230 -2.060) 11.806 5.702 ( 1.146 6.217 1.437) 6.483 5.970 ( -7.338 -0.872 -9.771) 12.251 6.831 ( -20.460 -6.731 14.606) 26.024 7.488 ( -14.250 -5.518 29.210) 32.965 8.040 ( -6.300 16.347 9.484) 19.921 8.847 ( 15.112 -7.202 -4.494) 17.333 9.584 ( -6.314 -5.243 2.014) 8.451 9.692 ( -0.775 -0.873 -4.685) 4.828 10.080 ( -4.766 -4.299 -2.376) 6.844 10.835 ( 1.114 12.540 -0.483) 12.599 11.794 ( 6.030 -7.512 -4.891) 10.803 12.548 ( -5.971 3.249 5.911) 9.008 12.577 ( -9.783 10.159 2.956) 14.410 13.330 ( 6.419 4.783 -2.770) 8.471 13.779 ( -6.878 9.626 2.759) 12.148 14.030 ( 8.112 -4.816 4.472) 10.441 15.451 ( 14.524 -6.921 11.079) 19.535 17.408 ( 0.267 -6.751 -42.125) 42.664 19.211 ( 2.893 -5.789 7.323) 9.773 19.350 ( 5.362 2.065 1.264) 5.884 19.655 ( 5.085 4.432 10.186) 12.217 21.254 ( 5.240 0.984 -15.568) 16.455 22.688 ( -18.045 -15.428 19.753) 30.884 24.107 ( -1.601 10.024 8.245) 13.078 24.211 ( 6.141 1.242 -4.353) 7.629 ======================= Grid point 133 (45/432) ======================= q-point: (-0.27 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -17.481 15.267 -7.170) 24.291 1.520 ( -21.633 21.099 -1.132) 30.240 2.503 ( -40.220 14.225 -16.740) 45.828 3.184 ( -0.239 -3.581 3.495) 5.009 3.402 ( -1.288 -7.869 5.328) 9.590 3.665 ( -5.168 -5.544 -5.766) 9.523 4.088 ( -1.906 -0.408 1.892) 2.717 4.518 ( 7.587 -5.510 -0.640) 9.398 4.749 ( -2.906 -4.220 3.411) 6.155 5.014 ( 2.472 0.718 1.716) 3.094 5.443 ( 4.387 -7.711 -5.117) 10.241 5.654 ( -2.172 1.346 -3.878) 4.644 5.828 ( 1.318 4.906 -3.702) 6.285 6.792 ( -27.694 -16.741 18.841) 37.446 7.575 ( -20.652 -3.157 19.335) 28.466 7.992 ( 0.558 13.114 12.519) 18.138 9.014 ( 14.152 3.757 -3.240) 14.996 9.553 ( 1.984 7.105 -3.731) 8.266 9.653 ( -10.875 -19.067 0.274) 21.952 10.097 ( 3.427 3.075 4.973) 6.777 10.825 ( -0.628 -4.960 3.990) 6.397 11.787 ( 0.526 -3.723 -12.038) 12.612 12.368 ( -16.474 8.760 8.716) 20.594 12.540 ( -1.782 1.985 3.037) 4.042 13.323 ( 5.027 4.034 -4.121) 7.651 13.738 ( 0.325 17.411 17.590) 24.752 14.205 ( 6.901 -2.500 3.270) 8.035 15.810 ( 13.861 -6.063 8.859) 17.532 16.951 ( 3.248 -6.740 -54.340) 54.853 19.300 ( -2.590 -2.429 3.268) 4.826 19.500 ( 11.243 0.920 5.900) 12.730 19.768 ( 5.082 7.232 5.876) 10.614 21.140 ( 4.379 0.177 -14.344) 14.998 22.804 ( -25.996 -24.542 23.138) 42.585 24.120 ( 1.858 13.167 12.013) 17.920 24.236 ( 5.053 2.373 -1.460) 5.770 ======================= Grid point 134 (46/432) ======================= q-point: (-0.18 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -21.732 14.214 1.338) 26.002 1.030 ( -25.261 19.584 -0.892) 31.975 1.650 ( -46.056 20.329 -4.336) 50.529 3.238 ( -0.545 -2.250 2.514) 3.417 3.410 ( -10.844 -3.646 1.570) 11.548 3.673 ( 4.567 -5.283 0.584) 7.008 4.062 ( -0.644 -0.025 -3.469) 3.529 4.612 ( -1.697 -6.169 0.705) 6.437 4.862 ( 5.937 -5.144 5.198) 9.419 5.049 ( 1.456 1.482 1.514) 2.571 5.405 ( -3.278 -6.390 -14.405) 16.096 5.604 ( -0.297 0.802 2.424) 2.571 5.821 ( 6.079 5.935 0.139) 8.497 6.852 ( -30.917 -34.546 23.977) 52.194 7.472 ( -21.408 -0.543 11.984) 24.540 8.115 ( 2.784 5.135 18.493) 19.394 9.105 ( 16.144 15.738 0.578) 22.553 9.478 ( 3.141 6.028 -4.368) 8.080 9.687 ( -9.008 -17.234 0.344) 19.449 10.180 ( 6.227 9.019 4.973) 12.035 10.987 ( -3.032 -21.540 7.112) 22.885 11.606 ( -7.185 -5.048 -19.858) 21.713 12.221 ( -18.628 -3.560 12.411) 22.665 12.539 ( -2.460 -0.532 2.241) 3.370 13.335 ( 4.978 2.016 -0.709) 5.418 13.879 ( 16.623 34.125 23.787) 44.796 14.325 ( 5.081 -0.602 1.826) 5.433 16.096 ( 11.110 -3.179 5.418) 12.763 16.372 ( -2.465 -1.412 -50.418) 50.498 19.297 ( 1.559 4.779 -0.795) 5.089 19.693 ( 7.940 0.452 5.483) 9.659 19.798 ( 2.256 7.290 2.360) 7.988 21.059 ( 5.286 -0.522 -11.197) 12.393 22.959 ( -33.873 -43.409 24.758) 60.371 24.197 ( 6.398 6.573 3.606) 9.856 24.305 ( 5.648 12.460 16.534) 21.459 ======================= Grid point 135 (47/432) ======================= q-point: (-0.09 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( -24.821 10.314 8.586) 28.217 0.533 ( -24.107 14.524 10.097) 29.901 1.025 ( -40.147 20.776 34.244) 56.711 3.261 ( -0.825 -0.778 1.493) 1.875 3.305 ( -7.016 -1.079 -0.768) 7.140 3.801 ( 3.315 -3.448 4.067) 6.279 4.012 ( 0.864 0.114 -4.614) 4.696 4.626 ( -2.658 -2.974 0.921) 4.094 4.984 ( 0.870 -4.034 -2.956) 5.076 5.061 ( 0.538 1.465 -3.229) 3.586 5.292 ( 3.185 -1.316 1.307) 3.685 5.654 ( 0.056 0.201 6.544) 6.547 5.864 ( 4.012 2.600 1.307) 4.957 7.110 ( -20.723 -47.494 16.471) 54.373 7.358 ( -20.977 -12.534 11.050) 26.819 8.398 ( -4.106 -23.922 13.399) 27.724 9.187 ( 22.949 25.245 -11.134) 35.887 9.472 ( 12.209 14.342 5.619) 19.655 9.719 ( -3.719 -8.507 1.956) 9.488 10.190 ( 3.220 7.540 -1.748) 8.383 10.892 ( -55.680 -25.669 -52.073) 80.441 11.264 ( -0.039 7.901 -1.711) 8.085 12.280 ( -18.579 -33.804 12.872) 40.664 12.518 ( -2.637 -1.359 -1.714) 3.426 13.326 ( 5.313 20.980 -22.033) 30.884 13.583 ( -1.489 51.186 -38.606) 64.130 14.386 ( 1.983 -0.655 -0.114) 2.092 16.196 ( 4.214 -4.648 -1.973) 6.577 16.822 ( 63.607 -15.986 110.421) 128.430 19.237 ( 8.138 16.495 -5.541) 19.210 19.768 ( -0.292 1.181 -1.266) 1.756 19.815 ( 2.020 2.807 4.452) 5.637 21.038 ( 6.975 -0.631 -7.402) 10.190 23.193 ( -43.570 -76.485 12.903) 88.965 24.235 ( 4.006 1.054 -1.948) 4.578 24.428 ( -1.084 19.262 -14.581) 24.183 ======================= Grid point 137 (48/432) ======================= q-point: ( 0.09 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 13.068 -0.000 21.620) 25.263 1.459 ( 7.357 -0.000 26.787) 27.779 2.630 ( 30.089 -0.000 31.155) 43.313 3.283 ( 7.986 -0.000 -4.918) 9.379 3.322 ( -6.902 0.000 8.439) 10.902 3.893 ( -4.228 0.000 3.852) 5.719 4.038 ( 1.464 -0.000 -3.969) 4.231 4.391 ( 4.865 -0.000 -14.819) 15.597 4.803 ( 5.047 -0.000 -7.563) 9.092 4.907 ( -16.293 0.000 0.412) 16.299 5.599 ( 1.631 -0.000 1.036) 1.932 5.847 ( -9.388 0.000 5.828) 11.050 6.124 ( -1.729 0.000 24.185) 24.247 6.750 ( -2.884 0.000 13.095) 13.409 7.202 ( -5.359 0.000 -10.124) 11.455 7.407 ( -3.877 0.000 12.248) 12.847 9.255 ( -4.700 0.000 14.896) 15.620 9.454 ( 6.100 -0.000 -4.743) 7.727 9.763 ( 0.341 -0.000 -5.327) 5.338 9.989 ( 7.003 -0.000 3.707) 7.924 10.937 ( -7.170 0.000 -7.687) 10.512 11.435 ( 34.750 -0.000 -3.854) 34.963 12.291 ( 2.409 -0.000 -7.329) 7.715 12.525 ( -6.181 0.000 19.648) 20.597 12.797 ( 5.402 -0.000 -9.416) 10.855 13.612 ( 2.500 -0.000 8.716) 9.067 14.233 ( -5.581 0.000 -3.394) 6.532 15.653 ( -11.066 0.000 -16.980) 20.268 18.966 ( -31.249 0.000 6.007) 31.821 19.057 ( 10.207 -0.000 -9.451) 13.911 19.518 ( -11.721 0.000 -5.606) 12.993 19.717 ( -23.400 0.000 11.361) 26.012 21.448 ( 8.968 -0.000 9.671) 13.189 21.718 ( 28.134 -0.000 -22.145) 35.804 23.707 ( 1.740 -0.000 2.709) 3.220 24.332 ( 1.084 -0.000 1.720) 2.033 ======================= Grid point 138 (49/432) ======================= q-point: ( 0.18 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 14.248 -2.680 18.745) 23.698 1.884 ( 8.609 -7.474 23.749) 26.344 3.176 ( 7.179 1.899 6.208) 9.679 3.307 ( 5.658 4.073 -3.707) 7.896 3.445 ( 12.576 -2.624 18.014) 22.126 3.857 ( -0.049 -1.139 -3.920) 4.082 3.953 ( -1.411 8.470 -6.054) 10.507 4.307 ( 5.301 -4.374 -14.586) 16.124 4.718 ( -8.445 3.684 4.768) 10.374 4.846 ( 0.760 -6.448 -2.220) 6.861 5.592 ( -2.066 1.003 -1.771) 2.900 5.796 ( -9.425 -0.059 7.692) 12.165 6.371 ( -4.744 1.758 27.777) 28.234 6.813 ( 1.211 8.614 7.419) 11.433 7.010 ( -7.267 -2.123 -10.622) 13.044 7.531 ( -5.171 -8.204 13.034) 16.246 9.261 ( -8.176 7.131 4.696) 11.821 9.443 ( -7.174 -9.808 -0.815) 12.178 9.865 ( 15.975 5.130 3.573) 17.154 10.125 ( 6.600 -1.683 3.977) 7.887 10.744 ( -4.034 3.346 -6.607) 8.434 11.854 ( 26.970 -4.929 -0.849) 27.430 12.251 ( 4.912 3.992 -6.549) 9.108 12.568 ( -2.553 10.612 6.675) 12.794 12.857 ( 0.147 -19.444 -0.603) 19.453 13.771 ( 5.262 -1.474 9.032) 10.557 14.106 ( -6.971 1.440 -3.350) 7.867 15.298 ( -12.109 1.758 -16.503) 20.545 18.655 ( -18.370 4.151 -0.124) 18.833 19.089 ( 12.829 3.222 -9.520) 16.297 19.310 ( -11.758 -3.015 -5.421) 13.294 19.539 ( -20.981 0.153 9.618) 23.081 21.609 ( 10.921 11.257 2.303) 15.852 21.860 ( 17.715 -10.734 -12.622) 24.256 23.785 ( 3.728 -3.270 1.601) 5.211 24.360 ( -0.261 0.464 2.304) 2.365 ======================= Grid point 139 (50/432) ======================= q-point: ( 0.27 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 12.708 -1.798 14.030) 19.015 2.326 ( 7.822 -11.422 20.341) 24.605 3.147 ( -4.498 4.251 0.194) 6.192 3.232 ( -2.704 6.628 -5.090) 8.783 3.703 ( -4.906 14.433 -10.223) 18.355 3.788 ( 13.140 0.654 -1.912) 13.294 3.979 ( 14.746 -8.404 3.631) 17.357 4.255 ( -2.101 -8.437 -8.980) 12.499 4.722 ( -1.515 0.643 9.654) 9.793 4.880 ( -0.922 -5.550 -1.263) 5.766 5.473 ( -6.430 3.430 -6.610) 9.839 5.785 ( -5.652 1.267 8.870) 10.594 6.560 ( -11.240 4.917 23.503) 26.513 6.769 ( -6.729 -1.103 -0.389) 6.830 6.890 ( -1.180 1.912 2.993) 3.742 7.707 ( -2.622 -10.129 13.967) 17.451 9.077 ( -10.309 8.732 -1.741) 13.622 9.418 ( -11.280 -13.248 -0.053) 17.400 10.007 ( 11.115 15.410 2.204) 19.128 10.279 ( 5.802 0.007 2.698) 6.399 10.722 ( 6.394 -8.813 1.161) 10.950 12.037 ( 4.945 17.911 -5.708) 19.438 12.298 ( 16.965 -2.776 -0.265) 17.193 12.550 ( 2.894 0.306 1.054) 3.095 13.043 ( -1.863 -18.800 5.235) 19.604 13.916 ( -2.211 3.440 -0.712) 4.151 14.005 ( 1.794 -3.657 4.292) 5.917 14.965 ( -9.960 1.930 -12.267) 15.919 18.384 ( -10.466 2.072 -10.814) 15.191 19.091 ( 0.438 -0.303 -9.445) 9.460 19.188 ( 4.289 1.541 -2.254) 5.084 19.408 ( -15.995 -0.441 11.157) 19.507 21.613 ( 11.429 11.610 -9.048) 18.636 22.062 ( 6.679 -11.958 1.279) 13.756 23.891 ( 5.687 -3.385 1.017) 6.695 24.366 ( -1.712 1.772 2.644) 3.614 ======================= Grid point 140 (51/432) ======================= q-point: ( 0.36 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 8.298 1.943 5.619) 10.208 2.670 ( -1.148 -6.353 12.030) 13.653 3.060 ( -4.132 5.318 -4.586) 8.147 3.077 ( -0.789 0.811 2.792) 3.013 3.394 ( -5.659 12.316 -9.177) 16.368 3.894 ( 10.887 -2.913 -8.333) 14.016 4.158 ( -3.869 -4.788 -3.883) 7.279 4.269 ( 4.180 -8.942 1.578) 9.996 4.822 ( 0.936 -1.456 5.333) 5.607 4.904 ( -0.450 -4.671 1.696) 4.990 5.228 ( -8.264 5.341 -11.660) 15.257 5.813 ( -1.948 4.110 8.063) 9.258 6.416 ( -12.735 2.312 -5.320) 13.994 6.828 ( -14.541 -4.020 19.799) 24.892 6.961 ( -0.694 1.193 16.048) 16.107 7.945 ( 0.967 -11.593 13.710) 17.980 8.826 ( -11.248 8.553 -4.077) 14.707 9.376 ( -10.745 -14.187 -1.475) 17.858 9.967 ( -0.306 9.102 -1.526) 9.234 10.302 ( 5.926 9.680 -2.664) 11.658 11.045 ( 14.512 -13.909 7.998) 21.634 11.774 ( -0.044 26.823 -7.562) 27.869 12.505 ( 8.198 0.334 1.504) 8.342 12.681 ( 8.548 -2.908 5.150) 10.395 13.219 ( -1.358 -13.949 4.725) 14.790 13.778 ( -3.908 5.217 -2.109) 6.851 14.131 ( 1.856 -4.085 -2.410) 5.093 14.796 ( -0.999 -1.634 -0.509) 1.982 18.081 ( -8.257 -1.406 -21.140) 22.739 18.987 ( -3.342 -1.946 -2.983) 4.884 19.265 ( 11.681 2.892 -3.776) 12.612 19.393 ( -7.466 -0.374 13.785) 15.681 21.536 ( 9.083 9.072 -12.547) 17.951 22.243 ( -1.400 -11.560 6.758) 13.463 24.009 ( 6.839 -2.343 0.695) 7.262 24.345 ( -2.611 3.639 2.882) 5.326 ======================= Grid point 141 (52/432) ======================= q-point: (-0.55 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( -1.397 11.072 -7.814) 13.623 2.577 ( -13.545 8.906 -1.352) 16.267 2.980 ( -0.596 1.547 2.787) 3.243 3.173 ( -4.601 0.143 -1.003) 4.711 3.295 ( 7.215 -9.020 6.169) 13.095 3.851 ( -8.806 -2.644 -8.810) 12.734 4.108 ( 0.132 1.125 -4.353) 4.498 4.328 ( -3.666 -5.231 0.755) 6.432 4.874 ( -4.167 -1.655 -1.133) 4.625 4.976 ( -0.525 -2.033 -6.920) 7.231 4.995 ( 4.548 -3.009 -0.795) 5.511 5.832 ( -0.236 6.920 5.758) 9.006 6.169 ( -11.014 -0.392 -8.376) 13.843 6.828 ( -18.754 -3.515 14.901) 24.210 7.179 ( -6.618 -2.797 26.934) 27.876 8.210 ( -0.080 -8.719 14.264) 16.718 8.579 ( -5.619 2.842 -8.114) 10.271 9.348 ( -9.722 -13.865 -0.559) 16.943 9.860 ( -4.214 -0.047 -3.707) 5.613 10.222 ( 3.547 13.427 -5.530) 14.948 11.424 ( 14.236 -10.137 5.768) 18.404 11.472 ( 1.944 30.192 -4.590) 30.601 12.577 ( 0.811 0.888 2.942) 3.178 12.824 ( 0.512 4.245 6.763) 8.001 13.323 ( 0.801 -5.495 -0.029) 5.554 13.764 ( 5.754 -0.996 2.302) 6.277 14.037 ( -5.949 0.768 -7.488) 9.595 14.965 ( 10.138 -7.712 8.580) 15.358 17.714 ( -7.491 -4.176 -29.487) 30.709 18.996 ( 0.337 -3.532 3.878) 5.256 19.331 ( 8.287 2.755 -2.499) 9.084 19.525 ( 3.619 1.066 12.641) 13.192 21.425 ( 6.827 6.237 -14.181) 16.929 22.368 ( -9.308 -12.350 10.110) 18.477 24.118 ( 6.552 -0.525 0.776) 6.618 24.307 ( -2.215 5.477 3.068) 6.657 ======================= Grid point 142 (53/432) ======================= q-point: (-0.45 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -8.727 17.227 -11.938) 22.704 2.249 ( -16.586 13.800 -3.456) 21.851 3.043 ( 0.939 -1.907 5.183) 5.602 3.140 ( -3.183 -5.450 0.325) 6.320 3.457 ( -12.091 4.499 -5.661) 14.088 3.550 ( -8.557 -4.659 -3.432) 10.330 4.028 ( -5.198 -3.862 -0.074) 6.476 4.372 ( 2.291 -2.304 1.560) 3.605 4.730 ( -4.065 -1.532 -7.503) 8.670 4.991 ( 2.626 0.665 0.127) 2.711 5.138 ( 5.288 -12.929 -2.024) 14.114 5.807 ( -2.180 6.273 0.831) 6.692 5.972 ( -4.618 0.905 -5.755) 7.434 6.736 ( -26.879 -5.357 15.582) 31.527 7.400 ( -10.886 -4.594 25.672) 28.261 8.250 ( -9.481 8.645 7.055) 14.642 8.620 ( 10.353 -17.513 -3.903) 20.715 9.334 ( -10.067 -13.275 0.805) 16.680 9.801 ( -2.748 -5.805 -2.827) 7.018 10.066 ( 0.936 12.659 -5.808) 13.959 11.225 ( 3.963 31.021 -0.493) 31.277 11.689 ( 10.383 -5.273 -0.036) 11.646 12.587 ( -3.057 1.605 3.702) 5.063 12.760 ( -9.359 10.536 5.223) 15.029 13.369 ( 6.037 -0.209 -4.263) 7.393 13.854 ( -4.092 -2.076 -2.152) 5.068 13.984 ( 8.625 0.814 7.903) 11.726 15.306 ( 13.760 -10.150 8.879) 19.267 17.298 ( -5.699 -5.906 -36.340) 37.255 19.122 ( 2.310 -4.418 8.041) 9.461 19.402 ( 10.083 3.845 -0.754) 10.818 19.718 ( 7.332 2.812 10.561) 13.161 21.293 ( 4.687 3.712 -15.221) 16.353 22.433 ( -17.562 -14.810 12.524) 26.165 24.208 ( 5.565 1.297 1.821) 5.997 24.273 ( -0.441 6.764 3.617) 7.683 ======================= Grid point 143 (54/432) ======================= q-point: (-0.36 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -12.294 19.685 -8.667) 24.774 1.837 ( -19.510 16.160 -5.462) 25.916 2.816 ( -31.035 21.047 -7.225) 38.188 3.137 ( 2.497 -1.086 2.747) 3.868 3.257 ( -1.806 -8.373 3.596) 9.290 3.533 ( -5.384 -9.929 -5.522) 12.573 4.062 ( -3.000 -3.240 5.756) 7.255 4.425 ( 2.407 -4.783 -2.629) 5.965 4.674 ( -0.725 -4.676 -0.764) 4.793 5.020 ( 1.720 -0.225 0.668) 1.859 5.263 ( 2.886 -13.030 -6.114) 14.679 5.691 ( -4.742 2.717 -2.939) 6.205 5.916 ( 3.338 5.221 -0.563) 6.223 6.578 ( -34.627 -9.733 17.855) 40.157 7.514 ( -16.462 -3.472 19.320) 25.619 8.159 ( -1.505 7.068 3.724) 8.129 8.872 ( 9.724 -17.754 -3.655) 20.570 9.332 ( -9.858 -14.374 2.243) 17.574 9.769 ( 0.408 4.893 -4.061) 6.372 10.000 ( 0.410 -3.841 3.442) 5.174 11.038 ( 3.202 27.486 2.015) 27.746 11.768 ( 4.248 0.817 -6.674) 7.953 12.550 ( -11.255 6.939 6.983) 14.953 12.585 ( -4.321 7.150 0.576) 8.374 13.364 ( 5.086 1.890 -7.389) 9.167 13.879 ( 0.650 -1.599 9.851) 10.001 14.207 ( 11.023 3.424 9.480) 14.937 15.669 ( 13.894 -10.800 6.696) 18.829 16.842 ( -4.173 -5.639 -41.999) 42.581 19.273 ( 4.651 -0.845 5.391) 7.170 19.531 ( 10.999 2.539 3.820) 11.918 19.883 ( 7.245 6.206 7.231) 11.971 21.152 ( 3.427 1.387 -14.750) 15.206 22.435 ( -26.629 -19.474 14.007) 35.841 24.252 ( 4.111 3.066 -2.546) 5.725 24.311 ( 2.885 6.389 11.234) 13.241 ======================= Grid point 144 (55/432) ======================= q-point: (-0.27 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -14.205 21.091 -2.192) 25.523 1.337 ( -23.695 17.117 -7.682) 30.223 2.127 ( -30.507 33.676 1.860) 45.477 3.200 ( 0.640 -2.086 2.043) 2.989 3.317 ( -7.652 -7.096 2.352) 10.698 3.541 ( 1.430 -10.220 0.022) 10.320 4.062 ( -1.556 0.030 -2.236) 2.724 4.479 ( -2.096 -9.114 1.173) 9.425 4.763 ( 4.283 -6.408 2.623) 8.142 5.057 ( 1.442 -0.653 1.606) 2.255 5.267 ( -1.828 -9.737 -10.872) 14.709 5.628 ( -1.184 1.809 2.394) 3.225 5.922 ( 4.110 5.259 -0.071) 6.675 6.415 ( -41.818 -17.656 22.976) 50.876 7.462 ( -19.785 -0.360 12.502) 23.407 8.184 ( 4.665 3.110 3.551) 6.636 9.071 ( 9.454 -14.343 -7.187) 18.621 9.374 ( -8.153 -16.877 2.858) 18.960 9.687 ( 3.624 9.489 -1.205) 10.228 10.163 ( -0.703 -12.413 8.458) 15.037 10.886 ( -1.198 18.759 2.431) 18.954 11.647 ( -1.868 7.185 -10.162) 12.585 12.351 ( -11.856 12.857 5.592) 18.361 12.548 ( -1.902 0.750 0.712) 2.165 13.348 ( 4.029 0.620 -3.354) 5.279 14.072 ( 6.321 -5.587 6.799) 10.835 14.435 ( 15.192 10.656 11.106) 21.626 15.986 ( 12.869 -10.292 1.920) 16.590 16.353 ( -5.903 -0.323 -32.359) 32.894 19.382 ( 10.820 4.990 -0.073) 11.916 19.706 ( 7.869 1.081 6.024) 9.968 19.946 ( 3.812 9.799 2.804) 10.882 21.048 ( 4.668 -0.724 -11.919) 12.821 22.374 ( -37.725 -27.092 15.447) 48.946 24.252 ( 4.019 2.663 -2.462) 5.414 24.455 ( 4.916 4.944 12.954) 14.711 ======================= Grid point 145 (56/432) ======================= q-point: (-0.18 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -15.907 20.537 4.541) 26.371 0.861 ( -14.530 22.590 7.087) 27.778 1.566 ( -24.285 38.737 19.181) 49.581 3.228 ( -2.935 -3.865 0.651) 4.897 3.277 ( -3.273 -1.304 0.654) 3.583 3.688 ( 1.626 -9.759 4.594) 10.908 4.010 ( 1.583 -0.430 -5.931) 6.154 4.533 ( -3.100 -7.768 1.409) 8.482 4.889 ( 2.776 -6.876 -1.338) 7.535 5.072 ( -0.999 -0.400 -3.702) 3.855 5.246 ( 3.826 -4.261 2.884) 6.412 5.662 ( -0.441 0.580 6.503) 6.544 5.926 ( 0.864 3.291 1.182) 3.601 6.304 ( -52.507 -30.080 32.210) 68.551 7.332 ( -16.430 1.281 9.380) 18.962 8.267 ( 2.586 -1.261 1.111) 3.084 9.191 ( 9.795 -9.708 -13.838) 19.537 9.458 ( -4.659 -17.245 1.626) 17.937 9.743 ( 13.065 3.906 4.493) 14.357 10.252 ( -11.312 -10.107 -1.591) 15.253 10.658 ( -13.502 14.811 -8.740) 21.864 11.463 ( 1.643 14.196 0.740) 14.310 12.187 ( -9.581 9.644 8.670) 16.124 12.521 ( -1.102 0.401 -1.454) 1.868 13.377 ( 3.225 0.061 -0.483) 3.261 14.131 ( 5.136 2.724 -28.411) 29.000 14.473 ( 7.229 13.873 -19.775) 25.215 16.082 ( 4.603 -7.948 -5.422) 10.666 16.552 ( 20.507 -13.514 57.654) 62.667 19.492 ( 21.316 10.634 -5.199) 24.382 19.795 ( 1.738 2.054 -2.985) 4.019 19.917 ( 0.153 9.040 5.249) 10.455 21.020 ( 6.558 -1.518 -8.403) 10.767 22.230 ( -54.188 -36.158 17.289) 67.399 24.258 ( 3.305 1.808 -1.772) 4.163 24.570 ( -0.139 2.348 -1.784) 2.952 ======================= Grid point 146 (57/432) ======================= q-point: (-0.09 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -1.645 20.213 17.553) 26.822 0.795 ( 11.990 14.863 25.512) 31.868 1.368 ( -8.216 27.937 41.080) 50.354 3.216 ( -0.697 -3.317 -1.857) 3.865 3.294 ( -0.692 0.012 4.380) 4.435 3.815 ( -2.506 -6.865 5.857) 9.365 3.996 ( 4.884 -1.327 -5.175) 7.238 4.537 ( -1.545 -4.643 -4.646) 6.748 4.912 ( 0.705 -3.454 -7.062) 7.893 5.080 ( 10.146 -2.451 -3.251) 10.933 5.436 ( 4.214 -2.396 8.568) 9.844 5.752 ( -0.622 0.274 11.188) 11.208 5.916 ( -3.541 0.507 3.545) 5.037 6.308 ( -54.846 -44.147 42.662) 82.323 7.252 ( -8.566 1.188 8.137) 11.874 8.135 ( -15.682 11.856 -12.560) 23.330 9.142 ( 5.665 1.245 -16.602) 17.586 9.570 ( -1.637 -9.192 0.570) 9.354 9.776 ( -17.099 18.585 -5.779) 25.907 10.060 ( 3.912 -10.289 -1.138) 11.066 10.379 ( 14.688 10.675 0.306) 18.160 11.445 ( 7.869 19.529 1.015) 21.079 12.176 ( -7.691 -2.480 15.726) 17.680 12.473 ( -0.833 0.481 -4.517) 4.618 13.297 ( 4.140 29.904 -29.047) 41.894 13.499 ( -5.693 11.133 -4.083) 13.154 14.373 ( -1.228 -0.884 -1.903) 2.431 16.101 ( -1.381 -6.658 -9.434) 11.629 18.114 ( 29.029 -66.804 50.522) 88.645 19.654 ( 6.527 7.140 -9.475) 13.541 19.695 ( 15.594 0.149 -7.901) 17.482 19.913 ( 2.012 7.535 2.901) 8.321 21.040 ( 2.190 -4.222 -2.378) 5.318 21.888 ( -61.426 -21.546 15.876) 67.003 24.163 ( -15.936 26.928 -19.236) 36.730 24.273 ( 2.324 1.499 -0.710) 2.855 ======================= Grid point 149 (58/432) ======================= q-point: ( 0.18 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 13.445 -0.000 17.458) 22.035 2.212 ( 8.076 -0.000 20.207) 21.761 3.185 ( -4.600 0.000 -0.594) 4.638 3.296 ( -2.981 0.000 -4.922) 5.755 3.797 ( 3.252 -0.000 -9.956) 10.473 3.857 ( 19.567 -0.000 8.583) 21.367 3.915 ( -0.700 0.000 -3.562) 3.631 4.136 ( -0.907 0.000 -15.840) 15.866 4.735 ( -1.540 0.000 10.489) 10.601 4.826 ( -1.292 0.000 0.081) 1.294 5.500 ( -5.776 0.000 -6.824) 8.940 5.797 ( -5.355 0.000 9.912) 11.266 6.608 ( -11.502 0.000 30.881) 32.953 6.757 ( -9.031 0.000 -12.210) 15.187 6.909 ( -0.349 0.000 3.715) 3.731 7.609 ( -4.856 0.000 17.749) 18.402 9.194 ( -16.209 0.000 2.894) 16.465 9.261 ( -5.127 0.000 -4.235) 6.650 10.178 ( -2.185 0.000 -0.452) 2.232 10.247 ( 23.893 -0.000 9.373) 25.665 10.645 ( 0.836 -0.000 -4.692) 4.766 12.208 ( 25.294 -0.000 2.902) 25.460 12.283 ( 8.648 -0.000 -8.229) 11.938 12.634 ( 1.540 -0.000 -8.956) 9.087 12.772 ( -7.297 0.000 17.661) 19.109 13.938 ( 7.246 -0.000 6.297) 9.600 13.982 ( -7.372 0.000 -2.815) 7.891 14.981 ( -10.924 0.000 -12.742) 16.784 18.403 ( -11.541 0.000 -12.657) 17.129 19.076 ( -6.391 0.000 -6.278) 8.959 19.207 ( 11.020 -0.000 -5.859) 12.481 19.410 ( -16.080 0.000 11.541) 19.793 21.803 ( 17.426 -0.000 -22.506) 28.464 21.870 ( 0.870 -0.000 13.821) 13.848 23.861 ( 6.232 -0.000 1.860) 6.504 24.381 ( -1.504 0.000 3.031) 3.384 ======================= Grid point 150 (59/432) ======================= q-point: ( 0.27 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 9.946 3.806 11.800) 15.895 2.534 ( 4.823 -7.298 14.011) 16.518 3.101 ( -4.000 1.063 -1.130) 4.290 3.141 ( -8.149 3.146 -4.463) 9.810 3.603 ( -7.079 9.572 -11.490) 16.546 3.878 ( 5.312 2.171 -10.672) 12.117 4.021 ( 0.889 -10.220 -5.243) 11.521 4.158 ( 11.034 -3.644 3.390) 12.104 4.777 ( -5.743 -2.071 -0.730) 6.149 4.881 ( 3.217 0.133 9.462) 9.995 5.284 ( -8.624 1.491 -13.090) 15.746 5.865 ( -0.954 1.758 9.770) 9.973 6.473 ( -11.426 3.501 -10.062) 15.622 6.748 ( -19.965 -4.153 25.242) 32.451 6.979 ( -0.131 0.607 12.066) 12.082 7.784 ( -1.933 -5.739 16.480) 17.557 8.944 ( -15.286 4.781 -3.612) 16.419 9.198 ( -6.030 -6.435 -1.048) 8.882 10.031 ( -10.365 0.851 -6.524) 12.277 10.542 ( 13.097 16.122 1.681) 20.839 10.806 ( 16.219 -14.741 6.832) 22.957 12.203 ( 7.593 19.966 -9.038) 23.194 12.523 ( 10.363 2.985 3.146) 11.233 12.630 ( 10.288 -3.943 3.078) 11.440 12.944 ( -4.790 -15.268 11.810) 19.888 13.853 ( -5.428 2.889 -1.727) 6.387 14.069 ( 4.951 -2.462 -2.336) 6.002 14.775 ( -4.328 -0.734 -3.243) 5.458 18.066 ( -9.951 -0.451 -22.180) 24.314 18.953 ( -5.604 -1.361 -0.988) 5.851 19.304 ( 14.005 1.514 -6.512) 15.519 19.395 ( -6.722 0.056 13.084) 14.710 21.705 ( 10.749 9.290 -17.356) 22.429 22.050 ( -2.898 -9.847 9.646) 14.085 23.979 ( 7.517 -0.999 1.851) 7.806 24.387 ( -2.398 1.295 3.611) 4.524 ======================= Grid point 151 (60/432) ======================= q-point: (-0.64 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 2.266 8.568 -1.953) 9.075 2.650 ( -7.957 -0.362 0.352) 7.973 3.012 ( -3.518 1.620 2.374) 4.543 3.122 ( -0.669 -4.813 7.248) 8.726 3.300 ( -5.856 7.922 -8.544) 13.040 3.767 ( -5.945 -6.578 -9.354) 12.889 4.116 ( 5.589 -1.742 -0.196) 5.857 4.281 ( 1.455 1.030 0.306) 1.809 4.735 ( -2.311 -9.688 -2.829) 10.354 4.968 ( -8.402 1.353 -2.778) 8.952 5.014 ( 2.010 0.639 -7.758) 8.039 5.938 ( 0.857 4.921 7.408) 8.935 6.184 ( -11.497 2.412 -9.171) 14.903 6.742 ( -24.447 -6.096 18.883) 31.486 7.151 ( -4.143 -0.749 21.624) 22.030 8.016 ( 1.022 -10.340 13.306) 16.882 8.657 ( -13.062 4.108 -6.610) 15.205 9.177 ( -5.601 -6.626 0.849) 8.717 9.805 ( -11.476 -3.611 -8.291) 14.610 10.499 ( 5.084 15.861 -4.275) 17.195 11.246 ( 18.412 -10.053 7.944) 22.432 12.003 ( 7.075 30.167 -4.314) 31.285 12.590 ( 0.195 1.100 4.074) 4.224 12.871 ( 8.266 0.802 6.665) 10.649 13.134 ( -2.518 -15.469 6.548) 16.986 13.792 ( 3.068 3.211 0.426) 4.461 14.020 ( -2.764 -2.134 -9.818) 10.420 14.849 ( 7.393 -5.496 6.151) 11.077 17.660 ( -10.054 -2.193 -27.970) 29.803 18.944 ( -0.795 -2.322 4.378) 5.019 19.388 ( 11.482 3.626 -3.755) 12.613 19.527 ( 4.282 -0.909 11.118) 11.949 21.554 ( 6.831 8.435 -16.437) 19.697 22.165 ( -9.162 -11.123 9.176) 17.084 24.106 ( 7.393 -0.704 1.617) 7.600 24.380 ( -2.417 3.041 4.097) 5.646 ======================= Grid point 152 (61/432) ======================= q-point: (-0.55 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -5.596 14.645 -10.536) 18.889 2.427 ( -14.316 7.412 -4.777) 16.813 3.041 ( -3.161 1.457 6.648) 7.504 3.065 ( -5.684 -2.837 -1.434) 6.513 3.324 ( 0.219 -10.681 0.819) 10.715 3.632 ( -8.467 2.364 -3.235) 9.367 4.033 ( -8.299 6.762 -2.174) 10.923 4.325 ( 3.765 -2.678 1.799) 4.958 4.700 ( -4.294 -2.427 -12.172) 13.133 4.865 ( 1.779 -14.661 -2.637) 15.003 5.033 ( 0.919 0.060 -0.377) 0.995 5.910 ( -8.094 5.520 -2.640) 10.147 5.998 ( 0.323 2.461 -0.207) 2.491 6.635 ( -30.812 -6.783 16.977) 35.828 7.342 ( -7.384 -2.258 22.341) 23.638 8.264 ( -1.185 -10.285 12.155) 15.967 8.416 ( -4.369 -1.185 -9.731) 10.732 9.172 ( -5.996 -6.364 1.598) 8.889 9.634 ( -9.582 -9.801 -6.525) 15.181 10.343 ( 1.878 15.834 -6.375) 17.172 11.593 ( 14.319 -3.609 3.525) 15.182 11.806 ( 7.585 33.548 0.413) 34.397 12.605 ( -3.754 0.822 4.036) 5.573 12.914 ( -6.014 7.528 5.316) 11.005 13.291 ( 3.607 -10.182 1.159) 10.864 13.802 ( -1.034 -1.714 -8.421) 8.656 13.999 ( 8.489 -0.083 7.399) 11.261 15.129 ( 12.719 -10.125 6.247) 17.416 17.219 ( -9.468 -3.385 -31.215) 32.795 19.065 ( 4.458 -2.421 8.573) 9.962 19.472 ( 11.932 4.287 -2.532) 12.929 19.744 ( 8.764 0.207 10.599) 13.754 21.378 ( 3.918 6.193 -16.421) 17.982 22.200 ( -16.502 -12.655 9.114) 22.705 24.215 ( 6.294 0.062 1.198) 6.407 24.371 ( -1.315 4.564 4.934) 6.849 ======================= Grid point 153 (62/432) ======================= q-point: (-0.45 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -9.227 18.908 -9.264) 22.988 2.069 ( -17.568 11.907 -7.015) 22.352 3.001 ( -11.176 -1.432 4.912) 12.291 3.092 ( -4.580 -4.874 3.466) 7.533 3.338 ( -5.371 -2.786 -6.277) 8.719 3.359 ( -5.964 11.980 -3.840) 13.923 3.988 ( -3.124 -4.362 7.889) 9.541 4.367 ( -0.371 -2.279 -4.230) 4.819 4.592 ( -0.465 -5.133 -4.085) 6.576 4.979 ( 1.764 -8.926 -2.527) 9.443 5.046 ( 0.660 -8.172 -3.294) 8.836 5.738 ( -6.284 2.673 -2.524) 7.280 5.998 ( 1.796 4.542 1.051) 4.996 6.439 ( -35.691 -7.379 16.350) 39.945 7.470 ( -11.276 -1.602 18.110) 21.394 8.233 ( -4.084 1.866 -1.312) 4.678 8.547 ( 5.216 -18.190 1.184) 18.960 9.159 ( -6.209 -6.831 1.061) 9.292 9.577 ( -8.135 -15.908 -3.088) 18.133 10.181 ( 2.925 14.389 -3.509) 15.097 11.592 ( 6.342 34.869 2.312) 35.516 11.798 ( 8.796 3.155 -1.406) 9.450 12.574 ( -5.984 0.055 3.018) 6.702 12.770 ( -9.930 10.488 3.572) 14.878 13.381 ( 5.755 -0.964 -6.110) 8.449 13.763 ( -1.856 -9.572 0.910) 9.793 14.268 ( 13.737 2.688 12.356) 18.671 15.461 ( 13.631 -13.298 3.387) 19.342 16.771 ( -8.369 -2.751 -31.651) 32.854 19.267 ( 9.828 0.056 7.308) 12.247 19.580 ( 10.885 3.149 0.999) 11.375 19.969 ( 9.994 3.864 9.168) 14.102 21.191 ( 2.035 3.307 -16.098) 16.559 22.147 ( -24.641 -15.062 8.832) 30.200 24.285 ( 4.401 1.375 -0.911) 4.700 24.400 ( 1.151 4.081 7.898) 8.964 ======================= Grid point 154 (63/432) ======================= q-point: (-0.36 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -11.236 20.838 -4.818) 24.160 1.622 ( -18.621 17.222 -6.096) 26.086 2.675 ( -20.353 28.277 2.774) 34.950 3.125 ( -6.900 -9.172 3.059) 11.878 3.253 ( 3.865 3.715 1.205) 5.495 3.343 ( -1.788 -12.490 -1.289) 12.683 4.055 ( -2.043 -1.159 1.476) 2.774 4.328 ( -3.252 -8.190 -1.622) 8.960 4.653 ( 2.715 -6.549 1.282) 7.205 5.022 ( 0.999 -3.927 -0.054) 4.052 5.086 ( -0.326 -11.397 -6.782) 13.266 5.657 ( -2.940 1.545 2.070) 3.914 5.978 ( -5.746 1.040 3.196) 6.657 6.223 ( -31.159 -6.252 15.059) 35.167 7.467 ( -14.884 1.144 12.123) 19.230 8.207 ( 2.965 -0.817 -1.943) 3.638 8.769 ( 3.826 -18.580 0.225) 18.971 9.162 ( -4.247 -8.930 0.296) 9.893 9.576 ( -9.704 -17.488 -2.347) 20.137 10.135 ( 5.257 7.771 2.325) 9.666 11.390 ( 4.045 36.096 2.286) 36.394 11.785 ( 2.908 8.557 -4.459) 10.078 12.522 ( -7.136 1.758 3.177) 8.006 12.597 ( -6.356 9.687 2.004) 11.758 13.366 ( 4.160 1.401 -4.905) 6.583 13.900 ( 2.082 -13.394 2.202) 13.732 14.560 ( 14.088 4.461 10.544) 18.153 15.765 ( 12.460 -15.194 -2.229) 19.775 16.362 ( -7.108 1.123 -20.086) 21.336 19.458 ( 15.547 3.968 -0.507) 16.054 19.728 ( 7.596 1.374 5.957) 9.750 20.112 ( 6.487 9.576 5.426) 12.775 21.038 ( 3.359 -0.240 -13.514) 13.927 22.006 ( -32.768 -17.876 9.112) 38.423 24.297 ( 3.102 2.636 -1.786) 4.445 24.501 ( 2.441 1.216 8.227) 8.667 ======================= Grid point 155 (64/432) ======================= q-point: (-0.27 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -10.919 22.194 3.526) 24.984 1.253 ( -8.193 23.512 4.272) 25.262 2.218 ( -15.245 36.935 8.982) 40.954 3.125 ( -6.072 -8.088 0.664) 10.136 3.282 ( 2.204 2.422 1.367) 3.548 3.485 ( -0.046 -14.096 5.375) 15.086 4.001 ( 0.128 -0.544 -6.867) 6.889 4.381 ( -3.005 -9.773 2.515) 10.529 4.763 ( 2.099 -7.916 -0.112) 8.190 5.046 ( -0.417 -2.583 -3.328) 4.233 5.143 ( 3.625 -8.123 3.870) 9.700 5.666 ( -3.159 -0.244 6.949) 7.637 5.882 ( -27.732 -7.896 14.910) 32.461 6.099 ( -10.393 0.892 6.767) 12.434 7.368 ( -13.574 3.086 8.554) 16.339 8.247 ( 3.627 -2.279 -2.852) 5.146 8.965 ( 4.897 -16.255 -2.127) 17.109 9.199 ( -2.363 -11.899 -1.937) 12.285 9.586 ( -6.712 -18.108 -0.134) 19.313 10.175 ( 0.609 2.599 0.910) 2.820 11.123 ( 0.168 34.522 -2.720) 34.629 11.700 ( 2.853 13.399 2.515) 13.928 12.397 ( -7.264 12.521 5.428) 15.460 12.525 ( -1.684 0.525 -1.065) 2.061 13.381 ( 3.594 0.626 -0.107) 3.650 14.016 ( 1.692 -11.787 -8.284) 14.506 14.663 ( 6.456 7.422 -15.822) 18.630 15.922 ( 6.737 -11.808 -11.671) 17.917 16.380 ( 6.373 -6.868 31.546) 32.908 19.606 ( 18.202 4.007 -6.481) 19.732 19.836 ( 3.407 2.722 0.091) 4.362 20.099 ( -0.287 12.107 3.798) 12.692 20.991 ( 6.524 -1.838 -9.209) 11.435 21.809 ( -36.369 -17.982 11.317) 42.120 24.294 ( 2.597 2.430 -1.492) 3.857 24.578 ( -1.242 -0.620 1.134) 1.793 ======================= Grid point 156 (65/432) ======================= q-point: (-0.18 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 9.991 19.176 18.640) 28.548 1.098 ( 1.224 23.687 12.155) 26.652 1.926 ( -6.320 35.512 22.843) 42.695 3.134 ( -1.177 -6.383 -1.119) 6.586 3.305 ( -0.605 1.584 3.745) 4.111 3.654 ( -2.172 -11.904 7.095) 14.027 3.955 ( 3.398 -3.477 -7.967) 9.333 4.437 ( -0.499 -6.657 -1.165) 6.777 4.816 ( -0.307 -7.488 -4.516) 8.749 5.051 ( 4.511 -1.146 -1.422) 4.866 5.365 ( 5.894 -6.754 8.889) 12.624 5.742 ( -7.797 -5.721 17.149) 19.688 5.782 ( -24.574 -7.432 20.032) 32.564 6.050 ( -5.628 2.103 4.889) 7.746 7.284 ( -8.477 2.688 7.214) 11.451 8.216 ( -3.942 0.681 -6.781) 7.873 9.073 ( 7.242 -7.029 -11.564) 15.348 9.284 ( -2.416 -19.309 1.723) 19.536 9.747 ( 1.746 -20.988 3.450) 21.341 10.055 ( -5.868 11.839 -3.980) 13.800 10.787 ( 0.314 31.800 -4.608) 32.133 11.722 ( 6.666 13.418 8.160) 17.061 12.283 ( -5.124 11.973 7.648) 15.102 12.480 ( -0.796 0.381 -3.800) 3.901 13.434 ( 3.801 1.774 1.917) 4.612 13.817 ( -2.529 9.703 -30.925) 32.510 14.402 ( -2.528 5.836 -9.041) 11.054 15.951 ( 0.364 -10.724 -10.508) 15.019 17.257 ( 15.753 -36.402 52.919) 66.133 19.658 ( -1.871 -1.179 -12.070) 12.271 19.782 ( 7.435 5.543 -5.047) 10.558 20.041 ( -2.298 7.965 2.223) 8.583 20.991 ( 2.654 -1.490 -3.934) 4.974 21.664 ( -19.182 -8.809 10.804) 23.713 24.294 ( 1.930 1.820 -0.812) 2.775 24.426 ( -9.872 7.354 -10.982) 16.497 ======================= Grid point 157 (66/432) ======================= q-point: (-0.09 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 9.358 19.818 13.949) 25.978 1.339 ( 10.686 16.145 20.883) 28.477 2.087 ( 15.396 19.669 36.646) 44.349 3.176 ( 3.625 -5.089 -3.174) 7.008 3.319 ( -4.935 0.163 6.403) 8.086 3.784 ( -3.446 -8.321 7.643) 11.812 3.958 ( 3.645 -5.786 -7.601) 10.225 4.452 ( 3.232 -2.134 -6.251) 7.354 4.780 ( -2.077 -5.678 -7.180) 9.386 5.091 ( -1.635 -0.587 -1.241) 2.135 5.527 ( 3.496 -1.832 3.633) 5.364 5.843 ( -10.814 -5.801 20.436) 23.838 5.923 ( -0.305 0.416 6.537) 6.557 6.125 ( -5.116 -15.517 23.931) 28.976 7.258 ( -4.504 0.600 4.550) 6.430 7.948 ( -9.854 13.750 -10.855) 20.100 9.096 ( 7.579 -4.123 -6.655) 10.896 9.466 ( 1.502 -19.287 0.435) 19.350 9.765 ( -7.860 16.975 6.068) 19.666 10.025 ( 3.925 -8.327 -1.349) 9.304 10.600 ( 8.351 9.881 -2.240) 13.129 11.743 ( 9.466 19.932 -0.952) 22.086 12.250 ( -5.890 1.872 9.284) 11.153 12.420 ( 1.416 1.518 -4.306) 4.780 13.299 ( 3.777 23.427 -19.806) 30.909 13.534 ( -0.385 2.013 7.233) 7.517 14.299 ( -4.279 -1.621 -2.933) 5.435 15.851 ( -5.871 -8.009 -14.725) 17.760 18.246 ( 1.390 -43.201 33.170) 54.483 19.378 ( -15.546 -0.381 -11.584) 19.391 19.755 ( -2.990 3.542 -4.078) 6.174 19.915 ( -14.061 1.914 2.313) 14.378 21.074 ( 13.078 -2.967 -0.347) 13.415 21.704 ( 9.431 1.672 -0.058) 9.579 24.041 ( -8.702 17.047 -8.674) 21.014 24.309 ( 1.563 0.863 0.327) 1.815 ======================= Grid point 161 (67/432) ======================= q-point: ( 0.27 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 1.679 -0.000 3.590) 3.963 2.597 ( -1.912 0.000 -1.053) 2.182 3.029 ( -5.796 0.000 2.315) 6.241 3.081 ( -2.053 0.000 4.971) 5.378 3.403 ( -11.019 0.000 -10.445) 15.183 3.686 ( -5.187 0.000 -10.003) 11.268 4.088 ( 9.695 -0.000 0.360) 9.702 4.309 ( 7.980 -0.000 2.762) 8.444 4.641 ( -8.564 0.000 -3.039) 9.087 4.979 ( -10.454 0.000 -8.156) 13.259 5.018 ( 2.973 -0.000 -4.757) 5.610 5.979 ( 1.333 -0.000 7.422) 7.541 6.219 ( -11.034 0.000 -10.230) 15.047 6.676 ( -26.906 0.000 21.198) 34.253 7.146 ( -3.480 0.000 19.873) 20.175 7.924 ( 0.407 -0.000 14.245) 14.251 8.692 ( -14.648 0.000 -7.379) 16.402 9.122 ( -3.995 0.000 1.939) 4.441 9.773 ( -12.830 0.000 -9.696) 16.081 10.658 ( 0.825 -0.000 -5.579) 5.640 11.139 ( 23.330 -0.000 10.370) 25.531 12.324 ( 11.784 -0.000 -8.927) 14.783 12.633 ( 0.067 -0.000 4.516) 4.517 12.812 ( 7.421 -0.000 7.684) 10.683 12.970 ( -2.852 0.000 12.035) 12.369 13.829 ( 1.472 -0.000 1.958) 2.449 13.994 ( -1.108 0.000 -12.434) 12.483 14.800 ( 6.073 -0.000 5.087) 7.922 17.641 ( -10.891 0.000 -27.382) 29.468 18.924 ( -0.680 0.000 4.521) 4.572 19.429 ( 14.518 -0.000 -6.432) 15.879 19.510 ( 2.163 -0.000 12.775) 12.956 21.648 ( 8.232 -0.000 -21.031) 22.585 22.050 ( -10.563 0.000 12.658) 16.486 24.099 ( 7.625 -0.000 2.034) 7.891 24.405 ( -2.415 0.000 4.331) 4.959 ======================= Grid point 162 (68/432) ======================= q-point: (-0.64 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -5.317 7.213 -8.886) 12.620 2.498 ( -10.032 1.132 -4.592) 11.091 3.047 ( -2.193 1.221 3.835) 4.584 3.079 ( -10.200 1.416 3.107) 10.756 3.171 ( -6.434 -6.338 -4.381) 10.038 3.607 ( -0.023 -2.425 0.166) 2.431 4.178 ( 0.005 4.710 0.953) 4.805 4.346 ( 0.847 8.437 0.648) 8.504 4.590 ( 0.134 -13.754 -2.219) 13.933 4.680 ( -7.560 -2.874 -16.519) 18.393 5.039 ( -0.334 0.269 -0.984) 1.074 5.964 ( -9.237 1.138 -7.659) 12.054 6.061 ( 0.907 3.694 4.945) 6.239 6.528 ( -32.460 -4.620 18.357) 37.577 7.320 ( -5.347 -0.548 20.427) 21.122 8.109 ( 2.389 -5.223 10.981) 12.392 8.428 ( -10.773 0.486 -8.522) 13.744 9.108 ( -4.066 -1.605 3.015) 5.310 9.516 ( -11.575 -3.729 -8.857) 15.044 10.539 ( -1.565 6.501 -7.705) 10.202 11.533 ( 18.531 -2.323 7.237) 20.029 12.304 ( 10.166 20.149 -4.076) 22.934 12.645 ( -3.146 5.965 6.083) 9.082 12.996 ( -0.133 -0.441 4.571) 4.594 13.044 ( -4.477 -14.120 7.918) 16.796 13.802 ( -2.665 0.732 -13.290) 13.574 13.986 ( 11.875 -0.876 7.952) 14.318 15.000 ( 11.807 -4.391 4.463) 13.364 17.183 ( -11.050 -1.015 -28.392) 30.483 19.039 ( 5.904 -0.756 8.860) 10.674 19.533 ( 12.905 2.408 -4.809) 13.981 19.733 ( 9.281 -0.892 11.798) 15.037 21.476 ( 4.149 4.240 -19.744) 20.616 22.031 ( -16.554 -6.267 10.039) 20.349 24.215 ( 6.390 -0.055 1.767) 6.630 24.423 ( -1.586 1.545 4.723) 5.216 ======================= Grid point 163 (69/432) ======================= q-point: (-0.55 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -8.069 12.189 -9.661) 17.522 2.244 ( -13.265 8.884 -5.126) 16.768 2.924 ( -8.391 -3.782 1.103) 9.270 3.053 ( -9.476 -2.444 4.772) 10.887 3.145 ( -4.149 -9.837 -4.869) 11.734 3.653 ( 1.982 8.937 2.792) 9.571 4.004 ( -7.452 9.796 2.608) 12.581 4.340 ( -0.855 -0.978 -4.693) 4.870 4.508 ( -0.461 -4.629 -6.549) 8.033 4.730 ( 1.712 -16.238 -1.151) 16.368 4.997 ( -1.523 -1.389 -3.777) 4.303 5.777 ( -7.351 1.808 -3.036) 8.156 6.074 ( -1.208 4.628 2.733) 5.509 6.320 ( -33.798 -6.737 15.093) 37.623 7.458 ( -7.124 -0.036 17.283) 18.694 8.231 ( -5.532 -1.443 -7.060) 9.085 8.312 ( 2.856 -9.368 7.438) 12.298 9.093 ( -4.527 -1.350 1.760) 5.041 9.354 ( -9.195 -9.917 -5.431) 14.574 10.375 ( -0.725 8.212 -6.183) 10.304 11.805 ( 12.535 1.298 3.283) 13.023 12.189 ( 8.026 29.209 -0.195) 30.292 12.591 ( -6.687 4.213 3.739) 8.743 12.911 ( -9.760 5.958 3.522) 11.965 13.264 ( 4.459 -14.578 2.074) 15.385 13.639 ( -3.069 -3.628 -8.853) 10.048 14.295 ( 15.353 0.802 12.259) 19.664 15.258 ( 13.261 -9.682 0.826) 16.440 16.743 ( -10.037 -0.841 -25.733) 27.634 19.270 ( 12.630 0.194 8.582) 15.271 19.629 ( 10.643 2.384 -1.687) 11.037 20.011 ( 12.549 1.327 11.210) 16.879 21.257 ( 1.126 4.072 -18.573) 19.048 21.935 ( -23.219 -9.725 7.342) 26.222 24.301 ( 4.435 0.555 0.912) 4.562 24.451 ( -0.070 1.982 5.222) 5.586 ======================= Grid point 164 (70/432) ======================= q-point: (-0.45 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -10.831 16.648 -5.711) 20.666 1.912 ( -11.683 16.689 -3.341) 20.643 2.932 ( -7.281 -5.996 6.497) 11.453 2.969 ( -10.612 0.880 1.170) 10.712 3.110 ( -4.594 -13.072 -3.658) 14.331 3.512 ( 2.417 22.911 -0.677) 23.048 4.018 ( -1.171 -2.773 6.933) 7.558 4.223 ( -5.153 -4.162 -7.597) 10.079 4.550 ( 1.721 -5.404 1.041) 5.766 4.854 ( 0.776 -13.902 -2.488) 14.144 4.969 ( -0.161 -4.214 -2.525) 4.915 5.678 ( -4.634 0.965 1.459) 4.953 5.963 ( -25.567 -2.020 10.589) 27.747 6.172 ( -9.366 -1.025 4.860) 10.601 7.501 ( -10.037 2.711 11.934) 15.827 8.155 ( 1.171 -4.718 -6.191) 7.872 8.506 ( 0.910 -12.300 6.488) 13.936 9.064 ( -3.097 -2.865 -0.006) 4.219 9.299 ( -8.624 -13.805 -2.791) 16.515 10.269 ( 1.945 6.795 -2.430) 7.474 11.911 ( 6.195 7.982 1.325) 10.190 12.017 ( 5.768 34.490 -0.151) 34.969 12.510 ( -6.475 -0.475 1.471) 6.657 12.764 ( -8.841 8.320 3.697) 12.690 13.379 ( 4.990 -1.237 -4.476) 6.817 13.645 ( -0.870 -15.972 -0.292) 15.999 14.607 ( 12.786 1.635 9.921) 16.266 15.511 ( 12.032 -13.974 -3.892) 18.846 16.383 ( -7.280 1.188 -15.101) 16.806 19.513 ( 17.844 2.559 -1.264) 18.071 19.750 ( 7.221 1.179 5.408) 9.098 20.254 ( 10.341 7.035 8.920) 15.362 21.044 ( 1.354 1.022 -16.197) 16.286 21.756 ( -28.995 -12.168 6.283) 32.067 24.337 ( 2.533 2.012 -0.452) 3.266 24.510 ( 0.897 0.011 5.155) 5.233 ======================= Grid point 165 (71/432) ======================= q-point: (-0.36 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -7.810 21.294 3.722) 22.984 1.633 ( -5.025 21.262 2.589) 22.001 2.724 ( -9.707 20.601 1.230) 22.806 2.967 ( -6.240 -10.419 1.702) 12.263 3.228 ( -1.100 -15.732 6.474) 17.047 3.406 ( 3.678 14.016 1.456) 14.564 3.992 ( -2.295 -0.496 -8.319) 8.644 4.223 ( -1.781 -8.542 4.450) 9.795 4.635 ( 0.627 -6.990 0.879) 7.073 4.956 ( 1.887 -11.620 -0.520) 11.783 5.004 ( 1.342 -4.680 1.693) 5.155 5.653 ( -8.650 -1.048 7.566) 11.540 5.773 ( -24.554 -4.876 13.421) 28.404 6.140 ( -0.627 2.493 0.453) 2.611 7.436 ( -10.698 4.891 7.806) 14.118 8.175 ( 3.785 -6.158 -5.953) 9.364 8.693 ( -0.705 -15.070 6.439) 16.403 9.066 ( 0.415 -4.407 -3.111) 5.410 9.288 ( -7.335 -15.614 -0.675) 17.265 10.245 ( 2.446 4.403 -0.190) 5.040 11.740 ( 1.531 37.233 -3.691) 37.447 11.907 ( 3.147 11.807 4.010) 12.860 12.470 ( -3.878 -2.014 0.750) 4.434 12.634 ( -5.631 10.153 4.124) 12.321 13.399 ( 4.148 1.406 -0.344) 4.393 13.775 ( 0.508 -16.910 -4.291) 17.454 14.744 ( 4.536 3.055 -6.653) 8.611 15.692 ( 8.258 -14.741 -10.240) 19.757 16.313 ( 1.692 -1.754 15.389) 15.581 19.650 ( 15.540 1.716 -9.684) 18.390 19.880 ( 4.354 2.373 2.949) 5.769 20.306 ( 0.094 12.171 2.590) 12.444 20.961 ( 7.024 -1.575 -8.961) 11.494 21.561 ( -26.845 -12.412 9.157) 30.961 24.336 ( 1.744 2.484 -0.971) 3.187 24.560 ( -1.354 -1.448 1.416) 2.436 ======================= Grid point 166 (72/432) ======================= q-point: (-0.27 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 6.426 19.813 13.652) 24.904 1.496 ( 2.449 23.270 9.645) 25.308 2.474 ( -3.600 27.201 9.081) 28.902 3.006 ( -1.582 -8.632 0.338) 8.783 3.367 ( -0.110 5.774 3.085) 6.548 3.435 ( -1.793 -12.257 9.593) 15.667 3.885 ( 0.290 -4.673 -10.651) 11.635 4.331 ( 1.995 -5.670 2.789) 6.626 4.683 ( -1.652 -7.882 -2.423) 8.409 5.030 ( 3.445 -1.948 -0.015) 3.958 5.196 ( 3.865 -12.825 9.540) 16.445 5.612 ( -20.466 -5.088 18.693) 28.181 5.757 ( -3.578 -1.178 9.473) 10.195 6.107 ( -1.182 3.442 -0.220) 3.646 7.344 ( -8.359 4.479 6.000) 11.222 8.182 ( 0.390 -4.348 -7.091) 8.327 8.886 ( -0.429 -16.659 5.329) 17.496 9.046 ( 0.184 -6.198 -8.180) 10.264 9.414 ( 2.770 -17.753 4.015) 18.411 10.211 ( -1.063 7.293 -0.071) 7.371 11.375 ( -0.736 37.290 -5.346) 37.678 11.916 ( 2.606 10.246 7.563) 12.999 12.435 ( -3.229 0.961 -0.274) 3.380 12.540 ( -1.884 10.395 3.204) 11.040 13.465 ( 4.047 2.014 4.583) 6.437 13.790 ( -0.601 -9.620 -14.801) 17.663 14.538 ( -4.087 8.177 -15.387) 17.898 15.750 ( 2.326 -13.083 -12.354) 18.144 16.815 ( 10.437 -18.106 39.289) 44.502 19.640 ( 1.013 -0.914 -15.344) 15.404 19.861 ( 0.285 3.899 -2.199) 4.485 20.178 ( -5.077 8.054 -3.555) 10.163 20.989 ( 4.845 1.292 -0.873) 5.090 21.535 ( -6.116 -7.320 10.350) 14.075 24.326 ( 1.336 2.013 -0.826) 2.553 24.491 ( -6.368 1.527 -5.515) 8.561 ======================= Grid point 167 (73/432) ======================= q-point: (-0.18 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 9.719 22.511 10.283) 26.588 1.602 ( 13.129 15.170 16.011) 25.668 2.464 ( 8.170 22.528 23.483) 33.551 3.072 ( 2.455 -7.022 -1.797) 7.653 3.342 ( -5.188 3.389 6.206) 8.770 3.613 ( -2.180 -11.333 8.013) 14.050 3.843 ( 2.986 -7.549 -10.079) 12.942 4.420 ( 4.729 -1.582 -0.881) 5.064 4.673 ( -2.904 -6.721 -4.231) 8.456 5.087 ( 1.425 -0.208 1.015) 1.762 5.444 ( 3.630 -9.674 5.100) 11.523 5.695 ( -10.657 -8.050 23.142) 26.720 5.897 ( 3.070 -2.507 13.179) 13.762 6.054 ( -3.798 2.064 3.301) 5.439 7.280 ( -6.081 2.047 3.771) 7.443 8.073 ( -4.208 2.586 -9.123) 10.374 9.018 ( 6.593 -4.400 -7.806) 11.125 9.102 ( -1.805 -22.329 3.251) 22.636 9.702 ( 7.509 -18.018 5.081) 20.170 10.100 ( -3.764 14.379 3.697) 15.317 11.008 ( -0.292 32.996 -4.477) 33.300 11.956 ( 1.469 7.064 6.171) 9.495 12.348 ( -3.154 5.046 -3.220) 6.766 12.484 ( 1.424 8.475 1.550) 8.732 13.566 ( 5.166 4.364 6.728) 9.539 13.580 ( -1.426 5.782 -18.673) 19.600 14.298 ( -6.174 2.296 -5.805) 8.780 15.687 ( -3.753 -11.265 -15.398) 19.444 17.615 ( 6.726 -30.960 39.122) 50.342 19.367 ( -12.272 -0.908 -15.679) 19.931 19.817 ( -2.328 3.510 -0.964) 4.320 19.955 ( -11.870 2.753 -6.675) 13.893 21.076 ( 11.104 2.751 1.147) 11.497 21.701 ( 10.389 -1.734 4.629) 11.504 24.254 ( -8.010 8.691 -8.453) 14.531 24.325 ( 0.546 1.026 -0.493) 1.263 ======================= Grid point 168 (74/432) ======================= q-point: (-0.09 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 12.734 18.719 10.466) 24.942 1.835 ( 11.090 14.759 19.349) 26.743 2.804 ( 18.086 8.514 23.531) 30.875 3.141 ( 3.467 -6.417 -3.088) 7.921 3.337 ( -4.627 2.071 10.350) 11.525 3.727 ( -2.110 -11.871 -1.264) 12.123 3.857 ( 4.071 -4.908 -5.012) 8.111 4.445 ( 4.518 1.960 -5.350) 7.272 4.650 ( -1.913 -4.100 -1.258) 4.696 5.068 ( -2.359 4.028 -0.222) 4.673 5.550 ( -0.251 -4.920 0.456) 4.947 5.867 ( -7.489 -0.590 7.938) 10.929 6.015 ( -3.164 -5.150 19.358) 20.280 6.286 ( 7.449 -10.715 18.171) 22.371 7.205 ( -6.875 0.197 -1.981) 7.158 7.865 ( -3.527 10.525 -5.927) 12.584 9.077 ( 3.343 -8.376 -3.563) 9.697 9.323 ( 4.587 -20.206 0.558) 20.728 9.900 ( -3.460 5.680 6.744) 9.472 10.036 ( 2.372 1.982 5.784) 6.558 10.764 ( 3.708 18.476 -2.315) 18.986 11.950 ( 2.021 7.591 -0.075) 7.856 12.223 ( -0.576 3.675 -5.750) 6.849 12.475 ( 3.392 5.250 1.323) 6.389 13.330 ( 1.894 13.632 -9.489) 16.717 13.686 ( 4.492 4.744 9.644) 11.648 14.169 ( -7.215 -2.647 -3.365) 8.390 15.502 ( -8.409 -8.502 -17.255) 20.994 18.273 ( -2.991 -27.246 26.646) 38.227 19.073 ( -6.859 -1.698 -12.985) 14.783 19.648 ( -6.965 4.390 -11.465) 14.115 19.738 ( -18.089 1.740 6.488) 19.296 21.245 ( 15.474 -1.563 -2.259) 15.716 21.896 ( 15.718 2.687 -1.135) 15.986 24.001 ( -3.803 10.965 -5.050) 12.656 24.329 ( 0.173 -0.238 0.566) 0.638 ======================= Grid point 173 (75/432) ======================= q-point: ( 0.36 -0.64 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -7.676 0.000 -9.641) 12.323 2.330 ( -10.568 0.000 -3.243) 11.054 2.934 ( -10.038 0.000 -2.498) 10.345 2.952 ( -11.217 0.000 -1.450) 11.310 3.088 ( -3.728 0.000 2.905) 4.726 3.696 ( 5.001 -0.000 7.484) 9.001 4.184 ( -6.133 0.000 0.798) 6.185 4.333 ( -5.991 0.000 -13.157) 14.457 4.448 ( 2.884 -0.000 -2.591) 3.877 4.545 ( 1.702 -0.000 1.310) 2.147 4.985 ( -2.285 0.000 -4.583) 5.121 5.793 ( -7.651 0.000 -3.483) 8.406 6.132 ( 1.610 -0.000 1.858) 2.458 6.243 ( -36.935 0.000 16.290) 40.367 7.460 ( -5.406 0.000 17.009) 17.847 8.215 ( -6.728 0.000 -8.224) 10.626 8.233 ( 2.519 -0.000 8.746) 9.102 9.090 ( -3.480 0.000 2.953) 4.564 9.265 ( -10.004 0.000 -6.913) 12.161 10.445 ( -2.337 0.000 -7.200) 7.570 11.815 ( 14.115 -0.000 5.047) 14.990 12.420 ( 2.559 -0.000 -3.836) 4.612 12.778 ( 3.869 -0.000 4.735) 6.114 12.959 ( -10.732 0.000 5.204) 11.927 13.002 ( -1.161 0.000 5.126) 5.256 13.617 ( -2.482 0.000 -11.914) 12.170 14.301 ( 16.063 -0.000 12.236) 20.193 15.171 ( 13.093 -0.000 -0.126) 13.094 16.737 ( -10.449 0.000 -23.926) 26.108 19.272 ( 13.497 -0.000 9.024) 16.236 19.650 ( 10.448 -0.000 -2.955) 10.858 20.021 ( 13.646 -0.000 12.248) 18.336 21.298 ( 1.246 -0.000 -20.632) 20.669 21.847 ( -23.181 0.000 8.049) 24.538 24.306 ( 4.449 -0.000 1.535) 4.706 24.467 ( -0.513 0.000 4.358) 4.388 ======================= Grid point 175 (76/432) ======================= q-point: (-0.55 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( -7.621 8.633 -4.389) 12.324 2.133 ( -9.449 7.608 -2.231) 12.335 2.804 ( -8.477 -3.396 1.478) 9.251 2.882 ( -6.669 -9.608 1.375) 11.777 3.027 ( -6.554 0.553 -0.552) 6.600 3.830 ( 5.608 8.756 4.398) 11.290 4.031 ( -3.694 7.917 0.488) 8.750 4.165 ( -4.895 -4.346 -9.712) 11.712 4.483 ( 1.678 -2.152 1.142) 2.958 4.630 ( -0.735 -10.358 1.455) 10.486 4.915 ( -0.658 -1.818 -3.514) 4.010 5.690 ( -5.498 0.365 0.811) 5.569 5.933 ( -34.856 -1.070 14.069) 37.603 6.164 ( 0.771 -0.160 0.291) 0.840 7.544 ( -6.372 1.777 12.000) 13.703 8.085 ( -1.550 -2.648 -6.563) 7.244 8.363 ( 0.404 -4.548 7.135) 8.471 9.056 ( -3.630 1.663 0.100) 3.994 9.128 ( -6.556 -6.771 -2.562) 9.767 10.347 ( -0.346 2.398 -4.397) 5.020 11.999 ( 8.366 2.937 3.085) 9.388 12.375 ( 0.230 3.245 -2.436) 4.064 12.704 ( -0.111 27.006 3.024) 27.175 12.860 ( -9.388 2.954 4.006) 10.626 13.187 ( 2.716 -22.070 1.983) 22.325 13.490 ( -1.128 -1.780 -7.150) 7.454 14.625 ( 12.310 0.577 10.121) 15.947 15.336 ( 12.070 -5.901 -4.765) 14.256 16.398 ( -7.295 0.476 -13.409) 15.272 19.542 ( 18.837 0.891 -1.686) 18.933 19.764 ( 6.926 0.472 4.781) 8.429 20.337 ( 13.648 2.543 11.633) 18.113 21.067 ( -0.094 1.139 -19.236) 19.270 21.607 ( -27.789 -4.957 6.093) 28.878 24.361 ( 2.343 0.773 0.801) 2.594 24.508 ( 0.060 -0.128 3.234) 3.237 ======================= Grid point 176 (77/432) ======================= q-point: (-0.45 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -5.493 17.473 4.098) 18.769 1.942 ( -3.713 14.366 2.017) 14.974 2.782 ( -6.247 -9.053 1.120) 11.056 2.886 ( -5.587 -4.037 -4.677) 8.329 3.005 ( -1.840 -6.014 11.050) 12.714 3.731 ( 3.956 20.391 -2.556) 20.927 3.987 ( -5.073 0.545 -8.650) 10.042 4.112 ( 0.728 -4.468 7.048) 8.377 4.540 ( -0.322 -4.057 1.612) 4.378 4.720 ( -0.064 -14.988 -1.101) 15.029 4.946 ( 2.026 -2.673 2.988) 4.492 5.643 ( -12.183 0.017 7.564) 14.340 5.705 ( -19.631 -3.469 11.017) 22.777 6.170 ( 1.154 1.081 -0.834) 1.788 7.524 ( -8.167 5.067 7.112) 11.957 8.067 ( 2.850 -5.689 -5.425) 8.362 8.482 ( -2.658 -9.570 6.398) 11.814 9.027 ( 0.064 -1.452 -0.088) 1.456 9.091 ( -5.093 -7.162 -1.363) 8.893 10.305 ( 1.761 2.527 -1.277) 3.334 12.052 ( 2.833 7.899 2.074) 8.645 12.321 ( 4.041 15.745 -2.612) 16.464 12.476 ( -5.234 16.195 0.586) 17.030 12.771 ( -6.492 5.846 5.545) 10.347 13.398 ( 5.986 -9.508 -0.542) 11.248 13.468 ( -2.018 -12.221 -2.533) 12.643 14.781 ( 3.333 1.539 -1.624) 4.014 15.468 ( 8.943 -10.651 -9.176) 16.661 16.301 ( 0.501 -0.124 7.668) 7.685 19.670 ( 14.482 0.723 -12.199) 18.949 19.912 ( 4.693 1.338 4.458) 6.610 20.487 ( 0.835 8.629 0.347) 8.676 20.941 ( 8.349 -0.748 -7.123) 11.000 21.386 ( -23.709 -8.139 8.909) 26.603 24.373 ( 0.926 1.816 -0.247) 2.053 24.535 ( -1.097 -1.334 0.875) 1.935 ======================= Grid point 177 (78/432) ======================= q-point: (-0.36 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 3.170 17.787 8.681) 20.045 1.863 ( 2.953 19.933 10.356) 22.656 2.742 ( -2.666 2.686 -1.428) 4.045 2.868 ( -1.136 -6.257 2.846) 6.967 3.203 ( -0.303 -11.296 10.729) 15.582 3.606 ( 1.764 18.885 2.766) 19.168 3.811 ( -4.188 -3.169 -11.181) 12.353 4.256 ( 4.702 -3.211 5.433) 7.870 4.564 ( -2.137 -5.921 -1.390) 6.447 4.885 ( 2.034 -16.649 2.861) 17.015 5.053 ( 2.629 -2.164 7.096) 7.870 5.559 ( -15.622 -1.798 14.810) 21.602 5.723 ( -2.655 -2.722 8.031) 8.886 6.153 ( -0.106 2.064 -1.277) 2.429 7.430 ( -8.368 5.508 4.486) 10.976 8.095 ( 3.154 -5.104 -6.235) 8.653 8.604 ( -4.703 -15.309 5.674) 16.990 9.006 ( -0.191 -0.143 -4.684) 4.690 9.170 ( 3.387 -11.164 4.364) 12.456 10.307 ( 1.948 4.179 1.320) 4.796 11.968 ( 0.186 25.561 -2.907) 25.726 12.110 ( -0.391 19.757 1.744) 19.838 12.403 ( -2.220 -3.097 -1.587) 4.128 12.715 ( -3.143 8.756 6.317) 11.245 13.495 ( 2.207 -0.049 4.647) 5.145 13.557 ( 1.998 -16.114 -7.222) 17.771 14.647 ( -5.420 4.875 -12.048) 14.082 15.529 ( 3.930 -12.506 -12.867) 18.369 16.607 ( 8.426 -7.760 28.246) 30.480 19.627 ( 2.593 -0.627 -18.106) 18.302 19.913 ( -2.369 2.354 -0.740) 3.421 20.296 ( -7.078 5.541 -11.115) 14.295 21.038 ( 6.384 4.620 5.376) 9.540 21.409 ( -0.974 -7.698 11.592) 13.950 24.359 ( 0.351 1.765 -0.831) 1.982 24.498 ( -4.104 -0.312 -3.290) 5.270 ======================= Grid point 178 (79/432) ======================= q-point: (-0.27 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 12.666 14.362 9.973) 21.590 1.893 ( 7.517 21.065 11.894) 25.332 2.734 ( 3.565 6.966 8.245) 11.368 2.957 ( 2.060 -5.899 1.468) 6.419 3.383 ( -0.659 -8.099 5.109) 9.598 3.524 ( -4.838 11.852 10.868) 16.793 3.717 ( 3.345 -6.880 -10.916) 13.330 4.397 ( 5.794 -1.299 2.711) 6.527 4.566 ( -1.348 -5.693 -1.936) 6.162 5.048 ( 2.037 -7.706 1.366) 8.087 5.231 ( 0.060 -10.842 10.844) 15.335 5.620 ( -4.006 -2.058 15.606) 16.243 5.849 ( 1.558 -3.403 11.839) 12.416 6.101 ( -2.743 2.849 -0.803) 4.035 7.326 ( -7.858 3.286 2.532) 8.886 8.073 ( 0.959 -1.325 -7.533) 7.709 8.741 ( -4.962 -20.045 3.105) 20.883 8.973 ( 3.714 -0.993 -4.236) 5.721 9.423 ( 8.290 -14.264 6.317) 17.665 10.303 ( 0.540 9.578 5.080) 10.855 11.612 ( -1.324 37.458 -5.599) 37.898 12.042 ( -4.532 4.261 4.079) 7.438 12.368 ( 0.355 -0.965 -5.752) 5.843 12.676 ( -0.409 11.648 5.728) 12.987 13.519 ( -3.345 -9.509 -8.087) 12.923 13.652 ( 7.692 3.305 4.870) 9.685 14.370 ( -8.805 5.249 -9.836) 14.207 15.485 ( -1.692 -12.332 -16.024) 20.291 17.210 ( 9.280 -17.845 35.159) 40.505 19.350 ( -10.056 -0.974 -18.831) 21.370 19.866 ( -3.035 2.343 1.363) 4.069 20.000 ( -10.082 2.393 -14.381) 17.725 21.154 ( 8.879 6.174 5.146) 11.976 21.653 ( 10.628 -3.873 8.615) 14.219 24.339 ( -0.013 1.005 -0.964) 1.392 24.356 ( -6.179 3.625 -6.724) 9.825 ======================= Grid point 179 (80/432) ======================= q-point: (-0.18 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 11.186 21.443 7.128) 25.214 2.054 ( 14.066 11.104 14.411) 22.996 2.895 ( 6.475 0.740 10.773) 12.591 3.035 ( 1.912 -5.690 -1.093) 6.102 3.435 ( -0.034 7.894 11.983) 14.350 3.527 ( -3.630 -9.637 -3.314) 10.818 3.781 ( 8.573 -3.229 -0.523) 9.176 4.455 ( -0.047 -1.298 -0.506) 1.394 4.606 ( 4.450 -0.822 -0.061) 4.526 5.104 ( -0.601 -0.764 0.994) 1.390 5.408 ( -3.208 -11.248 5.337) 12.856 5.813 ( -1.751 -3.880 17.225) 17.743 5.988 ( -1.998 1.048 2.330) 3.243 6.153 ( 6.015 -6.014 16.100) 18.209 7.215 ( -8.252 1.048 -0.981) 8.376 7.982 ( 0.353 4.024 -7.021) 8.101 8.857 ( -3.851 -18.722 -1.626) 19.183 9.064 ( 7.973 -8.215 0.438) 11.456 9.724 ( 7.192 -14.221 5.612) 16.895 10.273 ( -1.821 15.610 9.749) 18.495 11.234 ( -0.475 34.146 -4.492) 34.443 11.968 ( -9.639 -1.981 0.508) 9.854 12.307 ( 4.846 3.381 -8.667) 10.490 12.633 ( 1.891 12.583 3.169) 13.113 13.430 ( -0.928 -2.005 -8.804) 9.077 13.791 ( 6.993 7.021 9.556) 13.766 14.144 ( -9.661 0.051 -4.594) 10.698 15.337 ( -6.219 -10.865 -17.678) 21.662 17.857 ( 4.442 -21.488 30.957) 37.945 19.044 ( -7.499 -1.645 -14.512) 16.418 19.685 ( -9.912 0.605 -15.284) 18.227 19.794 ( -9.540 4.138 4.411) 11.296 21.271 ( 11.848 4.204 -1.075) 12.618 21.913 ( 13.080 -0.489 5.766) 14.304 24.156 ( -4.199 7.356 -6.585) 10.728 24.324 ( -0.696 -0.427 -0.538) 0.978 ======================= Grid point 180 (81/432) ======================= q-point: (-0.09 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 11.488 15.937 6.785) 20.784 2.314 ( 11.511 12.594 18.198) 24.946 3.025 ( -3.147 -6.515 2.744) 7.738 3.095 ( 3.470 -6.318 -3.303) 7.929 3.495 ( -3.775 -12.032 -8.222) 15.054 3.610 ( 9.864 4.896 13.900) 17.734 3.931 ( 13.357 2.530 0.452) 13.602 4.438 ( -2.362 0.433 -0.339) 2.425 4.667 ( 3.181 1.985 2.902) 4.741 5.073 ( -1.160 3.958 -1.625) 4.433 5.450 ( -6.112 -8.140 -0.684) 10.203 5.820 ( -7.975 1.682 2.294) 8.467 6.186 ( -1.607 -7.460 24.822) 25.969 6.506 ( 7.821 -7.458 15.395) 18.809 7.055 ( -9.121 1.368 -5.398) 10.687 7.892 ( 1.587 7.486 -1.254) 7.755 8.918 ( -4.800 -14.778 -2.712) 15.773 9.313 ( 11.643 -15.467 2.470) 19.517 9.904 ( -1.951 -2.099 2.324) 3.690 10.221 ( -2.260 12.345 9.952) 16.017 10.976 ( 4.407 24.038 -0.737) 24.450 11.843 ( -11.002 -7.635 -4.755) 14.211 12.273 ( 10.323 5.847 -6.597) 13.575 12.600 ( 3.796 9.372 1.155) 10.178 13.354 ( 0.484 4.310 -2.783) 5.154 13.898 ( 1.115 3.975 3.616) 5.488 14.025 ( -4.013 0.043 3.223) 5.148 15.124 ( -8.384 -8.345 -16.333) 20.167 18.303 ( -4.019 -14.363 16.880) 22.525 18.906 ( 4.595 -4.695 -8.496) 10.740 19.394 ( -9.325 -0.892 -13.624) 16.534 19.643 ( -15.095 7.081 6.456) 17.879 21.372 ( 12.349 -0.602 -6.459) 13.949 22.119 ( 11.101 3.632 4.368) 12.470 24.007 ( 0.398 7.276 -3.733) 8.188 24.317 ( -1.497 -1.903 0.264) 2.436 ======================= Grid point 186 (82/432) ======================= q-point: ( 0.45 -0.55 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( -2.037 0.000 6.440) 6.755 2.049 ( -5.745 0.000 0.062) 5.745 2.702 ( -5.800 0.000 2.158) 6.188 2.775 ( -4.609 0.000 -1.903) 4.986 2.993 ( -2.850 0.000 6.806) 7.379 3.903 ( 0.450 -0.000 -14.229) 14.236 4.056 ( -2.323 0.000 0.097) 2.325 4.061 ( 4.075 -0.000 8.363) 9.303 4.509 ( -0.264 0.000 3.322) 3.333 4.545 ( -3.246 0.000 -3.145) 4.520 4.922 ( 2.283 -0.000 4.368) 4.929 5.655 ( -3.748 0.000 3.607) 5.202 5.662 ( -27.755 0.000 14.002) 31.087 6.179 ( 1.625 -0.000 -1.146) 1.989 7.574 ( -6.896 0.000 6.657) 9.585 8.014 ( 1.728 -0.000 -3.786) 4.162 8.397 ( -2.755 0.000 4.965) 5.678 9.000 ( -2.834 0.000 0.188) 2.840 9.048 ( -1.667 0.000 -0.632) 1.783 10.327 ( 1.436 -0.000 -1.679) 2.210 12.129 ( 3.311 -0.000 3.331) 4.697 12.336 ( -1.067 0.000 -2.006) 2.272 12.804 ( -6.416 0.000 2.607) 6.926 12.965 ( 2.329 -0.000 1.203) 2.621 13.013 ( -1.990 0.000 -0.976) 2.216 13.445 ( 2.597 -0.000 -1.053) 2.802 14.795 ( 2.780 -0.000 0.200) 2.787 15.373 ( 9.341 -0.000 -9.264) 13.156 16.301 ( 0.271 -0.000 5.568) 5.575 19.676 ( 14.230 -0.000 -13.132) 19.364 19.923 ( 4.775 -0.000 4.910) 6.849 20.566 ( 1.272 -0.000 -1.636) 2.072 20.936 ( 9.716 -0.000 -5.230) 11.034 21.311 ( -23.917 0.000 8.975) 25.546 24.390 ( 0.528 -0.000 0.216) 0.571 24.522 ( -0.893 0.000 0.439) 0.995 ======================= Grid point 188 (83/432) ======================= q-point: (-0.45 0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 1.018 9.623 3.291) 10.221 2.126 ( 2.552 9.461 14.329) 17.359 2.684 ( -1.681 -2.273 -0.215) 2.835 2.757 ( -0.801 -8.484 0.935) 8.573 3.092 ( 0.092 -2.344 10.417) 10.677 3.737 ( -0.157 -1.142 -14.213) 14.260 3.974 ( -1.668 16.495 2.938) 16.837 4.221 ( 5.739 -1.118 6.048) 8.412 4.491 ( -1.755 -2.983 -1.639) 3.829 4.599 ( -0.091 -13.862 2.593) 14.102 5.038 ( 2.511 -0.285 8.675) 9.036 5.542 ( -14.463 -0.422 14.120) 20.217 5.681 ( -1.640 -1.677 6.262) 6.687 6.176 ( 0.402 0.644 -1.496) 1.677 7.508 ( -8.566 2.966 2.617) 9.435 8.036 ( 4.616 -1.645 -2.316) 5.420 8.408 ( -5.844 -6.856 2.713) 9.408 9.014 ( -1.021 0.633 -1.771) 2.140 9.043 ( 3.195 -3.914 4.109) 6.513 10.353 ( 3.366 1.374 1.668) 4.001 12.149 ( -2.059 5.005 3.125) 6.250 12.331 ( 1.351 -2.914 -2.203) 3.895 12.630 ( -2.357 27.281 -6.097) 28.053 12.832 ( -3.277 7.608 6.780) 10.704 13.183 ( -1.761 -25.196 -4.659) 25.684 13.529 ( 5.904 0.818 6.047) 8.490 14.704 ( -6.655 1.815 -8.653) 11.066 15.367 ( 5.116 -5.565 -13.069) 15.098 16.529 ( 7.823 -2.037 22.454) 23.865 19.620 ( 3.421 -0.232 -19.776) 20.071 19.939 ( -3.284 0.797 -0.238) 3.387 20.358 ( -8.181 1.828 -16.167) 18.211 21.138 ( 8.433 6.863 10.361) 15.019 21.278 ( -0.320 -7.670 12.363) 14.552 24.381 ( -0.641 0.799 -0.742) 1.265 24.490 ( -2.605 -0.402 -2.614) 3.712 ======================= Grid point 189 (84/432) ======================= q-point: (-0.36 0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 9.642 9.607 6.219) 14.965 2.231 ( 5.596 17.709 13.625) 23.034 2.722 ( 2.385 -4.502 1.933) 5.449 2.868 ( 2.415 -6.305 3.156) 7.453 3.232 ( -0.532 -7.092 6.828) 9.859 3.607 ( -0.667 -4.251 -11.787) 12.547 3.856 ( 1.381 21.651 7.876) 23.080 4.367 ( 4.974 -2.802 2.526) 6.243 4.497 ( 1.223 -2.012 1.133) 2.613 4.786 ( 0.410 -19.102 3.777) 19.476 5.166 ( 0.430 -0.336 9.887) 9.902 5.601 ( -1.903 -0.525 13.721) 13.862 5.788 ( 1.553 -3.345 9.535) 10.224 6.139 ( -1.916 1.592 -1.763) 3.052 7.380 ( -9.382 2.782 0.643) 9.807 8.068 ( 4.201 1.600 -3.866) 5.929 8.442 ( -6.035 -15.210 1.555) 16.437 8.978 ( 0.909 1.207 -2.101) 2.589 9.235 ( 7.735 -7.977 7.268) 13.278 10.421 ( 4.150 4.667 5.627) 8.406 12.079 ( -7.152 5.042 2.536) 9.110 12.252 ( -2.895 32.540 -8.446) 33.743 12.343 ( 3.037 -1.633 -4.744) 5.865 12.833 ( -0.975 6.667 7.460) 10.052 13.267 ( -2.938 -19.672 -7.536) 21.270 13.699 ( 7.008 2.149 10.253) 12.604 14.447 ( -11.158 3.532 -10.011) 15.401 15.298 ( -0.002 -9.013 -16.319) 18.643 17.000 ( 10.445 -7.700 30.442) 33.093 19.336 ( -8.496 -0.646 -21.008) 22.670 19.896 ( -3.099 1.225 1.521) 3.663 20.030 ( -9.678 1.148 -18.019) 20.486 21.270 ( 6.975 7.054 7.829) 12.637 21.575 ( 10.985 -5.168 11.926) 17.017 24.350 ( -1.434 0.409 -1.417) 2.057 24.397 ( -3.761 1.430 -5.530) 6.839 ======================= Grid point 190 (85/432) ======================= q-point: (-0.27 0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 13.899 7.373 10.234) 18.769 2.277 ( 9.245 20.093 6.893) 23.167 2.850 ( 3.626 -4.498 4.743) 7.475 2.950 ( -0.067 -4.897 -0.327) 4.909 3.330 ( -1.290 -9.428 -1.189) 9.590 3.546 ( 1.772 -1.906 -2.100) 3.344 3.867 ( 7.872 15.468 10.977) 20.536 4.411 ( -3.123 -3.166 1.505) 4.695 4.609 ( 9.328 0.340 1.690) 9.486 4.972 ( -1.396 -15.416 3.001) 15.767 5.275 ( -2.563 -2.837 8.998) 9.777 5.776 ( 2.248 -0.605 14.580) 14.764 5.983 ( 4.162 -3.030 5.208) 7.323 6.088 ( -1.212 -0.961 6.609) 6.788 7.237 ( -9.418 1.440 -0.974) 9.577 8.027 ( 1.294 2.353 -5.871) 6.456 8.540 ( -2.929 -17.541 0.980) 17.811 8.992 ( 4.181 -1.681 -0.903) 4.596 9.515 ( 9.064 -10.049 8.067) 15.755 10.492 ( 2.144 10.179 9.447) 14.052 11.837 ( -1.591 35.626 -7.838) 36.513 11.932 ( -13.953 -1.140 -1.299) 14.060 12.336 ( 5.993 0.638 -7.356) 9.510 12.837 ( 0.285 10.511 5.789) 12.003 13.286 ( -2.178 -14.492 -7.491) 16.458 13.891 ( 6.916 4.561 11.900) 14.500 14.167 ( -12.244 2.084 -6.873) 14.195 15.153 ( -4.314 -10.294 -18.105) 21.269 17.569 ( 8.760 -12.652 30.756) 34.391 19.020 ( -7.259 -1.155 -15.722) 17.356 19.689 ( -10.300 0.088 -17.592) 20.386 19.853 ( -5.494 2.582 2.553) 6.585 21.368 ( 9.120 6.710 0.585) 11.338 21.884 ( 10.744 -2.692 11.389) 15.887 24.249 ( -3.470 3.943 -6.460) 8.326 24.316 ( -1.440 -0.433 -1.942) 2.457 ======================= Grid point 191 (86/432) ======================= q-point: (-0.18 0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 7.839 16.676 2.632) 18.613 2.488 ( 13.193 8.161 14.171) 21.011 2.914 ( -4.139 -6.328 -0.261) 7.566 3.000 ( 3.996 -4.993 -2.456) 6.851 3.318 ( -2.933 -8.138 -6.529) 10.838 3.663 ( 9.301 -0.397 4.981) 10.558 4.021 ( 12.868 9.269 8.930) 18.200 4.415 ( -5.689 -2.539 5.284) 8.169 4.719 ( 7.658 3.334 0.289) 8.357 5.061 ( -2.393 -7.317 0.719) 7.731 5.320 ( -6.214 -4.958 2.442) 8.316 5.854 ( -6.030 2.268 -0.165) 6.444 6.088 ( 1.447 -3.852 19.361) 19.794 6.380 ( 8.428 -7.704 15.911) 19.584 7.081 ( -9.132 1.666 -3.037) 9.767 7.964 ( 1.014 1.004 -4.050) 4.294 8.654 ( -1.726 -14.873 -0.407) 14.978 9.113 ( 8.063 -8.380 1.083) 11.679 9.789 ( 7.096 -8.032 6.393) 12.480 10.484 ( -4.467 15.671 9.650) 18.938 11.461 ( 0.631 30.712 -6.389) 31.375 11.728 ( -14.995 -4.342 -4.314) 16.196 12.335 ( 8.579 1.970 -7.072) 11.291 12.790 ( 0.655 11.998 2.362) 12.246 13.305 ( -0.454 -9.706 -3.812) 10.438 13.931 ( -9.257 0.939 -4.022) 10.137 14.081 ( 4.338 4.925 11.618) 13.344 14.968 ( -6.044 -9.780 -16.424) 20.049 18.075 ( 3.524 -12.050 22.893) 26.109 18.846 ( 1.056 -2.578 -9.259) 9.669 19.373 ( -8.685 -1.350 -16.629) 18.809 19.754 ( -10.674 5.611 4.629) 12.917 21.411 ( 9.805 4.719 -6.214) 12.531 22.150 ( 8.469 0.204 10.972) 13.862 24.113 ( -0.316 5.247 -5.514) 7.619 24.283 ( -2.137 -2.040 -1.469) 3.300 ======================= Grid point 192 (87/432) ======================= q-point: (-0.09 0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 6.019 9.323 0.030) 11.097 2.673 ( -3.054 2.139 11.679) 12.260 2.959 ( 6.041 -2.096 2.005) 6.702 3.023 ( 0.252 -4.689 -4.984) 6.847 3.283 ( -1.426 -5.224 -4.330) 6.934 3.839 ( 13.517 0.498 -2.044) 13.680 4.215 ( 11.090 4.924 4.780) 13.042 4.405 ( -6.691 1.455 6.407) 9.378 4.773 ( 1.714 3.180 3.975) 5.371 5.059 ( -0.009 0.191 -2.782) 2.788 5.251 ( -8.816 -6.170 -4.630) 11.715 5.751 ( -6.468 -0.155 1.269) 6.593 6.376 ( -3.005 -4.810 20.759) 21.520 6.690 ( 2.821 -5.750 13.551) 14.988 6.921 ( -7.371 3.522 1.352) 8.280 7.974 ( 2.418 0.157 3.388) 4.166 8.715 ( -2.766 -10.529 -2.919) 11.271 9.368 ( 11.440 -15.959 2.591) 19.806 9.906 ( -2.616 4.962 1.542) 5.818 10.350 ( -6.817 12.072 5.132) 14.783 11.240 ( 5.575 18.354 -2.343) 19.324 11.531 ( -12.111 -5.893 -5.836) 14.679 12.387 ( 10.478 1.160 -3.241) 11.029 12.732 ( 0.941 8.627 1.743) 8.852 13.339 ( -0.034 -4.905 -1.249) 5.062 13.785 ( -7.033 -0.558 -1.831) 7.289 14.197 ( 2.609 4.797 6.011) 8.121 14.823 ( -3.169 -5.982 -8.396) 10.785 18.286 ( -3.419 -3.379 0.995) 4.909 18.915 ( 11.045 -6.897 -1.736) 13.136 19.139 ( -5.455 -2.474 -8.634) 10.509 19.589 ( -14.187 8.306 6.468) 17.666 21.420 ( 9.851 0.688 -10.496) 14.411 22.339 ( 4.073 4.318 10.757) 12.286 24.041 ( 3.121 4.201 -3.266) 6.169 24.264 ( -2.594 -3.687 -0.443) 4.530 ======================= Grid point 199 (88/432) ======================= q-point: (-0.45 0.55 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 7.912 -0.000 3.456) 8.634 2.410 ( 3.307 -0.000 18.826) 19.114 2.681 ( 3.300 -0.000 -1.006) 3.450 2.774 ( 4.625 -0.000 3.227) 5.639 3.172 ( -1.408 0.000 6.395) 6.548 3.569 ( -0.180 0.000 -12.336) 12.337 4.128 ( 1.650 -0.000 8.399) 8.559 4.298 ( 4.891 -0.000 -1.860) 5.233 4.526 ( 3.518 -0.000 7.879) 8.629 4.536 ( -1.602 0.000 0.291) 1.629 5.166 ( 0.138 -0.000 10.238) 10.239 5.597 ( -1.558 0.000 13.824) 13.911 5.756 ( 2.029 -0.000 8.126) 8.376 6.152 ( -1.628 0.000 -1.937) 2.530 7.406 ( -9.934 0.000 -0.556) 9.950 8.110 ( 7.734 -0.000 0.639) 7.760 8.282 ( -8.936 0.000 -1.656) 9.089 8.994 ( 0.044 -0.000 -1.661) 1.662 9.165 ( 7.404 -0.000 7.864) 10.801 10.460 ( 5.478 -0.000 5.765) 7.953 12.111 ( -10.714 0.000 0.873) 10.750 12.325 ( 4.503 -0.000 -3.858) 5.929 12.677 ( 2.172 -0.000 -10.236) 10.464 12.901 ( -6.113 0.000 -0.568) 6.139 12.956 ( -1.341 0.000 3.359) 3.617 13.718 ( 6.834 -0.000 11.173) 13.097 14.478 ( -12.316 0.000 -9.377) 15.480 15.216 ( 0.833 -0.000 -16.517) 16.538 16.937 ( 10.807 -0.000 28.539) 30.517 19.330 ( -7.915 0.000 -21.806) 23.198 19.906 ( -2.886 0.000 1.312) 3.171 20.039 ( -9.855 0.000 -18.930) 21.341 21.349 ( 5.075 -0.000 7.398) 8.971 21.513 ( 12.341 -0.000 14.488) 19.031 24.353 ( -1.996 0.000 -1.602) 2.560 24.408 ( -2.846 0.000 -5.138) 5.874 ======================= Grid point 201 (89/432) ======================= q-point: (-0.36 0.55 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 13.166 2.805 7.140) 15.238 2.571 ( 4.348 13.631 10.208) 17.576 2.772 ( 4.507 -4.981 3.188) 7.436 2.871 ( 3.455 -3.789 -1.981) 5.497 3.207 ( -2.031 -4.435 1.403) 5.076 3.490 ( 4.571 -2.560 -6.478) 8.332 4.174 ( 4.121 17.562 10.899) 21.076 4.368 ( -1.079 -1.832 2.029) 2.939 4.570 ( 6.109 -8.202 -0.364) 10.234 4.716 ( 1.551 -8.616 8.352) 12.100 5.262 ( -2.115 0.037 8.689) 8.942 5.783 ( 4.585 0.932 14.605) 15.336 5.917 ( 5.573 -3.220 7.977) 10.250 6.093 ( -3.553 0.519 -0.184) 3.596 7.257 ( -9.961 0.675 -1.486) 10.094 8.087 ( -5.357 4.683 -4.088) 8.206 8.295 ( 4.581 -10.642 1.144) 11.642 8.983 ( 1.392 0.117 -1.145) 1.806 9.398 ( 9.864 -3.694 9.648) 14.284 10.608 ( 5.191 3.540 9.300) 11.223 11.903 ( -16.972 -0.840 -5.147) 17.756 12.340 ( 6.410 0.052 -6.615) 9.212 12.418 ( 0.617 30.413 -8.552) 31.598 12.922 ( -2.179 -11.213 2.818) 11.765 13.005 ( -2.553 -7.233 -0.433) 7.683 13.942 ( 6.330 1.524 13.648) 15.121 14.196 ( -14.086 1.080 -7.743) 16.110 15.021 ( -2.987 -4.545 -18.501) 19.284 17.431 ( 10.723 -4.037 29.639) 31.777 19.006 ( -6.887 -0.423 -16.427) 17.818 19.690 ( -9.807 0.053 -19.518) 21.843 19.880 ( -4.369 0.764 2.432) 5.059 21.467 ( 8.416 3.918 0.190) 9.285 21.837 ( 8.848 -2.197 15.986) 18.403 24.291 ( -3.176 1.186 -3.874) 5.148 24.311 ( -1.541 -0.146 -5.148) 5.375 ======================= Grid point 202 (90/432) ======================= q-point: (-0.27 0.55 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 5.332 8.547 3.970) 10.828 2.603 ( 6.795 6.502 5.632) 10.962 2.823 ( -0.299 -4.165 -3.254) 5.294 2.938 ( 4.897 -1.938 0.601) 5.300 3.227 ( 1.811 -2.976 -2.102) 4.069 3.606 ( 11.892 -4.887 -0.028) 12.857 4.231 ( 6.798 14.800 9.665) 18.938 4.372 ( -6.277 -2.143 7.586) 10.076 4.738 ( 9.379 -4.577 -1.543) 10.550 4.869 ( -3.497 -9.919 6.827) 12.539 5.292 ( -4.058 0.009 3.251) 5.199 5.895 ( -3.928 2.446 -2.811) 5.415 6.055 ( 3.133 -0.327 16.761) 17.054 6.253 ( 7.898 -7.008 14.767) 18.154 7.106 ( -8.897 1.174 -1.816) 9.156 7.940 ( -7.162 -2.816 -4.144) 8.741 8.468 ( 7.382 -7.005 0.775) 10.206 9.020 ( 4.084 -3.149 -0.260) 5.163 9.678 ( 10.127 -4.762 9.332) 14.571 10.702 ( -0.660 9.632 9.396) 13.472 11.594 ( -18.179 -4.175 -10.880) 21.593 12.066 ( -0.541 32.899 -4.819) 33.254 12.353 ( 7.740 0.606 -6.788) 10.313 12.966 ( -2.457 7.993 3.752) 9.165 13.050 ( -2.009 -20.023 -3.221) 20.380 13.945 ( -11.227 0.686 -4.536) 12.128 14.149 ( 4.188 2.855 12.615) 13.595 14.819 ( -3.875 -7.230 -16.516) 18.441 17.918 ( 7.821 -6.421 25.204) 27.160 18.815 ( -0.385 -1.130 -9.500) 9.575 19.355 ( -7.884 -0.715 -19.036) 20.617 19.823 ( -7.929 2.628 3.935) 9.234 21.504 ( 8.606 5.438 -6.300) 11.972 22.134 ( 5.647 -1.608 16.771) 17.769 24.182 ( -1.145 3.052 -5.754) 6.614 24.251 ( -1.930 -1.744 -3.640) 4.474 ======================= Grid point 203 (91/432) ======================= q-point: (-0.18 0.55 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( -2.234 5.232 -8.206) 9.985 2.621 ( -11.834 -5.732 1.603) 13.246 2.938 ( 7.517 -0.606 1.174) 7.633 3.012 ( 8.233 2.612 4.449) 9.716 3.276 ( 7.519 3.229 -0.532) 8.200 3.816 ( 15.583 -3.157 -2.690) 16.125 4.284 ( 0.151 3.223 3.133) 4.497 4.431 ( -3.995 2.440 14.178) 14.931 4.816 ( 3.502 0.822 -2.303) 4.271 4.949 ( -5.220 -9.747 2.769) 11.398 5.233 ( -2.898 1.865 -2.602) 4.318 5.757 ( -6.335 0.705 -3.668) 7.354 6.321 ( 0.744 -1.386 20.033) 20.095 6.582 ( 5.024 -6.997 14.354) 16.740 6.977 ( -6.741 2.864 2.713) 7.811 7.884 ( -5.387 -9.336 0.883) 10.815 8.602 ( 7.086 -2.939 -1.840) 7.889 9.153 ( 7.780 -9.487 1.070) 12.316 9.919 ( 7.036 -1.269 6.534) 9.686 10.603 ( -10.022 15.343 4.587) 18.892 11.279 ( -15.247 -7.445 -13.673) 21.792 11.782 ( 1.609 28.356 -0.102) 28.402 12.396 ( 8.742 0.010 -4.128) 9.668 12.873 ( -5.245 7.577 1.878) 9.405 13.152 ( -1.304 -16.232 -2.355) 16.454 13.802 ( -4.729 1.723 -0.316) 5.043 14.239 ( -2.622 0.207 1.468) 3.012 14.731 ( 2.524 -4.448 -3.365) 6.122 18.231 ( 1.285 -2.906 8.112) 8.712 18.820 ( 7.978 -4.254 -1.989) 9.257 19.102 ( -3.188 -1.778 -12.035) 12.576 19.710 ( -11.868 5.734 5.409) 14.247 21.471 ( 8.485 4.696 -11.198) 14.814 22.381 ( 1.725 0.878 17.247) 17.355 24.097 ( 0.464 2.266 -4.188) 4.784 24.208 ( -1.225 -2.724 -3.416) 4.538 ======================= Grid point 204 (92/432) ======================= q-point: (-0.09 -0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -5.630 -4.193 -10.457) 12.595 2.500 ( -15.073 -11.273 -2.797) 19.029 2.973 ( 2.084 3.253 1.239) 4.057 3.174 ( 3.740 1.015 4.953) 6.289 3.362 ( 12.441 10.368 3.763) 16.626 3.983 ( 15.086 0.775 -6.871) 16.595 4.201 ( -11.651 -0.079 -2.464) 11.909 4.490 ( -6.522 1.945 7.698) 10.275 4.814 ( -2.424 -1.685 3.951) 4.932 4.947 ( -3.463 -6.876 -5.002) 9.181 5.173 ( 5.042 6.879 -3.026) 9.050 5.679 ( -4.394 -3.245 1.361) 5.629 6.403 ( -8.497 0.553 -0.264) 8.519 6.794 ( 0.939 -3.484 10.094) 10.720 7.031 ( -7.039 3.689 27.075) 28.218 7.979 ( -4.114 -14.069 8.600) 16.995 8.658 ( 7.345 1.892 -5.476) 9.356 9.399 ( 10.250 -15.855 1.594) 18.947 9.945 ( -5.373 12.797 0.814) 13.903 10.369 ( -9.151 10.435 0.103) 13.879 11.045 ( -9.373 -12.792 -11.909) 19.832 11.636 ( 5.590 20.634 2.044) 21.475 12.481 ( 6.642 -1.258 -0.604) 6.787 12.771 ( -7.855 2.052 3.724) 8.932 13.239 ( 1.102 -11.628 -2.514) 11.947 13.775 ( 1.624 4.543 3.001) 5.682 14.136 ( -8.013 -4.857 -7.698) 12.127 14.865 ( 9.280 2.155 8.598) 12.833 18.152 ( -2.894 2.417 -17.461) 17.864 18.952 ( 8.733 -3.583 -4.839) 10.608 19.124 ( 5.773 -4.065 8.349) 10.934 19.553 ( -13.007 7.382 7.195) 16.597 21.412 ( 8.290 1.592 -13.716) 16.105 22.539 ( -3.564 5.465 17.048) 18.254 24.067 ( 1.219 -0.377 -1.383) 1.881 24.193 ( 0.168 -3.538 -2.632) 4.413 ======================= Grid point 212 (93/432) ======================= q-point: (-0.36 0.64 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 7.461 -0.000 8.601) 11.386 2.674 ( -7.138 0.000 -4.714) 8.554 2.785 ( 7.005 -0.000 -4.309) 8.224 2.930 ( 5.943 -0.000 5.501) 8.099 3.205 ( 5.744 -0.000 -0.285) 5.751 3.554 ( 12.662 -0.000 -1.341) 12.733 4.353 ( -6.332 0.000 7.789) 10.039 4.458 ( 1.753 -0.000 7.256) 7.465 4.555 ( 5.546 -0.000 3.637) 6.632 4.825 ( 3.757 -0.000 5.158) 6.381 5.294 ( -3.635 0.000 3.409) 4.983 5.920 ( -3.646 0.000 -6.273) 7.256 6.060 ( 5.387 -0.000 20.339) 21.040 6.181 ( 6.464 -0.000 12.328) 13.920 7.116 ( -8.770 0.000 -1.503) 8.898 7.909 ( -12.514 0.000 -3.579) 13.015 8.411 ( 12.767 -0.000 0.805) 12.793 8.995 ( 2.481 -0.000 -0.776) 2.600 9.638 ( 11.052 -0.000 10.393) 15.171 10.787 ( 1.731 -0.000 9.481) 9.637 11.553 ( -20.621 0.000 -10.940) 23.343 12.352 ( 7.902 -0.000 -7.635) 10.988 12.512 ( 4.239 -0.000 -12.721) 13.408 12.722 ( -7.467 0.000 3.481) 8.239 13.037 ( -3.622 0.000 5.138) 6.286 13.951 ( -11.638 0.000 -4.584) 12.509 14.173 ( 3.497 -0.000 12.640) 13.115 14.754 ( -2.781 0.000 -16.519) 16.752 17.864 ( 9.190 -0.000 25.698) 27.291 18.806 ( -0.730 0.000 -9.535) 9.563 19.349 ( -7.554 0.000 -19.936) 21.319 19.845 ( -7.044 0.000 3.780) 7.994 21.557 ( 8.692 -0.000 -7.001) 11.161 22.116 ( 4.126 -0.000 19.674) 20.102 24.216 ( -4.754 0.000 -2.562) 5.400 24.228 ( 1.503 -0.000 -7.710) 7.855 ======================= Grid point 214 (94/432) ======================= q-point: (-0.27 -0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -9.649 0.695 -12.849) 16.084 2.540 ( -12.514 -2.953 -2.930) 13.187 2.950 ( 12.324 0.996 5.486) 13.526 3.061 ( 4.616 2.373 6.467) 8.292 3.337 ( 15.654 2.675 -1.019) 15.913 3.754 ( 17.028 -3.041 -2.026) 17.416 4.319 ( -7.504 0.972 4.521) 8.815 4.498 ( -4.507 4.767 10.823) 12.656 4.724 ( 2.957 -8.145 1.702) 8.831 4.884 ( -2.453 0.161 3.496) 4.274 5.260 ( -0.600 0.927 -1.584) 1.931 5.768 ( -6.049 0.493 -6.984) 9.253 6.335 ( 1.528 2.590 20.037) 20.261 6.467 ( 8.168 -5.861 13.821) 17.091 7.011 ( -6.262 1.078 3.319) 7.169 7.745 ( -11.962 -5.146 0.707) 13.041 8.585 ( 13.165 -0.035 -1.688) 13.273 9.048 ( 5.120 -3.089 -0.102) 5.980 9.899 ( 10.272 -0.757 9.171) 13.791 10.814 ( -6.508 8.403 4.659) 11.605 11.156 ( -20.387 -5.733 -13.168) 24.937 12.268 ( 2.318 26.356 -7.458) 27.488 12.394 ( 7.798 -0.069 -4.572) 9.040 12.819 ( -1.953 -20.736 0.780) 20.842 12.972 ( -11.286 2.832 2.972) 12.010 13.824 ( -2.984 0.731 0.149) 3.076 14.223 ( -6.203 -1.187 -3.951) 7.450 14.683 ( 6.469 -1.287 1.807) 6.839 18.196 ( 4.353 -1.152 12.313) 13.111 18.773 ( 5.780 -1.335 -3.080) 6.684 19.082 ( -1.810 -0.596 -13.887) 14.018 19.774 ( -10.169 1.891 5.042) 11.507 21.544 ( 8.067 2.872 -12.219) 14.921 22.381 ( -0.380 -0.378 22.192) 22.199 24.116 ( -4.961 0.241 -2.637) 5.623 24.181 ( 3.542 -0.585 -7.380) 8.207 ======================= Grid point 215 (95/432) ======================= q-point: (-0.18 -0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -11.486 -3.682 -13.789) 18.320 2.330 ( -17.656 -8.054 -5.425) 20.151 3.070 ( 4.603 7.033 3.328) 9.040 3.191 ( 5.134 0.526 5.041) 7.214 3.520 ( 16.980 7.360 1.864) 18.600 3.972 ( 17.778 -1.841 -4.757) 18.496 4.216 ( -13.367 2.491 -0.447) 13.604 4.458 ( -14.646 -5.703 3.461) 16.094 4.779 ( 2.980 -0.676 -0.956) 3.202 4.881 ( -6.930 -2.205 6.111) 9.499 5.265 ( 6.878 3.830 -1.795) 8.074 5.636 ( -4.848 -1.752 -3.025) 5.978 6.420 ( -6.533 1.512 0.888) 6.765 6.739 ( 6.251 -2.889 10.928) 12.916 7.084 ( -6.223 2.318 26.454) 27.275 7.721 ( -9.663 -13.668 6.696) 18.029 8.703 ( 12.489 2.513 -5.393) 13.834 9.192 ( 8.499 -8.612 0.904) 12.133 10.080 ( 4.369 4.284 5.373) 8.143 10.566 ( -15.759 11.111 -3.548) 19.605 10.879 ( -11.355 -7.368 -8.846) 16.170 12.019 ( 3.216 23.679 -4.779) 24.370 12.460 ( 5.798 -1.200 -1.570) 6.125 12.796 ( -16.569 0.881 3.302) 16.917 12.993 ( 2.369 -16.787 1.357) 17.008 13.841 ( 3.674 2.988 3.267) 5.753 14.043 ( -9.359 -5.140 -10.592) 15.040 14.894 ( 11.143 1.216 11.237) 15.872 18.188 ( -0.906 1.664 -16.026) 16.138 18.892 ( 10.195 -3.118 -0.624) 10.679 19.075 ( 5.827 -1.729 6.173) 8.663 19.658 ( -12.636 4.609 6.016) 14.734 21.460 ( 7.455 3.303 -15.352) 17.383 22.600 ( -5.084 2.026 23.752) 24.374 24.035 ( -5.315 -2.561 -0.855) 5.962 24.164 ( 5.595 -0.376 -6.965) 8.942 ======================= Grid point 216 (96/432) ======================= q-point: (-0.09 -0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -12.430 -9.386 -13.275) 20.465 2.120 ( -19.554 -14.267 -4.045) 24.541 3.085 ( 2.391 6.578 2.454) 7.417 3.261 ( 2.796 4.070 1.944) 5.307 3.670 ( 10.023 9.828 2.927) 14.339 3.849 ( -24.016 0.427 -12.794) 27.215 4.123 ( 8.049 -0.307 -4.473) 9.213 4.363 ( -9.720 -5.254 3.125) 11.483 4.839 ( -9.557 -0.155 9.362) 13.379 4.866 ( 8.749 -1.343 -5.362) 10.349 5.309 ( 8.423 6.382 -1.397) 10.660 5.621 ( -1.319 -5.317 1.899) 5.798 6.225 ( -9.164 2.438 -10.369) 14.051 6.889 ( -4.040 2.503 10.932) 11.921 7.316 ( -11.094 3.614 36.186) 38.021 7.855 ( -7.666 -19.819 10.580) 23.738 8.768 ( 13.661 4.102 -7.429) 16.082 9.419 ( 9.380 -12.706 1.001) 15.825 9.981 ( -9.964 17.486 0.005) 20.125 10.262 ( -11.113 2.917 -6.159) 13.036 10.782 ( -1.633 -6.181 -3.400) 7.241 11.861 ( 5.401 15.948 -3.820) 17.265 12.517 ( 1.852 -2.510 -0.080) 3.120 12.638 ( -16.955 -4.968 5.872) 18.618 13.182 ( 5.266 -11.065 1.801) 12.386 13.854 ( -8.731 -6.472 -6.724) 12.780 13.929 ( 5.727 3.738 3.247) 7.571 15.174 ( 13.518 3.784 12.578) 18.848 17.872 ( 0.361 4.044 -32.771) 33.022 19.059 ( 11.457 -0.299 2.485) 11.727 19.280 ( 4.933 -1.322 8.161) 9.627 19.537 ( -9.027 3.201 8.398) 12.738 21.354 ( 6.726 1.249 -16.156) 17.544 22.727 ( -10.706 7.968 23.451) 26.982 24.015 ( -4.536 -6.800 2.698) 8.608 24.176 ( 6.490 -0.721 -5.873) 8.782 ======================= Grid point 225 (97/432) ======================= q-point: (-0.27 -0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -13.500 0.000 -14.152) 19.559 2.258 ( -18.529 0.000 -6.701) 19.704 3.165 ( 0.855 -0.000 4.403) 4.486 3.171 ( 9.876 -0.000 4.702) 10.938 3.585 ( 18.878 -0.000 -0.192) 18.879 3.949 ( 17.860 -0.000 -2.697) 18.063 4.268 ( -10.272 0.000 5.963) 11.878 4.369 ( -18.178 0.000 -7.460) 19.649 4.786 ( 4.390 -0.000 2.161) 4.893 4.856 ( -9.875 0.000 9.084) 13.418 5.297 ( 7.233 -0.000 -1.267) 7.343 5.621 ( -4.896 0.000 -5.292) 7.209 6.439 ( -6.837 0.000 0.906) 6.896 6.710 ( 10.611 -0.000 11.403) 15.576 7.104 ( -5.946 0.000 26.191) 26.858 7.596 ( -12.697 0.000 6.481) 14.255 8.726 ( 13.468 -0.000 -5.720) 14.632 9.118 ( 7.790 -0.000 0.572) 7.811 10.114 ( 7.325 -0.000 7.197) 10.269 10.682 ( -21.796 0.000 -13.795) 25.795 10.801 ( -6.836 0.000 1.586) 7.018 12.297 ( 2.978 -0.000 -14.634) 14.934 12.444 ( 3.876 -0.000 -1.808) 4.277 12.772 ( 1.690 -0.000 9.279) 9.432 12.813 ( -18.663 0.000 4.066) 19.101 13.867 ( 4.472 -0.000 3.244) 5.525 13.995 ( -9.111 0.000 -11.937) 15.016 14.904 ( 11.503 -0.000 12.103) 16.697 18.203 ( -0.154 0.000 -15.532) 15.533 18.863 ( 10.080 -0.000 1.373) 10.173 19.062 ( 6.372 -0.000 4.723) 7.932 19.697 ( -12.139 0.000 5.738) 13.427 21.493 ( 7.155 -0.000 -16.286) 17.789 22.615 ( -5.843 0.000 26.854) 27.482 24.010 ( -6.872 0.000 -1.337) 7.001 24.163 ( 6.735 -0.000 -8.087) 10.525 ======================= Grid point 226 (98/432) ======================= q-point: (-0.18 -0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -15.960 -3.260 -12.211) 20.358 1.935 ( -22.045 -6.442 -6.657) 23.912 3.181 ( 0.058 3.710 1.444) 3.982 3.315 ( 6.685 1.911 2.322) 7.331 3.786 ( 12.422 3.497 0.350) 12.910 3.866 ( -30.414 0.999 -14.362) 33.650 4.136 ( 6.528 3.448 -1.227) 7.484 4.243 ( -1.180 -8.067 0.577) 8.173 4.841 ( -8.440 0.669 11.530) 14.305 4.862 ( 4.342 -0.232 -0.849) 4.430 5.380 ( 7.904 2.150 -1.187) 8.277 5.552 ( -1.426 -2.478 -0.582) 2.918 6.261 ( -8.035 1.405 -10.934) 13.641 6.948 ( 6.616 3.543 10.030) 12.527 7.345 ( -15.614 -0.514 38.866) 41.888 7.579 ( -9.694 -9.823 9.842) 16.951 8.801 ( 12.014 0.552 -9.488) 15.319 9.275 ( 10.774 -4.260 1.946) 11.748 10.189 ( -3.663 6.611 2.286) 7.896 10.271 ( -16.795 -0.621 -10.485) 19.808 10.762 ( -0.007 1.174 2.040) 2.354 12.113 ( 3.276 11.133 -12.978) 17.410 12.465 ( 0.277 -3.134 -1.330) 3.416 12.610 ( -20.810 1.848 9.262) 22.853 12.973 ( 3.046 -11.257 7.890) 14.080 13.764 ( -8.448 -3.060 -10.117) 13.530 13.981 ( 6.914 1.702 3.998) 8.166 15.215 ( 13.981 1.195 13.440) 19.430 17.920 ( 2.729 1.535 -33.659) 33.805 19.050 ( 12.590 -0.488 3.821) 13.166 19.262 ( 7.146 -0.609 10.789) 12.955 19.587 ( -12.620 1.909 5.826) 14.030 21.380 ( 6.167 1.146 -17.761) 18.836 22.822 ( -10.693 3.024 30.498) 32.460 23.923 ( -6.855 -3.274 0.321) 7.604 24.170 ( 7.464 -0.166 -7.374) 10.494 ======================= Grid point 227 (99/432) ======================= q-point: (-0.09 -0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -17.771 -8.174 -10.197) 22.059 1.671 ( -23.034 -15.802 -3.130) 28.109 3.110 ( -13.589 -1.341 -14.335) 19.798 3.247 ( -21.259 3.782 -2.726) 21.764 3.398 ( 0.521 4.178 2.073) 4.693 3.824 ( -0.706 4.582 -3.568) 5.850 4.095 ( -5.227 -0.293 3.226) 6.149 4.397 ( 13.388 -0.627 -1.189) 13.456 4.811 ( -8.334 2.825 6.415) 10.890 4.940 ( 5.451 -0.701 0.751) 5.547 5.437 ( 6.713 3.574 -1.445) 7.741 5.605 ( 2.707 -4.943 1.454) 5.820 5.999 ( -7.585 2.206 -13.041) 15.247 6.987 ( -10.675 12.295 13.548) 21.182 7.568 ( -16.850 3.271 34.282) 38.339 7.712 ( -6.291 -21.472 11.860) 25.324 8.859 ( 12.533 -3.501 -8.830) 15.726 9.475 ( 8.801 -4.820 0.421) 10.043 9.943 ( -13.286 10.344 -0.306) 16.840 10.081 ( -5.432 1.164 -4.736) 7.300 10.809 ( 3.927 5.047 3.485) 7.283 11.939 ( 3.644 8.647 -11.413) 14.775 12.438 ( -15.837 -3.932 7.652) 18.023 12.510 ( -5.096 -1.780 5.642) 7.808 13.186 ( 3.192 -12.615 4.508) 13.771 13.618 ( -7.445 -7.275 -2.821) 10.785 14.099 ( 7.227 3.047 3.799) 8.715 15.537 ( 15.023 3.302 12.260) 19.670 17.506 ( 6.242 4.470 -46.440) 47.071 19.272 ( 12.840 0.383 5.302) 13.896 19.371 ( -5.676 5.449 5.157) 9.408 19.574 ( 1.417 -5.189 8.572) 10.120 21.252 ( 5.248 0.378 -16.653) 17.465 22.934 ( -16.452 12.917 30.328) 36.841 23.926 ( -4.625 -10.459 5.399) 12.646 24.194 ( 6.805 -0.795 -5.773) 8.959 ======================= Grid point 237 (100/432) ======================= q-point: (-0.18 -0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -20.579 0.000 -6.644) 21.624 1.515 ( -25.056 0.000 -6.550) 25.898 3.094 ( -21.071 0.000 -18.896) 28.303 3.291 ( -20.191 0.000 -0.667) 20.202 3.435 ( 5.110 -0.000 2.770) 5.812 3.860 ( -2.539 0.000 -3.690) 4.479 4.094 ( -4.754 0.000 3.221) 5.743 4.387 ( 17.785 -0.000 -1.926) 17.889 4.839 ( -9.963 0.000 10.242) 14.288 4.936 ( 5.853 -0.000 -0.060) 5.853 5.465 ( 5.874 -0.000 -1.401) 6.039 5.558 ( 3.390 -0.000 1.334) 3.643 6.022 ( -7.214 0.000 -14.091) 15.830 7.183 ( 8.402 -0.000 7.597) 11.328 7.415 ( -23.406 0.000 26.697) 35.504 7.609 ( -15.832 0.000 28.146) 32.294 8.817 ( 9.411 -0.000 -11.492) 14.854 9.439 ( 11.320 -0.000 1.908) 11.480 9.970 ( -10.755 0.000 -4.945) 11.837 10.154 ( -8.757 0.000 -0.837) 8.797 10.867 ( 6.843 -0.000 5.045) 8.501 12.017 ( 2.585 -0.000 -16.341) 16.544 12.434 ( -0.710 0.000 -0.564) 0.906 12.504 ( -22.725 0.000 21.383) 31.203 13.023 ( -0.476 0.000 5.278) 5.300 13.560 ( -6.042 0.000 -6.249) 8.692 14.126 ( 7.086 -0.000 3.670) 7.980 15.564 ( 15.216 -0.000 12.602) 19.757 17.545 ( 8.775 -0.000 -47.987) 48.782 19.269 ( 12.058 -0.000 5.250) 13.152 19.469 ( 6.027 -0.000 9.712) 11.430 19.488 ( -11.085 0.000 4.037) 11.798 21.257 ( 5.155 -0.000 -17.299) 18.051 23.060 ( -14.381 0.000 38.412) 41.016 23.819 ( -7.172 0.000 0.916) 7.231 24.187 ( 6.991 -0.000 -6.432) 9.499 ======================= Grid point 238 (101/432) ======================= q-point: (-0.09 -0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -24.110 -2.845 -3.335) 24.505 1.194 ( -26.092 -14.920 -0.213) 30.057 2.351 ( -44.883 -4.208 -21.799) 50.074 3.236 ( -2.338 1.970 3.984) 5.022 3.500 ( -1.746 3.211 5.375) 6.500 3.718 ( -5.072 1.196 -5.608) 7.655 4.091 ( -0.125 0.115 -0.511) 0.539 4.584 ( 13.098 1.998 -0.345) 13.254 4.809 ( -6.457 2.324 7.104) 9.877 5.003 ( 2.689 -0.422 1.343) 3.035 5.511 ( 4.412 1.166 -1.791) 4.903 5.647 ( 5.334 -0.076 -0.235) 5.339 5.773 ( -5.307 -1.292 -12.217) 13.382 7.153 ( -12.101 25.592 15.637) 32.340 7.545 ( -8.887 -13.289 6.739) 17.349 7.756 ( -18.149 -8.909 41.433) 46.102 8.848 ( 9.358 -8.832 -7.789) 15.041 9.515 ( 2.708 0.547 -5.614) 6.257 9.921 ( -4.346 6.846 4.428) 9.239 9.997 ( -2.310 -2.010 -0.424) 3.091 10.994 ( 6.333 7.625 5.412) 11.293 11.860 ( 2.373 2.197 -16.070) 16.392 12.374 ( -12.674 9.703 11.808) 19.855 12.524 ( -10.152 1.389 17.813) 20.550 13.124 ( -0.491 -20.189 4.879) 20.776 13.484 ( -4.349 -6.538 2.452) 8.226 14.244 ( 6.075 1.445 2.823) 6.853 15.876 ( 13.850 1.878 9.301) 16.789 17.040 ( 10.426 3.158 -63.328) 64.258 19.342 ( -8.110 1.822 2.216) 8.602 19.507 ( 10.839 1.566 5.222) 12.133 19.655 ( 4.007 -5.321 6.307) 9.173 21.140 ( 4.797 0.105 -14.496) 15.269 23.230 ( -18.593 23.073 38.868) 48.876 23.839 ( -3.918 -18.059 9.906) 20.966 24.210 ( 5.429 -0.831 -4.433) 7.058 ======================= Grid point 249 (102/432) ======================= q-point: (-0.09 -0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -28.086 0.000 1.731) 28.139 0.791 ( -29.754 0.000 9.488) 31.230 1.483 ( -52.993 0.000 -10.177) 53.961 3.260 ( -1.380 0.000 2.865) 3.180 3.439 ( -11.849 0.000 1.048) 11.896 3.717 ( 5.932 -0.000 0.703) 5.974 4.062 ( -0.551 0.000 -3.632) 3.674 4.667 ( -1.580 0.000 -0.151) 1.588 4.914 ( 7.793 -0.000 7.911) 11.105 5.027 ( 0.217 -0.000 -0.106) 0.242 5.463 ( -3.706 0.000 -15.905) 16.331 5.601 ( -0.966 0.000 1.803) 2.046 5.760 ( 7.342 -0.000 1.129) 7.429 7.323 ( -13.189 0.000 8.146) 15.502 7.467 ( 4.055 -0.000 2.334) 4.679 8.027 ( -17.468 0.000 64.930) 67.239 8.826 ( 7.084 -0.000 -4.910) 8.619 9.463 ( 2.006 -0.000 -7.914) 8.164 9.848 ( -8.770 0.000 -1.571) 8.909 10.087 ( 6.538 -0.000 4.220) 7.781 11.162 ( 5.495 -0.000 2.977) 6.249 11.692 ( 0.563 -0.000 -21.938) 21.946 12.448 ( 3.608 -0.000 -0.794) 3.694 12.889 ( -10.121 0.000 57.016) 57.907 12.908 ( -6.070 0.000 -4.261) 7.416 13.433 ( -2.789 0.000 2.624) 3.829 14.343 ( 4.183 -0.000 1.516) 4.450 16.118 ( 9.879 -0.000 3.820) 10.592 16.385 ( -1.087 0.000 -58.985) 58.995 19.249 ( -6.359 0.000 -1.592) 6.555 19.691 ( 8.037 -0.000 4.039) 8.995 19.729 ( 1.630 -0.000 4.140) 4.449 21.063 ( 5.464 -0.000 -11.032) 12.311 23.680 ( -6.212 0.000 2.783) 6.807 23.819 ( -4.288 0.000 58.796) 58.952 24.227 ( 3.520 -0.000 -1.700) 3.909 ======================= Grid point 250 (103/432) ======================= q-point: ( 0.00 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -3.146 0.000 26.010) 26.200 1.230 ( 5.846 -0.000 26.196) 26.840 2.111 ( -4.334 0.000 44.769) 44.978 3.182 ( -1.152 0.000 -3.985) 4.148 3.432 ( 0.275 -0.000 8.413) 8.417 3.910 ( 7.900 -0.000 -6.149) 10.011 4.019 ( -4.379 0.000 8.286) 9.372 4.386 ( -3.330 0.000 -12.916) 13.338 4.735 ( 1.049 -0.000 -11.279) 11.327 5.037 ( 4.513 -0.000 -1.494) 4.753 5.593 ( 3.482 -0.000 4.552) 5.731 5.973 ( -0.080 0.000 4.393) 4.393 6.119 ( -0.174 0.000 24.627) 24.627 7.330 ( -2.668 0.000 -8.575) 8.980 7.412 ( -32.094 0.000 5.820) 32.618 7.663 ( -30.389 0.000 19.181) 35.936 9.197 ( 5.533 -0.000 13.614) 14.696 9.387 ( -7.337 0.000 -2.691) 7.815 9.849 ( 2.782 -0.000 3.903) 4.793 9.881 ( -6.192 0.000 -7.736) 9.908 10.568 ( 24.455 -0.000 7.485) 25.575 11.113 ( -4.250 0.000 -6.096) 7.432 12.327 ( -1.810 0.000 -8.853) 9.036 12.631 ( -5.974 0.000 15.850) 16.938 12.654 ( 4.778 -0.000 -5.588) 7.352 13.567 ( -0.292 0.000 5.517) 5.525 14.342 ( -1.807 0.000 -2.639) 3.198 15.889 ( -3.135 0.000 -16.717) 17.008 18.880 ( 5.087 -0.000 -12.643) 13.628 19.362 ( 30.440 -0.000 -4.128) 30.719 19.623 ( 13.708 -0.000 -5.838) 14.900 19.792 ( -7.760 0.000 -2.957) 8.304 21.083 ( 17.134 -0.000 1.562) 17.205 22.301 ( -74.195 0.000 -1.917) 74.220 23.740 ( -5.021 0.000 5.445) 7.407 24.246 ( 5.410 -0.000 -1.448) 5.600 ======================= Grid point 251 (104/432) ======================= q-point: ( 0.09 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 3.962 -3.141 24.979) 25.485 1.601 ( 7.539 -5.646 21.605) 23.569 2.668 ( 12.588 -4.072 35.127) 37.536 3.147 ( 4.174 1.431 -4.836) 6.547 3.503 ( -5.755 0.139 10.849) 12.282 3.901 ( 4.301 5.077 -7.677) 10.159 4.005 ( -6.088 3.317 2.490) 7.367 4.219 ( 2.275 -2.972 -15.469) 15.915 4.671 ( 4.976 0.628 -5.273) 7.277 5.021 ( -3.940 -1.284 -2.112) 4.651 5.629 ( -1.949 0.925 2.437) 3.255 5.995 ( -4.856 0.193 5.451) 7.303 6.423 ( -1.332 1.450 31.460) 31.521 6.980 ( -18.733 18.632 13.786) 29.801 7.248 ( -12.263 -8.886 -4.376) 15.764 7.727 ( -13.502 -6.589 21.818) 26.491 9.231 ( 5.626 14.853 2.054) 16.015 9.540 ( -0.643 -16.687 9.503) 19.214 9.704 ( -1.526 4.686 -3.608) 6.108 9.975 ( 2.473 -7.244 2.018) 7.916 10.773 ( 9.787 22.911 -0.842) 24.928 11.218 ( 13.401 -28.064 -2.097) 31.170 12.207 ( -0.547 -0.619 -9.247) 9.284 12.570 ( 1.787 10.970 -1.675) 11.240 12.846 ( -0.739 -15.110 8.840) 17.522 13.653 ( 2.507 -1.073 6.431) 6.985 14.265 ( -4.248 0.866 -3.068) 5.311 15.605 ( -7.147 2.974 -18.505) 20.059 18.803 ( 9.238 6.959 -10.487) 15.612 19.175 ( -15.239 2.027 -13.244) 20.291 19.606 ( -7.379 2.347 -6.008) 9.801 19.910 ( 10.445 -2.024 -4.174) 11.429 21.315 ( 9.136 8.817 8.411) 15.230 21.661 ( -22.114 -5.089 3.852) 23.016 23.772 ( -3.514 -6.869 2.807) 8.210 24.300 ( 4.463 -0.107 -0.639) 4.509 ======================= Grid point 252 (105/432) ======================= q-point: ( 0.18 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 7.926 -3.099 20.778) 22.453 2.019 ( 11.126 -9.997 18.536) 23.818 3.140 ( 8.463 3.741 -1.075) 9.315 3.167 ( 5.771 -0.725 12.862) 14.116 3.562 ( -3.029 -2.383 11.865) 12.475 3.765 ( 3.249 11.140 -10.016) 15.329 3.859 ( -6.106 3.847 -5.422) 9.027 4.183 ( 6.280 -8.774 -10.689) 15.189 4.730 ( 4.697 1.606 4.358) 6.606 4.958 ( -7.030 -4.724 1.274) 8.565 5.595 ( -3.023 1.831 -1.413) 3.806 5.970 ( -7.594 1.002 5.957) 9.703 6.752 ( -2.809 2.824 33.681) 33.916 6.843 ( -9.148 11.220 12.418) 19.073 7.097 ( -13.063 -4.099 -0.691) 13.708 7.846 ( -10.997 -3.775 20.112) 23.231 9.194 ( 3.068 11.288 -2.359) 11.933 9.579 ( 4.007 8.573 2.611) 9.817 9.812 ( -6.833 -14.689 6.010) 17.279 10.111 ( 6.364 -5.719 5.528) 10.187 10.666 ( 2.010 7.160 -3.656) 8.287 11.644 ( 19.104 -17.084 1.049) 25.650 12.109 ( 1.194 2.103 -9.280) 9.590 12.471 ( 3.271 6.326 -6.525) 9.659 13.062 ( -0.797 -14.235 8.807) 16.758 13.793 ( 4.847 -2.979 6.485) 8.627 14.151 ( -6.191 1.882 -2.755) 7.032 15.261 ( -8.714 4.695 -17.216) 19.859 18.737 ( -4.940 8.168 -8.761) 12.957 18.832 ( 1.719 1.368 -13.691) 13.867 19.415 ( -9.322 -0.541 -6.476) 11.363 19.869 ( -12.210 0.742 3.168) 12.636 21.310 ( 4.270 10.589 -0.910) 11.454 21.805 ( 11.188 -10.675 5.942) 16.566 23.816 ( -0.971 -6.023 0.778) 6.150 24.345 ( 3.080 0.669 -0.075) 3.153 ======================= Grid point 253 (106/432) ======================= q-point: ( 0.27 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 8.318 -2.307 14.838) 17.166 2.460 ( 12.178 -11.270 15.997) 23.048 3.110 ( 2.439 6.290 -5.293) 8.574 3.215 ( -7.734 5.166 3.655) 9.993 3.519 ( -0.169 13.211 -10.752) 17.035 3.641 ( 3.442 0.938 -7.610) 8.405 3.943 ( 9.815 -8.037 9.081) 15.601 4.246 ( 4.631 -10.690 -6.877) 13.528 4.827 ( 0.508 1.519 7.966) 8.125 4.958 ( -4.922 -5.341 4.634) 8.615 5.466 ( -6.867 3.862 -6.373) 10.134 5.925 ( -7.108 2.332 6.192) 9.711 6.728 ( -9.011 3.512 -3.037) 10.136 6.947 ( -4.269 3.073 10.023) 11.320 7.137 ( -12.517 0.409 40.175) 42.082 7.966 ( -6.442 -3.132 17.134) 18.571 9.053 ( -4.067 11.061 -3.648) 12.337 9.647 ( 5.640 6.726 6.346) 10.832 9.793 ( -7.143 -4.312 -2.469) 8.701 10.288 ( 0.034 -1.906 5.037) 5.386 10.723 ( 8.748 -11.114 1.804) 14.259 11.839 ( -2.377 8.728 -7.982) 12.064 12.096 ( 17.237 -4.400 -1.420) 17.846 12.472 ( 8.647 -3.251 -4.016) 10.074 13.247 ( -1.311 -11.126 6.930) 13.173 13.917 ( -1.441 0.700 0.415) 1.655 14.057 ( -0.833 -3.070 1.865) 3.688 14.943 ( -6.883 4.682 -12.186) 14.758 18.391 ( -12.167 2.318 -16.054) 20.276 18.842 ( 13.088 3.426 -8.347) 15.896 19.241 ( -7.460 0.201 -3.594) 8.283 19.731 ( -15.898 -1.246 6.833) 17.349 21.272 ( 9.355 7.676 -8.988) 15.074 22.122 ( 9.314 -10.262 9.436) 16.766 23.870 ( 2.471 -4.260 -0.524) 4.953 24.364 ( 1.251 2.308 0.465) 2.666 ======================= Grid point 254 (107/432) ======================= q-point: ( 0.36 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 3.384 1.834 5.699) 6.877 2.840 ( 2.190 -7.083 10.978) 13.247 3.005 ( -0.695 5.225 -2.207) 5.715 3.084 ( -2.368 4.403 1.127) 5.125 3.288 ( -2.688 8.674 -6.865) 11.383 3.678 ( 13.281 -1.708 -8.335) 15.773 4.177 ( 3.980 -5.858 0.676) 7.114 4.322 ( 2.701 -11.672 -3.538) 12.492 4.892 ( -0.749 -0.882 5.116) 5.245 5.007 ( -4.945 -3.435 8.481) 10.401 5.207 ( -11.204 6.009 -10.145) 16.265 5.886 ( -4.932 4.380 5.707) 8.722 6.503 ( -12.020 0.283 -7.815) 14.340 6.993 ( -2.419 3.101 10.729) 11.427 7.454 ( -15.016 -1.078 45.527) 47.951 8.126 ( 0.540 -4.721 12.298) 13.184 8.838 ( -9.047 12.178 -1.527) 15.247 9.665 ( -13.920 -18.029 -2.149) 22.879 9.752 ( 10.903 20.417 3.391) 23.393 10.270 ( -5.493 -3.526 -2.318) 6.926 11.044 ( 13.379 -12.271 5.939) 19.100 11.529 ( -5.653 16.496 -11.582) 20.933 12.354 ( 15.098 -0.309 1.042) 15.137 12.639 ( 10.779 -6.729 2.024) 12.867 13.358 ( -2.257 -4.649 4.009) 6.541 13.790 ( -6.518 3.670 -1.427) 7.615 14.145 ( -0.188 -5.536 -1.827) 5.832 14.792 ( 1.587 0.226 -1.272) 2.046 18.021 ( -10.994 -0.800 -22.530) 25.082 18.886 ( 9.683 3.214 -5.096) 11.404 19.180 ( 0.555 -0.797 0.952) 1.360 19.646 ( -12.302 -3.115 7.942) 14.971 21.215 ( 9.624 6.095 -13.058) 17.329 22.421 ( 3.666 -11.487 12.049) 17.046 23.939 ( 5.731 -2.141 -1.721) 6.356 24.349 ( -0.596 4.477 1.312) 4.703 ======================= Grid point 255 (108/432) ======================= q-point: (-0.55 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -6.385 9.245 -3.955) 11.911 2.693 ( -16.466 10.315 0.698) 19.443 2.992 ( 0.701 0.570 2.606) 2.758 3.180 ( -0.551 -0.544 -2.569) 2.683 3.316 ( 12.300 -8.875 7.412) 16.882 3.778 ( 10.591 -2.471 -7.509) 13.216 4.138 ( -9.109 1.322 -2.304) 9.489 4.415 ( 1.405 -10.635 -3.383) 11.248 4.877 ( -9.220 7.570 -10.761) 16.066 4.963 ( -0.279 -5.137 2.820) 5.866 5.073 ( -3.216 -3.913 7.543) 9.086 5.844 ( -3.268 6.394 4.349) 8.395 6.250 ( -12.406 -0.462 -8.167) 14.861 7.058 ( -3.821 2.061 11.292) 12.098 7.764 ( -18.578 -4.222 43.592) 47.573 8.334 ( 7.890 -7.310 5.629) 12.140 8.587 ( -13.381 12.450 2.387) 18.432 9.625 ( -10.824 -18.751 -2.624) 21.809 9.735 ( 5.628 17.147 2.138) 18.173 10.182 ( -7.420 -5.829 -4.961) 10.660 11.143 ( 3.225 24.170 -7.855) 25.618 11.422 ( 7.321 -12.544 2.936) 14.818 12.503 ( 9.155 2.203 -1.137) 9.485 12.861 ( 5.625 -2.358 8.424) 10.400 13.316 ( -4.337 5.356 -2.194) 7.232 13.764 ( 1.960 -4.083 2.980) 5.421 14.067 ( -6.571 0.607 -4.121) 7.779 14.950 ( 11.052 -6.854 5.805) 14.241 17.598 ( -11.021 -1.697 -28.624) 30.719 18.967 ( 9.161 1.328 2.183) 9.511 19.249 ( 3.696 -3.211 0.932) 4.984 19.642 ( -5.599 -2.076 8.310) 10.233 21.130 ( 9.101 4.693 -15.846) 18.866 22.679 ( -3.309 -13.948 14.273) 20.229 24.013 ( 8.176 0.204 -3.018) 8.717 24.309 ( -1.838 6.576 3.147) 7.518 ======================= Grid point 256 (109/432) ======================= q-point: (-0.45 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( -13.520 12.300 -3.885) 18.686 2.357 ( -19.436 13.449 -0.322) 23.637 3.058 ( 2.590 -1.467 2.273) 3.746 3.203 ( 1.064 -5.102 1.102) 5.327 3.553 ( 0.919 -7.009 0.555) 7.090 3.673 ( -16.377 2.810 -5.633) 17.545 4.047 ( 5.002 -1.594 0.068) 5.251 4.440 ( -6.929 -3.128 1.478) 7.745 4.655 ( 3.369 -0.438 -11.873) 12.350 5.012 ( -2.066 -0.467 3.992) 4.519 5.177 ( 1.880 -9.577 1.506) 9.875 5.791 ( -2.287 7.067 2.602) 7.870 6.013 ( -10.530 0.411 -6.466) 12.364 7.102 ( -8.461 -0.244 11.879) 14.587 7.989 ( -21.503 -5.944 34.482) 41.070 8.335 ( -9.461 7.712 -2.408) 12.441 8.590 ( 7.554 -5.489 8.936) 12.925 9.625 ( -8.623 -17.357 -2.689) 19.567 9.675 ( 2.403 13.320 1.108) 13.580 10.085 ( -6.728 -6.877 -2.651) 9.979 10.925 ( 4.856 21.786 -3.254) 22.556 11.626 ( 6.259 -7.660 -0.706) 9.917 12.545 ( 5.761 4.260 -3.406) 7.933 12.925 ( -13.362 6.401 12.391) 19.314 13.223 ( 5.898 2.244 -6.233) 8.870 13.910 ( 2.430 -5.725 2.218) 6.603 13.961 ( -0.255 4.442 5.226) 6.864 15.260 ( 14.872 -9.430 5.312) 18.394 17.125 ( -10.655 -1.187 -31.685) 33.449 19.151 ( 10.180 -1.027 7.133) 12.473 19.319 ( 0.810 -4.326 0.296) 4.411 19.715 ( 1.922 1.361 7.541) 7.900 21.021 ( 8.652 3.394 -17.978) 20.238 22.886 ( -10.642 -17.713 15.161) 25.629 24.077 ( 9.469 2.293 -4.799) 10.861 24.280 ( -1.540 7.866 7.548) 11.010 ======================= Grid point 257 (110/432) ======================= q-point: (-0.36 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -18.329 12.149 1.302) 22.028 1.954 ( -22.309 14.853 -1.265) 26.832 2.967 ( -19.974 13.250 -5.113) 24.509 3.238 ( -9.749 -3.346 4.777) 11.361 3.373 ( -0.986 -6.615 4.776) 8.218 3.627 ( -3.308 -7.811 -4.811) 9.752 4.152 ( -2.015 -0.396 3.123) 3.738 4.387 ( 4.214 -1.321 -0.701) 4.471 4.680 ( 5.378 -7.641 -4.950) 10.575 5.026 ( -1.077 0.462 2.796) 3.031 5.277 ( 2.134 -10.015 -4.564) 11.211 5.721 ( -4.333 4.770 1.777) 6.685 5.849 ( -2.944 4.096 -2.402) 5.587 7.109 ( -14.530 -5.227 12.763) 20.034 8.047 ( -23.162 0.637 20.606) 31.008 8.178 ( -6.543 0.182 3.762) 7.550 8.808 ( 9.044 -5.276 0.738) 10.496 9.568 ( 4.111 12.049 -4.717) 13.577 9.655 ( -11.799 -17.030 3.107) 20.950 10.108 ( 1.477 -2.889 4.885) 5.864 10.844 ( 4.160 9.213 1.653) 10.242 11.678 ( 0.881 -2.200 -5.820) 6.284 12.512 ( 3.969 6.861 -5.705) 9.766 12.772 ( -17.567 5.182 9.830) 20.787 13.245 ( 4.061 -0.318 -2.021) 4.548 13.936 ( 0.753 4.464 7.731) 8.959 14.124 ( 8.793 0.350 5.353) 10.300 15.592 ( 16.026 -9.999 1.939) 18.989 16.644 ( -10.855 0.608 -27.070) 29.172 19.321 ( -2.475 -5.808 0.978) 6.389 19.416 ( 11.679 1.320 6.854) 13.606 19.811 ( 4.619 5.144 5.528) 8.852 20.905 ( 8.826 1.708 -18.564) 20.626 23.039 ( -17.115 -23.283 14.009) 32.113 24.106 ( 8.264 3.702 -5.844) 10.778 24.331 ( 1.732 7.920 13.028) 15.345 ======================= Grid point 258 (111/432) ======================= q-point: (-0.27 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -21.634 11.403 7.386) 25.547 1.494 ( -26.157 13.824 -2.338) 29.677 2.414 ( -37.112 20.380 9.955) 43.494 3.250 ( -2.131 -3.970 2.065) 4.956 3.503 ( -6.042 -7.366 1.767) 9.689 3.589 ( 1.581 -5.316 0.534) 5.572 4.066 ( -4.986 1.703 -3.235) 6.182 4.551 ( 6.575 -5.983 4.058) 9.772 4.767 ( 4.000 -7.863 -1.980) 9.042 5.045 ( 1.541 1.145 0.889) 2.116 5.268 ( -1.581 -7.389 -10.510) 12.944 5.680 ( -3.177 2.258 6.665) 7.721 5.805 ( 4.163 6.218 -0.153) 7.484 7.117 ( -17.465 -13.165 13.412) 25.655 7.880 ( -19.628 6.911 9.903) 23.045 8.229 ( -5.722 -9.338 9.682) 14.618 8.924 ( 10.278 -2.646 -8.273) 13.457 9.488 ( 5.269 13.392 -0.159) 14.392 9.683 ( -10.302 -16.743 2.057) 19.766 10.209 ( 6.476 8.024 3.974) 11.051 10.920 ( -0.042 -10.131 4.697) 11.167 11.560 ( -5.526 1.794 -9.578) 11.203 12.409 ( -0.165 7.691 -4.612) 8.969 12.645 ( -13.368 -2.289 5.657) 14.695 13.288 ( 2.144 -0.856 1.133) 2.572 13.975 ( 5.538 11.911 -3.306) 13.545 14.264 ( 7.432 2.153 2.066) 8.008 15.862 ( 13.286 -9.420 -3.817) 16.728 16.341 ( -6.336 1.418 5.858) 8.745 19.299 ( -1.669 -0.578 -3.680) 4.082 19.634 ( 9.646 1.095 5.999) 11.412 19.862 ( 2.887 7.486 4.570) 9.234 20.822 ( 10.217 -0.331 -16.814) 19.678 23.152 ( -21.921 -31.427 11.443) 39.989 24.118 ( 7.700 3.342 -4.820) 9.679 24.461 ( 4.055 7.673 12.889) 15.538 ======================= Grid point 259 (112/432) ======================= q-point: (-0.18 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -24.352 10.224 7.781) 27.533 1.050 ( -22.665 13.821 10.173) 28.429 1.990 ( -37.148 17.304 31.793) 51.867 3.273 ( -0.518 -2.182 1.015) 2.462 3.396 ( -10.373 -3.026 -2.278) 11.043 3.740 ( 6.401 -3.831 3.241) 8.134 3.975 ( -2.594 -1.109 -2.646) 3.868 4.651 ( -4.310 -5.542 1.578) 7.196 4.866 ( 4.826 -6.488 -4.815) 9.411 5.031 ( 0.152 2.069 -6.002) 6.350 5.229 ( 5.142 -2.373 0.554) 5.690 5.745 ( -1.117 0.550 11.118) 11.187 5.837 ( 6.085 4.398 1.336) 7.626 7.186 ( -15.261 -21.272 11.275) 28.505 7.681 ( -17.806 5.792 8.942) 20.750 8.373 ( -4.666 -15.493 6.488) 17.432 8.935 ( 11.056 0.574 -15.899) 19.374 9.503 ( 8.639 12.371 6.259) 16.336 9.714 ( -5.743 -11.291 1.684) 12.779 10.204 ( 5.125 12.805 -2.015) 13.938 10.938 ( -24.121 -20.121 -12.966) 33.982 11.338 ( -1.914 11.157 -3.337) 11.802 12.335 ( -0.309 -0.873 -0.653) 1.133 12.563 ( -10.174 -4.496 1.660) 11.247 13.267 ( 0.355 9.811 -10.823) 14.612 13.680 ( -4.585 19.308 -15.484) 25.171 14.340 ( 3.900 -0.525 -0.194) 3.940 16.027 ( 8.225 -7.837 -5.852) 12.780 16.843 ( 27.461 -11.113 55.659) 63.051 19.206 ( 2.442 7.231 -8.521) 11.439 19.744 ( 1.994 -0.880 -0.749) 2.304 19.891 ( 1.761 7.622 6.859) 10.404 20.808 ( 12.525 -1.176 -13.038) 18.118 23.248 ( -26.815 -42.267 6.656) 50.496 24.147 ( 7.388 2.142 -3.789) 8.575 24.495 ( -1.918 11.375 -3.747) 12.129 ======================= Grid point 260 (113/432) ======================= q-point: (-0.09 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -3.905 6.130 25.632) 26.642 0.903 ( -12.144 9.131 22.433) 27.094 1.871 ( -29.018 8.283 43.500) 52.943 3.266 ( -6.699 -1.424 -2.589) 7.321 3.327 ( 2.330 -0.407 4.649) 5.216 3.857 ( 8.556 -1.299 -4.224) 9.630 3.969 ( -3.424 -2.467 5.808) 7.179 4.568 ( -7.188 -2.318 -7.402) 10.575 4.853 ( -0.218 -1.893 -9.511) 9.700 4.976 ( 4.373 0.779 -1.505) 4.690 5.423 ( 10.516 -1.094 6.875) 12.611 5.886 ( -0.051 -0.629 14.998) 15.011 5.909 ( 3.608 1.831 4.750) 6.240 7.307 ( -9.509 -23.826 3.572) 25.901 7.535 ( -15.489 3.358 11.450) 19.552 8.266 ( -25.393 -2.275 -17.652) 31.009 8.960 ( 8.315 -4.432 1.954) 9.622 9.576 ( 1.739 12.593 2.544) 12.965 9.761 ( -1.175 -6.886 0.959) 7.051 10.114 ( 0.602 14.468 -4.615) 15.199 10.386 ( -29.779 -9.467 -4.120) 31.518 11.247 ( 1.080 11.398 -2.244) 11.667 12.391 ( 4.833 -3.988 -4.101) 7.489 12.506 ( -10.487 -9.465 5.900) 15.310 12.858 ( -4.459 25.871 -9.105) 27.787 13.534 ( -2.734 1.458 4.348) 5.339 14.368 ( 1.014 -0.711 -1.568) 1.999 16.045 ( 2.433 -3.860 -12.218) 13.042 18.237 ( 59.882 -28.903 35.905) 75.567 19.071 ( 10.774 17.162 -10.377) 22.766 19.708 ( -4.543 -3.351 -4.957) 7.512 19.894 ( -2.113 6.095 2.630) 6.966 20.888 ( 15.342 -0.902 -6.297) 16.609 23.187 ( -52.429 -48.355 -9.529) 71.957 23.996 ( -18.255 33.574 -10.328) 39.587 24.196 ( 5.795 1.012 -2.677) 6.464 ======================= Grid point 262 (114/432) ======================= q-point: ( 0.09 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 7.750 -0.000 24.329) 25.534 1.917 ( 9.844 -0.000 19.015) 21.412 3.152 ( 11.294 -0.000 18.702) 21.848 3.180 ( 8.084 -0.000 -5.230) 9.628 3.540 ( -4.659 0.000 11.686) 12.581 3.859 ( -4.412 0.000 -5.953) 7.409 3.940 ( 0.050 -0.000 -7.667) 7.667 4.067 ( 5.935 -0.000 -15.882) 16.955 4.745 ( 6.144 -0.000 3.016) 6.844 4.915 ( -9.191 0.000 2.609) 9.554 5.609 ( -2.973 0.000 -1.235) 3.219 5.979 ( -7.786 0.000 6.701) 10.272 6.775 ( -4.541 0.000 35.545) 35.834 6.988 ( -6.500 0.000 -10.465) 12.319 7.016 ( -14.286 0.000 15.586) 21.143 7.808 ( -13.606 0.000 25.719) 29.096 9.346 ( 1.269 -0.000 -5.431) 5.577 9.539 ( -8.893 0.000 11.380) 14.443 9.741 ( 9.785 -0.000 3.394) 10.357 10.050 ( 7.909 -0.000 2.824) 8.398 10.773 ( -6.819 0.000 -8.460) 10.866 11.466 ( 29.294 -0.000 5.655) 29.834 12.123 ( 4.079 -0.000 -9.308) 10.162 12.571 ( 4.246 -0.000 -12.688) 13.380 12.897 ( -4.873 0.000 16.943) 17.630 13.768 ( 4.752 -0.000 6.055) 7.697 14.168 ( -5.832 0.000 -2.947) 6.534 15.300 ( -9.502 0.000 -17.291) 19.730 18.813 ( -15.983 0.000 -15.242) 22.086 18.838 ( 12.423 -0.000 -11.734) 17.089 19.407 ( -11.417 0.000 -5.107) 12.507 19.876 ( -11.729 0.000 2.481) 11.989 21.464 ( 1.097 -0.000 -5.901) 6.003 21.658 ( 12.887 -0.000 11.155) 17.044 23.760 ( 0.328 -0.000 2.321) 2.344 24.351 ( 3.512 -0.000 0.113) 3.514 ======================= Grid point 263 (115/432) ======================= q-point: ( 0.18 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 8.754 2.118 20.112) 22.037 2.288 ( 10.579 -7.520 16.841) 21.263 3.203 ( 3.812 4.336 -4.870) 7.553 3.260 ( -4.625 0.001 0.593) 4.663 3.670 ( 3.659 4.953 -3.671) 7.169 3.736 ( 0.333 5.020 -8.870) 10.198 3.835 ( 6.112 -0.363 2.564) 6.638 4.057 ( 4.240 -11.156 -9.490) 15.248 4.847 ( 0.439 0.939 6.535) 6.617 4.892 ( -5.148 -2.370 8.456) 10.180 5.506 ( -5.961 1.073 -6.652) 8.996 5.954 ( -6.889 0.970 7.355) 10.123 6.766 ( -8.842 1.190 -9.576) 13.088 6.981 ( -4.446 0.936 9.090) 10.162 7.144 ( -14.446 0.324 43.226) 45.578 7.921 ( -12.005 -1.725 22.792) 25.818 9.223 ( -3.818 8.812 -3.900) 10.365 9.484 ( -15.218 -11.474 -0.146) 19.059 9.976 ( 17.386 12.109 7.688) 22.539 10.225 ( 4.822 -6.181 5.741) 9.717 10.614 ( -0.897 -2.274 -5.978) 6.459 11.910 ( 23.109 -0.040 5.229) 23.694 12.081 ( 7.961 1.840 -9.610) 12.614 12.480 ( 6.203 2.895 -8.938) 11.258 13.050 ( -4.804 -9.257 13.324) 16.921 13.901 ( 5.433 -1.248 3.207) 6.431 14.050 ( -6.606 0.679 -2.000) 6.936 14.994 ( -8.916 1.519 -12.916) 15.768 18.421 ( -13.687 1.020 -18.715) 23.208 18.883 ( 13.599 1.311 -10.082) 16.979 19.226 ( -8.977 -1.050 -3.117) 9.560 19.725 ( -16.586 0.080 6.278) 17.734 21.414 ( 10.121 6.838 -11.499) 16.776 21.964 ( 8.033 -6.890 11.858) 15.894 23.815 ( 3.591 -1.860 1.096) 4.190 24.390 ( 2.062 0.808 0.847) 2.371 ======================= Grid point 264 (116/432) ======================= q-point: ( 0.27 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 6.238 4.938 11.910) 14.323 2.668 ( 6.848 -11.005 13.734) 18.884 3.100 ( -1.885 4.529 -4.360) 6.564 3.161 ( -5.933 3.936 -1.946) 7.381 3.474 ( -4.274 11.558 -11.058) 16.557 3.665 ( 10.639 1.659 -7.065) 12.879 4.045 ( 5.098 -10.878 -2.174) 12.209 4.130 ( 5.449 -9.454 -0.977) 10.956 4.875 ( -4.883 -0.726 3.485) 6.043 4.972 ( -2.925 -0.946 11.177) 11.592 5.280 ( -10.143 2.532 -11.377) 15.451 5.951 ( -3.611 3.029 6.983) 8.425 6.516 ( -11.486 1.274 -8.998) 14.646 7.018 ( -3.904 0.043 8.859) 9.681 7.439 ( -18.387 -0.701 45.807) 49.364 8.043 ( -6.758 -4.272 16.751) 18.561 9.018 ( -10.122 9.391 -2.779) 14.084 9.384 ( -12.031 -14.474 -3.438) 19.133 10.051 ( 0.743 11.895 0.984) 11.959 10.286 ( 4.817 7.416 -0.867) 8.886 10.805 ( 13.174 -15.246 6.610) 21.206 11.858 ( 4.214 19.511 -11.388) 22.981 12.344 ( 18.646 -0.810 4.391) 19.173 12.548 ( 11.660 -4.079 0.090) 12.353 13.208 ( -3.977 -11.026 9.357) 14.998 13.872 ( -5.715 5.153 -2.357) 8.047 14.043 ( 1.706 -5.848 -1.644) 6.310 14.794 ( -3.172 0.035 -4.752) 5.714 18.013 ( -12.336 -0.230 -23.141) 26.225 18.929 ( 8.486 1.755 -5.717) 10.382 19.148 ( 0.238 -2.122 -1.764) 2.770 19.617 ( -11.617 -0.752 7.745) 13.983 21.343 ( 10.206 7.958 -13.880) 18.977 22.238 ( 2.287 -9.544 12.176) 15.639 23.905 ( 6.559 -1.651 0.137) 6.765 24.408 ( 0.406 2.412 1.715) 2.987 ======================= Grid point 265 (117/432) ======================= q-point: (-0.64 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -1.462 9.675 -0.466) 9.796 2.790 ( -11.859 -0.225 0.346) 11.866 3.033 ( 0.065 3.908 2.702) 4.752 3.182 ( 7.970 -4.621 4.723) 10.353 3.232 ( -4.576 5.733 -4.499) 8.605 3.725 ( 7.454 -3.722 -7.302) 11.078 4.115 ( -0.247 -6.367 -1.282) 6.499 4.266 ( 3.858 -4.818 -1.027) 6.257 4.838 ( -6.394 -6.359 -1.719) 9.180 4.969 ( -9.412 2.079 -9.804) 13.749 5.057 ( -3.449 0.739 7.029) 7.865 5.952 ( -1.447 5.961 5.218) 8.053 6.252 ( -12.536 0.925 -7.615) 14.696 7.067 ( -6.114 -1.031 10.165) 11.907 7.697 ( -22.158 -3.506 43.896) 49.296 8.197 ( 0.493 -7.774 8.594) 11.599 8.752 ( -15.395 6.563 -1.418) 16.796 9.342 ( -8.078 -12.986 -1.385) 15.356 9.906 ( -8.341 -0.068 -4.775) 9.612 10.249 ( 5.482 15.559 -2.178) 16.640 11.197 ( 14.161 -12.562 7.057) 20.203 11.610 ( 6.372 27.738 -7.988) 29.560 12.534 ( 9.338 1.708 0.332) 9.499 12.819 ( 12.611 -2.908 8.483) 15.474 13.314 ( -4.573 -5.817 4.368) 8.592 13.749 ( -1.690 2.764 -0.944) 3.375 14.030 ( -3.765 -4.500 -5.093) 7.769 14.838 ( 7.244 -5.943 2.347) 9.660 17.574 ( -12.284 -1.058 -26.885) 29.577 18.978 ( 4.542 -0.241 2.195) 5.050 19.201 ( 7.383 -1.784 -2.801) 8.095 19.617 ( -2.971 -1.115 7.966) 8.575 21.237 ( 8.592 7.426 -15.405) 19.139 22.455 ( -4.382 -12.213 12.514) 18.027 24.010 ( 8.450 -0.367 -0.782) 8.494 24.402 ( -0.887 4.307 3.008) 5.328 ======================= Grid point 266 (118/432) ======================= q-point: (-0.55 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( -8.599 13.985 -5.331) 17.261 2.534 ( -16.820 7.322 -3.441) 18.665 3.073 ( 2.054 3.463 5.083) 6.484 3.130 ( -1.730 -3.198 -0.638) 3.691 3.407 ( 3.246 -9.399 2.778) 10.324 3.712 ( -7.176 -0.971 -3.912) 8.231 4.062 ( -4.397 4.609 0.515) 6.391 4.340 ( 2.372 -6.795 0.503) 7.215 4.655 ( -5.514 -1.114 -13.414) 14.545 4.933 ( 0.990 -9.859 -0.252) 9.912 5.075 ( -3.577 -1.295 3.587) 5.229 5.920 ( -2.086 8.280 2.602) 8.926 6.020 ( -9.596 0.390 -4.733) 10.707 7.085 ( -12.484 -2.143 11.601) 17.176 7.888 ( -24.319 -5.715 36.462) 44.199 8.334 ( 4.141 -6.794 -8.016) 11.294 8.542 ( -13.567 -0.142 11.074) 17.513 9.342 ( -7.488 -12.385 -0.127) 14.474 9.780 ( -6.907 -7.123 -3.786) 10.620 10.125 ( 1.802 15.523 -3.612) 16.040 11.392 ( 7.935 29.499 -2.940) 30.689 11.514 ( 12.004 -4.167 3.279) 13.123 12.603 ( 4.885 2.602 -1.146) 5.652 13.017 ( -2.969 3.885 11.948) 12.910 13.262 ( -0.697 1.701 -5.680) 5.970 13.798 ( 2.570 -6.395 0.606) 6.919 13.992 ( 0.956 -0.985 3.559) 3.815 15.083 ( 13.262 -11.155 2.159) 17.464 17.109 ( -12.053 -0.606 -27.944) 30.439 19.109 ( 4.287 -3.602 6.535) 8.606 19.288 ( 9.122 0.474 -1.314) 9.228 19.726 ( 5.034 -0.072 7.092) 8.697 21.101 ( 7.064 5.910 -16.895) 19.243 22.605 ( -11.694 -15.404 12.196) 22.865 24.108 ( 8.997 1.380 -1.962) 9.312 24.392 ( -1.066 5.443 5.620) 7.896 ======================= Grid point 267 (119/432) ======================= q-point: (-0.45 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -12.844 15.849 -2.142) 20.512 2.168 ( -19.984 10.658 -5.058) 23.206 3.133 ( 3.092 3.246 3.032) 5.412 3.185 ( -2.601 -5.551 5.255) 8.074 3.370 ( -22.411 10.846 -0.492) 24.903 3.478 ( -5.752 -9.211 -3.922) 11.546 4.110 ( 0.914 -3.995 6.471) 7.660 4.364 ( -2.653 -1.486 -3.091) 4.336 4.562 ( 5.360 -6.483 -6.878) 10.866 5.010 ( -0.099 -4.049 0.357) 4.066 5.095 ( -0.413 -9.813 -2.817) 10.218 5.798 ( -8.033 4.190 1.183) 9.137 5.928 ( 1.146 5.343 -0.659) 5.504 7.029 ( -21.535 -4.804 13.279) 25.752 7.967 ( -24.527 -5.982 26.022) 36.256 8.219 ( -3.712 0.417 -8.025) 8.852 8.662 ( 1.283 -10.070 6.597) 12.107 9.342 ( -8.500 -13.486 -0.037) 15.941 9.754 ( -3.041 -6.047 -1.730) 6.986 10.020 ( 1.447 6.285 1.684) 6.665 11.225 ( 7.978 31.579 0.474) 32.575 11.666 ( 6.544 0.456 -1.663) 6.767 12.600 ( 2.276 3.495 -2.709) 4.974 12.912 ( -16.443 9.944 7.971) 20.804 13.241 ( 5.803 -0.033 -5.185) 7.782 13.869 ( -0.405 -8.931 1.102) 9.007 14.176 ( 11.595 2.922 10.150) 15.685 15.388 ( 15.408 -13.889 -1.329) 20.787 16.659 ( -11.425 1.083 -22.679) 25.417 19.238 ( 2.607 -3.988 1.238) 4.923 19.443 ( 11.982 1.889 6.189) 13.618 19.881 ( 8.312 3.096 5.737) 10.563 20.949 ( 6.325 3.598 -18.053) 19.464 22.678 ( -19.139 -19.447 10.795) 29.343 24.167 ( 7.734 3.408 -3.718) 9.233 24.431 ( 0.767 4.404 9.673) 10.656 ======================= Grid point 268 (120/432) ======================= q-point: (-0.36 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -15.708 16.332 3.652) 22.952 1.724 ( -22.933 13.546 -4.551) 27.021 2.819 ( -28.185 26.021 7.821) 39.149 3.197 ( 0.591 -1.511 1.993) 2.570 3.352 ( -4.606 -10.361 3.629) 11.905 3.461 ( -1.640 -9.679 0.446) 9.827 4.094 ( -6.277 1.321 -3.101) 7.125 4.421 ( 2.670 -8.901 3.300) 9.862 4.646 ( 5.816 -6.417 -2.326) 8.968 5.037 ( 0.783 -2.144 0.469) 2.331 5.121 ( -0.712 -9.834 -6.921) 12.046 5.725 ( -4.752 2.808 6.453) 8.492 5.908 ( 4.323 5.968 -0.914) 7.426 6.922 ( -28.097 -10.376 15.613) 33.777 7.907 ( -27.189 -2.490 16.613) 31.960 8.146 ( 2.454 -2.527 -3.380) 4.881 8.812 ( 5.517 -8.422 -2.436) 10.359 9.353 ( -8.246 -15.765 -0.071) 17.792 9.718 ( -0.773 3.181 -0.449) 3.304 10.126 ( 1.200 -10.265 6.782) 12.361 11.074 ( 4.336 27.101 1.182) 27.471 11.646 ( 1.679 7.243 -4.348) 8.613 12.549 ( 1.814 5.809 -4.618) 7.639 12.693 ( -15.433 8.069 6.178) 18.478 13.272 ( 3.601 -0.798 -0.702) 3.755 13.962 ( 2.379 -8.668 -2.735) 9.395 14.381 ( 12.243 7.800 2.787) 14.782 15.661 ( 13.833 -14.249 -6.314) 20.839 16.364 ( -7.212 1.371 1.068) 7.418 19.291 ( 5.015 -0.378 -3.181) 5.950 19.658 ( 9.605 1.681 6.610) 11.781 19.996 ( 6.547 8.054 5.075) 11.554 20.820 ( 7.919 0.243 -17.503) 19.212 22.676 ( -26.350 -24.907 9.220) 37.412 24.182 ( 6.538 4.113 -3.957) 8.679 24.541 ( 1.939 2.414 9.914) 10.386 ======================= Grid point 269 (121/432) ======================= q-point: (-0.27 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -18.018 16.802 6.959) 25.601 1.315 ( -18.041 17.002 7.815) 25.993 2.374 ( -28.304 26.379 20.286) 43.686 3.240 ( 1.059 -1.121 1.718) 2.309 3.313 ( -8.410 -6.660 -1.932) 10.901 3.629 ( 3.042 -9.426 6.913) 12.079 3.965 ( -3.564 -0.041 -5.447) 6.509 4.521 ( -3.904 -9.420 0.720) 10.223 4.759 ( 5.405 -6.189 -2.436) 8.571 5.036 ( -0.847 -1.380 -5.277) 5.520 5.166 ( 5.825 -5.192 2.822) 8.298 5.762 ( -2.202 1.339 10.644) 10.951 5.920 ( 5.238 5.022 -0.212) 7.259 6.841 ( -31.035 -18.615 18.237) 40.525 7.722 ( -24.061 0.155 11.187) 26.535 8.212 ( 2.105 -5.898 1.092) 6.357 8.885 ( 8.271 -4.278 -10.560) 14.080 9.394 ( -6.185 -16.863 0.281) 17.963 9.718 ( 1.993 1.416 3.664) 4.405 10.255 ( -4.295 -10.439 -0.004) 11.288 10.868 ( -5.574 20.060 -4.232) 21.246 11.556 ( 3.708 13.911 1.090) 14.438 12.433 ( -2.290 10.514 -1.267) 10.835 12.555 ( -8.041 1.577 2.980) 8.720 13.320 ( 3.383 0.257 -0.793) 3.484 13.907 ( 0.095 3.002 -20.001) 20.226 14.388 ( 4.996 7.382 -5.765) 10.615 15.849 ( 8.799 -12.989 -6.980) 17.171 16.647 ( 12.884 -11.008 39.057) 42.575 19.312 ( 9.913 4.543 -7.085) 13.004 19.759 ( 3.114 2.467 -2.064) 4.477 20.041 ( 2.091 10.131 7.111) 12.553 20.781 ( 12.012 -1.907 -13.395) 18.093 22.614 ( -34.324 -31.740 8.070) 47.441 24.192 ( 6.171 3.274 -3.332) 7.740 24.605 ( -1.875 2.757 1.348) 3.597 ======================= Grid point 270 (122/432) ======================= q-point: (-0.18 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -1.952 15.511 21.571) 26.640 1.129 ( -11.737 16.188 17.058) 26.283 2.131 ( -22.052 21.284 32.814) 44.901 3.220 ( -6.800 -4.095 -1.711) 8.120 3.317 ( 3.379 -0.418 3.763) 5.075 3.801 ( 4.261 -6.128 1.867) 7.694 3.905 ( -2.427 -4.079 0.008) 4.746 4.495 ( -5.203 -6.042 -5.727) 9.817 4.798 ( 1.132 -4.426 -6.912) 8.285 4.993 ( 2.390 0.935 -1.423) 2.935 5.382 ( 9.618 -4.103 6.788) 12.466 5.878 ( -0.791 -0.293 14.240) 14.265 5.953 ( 3.130 3.174 2.642) 5.182 6.834 ( -31.964 -27.282 19.777) 46.445 7.557 ( -19.497 0.555 11.670) 22.730 8.233 ( -7.059 -2.112 -4.362) 8.563 8.888 ( 8.844 -3.297 -10.499) 14.118 9.485 ( -2.905 -16.311 1.299) 16.618 9.829 ( 7.805 2.189 3.915) 9.002 10.153 ( -18.237 -10.085 -4.448) 21.309 10.504 ( -5.116 27.796 -4.714) 28.653 11.531 ( 7.000 19.064 2.359) 20.445 12.354 ( -0.577 3.526 2.728) 4.496 12.474 ( -6.297 1.082 0.296) 6.396 13.237 ( 2.169 15.406 -15.213) 21.759 13.601 ( -4.172 6.934 -4.627) 9.322 14.356 ( 0.553 0.024 -1.874) 1.954 15.922 ( 3.062 -10.422 -12.090) 16.253 17.658 ( 31.895 -34.373 40.684) 62.081 19.332 ( 19.769 10.653 -10.819) 24.927 19.670 ( -4.454 0.413 -8.128) 9.278 20.026 ( -2.317 8.545 3.333) 9.460 20.865 ( 14.240 -1.441 -5.189) 15.224 22.458 ( -46.028 -34.990 5.935) 58.121 24.215 ( 5.539 2.136 -2.519) 6.449 24.392 ( -12.491 13.720 -10.127) 21.139 ======================= Grid point 271 (123/432) ======================= q-point: (-0.09 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -3.761 11.131 22.294) 25.201 1.306 ( 7.671 8.683 24.155) 26.790 2.225 ( -3.788 12.969 40.555) 42.746 3.161 ( -1.511 -2.531 -3.564) 4.625 3.425 ( 0.624 -0.631 8.149) 8.197 3.871 ( 6.330 -4.477 -7.062) 10.487 3.969 ( -4.511 -5.743 8.188) 10.972 4.378 ( -2.255 -0.977 -10.840) 11.115 4.723 ( 0.890 -1.583 -10.491) 10.647 5.041 ( 3.974 0.535 -0.235) 4.017 5.571 ( 3.675 -2.689 4.550) 6.437 5.978 ( -0.198 0.599 3.693) 3.747 6.105 ( -0.081 -1.426 23.087) 23.131 6.896 ( -28.043 -29.430 18.435) 44.637 7.457 ( -15.750 0.596 9.688) 18.501 7.920 ( -17.435 15.059 -3.381) 23.285 9.007 ( 7.546 -10.840 0.815) 13.233 9.582 ( -2.444 -7.643 0.654) 8.051 9.749 ( -4.049 14.686 1.091) 15.273 10.059 ( -6.099 3.309 1.300) 7.060 10.411 ( 14.973 -3.072 2.636) 15.510 11.407 ( 4.868 26.079 -3.890) 26.813 12.339 ( -1.166 1.221 -8.676) 8.839 12.444 ( -3.100 -6.653 8.571) 11.284 12.956 ( 1.440 19.715 -4.461) 20.265 13.579 ( -0.165 1.405 5.460) 5.640 14.330 ( -2.073 -1.237 -2.458) 3.446 15.832 ( -2.652 -6.691 -16.636) 18.126 18.579 ( 15.547 -30.146 5.864) 34.422 19.456 ( 2.790 5.820 -10.136) 12.016 19.507 ( 17.391 -5.807 -9.765) 20.773 19.921 ( -1.725 8.819 -2.311) 9.278 21.052 ( 12.563 -2.871 3.495) 13.353 22.083 ( -52.224 -18.134 4.889) 55.498 23.965 ( -11.079 19.295 -3.074) 22.461 24.254 ( 5.041 0.931 -1.518) 5.347 ======================= Grid point 274 (124/432) ======================= q-point: ( 0.18 0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 7.358 -0.000 15.798) 17.427 2.541 ( 6.673 -0.000 12.669) 14.319 3.141 ( -4.907 0.000 -4.077) 6.380 3.196 ( -2.587 0.000 -4.178) 4.914 3.570 ( -0.570 0.000 -11.161) 11.176 3.788 ( 1.975 -0.000 -12.077) 12.237 3.840 ( 6.304 -0.000 -3.591) 7.255 4.051 ( 8.591 -0.000 4.814) 9.848 4.870 ( -6.355 0.000 3.356) 7.187 4.966 ( -1.854 0.000 11.861) 12.005 5.299 ( -9.999 0.000 -11.921) 15.560 5.978 ( -3.054 0.000 7.389) 7.995 6.531 ( -10.598 0.000 -9.510) 14.240 7.013 ( -4.790 0.000 7.906) 9.244 7.432 ( -19.680 0.000 45.856) 49.901 8.004 ( -10.211 0.000 19.490) 22.003 9.147 ( -18.007 0.000 -7.291) 19.427 9.210 ( -2.642 0.000 -0.147) 2.646 10.125 ( -11.115 0.000 -5.495) 12.399 10.475 ( 23.879 -0.000 13.326) 27.346 10.579 ( 5.301 -0.000 -1.980) 5.659 12.058 ( 9.313 -0.000 -13.302) 16.238 12.333 ( 23.369 -0.000 9.353) 25.171 12.510 ( 8.723 -0.000 -4.186) 9.675 13.089 ( -6.404 0.000 13.685) 15.109 13.940 ( -7.064 0.000 -1.299) 7.183 13.970 ( 4.035 -0.000 -3.129) 5.106 14.794 ( -4.875 0.000 -5.852) 7.617 18.011 ( -12.892 0.000 -23.423) 26.737 18.943 ( 7.130 -0.000 -5.524) 9.020 19.129 ( 1.417 -0.000 -2.680) 3.032 19.612 ( -11.385 0.000 7.162) 13.450 21.424 ( 10.564 -0.000 -15.710) 18.931 22.146 ( 1.353 -0.000 13.771) 13.837 23.890 ( 6.925 -0.000 0.847) 6.976 24.428 ( 0.756 -0.000 1.846) 1.994 ======================= Grid point 275 (125/432) ======================= q-point: ( 0.27 0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 0.700 9.575 3.075) 10.081 2.699 ( -4.289 -8.487 2.092) 9.737 3.096 ( -1.716 2.799 1.798) 3.743 3.128 ( 1.103 -1.772 3.334) 3.934 3.379 ( -5.574 8.441 -8.494) 13.209 3.658 ( 0.304 -3.942 -9.992) 10.746 3.976 ( 9.705 -6.474 -1.013) 11.710 4.231 ( 8.314 -0.918 3.867) 9.215 4.773 ( -11.111 -1.521 -0.099) 11.215 4.975 ( -11.285 -0.482 -12.222) 16.642 5.073 ( -3.166 0.693 5.079) 6.025 6.022 ( -0.494 2.054 5.267) 5.675 6.281 ( -11.711 1.771 -7.245) 13.885 7.035 ( -7.901 -1.832 9.137) 12.217 7.654 ( -24.159 -1.400 43.762) 50.007 8.103 ( -5.255 -2.898 14.300) 15.508 8.811 ( -16.229 1.122 -9.308) 18.742 9.206 ( -3.776 -3.549 2.485) 5.747 9.870 ( -13.382 -1.756 -9.102) 16.279 10.533 ( 4.432 13.858 -2.594) 14.779 10.989 ( 19.728 -10.660 10.790) 24.885 12.002 ( 12.289 15.090 -9.829) 21.802 12.578 ( 8.726 3.963 0.931) 9.629 12.749 ( 16.170 -5.523 8.945) 19.287 13.184 ( -5.613 -6.415 11.486) 14.303 13.826 ( -3.303 5.119 -2.052) 6.428 13.941 ( -2.051 -5.307 -7.224) 9.195 14.766 ( 4.083 -2.374 -0.003) 4.723 17.563 ( -12.961 -0.335 -25.889) 28.955 18.966 ( 0.738 -0.674 2.522) 2.712 19.191 ( 12.174 0.026 -4.751) 13.069 19.602 ( -2.474 -0.550 7.208) 7.640 21.345 ( 8.311 4.203 -16.808) 19.215 22.297 ( -5.323 -5.546 13.175) 15.253 24.004 ( 8.689 -0.247 0.505) 8.707 24.451 ( -0.429 1.492 2.902) 3.292 ======================= Grid point 276 (126/432) ======================= q-point: (-0.64 0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( -5.919 11.935 -5.353) 14.358 2.595 ( -12.008 -0.102 -5.141) 13.063 3.090 ( -2.510 -0.485 0.884) 2.705 3.182 ( -4.613 7.492 2.711) 9.206 3.261 ( 0.728 -7.086 3.386) 7.887 3.632 ( 0.088 -7.160 -3.497) 7.969 4.136 ( 5.376 0.002 1.931) 5.713 4.300 ( -0.371 4.982 1.769) 5.300 4.607 ( -6.864 -3.573 -12.988) 15.118 4.757 ( -6.440 -10.147 -3.358) 12.478 5.075 ( -3.912 0.475 2.222) 4.524 6.023 ( -6.193 0.264 -2.530) 6.695 6.058 ( -4.760 7.121 1.137) 8.641 7.026 ( -15.133 -4.356 10.644) 19.008 7.807 ( -25.329 -3.534 37.291) 45.218 8.227 ( 0.383 -4.355 5.722) 7.200 8.520 ( -14.520 -2.433 -4.528) 15.403 9.215 ( -4.685 -3.565 3.098) 6.652 9.641 ( -11.575 -6.799 -7.567) 15.410 10.397 ( 0.849 13.668 -5.880) 14.903 11.402 ( 16.275 -5.273 7.718) 18.768 11.914 ( 12.712 26.351 -4.134) 29.547 12.644 ( 4.073 2.949 0.470) 5.051 13.037 ( 6.331 -2.428 8.266) 10.691 13.248 ( -7.619 -3.086 5.273) 9.766 13.732 ( -1.045 -0.872 -6.416) 6.559 13.946 ( 4.883 -3.756 3.627) 7.149 14.915 ( 11.186 -7.890 -0.490) 13.697 17.103 ( -12.770 -0.141 -25.360) 28.394 19.054 ( 3.434 -2.463 5.412) 6.867 19.311 ( 13.031 1.591 -2.038) 13.285 19.716 ( 6.366 -0.929 6.692) 9.283 21.202 ( 5.724 5.430 -17.382) 19.089 22.388 ( -12.225 -9.884 11.565) 19.516 24.123 ( 8.747 0.534 0.075) 8.764 24.461 ( -0.969 2.828 4.229) 5.179 ======================= Grid point 277 (127/432) ======================= q-point: (-0.55 0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( -9.175 14.761 -4.551) 17.966 2.315 ( -15.648 6.952 -6.224) 18.219 3.067 ( -3.836 -5.937 3.078) 7.710 3.178 ( -1.846 2.361 5.283) 6.073 3.293 ( -6.767 -10.576 -1.981) 12.711 3.600 ( -7.850 9.418 -0.561) 12.273 4.081 ( -4.739 3.201 5.952) 8.254 4.330 ( -1.510 -2.341 -3.083) 4.155 4.462 ( 3.795 -5.385 -8.323) 10.614 4.831 ( 0.881 -13.850 -0.772) 13.899 5.024 ( -4.061 -1.588 -1.573) 4.635 5.855 ( -9.407 2.515 0.436) 9.747 6.026 ( 1.642 6.176 0.412) 6.404 6.935 ( -25.422 -6.412 12.330) 28.973 7.882 ( -23.471 -3.975 27.193) 36.141 8.194 ( -2.188 -1.648 -11.152) 11.484 8.499 ( -4.518 -9.516 11.016) 15.242 9.201 ( -6.327 -3.903 1.736) 7.634 9.531 ( -8.607 -13.600 -3.519) 16.475 10.232 ( 1.333 12.598 -4.667) 13.501 11.664 ( 11.498 2.804 3.947) 12.475 11.800 ( 10.792 30.603 -0.954) 32.464 12.641 ( -0.659 2.164 -0.875) 2.426 13.067 ( -14.168 7.695 9.031) 18.480 13.231 ( 6.236 -2.084 -5.952) 8.869 13.696 ( -2.758 -10.524 -2.417) 11.144 14.197 ( 14.341 -0.070 10.836) 17.974 15.152 ( 14.451 -13.142 -3.979) 19.934 16.677 ( -11.646 1.026 -19.883) 23.066 19.187 ( 6.994 -2.183 0.967) 7.390 19.476 ( 12.081 1.883 5.011) 13.214 19.914 ( 11.789 0.910 6.082) 13.297 21.021 ( 3.813 4.570 -18.143) 19.094 22.397 ( -19.464 -13.771 9.313) 25.597 24.215 ( 7.266 2.215 -1.018) 7.664 24.487 ( -0.334 2.357 6.373) 6.803 ======================= Grid point 278 (128/432) ======================= q-point: (-0.45 0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -11.412 16.886 0.251) 20.382 1.948 ( -17.376 13.047 -4.113) 22.115 3.116 ( -13.573 2.822 3.545) 14.309 3.168 ( -6.667 -10.343 4.483) 13.097 3.276 ( -5.296 -11.373 0.686) 12.565 3.329 ( -2.604 21.017 2.357) 21.308 4.098 ( -5.320 -1.078 -1.050) 5.529 4.278 ( -0.357 -7.341 -0.437) 7.363 4.550 ( 5.708 -5.121 -0.665) 7.697 4.935 ( 0.447 -10.959 -1.169) 11.030 4.988 ( -0.929 -4.497 -2.646) 5.299 5.767 ( -6.250 2.101 5.801) 8.782 6.004 ( 3.046 5.405 -1.003) 6.285 6.759 ( -33.158 -9.217 14.500) 37.345 7.859 ( -23.639 -2.247 18.024) 29.811 8.088 ( 2.615 -4.109 -9.621) 10.783 8.667 ( 0.044 -9.111 8.309) 12.332 9.164 ( -6.874 -6.211 0.150) 9.266 9.532 ( -8.843 -17.886 -1.281) 19.994 10.148 ( 4.011 7.879 -0.398) 8.850 11.629 ( 7.645 35.569 0.298) 36.383 11.774 ( 6.394 7.439 0.403) 9.818 12.587 ( -2.846 0.292 -1.783) 3.371 12.873 ( -12.996 11.301 5.221) 17.996 13.264 ( 5.355 -0.429 -3.252) 6.280 13.768 ( 0.020 -13.764 -2.028) 13.912 14.476 ( 13.500 3.698 5.218) 14.938 15.402 ( 14.197 -15.928 -7.722) 22.691 16.387 ( -7.810 1.242 -3.190) 8.527 19.286 ( 10.056 -0.255 -4.819) 11.154 19.687 ( 9.534 1.665 7.638) 12.329 20.117 ( 11.874 6.058 6.142) 14.677 20.835 ( 4.408 1.578 -18.457) 19.042 22.320 ( -26.333 -17.602 7.534) 32.558 24.251 ( 5.329 3.964 -2.223) 7.004 24.558 ( 0.245 0.016 7.193) 7.197 ======================= Grid point 279 (129/432) ======================= q-point: (-0.36 0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -12.670 19.116 6.180) 23.752 1.609 ( -12.550 17.808 4.730) 22.293 2.790 ( -20.770 20.026 7.912) 29.917 3.169 ( -9.213 -9.520 0.411) 13.254 3.281 ( 4.159 6.789 2.398) 8.315 3.437 ( 0.233 -12.548 9.685) 15.853 3.967 ( -4.442 0.173 -7.331) 8.573 4.354 ( -2.920 -9.931 0.826) 10.384 4.661 ( 3.914 -5.436 -0.079) 6.699 4.990 ( 0.285 -4.059 -2.464) 4.757 5.051 ( 4.424 -8.397 3.103) 9.986 5.781 ( -3.846 0.690 9.991) 10.728 5.997 ( 3.427 4.109 -0.697) 5.396 6.575 ( -35.986 -13.325 17.741) 42.276 7.721 ( -21.520 0.388 11.053) 24.196 8.113 ( 4.717 -6.549 -4.601) 9.290 8.818 ( 3.433 -4.687 2.977) 6.528 9.139 ( -6.559 -11.390 -1.257) 13.204 9.550 ( -9.788 -17.975 0.395) 20.471 10.173 ( 3.350 1.914 0.788) 3.938 11.375 ( 2.054 35.270 -3.744) 35.528 11.781 ( 5.719 12.776 3.821) 14.510 12.531 ( -1.890 -0.045 -2.651) 3.256 12.679 ( -9.747 12.919 5.488) 17.089 13.319 ( 5.241 -0.177 -0.065) 5.245 13.822 ( 0.327 -10.574 -9.753) 14.389 14.535 ( 6.395 8.331 -9.276) 14.012 15.604 ( 10.188 -15.877 -9.123) 20.955 16.495 ( 4.545 -6.978 25.439) 26.767 19.355 ( 12.930 0.894 -9.045) 15.804 19.814 ( 4.370 3.707 0.591) 5.761 20.220 ( 3.361 10.832 5.366) 12.547 20.748 ( 11.641 -1.969 -13.623) 18.027 22.181 ( -31.583 -20.609 7.461) 38.443 24.254 ( 4.600 3.962 -2.448) 6.546 24.616 ( -2.486 -0.839 2.952) 3.950 ======================= Grid point 280 (130/432) ======================= q-point: (-0.27 0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -2.777 18.847 16.444) 25.167 1.425 ( -6.777 19.045 12.119) 23.570 2.514 ( -14.803 21.962 18.584) 32.355 3.129 ( -6.863 -6.741 -0.433) 9.630 3.332 ( 4.452 3.002 3.745) 6.546 3.649 ( -0.722 -11.165 9.472) 14.660 3.850 ( -2.370 -2.709 -6.620) 7.535 4.379 ( -1.996 -7.341 -3.164) 8.239 4.713 ( 0.504 -5.456 -4.139) 6.867 5.002 ( 1.863 0.068 0.391) 1.905 5.276 ( 8.205 -8.727 6.661) 13.706 5.871 ( -2.232 -0.766 13.046) 13.258 6.006 ( 1.669 2.819 1.552) 3.625 6.457 ( -35.462 -17.616 22.711) 45.647 7.572 ( -17.565 1.514 10.382) 20.460 8.166 ( 0.013 -6.094 -3.900) 7.235 8.868 ( 5.409 1.102 -6.398) 8.450 9.188 ( -4.972 -18.000 1.966) 18.777 9.626 ( -4.693 -19.299 3.912) 20.243 10.162 ( -1.276 5.655 -0.829) 5.856 11.032 ( -0.686 34.509 -5.122) 34.894 11.814 ( 7.071 14.098 6.201) 16.947 12.464 ( -0.183 2.920 -5.171) 5.941 12.532 ( -8.071 10.470 6.479) 14.722 13.376 ( 6.375 3.810 -3.614) 8.260 13.694 ( -2.709 0.907 -14.345) 14.627 14.400 ( -0.240 5.634 -6.162) 8.353 15.709 ( 4.470 -14.538 -12.672) 19.796 17.162 ( 17.435 -24.204 38.089) 48.379 19.407 ( 14.453 -0.300 -13.665) 19.893 19.743 ( -0.537 7.086 -7.794) 10.547 20.160 ( -4.025 7.019 -0.209) 8.094 20.854 ( 14.698 0.517 -2.067) 14.852 22.012 ( -32.885 -19.670 8.105) 39.167 24.257 ( 4.308 2.896 -2.170) 5.626 24.526 ( -8.841 3.690 -4.809) 10.719 ======================= Grid point 281 (131/432) ======================= q-point: (-0.18 0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -1.576 16.363 15.382) 22.514 1.499 ( 8.012 13.772 20.238) 25.757 2.502 ( -2.260 18.071 29.819) 34.941 3.100 ( -2.271 -4.522 -2.072) 5.468 3.422 ( 1.367 0.663 7.156) 7.316 3.770 ( 0.610 -7.048 -4.653) 8.467 3.840 ( -3.224 -9.121 5.020) 10.899 4.356 ( 1.022 -1.608 -6.543) 6.815 4.680 ( -0.009 -3.523 -7.664) 8.435 5.055 ( 3.160 0.970 2.097) 3.914 5.498 ( 4.529 -6.369 4.557) 9.047 5.986 ( -0.573 -0.066 4.020) 4.061 6.081 ( -0.549 -1.090 18.292) 18.333 6.475 ( -29.075 -20.587 28.083) 45.363 7.469 ( -14.579 1.101 9.550) 17.463 8.064 ( -8.940 2.595 -6.012) 11.082 8.886 ( 7.691 -3.595 -4.451) 9.586 9.318 ( -2.388 -18.481 1.187) 18.672 9.842 ( 2.498 -19.692 5.859) 20.696 10.048 ( -2.695 15.570 3.303) 16.143 10.707 ( 0.982 29.250 -3.309) 29.453 11.817 ( 6.543 19.741 0.840) 20.814 12.365 ( -2.549 1.596 -7.055) 7.669 12.432 ( -3.822 5.834 3.919) 8.001 13.255 ( 4.334 14.661 -11.579) 19.178 13.608 ( 0.102 1.632 4.717) 4.992 14.314 ( -2.974 -0.049 -2.655) 3.987 15.674 ( -1.252 -11.804 -16.698) 20.488 18.026 ( 16.086 -32.714 24.780) 44.080 19.371 ( -3.041 -6.364 -16.011) 17.495 19.611 ( 11.781 8.228 -11.360) 18.318 20.026 ( -5.315 3.602 -3.016) 7.094 21.028 ( 7.677 0.988 6.535) 10.130 21.839 ( -24.118 -10.565 6.347) 27.085 24.231 ( -10.188 10.646 -6.069) 15.937 24.279 ( 2.132 2.742 -2.285) 4.157 ======================= Grid point 282 (132/432) ======================= q-point: (-0.09 0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 4.366 10.780 18.817) 22.121 1.749 ( 10.609 10.622 19.124) 24.313 2.790 ( 9.628 9.475 29.735) 32.660 3.104 ( 2.672 -3.320 -3.336) 5.413 3.502 ( -4.620 0.275 11.305) 12.216 3.765 ( 1.978 -9.962 -10.571) 14.659 3.910 ( -5.362 -7.517 2.183) 9.488 4.286 ( 4.255 4.435 -9.685) 11.470 4.649 ( 3.199 -1.954 -3.380) 5.047 5.060 ( -2.141 3.067 -0.440) 3.766 5.595 ( -0.793 -3.327 2.043) 3.984 5.990 ( -4.483 -0.270 3.904) 5.951 6.378 ( 0.030 -3.737 28.897) 29.138 6.654 ( -16.615 -18.892 25.034) 35.492 7.333 ( -14.249 2.544 0.471) 14.482 7.867 ( -10.208 7.570 6.911) 14.466 9.027 ( 8.546 -9.426 -0.775) 12.747 9.449 ( 0.141 -16.180 -1.437) 16.244 9.932 ( -3.427 19.271 10.372) 22.151 10.054 ( 1.364 -4.292 3.034) 5.430 10.571 ( 7.285 5.934 -0.735) 9.425 11.683 ( 8.580 25.772 -4.129) 27.475 12.220 ( -3.734 0.395 -7.918) 8.763 12.436 ( 1.446 -3.341 -0.806) 3.729 13.114 ( 2.707 15.241 0.788) 15.499 13.686 ( 3.129 2.818 7.208) 8.348 14.241 ( -4.957 -1.764 -2.781) 5.952 15.509 ( -5.943 -8.323 -18.490) 21.130 18.571 ( 9.118 -19.934 3.829) 22.252 19.114 ( -13.681 -4.647 -14.292) 20.323 19.579 ( 1.506 -0.012 -10.303) 10.413 19.939 ( -1.245 0.577 -1.728) 2.207 21.174 ( -0.805 -4.988 8.963) 10.289 21.743 ( -1.191 3.820 2.847) 4.911 23.946 ( -7.150 11.760 -2.008) 13.909 24.304 ( 3.680 0.255 -0.909) 3.800 ======================= Grid point 286 (133/432) ======================= q-point: ( 0.27 -0.73 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( -9.232 0.000 -6.049) 11.037 2.551 ( -4.673 0.000 -4.289) 6.343 3.094 ( -3.214 0.000 0.195) 3.219 3.184 ( -3.384 0.000 3.676) 4.996 3.282 ( -8.800 0.000 2.574) 9.169 3.543 ( 4.393 -0.000 -4.221) 6.092 4.116 ( 11.342 -0.000 2.110) 11.537 4.388 ( 7.693 -0.000 4.271) 8.799 4.586 ( -12.999 0.000 -2.457) 13.229 4.631 ( -12.613 0.000 -15.928) 20.317 5.080 ( -4.046 0.000 1.604) 4.353 6.025 ( -6.811 0.000 -2.707) 7.329 6.127 ( -3.738 0.000 1.212) 3.930 6.979 ( -16.369 0.000 10.433) 19.411 7.777 ( -25.154 0.000 37.198) 44.905 8.193 ( -2.475 0.000 12.879) 13.115 8.493 ( -12.664 0.000 -12.137) 17.541 9.190 ( -4.427 0.000 4.899) 6.603 9.581 ( -12.567 0.000 -8.885) 15.391 10.521 ( -1.689 0.000 -8.042) 8.218 11.350 ( 19.394 -0.000 10.629) 22.115 12.164 ( 15.126 -0.000 -6.788) 16.580 12.697 ( 5.509 -0.000 0.788) 5.565 12.966 ( 5.273 -0.000 7.151) 8.885 13.216 ( -8.207 0.000 12.533) 14.980 13.739 ( -4.535 0.000 -11.853) 12.690 13.903 ( 8.342 -0.000 5.492) 9.988 14.845 ( 10.147 -0.000 -1.531) 10.261 17.103 ( -12.966 0.000 -24.474) 27.696 19.033 ( 3.762 -0.000 5.096) 6.334 19.327 ( 14.089 -0.000 -2.609) 14.328 19.706 ( 6.595 -0.000 6.728) 9.422 21.253 ( 5.324 -0.000 -18.196) 18.959 22.300 ( -12.495 0.000 11.966) 17.301 24.128 ( 8.678 -0.000 0.801) 8.715 24.485 ( -0.962 0.000 3.759) 3.880 ======================= Grid point 288 (134/432) ======================= q-point: (-0.64 0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( -8.926 6.786 -5.690) 12.574 2.398 ( -8.911 2.688 -5.870) 11.005 3.008 ( -6.769 -0.665 0.043) 6.802 3.123 ( -8.999 -7.041 -1.547) 11.530 3.230 ( -8.253 1.824 7.041) 11.000 3.652 ( 7.560 -0.556 2.631) 8.024 4.223 ( -6.519 9.025 1.852) 11.286 4.303 ( -3.054 0.006 -7.174) 7.797 4.399 ( 0.841 -0.627 -5.961) 6.053 4.597 ( 1.168 -12.831 2.974) 13.222 5.007 ( -5.333 -0.472 -2.881) 6.080 5.883 ( -9.050 0.805 0.008) 9.085 6.115 ( 0.510 3.442 0.348) 3.497 6.837 ( -26.782 -3.960 11.718) 29.500 7.838 ( -22.001 -1.304 27.641) 35.352 8.204 ( -5.554 2.708 -9.745) 11.539 8.350 ( -2.962 -7.161 10.270) 12.865 9.178 ( -5.742 0.056 4.091) 7.051 9.366 ( -10.260 -5.419 -5.876) 13.007 10.382 ( -1.167 4.759 -7.787) 9.201 11.679 ( 14.566 0.308 7.373) 16.329 12.222 ( 12.118 14.448 -3.781) 19.233 12.719 ( 1.066 7.878 0.610) 7.973 13.093 ( 0.268 -8.109 2.940) 8.629 13.188 ( -11.493 1.040 7.522) 13.775 13.568 ( -3.787 -3.722 -9.202) 10.624 14.189 ( 16.895 -0.423 11.472) 20.426 14.986 ( 13.644 -5.595 -5.666) 15.798 16.690 ( -11.698 0.414 -18.673) 22.038 19.163 ( 9.425 -0.681 0.677) 9.474 19.500 ( 12.045 0.842 3.898) 12.688 19.919 ( 13.826 -0.008 6.560) 15.304 21.084 ( 2.468 2.323 -18.846) 19.148 22.232 ( -19.484 -5.271 9.324) 22.234 24.240 ( 7.029 0.736 0.858) 7.119 24.513 ( -0.991 0.778 4.311) 4.491 ======================= Grid point 289 (135/432) ======================= q-point: (-0.55 0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -8.991 11.952 -1.071) 14.995 2.152 ( -10.657 10.647 -3.772) 15.529 2.990 ( -6.947 -8.091 4.698) 11.653 3.070 ( -7.418 -10.826 -0.485) 13.133 3.156 ( -10.499 0.813 3.828) 11.205 3.671 ( 1.004 15.582 -0.467) 15.621 4.070 ( -4.409 -1.138 -0.371) 4.568 4.196 ( -4.388 -2.227 -3.810) 6.223 4.478 ( 5.226 -3.198 1.693) 6.356 4.747 ( 0.137 -10.660 3.062) 11.092 4.921 ( -2.300 -3.142 -3.713) 5.381 5.794 ( -7.357 1.073 4.977) 8.947 6.088 ( 1.626 4.435 -1.335) 4.909 6.617 ( -34.204 -7.261 13.007) 37.307 7.838 ( -19.179 -0.517 18.282) 26.501 8.037 ( -0.311 -1.457 -9.997) 10.108 8.514 ( -1.897 -8.113 11.448) 14.159 9.124 ( -6.955 0.222 2.179) 7.292 9.275 ( -7.989 -11.467 -2.678) 14.230 10.266 ( 1.416 5.235 -4.718) 7.188 11.882 ( 9.398 5.019 4.250) 11.470 12.167 ( 9.006 24.327 -1.564) 25.988 12.621 ( -4.484 7.191 -0.919) 8.524 13.032 ( -13.844 6.806 7.867) 17.317 13.226 ( 6.761 -5.913 -4.706) 10.140 13.528 ( -2.493 -12.881 -3.159) 13.495 14.520 ( 14.444 1.898 8.092) 16.665 15.161 ( 14.532 -11.585 -9.371) 20.814 16.404 ( -8.011 0.768 -5.690) 9.857 19.282 ( 13.054 -0.138 -6.768) 14.705 19.710 ( 9.408 1.029 8.337) 12.612 20.193 ( 16.812 2.884 6.941) 18.415 20.868 ( 1.205 2.087 -19.390) 19.539 22.089 ( -25.632 -9.699 7.232) 28.344 24.308 ( 4.540 2.622 -0.048) 5.243 24.551 ( -0.816 -0.665 4.581) 4.700 ======================= Grid point 290 (136/432) ======================= q-point: (-0.45 0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -8.758 17.810 6.239) 20.804 1.898 ( -7.577 16.030 2.095) 17.853 2.965 ( -13.224 -0.226 -0.239) 13.228 3.002 ( -7.934 -7.996 0.976) 11.306 3.204 ( -1.502 -11.586 9.315) 14.941 3.532 ( 1.033 17.682 3.005) 17.965 3.973 ( -4.167 1.091 -7.107) 8.310 4.206 ( -2.016 -7.315 1.948) 7.834 4.581 ( 2.011 -3.906 1.849) 4.767 4.852 ( -0.576 -12.005 2.497) 12.276 4.950 ( 3.484 -3.325 1.079) 4.935 5.784 ( -5.682 -0.234 8.968) 10.619 6.060 ( 0.615 3.528 -0.363) 3.600 6.386 ( -33.733 -9.385 14.471) 37.887 7.745 ( -17.265 2.331 10.429) 20.304 8.007 ( 3.902 -5.400 -6.186) 9.092 8.685 ( -2.368 -10.132 10.247) 14.604 9.054 ( -5.327 -0.097 -0.535) 5.355 9.260 ( -8.133 -14.531 -0.492) 16.660 10.231 ( 3.598 3.533 -1.413) 5.237 11.914 ( 4.488 18.959 -2.303) 19.618 12.031 ( 5.789 24.494 2.614) 25.304 12.514 ( -4.748 -0.297 -0.979) 4.857 12.883 ( -10.234 10.323 7.148) 16.198 13.310 ( 7.990 -1.571 -2.199) 8.435 13.595 ( -1.257 -15.667 -4.755) 16.421 14.651 ( 6.838 5.710 -5.413) 10.424 15.337 ( 11.791 -15.152 -11.090) 22.172 16.411 ( 0.836 -3.247 16.198) 16.541 19.356 ( 14.169 -0.377 -12.237) 18.726 19.871 ( 5.075 2.783 3.898) 6.978 20.390 ( 5.238 8.839 3.025) 10.711 20.718 ( 11.569 -1.424 -13.579) 17.896 21.905 ( -28.333 -12.579 7.683) 31.938 24.320 ( 2.959 3.795 -1.126) 4.942 24.589 ( -2.479 -2.148 2.599) 4.185 ======================= Grid point 291 (137/432) ======================= q-point: (-0.36 0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -4.506 17.838 10.258) 21.064 1.761 ( -1.037 20.617 10.792) 23.294 2.786 ( -9.225 8.756 5.475) 13.847 3.000 ( -5.732 -8.154 1.459) 10.073 3.374 ( 1.340 -6.184 3.737) 7.348 3.519 ( 0.440 3.914 10.798) 11.494 3.822 ( -5.710 0.529 -5.970) 8.278 4.265 ( 1.588 -5.973 -0.825) 6.235 4.623 ( -1.205 -5.036 -1.506) 5.393 4.979 ( 1.423 -4.975 2.939) 5.951 5.103 ( 6.471 -9.369 6.695) 13.209 5.847 ( -4.349 -2.164 11.911) 12.863 6.038 ( -4.863 0.697 5.123) 7.098 6.237 ( -25.435 -8.844 15.011) 30.829 7.613 ( -14.892 3.309 8.693) 17.558 8.048 ( 2.713 -7.032 -5.289) 9.208 8.850 ( -2.262 -11.111 8.117) 13.944 8.964 ( -3.874 -1.132 -5.058) 6.471 9.320 ( -3.729 -15.860 3.882) 16.748 10.247 ( 3.220 4.111 0.903) 5.300 11.633 ( 0.934 35.824 -6.102) 36.352 12.016 ( 4.081 10.870 4.948) 12.621 12.459 ( -4.010 -1.790 -1.655) 4.693 12.755 ( -6.317 13.124 6.593) 15.988 13.414 ( 9.184 0.929 -1.073) 9.293 13.608 ( -2.004 -10.022 -8.379) 13.216 14.524 ( -0.601 8.101 -10.076) 12.943 15.450 ( 6.501 -15.850 -14.008) 22.129 16.844 ( 10.542 -14.074 31.664) 36.219 19.376 ( 11.553 -2.461 -17.371) 21.006 19.861 ( 0.430 6.257 -4.373) 7.646 20.254 ( -6.198 4.092 -8.141) 11.020 20.889 ( 17.586 3.531 2.780) 18.151 21.756 ( -23.454 -11.843 9.004) 27.775 24.309 ( 2.553 3.252 -1.651) 4.452 24.549 ( -6.584 -0.405 -2.106) 6.924 ======================= Grid point 292 (138/432) ======================= q-point: (-0.27 0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 3.435 16.419 9.962) 19.509 1.765 ( 4.388 18.250 15.548) 24.373 2.755 ( -0.759 9.817 15.291) 18.188 3.018 ( -2.241 -4.808 1.467) 5.504 3.444 ( 2.430 -0.123 2.303) 3.350 3.663 ( -2.815 -5.662 11.610) 13.221 3.697 ( -5.064 -4.133 -5.641) 8.634 4.326 ( 5.355 -1.842 -2.793) 6.314 4.612 ( -1.461 -4.308 -3.591) 5.795 5.063 ( 2.280 -0.693 3.814) 4.497 5.352 ( 5.230 -10.731 5.570) 13.173 5.959 ( -2.736 -3.294 9.492) 10.414 6.069 ( -4.319 -1.093 14.068) 14.757 6.211 ( -20.727 -10.320 20.983) 31.247 7.498 ( -13.778 2.365 7.992) 16.102 8.040 ( -2.272 -4.018 -5.831) 7.437 8.876 ( 1.901 0.981 -4.769) 5.226 9.006 ( -4.221 -17.413 4.613) 18.502 9.527 ( 4.124 -16.917 6.927) 18.740 10.254 ( 1.634 9.288 4.727) 10.549 11.263 ( -0.344 35.829 -5.693) 36.280 12.036 ( 3.167 7.884 3.036) 9.023 12.373 ( -5.968 -0.655 -4.594) 7.560 12.632 ( -2.476 15.506 2.750) 15.942 13.416 ( 5.408 3.420 -13.805) 15.216 13.621 ( 2.362 0.263 6.544) 6.962 14.347 ( -4.423 4.106 -5.091) 7.896 15.449 ( 0.877 -14.587 -17.323) 22.664 17.542 ( 13.199 -24.225 31.076) 41.555 19.276 ( -0.335 -5.073 -19.954) 20.592 19.740 ( 4.774 7.130 -11.069) 14.005 20.050 ( -8.668 -0.204 -5.974) 10.530 21.092 ( 7.718 6.264 9.047) 13.441 21.705 ( -8.425 -6.307 6.334) 12.284 24.300 ( 2.136 2.050 -1.887) 3.511 24.373 ( -9.652 4.573 -5.536) 12.030 ======================= Grid point 293 (139/432) ======================= q-point: (-0.18 0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 7.244 16.830 11.231) 21.491 1.929 ( 10.862 10.613 16.065) 22.107 2.914 ( 5.663 2.361 12.623) 14.035 3.063 ( 0.640 -0.400 5.319) 5.373 3.512 ( 0.958 -1.446 5.181) 5.464 3.612 ( -5.716 -5.247 -3.267) 8.419 3.776 ( -1.622 -7.021 2.679) 7.688 4.356 ( 6.582 3.759 -4.861) 9.005 4.608 ( 1.254 -2.865 -0.472) 3.163 5.109 ( -0.555 2.143 1.963) 2.958 5.509 ( 0.699 -7.175 1.872) 7.448 5.987 ( -3.805 -0.301 2.162) 4.386 6.304 ( 1.099 -5.031 24.511) 25.046 6.367 ( -15.751 -14.837 29.439) 36.536 7.364 ( -14.264 1.616 2.601) 14.589 7.947 ( -5.292 2.140 -0.258) 5.714 8.905 ( 5.275 -5.992 -2.688) 8.423 9.154 ( -0.844 -17.241 2.294) 17.413 9.820 ( 5.398 -16.216 6.276) 18.207 10.246 ( 0.220 15.487 10.173) 18.531 10.924 ( 0.412 30.193 -3.936) 30.451 12.007 ( 2.593 10.959 -1.592) 11.374 12.211 ( -7.535 -0.826 -8.106) 11.098 12.509 ( 2.866 12.462 -2.530) 13.035 13.311 ( 3.389 6.860 -4.959) 9.118 13.746 ( 5.136 4.504 8.922) 11.237 14.219 ( -6.419 -0.362 -2.754) 6.995 15.335 ( -3.868 -12.134 -18.778) 22.689 18.192 ( 9.302 -23.439 18.975) 31.559 19.036 ( -8.752 -4.471 -16.711) 19.387 19.597 ( 0.780 1.641 -15.387) 15.494 19.931 ( -5.514 -1.064 -0.162) 5.618 21.173 ( -1.652 4.312 7.494) 8.803 21.789 ( 8.743 1.770 4.030) 9.789 24.120 ( -8.337 8.456 -4.899) 12.845 24.308 ( 2.197 0.273 -1.338) 2.587 ======================= Grid point 294 (140/432) ======================= q-point: (-0.09 0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 8.515 10.550 13.944) 19.449 2.194 ( 13.713 9.954 16.082) 23.361 3.055 ( 5.495 -5.697 -3.284) 8.569 3.170 ( -1.962 -1.293 10.802) 11.055 3.548 ( -1.468 -11.007 -10.589) 15.344 3.624 ( 0.846 1.177 9.044) 9.159 3.814 ( 2.154 -0.255 1.451) 2.610 4.326 ( 6.189 8.083 -6.282) 11.963 4.696 ( 3.356 -2.445 5.803) 7.135 5.052 ( -4.446 5.726 0.646) 7.278 5.541 ( -3.303 -4.783 -1.681) 6.051 5.950 ( -7.022 -1.175 3.859) 8.098 6.633 ( -4.906 -12.928 17.999) 22.697 6.685 ( -4.009 -5.521 35.324) 35.977 7.154 ( -13.955 2.935 -1.215) 14.312 7.909 ( -5.964 3.228 10.946) 12.877 9.011 ( 2.496 -10.965 -2.964) 11.630 9.348 ( 6.414 -16.019 2.664) 17.460 9.987 ( -4.543 -2.453 2.132) 5.585 10.232 ( -0.467 13.710 11.798) 18.094 10.727 ( 5.418 16.388 -1.339) 17.312 11.915 ( 2.690 11.023 -2.569) 11.634 12.055 ( -0.081 -2.044 -9.911) 10.120 12.457 ( 6.493 5.747 -4.489) 9.764 13.272 ( 1.536 9.099 2.952) 9.689 13.864 ( 4.772 5.393 7.206) 10.187 14.116 ( -6.647 -1.795 -1.700) 7.092 15.146 ( -6.679 -8.833 -17.141) 20.407 18.552 ( -0.302 -13.409 2.400) 13.625 18.799 ( -0.865 -2.281 -13.550) 13.768 19.407 ( -6.687 -1.891 -10.335) 12.454 19.861 ( -10.553 0.087 3.611) 11.154 21.200 ( 3.432 -1.907 -1.260) 4.123 21.959 ( 13.065 7.582 6.154) 16.311 23.935 ( -3.007 7.394 -2.157) 8.268 24.329 ( 1.880 -1.273 -0.604) 2.349 ======================= Grid point 299 (141/432) ======================= q-point: ( 0.36 -0.64 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -7.358 0.000 -0.835) 7.405 2.255 ( -7.430 0.000 -4.134) 8.503 2.935 ( -7.133 0.000 3.928) 8.144 2.942 ( -10.891 0.000 0.423) 10.900 3.167 ( -10.472 0.000 3.637) 11.086 3.796 ( 8.192 -0.000 -0.017) 8.192 4.071 ( -4.908 0.000 -8.873) 10.140 4.191 ( -8.397 0.000 -0.174) 8.399 4.450 ( 5.067 -0.000 3.007) 5.892 4.636 ( -0.141 0.000 6.442) 6.444 4.894 ( -2.958 0.000 -4.273) 5.197 5.803 ( -7.749 0.000 4.574) 8.998 6.132 ( 1.552 -0.000 -1.949) 2.491 6.547 ( -34.584 0.000 12.835) 36.889 7.834 ( -17.165 0.000 18.245) 25.051 8.031 ( -2.516 0.000 -9.685) 10.006 8.437 ( -1.983 0.000 12.196) 12.356 9.144 ( -6.004 0.000 2.845) 6.644 9.163 ( -8.464 0.000 -3.127) 9.024 10.311 ( 0.333 -0.000 -6.059) 6.069 11.927 ( 10.698 -0.000 6.064) 12.297 12.341 ( 4.272 -0.000 -3.775) 5.700 12.834 ( 6.035 -0.000 0.251) 6.040 13.018 ( -5.570 0.000 0.065) 5.570 13.129 ( -10.771 0.000 7.797) 13.297 13.420 ( -0.449 0.000 -7.530) 7.543 14.538 ( 14.898 -0.000 9.868) 17.870 15.056 ( 14.699 -0.000 -10.720) 18.193 16.411 ( -8.047 0.000 -6.481) 10.332 19.281 ( 14.046 -0.000 -7.591) 15.966 19.719 ( 9.336 -0.000 8.555) 12.663 20.216 ( 18.751 -0.000 7.180) 20.079 20.889 ( 0.058 -0.000 -19.847) 19.847 22.006 ( -25.418 0.000 7.434) 26.483 24.331 ( 4.325 -0.000 1.163) 4.478 24.544 ( -1.235 0.000 3.249) 3.476 ======================= Grid point 301 (142/432) ======================= q-point: (-0.55 0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -5.198 10.114 5.906) 12.814 2.108 ( -4.720 7.080 1.471) 8.635 2.846 ( -9.292 -5.147 2.293) 10.867 2.903 ( -9.417 -7.121 1.254) 11.873 3.109 ( -4.338 -0.849 7.020) 8.296 3.747 ( 1.078 5.678 -10.459) 11.950 4.033 ( 0.874 5.109 1.542) 5.408 4.122 ( -2.860 -2.437 2.386) 4.451 4.538 ( 1.073 -0.891 3.362) 3.640 4.657 ( -6.095 -8.932 1.948) 10.987 4.913 ( 4.723 -1.124 3.557) 6.019 5.778 ( -6.880 -0.257 7.964) 10.527 6.117 ( 0.386 3.037 -1.342) 3.342 6.260 ( -32.751 -5.212 13.573) 35.833 7.785 ( -14.538 1.737 10.658) 18.110 7.945 ( 2.543 -1.820 -6.597) 7.301 8.545 ( -5.200 -5.091 11.017) 13.204 9.063 ( -5.393 -0.723 1.624) 5.679 9.100 ( -5.407 -3.469 -0.467) 6.441 10.273 ( 2.703 1.335 -2.813) 4.124 12.080 ( 6.221 5.269 4.423) 9.275 12.316 ( 1.491 2.230 -3.408) 4.338 12.710 ( -1.395 25.501 -1.925) 25.612 12.997 ( -10.805 1.318 8.533) 13.831 13.172 ( 3.645 -16.940 -3.289) 17.637 13.398 ( 1.969 -4.040 -2.067) 4.947 14.729 ( 6.171 3.182 -0.381) 6.953 15.134 ( 13.572 -7.521 -14.112) 20.974 16.378 ( -0.422 -0.876 11.634) 11.675 19.350 ( 14.744 -0.264 -14.306) 20.546 19.903 ( 5.298 0.996 5.741) 7.875 20.498 ( 6.858 3.579 1.151) 7.821 20.702 ( 11.693 -0.512 -13.395) 17.788 21.760 ( -27.060 -4.509 8.534) 28.730 24.372 ( 1.770 1.941 0.317) 2.646 24.555 ( -2.168 -1.415 1.480) 2.982 ======================= Grid point 302 (143/432) ======================= q-point: (-0.45 0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -4.505 13.064 4.708) 14.599 2.093 ( 1.746 17.797 12.531) 21.836 2.795 ( -8.359 -5.338 1.377) 10.013 2.878 ( -4.321 -7.225 2.508) 8.784 3.220 ( -0.172 -7.014 8.510) 11.029 3.611 ( 0.929 1.635 -9.098) 9.291 3.945 ( -5.944 13.875 6.123) 16.289 4.187 ( 4.874 -3.173 0.062) 5.816 4.554 ( -3.015 -2.862 0.842) 4.242 4.771 ( -0.475 -15.925 5.137) 16.740 5.048 ( 5.336 -0.091 6.816) 8.657 5.809 ( -5.689 -1.992 10.458) 12.071 6.022 ( -22.343 -2.193 15.333) 27.187 6.153 ( -4.151 -1.920 1.454) 4.799 7.674 ( -13.375 3.381 6.896) 15.423 7.957 ( 4.439 -3.344 -4.868) 7.388 8.631 ( -8.373 -11.059 8.188) 16.107 9.011 ( -3.143 3.087 -0.488) 4.432 9.115 ( -1.109 -8.341 4.061) 9.343 10.297 ( 4.505 1.946 0.849) 4.981 12.095 ( 3.045 13.404 0.870) 13.773 12.248 ( 2.583 14.631 -4.651) 15.569 12.462 ( -6.395 9.379 -1.426) 11.441 12.933 ( -8.178 7.489 9.788) 14.790 13.311 ( 3.556 -16.820 -8.562) 19.206 13.480 ( 5.553 -1.204 4.279) 7.113 14.651 ( -1.685 6.717 -8.627) 11.062 15.203 ( 9.095 -12.626 -16.208) 22.468 16.677 ( 7.624 -6.173 26.273) 28.045 19.339 ( 11.108 -1.697 -20.015) 22.953 19.942 ( -0.496 3.302 -0.928) 3.466 20.300 ( -7.227 1.598 -15.396) 17.083 20.958 ( 21.579 4.062 5.721) 22.692 21.601 ( -20.051 -6.675 11.001) 23.825 24.361 ( 0.649 2.759 -0.902) 2.975 24.528 ( -4.725 -1.673 -1.454) 5.219 ======================= Grid point 303 (144/432) ======================= q-point: (-0.36 0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 3.834 12.500 6.969) 14.816 2.102 ( 3.351 20.977 11.559) 24.184 2.794 ( -2.303 -3.678 4.639) 6.352 2.948 ( -0.397 -4.660 5.694) 7.369 3.351 ( -0.268 -8.251 2.308) 8.572 3.547 ( 0.852 -6.184 -8.057) 10.192 3.833 ( -6.852 15.748 12.912) 21.486 4.297 ( 8.780 -1.579 -0.487) 8.934 4.545 ( -2.750 -3.258 0.116) 4.265 4.963 ( 0.324 -13.300 5.483) 14.389 5.210 ( 4.934 -3.293 7.396) 9.481 5.892 ( -5.679 -3.843 12.653) 14.392 6.008 ( -15.418 -5.276 21.890) 27.290 6.140 ( -2.438 -0.230 2.190) 3.286 7.542 ( -13.537 2.535 5.444) 14.809 7.980 ( 2.958 -1.897 -4.367) 5.606 8.694 ( -9.014 -15.868 3.132) 18.516 8.949 ( -0.898 3.578 0.793) 3.774 9.292 ( 5.122 -10.845 7.581) 14.188 10.369 ( 5.075 4.698 5.210) 8.658 11.868 ( 0.737 34.848 -6.990) 35.549 12.139 ( 0.154 5.516 -0.365) 5.530 12.346 ( -6.788 -2.262 -3.592) 8.006 12.874 ( -4.525 11.970 8.232) 15.215 13.338 ( 0.892 -11.834 -11.755) 16.703 13.649 ( 8.661 2.786 8.961) 12.771 14.440 ( -6.214 6.357 -7.750) 11.794 15.203 ( 3.582 -14.094 -18.676) 23.670 17.222 ( 11.314 -13.929 30.761) 35.612 19.203 ( 1.540 -3.526 -22.601) 22.926 19.846 ( 0.374 5.471 -9.313) 10.808 20.032 ( -9.266 -1.718 -9.990) 13.734 21.219 ( 9.743 8.337 10.380) 16.498 21.608 ( -2.054 -5.622 7.777) 9.814 24.333 ( 0.509 1.908 -1.761) 2.646 24.416 ( -7.478 0.942 -4.542) 8.800 ======================= Grid point 304 (145/432) ======================= q-point: (-0.27 0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 12.845 14.952 6.358) 20.712 2.121 ( 5.288 14.026 12.124) 19.279 2.877 ( 2.699 -4.421 2.113) 5.594 3.053 ( -1.856 -2.701 8.702) 9.298 3.393 ( -0.795 -8.617 -5.726) 10.376 3.547 ( 0.006 -7.704 -3.094) 8.302 3.815 ( -1.426 12.566 14.470) 19.217 4.408 ( 8.396 2.311 -0.627) 8.731 4.557 ( 0.080 -3.036 1.707) 3.484 5.099 ( -0.724 -5.140 4.571) 6.917 5.371 ( 1.645 -7.310 3.796) 8.400 5.972 ( -3.189 -1.712 4.065) 5.443 6.176 ( -12.514 -7.755 25.460) 29.410 6.215 ( 0.501 -5.124 18.698) 19.394 7.390 ( -14.040 1.418 2.271) 14.293 7.965 ( -0.176 1.127 -1.406) 1.811 8.738 ( -4.957 -15.399 -1.312) 16.230 8.974 ( 1.462 -2.739 3.818) 4.921 9.572 ( 7.516 -12.628 8.141) 16.799 10.458 ( 3.803 9.752 10.057) 14.516 11.484 ( -0.623 34.944 -7.401) 35.725 12.085 ( -6.075 1.096 -0.128) 6.175 12.206 ( -2.509 0.009 -10.081) 10.389 12.779 ( -0.670 16.727 2.174) 16.881 13.313 ( 1.169 -6.570 -6.992) 9.666 13.838 ( 8.307 5.991 10.381) 14.584 14.237 ( -8.515 2.363 -4.055) 9.723 15.115 ( -1.292 -13.581 -19.682) 23.948 17.836 ( 10.078 -18.075 26.307) 33.471 18.967 ( -4.763 -3.591 -18.555) 19.491 19.621 ( -4.029 1.087 -18.910) 19.365 19.916 ( -3.741 -0.524 0.052) 3.778 21.287 ( -2.045 8.265 7.057) 11.059 21.804 ( 13.715 -0.044 6.376) 15.125 24.227 ( -7.247 4.412 -5.855) 10.309 24.312 ( 0.212 0.214 -1.741) 1.767 ======================= Grid point 305 (146/432) ======================= q-point: (-0.18 0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 8.835 16.047 6.805) 19.542 2.336 ( 15.249 6.840 13.345) 21.386 2.964 ( 4.018 -4.783 -1.967) 6.549 3.111 ( -8.275 -5.640 6.903) 12.163 3.362 ( -2.430 -9.858 -8.707) 13.376 3.599 ( 4.136 -4.760 -3.610) 7.266 3.905 ( 6.085 10.392 13.474) 18.071 4.449 ( 5.031 6.477 -1.125) 8.279 4.649 ( 3.569 -3.061 5.307) 7.090 5.124 ( -3.444 1.920 2.566) 4.704 5.436 ( -3.561 -7.039 -0.979) 7.949 5.934 ( -6.059 -0.671 1.041) 6.184 6.423 ( -4.847 -11.177 22.538) 25.620 6.575 ( -0.470 -7.565 31.073) 31.984 7.198 ( -13.560 2.357 -0.194) 13.765 7.952 ( -2.046 2.248 5.452) 6.242 8.800 ( -2.215 -14.777 -2.526) 15.154 9.117 ( 5.462 -9.997 4.197) 12.140 9.841 ( 4.925 -10.502 5.701) 12.925 10.498 ( -2.285 15.080 11.680) 19.211 11.136 ( 1.531 29.430 -5.312) 29.945 11.914 ( -14.415 -4.305 -5.952) 16.179 12.123 ( 8.641 4.699 -8.558) 13.038 12.654 ( 4.044 15.872 -2.224) 16.529 13.329 ( 1.049 -2.671 -0.340) 2.889 13.963 ( 1.222 5.686 4.803) 7.543 14.109 ( -3.777 1.424 2.401) 4.697 14.971 ( -4.032 -11.687 -17.396) 21.342 18.312 ( 3.749 -14.344 13.692) 20.181 18.762 ( -0.956 -2.109 -13.047) 13.251 19.358 ( -6.765 -3.446 -15.166) 16.960 19.874 ( -5.839 1.244 2.373) 6.425 21.238 ( 0.608 5.645 -1.851) 5.972 22.062 ( 14.714 4.738 8.476) 17.630 24.046 ( -3.850 5.596 -4.569) 8.186 24.304 ( 0.160 -1.668 -1.357) 2.156 ======================= Grid point 306 (147/432) ======================= q-point: (-0.09 0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 6.551 7.787 7.790) 12.816 2.633 ( 15.156 8.832 13.552) 22.167 3.004 ( 0.764 -5.897 -4.559) 7.493 3.103 ( -10.674 -7.891 4.548) 14.031 3.320 ( -1.861 -9.633 -7.901) 12.597 3.633 ( 9.111 -0.887 -8.988) 12.829 4.079 ( 9.828 8.043 9.470) 15.842 4.412 ( 2.725 9.190 -2.417) 9.886 4.794 ( 2.592 -2.462 7.458) 8.270 5.056 ( -5.386 5.615 3.067) 8.364 5.376 ( -8.400 -6.480 -5.572) 11.984 5.884 ( -7.224 -2.449 3.994) 8.611 6.642 ( -6.066 -6.634 7.799) 11.901 6.880 ( -4.525 -4.933 10.978) 12.858 7.138 ( -9.931 0.680 32.318) 33.816 8.012 ( -1.077 2.003 11.673) 11.892 8.846 ( -4.574 -13.669 -3.172) 14.759 9.386 ( 10.882 -16.333 4.678) 20.176 9.932 ( -5.119 3.021 0.479) 5.963 10.393 ( -7.856 12.845 6.049) 16.227 10.973 ( 9.096 18.113 0.409) 20.272 11.689 ( -12.834 -7.468 -9.909) 17.851 12.173 ( 14.617 3.650 -2.951) 15.352 12.594 ( 7.855 10.844 -2.038) 13.544 13.359 ( -0.242 1.197 2.854) 3.104 13.884 ( -8.130 -1.812 -1.726) 8.506 14.153 ( 3.676 7.059 5.236) 9.527 14.839 ( -3.357 -7.538 -10.631) 13.458 18.348 ( -9.125 -2.791 -10.884) 14.475 18.776 ( 11.699 -4.179 -5.745) 13.687 19.198 ( -5.571 -4.761 -3.866) 8.285 19.775 ( -12.358 3.763 5.462) 14.025 21.199 ( 6.811 -0.581 -9.164) 11.432 22.283 ( 10.547 8.587 10.548) 17.211 23.944 ( 1.235 4.300 -2.882) 5.322 24.315 ( -0.202 -3.422 -0.275) 3.439 ======================= Grid point 312 (148/432) ======================= q-point: ( 0.45 -0.55 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -4.142 0.000 1.826) 4.527 2.275 ( 3.066 -0.000 15.638) 15.936 2.748 ( -8.337 0.000 0.478) 8.350 2.763 ( -4.789 0.000 3.024) 5.664 3.168 ( -0.323 0.000 8.128) 8.134 3.614 ( -0.627 0.000 -13.325) 13.340 4.117 ( -2.289 0.000 7.362) 7.710 4.160 ( 5.981 -0.000 -0.214) 5.985 4.546 ( -6.308 0.000 6.024) 8.722 4.573 ( -0.886 0.000 1.646) 1.869 5.051 ( 5.463 -0.000 7.704) 9.445 5.790 ( -5.806 0.000 9.553) 11.179 5.998 ( -28.176 0.000 18.159) 33.520 6.141 ( 2.696 -0.000 -2.284) 3.534 7.705 ( -13.234 0.000 5.643) 14.387 7.933 ( 5.934 -0.000 -4.077) 7.200 8.530 ( -10.343 0.000 8.566) 13.429 9.039 ( -3.794 0.000 0.785) 3.874 9.045 ( 0.016 -0.000 4.129) 4.130 10.314 ( 4.828 -0.000 0.673) 4.875 12.216 ( 2.089 -0.000 4.718) 5.160 12.274 ( 0.419 -0.000 -4.456) 4.476 12.764 ( -6.430 0.000 -8.974) 11.040 12.976 ( 1.291 -0.000 -0.029) 1.291 13.050 ( -7.212 0.000 7.054) 10.088 13.478 ( 9.211 -0.000 3.858) 9.986 14.720 ( -3.756 0.000 -5.669) 6.800 15.080 ( 11.704 -0.000 -18.893) 22.225 16.627 ( 6.857 -0.000 24.239) 25.190 19.325 ( 11.102 -0.000 -20.970) 23.727 19.970 ( -1.001 0.000 0.513) 1.124 20.313 ( -7.387 0.000 -18.051) 19.504 20.998 ( 24.107 -0.000 6.038) 24.851 21.541 ( -20.227 0.000 12.376) 23.712 24.389 ( -0.459 0.000 -0.314) 0.556 24.509 ( -3.682 0.000 -1.662) 4.040 ======================= Grid point 314 (149/432) ======================= q-point: (-0.45 0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 1.994 5.570 3.788) 7.025 2.432 ( 3.802 16.554 13.104) 21.453 2.713 ( -2.608 -4.409 4.340) 6.714 2.816 ( 0.171 -9.796 3.450) 10.387 3.251 ( -0.855 -2.922 4.488) 5.423 3.473 ( -0.525 -2.368 -11.332) 11.589 4.111 ( -1.579 14.866 7.937) 16.926 4.262 ( 7.213 -3.588 2.466) 8.425 4.525 ( -2.577 2.007 1.751) 3.707 4.694 ( -1.286 -15.155 8.735) 17.539 5.202 ( 4.209 0.483 7.608) 8.708 5.848 ( -3.700 -1.287 10.668) 11.365 5.935 ( -17.286 -2.657 22.321) 28.357 6.144 ( 0.422 0.291 -0.749) 0.908 7.571 ( -13.411 0.816 2.757) 13.715 7.986 ( 7.464 1.592 -2.509) 8.034 8.481 ( -13.133 -7.885 5.374) 16.233 9.001 ( -2.718 1.997 1.503) 3.692 9.167 ( 5.366 -4.009 7.726) 10.226 10.419 ( 6.972 1.420 5.184) 8.804 12.202 ( -0.235 5.130 -0.753) 5.190 12.270 ( -1.527 -1.561 -1.649) 2.737 12.440 ( -4.389 22.060 -13.454) 26.209 12.998 ( -5.154 -0.455 8.225) 9.717 13.090 ( -2.511 -11.917 -2.648) 12.463 13.687 ( 10.996 1.269 9.097) 14.327 14.535 ( -9.103 4.036 -7.244) 12.314 15.012 ( 7.046 -7.216 -21.086) 23.373 17.070 ( 10.571 -4.440 29.294) 31.458 19.162 ( 2.536 -1.289 -23.957) 24.126 19.921 ( -2.134 3.120 -4.281) 5.711 19.999 ( -8.778 -1.899 -16.155) 18.483 21.353 ( 15.756 6.765 9.668) 19.684 21.512 ( -4.463 -5.418 10.234) 12.410 24.360 ( -1.354 1.066 -1.407) 2.224 24.418 ( -5.364 -0.292 -4.383) 6.933 ======================= Grid point 315 (150/432) ======================= q-point: (-0.36 0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 12.228 5.993 6.162) 14.947 2.420 ( 3.087 19.509 6.543) 20.808 2.805 ( 2.845 -3.628 3.424) 5.743 2.955 ( -2.517 -9.202 6.020) 11.281 3.276 ( -2.383 -4.801 -2.679) 5.992 3.413 ( 2.347 -6.914 -6.578) 9.828 4.075 ( 1.555 16.457 10.184) 19.416 4.428 ( 7.289 -0.336 5.037) 8.867 4.513 ( -0.022 -2.136 0.475) 2.189 4.915 ( -1.542 -14.098 9.770) 17.222 5.315 ( 1.653 -0.402 5.226) 5.496 5.938 ( -1.733 -1.668 7.096) 7.493 6.080 ( -8.690 -4.478 25.724) 27.519 6.155 ( -1.307 -1.749 7.500) 7.811 7.408 ( -13.507 0.664 1.003) 13.561 8.016 ( 3.652 5.329 -0.467) 6.477 8.468 ( -9.503 -15.159 2.487) 18.063 8.978 ( -1.212 1.515 2.440) 3.118 9.407 ( 8.428 -6.928 9.431) 14.421 10.577 ( 7.143 4.611 9.775) 12.955 12.011 ( -7.734 17.794 -14.624) 24.296 12.132 ( -4.844 13.541 1.372) 14.447 12.204 ( 2.575 -0.234 -8.909) 9.276 13.011 ( -3.498 10.040 8.349) 13.518 13.116 ( -1.564 -15.814 -5.800) 16.917 13.925 ( 9.956 3.894 11.572) 15.755 14.289 ( -11.337 3.346 -5.764) 13.150 14.904 ( 1.751 -10.645 -21.469) 24.027 17.604 ( 10.828 -9.343 28.406) 31.803 18.919 ( -2.323 -2.072 -19.591) 19.837 19.633 ( -8.216 0.386 -20.535) 22.121 19.913 ( -1.133 0.027 -0.362) 1.189 21.421 ( -3.149 6.904 6.423) 9.942 21.789 ( 16.997 -1.456 9.286) 19.423 24.276 ( -5.477 1.684 -6.290) 8.509 24.315 ( -1.795 0.135 -1.935) 2.643 ======================= Grid point 316 (151/432) ======================= q-point: (-0.27 0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 10.135 16.569 0.925) 19.445 2.427 ( 12.273 4.672 11.111) 17.202 2.904 ( 4.121 -2.572 0.593) 4.893 2.993 ( -11.001 -7.710 4.419) 14.142 3.234 ( -1.469 -5.278 -5.847) 8.013 3.490 ( 8.254 -7.726 -5.583) 12.609 4.111 ( 5.803 13.191 9.553) 17.290 4.535 ( -1.167 3.102 9.573) 10.130 4.595 ( 8.724 -3.108 -1.526) 9.387 5.073 ( -4.093 -8.079 7.466) 11.737 5.354 ( -2.844 -1.743 0.886) 3.451 5.927 ( -4.687 -0.310 -1.420) 4.907 6.280 ( -2.462 -5.616 19.940) 20.862 6.440 ( 0.135 -8.084 28.776) 29.891 7.232 ( -12.611 1.553 0.563) 12.719 8.000 ( -2.131 3.910 4.339) 6.218 8.535 ( -3.191 -15.776 -0.161) 16.096 9.015 ( 1.779 -2.979 3.104) 4.656 9.687 ( 8.411 -7.382 8.705) 14.178 10.709 ( 1.632 9.784 11.377) 15.094 11.599 ( -4.689 18.951 -15.076) 24.666 11.908 ( -12.320 9.258 -1.754) 15.510 12.173 ( 7.897 1.786 -8.220) 11.538 12.918 ( -0.325 13.590 -0.676) 13.610 13.195 ( -1.325 -12.186 0.897) 12.290 14.037 ( -7.868 3.137 -1.723) 8.644 14.160 ( 3.733 3.867 9.360) 10.794 14.770 ( -1.050 -11.681 -18.329) 21.760 18.099 ( 7.023 -10.401 20.696) 24.204 18.731 ( 0.021 -1.509 -12.560) 12.650 19.306 ( -7.841 -2.493 -18.857) 20.573 19.895 ( -2.142 1.049 0.875) 2.541 21.355 ( -1.201 7.344 -1.893) 7.679 22.120 ( 15.384 2.239 11.545) 19.364 24.120 ( -3.489 3.247 -6.258) 7.866 24.275 ( -1.767 -1.615 -2.043) 3.147 ======================= Grid point 317 (152/432) ======================= q-point: (-0.18 0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 2.001 9.775 0.183) 9.979 2.747 ( 17.264 4.720 11.606) 21.332 2.920 ( -8.938 -5.661 -0.291) 10.584 2.966 ( -2.916 -5.870 1.306) 6.683 3.214 ( 1.139 -3.096 -3.786) 5.022 3.596 ( 12.913 -3.753 -9.027) 16.196 4.208 ( 7.457 7.146 5.548) 11.724 4.557 ( -0.599 7.996 4.420) 9.156 4.738 ( 5.593 -4.510 3.726) 8.094 5.109 ( -6.496 -0.946 5.031) 8.271 5.285 ( -8.145 -2.496 -3.284) 9.130 5.846 ( -7.205 -1.953 1.035) 7.536 6.524 ( -1.511 -6.564 13.787) 15.344 6.778 ( -3.247 -7.236 13.980) 16.073 7.159 ( -8.329 1.646 23.636) 25.115 8.030 ( -2.201 0.135 10.150) 10.387 8.611 ( -2.373 -13.276 -2.559) 13.727 9.159 ( 6.391 -10.354 3.383) 12.629 9.912 ( 4.999 -3.126 5.760) 8.243 10.653 ( -9.784 15.440 6.149) 19.286 11.262 ( -1.654 11.202 -13.252) 17.430 11.662 ( -9.829 8.710 -1.740) 13.247 12.212 ( 12.046 1.315 -4.771) 13.023 12.803 ( 3.251 12.827 -1.935) 13.374 13.281 ( -2.244 -9.579 1.741) 9.991 13.876 ( -8.787 0.624 -1.393) 8.919 14.255 ( 1.036 4.002 3.237) 5.250 14.704 ( 2.125 -7.692 -6.858) 10.522 18.299 ( -4.620 -2.975 -3.311) 6.416 18.711 ( 9.239 -3.238 -4.282) 10.686 19.104 ( -3.824 -5.722 -6.101) 9.197 19.840 ( -7.324 3.439 3.224) 8.710 21.245 ( 3.317 5.277 -9.567) 11.419 22.405 ( 11.172 5.876 13.551) 18.519 24.007 ( 0.557 3.047 -5.229) 6.078 24.254 ( -1.990 -3.748 -1.210) 4.413 ======================= Grid point 318 (153/432) ======================= q-point: (-0.09 -0.55 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -2.460 -0.541 -1.455) 2.909 2.800 ( -14.795 -8.591 1.943) 17.218 2.971 ( -1.587 -1.495 2.217) 3.110 3.087 ( 16.578 4.491 7.450) 18.722 3.211 ( 1.378 -0.107 -2.714) 3.045 3.696 ( 15.798 0.094 -9.279) 18.322 4.250 ( -0.191 3.002 -1.506) 3.364 4.506 ( 1.563 10.268 -0.142) 10.387 4.872 ( 1.426 -4.764 3.842) 6.284 5.064 ( -7.646 -0.010 4.032) 8.643 5.127 ( -9.214 0.914 -3.724) 9.980 5.813 ( -6.138 -4.287 4.073) 8.523 6.499 ( -10.888 -0.345 -5.950) 12.413 6.917 ( -0.090 -5.682 10.997) 12.379 7.472 ( -10.655 0.961 44.713) 45.975 8.170 ( 2.466 -0.570 12.865) 13.112 8.626 ( -5.991 -11.716 -3.521) 13.622 9.425 ( 9.831 -17.531 2.891) 20.307 9.927 ( -6.200 11.293 0.916) 12.916 10.402 ( -10.816 12.540 -0.180) 16.561 11.096 ( 0.347 -7.140 -11.246) 13.326 11.477 ( -2.616 12.283 0.326) 12.563 12.352 ( 13.046 -0.621 -0.941) 13.095 12.769 ( 5.949 8.526 1.720) 10.537 13.326 ( -4.013 -7.930 0.289) 8.893 13.779 ( -3.901 2.018 1.020) 4.509 14.194 ( -4.972 -0.527 -4.618) 6.806 14.795 ( 7.789 0.961 4.275) 8.937 18.040 ( -9.473 1.382 -21.973) 23.968 18.828 ( 9.836 -3.438 -3.372) 10.951 19.160 ( 2.909 -2.968 5.497) 6.891 19.722 ( -11.559 5.442 5.940) 14.090 21.161 ( 7.941 -0.155 -14.145) 16.223 22.605 ( 4.781 10.142 14.698) 18.486 23.970 ( 4.899 1.522 -4.142) 6.593 24.262 ( -2.091 -5.701 0.608) 6.103 ======================= Grid point 325 (154/432) ======================= q-point: (-0.45 0.55 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 10.480 -0.000 5.179) 11.690 2.702 ( 0.074 -0.000 2.963) 2.964 2.742 ( 3.557 -0.000 13.071) 13.546 2.794 ( 1.750 -0.000 -1.315) 2.189 3.238 ( -3.664 0.000 0.754) 3.741 3.349 ( 2.386 -0.000 -9.290) 9.591 4.278 ( 8.584 -0.000 0.174) 8.586 4.392 ( 2.332 -0.000 13.519) 13.719 4.490 ( -2.865 0.000 -1.834) 3.402 4.762 ( -0.298 0.000 14.716) 14.719 5.317 ( 1.274 -0.000 5.463) 5.610 5.925 ( 0.411 -0.000 5.679) 5.694 6.037 ( -8.668 0.000 28.015) 29.325 6.143 ( -1.968 0.000 3.704) 4.194 7.413 ( -13.127 0.000 0.420) 13.134 8.101 ( 10.898 -0.000 -1.638) 11.020 8.300 ( -17.086 0.000 5.388) 17.915 8.995 ( -2.552 0.000 2.082) 3.294 9.347 ( 8.813 -0.000 9.986) 13.319 10.615 ( 8.465 -0.000 9.634) 12.825 12.067 ( -16.843 0.000 -8.324) 18.787 12.202 ( 4.583 -0.000 -8.193) 9.388 12.423 ( 4.889 -0.000 -10.902) 11.948 12.899 ( -5.533 0.000 -0.226) 5.537 13.100 ( -4.243 0.000 9.656) 10.547 13.959 ( 10.344 -0.000 12.267) 16.046 14.324 ( -13.566 0.000 -5.958) 14.816 14.803 ( 4.009 -0.000 -23.065) 23.411 17.525 ( 11.139 -0.000 28.673) 30.761 18.901 ( -1.498 0.000 -19.920) 19.976 19.636 ( -9.682 0.000 -20.928) 23.059 19.913 ( -0.183 0.000 -0.627) 0.653 21.486 ( -4.634 0.000 5.471) 7.169 21.772 ( 19.166 -0.000 11.188) 22.192 24.289 ( -4.591 0.000 -6.488) 7.948 24.317 ( -2.728 0.000 -1.954) 3.356 ======================= Grid point 327 (155/432) ======================= q-point: (-0.36 0.55 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 17.984 1.341 7.773) 19.638 2.620 ( -1.409 13.908 -1.137) 14.025 2.814 ( -4.682 -9.300 -1.141) 10.475 2.923 ( 2.696 -0.055 7.890) 8.338 3.181 ( -2.394 -1.278 -2.818) 3.912 3.368 ( 10.598 -5.235 -6.670) 13.572 4.328 ( 5.821 12.121 0.924) 13.478 4.494 ( 3.580 -7.032 0.563) 7.911 4.588 ( 1.784 0.699 12.178) 12.328 4.932 ( -2.944 -5.819 12.732) 14.305 5.350 ( -2.787 0.276 2.244) 3.589 5.923 ( -3.269 -0.084 -2.966) 4.415 6.233 ( 0.831 -0.513 14.314) 14.347 6.327 ( -1.922 -4.522 30.020) 30.419 7.249 ( -11.868 0.531 0.906) 11.914 8.094 ( -9.457 7.003 5.982) 13.201 8.299 ( 3.347 -11.494 0.124) 11.973 8.991 ( -1.179 -0.439 2.021) 2.380 9.602 ( 10.019 -2.609 10.408) 14.680 10.821 ( 4.850 3.448 11.335) 12.802 11.691 ( -17.074 -0.136 -16.414) 23.684 12.168 ( 6.117 3.019 -9.143) 11.408 12.277 ( 1.380 18.575 -5.085) 19.307 12.898 ( -3.344 -14.380 -2.897) 15.045 13.130 ( -4.287 4.771 9.183) 11.201 14.074 ( -13.021 1.331 -4.125) 13.724 14.211 ( 6.277 1.724 11.758) 13.440 14.614 ( 2.058 -5.632 -19.822) 20.710 17.978 ( 8.857 -3.704 23.516) 25.400 18.713 ( 0.880 -0.561 -12.270) 12.314 19.278 ( -8.596 -0.834 -20.625) 22.361 19.906 ( -0.544 0.360 0.062) 0.655 21.452 ( -1.602 3.333 -2.165) 4.285 22.141 ( 15.419 0.504 14.024) 20.849 24.156 ( -2.554 1.140 -7.459) 7.966 24.254 ( -3.448 -0.782 -2.204) 4.166 ======================= Grid point 328 (156/432) ======================= q-point: (-0.27 0.55 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( -6.388 7.203 -5.390) 11.033 2.765 ( -12.073 -7.237 4.945) 14.919 2.803 ( 17.022 -0.533 5.705) 17.960 2.987 ( 4.147 6.105 2.317) 7.736 3.189 ( 4.833 -1.153 -0.864) 5.044 3.513 ( 15.957 -5.440 -8.285) 18.785 4.315 ( 4.132 5.675 -0.609) 7.046 4.634 ( 1.394 -5.643 6.438) 8.674 4.682 ( 2.469 4.884 3.308) 6.394 5.041 ( -6.189 -4.783 8.512) 11.560 5.293 ( -6.469 1.619 0.658) 6.701 5.820 ( -7.079 -1.111 -2.098) 7.466 6.446 ( 3.068 -2.351 13.885) 14.413 6.650 ( -2.617 -7.253 16.277) 18.011 7.185 ( -7.512 1.266 18.880) 20.359 8.019 ( -12.553 -1.074 12.628) 17.838 8.436 ( 6.936 -7.013 -3.264) 10.389 9.036 ( 2.193 -4.613 1.883) 5.443 9.864 ( 9.093 -2.179 9.097) 13.045 10.870 ( -6.206 9.943 6.179) 13.250 11.292 ( -14.723 -3.176 -18.309) 23.708 11.993 ( -0.749 24.476 -2.122) 24.579 12.226 ( 10.153 0.742 -5.508) 11.575 12.928 ( 1.257 -4.827 -5.017) 7.074 13.128 ( -7.655 -1.813 7.471) 10.849 13.891 ( -8.289 0.751 -1.035) 8.387 14.265 ( -4.498 -2.361 -5.515) 7.498 14.614 ( 9.072 -2.688 1.654) 9.606 18.254 ( -0.250 -2.138 3.852) 4.413 18.672 ( 6.722 -1.483 -4.538) 8.244 19.025 ( -2.573 -3.364 -9.242) 10.166 19.883 ( -3.813 1.649 1.740) 4.504 21.342 ( 1.247 5.262 -9.800) 11.193 22.478 ( 11.126 2.826 16.826) 20.369 24.046 ( 0.642 1.694 -7.294) 7.515 24.197 ( -3.789 -2.772 -1.803) 5.029 ======================= Grid point 329 (157/432) ======================= q-point: (-0.18 -0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -10.178 -0.304 -5.570) 11.607 2.635 ( -18.994 -10.201 0.972) 21.582 2.992 ( 3.274 4.201 2.975) 6.100 3.138 ( 12.584 2.214 6.258) 14.227 3.268 ( 11.336 4.671 0.885) 12.293 3.677 ( 18.633 -2.170 -8.968) 20.792 4.290 ( -2.699 2.348 -2.843) 4.570 4.662 ( 1.705 7.762 -0.540) 7.965 4.722 ( -5.624 -11.079 0.114) 12.425 5.043 ( -6.552 -0.712 4.135) 7.781 5.206 ( -4.405 5.345 3.704) 7.854 5.744 ( -7.078 -3.790 2.214) 8.329 6.494 ( -8.765 0.142 -3.990) 9.631 6.809 ( 3.377 -7.050 9.492) 12.297 7.484 ( -6.449 0.451 42.806) 43.291 8.083 ( -10.301 -8.563 18.395) 22.755 8.504 ( 5.901 -2.617 -7.162) 9.642 9.181 ( 6.789 -11.304 1.610) 13.283 10.043 ( 3.832 3.691 5.945) 7.978 10.638 ( -14.742 13.021 -2.060) 19.777 10.970 ( -9.982 -5.822 -15.639) 19.446 11.782 ( 0.232 21.429 0.182) 21.431 12.337 ( 11.578 -1.012 -2.290) 11.846 12.907 ( 1.732 6.684 0.637) 6.934 13.139 ( -7.560 -12.540 1.722) 14.744 13.824 ( -1.143 2.646 2.176) 3.612 14.127 ( -8.124 -6.569 -8.138) 13.243 14.823 ( 11.274 1.992 8.798) 14.439 18.064 ( -8.245 1.392 -21.679) 23.236 18.777 ( 9.809 -2.582 -1.182) 10.212 19.099 ( 5.067 -3.673 8.622) 10.654 19.807 ( -8.798 4.227 3.868) 10.499 21.198 ( 5.415 3.816 -15.565) 16.916 22.751 ( 5.516 7.004 18.814) 20.819 23.989 ( 4.363 0.774 -6.579) 7.932 24.167 ( -3.785 -5.313 -0.299) 6.530 ======================= Grid point 330 (158/432) ======================= q-point: (-0.09 -0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( -12.517 -6.972 -4.841) 15.123 2.489 ( -19.639 -13.205 1.196) 23.696 3.024 ( 2.761 4.354 2.545) 5.749 3.214 ( 1.683 2.897 0.375) 3.372 3.462 ( 15.004 7.978 5.012) 17.717 3.810 ( 12.671 1.532 -8.156) 15.146 4.114 ( -13.097 -1.244 -4.804) 14.006 4.575 ( -6.137 7.096 0.045) 9.382 4.709 ( -0.196 -10.589 -9.503) 14.230 5.010 ( -5.097 1.586 5.377) 7.577 5.186 ( 1.119 7.613 4.888) 9.116 5.743 ( -4.752 -5.689 3.845) 8.351 6.261 ( -11.849 0.744 -9.126) 14.975 7.008 ( 0.373 -3.629 10.949) 11.541 7.830 ( -14.007 3.290 42.278) 44.660 8.285 ( -11.651 -15.040 21.711) 28.867 8.489 ( 9.587 3.519 -10.299) 14.504 9.423 ( 9.139 -16.504 0.520) 18.873 9.963 ( -9.396 17.705 1.281) 20.085 10.315 ( -11.811 7.914 -5.509) 15.247 10.823 ( -1.251 -12.280 -9.147) 15.363 11.655 ( 3.617 15.165 0.311) 15.594 12.459 ( 8.389 -2.874 -2.841) 9.311 12.901 ( -5.189 2.293 9.220) 10.825 13.180 ( 0.573 -9.622 -3.174) 10.148 13.846 ( 3.758 4.886 3.772) 7.226 14.003 ( -8.633 -6.775 -3.716) 11.586 15.054 ( 13.161 5.336 8.682) 16.645 17.628 ( -9.522 1.812 -30.563) 32.064 18.943 ( 11.266 -1.349 3.030) 11.744 19.285 ( 5.020 0.727 6.484) 8.233 19.694 ( -9.221 4.016 6.185) 11.808 21.088 ( 8.715 -0.379 -17.852) 19.869 22.907 ( -2.000 12.812 18.502) 22.594 24.003 ( 7.963 -0.948 -5.620) 9.793 24.188 ( -3.292 -7.653 2.895) 8.820 ======================= Grid point 338 (159/432) ======================= q-point: (-0.36 -0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( -13.350 0.000 -6.896) 15.026 2.673 ( -10.601 0.000 0.658) 10.621 2.807 ( 19.019 -0.000 8.588) 20.868 3.086 ( 4.457 -0.000 7.526) 8.747 3.153 ( 6.885 -0.000 -3.866) 7.897 3.457 ( 17.834 -0.000 -7.691) 19.422 4.378 ( 1.638 -0.000 -4.316) 4.616 4.560 ( 5.458 -0.000 0.116) 5.459 4.735 ( -1.930 0.000 11.566) 11.726 4.995 ( -4.394 0.000 9.989) 10.913 5.309 ( -6.248 0.000 2.125) 6.600 5.810 ( -6.969 0.000 -3.594) 7.841 6.435 ( 6.852 -0.000 12.360) 14.132 6.577 ( -4.559 0.000 17.725) 18.302 7.196 ( -7.227 0.000 17.555) 18.984 8.008 ( -19.938 0.000 14.496) 24.651 8.379 ( 13.690 -0.000 -3.995) 14.261 8.998 ( 0.497 -0.000 1.170) 1.271 9.846 ( 10.298 -0.000 10.231) 14.516 10.962 ( -3.235 0.000 7.112) 7.813 11.251 ( -18.223 0.000 -18.888) 26.246 12.210 ( 11.341 -0.000 -5.848) 12.760 12.300 ( -0.348 0.000 -7.820) 7.828 12.774 ( -2.076 0.000 0.702) 2.192 13.163 ( -8.619 0.000 7.117) 11.177 13.897 ( -8.235 0.000 -0.897) 8.284 14.231 ( -5.714 0.000 -10.602) 12.044 14.597 ( 11.094 -0.000 5.955) 12.591 18.235 ( 1.519 -0.000 6.665) 6.836 18.660 ( 5.721 -0.000 -4.863) 7.509 18.996 ( -2.155 0.000 -10.600) 10.817 19.896 ( -2.668 0.000 1.260) 2.951 21.391 ( 0.768 -0.000 -9.964) 9.993 22.501 ( 10.954 -0.000 18.333) 21.356 24.061 ( 1.126 -0.000 -8.474) 8.548 24.171 ( -4.887 0.000 -1.686) 5.170 ======================= Grid point 339 (160/432) ======================= q-point: (-0.27 -0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( -15.938 0.744 -5.239) 16.794 2.492 ( -18.949 -5.505 -1.120) 19.764 3.072 ( 7.959 3.541 4.863) 9.977 3.180 ( 4.952 2.487 4.852) 7.366 3.313 ( 18.526 0.386 0.124) 18.530 3.641 ( 21.187 -1.433 -7.180) 22.416 4.342 ( -1.189 3.610 -2.628) 4.621 4.536 ( -7.825 -8.450 -6.781) 13.364 4.772 ( -2.977 3.744 3.794) 6.106 5.032 ( -3.840 -0.620 5.943) 7.102 5.274 ( -3.712 2.327 5.827) 7.291 5.694 ( -7.726 -1.763 0.284) 7.930 6.513 ( -8.666 1.785 -4.598) 9.972 6.697 ( 7.762 -5.107 9.715) 13.442 7.487 ( -3.959 0.029 40.409) 40.603 7.962 ( -19.744 -4.278 21.393) 29.424 8.495 ( 12.478 0.343 -6.883) 14.255 9.051 ( 4.476 -4.046 0.329) 6.042 10.079 ( 8.064 0.933 8.888) 12.037 10.782 ( -16.930 3.665 -14.747) 22.750 10.918 ( -9.767 -0.652 -3.691) 10.461 12.121 ( -1.676 15.267 -6.061) 16.511 12.323 ( 10.872 -0.511 -2.955) 11.278 12.849 ( 3.697 -10.284 0.903) 10.965 13.069 ( -14.556 2.659 6.803) 16.286 13.856 ( 0.277 0.988 2.634) 2.827 14.022 ( -8.160 -4.306 -10.921) 14.296 14.850 ( 11.875 0.918 10.696) 16.008 18.082 ( -7.576 0.596 -21.630) 22.926 18.746 ( 9.827 -0.965 0.486) 9.886 19.053 ( 6.325 -1.515 9.606) 11.600 19.855 ( -6.580 1.428 2.829) 7.303 21.257 ( 3.784 2.294 -16.515) 17.098 22.832 ( 5.831 2.510 22.214) 23.103 23.999 ( 4.611 0.443 -8.692) 9.850 24.098 ( -5.470 -2.488 -0.631) 6.042 ======================= Grid point 340 (161/432) ======================= q-point: (-0.18 -0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -17.611 -2.111 -2.821) 17.960 2.276 ( -22.304 -11.146 -0.186) 24.935 3.124 ( 3.653 6.885 1.597) 7.956 3.255 ( 3.156 1.073 1.399) 3.615 3.567 ( 17.233 4.240 2.619) 17.939 3.840 ( 17.869 2.143 -6.523) 19.143 4.107 ( -19.081 0.868 -7.342) 20.463 4.475 ( -9.203 -12.005 -0.999) 15.159 4.715 ( 3.643 4.832 -5.313) 8.052 5.034 ( -5.632 1.206 5.883) 8.233 5.293 ( 1.568 4.816 4.671) 6.890 5.657 ( -5.888 -4.365 3.851) 8.279 6.276 ( -11.000 1.023 -10.154) 15.005 6.945 ( 6.552 -3.456 9.388) 11.959 7.851 ( -8.734 -1.741 32.827) 34.014 8.060 ( -20.682 -8.418 33.712) 40.436 8.546 ( 12.290 2.497 -9.195) 15.551 9.201 ( 9.298 -9.494 -0.241) 13.291 10.184 ( -0.861 8.591 4.914) 9.934 10.381 ( -15.961 -0.355 -13.664) 21.014 10.761 ( -3.199 3.149 -3.361) 5.608 11.914 ( -0.815 14.317 -4.460) 15.018 12.413 ( 7.044 -2.423 -4.257) 8.579 12.932 ( -17.197 0.968 10.154) 19.995 13.025 ( 8.320 -7.696 1.127) 11.390 13.861 ( -8.980 -7.446 -5.053) 12.713 13.919 ( 4.453 2.252 3.609) 6.158 15.123 ( 13.733 2.758 10.394) 17.442 17.654 ( -8.338 1.167 -32.061) 33.148 18.926 ( 12.134 -0.666 3.946) 12.777 19.280 ( 6.511 -0.756 10.958) 12.769 19.759 ( -10.211 3.209 3.831) 11.369 21.104 ( 7.460 1.605 -20.011) 21.416 23.091 ( -0.347 8.501 24.078) 25.537 23.986 ( 7.530 -0.814 -7.756) 10.840 24.067 ( -4.870 -6.148 1.449) 7.976 ======================= Grid point 341 (162/432) ======================= q-point: (-0.09 -0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -18.902 -6.608 -0.922) 20.045 2.105 ( -22.372 -15.703 1.594) 27.379 3.103 ( -0.532 3.136 -2.116) 3.821 3.289 ( 3.123 4.810 1.689) 5.978 3.597 ( -24.722 0.606 -5.247) 25.280 3.711 ( 5.061 5.186 -2.204) 7.574 4.074 ( 10.874 1.376 0.077) 10.961 4.407 ( -10.525 -6.161 0.916) 12.230 4.705 ( 10.456 4.648 -8.182) 14.067 5.014 ( -5.233 0.383 5.681) 7.733 5.320 ( 3.726 6.671 1.320) 7.755 5.683 ( -2.990 -5.666 3.250) 7.184 6.011 ( -10.946 0.271 -8.801) 14.048 7.107 ( -1.560 0.617 10.282) 10.418 8.026 ( -14.627 -6.423 21.242) 26.579 8.201 ( -18.653 -1.607 24.144) 30.553 8.644 ( 12.692 -0.062 1.104) 12.740 9.412 ( 9.077 -11.986 -2.454) 15.234 9.991 ( -13.087 19.973 1.164) 23.907 10.118 ( -6.421 -3.904 -6.548) 9.967 10.748 ( 4.307 0.121 -0.065) 4.309 11.769 ( 0.956 9.056 -4.285) 10.064 12.465 ( 5.277 -5.005 -5.732) 9.260 12.840 ( -17.660 -2.194 12.870) 21.962 13.183 ( 7.449 -3.145 -1.074) 8.157 13.815 ( -6.936 -10.758 3.837) 13.363 14.009 ( 6.735 4.342 3.663) 8.811 15.387 ( 15.578 5.651 7.878) 18.349 17.146 ( -8.913 1.241 -35.299) 36.428 19.154 ( 12.850 -0.212 6.459) 14.384 19.409 ( -0.668 5.434 4.362) 7.000 19.687 ( -3.555 -1.616 6.080) 7.226 20.987 ( 9.445 -0.808 -19.911) 22.052 23.185 ( -8.285 17.314 20.452) 28.048 24.035 ( 10.049 -2.412 -7.486) 12.761 24.130 ( -3.038 -9.918 8.431) 13.367 ======================= Grid point 350 (163/432) ======================= q-point: (-0.27 -0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -19.740 0.000 -0.344) 19.743 2.167 ( -23.210 0.000 -2.285) 23.322 3.217 ( -0.928 0.000 -0.061) 0.930 3.237 ( 8.173 -0.000 2.224) 8.471 3.602 ( 18.317 -0.000 1.817) 18.407 3.863 ( 21.795 -0.000 -4.462) 22.247 4.134 ( -25.670 0.000 -11.142) 27.984 4.343 ( -4.450 0.000 1.248) 4.621 4.758 ( 1.417 -0.000 -4.526) 4.743 5.045 ( -4.958 0.000 6.106) 7.865 5.336 ( 1.145 -0.000 4.669) 4.808 5.615 ( -6.430 0.000 3.949) 7.546 6.287 ( -10.651 0.000 -10.767) 15.145 6.911 ( 10.131 -0.000 8.510) 13.231 7.813 ( -10.276 0.000 23.426) 25.581 8.007 ( -21.136 0.000 45.230) 49.925 8.568 ( 11.434 -0.000 -9.328) 14.756 9.119 ( 9.732 -0.000 -0.765) 9.762 10.258 ( 2.417 -0.000 7.471) 7.853 10.364 ( -15.444 0.000 -17.632) 23.440 10.807 ( -4.929 0.000 -1.160) 5.064 12.056 ( -3.535 0.000 -8.543) 9.246 12.388 ( 5.816 -0.000 -4.767) 7.520 12.919 ( 6.747 -0.000 4.736) 8.243 12.972 ( -16.597 0.000 11.985) 20.472 13.785 ( -8.871 0.000 -7.072) 11.345 13.941 ( 5.276 -0.000 3.798) 6.501 15.146 ( 13.785 -0.000 10.962) 17.613 17.664 ( -7.896 0.000 -32.624) 33.566 18.920 ( 12.393 -0.000 4.320) 13.125 19.272 ( 6.913 -0.000 12.418) 14.212 19.788 ( -9.988 0.000 3.067) 10.448 21.121 ( 6.770 -0.000 -20.950) 22.017 23.167 ( 0.676 -0.000 27.291) 27.299 23.982 ( 8.256 -0.000 -9.668) 12.714 24.007 ( -6.784 0.000 1.118) 6.875 ======================= Grid point 351 (164/432) ======================= q-point: (-0.18 -0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -22.510 1.349 3.265) 22.785 1.871 ( -25.178 -10.499 0.434) 27.283 3.142 ( -5.926 1.201 -6.672) 9.004 3.356 ( 6.760 2.606 2.328) 7.609 3.616 ( -29.783 0.957 -5.757) 30.350 3.778 ( 8.357 2.221 -1.789) 8.831 4.109 ( 16.449 2.981 -0.198) 16.718 4.283 ( -9.315 -6.800 1.682) 11.655 4.770 ( 11.210 2.263 -6.179) 12.999 5.026 ( -7.265 0.686 5.589) 9.191 5.393 ( 3.532 2.140 1.451) 4.377 5.610 ( -3.775 -2.591 4.600) 6.491 6.020 ( -10.598 0.511 -10.741) 15.098 7.122 ( 7.562 0.851 7.128) 10.426 7.858 ( -16.851 -7.558 16.854) 25.003 8.254 ( -22.174 3.458 42.966) 48.474 8.607 ( 10.101 -2.625 -7.345) 12.762 9.283 ( 13.176 -3.632 -2.324) 13.864 10.039 ( -8.700 -3.016 -11.034) 14.371 10.241 ( -9.157 8.193 2.465) 12.532 10.802 ( 5.618 3.024 1.786) 6.625 11.893 ( -3.092 4.368 -7.663) 9.346 12.394 ( 3.951 -2.709 -6.653) 8.198 12.892 ( -14.685 7.905 16.492) 23.455 13.089 ( 3.406 -8.329 4.808) 10.202 13.651 ( -8.347 -6.454 -0.080) 10.552 14.059 ( 6.842 1.531 3.494) 7.833 15.450 ( 15.729 1.827 9.233) 18.330 17.162 ( -7.701 0.525 -37.444) 38.231 19.151 ( 13.167 -0.101 6.223) 14.564 19.476 ( 4.226 2.157 9.472) 10.594 19.668 ( -10.641 -0.568 2.070) 10.855 20.984 ( 9.447 0.106 -21.454) 23.442 23.433 ( -4.244 10.270 28.400) 30.497 23.969 ( -6.435 -7.472 4.783) 10.960 24.004 ( 10.586 -1.076 -8.911) 13.879 ======================= Grid point 352 (165/432) ======================= q-point: (-0.09 -0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -24.038 -3.744 4.321) 24.708 1.689 ( -24.793 -15.565 3.766) 29.515 2.791 ( -32.503 -7.062 -9.754) 34.662 3.312 ( -8.616 4.735 4.498) 10.812 3.470 ( 4.376 3.958 4.516) 7.430 3.733 ( -3.686 4.665 -5.043) 7.796 4.137 ( -5.848 -1.403 0.660) 6.050 4.396 ( 13.531 -0.332 1.284) 13.596 4.811 ( 6.478 7.368 -3.315) 10.356 5.006 ( -2.642 -1.920 3.382) 4.702 5.407 ( 3.288 5.135 -3.805) 7.187 5.650 ( -1.094 -3.306 2.606) 4.350 5.795 ( -7.722 -2.188 -5.210) 9.569 7.215 ( -3.334 7.234 9.183) 12.156 7.896 ( -15.214 -12.533 11.269) 22.705 8.292 ( -16.021 10.299 21.708) 28.879 8.772 ( 8.018 -9.535 4.055) 13.101 9.388 ( 6.709 -5.040 -8.450) 11.909 9.982 ( -11.357 13.086 2.861) 17.562 10.013 ( 2.096 -5.344 -1.250) 5.874 10.887 ( 6.650 7.269 4.410) 10.794 11.737 ( -3.074 3.789 -7.689) 9.106 12.399 ( 3.311 -5.364 -6.970) 9.397 12.792 ( -15.355 8.976 12.579) 21.785 13.231 ( 2.313 -3.387 3.441) 5.354 13.724 ( -2.521 -16.898 10.086) 19.840 14.164 ( 6.763 2.844 2.439) 7.732 15.716 ( 15.977 4.803 4.794) 17.358 16.638 ( -10.044 -0.128 -31.467) 33.031 19.399 ( 12.117 -0.594 7.285) 14.151 19.427 ( -7.549 6.385 -0.558) 9.903 19.716 ( 2.300 -5.814 5.793) 8.523 20.888 ( 10.316 -0.459 -19.190) 21.792 23.444 ( -11.756 24.353 17.989) 32.479 24.045 ( 6.848 -4.159 -4.738) 9.308 24.159 ( 2.673 -12.124 13.264) 18.168 ======================= Grid point 362 (166/432) ======================= q-point: (-0.18 -0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -27.559 0.000 1.136) 27.582 1.497 ( -25.554 0.000 10.410) 27.593 2.732 ( -35.660 0.000 -11.438) 37.449 3.361 ( -10.294 0.000 4.508) 11.238 3.500 ( 7.177 -0.000 3.618) 8.037 3.775 ( -4.475 0.000 -4.834) 6.587 4.124 ( -7.754 0.000 0.148) 7.755 4.389 ( 18.300 -0.000 1.842) 18.393 4.891 ( 11.949 -0.000 -3.485) 12.447 4.975 ( -8.248 0.000 3.955) 9.147 5.449 ( 3.610 -0.000 -2.611) 4.455 5.621 ( 0.258 -0.000 3.396) 3.406 5.777 ( -9.815 0.000 -7.392) 12.287 7.301 ( 7.888 -0.000 4.086) 8.883 7.756 ( -20.646 0.000 15.626) 25.892 8.437 ( -22.047 0.000 38.080) 44.002 8.617 ( 9.343 -0.000 -7.690) 12.101 9.359 ( 9.138 -0.000 -10.719) 14.085 9.922 ( 2.884 -0.000 0.280) 2.897 10.141 ( -12.326 0.000 -0.526) 12.338 10.954 ( 8.989 -0.000 3.705) 9.722 11.769 ( -4.197 0.000 -7.726) 8.792 12.355 ( 4.582 -0.000 -7.472) 8.765 13.043 ( -2.161 0.000 -1.989) 2.938 13.062 ( -10.495 0.000 28.633) 30.495 13.543 ( -6.289 0.000 3.628) 7.261 14.190 ( 6.726 -0.000 2.485) 7.170 15.756 ( 15.783 -0.000 5.892) 16.847 16.637 ( -9.636 0.000 -33.314) 34.679 19.394 ( 11.697 -0.000 7.252) 13.762 19.500 ( -10.838 0.000 -3.160) 11.289 19.648 ( 3.469 -0.000 7.840) 8.573 20.885 ( 10.753 -0.000 -19.485) 22.255 23.791 ( -1.794 0.000 29.372) 29.427 23.871 ( -8.222 0.000 4.367) 9.310 24.057 ( 10.479 -0.000 -4.648) 11.464 ======================= Grid point 363 (167/432) ======================= q-point: (-0.09 -0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -26.640 -2.900 7.374) 27.794 1.290 ( -28.206 -8.515 4.428) 29.794 2.178 ( -44.770 -7.181 9.672) 46.362 3.308 ( -3.804 2.281 2.312) 5.002 3.589 ( -9.259 2.638 -0.348) 9.633 3.641 ( 4.971 1.196 0.750) 5.167 4.046 ( -3.139 -0.543 -2.791) 4.236 4.617 ( 10.353 1.930 3.584) 11.125 4.895 ( 0.644 6.688 0.586) 6.745 5.001 ( 2.923 -3.863 -0.715) 4.897 5.359 ( -1.897 3.016 -13.171) 13.644 5.662 ( -2.156 0.501 5.994) 6.390 5.711 ( 3.287 -4.444 1.774) 5.806 7.351 ( -1.962 13.052 5.696) 14.375 7.706 ( -16.222 -11.431 10.327) 22.371 8.462 ( -8.137 17.618 17.476) 26.115 8.802 ( 7.593 -16.755 3.378) 18.703 9.325 ( 5.454 -3.350 -8.959) 11.010 9.930 ( -11.014 9.186 -1.205) 14.392 10.046 ( 6.834 -6.500 1.355) 9.529 11.086 ( 6.864 4.484 3.568) 8.941 11.590 ( -8.408 2.726 -11.029) 14.134 12.348 ( 5.294 -0.501 -6.445) 8.356 12.827 ( -12.650 19.801 2.422) 23.621 13.268 ( -0.677 -5.880 3.238) 6.746 13.621 ( -2.405 -21.611 2.909) 21.938 14.283 ( 5.520 1.496 0.709) 5.763 15.971 ( 13.053 3.399 -0.283) 13.491 16.320 ( -6.199 -0.869 8.377) 10.457 19.308 ( -7.527 0.421 -6.252) 9.794 19.623 ( 9.742 -0.264 6.660) 11.804 19.765 ( 1.349 -3.388 4.716) 5.961 20.827 ( 11.231 0.191 -16.487) 19.950 23.675 ( -11.047 27.143 9.713) 30.873 24.064 ( 7.955 -4.261 -2.678) 9.413 24.278 ( 4.645 -12.244 16.052) 20.716 ======================= Grid point 374 (168/432) ======================= q-point: (-0.09 -0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -29.374 0.000 4.975) 29.793 0.907 ( -23.821 0.000 14.163) 27.714 1.841 ( -41.714 0.000 37.566) 56.136 3.295 ( -1.609 0.000 0.925) 1.856 3.419 ( -10.977 0.000 -2.370) 11.230 3.769 ( 7.927 -0.000 1.122) 8.006 3.988 ( -2.126 0.000 -0.988) 2.345 4.698 ( -4.091 0.000 1.972) 4.542 4.959 ( 0.716 -0.000 -6.507) 6.546 4.976 ( 4.159 -0.000 -5.309) 6.744 5.248 ( 4.424 -0.000 -0.840) 4.503 5.744 ( -1.402 0.000 11.753) 11.837 5.793 ( 7.050 -0.000 1.911) 7.304 7.466 ( 2.628 -0.000 -2.454) 3.596 7.542 ( -18.363 0.000 14.550) 23.429 8.669 ( -1.693 0.000 -5.804) 6.046 8.804 ( 9.068 -0.000 3.079) 9.577 9.344 ( 7.082 -0.000 5.203) 8.788 9.841 ( -7.234 0.000 0.387) 7.244 10.072 ( 4.754 -0.000 -4.769) 6.734 11.186 ( -31.846 0.000 -24.795) 40.361 11.193 ( 3.591 -0.000 0.149) 3.594 12.378 ( 8.499 -0.000 -5.889) 10.340 12.812 ( -7.316 0.000 -4.449) 8.563 12.912 ( -21.076 0.000 -17.906) 27.655 13.518 ( -4.021 0.000 4.857) 6.306 14.350 ( 3.758 -0.000 -0.457) 3.786 16.096 ( 8.200 -0.000 -6.088) 10.213 16.953 ( 38.174 -0.000 64.990) 75.372 19.130 ( -4.064 0.000 -10.117) 10.902 19.782 ( -1.402 0.000 0.838) 1.633 19.796 ( 4.769 -0.000 6.201) 7.823 20.818 ( 12.777 -0.000 -12.865) 18.132 23.776 ( -8.098 0.000 6.496) 10.382 24.113 ( 7.318 -0.000 -4.891) 8.802 24.294 ( -8.325 0.000 -10.623) 13.496 ======================= Grid point 375 (169/432) ======================= q-point: ( 0.00 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -1.552 0.000 26.204) 26.250 1.700 ( 2.652 -0.000 20.612) 20.782 2.867 ( -0.106 0.000 28.873) 28.873 3.089 ( -1.494 0.000 -5.042) 5.259 3.619 ( 3.316 -0.000 9.881) 10.423 3.759 ( 9.513 -0.000 -8.745) 12.922 4.079 ( -6.787 0.000 -16.836) 18.152 4.127 ( -8.641 0.000 -0.993) 8.698 4.577 ( 4.869 -0.000 -0.743) 4.925 5.053 ( -1.904 0.000 3.182) 3.708 5.639 ( 3.419 -0.000 0.256) 3.428 6.063 ( 1.674 -0.000 4.223) 4.543 6.705 ( 1.972 -0.000 31.956) 32.017 7.153 ( -4.304 0.000 -8.362) 9.404 7.523 ( -18.579 0.000 6.667) 19.739 8.183 ( -20.055 0.000 30.536) 36.533 9.360 ( -8.018 0.000 0.383) 8.027 9.504 ( 7.021 -0.000 15.619) 17.124 9.763 ( -9.208 0.000 -3.389) 9.812 9.904 ( 3.716 -0.000 1.319) 3.943 10.739 ( 21.455 -0.000 9.722) 23.555 10.967 ( -5.898 0.000 -8.244) 10.136 12.104 ( 1.705 -0.000 -13.471) 13.578 12.535 ( -1.465 0.000 -6.191) 6.362 12.953 ( -2.912 0.000 15.513) 15.784 13.659 ( 2.333 -0.000 3.300) 4.041 14.286 ( -2.372 0.000 -2.678) 3.577 15.514 ( -2.726 0.000 -19.747) 19.934 18.592 ( 8.656 -0.000 -15.494) 17.748 19.210 ( -4.935 0.000 -11.556) 12.566 19.521 ( 26.120 -0.000 -3.585) 26.365 19.705 ( -9.759 0.000 -5.158) 11.039 21.169 ( 21.814 -0.000 6.704) 22.821 22.259 ( -50.884 0.000 -2.239) 50.933 23.844 ( -7.031 0.000 4.568) 8.385 24.201 ( 8.103 -0.000 -2.997) 8.640 ======================= Grid point 376 (170/432) ======================= q-point: ( 0.09 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 1.901 0.999 24.539) 24.633 1.988 ( 6.941 -5.252 17.454) 19.504 3.043 ( 4.295 1.753 -4.622) 6.548 3.216 ( 6.978 -1.889 18.034) 19.429 3.691 ( -5.058 6.077 -8.757) 11.798 3.720 ( 2.518 3.831 2.614) 5.277 3.908 ( 6.151 -6.933 -11.343) 14.648 3.937 ( -8.825 -0.968 -8.753) 12.467 4.707 ( 6.604 0.408 7.766) 10.203 5.051 ( -5.633 -1.806 5.291) 7.936 5.630 ( -2.149 0.895 -1.887) 2.997 6.098 ( -2.977 1.015 4.357) 5.374 6.960 ( -3.792 5.782 0.891) 6.972 7.073 ( -4.096 -2.939 16.437) 17.193 7.452 ( -16.009 0.686 25.310) 29.956 8.269 ( -18.443 1.821 29.185) 34.572 9.255 ( -0.472 12.167 1.627) 12.285 9.641 ( 1.039 8.497 3.056) 9.089 9.815 ( -2.852 -17.392 10.004) 20.265 9.996 ( 5.882 -7.605 0.629) 9.635 10.716 ( -1.371 13.482 -4.983) 14.439 11.256 ( 20.922 -17.286 6.062) 27.809 11.991 ( 3.074 -1.139 -12.223) 12.655 12.402 ( -0.191 4.526 -11.360) 12.230 13.112 ( -2.518 -5.687 13.768) 15.108 13.752 ( 4.956 -1.741 3.159) 6.130 14.209 ( -4.544 0.668 -2.308) 5.140 15.232 ( -5.371 2.818 -17.831) 18.835 18.561 ( 12.078 1.573 -12.582) 17.512 18.860 ( -15.373 1.533 -17.807) 23.574 19.494 ( -8.284 3.214 -4.798) 10.099 19.804 ( 15.005 -2.485 -5.452) 16.157 21.503 ( 8.212 7.210 9.867) 14.723 21.725 ( -21.498 -4.591 2.327) 22.106 23.824 ( -4.730 -3.706 2.107) 6.367 24.272 ( 6.933 0.001 -2.074) 7.237 ======================= Grid point 377 (171/432) ======================= q-point: ( 0.18 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 4.554 2.648 18.783) 19.508 2.357 ( 10.622 -8.476 15.622) 20.705 3.049 ( 6.234 3.422 -3.967) 8.143 3.362 ( -7.291 -0.329 2.125) 7.602 3.466 ( 4.997 10.440 -11.300) 16.176 3.644 ( -5.490 6.534 -8.681) 12.173 3.853 ( 3.910 -8.573 2.644) 9.787 4.007 ( 6.619 -9.917 -5.562) 13.157 4.869 ( 3.925 1.184 8.444) 9.386 5.079 ( -5.964 -3.099 9.779) 11.866 5.527 ( -6.601 1.696 -4.636) 8.242 6.074 ( -5.228 2.185 3.934) 6.898 6.806 ( -8.682 0.338 -5.782) 10.436 7.139 ( -7.477 1.984 10.392) 12.955 7.691 ( -9.468 2.088 42.563) 43.654 8.307 ( -16.128 4.948 22.783) 28.349 9.156 ( -2.142 9.724 0.486) 9.969 9.703 ( 7.189 10.678 9.346) 15.908 9.827 ( -11.651 -11.289 -3.774) 16.657 10.279 ( 6.787 -9.638 9.517) 15.150 10.577 ( 1.304 -0.743 -5.270) 5.480 11.725 ( 19.384 -9.020 6.758) 22.423 11.895 ( 2.051 2.472 -11.899) 12.325 12.269 ( 8.573 1.918 -11.788) 14.702 13.274 ( -2.645 -7.650 10.529) 13.281 13.877 ( 4.965 -4.139 1.777) 6.704 14.109 ( -5.829 1.257 -1.332) 6.110 14.950 ( -5.325 4.186 -13.222) 14.856 18.427 ( -14.965 1.671 -19.602) 24.718 18.604 ( 13.845 1.084 -9.109) 16.608 19.316 ( -8.503 0.730 -3.606) 9.265 19.859 ( 0.375 -0.335 -2.919) 2.962 21.305 ( -12.362 8.148 -0.303) 14.809 21.977 ( 14.667 -7.829 10.475) 19.650 23.825 ( -1.345 -3.487 -0.049) 3.737 24.332 ( 5.311 0.939 -1.021) 5.489 ======================= Grid point 378 (172/432) ======================= q-point: ( 0.27 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 2.601 4.004 11.086) 12.071 2.733 ( 12.456 -8.276 10.612) 18.338 3.032 ( 1.151 4.427 -0.746) 4.635 3.219 ( -8.369 0.163 -5.320) 9.918 3.327 ( -0.155 10.676 -7.134) 12.841 3.485 ( 3.965 3.143 -4.608) 6.843 4.043 ( 7.086 -11.622 -2.219) 13.792 4.109 ( 6.362 -8.561 -3.788) 11.319 4.963 ( -1.594 0.567 6.657) 6.869 5.148 ( -5.121 -2.372 9.574) 11.114 5.319 ( -12.409 2.606 -6.435) 14.219 6.025 ( -4.559 3.543 3.225) 6.613 6.601 ( -12.206 0.117 -5.702) 13.472 7.157 ( -4.762 1.462 10.314) 11.454 8.028 ( -9.604 1.660 39.987) 41.158 8.290 ( -10.052 5.656 14.571) 18.584 9.055 ( -7.356 8.237 5.837) 12.491 9.678 ( -16.148 -18.074 -5.033) 24.754 9.837 ( 10.668 20.161 9.395) 24.669 10.303 ( -7.866 -3.271 -3.727) 9.298 10.808 ( 14.470 -13.685 6.228) 20.868 11.609 ( -5.011 12.363 -13.618) 19.063 12.129 ( 19.816 -0.744 2.057) 19.936 12.387 ( 17.523 -6.859 -2.393) 18.969 13.400 ( -3.008 -6.360 7.656) 10.398 13.898 ( -5.798 2.176 -1.319) 6.332 14.073 ( 0.314 -5.904 -0.817) 5.969 14.764 ( -0.550 2.124 -6.061) 6.446 17.990 ( -14.770 0.043 -22.068) 26.555 18.706 ( 14.096 1.440 -4.063) 14.741 19.196 ( -4.816 -1.177 -1.727) 5.250 19.802 ( -6.763 -1.599 0.676) 6.982 21.116 ( -1.675 7.165 -6.737) 9.977 22.348 ( 10.475 -9.426 12.567) 18.881 23.846 ( 2.787 -1.916 -2.024) 3.942 24.371 ( 3.262 2.586 0.419) 4.184 ======================= Grid point 379 (173/432) ======================= q-point: (-0.64 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( -5.044 6.834 2.092) 8.747 2.936 ( -6.921 1.889 1.266) 7.285 3.015 ( -2.457 0.903 -1.794) 3.173 3.133 ( 5.832 -2.025 2.252) 6.572 3.201 ( 3.664 2.708 0.914) 4.647 3.560 ( 11.866 -0.200 -1.922) 12.023 4.151 ( 3.709 -12.098 -6.726) 14.330 4.223 ( 5.038 -2.589 -1.220) 5.794 4.977 ( -7.834 -4.019 1.109) 8.874 5.010 ( -11.437 4.680 -6.516) 13.970 5.204 ( -7.505 -2.083 8.554) 11.568 5.968 ( -3.150 5.244 1.991) 6.433 6.366 ( -13.885 0.438 -4.520) 14.609 7.216 ( -2.901 1.230 10.429) 10.895 8.198 ( -1.043 1.736 3.551) 4.088 8.386 ( -12.106 0.709 33.844) 35.951 8.948 ( -14.892 6.632 12.502) 20.544 9.593 ( -11.960 -17.000 -2.850) 20.980 9.855 ( 2.283 15.426 5.106) 16.409 10.188 ( -7.118 -5.249 -4.664) 9.998 11.138 ( 13.883 4.488 1.536) 14.671 11.319 ( -1.427 4.222 -6.896) 8.211 12.329 ( 15.786 2.137 -5.338) 16.801 12.717 ( 17.825 -5.214 6.327) 19.620 13.457 ( -6.752 -0.200 6.612) 9.452 13.775 ( -4.764 0.737 -0.445) 4.842 14.082 ( -3.232 -4.605 -3.232) 6.489 14.797 ( 8.005 -5.276 0.035) 9.587 17.535 ( -15.324 -0.153 -23.625) 28.160 18.858 ( 12.751 1.677 2.349) 13.074 19.179 ( 0.701 -4.707 -1.227) 4.915 19.751 ( -6.181 -2.897 2.606) 7.307 20.967 ( 3.286 7.248 -11.470) 13.961 22.686 ( 3.878 -12.594 13.862) 19.126 23.881 ( 6.928 0.683 -4.234) 8.148 24.388 ( 1.270 4.268 2.737) 5.227 ======================= Grid point 380 (174/432) ======================= q-point: (-0.55 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( -12.284 8.172 1.487) 14.829 2.677 ( -17.899 6.479 -3.137) 19.292 3.039 ( 3.704 2.378 1.695) 4.717 3.158 ( 1.646 -3.206 0.921) 3.720 3.417 ( 9.129 -6.302 1.987) 11.270 3.712 ( 7.920 -2.694 1.589) 8.515 4.122 ( -9.684 3.702 0.664) 10.389 4.302 ( 10.285 -7.738 -6.895) 14.601 4.689 ( -14.488 1.686 -6.983) 16.171 5.004 ( -1.373 -5.503 0.984) 5.756 5.201 ( -7.034 -3.648 4.010) 8.880 5.897 ( -2.211 6.447 0.618) 6.843 6.139 ( -13.542 1.046 -2.210) 13.761 7.283 ( -3.331 1.305 10.161) 10.772 8.180 ( 4.045 -1.270 -8.566) 9.558 8.551 ( -16.644 0.088 25.593) 30.529 8.863 ( -16.906 1.847 17.292) 24.254 9.574 ( -8.019 -13.563 -0.975) 15.787 9.788 ( -2.577 7.715 2.330) 8.462 10.101 ( -6.892 -5.612 -1.616) 9.034 11.007 ( 7.882 25.963 -5.052) 27.600 11.480 ( 6.617 -9.738 2.752) 12.091 12.406 ( 12.896 4.632 -9.151) 16.477 13.020 ( 12.152 -2.596 4.738) 13.299 13.339 ( -15.555 7.930 7.315) 18.930 13.821 ( 4.269 -6.152 2.323) 7.840 14.036 ( -2.620 -0.907 0.618) 2.841 15.012 ( 12.780 -10.843 -0.191) 16.761 17.070 ( -15.652 0.887 -21.221) 26.384 19.068 ( 12.290 1.046 7.439) 14.404 19.239 ( 2.298 -7.605 -2.186) 8.239 19.755 ( -1.229 -2.037 3.069) 3.883 20.816 ( 5.535 7.218 -14.804) 17.376 22.962 ( -4.258 -16.653 13.346) 21.762 23.919 ( 10.540 3.717 -6.233) 12.797 24.407 ( 0.334 5.107 6.475) 8.253 ======================= Grid point 381 (175/432) ======================= q-point: (-0.45 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -17.294 8.176 5.877) 20.012 2.318 ( -20.889 8.785 -3.833) 22.983 3.077 ( 2.602 3.193 0.129) 4.121 3.269 ( 3.805 -5.664 5.171) 8.561 3.529 ( 0.781 -6.354 -2.367) 6.826 3.654 ( -21.947 3.715 3.402) 22.518 4.107 ( 9.346 -0.252 5.104) 10.652 4.426 ( 3.108 -2.343 -10.341) 11.050 4.458 ( -3.735 -4.205 0.305) 5.633 5.045 ( 0.377 -3.624 -0.329) 3.658 5.180 ( -4.963 -7.219 -1.763) 8.936 5.823 ( -0.834 6.533 -0.095) 6.587 5.957 ( -10.981 2.201 1.712) 11.330 7.327 ( -6.080 0.465 9.688) 11.448 8.143 ( 2.159 -4.934 -9.322) 10.767 8.520 ( -19.608 3.339 16.275) 25.700 8.840 ( -11.720 -2.920 8.587) 14.820 9.564 ( -4.481 -4.794 -0.504) 6.581 9.732 ( -5.643 -0.880 2.787) 6.355 10.108 ( -1.551 -6.224 4.549) 7.864 10.896 ( 8.306 19.713 0.623) 21.401 11.606 ( 1.936 -4.013 -1.074) 4.583 12.394 ( 11.082 7.211 -11.685) 17.645 13.080 ( -7.683 4.455 -2.911) 9.347 13.240 ( -5.675 0.488 13.315) 14.482 13.932 ( 1.132 -6.508 -0.740) 6.647 14.099 ( 7.014 3.700 6.521) 10.267 15.281 ( 14.896 -13.181 -2.874) 20.097 16.670 ( -14.275 1.811 -10.194) 17.635 19.274 ( 0.596 -7.811 -2.092) 8.108 19.334 ( 11.486 0.603 7.125) 13.530 19.816 ( 4.295 0.929 2.729) 5.173 20.663 ( 7.006 6.085 -16.692) 19.098 23.146 ( -11.923 -20.967 10.220) 26.195 23.954 ( 11.898 5.617 -6.924) 14.868 24.470 ( 1.296 4.922 10.435) 11.611 ======================= Grid point 382 (176/432) ======================= q-point: (-0.36 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -20.584 8.628 9.863) 24.401 1.902 ( -23.839 10.121 -2.840) 26.054 3.015 ( -10.240 12.384 7.611) 17.781 3.325 ( -15.873 -1.400 4.526) 16.565 3.478 ( 0.250 -6.556 3.579) 7.474 3.550 ( -2.208 -6.110 -1.369) 6.639 4.167 ( -9.423 1.613 -1.184) 9.633 4.423 ( 11.349 -4.177 4.976) 13.077 4.578 ( 8.138 -8.047 -5.669) 12.772 5.056 ( -1.460 -0.587 0.257) 1.595 5.143 ( -1.692 -7.140 -7.977) 10.839 5.774 ( 2.493 5.987 -0.983) 6.560 5.871 ( -6.973 2.552 8.148) 11.024 7.335 ( -9.469 -2.280 8.944) 13.223 8.111 ( -3.044 -4.611 -3.979) 6.809 8.402 ( -17.460 -1.125 11.077) 20.708 8.786 ( -3.447 -0.709 -2.518) 4.327 9.536 ( -1.687 2.070 1.952) 3.307 9.715 ( -6.874 -7.423 2.138) 10.340 10.212 ( 4.591 2.218 3.656) 6.274 10.911 ( 3.822 3.643 4.725) 7.085 11.574 ( -3.610 0.910 -4.529) 5.863 12.324 ( 9.761 8.616 -12.779) 18.243 12.888 ( -13.617 3.322 2.183) 14.185 13.312 ( -3.310 -1.817 6.991) 7.945 13.937 ( -0.295 -0.567 -7.312) 7.340 14.214 ( 7.543 5.204 2.138) 9.410 15.546 ( 14.497 -13.254 -4.723) 20.203 16.525 ( -6.487 -0.584 14.472) 15.870 19.253 ( -1.934 -4.863 -7.861) 9.444 19.567 ( 10.620 1.602 6.604) 12.608 19.900 ( 6.156 4.514 4.071) 8.652 20.537 ( 9.068 2.889 -16.905) 19.400 23.243 ( -16.771 -25.750 6.535) 31.417 23.982 ( 10.901 5.384 -6.162) 13.630 24.575 ( 1.884 4.980 9.957) 11.291 ======================= Grid point 383 (177/432) ======================= q-point: (-0.27 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -23.729 9.852 6.597) 26.527 1.533 ( -20.210 12.071 10.309) 25.699 2.825 ( -28.863 12.338 26.925) 41.355 3.246 ( -2.004 -4.587 -2.447) 5.572 3.462 ( -7.693 -4.985 -2.803) 9.586 3.642 ( 6.100 -1.475 -0.175) 6.278 4.037 ( -8.271 -1.798 2.657) 8.871 4.630 ( -0.429 -10.207 -5.109) 11.422 4.691 ( 10.616 -3.386 3.134) 11.575 4.990 ( -1.536 1.463 -7.536) 7.829 5.138 ( 4.789 -2.667 -0.688) 5.525 5.776 ( 6.714 4.633 -0.971) 8.215 5.914 ( -3.662 1.327 14.223) 14.747 7.327 ( -10.103 -5.823 6.708) 13.452 8.004 ( -13.131 1.124 2.519) 13.417 8.397 ( -8.471 -11.528 6.371) 15.660 8.723 ( 2.922 2.057 -4.852) 6.026 9.549 ( 0.151 0.741 4.683) 4.744 9.717 ( -3.516 -4.996 1.329) 6.252 10.226 ( 5.173 12.017 -1.875) 13.217 10.966 ( -10.477 -12.225 -0.848) 16.123 11.427 ( -3.182 8.585 -3.392) 9.763 12.240 ( 9.163 6.528 -11.581) 16.146 12.733 ( -12.470 0.296 3.734) 13.020 13.298 ( -4.677 4.444 -1.975) 6.747 13.747 ( -5.114 7.293 -9.283) 12.865 14.280 ( 5.112 1.177 0.070) 5.246 15.751 ( 11.482 -11.025 -8.786) 18.182 16.908 ( 12.736 -9.457 38.416) 41.562 19.133 ( 0.643 2.430 -13.058) 13.298 19.698 ( 3.328 -0.942 0.206) 3.465 19.993 ( 4.398 8.206 8.377) 12.524 20.489 ( 13.628 -0.576 -15.509) 20.654 23.296 ( -20.561 -31.833 3.487) 38.056 24.016 ( 10.038 3.982 -5.154) 11.966 24.598 ( -2.432 8.383 1.431) 8.845 ======================= Grid point 384 (178/432) ======================= q-point: (-0.18 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -11.251 8.838 19.123) 23.883 1.361 ( -15.527 11.459 18.004) 26.392 2.684 ( -32.337 5.566 32.802) 46.397 3.289 ( 5.664 -2.403 0.963) 6.228 3.340 ( -9.949 -2.287 -2.863) 10.603 3.685 ( 8.446 1.322 -7.078) 11.099 4.059 ( -4.480 -4.508 9.149) 11.140 4.556 ( -6.100 -6.437 -11.240) 14.317 4.769 ( -2.538 -1.452 -6.695) 7.305 4.935 ( 4.595 2.047 1.529) 5.258 5.302 ( 12.921 -1.539 3.915) 13.589 5.851 ( 8.450 2.070 0.954) 8.752 6.067 ( -1.463 -0.554 19.726) 19.788 7.314 ( -7.516 -7.200 1.390) 10.501 7.860 ( -13.713 0.060 5.263) 14.688 8.352 ( -12.562 -2.066 -2.142) 12.909 8.827 ( 5.860 -9.240 8.443) 13.820 9.626 ( 0.755 -3.598 4.469) 5.787 9.733 ( 1.141 2.203 0.719) 2.583 10.144 ( 6.112 14.557 -2.827) 16.039 10.699 ( -33.384 -11.186 -8.274) 36.167 11.318 ( 2.847 14.861 -1.140) 15.174 12.217 ( 9.915 0.634 -9.891) 14.019 12.640 ( -10.230 -2.408 4.427) 11.404 13.053 ( -7.806 15.809 -4.265) 18.140 13.619 ( -3.681 1.480 2.154) 4.514 14.324 ( 2.874 -0.335 -1.258) 3.155 15.817 ( 6.682 -7.461 -14.608) 17.711 17.776 ( 31.933 -18.959 34.608) 50.763 18.959 ( 6.314 9.565 -15.430) 19.221 19.687 ( -4.055 -4.580 -4.893) 7.833 20.014 ( -1.988 8.741 3.838) 9.751 20.583 ( 20.033 -0.533 -7.612) 21.437 23.284 ( -29.041 -37.073 -2.339) 47.151 24.065 ( 9.563 2.461 -4.380) 10.802 24.347 ( -12.982 19.090 -6.673) 24.031 ======================= Grid point 385 (179/432) ======================= q-point: (-0.09 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -8.149 5.545 23.512) 25.494 1.420 ( 1.544 3.584 25.095) 25.397 2.655 ( -20.091 2.691 32.252) 38.093 3.196 ( -6.961 -0.753 -4.235) 8.183 3.443 ( 7.111 -1.488 6.823) 9.967 3.717 ( 10.265 0.209 -7.798) 12.892 4.144 ( -4.789 -3.337 8.758) 10.525 4.351 ( -8.278 -0.980 -12.923) 15.378 4.630 ( -0.613 0.172 -11.166) 11.184 5.013 ( 1.966 0.882 4.416) 4.913 5.522 ( 10.840 -1.069 2.923) 11.278 5.966 ( 6.303 0.099 3.053) 7.004 6.336 ( 0.932 -1.872 26.810) 26.891 7.268 ( -4.489 -4.601 -4.949) 8.113 7.727 ( -13.063 -0.128 -1.115) 13.111 8.175 ( -21.509 1.835 17.338) 27.688 9.134 ( 4.144 -16.998 11.972) 21.200 9.605 ( -5.055 17.015 1.116) 17.785 9.753 ( -0.254 -12.924 -1.025) 12.967 10.053 ( -4.167 19.561 -1.023) 20.026 10.421 ( -4.853 -12.692 5.066) 14.502 11.172 ( -1.192 14.033 -5.118) 14.985 12.210 ( 5.988 -0.256 -12.346) 13.724 12.592 ( -6.010 -4.655 0.043) 7.602 12.884 ( -4.551 10.435 10.216) 15.296 13.616 ( -0.929 0.528 3.280) 3.450 14.328 ( 0.239 -0.385 -2.295) 2.339 15.728 ( 1.591 -3.593 -18.606) 19.016 18.578 ( 16.057 -19.499 -2.465) 25.379 18.915 ( 31.710 13.379 0.392) 34.419 19.561 ( -8.745 -5.685 -9.626) 14.193 19.894 ( -6.428 6.456 -2.810) 9.534 20.832 ( 22.185 0.301 1.213) 22.220 22.961 ( -49.798 -21.451 -10.585) 55.245 23.961 ( -11.184 15.651 2.895) 19.453 24.130 ( 8.942 0.867 -3.923) 9.803 ======================= Grid point 387 (180/432) ======================= q-point: ( 0.09 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 4.245 -0.000 22.789) 23.181 2.247 ( 10.137 -0.000 14.209) 17.454 3.080 ( 7.800 -0.000 -4.255) 8.885 3.356 ( -8.003 0.000 0.197) 8.005 3.608 ( 8.583 -0.000 -5.699) 10.302 3.712 ( -8.002 0.000 -10.179) 12.948 3.735 ( 4.965 -0.000 -8.835) 10.134 3.903 ( 3.950 -0.000 1.502) 4.226 4.881 ( 3.906 -0.000 8.593) 9.440 5.053 ( -5.696 0.000 10.320) 11.788 5.541 ( -6.471 0.000 -4.854) 8.089 6.094 ( -5.277 0.000 4.184) 6.734 6.808 ( -8.751 0.000 -6.796) 11.080 7.155 ( -7.911 0.000 9.895) 12.668 7.708 ( -10.081 0.000 43.004) 44.170 8.350 ( -18.647 0.000 26.536) 32.432 9.275 ( -3.231 0.000 -0.352) 3.250 9.621 ( -15.461 0.000 -4.170) 16.014 9.902 ( 15.188 -0.000 12.610) 19.740 10.145 ( 10.703 -0.000 6.716) 12.636 10.594 ( -6.679 0.000 -9.701) 11.778 11.639 ( 26.413 -0.000 11.269) 28.717 11.914 ( 5.030 -0.000 -11.665) 12.703 12.301 ( 5.528 -0.000 -13.772) 14.841 13.197 ( -3.953 0.000 12.706) 13.307 13.840 ( 5.567 -0.000 1.049) 5.665 14.122 ( -5.933 0.000 -1.445) 6.107 14.985 ( -6.183 0.000 -13.629) 14.966 18.442 ( -15.711 0.000 -20.701) 25.988 18.614 ( 14.397 -0.000 -9.696) 17.358 19.319 ( -10.109 0.000 -3.674) 10.756 19.856 ( 0.569 -0.000 -3.067) 3.119 21.393 ( -13.826 0.000 -2.568) 14.063 21.897 ( 15.027 -0.000 12.614) 19.620 23.794 ( -0.565 0.000 0.863) 1.031 24.340 ( 5.872 -0.000 -0.983) 5.953 ======================= Grid point 388 (181/432) ======================= q-point: ( 0.18 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 4.321 6.713 14.232) 16.318 2.584 ( 9.936 -8.574 12.510) 18.131 3.112 ( 2.061 4.661 -3.298) 6.071 3.189 ( -4.403 -3.197 -7.031) 8.890 3.502 ( -4.212 5.065 -9.286) 11.385 3.568 ( 4.505 10.599 -5.192) 12.633 3.813 ( 6.107 -14.470 -7.061) 17.220 4.007 ( 6.323 -3.555 3.100) 7.888 4.973 ( -2.682 0.456 6.025) 6.611 5.121 ( -4.044 -0.755 11.051) 11.792 5.346 ( -11.808 0.680 -7.755) 14.143 6.068 ( -3.933 1.377 3.474) 5.425 6.606 ( -11.416 0.362 -5.430) 12.647 7.160 ( -6.027 -0.414 8.528) 10.451 8.047 ( -11.868 0.551 40.934) 42.623 8.372 ( -17.597 3.148 22.746) 28.930 9.191 ( -6.549 8.624 0.821) 10.860 9.391 ( -14.732 -14.419 -6.848) 21.722 10.155 ( 6.253 15.020 6.661) 17.580 10.289 ( 0.098 1.630 0.047) 1.633 10.558 ( 11.651 -14.487 2.812) 18.802 11.799 ( 4.243 7.594 -13.884) 16.384 12.116 ( 23.715 -0.615 10.400) 25.903 12.309 ( 14.741 -2.375 -7.519) 16.717 13.291 ( -4.338 -4.657 10.209) 12.031 13.900 ( 2.459 -1.132 -2.602) 3.755 14.026 ( -6.192 -0.262 -0.448) 6.214 14.788 ( -3.598 0.737 -8.040) 8.839 17.992 ( -15.332 0.119 -22.496) 27.224 18.723 ( 14.988 0.537 -4.987) 15.805 19.173 ( -7.029 -0.977 -2.356) 7.478 19.784 ( -7.621 -0.547 0.320) 7.647 21.225 ( -1.122 4.284 -7.932) 9.085 22.224 ( 8.784 -4.381 13.827) 16.957 23.821 ( 3.795 -0.883 -0.664) 3.953 24.400 ( 4.263 0.905 0.317) 4.369 ======================= Grid point 389 (182/432) ======================= q-point: ( 0.27 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( -1.583 9.061 2.590) 9.556 2.845 ( -1.844 -9.823 1.625) 10.126 3.046 ( 4.752 1.877 -0.351) 5.121 3.149 ( -0.276 2.289 2.058) 3.091 3.309 ( -3.221 8.943 -4.031) 10.325 3.554 ( 6.906 -0.221 -3.281) 7.649 3.925 ( 6.936 -13.248 -6.842) 16.445 4.176 ( 7.541 -3.269 3.157) 8.804 4.935 ( -10.615 -0.830 1.675) 10.779 5.055 ( -12.874 0.941 -9.610) 16.093 5.183 ( -6.306 -0.616 8.546) 10.638 6.045 ( -1.499 3.452 1.968) 4.247 6.382 ( -13.380 1.418 -3.649) 13.941 7.201 ( -4.090 -2.110 8.314) 9.502 8.244 ( -8.241 2.859 16.235) 18.430 8.406 ( -18.418 2.115 33.035) 37.881 8.985 ( -17.662 -3.091 -0.833) 17.950 9.340 ( -6.985 -9.090 1.923) 11.624 9.982 ( -11.887 -1.354 -7.442) 14.089 10.303 ( 7.272 17.446 1.849) 18.991 10.964 ( 14.962 -14.374 8.924) 22.585 11.620 ( 8.410 18.492 -11.316) 23.253 12.369 ( 16.157 2.910 -4.410) 16.999 12.634 ( 20.216 -4.917 9.519) 22.880 13.390 ( -3.924 -5.881 8.850) 11.327 13.821 ( -5.927 3.360 -3.042) 7.461 13.985 ( -2.911 -5.638 -2.570) 6.846 14.727 ( 3.261 -2.943 -3.466) 5.595 17.534 ( -15.406 -0.007 -22.746) 27.472 18.883 ( 13.366 1.143 1.456) 13.493 19.108 ( -1.327 -3.335 -2.492) 4.369 19.712 ( -5.943 -1.656 2.204) 6.551 21.090 ( 3.462 6.411 -11.467) 13.586 22.504 ( 1.539 -8.331 14.033) 16.392 23.887 ( 7.831 0.109 -2.057) 8.097 24.443 ( 2.382 2.283 1.972) 3.844 ======================= Grid point 390 (183/432) ======================= q-point: (-0.64 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -7.489 9.936 -1.837) 12.577 2.718 ( -13.314 -1.652 -6.890) 15.082 3.126 ( 1.814 2.758 4.976) 5.972 3.136 ( 0.772 5.391 -1.201) 5.577 3.317 ( 4.718 -5.052 3.838) 7.906 3.640 ( 4.879 -6.109 -0.509) 7.835 4.077 ( 8.926 -7.834 -2.455) 12.127 4.276 ( 1.490 3.046 2.242) 4.065 4.682 ( -16.127 -1.396 -9.515) 18.777 4.903 ( -7.253 -5.847 0.063) 9.316 5.169 ( -6.766 -0.775 3.191) 7.521 6.006 ( -0.190 5.776 -0.130) 5.781 6.162 ( -13.505 2.077 -0.737) 13.684 7.260 ( -5.029 -3.509 7.931) 10.025 8.208 ( -1.579 4.658 -2.498) 5.516 8.521 ( -21.560 -2.473 29.322) 36.479 8.818 ( -20.442 -8.900 8.180) 23.749 9.358 ( -6.724 -6.782 4.573) 10.589 9.792 ( -10.276 -7.494 -5.491) 13.853 10.211 ( 1.322 15.435 -2.092) 15.632 11.331 ( 12.210 -7.742 6.356) 15.793 11.475 ( 12.986 27.056 -5.084) 30.439 12.473 ( 13.491 3.403 -7.191) 15.662 12.984 ( 13.178 -1.969 5.916) 14.578 13.436 ( -11.373 2.708 9.688) 15.184 13.731 ( 0.238 -3.650 -0.960) 3.781 13.976 ( -0.747 -5.411 -0.268) 5.469 14.834 ( 9.754 -9.545 -3.247) 14.028 17.084 ( -15.452 0.748 -19.789) 25.118 19.072 ( 6.098 -1.453 5.655) 8.442 19.143 ( 8.824 -2.772 -2.043) 9.472 19.719 ( 0.694 -2.024 2.610) 3.375 20.942 ( 4.216 7.197 -13.680) 16.022 22.712 ( -6.320 -12.552 12.568) 18.854 23.971 ( 10.603 2.389 -3.102) 11.303 24.475 ( 0.912 3.099 4.422) 5.476 ======================= Grid point 391 (184/432) ======================= q-point: (-0.55 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( -11.841 10.513 1.529) 15.909 2.427 ( -16.970 4.163 -6.884) 18.780 3.133 ( 3.055 1.499 0.473) 3.436 3.193 ( 1.388 -0.920 6.105) 6.328 3.412 ( -1.168 -7.307 -0.710) 7.434 3.698 ( -8.960 -0.727 1.256) 9.077 4.134 ( 0.252 4.460 6.133) 7.587 4.338 ( 9.832 -4.492 -2.623) 11.124 4.420 ( -12.405 -3.185 -7.205) 14.695 4.923 ( -0.597 -10.141 -0.815) 10.191 5.103 ( -6.835 -2.366 -0.604) 7.258 5.943 ( 0.818 7.337 -1.606) 7.555 5.992 ( -11.285 2.117 3.252) 11.934 7.292 ( -9.527 -4.619 8.025) 13.285 8.098 ( -0.920 0.117 -8.948) 8.996 8.511 ( -24.098 -3.053 18.330) 30.431 8.775 ( -13.498 -6.991 10.386) 18.410 9.369 ( -8.667 -7.722 4.450) 12.432 9.730 ( -6.426 -11.141 -0.742) 12.883 10.086 ( 0.064 9.462 -0.335) 9.468 11.354 ( 12.315 30.798 -0.887) 33.181 11.570 ( 8.765 -0.557 2.462) 9.121 12.501 ( 10.805 5.312 -9.446) 15.303 13.113 ( 3.042 0.107 -5.302) 6.114 13.307 ( -15.150 6.363 13.265) 21.118 13.795 ( -0.906 -9.282 -1.015) 9.381 14.118 ( 10.435 -1.183 7.259) 12.766 15.042 ( 13.325 -14.583 -5.540) 20.515 16.698 ( -14.081 1.537 -10.553) 17.664 19.148 ( 2.527 -6.438 -4.241) 8.113 19.360 ( 13.106 1.756 8.903) 15.941 19.816 ( 7.604 -0.701 2.137) 7.929 20.773 ( 3.780 6.689 -15.139) 16.977 22.826 ( -13.758 -16.715 9.203) 23.524 24.045 ( 10.966 5.008 -3.919) 12.676 24.528 ( 0.704 2.293 7.607) 7.976 ======================= Grid point 392 (185/432) ======================= q-point: (-0.45 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -15.282 11.179 7.000) 20.187 2.063 ( -19.394 8.900 -4.329) 21.773 3.159 ( 4.247 2.822 -1.239) 5.247 3.337 ( 1.517 -5.607 8.049) 9.926 3.419 ( -17.239 3.724 4.162) 18.121 3.432 ( -12.017 -2.373 1.217) 12.310 4.180 ( -10.010 -0.537 -4.372) 10.936 4.320 ( 6.827 -6.714 4.556) 10.604 4.478 ( 8.216 -4.185 -2.072) 9.450 4.995 ( 0.957 -8.659 -2.032) 8.945 5.033 ( -4.345 -3.455 -2.247) 5.989 5.882 ( 2.047 6.775 -1.348) 7.205 5.913 ( -6.613 2.402 7.174) 10.048 7.263 ( -16.500 -6.482 9.247) 19.994 8.017 ( 0.831 -5.089 -8.455) 9.903 8.368 ( -25.056 -3.036 11.051) 27.553 8.789 ( -4.203 -0.719 5.954) 7.324 9.363 ( -10.163 -10.610 3.234) 15.044 9.740 ( -3.582 -5.022 0.432) 6.184 10.097 ( 0.610 -5.135 4.270) 6.706 11.239 ( 8.882 30.380 0.597) 31.658 11.640 ( 4.485 5.957 -0.707) 7.489 12.462 ( 9.215 7.109 -11.369) 16.270 12.970 ( -10.065 5.734 -1.362) 11.663 13.293 ( -5.672 -0.270 9.113) 10.737 13.837 ( -0.460 -9.408 -4.677) 10.517 14.311 ( 9.913 4.888 2.226) 11.274 15.291 ( 14.155 -16.689 -6.329) 22.780 16.515 ( -8.343 -0.534 8.508) 11.928 19.168 ( 3.421 -4.905 -7.648) 9.709 19.604 ( 10.783 2.493 7.609) 13.431 19.963 ( 11.530 2.765 2.829) 12.190 20.599 ( 3.907 4.291 -15.823) 16.854 22.846 ( -19.665 -21.048 5.811) 29.385 24.083 ( 9.423 6.369 -4.322) 12.167 24.621 ( 0.606 0.902 8.483) 8.553 ======================= Grid point 393 (186/432) ======================= q-point: (-0.36 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -18.225 13.691 7.446) 23.979 1.738 ( -16.485 12.092 7.985) 21.948 3.069 ( -26.676 13.885 14.166) 33.243 3.189 ( 3.849 -1.129 -2.534) 4.744 3.365 ( -7.870 -5.596 0.634) 9.678 3.572 ( 4.351 -6.617 6.719) 10.386 4.004 ( -8.944 -2.264 -3.795) 9.976 4.460 ( -0.605 -9.601 -3.375) 10.195 4.633 ( 8.189 -3.467 4.186) 9.829 4.981 ( -0.302 -2.289 -4.996) 5.504 5.075 ( 3.678 -4.974 1.638) 6.400 5.861 ( 5.693 5.261 -2.212) 8.061 5.940 ( -4.107 1.681 12.794) 13.541 7.194 ( -20.871 -9.982 10.819) 25.540 7.974 ( -4.829 -4.348 -5.384) 8.438 8.235 ( -14.390 -7.388 8.107) 18.094 8.790 ( -0.240 5.222 2.459) 5.777 9.367 ( -9.091 -13.782 2.337) 16.675 9.747 ( -1.473 -1.827 2.958) 3.776 10.207 ( -1.752 -10.638 0.908) 10.819 11.066 ( 0.033 24.697 -2.146) 24.790 11.616 ( 5.533 12.715 1.082) 13.909 12.376 ( 8.696 8.566 -12.751) 17.651 12.789 ( -11.373 5.581 3.445) 13.128 13.323 ( -3.002 -0.359 4.262) 5.225 13.791 ( -2.278 -2.914 -10.856) 11.469 14.344 ( 4.866 6.184 -2.458) 8.244 15.521 ( 11.480 -15.937 -8.679) 21.473 16.747 ( 5.176 -9.031 30.234) 31.976 19.145 ( 5.817 -1.113 -11.675) 13.091 19.722 ( 4.279 3.562 -0.637) 5.604 20.128 ( 8.829 7.612 8.087) 14.188 20.479 ( 9.505 -0.501 -15.594) 18.270 22.804 ( -24.687 -25.909 3.917) 36.001 24.099 ( 8.398 5.770 -4.159) 11.005 24.679 ( -2.577 1.757 3.807) 4.922 ======================= Grid point 394 (187/432) ======================= q-point: (-0.27 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -9.292 15.077 16.506) 24.209 1.573 ( -14.245 12.950 15.903) 24.970 2.817 ( -24.865 9.188 19.895) 33.144 3.245 ( 2.356 -3.801 -2.150) 4.962 3.301 ( -5.052 -0.349 2.866) 5.819 3.700 ( 5.474 0.212 -1.744) 5.749 3.950 ( -6.259 -8.176 5.571) 11.707 4.434 ( -3.051 -7.532 -8.524) 11.777 4.724 ( -2.407 -3.632 -2.484) 5.016 4.972 ( 3.367 2.055 1.385) 4.180 5.252 ( 11.130 -4.741 4.195) 12.804 5.895 ( 7.170 3.013 -0.896) 7.829 6.060 ( -2.245 -0.147 17.304) 17.449 7.140 ( -20.560 -13.143 11.070) 26.795 7.846 ( -11.748 -1.585 0.685) 11.874 8.264 ( -6.769 -8.356 3.505) 11.311 8.774 ( 0.317 3.313 4.085) 5.269 9.417 ( -5.486 -14.937 2.076) 16.047 9.815 ( 1.788 -2.156 5.998) 6.620 10.201 ( -7.231 -6.529 -4.050) 10.551 10.772 ( -7.601 22.903 -4.381) 24.526 11.608 ( 8.273 18.049 2.227) 19.979 12.275 ( 8.385 6.638 -12.576) 16.508 12.656 ( -10.193 3.492 4.304) 11.603 13.258 ( -3.754 7.868 -3.724) 9.480 13.650 ( -3.343 1.511 -2.791) 4.609 14.332 ( 1.885 1.870 -1.338) 2.973 15.638 ( 6.774 -13.444 -14.004) 20.561 17.427 ( 19.341 -20.851 34.147) 44.439 19.085 ( 11.045 4.042 -15.359) 19.346 19.659 ( -2.677 2.028 -7.021) 7.783 20.155 ( -3.232 7.355 1.667) 8.204 20.577 ( 21.159 0.117 -4.731) 21.682 22.714 ( -30.925 -29.749 2.545) 42.987 24.120 ( 8.098 4.138 -3.886) 9.889 24.565 ( -9.637 7.699 -3.589) 12.846 ======================= Grid point 395 (188/432) ======================= q-point: (-0.18 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -7.797 11.999 20.965) 25.383 1.529 ( -1.001 8.954 21.834) 23.620 2.741 ( -13.441 6.966 24.558) 28.850 3.170 ( -6.963 -2.469 -2.884) 7.931 3.410 ( 7.443 -1.705 4.677) 8.954 3.723 ( 5.063 0.579 -3.669) 6.280 4.037 ( -4.980 -9.107 6.181) 12.081 4.323 ( -4.566 -2.322 -9.521) 10.811 4.630 ( -1.757 -0.436 -8.453) 8.644 5.041 ( 2.005 2.239 5.412) 6.190 5.482 ( 10.024 -3.931 3.102) 11.205 5.971 ( 5.599 0.419 1.436) 5.795 6.287 ( 0.306 -3.350 23.321) 23.562 7.121 ( -16.202 -12.355 9.227) 22.366 7.722 ( -11.537 -0.421 0.991) 11.587 8.204 ( -14.963 -0.144 8.361) 17.142 8.888 ( 0.749 -9.222 8.927) 12.857 9.505 ( -3.311 -14.732 0.823) 15.122 9.908 ( 3.787 12.713 4.046) 13.869 10.130 ( -9.135 -16.962 2.025) 19.371 10.446 ( -1.924 26.332 -1.383) 26.438 11.521 ( 5.748 24.538 -3.346) 25.423 12.212 ( 7.271 1.413 -12.323) 14.377 12.544 ( -9.357 -0.390 1.320) 9.458 13.096 ( -2.939 12.564 2.954) 13.237 13.631 ( -0.263 1.144 3.375) 3.573 14.320 ( -0.458 -0.265 -1.817) 1.892 15.611 ( 1.842 -10.074 -18.080) 20.778 18.199 ( 18.834 -24.264 14.674) 34.041 19.083 ( 22.361 4.889 -12.025) 25.856 19.479 ( -8.679 -1.301 -10.812) 13.926 20.018 ( -5.658 6.574 -3.917) 9.517 20.848 ( 21.485 2.026 3.286) 21.829 22.513 ( -39.604 -26.675 0.571) 47.753 24.156 ( 7.633 2.445 -3.425) 8.716 24.250 ( -13.631 14.767 -4.120) 20.515 ======================= Grid point 396 (189/432) ======================= q-point: (-0.09 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -4.043 5.327 24.220) 25.127 1.748 ( 4.719 5.703 19.751) 21.093 2.900 ( 1.529 3.269 22.975) 23.256 3.088 ( -1.991 0.185 -1.783) 2.679 3.579 ( 6.249 -4.455 3.876) 8.598 3.741 ( 1.536 -1.343 -2.469) 3.202 4.041 ( -3.974 -5.367 -7.742) 10.225 4.147 ( -6.632 2.783 -7.623) 10.480 4.579 ( 4.270 0.289 -0.662) 4.331 5.076 ( -1.756 2.605 3.774) 4.910 5.619 ( 3.468 -2.412 0.450) 4.248 6.053 ( 1.580 -1.147 3.525) 4.029 6.645 ( 2.599 -6.213 27.952) 28.751 7.113 ( -9.582 -5.351 4.615) 11.906 7.540 ( -16.351 1.729 2.894) 16.695 8.176 ( -18.065 -1.244 25.222) 31.049 9.087 ( -0.397 -15.579 6.052) 16.718 9.577 ( -3.472 -12.903 -0.744) 13.383 9.836 ( 3.227 21.021 7.488) 22.547 10.100 ( -6.891 11.194 2.365) 13.356 10.481 ( 11.741 -12.199 4.100) 17.421 11.312 ( 5.521 26.914 -4.934) 27.914 12.119 ( 2.707 1.888 -13.310) 13.713 12.470 ( -4.072 -5.678 -4.059) 8.081 13.059 ( -1.465 10.245 11.281) 15.308 13.676 ( 2.697 1.999 3.846) 5.106 14.279 ( -2.748 -0.767 -2.437) 3.752 15.460 ( -2.467 -6.368 -19.498) 20.660 18.520 ( 9.929 -8.409 -9.572) 16.153 19.211 ( -13.085 -2.720 -14.290) 19.566 19.373 ( 24.603 -8.340 -3.173) 26.171 19.832 ( -2.716 8.674 -5.937) 10.856 21.170 ( 19.228 0.434 7.805) 20.757 22.133 ( -42.116 -12.372 0.808) 43.903 23.956 ( -9.690 11.160 1.000) 14.813 24.208 ( 7.552 0.871 -2.975) 8.163 ======================= Grid point 399 (190/432) ======================= q-point: ( 0.18 0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 0.566 -0.000 2.984) 3.038 2.706 ( -1.714 0.000 2.351) 2.909 3.062 ( 5.265 -0.000 -1.257) 5.413 3.173 ( -1.103 0.000 2.073) 2.348 3.415 ( -2.094 0.000 -2.235) 3.063 3.559 ( -1.170 0.000 -10.866) 10.929 3.779 ( 11.436 -0.000 -2.162) 11.638 4.142 ( 9.136 -0.000 3.691) 9.853 4.933 ( -10.617 0.000 2.640) 10.941 5.058 ( -14.803 0.000 -11.030) 18.461 5.179 ( -5.403 0.000 8.381) 9.971 6.074 ( -1.052 0.000 1.906) 2.177 6.399 ( -12.650 0.000 -3.333) 13.082 7.177 ( -4.668 0.000 7.431) 8.776 8.269 ( -11.742 0.000 24.829) 27.466 8.437 ( -21.955 0.000 33.458) 40.019 8.924 ( -17.163 0.000 -14.191) 22.270 9.282 ( -3.705 0.000 7.883) 8.710 9.960 ( -14.077 0.000 -10.166) 17.364 10.532 ( 3.389 -0.000 -3.847) 5.127 10.774 ( 21.138 -0.000 15.866) 26.430 11.792 ( 12.385 -0.000 -12.215) 17.395 12.412 ( 15.774 -0.000 -6.678) 17.129 12.573 ( 21.153 -0.000 13.876) 25.298 13.328 ( -4.092 0.000 10.490) 11.260 13.855 ( -1.231 0.000 -6.994) 7.101 13.930 ( -7.134 0.000 0.379) 7.145 14.701 ( 1.271 -0.000 -4.749) 4.916 17.534 ( -15.438 0.000 -22.461) 27.255 18.893 ( 13.692 -0.000 1.100) 13.737 19.078 ( -1.971 0.000 -2.613) 3.273 19.698 ( -5.879 0.000 1.929) 6.187 21.149 ( 3.500 -0.000 -12.139) 12.634 22.430 ( 0.646 -0.000 14.523) 14.538 23.887 ( 8.141 -0.000 -1.191) 8.227 24.462 ( 2.765 -0.000 1.695) 3.243 ======================= Grid point 400 (191/432) ======================= q-point: (-0.73 0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( -5.071 9.650 -4.717) 11.878 2.637 ( -8.327 -7.311 -6.828) 13.016 3.147 ( -3.652 1.510 1.404) 4.194 3.224 ( 7.364 -1.026 5.959) 9.528 3.326 ( -3.034 9.471 0.018) 9.945 3.504 ( 0.951 -9.904 -2.944) 10.376 3.971 ( 14.203 -3.576 1.083) 14.686 4.298 ( 8.091 -0.317 1.692) 8.272 4.700 ( -18.038 3.882 -7.444) 19.896 4.805 ( -13.586 -5.787 -1.530) 14.846 5.164 ( -6.336 -0.030 2.452) 6.794 6.066 ( -0.984 1.418 -0.562) 1.815 6.208 ( -11.240 2.420 -0.171) 11.499 7.198 ( -6.073 -2.706 6.254) 9.128 8.317 ( -6.980 6.710 9.175) 13.339 8.497 ( -24.304 0.676 27.273) 36.537 8.618 ( -17.779 -11.922 -1.565) 21.463 9.320 ( -6.117 -0.038 9.528) 11.323 9.686 ( -12.639 -3.698 -8.556) 15.704 10.432 ( -0.519 8.231 -7.386) 11.071 11.222 ( 17.809 -4.217 11.918) 21.840 11.831 ( 16.731 12.456 -6.949) 21.986 12.526 ( 14.117 2.654 -6.673) 15.838 12.944 ( 11.780 -2.484 8.395) 14.677 13.432 ( -4.422 -1.507 14.617) 15.345 13.713 ( -5.129 0.604 -7.284) 8.929 13.890 ( -0.122 -3.611 0.709) 3.681 14.717 ( 7.085 -3.789 -5.205) 9.573 17.093 ( -15.284 0.293 -19.071) 24.441 19.034 ( 0.895 -1.628 0.566) 1.942 19.134 ( 14.661 0.269 2.508) 14.876 19.693 ( 1.363 -0.895 2.268) 2.793 21.035 ( 3.596 3.180 -14.185) 14.975 22.561 ( -7.396 -4.867 12.793) 15.558 23.998 ( 10.546 0.788 -1.035) 10.626 24.510 ( 1.199 1.057 3.096) 3.484 ======================= Grid point 401 (192/432) ======================= q-point: (-0.64 0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -7.691 9.615 -2.801) 12.628 2.457 ( -10.990 -0.529 -7.865) 13.525 3.107 ( -3.320 -1.153 2.174) 4.132 3.237 ( -3.391 -1.092 -1.102) 3.729 3.330 ( -1.111 2.042 5.573) 6.038 3.621 ( 3.255 -7.294 1.110) 8.064 4.192 ( 10.032 -0.265 3.727) 10.705 4.333 ( -1.350 -1.470 -7.715) 7.969 4.373 ( -14.277 5.391 0.697) 15.277 4.742 ( -4.327 -11.089 0.629) 11.920 5.077 ( -7.479 -0.881 -1.510) 7.680 6.006 ( -6.222 0.982 0.878) 6.360 6.075 ( -3.862 6.148 0.433) 7.273 7.192 ( -10.888 -6.076 5.432) 13.600 8.147 ( -5.976 5.195 -9.014) 11.998 8.454 ( -24.985 -3.504 20.389) 32.438 8.611 ( -12.298 -10.176 13.059) 20.624 9.327 ( -8.774 0.515 9.115) 12.662 9.521 ( -10.306 -10.324 -3.703) 15.050 10.265 ( -0.215 8.790 -7.042) 11.265 11.558 ( 13.616 0.128 7.674) 15.630 11.842 ( 15.647 23.268 -3.025) 28.203 12.577 ( 10.164 4.201 -7.810) 13.489 13.099 ( 4.492 -2.180 -1.987) 5.374 13.413 ( -15.487 5.734 9.755) 19.180 13.637 ( -4.652 -8.809 -1.802) 10.123 14.079 ( 14.916 -2.778 8.464) 17.374 14.826 ( 11.394 -10.091 -7.717) 17.064 16.719 ( -13.945 0.873 -11.009) 17.789 19.065 ( 4.776 -3.342 -4.934) 7.637 19.386 ( 13.191 1.296 9.307) 16.196 19.800 ( 9.621 -1.010 1.954) 9.869 20.872 ( 2.042 4.654 -15.247) 16.072 22.601 ( -14.629 -9.581 9.204) 19.762 24.113 ( 10.333 2.943 -0.803) 10.774 24.553 ( 0.163 0.815 4.822) 4.893 ======================= Grid point 402 (193/432) ======================= q-point: (-0.55 0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -9.982 11.170 3.061) 15.290 2.196 ( -12.963 6.743 -4.857) 15.398 3.131 ( -0.229 -5.101 -1.178) 5.240 3.239 ( -3.905 -6.991 5.592) 9.767 3.317 ( -7.442 -1.702 2.715) 8.103 3.606 ( -7.260 8.227 1.220) 11.040 4.143 ( -9.075 -3.552 -7.746) 12.448 4.254 ( -1.542 -0.078 6.176) 6.366 4.423 ( 8.543 -2.503 1.502) 9.029 4.840 ( 1.623 -9.134 1.682) 9.428 4.976 ( -5.988 -3.363 -2.436) 7.287 5.947 ( -7.389 1.503 7.523) 10.651 5.994 ( 1.378 6.275 -2.827) 7.019 7.126 ( -18.929 -8.988 6.412) 21.913 7.966 ( -1.747 -0.911 -9.560) 9.760 8.322 ( -26.527 -2.060 13.548) 29.857 8.719 ( -3.898 -6.757 10.786) 13.311 9.284 ( -11.159 0.090 7.193) 13.276 9.498 ( -9.421 -17.004 0.754) 19.454 10.151 ( 2.333 6.382 -3.498) 7.643 11.741 ( 8.641 8.537 1.273) 12.214 11.781 ( 12.737 28.224 1.281) 30.991 12.551 ( 5.897 4.067 -8.730) 11.292 13.065 ( -0.333 4.742 -6.356) 7.937 13.300 ( -11.904 0.958 10.091) 15.634 13.653 ( -3.153 -11.996 -2.382) 12.630 14.370 ( 13.292 2.459 4.845) 14.360 15.010 ( 13.738 -15.828 -8.335) 22.555 16.508 ( -9.527 -0.250 4.018) 10.343 19.097 ( 7.116 -3.434 -8.730) 11.775 19.644 ( 10.787 2.071 9.256) 14.364 19.993 ( 15.963 0.946 1.989) 16.114 20.673 ( 0.364 4.256 -15.784) 16.351 22.550 ( -20.529 -13.865 5.841) 25.452 24.186 ( 8.041 5.593 -1.570) 9.920 24.616 ( -0.438 -1.146 6.107) 6.229 ======================= Grid point 403 (194/432) ======================= q-point: (-0.45 0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -11.991 14.848 7.927) 20.666 1.937 ( -11.559 11.600 4.080) 16.877 3.129 ( -5.054 -3.181 -1.721) 6.215 3.182 ( -13.872 -3.622 -0.512) 14.346 3.351 ( -2.519 -4.384 3.653) 6.238 3.508 ( -1.771 6.821 13.376) 15.119 3.966 ( -6.399 -1.521 -8.465) 10.720 4.318 ( -3.054 -7.196 0.889) 7.868 4.579 ( 6.302 -2.768 4.026) 7.974 4.930 ( 2.737 -3.177 -0.675) 4.247 4.969 ( -0.239 -7.529 2.635) 7.981 5.944 ( 0.564 4.036 0.612) 4.121 5.967 ( -1.689 1.832 8.011) 8.390 7.004 ( -25.607 -11.944 9.539) 29.822 7.894 ( 0.108 -4.188 -7.291) 8.409 8.151 ( -18.985 -2.930 8.532) 21.020 8.839 ( -0.793 -1.306 8.798) 8.930 9.206 ( -12.502 -3.660 5.073) 13.980 9.539 ( -10.465 -18.791 2.357) 21.637 10.141 ( 4.076 1.952 -0.470) 4.544 11.579 ( 4.792 31.935 -4.590) 32.617 11.833 ( 8.572 13.498 4.428) 16.591 12.485 ( 4.971 3.910 -9.091) 11.075 12.917 ( -5.204 9.653 -0.936) 11.006 13.301 ( -4.007 -2.399 5.991) 7.597 13.673 ( -1.916 -10.090 -5.990) 11.890 14.456 ( 6.391 6.573 -4.270) 10.113 15.234 ( 11.813 -17.736 -9.010) 23.137 16.619 ( 0.203 -6.148 23.022) 23.830 19.108 ( 8.943 -2.794 -12.719) 15.798 19.796 ( 5.454 4.635 2.117) 7.464 20.237 ( 16.310 5.110 5.928) 18.090 20.477 ( 2.863 0.539 -16.243) 16.502 22.439 ( -24.830 -17.538 4.565) 30.740 24.203 ( 6.221 6.438 -2.416) 9.273 24.674 ( -2.855 -1.919 4.104) 5.355 ======================= Grid point 404 (195/432) ======================= q-point: (-0.36 0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -7.591 17.048 13.437) 22.996 1.791 ( -10.475 13.570 12.953) 21.486 2.943 ( -15.711 5.100 6.319) 17.685 3.143 ( -4.260 -7.644 -2.215) 9.027 3.353 ( 0.439 4.001 3.313) 5.213 3.681 ( 1.002 -3.733 13.440) 13.985 3.826 ( -4.506 -2.931 -6.032) 8.080 4.313 ( -3.096 -6.834 -3.839) 8.428 4.660 ( -1.625 -3.641 -0.796) 4.066 5.000 ( 3.083 1.370 4.294) 5.461 5.135 ( 8.254 -9.197 4.661) 13.207 5.944 ( 4.859 2.631 -1.839) 5.824 6.060 ( -2.765 0.003 14.731) 14.988 6.897 ( -26.870 -14.970 13.808) 33.716 7.819 ( -7.748 -1.331 -0.927) 7.916 8.112 ( -6.073 -8.556 3.552) 11.077 8.881 ( -1.871 7.237 5.553) 9.312 9.177 ( -9.923 -12.518 5.608) 16.930 9.597 ( -9.363 -18.963 4.111) 21.545 10.178 ( 3.135 2.443 0.392) 3.994 11.273 ( 0.597 33.566 -5.949) 34.094 11.877 ( 8.012 13.590 4.201) 16.326 12.408 ( 6.394 7.102 -10.120) 13.919 12.757 ( -7.046 9.442 0.832) 11.811 13.325 ( -0.766 0.531 -0.049) 0.933 13.635 ( -2.245 -3.891 -3.982) 6.003 14.396 ( 1.278 5.554 -3.839) 6.872 15.380 ( 7.142 -16.894 -13.465) 22.754 17.113 ( 11.014 -16.057 32.094) 37.539 19.092 ( 11.071 -2.283 -17.022) 20.433 19.747 ( -0.474 7.485 -6.689) 10.050 20.244 ( -5.143 2.968 -4.922) 7.713 20.596 ( 23.891 2.223 0.303) 23.996 22.302 ( -27.824 -19.482 4.874) 34.314 24.200 ( 5.739 5.337 -2.885) 8.351 24.631 ( -7.870 0.895 -0.967) 7.980 ======================= Grid point 405 (196/432) ======================= q-point: (-0.27 0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -8.104 10.716 16.157) 21.013 1.749 ( -1.295 15.812 18.326) 24.239 2.856 ( -6.267 5.754 12.759) 15.335 3.111 ( -5.002 -4.469 -0.893) 6.767 3.400 ( 4.685 0.081 1.681) 4.978 3.747 ( -1.499 1.387 -0.168) 2.049 3.861 ( -3.122 -9.551 7.429) 12.496 4.274 ( -1.255 -3.514 -5.894) 6.975 4.614 ( -1.954 -1.295 -4.625) 5.185 5.082 ( 1.491 2.398 7.045) 7.590 5.382 ( 8.831 -8.054 3.802) 12.543 5.980 ( 4.393 0.623 -0.512) 4.466 6.235 ( -0.965 -2.831 19.398) 19.628 6.878 ( -22.781 -15.810 18.129) 33.130 7.717 ( -10.028 0.079 2.220) 10.271 8.131 ( -8.056 -7.909 2.161) 11.495 8.854 ( -3.111 3.977 7.319) 8.891 9.253 ( -6.375 -14.917 4.350) 16.795 9.733 ( -3.093 -19.765 6.410) 21.007 10.182 ( 2.594 9.825 3.182) 10.648 10.932 ( -0.282 31.822 -4.722) 32.172 11.887 ( 6.643 15.800 0.222) 17.141 12.302 ( 7.257 9.845 -11.697) 16.924 12.578 ( -9.382 5.221 -2.712) 11.074 13.262 ( -1.045 6.429 -0.619) 6.543 13.645 ( 0.950 0.145 4.078) 4.190 14.331 ( -1.568 1.946 -1.973) 3.184 15.400 ( 2.396 -14.689 -17.359) 22.866 17.799 ( 15.197 -22.527 24.794) 36.785 19.068 ( 12.243 -4.891 -18.745) 22.917 19.547 ( -2.838 7.905 -11.347) 14.117 20.088 ( -6.093 1.675 -5.738) 8.535 20.906 ( 21.725 4.735 5.611) 22.932 22.137 ( -29.592 -17.775 4.709) 34.840 24.205 ( 5.750 3.447 -3.040) 7.361 24.429 ( -12.369 6.719 -4.392) 14.745 ======================= Grid point 406 (197/432) ======================= q-point: (-0.18 0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -5.017 8.119 18.882) 21.157 1.884 ( 5.632 10.071 18.038) 21.413 2.935 ( 1.685 -0.012 6.612) 6.824 3.109 ( 0.256 2.125 7.233) 7.543 3.491 ( 5.238 -5.289 -2.040) 7.719 3.723 ( -4.727 -1.684 2.235) 5.493 3.926 ( -4.608 -6.269 0.980) 7.842 4.197 ( 0.913 2.690 -8.265) 8.740 4.586 ( 2.674 0.446 0.594) 2.775 5.132 ( -1.446 3.671 5.356) 6.653 5.553 ( 3.665 -5.649 1.089) 6.821 6.030 ( 1.303 -1.422 1.747) 2.602 6.528 ( 2.157 -7.133 22.975) 24.154 6.966 ( -15.030 -11.777 20.137) 27.750 7.569 ( -14.213 1.503 0.576) 14.304 8.124 ( -12.117 -5.276 13.297) 18.748 8.918 ( -0.841 -4.578 7.275) 8.637 9.341 ( -4.286 -14.675 1.864) 15.402 9.972 ( 1.535 -17.712 6.649) 18.982 10.168 ( 3.666 17.123 7.928) 19.222 10.657 ( 1.139 24.955 -1.475) 25.025 11.759 ( 5.402 23.519 -6.091) 24.888 12.182 ( 4.800 6.965 -11.784) 14.506 12.396 ( -7.181 -2.050 -5.737) 9.417 13.227 ( -0.035 8.308 6.471) 10.530 13.721 ( 3.876 3.235 5.613) 7.549 14.268 ( -3.771 -0.224 -1.969) 4.260 15.307 ( -1.738 -11.637 -18.931) 22.289 18.319 ( 11.498 -15.055 4.886) 19.563 19.052 ( -3.130 -11.988 -14.125) 18.789 19.371 ( 9.491 4.350 -11.286) 15.374 19.935 ( -3.272 3.367 -5.874) 7.520 21.199 ( 14.255 3.493 9.553) 17.512 21.930 ( -25.321 -10.389 3.068) 27.541 24.143 ( -11.611 9.666 -2.900) 15.384 24.230 ( 5.770 1.748 -2.934) 6.706 ======================= Grid point 407 (198/432) ======================= q-point: (-0.09 0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 0.819 2.988 20.098) 20.335 2.108 ( 9.285 8.081 16.973) 20.967 2.995 ( 4.057 -3.611 -3.580) 6.505 3.254 ( 4.663 1.469 11.403) 12.407 3.538 ( 0.296 -8.410 -9.321) 12.558 3.696 ( -3.609 -2.779 0.315) 4.566 3.887 ( -6.618 -1.542 1.007) 6.870 4.084 ( 6.707 9.665 -9.865) 15.353 4.697 ( 5.799 -0.623 7.438) 9.452 5.107 ( -5.198 4.551 5.418) 8.780 5.597 ( -1.899 -3.207 -1.541) 4.033 6.068 ( -2.781 -2.455 3.458) 5.071 6.840 ( -0.436 -8.156 11.011) 13.710 7.089 ( -7.576 -1.957 14.528) 16.501 7.434 ( -15.694 -1.227 20.564) 25.898 8.205 ( -14.534 -5.651 22.341) 27.245 9.052 ( 1.628 -9.775 3.496) 10.508 9.450 ( 0.765 -13.337 2.835) 13.657 10.089 ( -7.096 1.758 1.566) 7.476 10.178 ( 5.304 17.996 11.299) 21.901 10.563 ( 4.698 3.274 -0.441) 5.743 11.608 ( 12.340 21.494 -2.434) 24.904 12.031 ( -0.693 3.673 -10.875) 11.500 12.302 ( 1.318 -5.226 -10.623) 11.912 13.248 ( -0.650 8.543 9.786) 13.007 13.808 ( 5.358 4.875 4.674) 8.621 14.191 ( -5.301 -1.253 -2.055) 5.822 15.140 ( -4.478 -8.072 -17.415) 19.710 18.508 ( 11.523 -4.778 -8.145) 14.898 18.809 ( -14.209 -4.436 -16.193) 21.995 19.413 ( 0.527 -5.710 -5.449) 7.910 19.856 ( 6.277 2.774 -5.686) 8.912 21.373 ( -9.937 -6.157 9.686) 15.181 21.805 ( 2.305 4.357 3.396) 5.986 23.925 ( -6.813 7.391 -0.558) 10.067 24.272 ( 5.822 -0.020 -2.140) 6.203 ======================= Grid point 411 (199/432) ======================= q-point: ( 0.27 -0.73 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( -9.526 0.000 -4.778) 10.657 2.419 ( -4.211 0.000 -7.855) 8.913 3.108 ( -6.139 0.000 3.522) 7.077 3.189 ( -6.825 0.000 -3.647) 7.738 3.412 ( -7.464 0.000 6.948) 10.198 3.517 ( 12.857 -0.000 1.438) 12.937 4.180 ( 13.022 -0.000 4.550) 13.794 4.294 ( -5.387 0.000 -11.484) 12.684 4.543 ( -16.164 0.000 -1.865) 16.272 4.558 ( -1.641 0.000 6.728) 6.926 5.070 ( -7.835 0.000 -2.028) 8.094 6.013 ( -6.960 0.000 1.611) 7.144 6.133 ( -3.016 0.000 -0.672) 3.090 7.133 ( -11.564 0.000 4.738) 12.497 8.219 ( -9.676 0.000 -14.658) 17.564 8.402 ( -17.697 0.000 19.768) 26.532 8.518 ( -16.847 0.000 21.700) 27.472 9.336 ( -9.349 0.000 10.684) 14.197 9.430 ( -10.836 0.000 -5.877) 12.327 10.342 ( -1.196 0.000 -9.465) 9.540 11.559 ( 15.469 -0.000 9.885) 18.357 12.051 ( 16.976 -0.000 -4.440) 17.547 12.630 ( 12.233 -0.000 -8.026) 14.631 13.061 ( 1.378 -0.000 1.748) 2.226 13.485 ( -14.481 0.000 13.719) 19.947 13.536 ( -6.490 0.000 -8.283) 10.523 14.051 ( 17.378 -0.000 9.177) 19.652 14.736 ( 10.329 -0.000 -8.669) 13.484 16.726 ( -13.894 0.000 -11.204) 17.849 19.037 ( 5.560 -0.000 -5.160) 7.586 19.398 ( 13.182 -0.000 9.409) 16.195 19.790 ( 10.292 -0.000 1.949) 10.475 20.914 ( 1.552 -0.000 -15.629) 15.705 22.519 ( -14.910 0.000 9.452) 17.654 24.139 ( 10.114 -0.000 0.608) 10.133 24.560 ( -0.046 0.000 3.572) 3.572 ======================= Grid point 413 (200/432) ======================= q-point: (-0.64 0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -7.053 5.797 0.366) 9.137 2.276 ( -6.017 2.337 -5.167) 8.268 3.061 ( -5.537 -1.748 -0.674) 5.846 3.112 ( -6.953 -5.966 4.694) 10.294 3.339 ( -10.947 1.775 3.728) 11.700 3.673 ( 6.729 0.867 -0.887) 6.842 4.085 ( -6.988 -2.442 -7.694) 10.677 4.306 ( -10.110 4.023 2.049) 11.072 4.395 ( 8.207 -0.850 3.676) 9.033 4.709 ( 3.216 -5.325 7.751) 9.939 4.933 ( -7.846 -1.438 -3.712) 8.799 5.963 ( -7.410 0.470 7.164) 10.318 6.077 ( 0.074 2.963 -3.536) 4.614 7.002 ( -19.359 -4.563 4.861) 20.475 7.971 ( -3.778 0.767 -11.727) 12.344 8.300 ( -26.691 -0.649 16.330) 31.297 8.622 ( -4.161 -3.470 15.057) 16.002 9.283 ( -8.739 -6.908 -2.411) 11.398 9.306 ( -12.377 0.997 9.939) 15.905 10.232 ( 1.176 2.658 -6.895) 7.482 11.824 ( 11.765 2.734 6.529) 13.730 12.157 ( 12.507 11.534 -2.634) 17.216 12.648 ( 8.466 7.724 -8.207) 14.096 13.074 ( 1.131 -4.023 -3.947) 5.748 13.342 ( -12.270 4.859 3.954) 13.777 13.465 ( -8.453 -9.300 1.754) 12.689 14.404 ( 16.649 1.507 8.589) 18.794 14.801 ( 12.708 -7.533 -11.422) 18.674 16.506 ( -10.025 -0.054 1.694) 10.167 19.057 ( 8.896 -1.219 -9.596) 13.142 19.669 ( 10.659 0.801 10.260) 14.816 20.000 ( 18.255 0.127 1.675) 18.332 20.727 ( -1.041 1.839 -16.355) 16.491 22.391 ( -20.712 -4.915 6.345) 22.213 24.257 ( 7.341 2.456 1.090) 7.817 24.595 ( -1.101 -0.943 3.685) 3.959 ======================= Grid point 414 (201/432) ======================= q-point: (-0.55 0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( -5.992 9.015 1.799) 10.974 2.116 ( -6.440 11.541 6.890) 14.905 3.015 ( -5.322 -7.301 -1.384) 9.140 3.142 ( -13.881 -5.492 4.658) 15.638 3.228 ( -3.530 -3.276 3.677) 6.059 3.641 ( -1.355 4.132 -3.000) 5.283 3.984 ( -0.832 3.323 -3.172) 4.668 4.228 ( -6.109 -2.912 3.136) 7.458 4.543 ( 4.904 -1.499 4.004) 6.506 4.837 ( -6.029 -7.365 2.922) 9.956 4.888 ( 5.427 -1.738 3.986) 6.954 5.969 ( -8.207 0.287 11.804) 14.379 6.023 ( 4.191 3.396 -4.789) 7.213 6.823 ( -25.993 -8.673 7.582) 28.432 7.849 ( 1.322 -1.295 -8.169) 8.376 8.126 ( -20.932 -0.455 9.044) 22.807 8.768 ( -3.756 -4.773 13.561) 14.859 9.215 ( -11.590 1.624 5.080) 12.758 9.257 ( -10.301 -12.217 3.781) 16.421 10.187 ( 3.884 2.426 -2.993) 5.471 11.948 ( 7.832 10.852 1.163) 13.434 12.137 ( 7.944 18.796 -1.255) 20.445 12.554 ( 1.957 8.443 -5.733) 10.391 13.070 ( 5.769 4.568 -6.886) 10.078 13.235 ( -10.733 -3.635 7.175) 13.413 13.485 ( -3.921 -11.248 -0.213) 11.914 14.564 ( 8.529 6.598 -3.312) 11.280 14.951 ( 12.194 -15.181 -10.026) 21.901 16.543 ( -2.298 -2.933 18.208) 18.585 19.066 ( 10.494 -1.984 -14.203) 17.770 19.862 ( 6.193 2.894 5.464) 8.751 20.294 ( 23.259 1.764 2.809) 23.494 20.497 ( -2.964 1.451 -16.708) 17.031 22.217 ( -24.050 -8.898 5.704) 26.270 24.305 ( 4.282 5.273 -0.171) 6.795 24.628 ( -2.749 -3.078 2.901) 5.044 ======================= Grid point 415 (202/432) ======================= q-point: (-0.45 0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -7.854 12.018 7.143) 16.035 2.058 ( -3.083 17.534 13.256) 22.196 2.981 ( -11.865 -2.904 1.349) 12.290 3.014 ( -5.352 -5.095 0.980) 7.453 3.331 ( 0.775 -6.687 2.329) 7.123 3.583 ( -3.169 -5.131 -1.261) 6.161 3.929 ( 1.356 12.006 5.000) 13.076 4.207 ( -4.340 -5.382 -0.850) 6.966 4.609 ( -1.330 -2.256 0.640) 2.696 4.943 ( 1.030 -12.260 6.076) 13.722 5.028 ( 6.083 1.031 6.893) 9.251 5.975 ( -0.354 0.761 1.089) 1.375 6.062 ( -0.860 0.539 9.615) 9.668 6.666 ( -27.090 -11.853 12.693) 32.179 7.807 ( -1.165 -0.176 -3.016) 3.238 8.000 ( -10.862 -4.666 3.518) 12.334 8.904 ( -4.201 -6.180 11.494) 13.710 9.088 ( -13.095 3.190 5.543) 14.574 9.300 ( -7.456 -14.901 4.587) 17.283 10.220 ( 5.558 2.093 0.698) 5.980 11.822 ( 3.985 29.120 -6.570) 30.117 12.079 ( 4.297 11.434 0.304) 12.219 12.478 ( 0.186 2.788 -2.188) 3.549 12.971 ( 0.131 14.283 -2.119) 14.440 13.271 ( -0.245 -7.681 -0.668) 7.714 13.533 ( -1.135 -7.346 1.464) 7.576 14.505 ( 2.271 7.257 -6.761) 10.175 15.091 ( 7.510 -16.897 -12.997) 22.601 16.898 ( 6.328 -9.589 29.055) 31.244 19.041 ( 10.688 -3.164 -18.915) 21.955 19.876 ( 0.451 7.168 -3.709) 8.083 20.261 ( -5.938 -0.468 -12.120) 13.505 20.642 ( 26.349 2.820 2.999) 26.668 22.052 ( -24.250 -10.669 6.930) 27.385 24.294 ( 3.017 5.576 -1.548) 6.526 24.614 ( -6.317 -2.507 -0.052) 6.796 ======================= Grid point 416 (203/432) ======================= q-point: (-0.36 0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -6.260 11.143 10.565) 16.582 2.037 ( -1.026 18.361 14.775) 23.590 2.907 ( -5.800 -0.433 4.478) 7.341 3.034 ( -1.128 -4.090 2.763) 5.063 3.381 ( 1.635 -2.938 -1.773) 3.801 3.601 ( -3.193 -12.753 -3.336) 13.563 3.930 ( -3.000 12.389 13.989) 18.925 4.204 ( 2.394 -4.691 -4.585) 6.983 4.592 ( -2.064 -1.203 -0.790) 2.516 5.097 ( -0.582 -3.047 8.590) 9.133 5.230 ( 8.191 -7.473 5.661) 12.449 5.987 ( 2.458 0.023 -1.074) 2.682 6.191 ( -2.137 -2.368 15.755) 16.075 6.622 ( -22.861 -13.824 19.510) 33.081 7.729 ( -8.558 1.332 1.719) 8.829 7.987 ( -3.638 -8.082 -0.454) 8.874 8.958 ( -9.009 6.177 6.645) 12.786 9.020 ( -8.427 -11.759 9.048) 17.063 9.433 ( -0.849 -15.203 7.049) 16.779 10.301 ( 6.045 4.667 4.706) 8.970 11.496 ( 1.274 34.322 -7.757) 35.211 12.047 ( 3.592 5.668 -3.134) 7.406 12.425 ( -3.344 2.535 -1.171) 4.356 12.788 ( 0.613 18.705 -7.274) 20.078 13.291 ( -0.290 -3.432 -2.432) 4.217 13.634 ( 3.716 -1.197 6.938) 7.961 14.389 ( -2.158 4.884 -4.061) 6.708 15.134 ( 3.050 -16.583 -16.635) 23.687 17.468 ( 11.392 -16.505 28.979) 35.242 18.974 ( 8.576 -5.573 -21.752) 24.037 19.694 ( -2.242 8.850 -12.149) 15.197 20.082 ( -6.632 -2.085 -7.253) 10.047 20.994 ( 24.111 5.299 5.905) 25.383 21.912 ( -21.842 -9.527 6.652) 24.740 24.269 ( 3.010 4.034 -2.427) 5.588 24.491 ( -10.191 1.124 -3.385) 10.797 ======================= Grid point 417 (204/432) ======================= q-point: (-0.27 0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -0.937 10.013 12.181) 15.795 2.078 ( 2.581 13.187 15.511) 20.522 2.905 ( -1.148 -3.008 0.103) 3.221 3.127 ( 3.500 -0.486 6.491) 7.391 3.409 ( 0.817 -4.914 -1.840) 5.311 3.616 ( -2.899 -10.654 -4.625) 11.971 3.929 ( -7.386 6.359 11.670) 15.204 4.232 ( 8.312 1.601 -6.375) 10.597 4.593 ( 0.531 0.390 3.550) 3.611 5.183 ( -1.664 1.573 7.478) 7.821 5.431 ( 4.037 -8.270 2.636) 9.573 6.008 ( 0.878 -1.208 -0.163) 1.502 6.412 ( -0.063 -6.679 19.156) 20.287 6.744 ( -15.196 -13.694 25.790) 32.918 7.589 ( -13.539 0.854 0.452) 13.574 8.017 ( -3.806 -6.388 4.450) 8.666 8.899 ( -7.882 0.113 8.117) 11.314 9.110 ( -5.618 -11.364 6.482) 14.238 9.682 ( 4.462 -15.614 8.188) 18.186 10.398 ( 5.868 10.105 9.155) 14.845 11.144 ( 0.342 31.884 -6.133) 32.470 11.991 ( 3.536 5.535 -7.687) 10.111 12.296 ( -11.043 0.938 -2.860) 11.446 12.532 ( 5.909 21.422 -12.788) 25.639 13.303 ( -0.236 0.106 3.189) 3.199 13.782 ( 6.471 3.891 8.394) 11.290 14.280 ( -5.024 1.783 -2.149) 5.748 15.081 ( -0.746 -14.957 -18.371) 23.702 18.045 ( 11.281 -16.617 18.439) 27.265 18.876 ( 1.650 -8.787 -18.351) 20.413 19.454 ( 0.579 5.036 -15.656) 16.456 19.953 ( -4.191 -0.651 -4.760) 6.376 21.289 ( 12.478 6.891 9.735) 17.261 21.797 ( -11.607 -5.765 3.178) 13.343 24.246 ( -1.758 2.711 -3.382) 4.678 24.282 ( -6.112 4.325 -3.625) 8.318 ======================= Grid point 418 (205/432) ======================= q-point: (-0.18 0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 2.944 8.059 13.935) 16.365 2.242 ( 8.805 7.783 15.147) 19.171 2.932 ( 2.921 -3.630 -2.343) 5.215 3.233 ( 2.801 -3.705 0.685) 4.695 3.429 ( -4.062 -5.425 0.111) 6.778 3.592 ( -2.459 -8.717 -8.050) 12.118 3.922 ( -2.510 5.386 9.374) 11.099 4.234 ( 9.776 8.136 -7.334) 14.682 4.689 ( 3.296 -0.238 8.558) 9.174 5.189 ( -4.510 4.682 6.112) 8.923 5.519 ( -1.556 -5.992 -0.599) 6.220 6.023 ( -2.555 -2.652 1.862) 4.127 6.690 ( -0.529 -9.696 15.063) 17.922 6.996 ( -7.030 -8.818 22.204) 24.904 7.422 ( -15.036 -0.094 11.508) 18.934 8.099 ( -6.401 -6.083 12.135) 15.008 8.929 ( -4.173 -6.004 6.115) 9.532 9.227 ( -1.120 -11.938 6.081) 13.444 9.940 ( 2.359 -12.979 5.417) 14.260 10.474 ( 3.317 15.497 11.471) 19.564 10.850 ( 0.290 25.546 -3.333) 25.764 11.881 ( 6.963 9.375 -9.500) 15.054 12.074 ( -14.156 -0.979 -6.245) 15.503 12.353 ( 11.518 14.928 -11.699) 22.189 13.348 ( -0.207 2.350 6.477) 6.893 13.910 ( 6.020 7.005 7.005) 11.593 14.177 ( -6.119 -0.086 -1.482) 6.296 14.967 ( -2.975 -12.255 -16.861) 21.055 18.399 ( 9.760 -8.155 1.604) 12.820 18.720 ( -8.235 -5.783 -14.173) 17.382 19.320 ( 1.265 -4.943 -10.222) 11.424 19.884 ( 1.687 0.626 -4.416) 4.769 21.334 ( -13.825 1.588 7.508) 15.813 21.870 ( 14.344 3.449 4.328) 15.374 24.043 ( -8.196 6.096 -3.087) 10.671 24.272 ( 3.698 -0.024 -2.203) 4.305 ======================= Grid point 419 (206/432) ======================= q-point: (-0.09 0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 4.134 2.613 14.371) 15.180 2.490 ( 12.709 7.003 13.367) 19.729 2.982 ( 3.729 -3.947 -2.592) 6.017 3.289 ( 2.650 -8.324 -5.032) 10.081 3.370 ( -9.094 -2.303 -1.130) 9.449 3.523 ( -2.560 -7.311 -9.108) 11.956 3.986 ( 5.581 7.366 6.235) 11.149 4.189 ( 8.688 11.171 -7.845) 16.181 4.847 ( 3.168 -1.336 9.092) 9.720 5.151 ( -6.261 5.124 8.390) 11.655 5.479 ( -7.056 -4.054 -3.827) 8.993 6.026 ( -5.119 -3.361 3.205) 6.912 6.788 ( -7.471 -2.361 -1.455) 7.969 7.082 ( -7.090 -4.868 9.612) 12.898 7.637 ( -7.559 -4.302 41.109) 42.019 8.205 ( -8.727 -6.316 14.282) 17.890 9.000 ( -4.322 -9.037 4.178) 10.854 9.455 ( 6.951 -15.114 8.497) 18.680 9.996 ( -8.210 2.424 -1.006) 8.620 10.438 ( -6.086 13.174 6.955) 16.092 10.713 ( 9.783 14.807 0.360) 17.751 11.811 ( -12.434 -3.917 -11.308) 17.258 11.899 ( 16.646 6.885 -1.636) 18.088 12.312 ( 14.230 8.481 -8.835) 18.774 13.390 ( -1.342 4.595 7.490) 8.889 13.954 ( -0.730 3.654 1.784) 4.131 14.107 ( -1.568 2.564 0.533) 3.052 14.847 ( -2.973 -8.024 -12.006) 14.743 18.391 ( -12.798 -2.364 -16.308) 20.865 18.580 ( 12.394 -1.685 -7.817) 14.750 19.276 ( -4.866 -4.557 -2.982) 7.304 19.866 ( 0.440 0.427 -2.561) 2.634 21.194 ( -11.921 -3.652 0.116) 12.468 22.116 ( 16.666 8.206 9.199) 20.730 23.896 ( -2.901 4.450 -2.018) 5.683 24.310 ( 3.703 -1.749 -1.106) 4.242 ======================= Grid point 424 (207/432) ======================= q-point: ( 0.36 -0.64 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -4.055 0.000 -0.839) 4.141 2.228 ( -2.352 0.000 8.135) 8.468 2.945 ( -6.873 0.000 -0.669) 6.906 3.063 ( -11.719 0.000 7.368) 13.843 3.222 ( -8.002 0.000 1.808) 8.204 3.664 ( -0.620 0.000 -9.544) 9.564 4.016 ( 3.428 -0.000 -0.122) 3.430 4.217 ( -6.873 0.000 3.729) 7.819 4.530 ( 4.429 -0.000 4.005) 5.971 4.764 ( -9.932 0.000 3.352) 10.483 4.873 ( 6.424 -0.000 5.818) 8.667 5.971 ( -8.771 0.000 11.694) 14.618 6.055 ( 3.548 -0.000 -5.544) 6.583 6.745 ( -25.722 0.000 7.073) 26.677 7.840 ( 1.625 -0.000 -8.931) 9.078 8.124 ( -21.613 0.000 9.425) 23.579 8.725 ( -5.688 0.000 15.770) 16.764 9.137 ( -6.628 0.000 0.417) 6.641 9.245 ( -13.377 0.000 8.459) 15.827 10.208 ( 3.428 -0.000 -3.917) 5.205 12.041 ( 9.388 -0.000 4.498) 10.410 12.262 ( 3.632 -0.000 -4.563) 5.832 12.774 ( 14.319 -0.000 -6.277) 15.634 12.957 ( -5.358 0.000 -5.552) 7.715 13.316 ( 1.567 -0.000 -2.884) 3.282 13.319 ( -14.753 0.000 10.622) 18.179 14.660 ( 8.996 -0.000 2.583) 9.360 14.778 ( 12.878 -0.000 -15.766) 20.357 16.519 ( -3.026 0.000 16.523) 16.798 19.048 ( 10.959 -0.000 -14.811) 18.425 19.887 ( 6.415 -0.000 6.879) 9.406 20.307 ( 25.065 -0.000 1.290) 25.099 20.511 ( -4.223 0.000 -16.876) 17.396 22.143 ( -23.714 0.000 6.352) 24.550 24.356 ( 3.501 -0.000 1.353) 3.753 24.595 ( -2.636 0.000 1.697) 3.135 ======================= Grid point 426 (208/432) ======================= q-point: (-0.55 0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( -5.444 5.596 3.487) 8.551 2.315 ( 1.701 10.668 13.600) 17.368 2.881 ( -6.688 -4.324 1.237) 8.060 2.947 ( -13.674 -5.160 3.354) 14.995 3.235 ( 0.494 -2.579 4.259) 5.003 3.529 ( -2.022 -1.578 -10.133) 10.452 4.069 ( 6.234 0.944 -1.386) 6.456 4.199 ( -5.175 5.708 7.996) 11.104 4.588 ( -0.717 -0.181 1.369) 1.556 4.744 ( -4.325 -9.214 6.779) 12.229 5.046 ( 5.616 0.733 9.256) 10.851 5.973 ( -5.684 -0.425 5.831) 8.154 6.078 ( 2.195 0.839 3.358) 4.098 6.522 ( -25.972 -4.713 11.825) 28.924 7.809 ( 4.926 0.198 -5.386) 7.301 7.953 ( -15.881 -1.229 3.882) 16.395 8.808 ( -10.698 -3.402 15.181) 18.881 9.118 ( -3.315 -4.408 3.188) 6.370 9.157 ( -11.677 1.260 7.810) 14.104 10.243 ( 5.788 0.668 0.074) 5.827 12.136 ( 5.894 9.489 -0.596) 11.187 12.225 ( 2.573 1.441 -6.014) 6.698 12.644 ( -3.613 19.340 -4.003) 20.078 13.023 ( 6.841 -17.135 -8.041) 20.126 13.212 ( -8.609 9.312 9.055) 15.583 13.411 ( 3.729 -6.898 3.646) 8.648 14.641 ( 3.613 9.172 -8.090) 12.752 14.834 ( 7.647 -13.270 -12.900) 20.024 16.791 ( 4.304 -3.135 26.915) 27.437 19.001 ( 10.614 -1.309 -20.019) 22.697 19.967 ( 0.638 3.118 0.522) 3.225 20.245 ( -6.235 -0.839 -17.433) 18.534 20.677 ( 27.979 1.140 2.594) 28.122 21.936 ( -22.350 -3.366 8.711) 24.222 24.375 ( 0.734 3.385 -0.064) 3.464 24.565 ( -4.834 -2.453 -0.520) 5.445 ======================= Grid point 427 (209/432) ======================= q-point: (-0.45 0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( -4.737 8.316 5.891) 11.238 2.353 ( 0.569 18.774 12.156) 22.373 2.850 ( -6.552 -4.688 2.651) 8.481 2.954 ( -2.152 -7.787 5.607) 9.834 3.308 ( 0.341 -4.207 0.483) 4.249 3.437 ( -1.251 -5.908 -6.805) 9.098 4.117 ( -1.278 -1.763 -1.950) 2.923 4.178 ( 4.182 12.246 9.088) 15.813 4.576 ( -2.655 -0.599 1.761) 3.242 4.921 ( -0.486 -13.838 9.637) 16.870 5.207 ( 4.669 1.448 8.839) 10.100 5.977 ( -0.591 -1.122 0.891) 1.550 6.162 ( -1.890 -0.957 11.301) 11.498 6.436 ( -20.517 -8.002 18.354) 28.668 7.757 ( -9.758 1.631 0.614) 9.912 7.883 ( 1.937 -4.020 -2.368) 5.051 8.837 ( -16.808 -7.924 13.528) 22.985 9.069 ( -7.136 4.895 6.799) 11.005 9.236 ( 1.494 -8.204 7.622) 11.297 10.351 ( 7.895 1.628 4.591) 9.276 12.025 ( 4.569 24.988 -8.615) 26.823 12.126 ( 1.461 5.321 -8.059) 9.767 12.441 ( -9.393 1.463 -0.411) 9.515 13.067 ( 4.704 6.805 -9.032) 12.248 13.172 ( -6.181 -4.292 7.741) 10.796 13.606 ( 9.581 -2.192 7.692) 12.481 14.491 ( -1.735 7.276 -7.279) 10.437 14.864 ( 3.350 -14.986 -15.754) 22.000 17.257 ( 9.053 -8.522 29.738) 32.233 18.897 ( 7.867 -3.304 -23.131) 24.655 19.832 ( -4.260 7.431 -12.590) 15.228 20.028 ( -6.275 -4.101 -8.047) 10.997 21.068 ( 27.661 3.190 4.379) 28.187 21.803 ( -18.209 -3.870 8.870) 20.621 24.336 ( 0.095 3.786 -1.685) 4.145 24.482 ( -7.854 -1.687 -2.937) 8.554 ======================= Grid point 428 (210/432) ======================= q-point: (-0.36 0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 2.549 8.524 7.121) 11.396 2.329 ( -0.006 16.692 11.472) 20.254 2.846 ( -1.930 -3.770 0.474) 4.262 3.088 ( 1.799 -5.005 5.905) 7.947 3.314 ( -2.509 -5.932 -2.575) 6.937 3.438 ( -0.818 -8.940 -3.761) 9.734 4.061 ( -4.524 7.201 5.570) 10.166 4.268 ( 11.814 3.484 -3.031) 12.684 4.600 ( -1.650 0.505 7.914) 8.100 5.124 ( -1.368 -9.617 9.269) 13.427 5.341 ( 2.912 -0.878 6.163) 6.873 5.987 ( 0.272 -1.396 -1.003) 1.741 6.310 ( -2.463 -5.222 15.630) 16.662 6.539 ( -12.610 -10.006 25.452) 30.115 7.596 ( -13.630 -0.023 -0.045) 13.630 7.941 ( 4.059 -2.246 0.095) 4.640 8.815 ( -18.046 -9.238 11.575) 23.345 9.045 ( -4.520 2.336 8.173) 9.628 9.464 ( 6.044 -10.166 9.256) 15.019 10.518 ( 8.863 4.565 9.266) 13.610 11.682 ( 0.282 30.774 -11.589) 32.885 12.042 ( 3.801 1.853 -9.242) 10.163 12.286 ( -13.477 -0.843 -2.513) 13.735 12.902 ( 3.947 18.345 -9.392) 20.984 13.237 ( -3.209 -6.412 5.765) 9.200 13.843 ( 10.838 2.967 9.775) 14.894 14.328 ( -6.043 3.886 -3.870) 8.161 14.822 ( 0.102 -15.366 -17.911) 23.599 17.796 ( 10.415 -12.179 25.523) 30.137 18.758 ( 3.890 -5.275 -20.677) 21.690 19.530 ( -5.508 3.770 -18.533) 19.698 19.930 ( -3.269 -1.647 -3.539) 5.091 21.412 ( 15.916 7.189 8.379) 19.370 21.724 ( -6.093 -3.369 3.957) 8.008 24.282 ( -1.590 1.915 -3.456) 4.259 24.331 ( -7.492 1.452 -3.561) 8.422 ======================= Grid point 429 (211/432) ======================= q-point: (-0.27 0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 8.113 10.296 7.403) 15.055 2.376 ( 4.245 8.635 12.676) 15.914 2.880 ( 2.744 -2.405 -0.053) 3.650 3.164 ( 0.739 -3.798 -1.899) 4.310 3.308 ( -8.280 -9.559 1.695) 12.760 3.449 ( 0.273 -7.704 -6.672) 10.195 4.037 ( 1.787 7.569 5.464) 9.505 4.346 ( 12.688 4.566 -6.405) 14.928 4.694 ( -0.752 1.089 12.223) 12.294 5.231 ( -3.740 -1.464 7.371) 8.394 5.421 ( -1.478 -3.856 2.108) 4.636 5.982 ( -2.327 -2.223 0.042) 3.218 6.525 ( -2.036 -9.452 15.829) 18.548 6.823 ( -4.560 -10.771 25.186) 27.769 7.426 ( -13.833 0.360 6.134) 15.136 8.026 ( 1.753 -2.210 4.737) 5.513 8.802 ( -13.928 -9.678 10.028) 19.703 9.095 ( -2.623 -3.372 8.551) 9.558 9.739 ( 6.243 -10.327 8.200) 14.590 10.685 ( 5.697 9.578 11.635) 16.111 11.310 ( -0.857 26.902 -9.845) 28.659 11.967 ( 4.396 2.613 -12.015) 13.058 12.049 ( -13.887 0.261 -4.365) 14.559 12.689 ( 6.861 20.601 -10.506) 24.122 13.320 ( -2.166 -4.935 6.603) 8.523 14.029 ( 5.999 6.749 7.711) 11.875 14.192 ( -5.647 1.684 -0.323) 5.901 14.739 ( -1.282 -14.603 -16.603) 22.148 18.245 ( 8.166 -9.530 13.282) 18.274 18.631 ( -0.393 -4.563 -14.128) 14.852 19.254 ( -3.866 -2.888 -16.008) 16.720 19.885 ( 0.886 -0.270 -3.317) 3.444 21.406 ( -13.097 6.113 4.296) 15.078 21.921 ( 21.225 2.513 5.576) 22.089 24.121 ( -7.995 3.170 -4.653) 9.779 24.272 ( 0.777 0.110 -2.145) 2.284 ======================= Grid point 430 (212/432) ======================= q-point: (-0.18 0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 4.095 7.643 8.230) 11.955 2.585 ( 13.550 4.251 11.018) 17.974 2.935 ( 1.906 -1.284 0.349) 2.325 3.174 ( 2.708 -4.994 -5.294) 7.765 3.271 ( -14.413 -9.630 4.031) 17.797 3.425 ( 3.835 -4.477 -10.382) 11.939 4.097 ( 6.846 5.805 3.652) 9.690 4.363 ( 10.621 8.914 -8.071) 16.044 4.828 ( 0.175 -0.822 11.674) 11.704 5.232 ( -5.903 3.417 6.709) 9.567 5.402 ( -7.569 -4.168 -1.243) 8.730 5.969 ( -5.014 -3.371 2.120) 6.403 6.713 ( -4.428 -6.591 6.824) 10.470 6.981 ( -6.958 -7.025 5.490) 11.310 7.557 ( -4.985 -4.689 36.695) 37.328 8.123 ( -0.504 -2.871 6.877) 7.470 8.837 ( -10.689 -10.746 9.136) 17.697 9.239 ( 1.758 -9.959 8.732) 13.361 9.945 ( 2.338 -5.497 4.602) 7.541 10.699 ( -7.003 15.002 7.023) 17.984 11.017 ( 3.044 19.515 -6.532) 20.803 11.755 ( -13.239 -0.568 -8.514) 15.751 11.982 ( 12.084 3.014 -5.804) 13.741 12.537 ( 11.241 16.445 -8.558) 21.680 13.402 ( -2.336 -3.139 6.642) 7.708 13.983 ( -8.761 0.840 -0.557) 8.819 14.202 ( 4.002 7.030 3.592) 8.851 14.688 ( 0.903 -10.527 -9.582) 14.263 18.350 ( -9.267 -2.504 -10.609) 14.307 18.552 ( 10.396 -1.514 -6.814) 12.522 19.166 ( -1.922 -7.979 -2.546) 8.593 19.873 ( 1.450 0.344 -2.481) 2.894 21.197 ( -11.874 3.591 -2.375) 12.631 22.244 ( 19.696 6.812 9.431) 22.875 23.962 ( -4.121 3.281 -3.886) 6.546 24.276 ( 1.287 -2.187 -1.183) 2.800 ======================= Grid point 431 (213/432) ======================= q-point: (-0.09 0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( -0.451 -0.122 6.747) 6.763 2.844 ( 13.380 4.728 5.998) 15.407 2.976 ( 2.023 -2.015 3.964) 4.885 3.159 ( -8.427 -6.378 -4.159) 11.357 3.207 ( -5.321 -3.974 0.241) 6.646 3.439 ( 10.958 -2.412 -7.599) 13.552 4.169 ( 5.971 4.669 1.232) 7.679 4.294 ( 7.801 11.643 -9.971) 17.200 4.951 ( -0.850 -1.215 8.249) 8.381 5.190 ( -6.638 1.324 3.148) 7.465 5.272 ( -13.035 -1.239 0.334) 13.098 5.959 ( -5.365 -4.123 2.861) 7.347 6.600 ( -12.191 -0.158 -5.530) 13.387 7.091 ( -2.695 -6.634 11.572) 13.608 7.989 ( -5.651 -3.141 39.745) 40.268 8.211 ( -0.201 -3.222 5.534) 6.407 8.898 ( -11.174 -10.602 11.211) 19.052 9.507 ( 6.154 -17.671 7.938) 20.326 9.934 ( -7.533 9.899 0.291) 12.443 10.439 ( -12.290 13.671 -1.556) 18.449 10.970 ( 10.062 4.016 -1.715) 10.969 11.487 ( -10.778 0.951 -8.671) 13.865 12.137 ( 17.661 0.088 -2.208) 17.799 12.534 ( 15.468 10.408 -2.511) 18.812 13.452 ( -3.919 -1.013 6.323) 7.508 13.860 ( -8.275 -1.189 -0.798) 8.398 14.181 ( -0.434 5.240 -1.927) 5.600 14.725 ( 5.281 -1.959 -1.444) 5.815 17.993 ( -14.011 0.454 -21.675) 25.813 18.677 ( 12.788 -1.869 -2.637) 13.190 19.195 ( -0.956 -1.630 1.309) 2.299 19.835 ( -4.361 2.148 0.440) 4.881 21.028 ( -3.440 -2.533 -7.848) 8.936 22.516 ( 13.347 10.176 12.356) 20.841 23.878 ( 1.244 1.660 -3.943) 4.455 24.316 ( 1.391 -3.851 0.613) 4.141 ======================= Grid point 437 (214/432) ======================= q-point: ( 0.45 -0.55 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -4.345 0.000 3.763) 5.748 2.585 ( 5.573 -0.000 13.604) 14.701 2.802 ( -9.257 0.000 4.596) 10.335 2.808 ( -4.742 0.000 1.863) 5.095 3.278 ( 0.593 -0.000 3.095) 3.151 3.390 ( -1.494 0.000 -8.555) 8.685 4.086 ( 5.821 -0.000 -5.580) 8.064 4.330 ( -0.129 0.000 9.881) 9.881 4.573 ( -2.700 0.000 1.094) 2.913 4.764 ( -2.244 0.000 13.211) 13.401 5.223 ( 3.999 -0.000 9.481) 10.290 5.963 ( -2.304 0.000 2.433) 3.351 6.156 ( -1.202 0.000 8.599) 8.682 6.366 ( -19.451 0.000 18.035) 26.526 7.772 ( -14.194 0.000 0.683) 14.210 7.852 ( 8.486 -0.000 -4.031) 9.395 8.767 ( -19.081 0.000 15.716) 24.720 9.117 ( -8.325 0.000 7.433) 11.160 9.161 ( 2.940 -0.000 7.249) 7.822 10.364 ( 8.513 -0.000 4.388) 9.577 12.142 ( 1.919 -0.000 -9.058) 9.260 12.270 ( 6.266 -0.000 -2.556) 6.767 12.511 ( -13.019 0.000 -12.248) 17.875 12.961 ( 2.758 -0.000 -1.738) 3.260 13.252 ( -9.480 0.000 11.746) 15.094 13.577 ( 15.676 -0.000 5.395) 16.579 14.622 ( -7.314 0.000 -3.579) 8.143 14.665 ( 9.353 -0.000 -20.649) 22.668 17.185 ( 8.310 -0.000 29.649) 30.792 18.869 ( 7.777 -0.000 -23.532) 24.784 19.930 ( -8.613 0.000 -19.406) 21.232 19.958 ( -2.665 0.000 -1.613) 3.115 21.095 ( 29.436 -0.000 3.365) 29.628 21.772 ( -17.410 0.000 10.064) 20.110 24.377 ( -1.582 0.000 -0.868) 1.805 24.458 ( -6.423 0.000 -3.352) 7.245 ======================= Grid point 439 (215/432) ======================= q-point: (-0.45 0.45 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 2.735 3.485 4.625) 6.404 2.626 ( -0.217 18.129 7.151) 19.490 2.793 ( -1.329 -1.974 1.827) 3.000 2.915 ( 0.346 -15.068 6.385) 16.369 3.269 ( -2.805 0.994 -3.368) 4.494 3.326 ( -2.171 -4.923 -1.033) 5.479 4.130 ( 8.081 1.470 -2.673) 8.638 4.349 ( 3.214 4.274 -4.097) 6.737 4.615 ( -2.704 1.264 13.637) 13.960 4.947 ( -0.565 -8.173 13.322) 15.640 5.354 ( 1.264 0.968 8.032) 8.188 5.964 ( -0.337 -0.989 -0.505) 1.161 6.249 ( -3.382 -1.863 12.595) 13.174 6.424 ( -10.573 -3.557 24.160) 26.611 7.592 ( -13.464 -0.261 -0.322) 13.471 7.932 ( 9.628 0.355 -3.110) 10.124 8.687 ( -22.487 -4.520 16.377) 28.183 9.092 ( -7.041 2.041 7.728) 10.652 9.345 ( 7.059 -3.832 9.783) 12.657 10.564 ( 10.817 1.258 9.011) 14.135 12.064 ( 2.933 1.147 -10.622) 11.079 12.089 ( -4.586 12.952 -20.503) 24.681 12.299 ( -6.262 3.501 1.630) 7.357 12.974 ( -0.461 -6.786 -5.500) 8.747 13.246 ( -7.000 6.058 11.858) 15.044 13.873 ( 15.888 0.681 8.740) 18.146 14.412 ( -7.872 6.091 -6.007) 11.626 14.591 ( 1.629 -11.160 -17.850) 21.115 17.655 ( 9.928 -4.374 27.954) 29.985 18.699 ( 4.920 -1.788 -21.346) 21.978 19.574 ( -9.506 1.428 -20.322) 22.481 19.908 ( -1.517 -0.772 -2.623) 3.127 21.510 ( 25.199 3.738 5.942) 26.159 21.678 ( -10.738 -1.907 6.148) 12.519 24.311 ( -5.365 1.321 -4.388) 7.055 24.337 ( -4.366 -0.373 -2.494) 5.042 ======================= Grid point 440 (216/432) ======================= q-point: (-0.36 0.45 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 12.706 5.813 5.014) 14.845 2.553 ( -1.531 12.663 6.765) 14.438 2.849 ( 3.882 -1.705 2.324) 4.835 3.072 ( -3.219 -9.850 4.095) 11.143 3.179 ( -3.174 -1.940 -5.200) 6.394 3.328 ( -2.282 -6.793 -2.037) 7.450 4.164 ( 5.639 7.528 -0.757) 9.436 4.367 ( 11.815 -2.160 -7.503) 14.162 4.734 ( -2.842 3.460 15.978) 16.594 5.132 ( -2.025 -7.768 9.226) 12.230 5.416 ( -2.595 1.513 6.133) 6.829 5.950 ( -1.976 -1.594 -1.372) 2.886 6.394 ( -2.483 -5.677 14.477) 15.748 6.668 ( -3.215 -6.959 24.456) 25.630 7.431 ( -12.488 0.216 4.384) 13.237 8.023 ( 8.484 1.275 -0.840) 8.621 8.639 ( -21.028 -8.431 16.577) 28.073 9.081 ( -6.021 0.505 8.077) 10.087 9.604 ( 8.450 -5.530 10.036) 14.237 10.800 ( 8.934 4.410 11.748) 15.404 11.653 ( -8.107 11.475 -20.046) 24.479 11.996 ( 5.109 1.012 -11.538) 12.658 12.147 ( -7.300 12.325 -0.134) 14.325 12.913 ( 1.894 1.883 -10.692) 11.021 13.259 ( -5.676 1.613 11.626) 13.038 14.128 ( 5.607 5.143 5.822) 9.580 14.224 ( -4.416 1.736 1.442) 4.959 14.498 ( 0.273 -13.168 -17.186) 21.653 18.107 ( 8.096 -6.275 20.499) 22.916 18.572 ( 4.125 -2.368 -14.398) 15.164 19.221 ( -8.295 -1.160 -19.405) 21.136 19.880 ( 1.425 -0.248 -3.031) 3.358 21.506 ( -11.890 4.937 1.759) 12.994 21.952 ( 25.187 1.262 7.052) 26.186 24.154 ( -7.031 0.964 -5.563) 9.017 24.275 ( -1.983 0.201 -1.983) 2.812 ======================= Grid point 441 (217/432) ======================= q-point: (-0.27 0.45 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 3.734 10.597 2.404) 11.490 2.635 ( 12.278 1.813 8.944) 15.298 2.943 ( 1.996 1.538 3.771) 4.536 3.083 ( -12.659 -9.975 4.241) 16.665 3.129 ( 3.038 -1.718 -4.592) 5.768 3.342 ( 4.179 -5.981 -7.371) 10.372 4.180 ( 7.107 4.194 -1.912) 8.471 4.460 ( 12.869 1.894 -7.950) 15.245 4.833 ( -4.057 1.966 14.027) 14.733 5.212 ( -5.084 -4.976 3.406) 7.887 5.397 ( -7.267 2.978 5.646) 9.672 5.916 ( -5.017 -2.831 0.785) 5.814 6.588 ( -1.112 -7.226 11.958) 14.016 6.856 ( -6.013 -7.375 4.159) 10.385 7.495 ( -3.531 -2.497 29.393) 29.710 8.112 ( 5.739 1.268 1.861) 6.165 8.651 ( -17.124 -10.602 15.731) 25.555 9.123 ( -3.550 -4.301 8.335) 10.028 9.860 ( 7.367 -4.204 8.389) 11.930 10.908 ( -2.813 9.949 6.908) 12.435 11.258 ( -7.419 6.717 -17.720) 20.351 11.861 ( -5.255 13.276 -2.526) 14.500 12.025 ( 8.799 3.483 -6.278) 11.356 12.784 ( 6.171 9.951 -10.709) 15.868 13.320 ( -5.631 -4.282 9.285) 11.672 14.000 ( -10.567 1.158 -1.119) 10.689 14.280 ( -0.963 0.169 -2.223) 2.429 14.527 ( 9.305 -6.578 -1.376) 11.478 18.309 ( -5.160 -2.255 -3.437) 6.597 18.532 ( 8.668 -0.839 -6.478) 10.854 19.035 ( -1.042 -6.840 -4.145) 8.066 19.877 ( 2.624 0.157 -2.745) 3.801 21.286 ( -10.992 5.955 -5.081) 13.495 22.340 ( 22.267 4.599 10.162) 24.905 24.003 ( -4.620 1.568 -5.147) 7.092 24.240 ( -1.418 -1.883 -1.236) 2.662 ======================= Grid point 442 (218/432) ======================= q-point: (-0.18 -0.55 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( -5.384 3.192 2.820) 6.865 2.907 ( 5.649 3.768 2.131) 7.117 2.945 ( 4.770 -3.592 4.893) 7.720 3.039 ( -8.318 -6.493 3.486) 11.113 3.185 ( 2.381 1.531 2.316) 3.657 3.394 ( 14.230 -3.321 -9.412) 17.381 4.220 ( 5.677 1.651 -2.860) 6.568 4.461 ( 8.609 7.365 -10.004) 15.115 4.913 ( -4.792 -2.923 8.951) 10.565 5.160 ( -8.537 -2.957 -2.177) 9.293 5.323 ( -9.427 5.367 8.409) 13.725 5.891 ( -6.070 -3.941 2.692) 7.721 6.591 ( -10.917 -0.911 -4.167) 11.721 6.944 ( 0.122 -10.328 9.830) 14.258 7.922 ( -0.606 -4.558 38.193) 38.469 8.192 ( 6.400 0.896 -0.135) 6.464 8.711 ( -16.177 -11.026 17.482) 26.247 9.260 ( 0.603 -11.628 7.820) 14.026 10.024 ( 2.823 2.384 5.515) 6.638 10.702 ( -14.822 14.361 -1.846) 20.720 10.961 ( -4.959 -2.090 -15.342) 16.259 11.657 ( -4.409 17.025 1.012) 17.616 12.133 ( 15.972 -0.463 -4.296) 16.546 12.715 ( 11.482 9.960 -5.459) 16.150 13.373 ( -7.993 -6.974 7.076) 12.751 13.868 ( -6.556 1.602 0.229) 6.753 14.200 ( -4.833 -3.520 -5.399) 8.056 14.719 ( 11.420 1.512 5.031) 12.570 18.004 ( -13.395 0.843 -21.654) 25.476 18.646 ( 11.593 -1.703 -1.165) 11.775 19.143 ( 3.168 -4.034 6.201) 8.047 19.868 ( -0.880 1.573 -0.604) 1.901 21.037 ( -5.664 3.184 -10.929) 12.714 22.676 ( 16.680 8.487 12.929) 22.747 23.899 ( -0.382 0.878 -5.366) 5.451 24.246 ( -1.033 -4.257 0.726) 4.441 ======================= Grid point 443 (219/432) ======================= q-point: (-0.09 -0.55 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -10.176 -3.791 2.240) 11.088 2.838 ( -15.209 -8.327 2.011) 17.455 2.993 ( 0.382 -0.497 -0.525) 0.818 3.171 ( 1.372 1.897 -1.112) 2.592 3.245 ( 15.716 5.858 5.913) 17.785 3.555 ( 15.741 -0.736 -2.490) 15.954 4.213 ( -3.215 -0.317 -1.140) 3.426 4.364 ( 7.847 9.585 -11.541) 16.931 4.901 ( -12.895 -7.617 -2.340) 15.158 5.045 ( -3.780 3.338 1.214) 5.187 5.263 ( -7.957 5.020 8.399) 12.612 5.882 ( -4.919 -4.783 2.244) 7.219 6.362 ( -13.773 -0.159 -5.534) 14.844 7.147 ( 0.058 -6.821 10.983) 12.929 8.200 ( 4.215 1.806 -0.610) 4.626 8.362 ( -3.998 -2.693 28.384) 28.791 8.803 ( -16.411 -9.387 21.024) 28.275 9.493 ( 3.633 -17.381 4.930) 18.429 9.959 ( -8.946 16.081 2.519) 18.574 10.345 ( -12.487 11.734 -5.198) 17.906 10.858 ( 0.781 -16.451 -11.027) 19.820 11.508 ( 1.124 16.153 2.300) 16.354 12.290 ( 14.473 -2.562 -6.935) 16.252 12.814 ( 14.858 6.160 3.347) 16.429 13.380 ( -11.657 -8.049 5.915) 15.351 13.810 ( -0.448 3.896 1.640) 4.251 14.107 ( -5.430 -2.064 -3.065) 6.568 14.895 ( 12.043 6.144 4.023) 14.105 17.539 ( -15.201 0.332 -24.999) 29.259 18.831 ( 12.355 -1.513 3.419) 12.909 19.249 ( 3.678 3.255 2.726) 5.617 19.805 ( -5.886 3.404 2.157) 7.134 20.873 ( 2.372 -3.459 -14.149) 14.758 22.906 ( 7.459 13.161 14.738) 21.120 23.864 ( 5.333 -1.272 -6.524) 8.523 24.303 ( -0.475 -5.718 3.632) 6.791 ======================= Grid point 450 (220/432) ======================= q-point: (-0.45 0.55 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 12.889 -0.000 5.275) 13.927 2.747 ( -1.481 0.000 -2.563) 2.960 2.789 ( -2.340 0.000 5.242) 5.741 2.943 ( 3.556 -0.000 7.658) 8.444 3.194 ( 0.874 -0.000 -6.253) 6.313 3.246 ( -7.537 0.000 1.146) 7.623 4.273 ( 13.495 -0.000 -1.068) 13.537 4.299 ( 3.635 -0.000 -10.271) 10.895 4.776 ( -2.746 0.000 16.545) 16.772 5.051 ( -1.137 0.000 11.439) 11.496 5.432 ( -3.066 0.000 7.320) 7.936 5.935 ( -1.700 0.000 -1.882) 2.536 6.345 ( -2.308 0.000 13.466) 13.662 6.607 ( -3.060 0.000 23.919) 24.114 7.433 ( -11.911 0.000 4.053) 12.582 8.040 ( 12.401 -0.000 -4.330) 13.135 8.560 ( -25.081 0.000 20.749) 32.551 9.088 ( -7.582 0.000 7.615) 10.746 9.557 ( 9.307 -0.000 10.748) 14.217 10.837 ( 10.359 -0.000 11.784) 15.690 11.730 ( -14.066 0.000 -22.201) 26.282 12.004 ( 5.847 -0.000 -11.332) 12.752 12.315 ( -0.003 0.000 -1.980) 1.980 12.856 ( -3.190 0.000 -5.053) 5.976 13.314 ( -6.483 0.000 11.106) 12.859 14.193 ( 15.048 -0.000 10.172) 18.163 14.234 ( -14.489 0.000 -3.115) 14.820 14.361 ( 2.376 -0.000 -18.559) 18.710 18.052 ( 8.306 -0.000 22.635) 24.110 18.552 ( 5.419 -0.000 -14.409) 15.394 19.212 ( -9.815 0.000 -20.403) 22.641 19.878 ( 1.737 -0.000 -3.032) 3.494 21.551 ( -11.476 0.000 0.702) 11.498 21.963 ( 26.604 -0.000 7.838) 27.734 24.161 ( -6.620 0.000 -5.874) 8.850 24.277 ( -3.045 0.000 -1.908) 3.594 ======================= Grid point 452 (221/432) ======================= q-point: (-0.36 0.55 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 8.064 8.900 0.978) 12.050 2.648 ( 2.825 -0.344 3.985) 4.897 2.864 ( -4.210 -7.955 5.829) 10.723 3.058 ( -0.217 4.742 5.451) 7.228 3.126 ( 1.855 0.948 -2.555) 3.297 3.227 ( 4.981 -7.002 -5.994) 10.477 4.238 ( 6.501 2.404 -8.399) 10.890 4.443 ( 12.002 -2.167 -3.338) 12.644 4.882 ( -4.591 2.645 12.528) 13.603 5.132 ( -3.735 -3.311 4.746) 6.888 5.444 ( -7.089 1.781 8.312) 11.069 5.879 ( -5.010 -1.275 -0.469) 5.191 6.499 ( 1.269 -2.873 12.552) 12.939 6.759 ( -5.734 -3.368 5.285) 8.494 7.471 ( -3.204 -0.605 24.514) 24.730 8.147 ( 11.876 1.988 -3.989) 12.685 8.510 ( -23.564 -5.181 23.549) 33.715 9.080 ( -6.906 -1.120 7.706) 10.408 9.812 ( 9.621 -1.462 10.347) 14.205 11.030 ( 0.692 4.161 8.021) 9.063 11.286 ( -14.183 -0.700 -21.996) 26.182 11.990 ( 11.058 1.445 -8.447) 13.990 12.210 ( -2.545 13.784 -1.875) 14.142 12.795 ( 1.103 -5.899 -7.937) 9.951 13.326 ( -7.421 3.288 9.968) 12.854 14.019 ( -11.842 0.970 -1.436) 11.968 14.204 ( -3.264 -5.473 -12.212) 13.775 14.495 ( 14.176 0.480 8.777) 16.681 18.281 ( -2.376 -0.979 1.712) 3.088 18.524 ( 8.001 -0.231 -6.311) 10.193 18.954 ( -1.415 -2.533 -6.425) 7.049 19.878 ( 3.263 0.031 -2.978) 4.418 21.365 ( -9.983 2.740 -6.609) 12.282 22.393 ( 23.704 1.640 10.743) 26.077 24.018 ( -4.628 0.373 -5.727) 7.372 24.218 ( -3.370 -0.740 -1.293) 3.684 ======================= Grid point 453 (222/432) ======================= q-point: (-0.27 -0.45 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( -11.779 5.337 1.182) 12.985 2.803 ( -12.893 -10.261 2.347) 16.644 2.996 ( 12.533 5.411 3.527) 14.099 3.004 ( 5.359 1.374 5.174) 7.575 3.221 ( 3.396 1.065 3.286) 4.844 3.328 ( 17.793 -3.698 -8.350) 19.999 4.235 ( 6.814 0.367 -6.851) 9.670 4.515 ( 5.836 -0.640 -7.895) 9.839 4.893 ( -8.385 1.130 7.275) 11.159 5.115 ( -5.213 -2.388 0.058) 5.734 5.411 ( -8.587 4.465 9.162) 13.327 5.830 ( -6.770 -3.049 2.640) 7.881 6.582 ( -8.890 0.476 -2.618) 9.280 6.771 ( 1.876 -9.461 7.243) 12.062 7.852 ( 2.842 -3.337 34.162) 34.442 8.228 ( 10.036 2.870 -3.297) 10.947 8.552 ( -20.019 -7.440 24.837) 32.757 9.116 ( -4.558 -5.691 7.696) 10.601 10.046 ( 7.878 0.660 9.084) 12.042 10.825 ( -13.996 0.811 -16.895) 21.954 10.990 ( -10.228 5.066 -4.791) 12.379 11.982 ( -1.759 19.127 0.889) 19.229 12.127 ( 13.369 0.083 -5.342) 14.397 12.799 ( 8.027 -1.898 -7.113) 10.892 13.296 ( -11.292 -0.177 9.165) 14.544 13.895 ( -5.196 1.326 1.165) 5.488 14.089 ( -5.942 -8.033 -7.438) 12.456 14.758 ( 13.029 2.354 8.432) 15.697 18.018 ( -13.056 0.671 -21.930) 25.531 18.623 ( 10.837 -1.011 -0.025) 10.884 19.078 ( 6.237 -3.172 10.078) 12.269 19.886 ( 1.648 0.656 -1.539) 2.349 21.105 ( -6.760 3.976 -13.702) 15.788 22.790 ( 19.583 4.892 13.439) 24.249 23.909 ( -1.657 0.390 -5.586) 5.840 24.182 ( -3.361 -3.087 0.439) 4.585 ======================= Grid point 454 (223/432) ======================= q-point: (-0.18 -0.45 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -15.437 0.130 3.346) 15.796 2.671 ( -20.629 -11.098 2.268) 23.534 3.025 ( 4.922 4.327 0.395) 6.566 3.213 ( 3.187 2.501 0.781) 4.125 3.328 ( 17.265 3.472 3.245) 17.907 3.543 ( 19.024 -0.301 -1.827) 19.114 4.210 ( -3.438 0.403 -4.109) 5.373 4.452 ( 4.760 -0.601 -12.684) 13.561 4.801 ( -14.069 -2.496 2.065) 14.438 5.079 ( -1.471 0.758 0.591) 1.757 5.358 ( -7.408 5.711 7.909) 12.250 5.809 ( -6.258 -3.931 3.231) 8.065 6.360 ( -13.409 -0.052 -6.403) 14.859 7.006 ( 4.663 -9.128 9.184) 13.763 8.231 ( -0.314 -0.566 16.570) 16.583 8.303 ( 7.002 -1.892 3.190) 7.924 8.676 ( -16.646 -5.195 31.225) 35.764 9.238 ( -0.349 -12.384 6.207) 13.857 10.162 ( 0.136 8.391 5.310) 9.931 10.469 ( -14.596 -1.592 -13.103) 19.679 10.737 ( -5.872 4.959 -7.362) 10.643 11.798 ( -2.878 17.717 1.692) 18.028 12.248 ( 12.840 -2.288 -8.188) 15.399 12.896 ( 13.190 1.880 -0.556) 13.334 13.250 ( -14.524 -5.008 9.301) 17.960 13.875 ( 1.220 3.347 2.512) 4.359 14.016 ( -6.766 -8.095 -2.516) 10.846 14.989 ( 13.467 4.671 6.684) 15.744 17.545 ( -15.039 0.343 -26.451) 30.429 18.810 ( 12.300 -0.947 4.294) 13.062 19.284 ( 6.059 0.972 8.264) 10.293 19.857 ( -4.077 2.512 0.963) 4.885 20.853 ( 0.573 0.658 -18.498) 18.518 23.108 ( 12.372 10.344 15.625) 22.455 23.845 ( 2.820 -0.727 -7.063) 7.640 24.202 ( -2.715 -6.083 3.776) 7.657 ======================= Grid point 455 (224/432) ======================= q-point: (-0.09 -0.45 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -17.434 -4.284 4.755) 18.572 2.518 ( -20.540 -11.767 0.815) 23.686 3.047 ( 3.228 2.769 -0.664) 4.305 3.224 ( 3.197 4.057 1.426) 5.358 3.516 ( 11.712 5.349 -0.160) 12.876 3.744 ( 8.057 1.828 2.417) 8.608 4.052 ( -12.323 -3.714 -0.649) 12.887 4.421 ( 12.859 3.980 -11.745) 17.865 4.636 ( -15.454 -3.031 -0.232) 15.750 5.065 ( -0.199 2.135 0.610) 2.229 5.293 ( -5.284 6.427 3.699) 9.105 5.802 ( -4.221 -4.841 1.547) 6.606 6.122 ( -13.708 -0.903 -3.703) 14.228 7.218 ( 1.202 -5.927 9.429) 11.202 8.238 ( 7.214 5.088 -10.430) 13.664 8.477 ( -14.561 -8.457 21.255) 27.117 8.845 ( -12.429 0.846 24.335) 27.338 9.437 ( 2.942 -16.434 3.114) 16.983 9.999 ( -12.033 19.462 1.772) 22.950 10.183 ( -8.755 0.225 -5.763) 10.484 10.701 ( 5.363 -7.715 -2.778) 9.798 11.665 ( -0.225 12.306 0.923) 12.343 12.323 ( 11.413 -4.945 -11.067) 16.649 13.064 ( 11.197 1.340 1.123) 11.333 13.207 ( -16.510 -5.840 11.510) 20.956 13.917 ( 5.428 4.851 2.990) 7.870 13.994 ( -4.632 -5.869 1.884) 7.710 15.176 ( 14.565 8.351 2.855) 17.030 17.056 ( -15.726 -0.711 -23.094) 27.949 19.051 ( 13.002 -0.897 7.257) 14.917 19.371 ( 2.623 7.470 1.807) 8.121 19.785 ( -4.608 1.576 2.750) 5.592 20.715 ( 7.061 -4.656 -18.559) 20.396 23.252 ( -0.574 17.404 15.248) 23.146 23.853 ( 9.764 -3.805 -8.859) 13.722 24.303 ( -0.769 -7.293 8.164) 10.974 ======================= Grid point 463 (225/432) ======================= q-point: (-0.36 -0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -16.515 0.000 1.244) 16.561 2.691 ( -11.560 0.000 2.044) 11.740 3.008 ( 14.461 -0.000 9.829) 17.485 3.084 ( 6.617 -0.000 -2.323) 7.013 3.195 ( 2.968 -0.000 -0.275) 2.981 3.306 ( 18.917 -0.000 -2.896) 19.137 4.237 ( 8.149 -0.000 -9.008) 12.147 4.496 ( 1.799 -0.000 -5.059) 5.369 4.915 ( -7.836 0.000 5.533) 9.593 5.090 ( -3.622 0.000 0.497) 3.656 5.453 ( -8.322 0.000 9.605) 12.709 5.801 ( -7.132 0.000 2.536) 7.569 6.607 ( -11.276 0.000 -6.044) 12.794 6.665 ( 5.633 -0.000 10.274) 11.717 7.823 ( 3.685 -0.000 32.172) 32.383 8.261 ( 13.217 -0.000 -7.275) 15.087 8.483 ( -22.992 0.000 30.796) 38.432 9.068 ( -6.742 0.000 7.659) 10.204 10.052 ( 9.442 -0.000 10.350) 14.010 10.822 ( -15.473 0.000 -22.711) 27.481 11.041 ( -8.882 0.000 0.246) 8.885 12.111 ( 15.523 -0.000 -5.133) 16.350 12.202 ( -5.136 0.000 -1.961) 5.498 12.732 ( 5.752 -0.000 -4.385) 7.233 13.321 ( -11.319 0.000 8.714) 14.285 13.907 ( -4.844 0.000 1.526) 5.079 14.004 ( -5.515 0.000 -8.370) 10.023 14.780 ( 12.979 -0.000 9.196) 15.907 18.024 ( -12.959 0.000 -22.107) 25.625 18.614 ( 10.596 -0.000 0.418) 10.604 19.050 ( 7.363 -0.000 11.451) 13.614 19.891 ( 2.469 -0.000 -1.872) 3.098 21.143 ( -6.933 0.000 -14.757) 16.305 22.832 ( 20.795 -0.000 13.583) 24.838 23.913 ( -2.116 0.000 -5.282) 5.690 24.154 ( -4.423 0.000 0.096) 4.424 ======================= Grid point 464 (226/432) ======================= q-point: (-0.27 -0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -18.694 2.774 5.045) 19.560 2.501 ( -22.393 -7.400 1.836) 23.656 3.119 ( 6.582 5.838 0.423) 8.808 3.219 ( 2.591 -2.364 -1.855) 3.968 3.363 ( 20.329 1.064 4.023) 20.750 3.550 ( 20.482 0.727 -0.317) 20.498 4.240 ( 2.284 3.266 -6.411) 7.549 4.367 ( -7.422 -6.588 -8.559) 13.105 4.810 ( -11.266 1.507 0.394) 11.373 5.080 ( 0.889 -0.241 0.286) 0.965 5.433 ( -7.274 2.618 7.084) 10.486 5.757 ( -7.101 -1.867 4.543) 8.634 6.363 ( -13.207 0.255 -7.276) 15.080 6.880 ( 7.848 -4.624 7.900) 12.057 8.173 ( -5.451 -2.923 25.892) 26.621 8.327 ( 11.740 1.858 -8.814) 14.798 8.624 ( -13.007 -1.396 35.553) 37.884 9.092 ( -4.642 -4.673 7.034) 9.636 10.262 ( 4.964 3.776 8.157) 10.269 10.394 ( -12.619 -3.952 -18.984) 23.136 10.858 ( -9.762 4.950 -4.775) 11.941 12.052 ( -7.231 10.118 -0.537) 12.448 12.219 ( 11.535 -0.985 -8.874) 14.587 12.847 ( 10.788 -4.819 -0.349) 11.821 13.255 ( -13.014 3.091 11.772) 17.818 13.877 ( -7.426 -5.783 -2.970) 9.870 13.917 ( 1.951 0.917 2.858) 3.580 15.044 ( 13.589 1.694 7.893) 15.806 17.549 ( -14.909 0.143 -27.387) 31.182 18.799 ( 12.386 -0.306 4.746) 13.268 19.290 ( 7.137 0.046 11.969) 13.936 19.885 ( -2.243 0.834 0.124) 2.396 20.873 ( -0.806 1.032 -21.632) 21.672 23.232 ( 17.067 3.990 15.324) 23.282 23.844 ( 0.406 0.377 -4.798) 4.830 24.116 ( -4.917 -3.295 2.479) 6.417 ======================= Grid point 465 (227/432) ======================= q-point: (-0.18 -0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -21.057 1.418 7.026) 22.243 2.309 ( -23.094 -12.261 2.967) 26.315 3.109 ( 0.980 3.939 -3.445) 5.324 3.275 ( 5.315 1.727 1.985) 5.930 3.593 ( 13.369 3.696 -0.602) 13.884 3.791 ( 11.597 3.570 2.177) 12.327 4.001 ( -16.204 -2.220 -2.485) 16.543 4.388 ( 8.440 -6.019 -7.057) 12.541 4.639 ( -9.445 2.308 -1.614) 9.856 5.092 ( 0.162 1.263 0.452) 1.351 5.385 ( -4.085 3.980 2.686) 6.304 5.737 ( -5.745 -2.819 3.153) 7.134 6.111 ( -13.795 -0.404 -5.085) 14.708 7.109 ( 6.907 -6.031 6.733) 11.376 8.312 ( -7.901 -2.441 6.210) 10.341 8.344 ( 0.071 -0.123 6.375) 6.376 8.872 ( -9.370 1.598 28.062) 29.628 9.196 ( 1.186 -11.246 3.681) 11.893 10.063 ( -6.468 -5.922 -13.657) 16.230 10.318 ( -10.203 12.092 5.632) 16.794 10.706 ( 3.885 4.124 -2.150) 6.060 11.868 ( -6.432 10.537 0.054) 12.346 12.250 ( 9.436 -3.547 -12.164) 15.798 13.014 ( 5.541 -4.824 -0.488) 7.363 13.218 ( -9.803 5.154 15.853) 19.339 13.846 ( -6.572 -9.989 2.760) 12.271 13.986 ( 5.473 2.692 2.607) 6.633 15.283 ( 15.225 4.337 5.054) 16.618 17.047 ( -15.662 -0.372 -24.729) 29.274 19.039 ( 13.164 -0.437 7.070) 14.948 19.472 ( 4.620 4.182 7.591) 9.821 19.807 ( -8.176 1.054 0.995) 8.303 20.662 ( 8.009 -1.753 -23.395) 24.790 23.519 ( 7.474 13.080 16.253) 22.161 23.808 ( 5.769 -0.780 -8.001) 9.895 24.165 ( -3.125 -8.849 7.822) 12.217 ======================= Grid point 466 (228/432) ======================= q-point: (-0.09 -0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -22.167 -3.579 8.299) 23.938 2.141 ( -22.947 -11.742 0.873) 25.791 3.031 ( -5.277 -2.369 -2.190) 6.185 3.356 ( 4.648 4.509 4.354) 7.803 3.600 ( -15.712 1.896 2.332) 15.996 3.653 ( -4.465 3.881 -1.224) 6.041 4.110 ( 13.787 0.043 2.771) 14.063 4.395 ( -7.570 -4.176 -1.707) 8.813 4.567 ( 10.599 6.602 -5.185) 13.520 5.075 ( -1.785 0.867 0.774) 2.130 5.302 ( -1.794 6.206 -4.158) 7.683 5.731 ( -2.534 -4.315 0.863) 5.078 5.921 ( -11.737 -1.917 0.929) 11.929 7.288 ( 1.106 -3.565 7.242) 8.147 8.232 ( -3.395 3.954 -3.055) 6.041 8.422 ( -11.028 -5.364 13.260) 18.062 8.906 ( -10.149 4.271 6.404) 12.738 9.374 ( 2.005 -15.035 3.991) 15.684 9.990 ( -7.611 10.428 -2.727) 13.195 10.073 ( -3.356 -1.364 2.495) 4.399 10.786 ( 7.389 3.216 4.136) 9.058 11.709 ( -5.119 7.635 -1.778) 9.363 12.274 ( 9.697 -6.597 -12.914) 17.445 13.009 ( -9.669 -2.235 1.387) 10.020 13.271 ( -2.396 3.346 10.997) 11.742 13.929 ( -1.624 -9.658 3.765) 10.492 14.067 ( 7.063 2.763 2.396) 7.954 15.467 ( 15.924 8.651 -0.089) 18.122 16.641 ( -14.519 -1.517 -10.280) 17.854 19.303 ( 12.919 -0.870 7.508) 14.968 19.438 ( -4.592 9.230 -1.906) 10.484 19.781 ( 0.441 -3.196 3.513) 4.770 20.577 ( 11.051 -3.961 -19.786) 23.007 23.511 ( -8.682 22.098 11.920) 26.566 23.867 ( 12.933 -4.452 -8.877) 16.306 24.355 ( 1.320 -9.087 12.559) 15.558 ======================= Grid point 475 (229/432) ======================= q-point: (-0.27 -0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( -20.892 0.000 9.887) 23.114 2.162 ( -25.716 0.000 1.570) 25.764 3.149 ( -1.874 0.000 -5.741) 6.039 3.286 ( 8.176 -0.000 3.005) 8.710 3.628 ( 13.773 -0.000 -0.061) 13.773 3.829 ( 18.036 -0.000 1.519) 18.100 3.986 ( -23.361 0.000 -3.438) 23.613 4.318 ( 6.833 -0.000 -3.219) 7.553 4.663 ( -6.426 0.000 -3.763) 7.447 5.104 ( 0.626 -0.000 0.445) 0.768 5.419 ( -4.001 0.000 2.087) 4.512 5.712 ( -6.319 0.000 4.203) 7.589 6.108 ( -13.768 0.000 -5.783) 14.933 7.052 ( 9.359 -0.000 5.479) 10.845 8.256 ( -18.484 0.000 22.531) 29.143 8.382 ( 10.233 -0.000 -8.361) 13.214 8.887 ( -9.249 0.000 29.976) 31.371 9.095 ( 0.668 -0.000 2.970) 3.044 10.007 ( -7.637 0.000 -16.226) 17.933 10.422 ( -5.436 0.000 8.474) 10.067 10.751 ( 2.061 -0.000 -4.054) 4.548 11.967 ( -9.791 0.000 -0.585) 9.809 12.216 ( 8.428 -0.000 -12.558) 15.124 12.969 ( 8.207 -0.000 0.979) 8.265 13.284 ( -10.375 0.000 17.517) 20.359 13.735 ( -8.010 0.000 1.405) 8.132 14.009 ( 5.704 -0.000 2.653) 6.291 15.320 ( 15.356 -0.000 5.850) 16.432 17.044 ( -15.610 0.000 -25.379) 29.796 19.036 ( 13.212 -0.000 6.978) 14.941 19.507 ( 5.662 -0.000 10.611) 12.027 19.817 ( -9.621 0.000 -0.178) 9.623 20.649 ( 8.238 -0.000 -25.695) 26.983 23.632 ( 17.464 -0.000 10.052) 20.150 23.829 ( -0.168 0.000 2.590) 2.596 24.060 ( -6.450 0.000 4.176) 7.684 ======================= Grid point 476 (230/432) ======================= q-point: (-0.18 -0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -25.554 2.093 6.327) 26.408 1.958 ( -23.867 -8.697 6.957) 26.337 3.001 ( -12.568 -0.984 -3.489) 13.080 3.417 ( 7.147 2.303 3.154) 8.144 3.628 ( -23.029 1.105 4.803) 23.550 3.710 ( 3.758 1.856 -4.597) 6.221 4.129 ( 18.616 2.394 2.171) 18.894 4.306 ( -8.918 -5.168 1.090) 10.365 4.652 ( 13.580 2.868 -5.316) 14.862 5.085 ( -3.906 0.329 0.778) 3.997 5.372 ( -0.102 2.065 -5.425) 5.806 5.682 ( -3.994 -1.445 1.799) 4.613 5.898 ( -12.427 -0.754 0.301) 12.454 7.232 ( 7.762 -2.272 3.681) 8.886 8.225 ( -22.246 -2.358 17.743) 28.553 8.419 ( 8.111 2.585 -3.704) 9.284 8.955 ( -13.843 1.161 10.875) 17.642 9.177 ( 3.720 -6.730 0.712) 7.723 9.888 ( 3.202 -5.236 -3.560) 7.096 10.277 ( -14.181 8.671 0.202) 16.623 10.847 ( 10.036 2.221 3.436) 10.838 11.816 ( -9.280 3.792 -0.548) 10.040 12.189 ( 8.442 -3.006 -13.240) 15.988 13.023 ( -0.957 2.439 -0.283) 2.635 13.343 ( -6.406 4.679 14.009) 16.099 13.724 ( -5.848 -11.006 5.071) 13.455 14.111 ( 6.846 1.508 1.323) 7.134 15.565 ( 16.424 2.976 1.870) 16.795 16.622 ( -14.724 -0.604 -10.635) 18.173 19.293 ( 13.023 -0.341 7.088) 14.831 19.584 ( -8.308 7.647 -1.471) 11.387 19.709 ( -1.109 -5.283 4.592) 7.087 20.533 ( 14.017 -1.338 -22.478) 26.524 23.810 ( 10.834 -0.923 -9.271) 14.289 23.870 ( -1.660 18.906 12.882) 22.938 24.158 ( -0.179 -14.572 13.612) 19.942 ======================= Grid point 477 (231/432) ======================= q-point: (-0.09 -0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -24.516 -4.981 9.494) 26.758 1.740 ( -26.476 -8.212 0.354) 27.722 2.836 ( -23.423 -7.737 13.599) 28.168 3.388 ( -11.695 4.889 3.133) 13.058 3.550 ( 4.520 1.594 1.744) 5.101 3.633 ( -2.914 3.723 -3.990) 6.186 4.143 ( -10.132 -0.961 1.168) 10.245 4.456 ( 16.290 0.308 4.503) 16.903 4.725 ( 10.205 8.260 -5.361) 14.181 5.044 ( -3.445 -1.844 0.226) 3.914 5.236 ( -0.941 3.815 -11.613) 12.260 5.690 ( 1.374 -3.648 -0.264) 3.907 5.834 ( -7.293 -1.707 9.247) 11.899 7.349 ( 1.016 -0.192 3.786) 3.924 8.124 ( -18.708 -2.462 9.749) 21.239 8.459 ( 1.033 6.081 4.736) 7.777 8.815 ( -4.474 1.761 -8.006) 9.339 9.346 ( 1.525 -12.839 8.442) 15.442 9.939 ( -5.675 7.993 -4.316) 10.710 10.066 ( 0.381 -4.895 1.938) 5.278 10.987 ( 7.333 5.279 5.367) 10.509 11.625 ( -10.939 5.705 -4.297) 13.064 12.198 ( 9.294 -5.592 -12.299) 16.399 12.899 ( -11.102 5.507 0.707) 12.413 13.340 ( -4.761 0.997 3.574) 6.036 13.806 ( -3.643 -13.804 -3.610) 14.726 14.193 ( 6.638 1.467 0.700) 6.834 15.722 ( 15.002 7.408 -3.529) 17.099 16.532 ( -4.696 0.261 20.155) 20.697 19.318 ( -6.789 2.617 -10.778) 13.004 19.558 ( 9.809 0.547 8.127) 12.750 19.822 ( 2.267 -4.301 5.029) 6.995 20.502 ( 13.494 -1.352 -18.280) 22.761 23.677 ( -10.414 24.342 6.437) 27.247 23.913 ( 10.944 -2.285 -6.172) 12.771 24.443 ( 2.755 -10.841 10.595) 15.407 ======================= Grid point 487 (232/432) ======================= q-point: (-0.18 -0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -26.119 0.000 7.134) 27.076 1.665 ( -27.501 0.000 3.629) 27.739 2.771 ( -27.243 0.000 15.524) 31.356 3.444 ( -13.946 0.000 4.088) 14.532 3.551 ( 8.175 -0.000 -0.449) 8.187 3.666 ( -3.031 0.000 -5.077) 5.913 4.136 ( -11.410 0.000 2.205) 11.621 4.454 ( 19.580 -0.000 4.531) 20.097 4.807 ( 13.474 -0.000 -5.011) 14.376 5.018 ( -6.682 0.000 0.083) 6.683 5.268 ( -0.470 0.000 -13.282) 13.290 5.659 ( 0.503 -0.000 0.157) 0.527 5.818 ( -7.468 0.000 9.864) 12.372 7.344 ( 6.770 -0.000 0.114) 6.771 8.093 ( -24.983 0.000 16.467) 29.922 8.534 ( 10.608 -0.000 0.000) 10.608 8.826 ( -8.437 0.000 -6.101) 10.412 9.220 ( 0.511 -0.000 8.645) 8.660 9.920 ( 6.581 -0.000 -1.809) 6.825 10.116 ( -12.749 0.000 -2.535) 12.998 11.026 ( 8.325 -0.000 3.837) 9.166 11.684 ( -11.953 0.000 -2.286) 12.170 12.151 ( 9.986 -0.000 -12.025) 15.631 12.996 ( -4.233 0.000 -2.264) 4.800 13.340 ( -10.641 0.000 -3.006) 11.058 13.642 ( -6.156 0.000 5.174) 8.042 14.210 ( 6.516 -0.000 -0.342) 6.525 15.785 ( 15.318 -0.000 -3.129) 15.635 16.534 ( -3.984 0.000 22.655) 23.003 19.339 ( -8.145 0.000 -12.874) 15.234 19.569 ( 8.544 -0.000 9.762) 12.973 19.780 ( 1.064 -0.000 5.175) 5.283 20.491 ( 15.187 -0.000 -18.901) 24.246 23.862 ( 11.879 -0.000 -7.793) 14.207 23.993 ( -8.855 0.000 7.515) 11.614 24.279 ( 4.101 -0.000 11.307) 12.028 ======================= Grid point 488 (233/432) ======================= q-point: (-0.09 -0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -27.245 -3.279 5.504) 27.988 1.363 ( -22.908 -6.638 11.387) 26.429 2.687 ( -32.498 -3.981 34.376) 47.473 3.317 ( -4.978 2.866 -1.414) 5.915 3.520 ( -8.016 1.785 -4.054) 9.158 3.638 ( 7.534 -0.953 -4.644) 8.902 4.061 ( -6.274 0.892 5.617) 8.468 4.724 ( 9.112 1.453 6.948) 11.551 4.802 ( 2.256 8.723 -9.328) 12.969 4.930 ( -1.497 -5.641 -8.985) 10.714 5.167 ( 4.522 0.839 -2.980) 5.480 5.718 ( 6.821 -1.943 0.243) 7.097 5.899 ( -3.374 -0.448 15.407) 15.778 7.390 ( 1.766 1.789 -1.534) 2.945 7.964 ( -20.112 -2.123 12.395) 23.720 8.583 ( -5.865 8.334 -4.520) 11.148 8.712 ( 8.370 0.028 -0.838) 8.412 9.403 ( 3.140 -8.577 12.352) 15.362 9.883 ( -5.961 8.864 -4.089) 11.438 10.017 ( 2.739 -9.444 -3.478) 10.430 11.134 ( 2.732 2.935 1.108) 4.160 11.384 ( -21.605 2.586 -9.722) 23.832 12.177 ( 11.256 -1.224 -10.049) 15.138 12.816 ( -11.446 10.303 -0.885) 15.425 13.131 ( -12.097 -14.419 -9.664) 21.158 13.636 ( -5.527 -3.642 2.563) 7.098 14.281 ( 5.438 0.494 -0.603) 5.493 15.879 ( 11.676 3.963 -9.181) 15.373 17.033 ( 19.881 4.425 44.537) 48.973 19.087 ( -4.436 -2.080 -15.558) 16.312 19.751 ( 3.318 5.028 4.343) 7.426 19.861 ( 1.846 -7.257 6.029) 9.613 20.496 ( 15.648 0.222 -15.684) 22.157 23.808 ( -9.617 25.375 3.176) 27.322 23.970 ( 8.725 -1.520 -4.099) 9.759 24.393 ( -4.635 -14.564 -3.570) 15.696 ======================= Grid point 499 (234/432) ======================= q-point: (-0.09 -0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -11.721 0.000 20.595) 23.697 1.248 ( -16.575 0.000 18.983) 25.201 2.639 ( -35.210 0.000 37.396) 51.364 3.314 ( 4.256 -0.000 1.458) 4.499 3.359 ( -10.095 0.000 -3.514) 10.689 3.670 ( 10.440 -0.000 -8.826) 13.671 4.097 ( -3.564 0.000 9.567) 10.209 4.619 ( -10.045 0.000 -11.132) 14.994 4.775 ( -0.423 0.000 -11.306) 11.314 4.916 ( 5.319 -0.000 3.719) 6.490 5.313 ( 13.504 -0.000 3.841) 14.040 5.832 ( 8.924 -0.000 1.890) 9.122 6.073 ( -1.102 0.000 20.924) 20.953 7.375 ( 0.835 -0.000 -6.104) 6.161 7.855 ( -15.091 0.000 9.870) 18.032 8.364 ( -14.491 0.000 -6.775) 15.997 8.955 ( 10.139 -0.000 11.560) 15.376 9.537 ( 1.557 -0.000 8.628) 8.768 9.842 ( -3.211 0.000 -0.689) 3.284 9.949 ( 5.566 -0.000 -5.850) 8.075 10.838 ( -37.516 0.000 -9.920) 38.805 11.171 ( 0.535 -0.000 -2.211) 2.275 12.220 ( 11.169 -0.000 -9.771) 14.839 12.739 ( -8.690 0.000 -2.719) 9.106 12.821 ( -11.367 0.000 5.464) 12.613 13.607 ( -3.695 0.000 3.685) 5.219 14.329 ( 3.223 -0.000 -1.611) 3.603 15.880 ( 6.704 -0.000 -14.897) 16.336 17.963 ( 42.018 -0.000 35.571) 55.053 18.853 ( -0.320 0.000 -17.078) 17.081 19.755 ( -5.254 0.000 -3.741) 6.450 19.912 ( -0.869 0.000 4.166) 4.255 20.588 ( 19.934 -0.000 -8.405) 21.634 23.850 ( -26.704 0.000 -19.956) 33.337 23.925 ( -9.545 0.000 7.821) 12.340 24.065 ( 5.047 -0.000 -6.511) 8.238 ======================= Grid point 500 (235/432) ======================= q-point: ( 0.00 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 0.072 -0.000 24.421) 24.421 2.067 ( 0.595 -0.000 16.000) 16.011 2.991 ( -1.443 0.000 -4.252) 4.490 3.236 ( 8.082 -0.000 8.098) 11.441 3.563 ( 9.726 -0.000 -10.486) 14.302 3.722 ( -4.935 0.000 -12.189) 13.151 3.833 ( -3.567 0.000 4.752) 5.942 3.983 ( -9.800 0.000 -9.869) 13.908 4.710 ( 5.721 -0.000 10.552) 12.003 5.159 ( -3.528 0.000 6.584) 7.469 5.630 ( 1.161 -0.000 -0.068) 1.163 6.128 ( 3.690 -0.000 1.827) 4.118 7.019 ( -6.296 0.000 -4.383) 7.672 7.238 ( 1.966 -0.000 14.652) 14.784 7.794 ( -1.690 0.000 24.771) 24.829 8.816 ( -22.527 0.000 30.000) 37.517 9.420 ( -6.000 0.000 6.125) 8.574 9.766 ( 11.773 -0.000 8.499) 14.520 9.781 ( -11.801 0.000 6.443) 13.446 9.896 ( -0.843 0.000 -1.863) 2.045 10.791 ( -6.226 0.000 -9.071) 11.002 10.965 ( 20.681 -0.000 12.772) 24.307 11.787 ( 6.786 -0.000 -17.658) 18.917 12.398 ( -9.587 0.000 -7.803) 12.361 13.240 ( -1.915 0.000 12.744) 12.887 13.694 ( 4.642 -0.000 0.321) 4.653 14.243 ( -2.855 0.000 -1.334) 3.151 15.126 ( -0.921 0.000 -18.255) 18.278 18.285 ( 12.546 -0.000 -14.083) 18.861 18.909 ( -15.210 0.000 -17.567) 23.237 19.477 ( 23.147 -0.000 -1.084) 23.173 19.605 ( -10.177 0.000 -4.404) 11.089 21.338 ( 24.173 -0.000 9.720) 26.054 22.206 ( -40.795 0.000 -3.210) 40.921 23.919 ( -8.725 0.000 2.883) 9.189 24.129 ( 10.535 -0.000 -3.906) 11.236 ======================= Grid point 501 (236/432) ======================= q-point: ( 0.09 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 3.485 2.418 14.503) 15.110 2.360 ( 3.132 -4.038 19.412) 20.074 2.967 ( 3.887 1.043 -1.847) 4.428 3.371 ( 7.103 8.239 -10.940) 15.428 3.455 ( -7.258 0.339 -1.897) 7.509 3.588 ( 7.550 -5.573 -8.996) 13.000 3.759 ( -7.721 -1.758 -7.824) 11.132 3.903 ( 1.621 -2.595 1.791) 3.545 4.900 ( 4.974 0.415 10.010) 11.185 5.197 ( -3.086 -1.474 6.762) 7.577 5.595 ( -5.696 0.664 0.227) 5.739 6.153 ( -0.924 1.276 0.776) 1.756 6.883 ( -8.629 -0.130 -2.336) 8.940 7.312 ( -4.243 0.835 5.124) 6.705 8.133 ( -1.622 2.722 36.596) 36.733 8.814 ( -20.079 6.440 23.170) 31.329 9.334 ( -8.157 10.300 7.152) 14.959 9.814 ( 6.252 11.390 13.978) 19.084 9.828 ( -13.409 -15.893 -6.676) 21.840 10.101 ( 13.999 -14.130 7.747) 21.346 10.579 ( -5.714 4.628 -8.762) 11.438 11.447 ( 23.165 -6.790 12.457) 27.164 11.717 ( 9.184 -1.248 -14.767) 17.435 12.151 ( -5.542 3.612 -13.458) 14.996 13.357 ( -2.591 -3.588 10.263) 11.177 13.779 ( 5.884 -2.905 -0.233) 6.566 14.182 ( -4.826 0.685 -0.142) 4.876 14.908 ( -2.248 2.386 -14.279) 14.650 18.338 ( 14.940 0.288 -8.618) 17.250 18.474 ( -17.036 0.591 -19.925) 26.222 19.415 ( -9.348 1.826 -3.168) 10.037 19.709 ( 13.864 -1.001 -3.873) 14.430 21.655 ( -21.688 7.657 2.134) 23.099 21.801 ( 11.970 -6.130 8.030) 15.664 23.852 ( -6.054 -2.099 0.706) 6.446 24.224 ( 9.208 -0.009 -2.518) 9.546 ======================= Grid point 502 (237/432) ======================= q-point: ( 0.18 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 3.436 4.768 11.046) 12.512 2.631 ( 6.973 -5.482 9.929) 13.314 3.030 ( 5.096 1.968 3.311) 6.387 3.164 ( -1.510 1.373 -12.721) 12.884 3.361 ( -0.473 7.700 -5.411) 9.423 3.538 ( -6.738 2.152 -1.290) 7.190 3.768 ( 7.747 -12.429 -8.333) 16.851 3.982 ( 5.646 -4.285 0.628) 7.116 5.038 ( 0.916 0.511 7.589) 7.662 5.228 ( -2.702 -1.526 0.845) 3.216 5.487 ( -12.291 0.715 3.866) 12.905 6.112 ( -2.797 2.314 -0.513) 3.666 6.731 ( -12.054 0.059 -1.032) 12.098 7.297 ( -4.170 0.189 4.499) 6.137 8.425 ( -6.532 7.199 24.259) 26.134 8.718 ( -12.386 14.090 20.589) 27.854 9.281 ( -8.169 3.545 12.117) 15.037 9.695 ( -17.325 -19.895 -5.186) 26.886 9.974 ( 8.356 16.149 14.689) 23.375 10.345 ( -8.672 -1.677 -7.634) 11.675 10.537 ( 16.234 -15.102 5.664) 22.884 11.615 ( -2.339 3.964 -14.558) 15.268 11.889 ( 18.449 2.192 2.377) 18.730 12.059 ( 19.026 -4.653 -3.432) 19.885 13.458 ( -3.020 -5.501 7.484) 9.767 13.875 ( 3.340 -5.943 -1.620) 7.007 14.103 ( -6.118 1.588 1.093) 6.414 14.726 ( -0.770 2.630 -9.547) 9.933 18.016 ( -17.285 0.238 -19.985) 26.424 18.481 ( 16.188 0.123 -2.402) 16.366 19.257 ( -8.174 -0.015 -2.626) 8.586 19.791 ( 4.878 -0.085 -3.317) 5.900 21.274 ( -19.467 5.505 -3.074) 20.463 22.214 ( 17.634 -5.254 12.904) 22.474 23.809 ( -2.330 -1.823 -1.601) 3.364 24.312 ( 7.472 0.778 -0.822) 7.557 ======================= Grid point 503 (238/432) ======================= q-point: ( 0.27 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( -3.114 5.195 3.728) 7.112 2.878 ( 10.180 -5.212 5.107) 12.525 3.008 ( -2.947 -2.177 -8.358) 9.125 3.119 ( 2.956 2.921 0.105) 4.157 3.242 ( -1.557 7.345 0.372) 7.517 3.489 ( 1.675 2.034 4.311) 5.052 3.855 ( 8.250 -11.977 -11.546) 18.569 4.137 ( 7.621 -4.549 2.572) 9.241 5.081 ( -5.163 -0.837 4.685) 7.022 5.110 ( -9.710 0.744 -7.563) 12.330 5.392 ( -12.140 -0.771 7.837) 14.470 6.040 ( -2.171 3.417 -1.949) 4.493 6.542 ( -14.722 1.133 0.093) 14.765 7.316 ( -1.572 -1.246 4.590) 5.009 8.319 ( -7.653 14.108 0.700) 16.065 8.821 ( -5.701 6.609 24.511) 26.019 9.282 ( -13.804 -0.389 14.404) 19.955 9.623 ( -15.209 -17.630 2.859) 23.458 10.016 ( -2.794 11.230 3.659) 12.138 10.197 ( -3.683 -1.966 -2.207) 4.722 10.944 ( 16.327 -9.188 6.713) 19.901 11.336 ( -3.052 10.261 -12.393) 16.377 12.031 ( 20.545 2.382 -11.811) 23.818 12.479 ( 22.273 -4.176 10.060) 24.794 13.549 ( -2.334 -6.099 7.098) 9.645 13.872 ( -6.317 -0.315 -1.275) 6.452 14.048 ( -3.078 -3.097 -0.673) 4.418 14.660 ( 4.515 -2.154 -5.095) 7.140 17.568 ( -17.648 0.174 -18.222) 25.368 18.702 ( 16.042 0.299 3.802) 16.489 19.152 ( -4.339 -2.536 -2.951) 5.828 19.788 ( -1.271 -1.484 -1.367) 2.385 20.983 ( -9.249 6.531 -6.812) 13.214 22.620 ( 11.890 -8.014 14.278) 20.235 23.783 ( 2.185 0.145 -4.309) 4.834 24.389 ( 5.398 1.810 1.503) 5.888 ======================= Grid point 504 (239/432) ======================= q-point: (-0.64 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( -9.424 3.265 3.897) 10.707 2.834 ( -10.934 -3.318 -9.405) 14.799 3.033 ( 3.977 5.049 0.820) 6.479 3.125 ( 3.185 0.014 1.089) 3.366 3.285 ( 8.174 -0.342 4.220) 9.205 3.612 ( 6.775 -1.410 5.488) 8.832 3.958 ( 12.253 -9.141 -9.724) 18.118 4.265 ( 2.204 0.224 3.448) 4.099 4.843 ( -16.263 0.069 -5.747) 17.249 5.043 ( -7.508 -2.808 1.520) 8.159 5.323 ( -10.339 -1.902 3.297) 11.018 5.954 ( -1.159 4.583 -3.606) 5.945 6.342 ( -15.128 1.927 2.217) 15.411 7.369 ( -0.019 -1.759 3.955) 4.328 8.127 ( -1.379 9.867 -4.964) 11.131 8.906 ( -8.328 1.965 12.348) 15.023 9.238 ( -18.342 -1.259 13.889) 23.042 9.633 ( -13.344 -12.508 8.051) 19.983 9.890 ( -6.202 0.977 -2.047) 6.604 10.161 ( -5.192 0.844 2.945) 6.029 11.054 ( 9.938 24.043 -5.952) 26.688 11.331 ( 7.256 -11.856 4.785) 14.701 12.121 ( 19.471 3.831 -14.992) 24.871 12.857 ( 16.145 -1.592 5.991) 17.294 13.661 ( -7.485 0.433 14.135) 16.000 13.754 ( -2.895 -1.766 -2.080) 3.979 14.029 ( -1.962 -4.434 -2.165) 5.310 14.758 ( 9.341 -9.620 -3.989) 13.990 17.151 ( -17.752 0.997 -12.669) 21.832 18.972 ( 14.841 1.060 8.450) 17.111 19.120 ( 0.279 -6.457 -4.904) 8.113 19.771 ( -2.428 -2.826 -0.004) 3.726 20.753 ( -2.474 8.306 -9.800) 13.083 22.968 ( 3.106 -12.380 13.949) 18.907 23.766 ( 7.760 3.824 -7.027) 11.146 24.463 ( 3.602 2.353 4.732) 6.396 ======================= Grid point 505 (240/432) ======================= q-point: (-0.55 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -14.987 3.008 8.361) 17.423 2.561 ( -16.506 1.235 -7.787) 18.292 3.040 ( 5.020 3.162 -2.068) 6.283 3.218 ( 4.853 -1.745 4.249) 6.682 3.435 ( 4.723 -3.860 1.489) 6.279 3.784 ( 4.704 -5.919 3.067) 8.159 4.078 ( 10.686 -1.416 -5.822) 12.251 4.258 ( -3.132 5.044 4.241) 7.296 4.606 ( -15.017 -3.114 -1.188) 15.382 5.000 ( -3.038 -4.590 -1.250) 5.645 5.227 ( -9.252 -3.489 -1.169) 9.957 5.853 ( -0.194 5.100 -5.202) 7.288 6.179 ( -13.383 2.574 6.085) 14.925 7.424 ( 0.019 -1.404 2.998) 3.311 8.016 ( 2.074 2.755 -6.268) 7.154 8.845 ( -11.672 1.663 3.348) 12.256 9.131 ( -20.365 -1.196 10.769) 23.068 9.640 ( -11.400 -8.095 6.796) 15.545 9.811 ( -5.050 -0.620 0.465) 5.109 10.142 ( -4.299 -3.583 4.493) 7.177 10.953 ( 11.294 23.477 -0.217) 26.053 11.532 ( 3.747 -6.485 2.381) 7.859 12.136 ( 17.324 6.490 -17.249) 25.294 13.040 ( 5.807 -1.120 -1.082) 6.012 13.567 ( -14.151 5.674 10.619) 18.580 13.853 ( 1.108 -5.529 1.557) 5.850 14.070 ( 5.476 -1.588 2.552) 6.246 14.949 ( 12.020 -14.168 -5.094) 19.266 16.835 ( -15.736 1.108 -0.767) 15.793 19.134 ( 2.226 -9.013 -8.065) 12.298 19.252 ( 13.352 1.459 9.437) 16.415 19.780 ( 0.911 -2.108 -0.021) 2.296 20.555 ( 1.156 9.233 -10.642) 14.136 23.201 ( -7.993 -17.718 10.082) 21.897 23.774 ( 13.706 7.796 -7.669) 17.534 24.558 ( 2.753 2.261 8.082) 8.832 ======================= Grid point 506 (241/432) ======================= q-point: (-0.45 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -18.903 5.157 11.599) 22.770 2.222 ( -19.470 4.858 -4.807) 20.634 3.059 ( 4.886 2.051 -2.214) 5.743 3.362 ( 6.733 -2.615 2.422) 7.618 3.515 ( 0.191 -5.010 1.717) 5.300 3.752 ( -20.050 -1.663 4.915) 20.710 4.191 ( 9.747 1.273 -1.662) 9.969 4.296 ( 6.310 -3.605 2.585) 7.714 4.472 ( -8.226 -1.984 1.866) 8.666 5.012 ( 1.853 -4.167 -2.705) 5.302 5.115 ( -7.550 -3.237 -4.151) 9.204 5.755 ( 1.897 4.888 -6.132) 8.069 6.098 ( -9.955 2.651 11.089) 15.136 7.453 ( -1.449 -0.251 2.421) 2.832 7.989 ( 2.654 -5.002 -6.273) 8.451 8.670 ( -12.755 2.971 -0.564) 13.108 8.992 ( -18.713 -0.128 10.523) 21.470 9.629 ( -9.709 -4.939 6.466) 12.667 9.764 ( -4.111 -1.238 0.500) 4.322 10.201 ( 1.396 -1.715 3.160) 3.857 10.950 ( 7.999 13.569 4.280) 16.322 11.581 ( -1.747 -1.369 -1.599) 2.736 12.089 ( 15.441 7.886 -18.179) 25.122 13.025 ( -4.184 0.903 -2.015) 4.731 13.489 ( -9.991 2.498 9.119) 13.755 13.866 ( -2.062 -4.592 -4.772) 6.936 14.185 ( 6.688 4.372 2.521) 8.378 15.187 ( 13.974 -15.249 -5.905) 21.510 16.755 ( -8.929 -1.791 17.077) 19.354 19.112 ( 0.943 -8.098 -13.454) 15.732 19.500 ( 11.428 2.225 7.375) 13.782 19.835 ( 6.986 -0.116 -0.513) 7.006 20.395 ( 2.294 7.888 -8.890) 12.104 23.293 ( -14.285 -21.580 4.413) 26.253 23.818 ( 14.375 8.230 -5.961) 17.605 24.668 ( 1.777 2.695 8.602) 9.188 ======================= Grid point 507 (242/432) ======================= q-point: (-0.36 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -21.100 8.247 3.016) 22.854 1.967 ( -18.101 8.878 11.827) 23.373 3.096 ( 5.297 0.146 -0.842) 5.365 3.446 ( 2.659 -0.995 -1.272) 3.111 3.525 ( -25.418 -0.720 11.083) 27.739 3.579 ( -2.056 -3.410 1.083) 4.127 4.167 ( -8.847 -5.910 1.337) 10.723 4.452 ( 1.843 -3.815 -5.518) 6.957 4.567 ( 15.634 -2.268 8.843) 18.104 4.973 ( -5.012 -0.851 -7.730) 9.251 5.060 ( 3.306 -1.178 -0.287) 3.521 5.701 ( 5.984 4.077 -5.256) 8.948 6.125 ( -6.013 1.533 15.516) 16.711 7.441 ( -3.570 1.013 1.779) 4.115 7.989 ( 0.921 -7.375 -10.081) 12.524 8.518 ( -10.753 -3.008 4.812) 12.158 8.897 ( -14.024 2.893 13.544) 19.710 9.618 ( -9.633 -6.726 5.407) 12.933 9.744 ( 0.304 2.210 1.899) 2.930 10.229 ( 3.901 7.006 -1.555) 8.168 11.001 ( -2.085 -1.898 3.362) 4.388 11.498 ( -3.191 4.754 -2.906) 6.421 12.014 ( 13.851 6.874 -17.505) 23.357 12.912 ( -8.665 2.186 0.754) 8.968 13.424 ( -7.677 4.173 2.398) 9.061 13.776 ( -4.924 -0.218 -4.527) 6.692 14.238 ( 4.755 3.789 1.026) 6.166 15.401 ( 12.849 -13.122 -10.223) 21.019 17.037 ( 3.410 -7.920 31.293) 32.459 18.984 ( 1.437 -1.831 -18.913) 19.056 19.649 ( 4.436 0.091 1.407) 4.655 19.978 ( 14.688 1.965 2.371) 15.008 20.277 ( 1.770 5.457 -7.348) 9.322 23.317 ( -16.251 -25.381 1.409) 30.171 23.868 ( 11.795 6.267 -5.181) 14.326 24.714 ( -1.994 5.585 4.108) 7.214 ======================= Grid point 508 (243/432) ======================= q-point: (-0.27 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -13.870 9.473 13.504) 21.551 1.808 ( -15.334 11.381 15.259) 24.444 3.165 ( 4.164 -3.753 -3.873) 6.814 3.329 ( -23.614 -4.138 12.262) 26.928 3.449 ( -10.536 0.140 8.514) 13.547 3.549 ( 5.659 4.285 -7.536) 10.353 4.170 ( -7.044 -7.548 7.272) 12.628 4.418 ( 0.243 -5.540 -10.182) 11.594 4.785 ( -7.175 0.269 -5.960) 9.331 4.889 ( 12.045 1.509 7.212) 14.120 5.153 ( 9.883 -0.782 1.139) 9.979 5.737 ( 10.285 2.224 -2.617) 10.843 6.263 ( -2.446 -0.853 19.545) 19.716 7.385 ( -4.554 2.060 0.329) 5.010 7.883 ( -1.003 -2.359 -13.873) 14.107 8.558 ( -12.558 -11.834 14.176) 22.332 8.909 ( -6.709 1.468 18.081) 19.341 9.613 ( -6.269 -8.908 1.237) 10.963 9.784 ( 3.117 6.631 6.583) 9.850 10.157 ( 4.333 12.570 -4.320) 13.980 10.910 ( -20.929 -10.149 -3.485) 23.520 11.393 ( 2.248 13.084 -1.586) 13.370 11.968 ( 13.141 2.261 -14.659) 19.816 12.795 ( -9.191 1.156 1.965) 9.470 13.255 ( -8.206 10.840 0.301) 13.599 13.694 ( -4.800 -0.036 1.410) 5.003 14.277 ( 3.569 1.567 -0.199) 3.903 15.498 ( 9.486 -9.940 -15.737) 20.892 17.623 ( 15.799 -13.684 30.412) 36.902 18.783 ( 5.463 4.734 -20.805) 22.024 19.656 ( -3.079 -4.022 -4.080) 6.504 20.147 ( -2.917 8.007 1.531) 8.659 20.244 ( 22.108 0.411 -3.832) 22.441 23.317 ( -20.697 -29.536 -0.672) 36.072 23.910 ( 11.030 4.509 -5.639) 13.183 24.582 ( -9.106 11.978 -1.712) 15.144 ======================= Grid point 509 (244/432) ======================= q-point: (-0.18 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -3.404 5.922 20.881) 21.970 1.748 ( -9.644 9.596 20.140) 24.305 3.099 ( -14.261 -3.553 5.146) 15.572 3.256 ( -7.616 -2.782 -4.320) 9.188 3.422 ( -1.348 -1.650 7.075) 7.389 3.566 ( 7.264 5.836 2.097) 9.551 4.204 ( -5.749 -9.799 -4.619) 12.264 4.347 ( -4.252 -0.609 0.167) 4.298 4.581 ( -4.039 3.568 -9.596) 11.005 5.062 ( 1.605 1.568 8.707) 8.992 5.360 ( 14.961 -1.527 2.114) 15.187 5.863 ( 11.458 -0.064 0.300) 11.462 6.523 ( 1.482 -4.310 23.977) 24.406 7.297 ( -4.334 3.770 -1.315) 5.893 7.739 ( -0.336 -0.459 -10.834) 10.849 8.641 ( -20.762 -8.409 25.065) 33.616 9.107 ( -0.058 -9.036 16.273) 18.614 9.650 ( -0.631 -9.298 0.415) 9.328 9.778 ( -1.187 13.701 2.065) 13.907 10.132 ( 10.898 12.040 2.781) 16.476 10.604 ( -28.301 -9.243 -1.782) 29.826 11.261 ( 1.064 16.154 -4.856) 16.902 11.970 ( 10.695 -1.062 -14.332) 17.915 12.685 ( -9.746 -0.988 0.466) 9.807 13.118 ( -5.137 10.239 8.634) 14.345 13.663 ( -2.578 0.616 1.625) 3.109 14.296 ( 1.780 0.448 -1.306) 2.252 15.466 ( 5.580 -6.508 -19.464) 21.268 18.232 ( 15.491 -15.511 7.165) 23.063 18.663 ( 18.160 8.555 -8.066) 21.634 19.546 ( -9.150 -6.327 -9.037) 14.332 19.998 ( -5.288 6.500 -4.965) 9.739 20.553 ( 23.985 2.119 4.126) 24.429 23.195 ( -31.532 -26.912 -5.430) 41.809 23.962 ( 11.768 2.852 -5.963) 13.497 24.280 ( -13.507 15.995 -0.474) 20.941 ======================= Grid point 510 (245/432) ======================= q-point: (-0.09 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -3.598 3.855 23.523) 24.106 1.873 ( -0.484 2.018 19.820) 19.929 3.064 ( -5.466 -3.737 3.824) 7.646 3.121 ( -4.652 2.426 0.999) 5.341 3.518 ( 9.705 -3.007 -6.512) 12.068 3.669 ( 3.575 3.705 9.604) 10.897 4.044 ( -9.045 -5.100 -14.490) 17.827 4.224 ( -10.241 2.107 -6.366) 12.241 4.543 ( 3.940 0.579 6.100) 7.285 5.130 ( -1.835 1.427 6.683) 7.076 5.555 ( 8.972 -1.033 1.093) 9.097 6.018 ( 8.703 -0.831 1.878) 8.942 6.895 ( 4.281 -7.551 23.839) 25.370 7.179 ( -4.118 6.650 -1.516) 7.968 7.671 ( -1.284 -0.776 1.461) 2.094 8.737 ( -22.586 -4.450 32.382) 39.731 9.344 ( -3.258 -16.781 7.207) 18.551 9.654 ( 3.903 18.280 3.789) 19.072 9.757 ( -1.938 -13.143 2.752) 13.567 10.072 ( -8.329 20.831 3.001) 22.635 10.553 ( 3.600 -16.206 7.614) 18.264 11.050 ( -1.794 16.344 -6.561) 17.702 11.908 ( 6.601 -0.136 -17.468) 18.675 12.566 ( -9.520 -2.022 -2.003) 9.936 13.136 ( -2.257 4.972 13.091) 14.184 13.656 ( 1.048 1.113 0.674) 1.671 14.284 ( -0.585 0.008 -1.772) 1.866 15.328 ( 1.910 -3.099 -20.330) 20.653 18.317 ( 9.144 -2.279 -17.233) 19.641 19.021 ( 25.729 0.115 5.345) 26.279 19.327 ( -10.187 -6.420 -13.018) 17.733 19.803 ( -7.783 4.848 -5.324) 10.603 20.924 ( 24.704 1.183 7.180) 25.753 22.784 ( -42.043 -10.840 -7.177) 44.007 24.030 ( -2.879 4.616 0.164) 5.443 24.042 ( 3.400 3.717 -1.598) 5.285 ======================= Grid point 512 (246/432) ======================= q-point: ( 0.09 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 9.331 -0.000 10.925) 14.367 2.551 ( 1.036 -0.000 11.701) 11.746 3.051 ( 7.095 -0.000 2.721) 7.599 3.168 ( -7.023 0.000 -13.285) 15.027 3.498 ( 0.142 -0.000 -8.226) 8.227 3.540 ( 4.473 -0.000 -3.330) 5.577 3.612 ( -0.403 0.000 -4.369) 4.388 3.940 ( 4.866 -0.000 0.768) 4.927 5.044 ( 1.052 -0.000 7.158) 7.235 5.215 ( -2.054 0.000 1.526) 2.559 5.493 ( -12.533 0.000 3.398) 12.986 6.132 ( -2.710 0.000 -0.608) 2.777 6.732 ( -11.604 0.000 -0.640) 11.622 7.295 ( -5.104 0.000 3.626) 6.261 8.486 ( -7.958 0.000 30.636) 31.653 8.866 ( -17.030 0.000 26.049) 31.121 9.383 ( -7.260 0.000 12.021) 14.044 9.419 ( -16.775 0.000 -14.392) 22.103 10.234 ( 14.750 -0.000 19.537) 24.479 10.260 ( 8.372 -0.000 3.145) 8.943 10.363 ( -4.827 0.000 -13.340) 14.186 11.650 ( 4.003 -0.000 -14.398) 14.944 11.912 ( 24.949 -0.000 15.606) 29.428 12.023 ( 10.200 -0.000 -14.136) 17.432 13.404 ( -3.305 0.000 7.871) 8.537 13.820 ( 4.281 -0.000 -2.579) 4.997 14.120 ( -6.441 0.000 1.580) 6.632 14.748 ( -1.937 0.000 -10.418) 10.597 18.018 ( -17.464 0.000 -20.271) 26.757 18.482 ( 16.389 -0.000 -2.664) 16.604 19.255 ( -9.279 0.000 -2.831) 9.702 19.790 ( 4.253 -0.000 -3.086) 5.254 21.327 ( -19.320 0.000 -4.434) 19.822 22.166 ( 16.709 -0.000 14.140) 21.889 23.793 ( -1.645 0.000 -0.963) 1.907 24.319 ( 8.065 -0.000 -1.016) 8.129 ======================= Grid point 513 (247/432) ======================= q-point: ( 0.18 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( -1.259 6.960 1.273) 7.186 2.757 ( 5.575 -7.724 3.826) 10.265 2.987 ( -0.214 -0.448 -6.273) 6.293 3.168 ( 3.906 1.942 2.343) 4.952 3.388 ( -0.777 9.054 -1.500) 9.210 3.500 ( -0.589 -1.274 -0.921) 1.679 3.669 ( 7.366 -8.591 -5.543) 12.601 4.063 ( 8.647 -3.128 1.994) 9.409 5.075 ( -6.186 0.024 3.998) 7.366 5.118 ( -7.809 0.194 -7.977) 11.164 5.385 ( -13.129 -0.206 8.184) 15.473 6.082 ( -1.318 1.360 -2.199) 2.902 6.561 ( -14.118 0.795 0.884) 14.168 7.285 ( -2.870 -1.453 3.235) 4.562 8.545 ( -12.574 10.094 12.158) 20.195 8.926 ( -12.991 7.437 17.294) 22.872 9.129 ( -18.034 -15.507 1.992) 23.867 9.464 ( -7.900 -1.788 16.013) 17.945 10.048 ( -12.292 -1.702 -11.689) 17.048 10.361 ( 8.127 13.415 1.725) 15.779 10.732 ( 16.617 -12.413 13.188) 24.579 11.514 ( 6.136 6.824 -13.455) 16.287 12.075 ( 19.982 2.296 -12.516) 23.690 12.422 ( 23.201 -2.246 14.886) 27.658 13.459 ( -2.155 -3.425 6.681) 7.811 13.822 ( -0.140 -3.033 -4.712) 5.606 14.044 ( -8.083 0.895 2.771) 8.592 14.638 ( 0.881 -0.623 -7.576) 7.652 17.571 ( -17.474 0.079 -17.968) 25.064 18.705 ( 16.591 0.076 3.384) 16.933 19.122 ( -6.357 -0.914 -2.894) 7.044 19.769 ( -2.850 -0.661 -1.250) 3.182 21.069 ( -7.931 2.997 -7.920) 11.603 22.520 ( 9.070 -3.305 15.542) 18.296 23.785 ( 3.762 0.070 -2.927) 4.767 24.409 ( 6.350 0.612 0.635) 6.411 ======================= Grid point 514 (248/432) ======================= q-point: (-0.73 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( -5.819 5.544 -1.857) 8.249 2.739 ( -8.095 -7.306 -8.930) 14.094 3.106 ( 11.329 2.806 3.018) 12.055 3.155 ( 0.838 3.555 -0.455) 3.681 3.310 ( -0.863 2.755 1.126) 3.099 3.560 ( 1.178 -4.543 3.106) 5.628 3.829 ( 13.602 -5.287 -0.685) 14.610 4.229 ( 7.388 -3.846 1.832) 8.528 4.855 ( -16.361 1.491 -6.069) 17.514 4.997 ( -10.855 -2.455 0.665) 11.149 5.305 ( -10.812 -0.484 3.846) 11.486 6.023 ( 0.478 3.222 -4.161) 5.285 6.377 ( -14.702 2.087 3.025) 15.154 7.312 ( -1.446 -3.751 2.227) 4.596 8.336 ( -8.017 14.403 -2.478) 16.669 8.850 ( -14.222 -10.502 4.264) 18.187 9.133 ( -19.392 -6.178 16.823) 26.406 9.546 ( -10.571 0.693 17.768) 20.687 9.818 ( -10.653 -6.604 -6.781) 14.251 10.296 ( -0.292 10.530 -3.262) 11.028 11.160 ( 14.749 -7.716 10.284) 19.566 11.428 ( 14.070 17.603 -7.642) 23.795 12.177 ( 20.692 2.846 -14.258) 25.289 12.843 ( 16.349 -0.283 8.788) 18.564 13.590 ( 2.878 -5.116 10.885) 12.367 13.751 ( -7.103 -2.109 -3.087) 8.027 13.967 ( -6.554 -1.536 1.034) 6.811 14.625 ( 5.369 -5.723 -6.594) 10.250 17.164 ( -17.329 0.558 -12.385) 21.307 18.979 ( 14.644 -0.428 5.745) 15.736 19.047 ( -1.024 -2.084 -1.817) 2.948 19.729 ( -2.889 -1.948 0.027) 3.485 20.871 ( -1.724 5.351 -10.417) 11.838 22.794 ( -0.792 -7.673 14.532) 16.452 23.823 ( 9.707 2.584 -4.093) 10.847 24.491 ( 4.359 0.967 2.706) 5.221 ======================= Grid point 515 (249/432) ======================= q-point: (-0.64 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( -9.302 3.606 2.417) 10.265 2.546 ( -11.588 -2.643 -9.155) 15.003 3.086 ( 3.188 2.330 -4.943) 6.327 3.246 ( 2.799 4.254 6.692) 8.409 3.367 ( 1.945 -4.060 2.416) 5.109 3.662 ( 3.257 -7.557 0.576) 8.249 4.057 ( 14.492 -0.877 1.619) 14.608 4.318 ( -0.399 -0.239 0.678) 0.822 4.572 ( -17.605 1.011 -0.228) 17.635 4.897 ( -7.941 -6.885 -0.784) 10.540 5.192 ( -9.933 -1.033 -0.368) 9.993 5.943 ( 1.454 5.043 -6.100) 8.047 6.224 ( -13.083 2.834 6.557) 14.906 7.350 ( -1.858 -5.952 0.708) 6.275 8.102 ( -5.071 6.398 -7.085) 10.809 8.818 ( -12.145 -5.885 6.810) 15.117 9.049 ( -21.691 -5.251 8.667) 23.941 9.556 ( -11.236 -0.857 10.610) 15.477 9.746 ( -9.301 -8.627 4.256) 13.381 10.157 ( -2.800 5.933 -2.885) 7.167 11.390 ( 15.881 24.885 -2.441) 29.621 11.467 ( 11.255 -1.314 5.707) 12.687 12.233 ( 18.809 4.807 -16.531) 25.498 13.027 ( 5.753 -0.098 -0.718) 5.798 13.625 ( -9.962 -0.451 0.518) 9.986 13.784 ( -6.029 -1.194 11.709) 13.224 14.004 ( 9.687 -5.661 3.356) 11.711 14.719 ( 9.166 -12.300 -7.232) 16.959 16.851 ( -15.869 0.750 -2.140) 16.030 19.006 ( 1.765 -5.865 -7.935) 10.024 19.286 ( 13.941 2.048 10.915) 17.824 19.742 ( 2.222 -2.281 0.126) 3.187 20.690 ( 0.188 6.604 -11.323) 13.109 22.943 ( -10.434 -12.483 9.981) 19.087 23.897 ( 13.503 6.493 -3.708) 15.435 24.576 ( 2.757 0.164 5.338) 6.010 ======================= Grid point 516 (250/432) ======================= q-point: (-0.55 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -12.790 4.337 8.478) 15.946 2.286 ( -14.126 3.021 -6.044) 15.659 3.078 ( 4.994 -0.548 -5.295) 7.299 3.346 ( 3.219 1.060 7.999) 8.687 3.418 ( -2.404 -5.765 1.041) 6.332 3.707 ( -6.924 -3.954 -0.963) 8.031 4.197 ( -0.727 -0.332 -5.589) 5.646 4.289 ( 4.394 1.512 6.876) 8.299 4.430 ( -8.185 -1.913 4.717) 9.638 4.905 ( -0.464 -7.903 -0.725) 7.950 5.071 ( -7.478 -1.919 -1.817) 7.931 5.848 ( 3.140 5.836 -7.328) 9.880 6.144 ( -10.140 2.790 10.779) 15.060 7.374 ( -4.111 -7.845 0.184) 8.859 7.946 ( -3.593 -1.186 -6.560) 7.573 8.708 ( -18.288 1.893 4.074) 18.832 8.937 ( -12.103 -5.909 6.518) 14.963 9.531 ( -12.571 -3.252 9.656) 16.181 9.757 ( -6.152 -5.909 3.705) 9.300 10.100 ( -2.377 -3.099 1.525) 4.193 11.344 ( 13.543 28.695 -0.581) 31.736 11.614 ( 6.744 4.391 1.822) 8.251 12.218 ( 16.641 6.980 -18.524) 25.861 13.025 ( -1.564 -0.294 -3.126) 3.508 13.525 ( -10.215 0.554 5.548) 11.637 13.774 ( -6.414 -5.149 0.775) 8.262 14.236 ( 10.148 1.728 4.197) 11.117 14.911 ( 12.645 -16.982 -6.433) 22.128 16.727 ( -10.939 -1.415 12.979) 17.033 18.984 ( 3.362 -6.628 -11.875) 14.009 19.551 ( 12.035 3.364 8.700) 15.226 19.826 ( 9.055 -0.912 -0.740) 9.131 20.513 ( -0.242 6.066 -10.201) 11.871 22.967 ( -16.415 -16.618 4.999) 23.887 23.967 ( 12.701 9.061 -3.426) 15.974 24.679 ( 1.347 -1.012 6.912) 7.114 ======================= Grid point 517 (251/432) ======================= q-point: (-0.45 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -14.461 9.182 1.730) 17.217 2.096 ( -14.424 6.830 12.123) 20.042 3.097 ( 4.680 -0.809 -3.676) 6.006 3.382 ( -6.703 -4.370 -1.048) 8.070 3.495 ( -4.572 -5.957 3.376) 8.234 3.586 ( -6.699 5.009 8.026) 11.592 4.049 ( -9.561 -6.550 -6.310) 13.196 4.410 ( -4.483 -1.843 1.722) 5.144 4.533 ( 12.824 -1.851 9.005) 15.779 4.928 ( -1.838 -3.904 -4.141) 5.981 5.032 ( 0.385 -2.243 2.002) 3.031 5.780 ( 6.408 5.157 -7.020) 10.814 6.156 ( -6.808 1.913 14.441) 16.079 7.371 ( -8.650 -8.752 1.648) 12.415 7.879 ( -0.540 -5.686 -6.460) 8.623 8.477 ( -19.272 -1.785 3.022) 19.589 8.941 ( -5.122 1.629 9.019) 10.499 9.495 ( -14.706 -5.121 9.974) 18.493 9.772 ( -2.167 -3.125 2.871) 4.765 10.154 ( -2.290 -9.684 1.598) 10.079 11.230 ( 5.181 25.970 -1.954) 26.554 11.643 ( 6.976 11.199 0.958) 13.229 12.144 ( 15.060 8.147 -19.858) 26.221 12.945 ( -6.108 1.440 -0.771) 6.323 13.464 ( -8.185 0.707 5.161) 9.702 13.732 ( -4.849 -4.483 -2.488) 7.057 14.317 ( 4.758 4.959 -0.009) 6.872 15.145 ( 12.237 -16.816 -8.683) 22.537 16.908 ( -1.439 -7.041 27.261) 28.193 18.926 ( 4.764 -4.571 -16.600) 17.865 19.696 ( 5.442 4.836 1.146) 7.370 19.997 ( 18.040 0.484 -0.134) 18.047 20.360 ( -1.889 4.136 -6.664) 8.067 22.925 ( -19.753 -20.599 2.651) 28.662 24.001 ( 10.468 9.094 -3.841) 14.389 24.756 ( -1.844 -0.240 4.737) 5.089 ======================= Grid point 518 (252/432) ======================= q-point: (-0.36 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -9.968 12.935 11.815) 20.156 1.990 ( -13.805 9.889 15.021) 22.672 3.120 ( 0.593 -1.699 -2.573) 3.140 3.252 ( -15.014 -5.203 1.751) 15.986 3.440 ( -9.359 -1.349 4.956) 10.675 3.642 ( 6.326 7.327 1.183) 9.752 3.982 ( -6.613 -13.578 -0.971) 15.134 4.368 ( -3.940 -1.507 -0.820) 4.298 4.737 ( -4.144 -4.545 1.281) 6.282 4.931 ( 10.385 2.352 3.123) 11.097 5.126 ( 5.943 -2.569 3.219) 7.231 5.783 ( 9.628 3.152 -4.907) 11.256 6.256 ( -3.797 -0.000 17.329) 17.740 7.335 ( -11.947 -8.381 3.648) 15.042 7.836 ( 0.233 -3.338 -9.339) 9.920 8.370 ( -13.086 -9.626 8.502) 18.335 8.965 ( -5.480 4.863 13.042) 14.959 9.472 ( -12.440 -7.247 8.944) 16.949 9.833 ( 0.136 -3.618 5.718) 6.768 10.188 ( -3.907 -6.466 -1.733) 7.751 10.997 ( -4.136 21.338 -4.296) 22.156 11.654 ( 9.601 16.757 1.444) 19.366 12.043 ( 13.717 6.908 -19.720) 24.995 12.831 ( -8.615 2.493 0.679) 8.994 13.386 ( -7.019 4.393 1.936) 8.504 13.683 ( -4.236 -1.593 1.071) 4.651 14.321 ( 2.189 3.616 -0.214) 4.232 15.289 ( 8.754 -14.595 -13.901) 21.975 17.386 ( 8.866 -13.742 30.609) 34.704 18.819 ( 7.885 -0.728 -20.134) 21.635 19.653 ( -1.427 3.749 -5.615) 6.901 20.212 ( 5.994 -0.120 -10.706) 12.270 20.294 ( 13.481 5.043 7.529) 16.243 22.858 ( -23.334 -24.200 2.109) 33.683 24.013 ( 9.522 7.505 -4.508) 12.936 24.710 ( -7.476 3.705 -0.185) 8.346 ======================= Grid point 519 (253/432) ======================= q-point: (-0.27 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -3.494 11.208 18.019) 21.506 1.925 ( -11.272 10.600 18.746) 24.307 3.047 ( -10.779 -2.015 3.872) 11.629 3.187 ( -4.325 -4.990 -3.457) 7.453 3.407 ( -2.688 -0.804 3.853) 4.766 3.674 ( 6.305 7.061 2.406) 9.767 4.008 ( -3.445 -13.042 -6.662) 15.045 4.332 ( -5.786 -1.214 3.771) 7.013 4.621 ( -5.555 1.037 -5.796) 8.095 5.102 ( 3.028 3.072 9.652) 10.572 5.315 ( 12.907 -4.079 2.072) 13.694 5.865 ( 10.486 0.371 -1.781) 10.643 6.453 ( -0.385 -3.607 20.167) 20.491 7.292 ( -10.986 -5.699 5.437) 13.518 7.738 ( 0.459 0.347 -9.797) 9.814 8.442 ( -13.254 -13.949 14.911) 24.343 9.030 ( -6.757 0.162 16.898) 18.199 9.499 ( -8.037 -8.301 7.964) 14.033 9.962 ( 2.811 -1.372 8.423) 8.985 10.128 ( -4.855 -2.891 -2.747) 6.283 10.701 ( -7.119 20.267 -2.582) 21.635 11.599 ( 8.256 23.105 -3.992) 24.858 11.966 ( 11.636 1.463 -17.190) 20.809 12.688 ( -10.924 1.035 -0.532) 10.985 13.284 ( -5.347 8.258 6.039) 11.543 13.675 ( -1.651 0.605 3.014) 3.489 14.312 ( 0.504 1.650 -0.653) 1.845 15.310 ( 5.009 -11.844 -17.892) 22.034 17.964 ( 13.000 -16.159 17.650) 27.232 18.742 ( 15.038 0.593 -15.698) 21.747 19.489 ( -7.261 0.641 -9.759) 12.181 20.083 ( -4.356 3.078 -6.920) 8.737 20.605 ( 23.830 3.875 5.345) 24.727 22.745 ( -29.091 -24.903 1.145) 38.311 24.031 ( 9.748 5.272 -5.042) 12.175 24.497 ( -12.795 9.291 -2.929) 16.081 ======================= Grid point 520 (254/432) ======================= q-point: (-0.18 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -0.200 5.354 17.470) 18.273 1.948 ( -7.404 8.424 22.272) 24.937 3.006 ( -5.197 -2.886 1.645) 6.168 3.136 ( -0.250 -0.679 0.060) 0.726 3.465 ( 3.870 -2.697 0.231) 4.722 3.748 ( 5.061 4.679 5.690) 8.938 3.924 ( -3.640 -7.923 -15.033) 17.379 4.246 ( -11.552 -0.109 -2.946) 11.922 4.566 ( 2.135 2.236 5.479) 6.292 5.175 ( -1.333 3.720 7.155) 8.174 5.518 ( 8.732 -3.483 1.224) 9.480 5.995 ( 8.191 -1.829 0.842) 8.434 6.753 ( 2.987 -8.128 19.112) 20.982 7.264 ( -7.384 0.903 7.005) 10.218 7.655 ( -0.796 -0.584 -1.962) 2.196 8.576 ( -16.877 -14.414 23.020) 31.977 9.141 ( -7.961 -6.283 13.797) 17.124 9.558 ( -8.058 -9.846 6.743) 14.399 9.987 ( 6.418 19.859 3.472) 21.157 10.215 ( -4.514 -20.511 5.659) 21.751 10.454 ( -0.074 22.040 2.452) 22.176 11.409 ( 5.403 25.183 -7.267) 26.762 11.905 ( 9.022 0.102 -17.825) 19.978 12.525 ( -12.011 -2.255 -2.333) 12.442 13.260 ( -2.575 8.202 10.767) 13.777 13.691 ( 1.830 2.918 2.355) 4.172 14.287 ( -1.471 0.439 -1.267) 1.990 15.227 ( 1.631 -8.775 -19.343) 21.303 18.245 ( 9.820 -6.077 -9.156) 14.737 18.965 ( 22.826 -9.188 1.455) 24.648 19.236 ( -11.268 -0.510 -13.310) 17.446 19.900 ( -5.953 5.205 -6.949) 10.527 20.963 ( 24.432 3.469 7.309) 25.737 22.509 ( -35.650 -18.959 -0.662) 40.383 24.071 ( 10.085 2.958 -4.910) 11.600 24.206 ( -13.282 10.681 -0.947) 17.070 ======================= Grid point 521 (255/432) ======================= q-point: (-0.09 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -3.495 0.397 18.400) 18.733 2.130 ( 3.151 5.617 20.252) 21.251 2.967 ( -1.157 -2.467 -3.415) 4.369 3.228 ( 8.021 -1.464 2.847) 8.637 3.526 ( 3.216 -2.557 -2.847) 4.999 3.732 ( -4.292 -2.857 -16.040) 16.848 3.838 ( 4.468 3.775 3.721) 6.932 4.014 ( -11.101 2.704 -6.995) 13.397 4.709 ( 4.988 0.181 10.808) 11.905 5.186 ( -3.339 3.135 6.422) 7.888 5.614 ( 1.313 -1.921 0.112) 2.329 6.108 ( 3.620 -2.249 1.599) 4.552 6.969 ( -2.601 -5.060 2.130) 6.075 7.264 ( -2.563 1.860 9.435) 9.952 7.764 ( -1.122 -3.524 22.411) 22.714 8.732 ( -19.758 -11.182 26.041) 34.548 9.239 ( -6.590 -10.886 9.162) 15.680 9.614 ( -5.361 -10.083 6.518) 13.149 9.990 ( 10.031 17.666 6.354) 21.286 10.147 ( -9.601 16.290 2.102) 19.025 10.552 ( 4.509 -12.801 2.040) 13.724 11.249 ( 11.663 21.564 -0.017) 24.516 11.802 ( 8.290 1.899 -17.941) 19.854 12.350 ( -11.119 -4.873 -7.475) 14.256 13.302 ( -1.779 6.380 11.708) 13.451 13.728 ( 4.923 3.942 1.363) 6.453 14.240 ( -3.364 -0.354 -1.247) 3.605 15.078 ( -0.896 -5.577 -17.834) 18.707 18.275 ( 12.449 -1.213 -12.912) 17.977 18.891 ( -15.810 -2.489 -17.347) 23.602 19.355 ( 16.435 -9.491 0.772) 18.994 19.705 ( -2.652 7.061 -6.252) 9.796 21.350 ( 22.720 1.604 9.863) 24.821 22.127 ( -36.459 -8.384 -1.401) 37.437 23.980 ( -9.847 6.412 1.047) 11.798 24.138 ( 9.794 0.987 -3.837) 10.565 ======================= Grid point 524 (256/432) ======================= q-point: ( 0.18 -0.82 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( -3.589 0.000 -6.633) 7.542 2.642 ( -7.845 0.000 -5.961) 9.853 3.124 ( 13.961 -0.000 5.246) 14.914 3.207 ( -0.997 0.000 1.116) 1.496 3.338 ( -2.582 0.000 -10.950) 11.250 3.507 ( -1.466 0.000 8.083) 8.214 3.787 ( 13.696 -0.000 4.323) 14.362 4.185 ( 8.851 -0.000 0.624) 8.873 4.875 ( -14.155 0.000 -6.868) 15.733 4.971 ( -13.667 0.000 1.152) 13.716 5.302 ( -10.944 0.000 4.109) 11.691 6.051 ( 0.930 -0.000 -4.207) 4.308 6.398 ( -14.218 0.000 3.117) 14.555 7.276 ( -2.192 0.000 1.971) 2.947 8.595 ( -15.347 0.000 -18.195) 23.803 8.603 ( -10.655 0.000 14.988) 18.389 9.093 ( -19.135 0.000 23.052) 29.959 9.564 ( -10.602 0.000 21.157) 23.665 9.751 ( -11.684 0.000 -9.818) 15.261 10.400 ( -0.270 0.000 -9.255) 9.259 11.087 ( 17.552 -0.000 14.653) 22.865 11.585 ( 17.012 -0.000 -8.304) 18.930 12.206 ( 21.140 -0.000 -14.401) 25.579 12.841 ( 16.121 -0.000 10.859) 19.437 13.542 ( 3.980 -0.000 11.566) 12.231 13.715 ( -4.102 0.000 -6.879) 8.010 13.963 ( -10.149 0.000 3.561) 10.756 14.576 ( 3.569 -0.000 -7.628) 8.422 17.169 ( -17.169 0.000 -12.302) 21.121 18.970 ( 11.077 -0.000 1.775) 11.219 19.035 ( 2.023 -0.000 2.556) 3.259 19.712 ( -3.033 0.000 -0.048) 3.034 20.918 ( -1.440 0.000 -11.055) 11.148 22.728 ( -1.994 0.000 14.827) 14.961 23.846 ( 10.171 -0.000 -2.695) 10.522 24.498 ( 4.629 -0.000 1.803) 4.968 ======================= Grid point 526 (257/432) ======================= q-point: (-0.73 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( -4.901 3.274 -5.296) 7.924 2.489 ( -8.569 -3.428 -6.118) 11.074 3.145 ( -0.654 4.960 -6.228) 7.989 3.245 ( -2.830 -5.329 -0.567) 6.060 3.358 ( 10.699 2.541 6.089) 12.570 3.568 ( -2.371 -2.999 5.559) 6.747 4.047 ( 14.341 -0.284 6.770) 15.861 4.263 ( 1.087 -3.449 -4.172) 5.521 4.642 ( -12.334 5.268 1.318) 13.477 4.788 ( -14.188 -5.571 -0.918) 15.270 5.183 ( -10.648 -0.217 0.145) 10.651 6.004 ( 1.866 1.941 -6.027) 6.601 6.266 ( -12.446 1.675 6.110) 13.966 7.265 ( -3.721 -3.108 0.481) 4.872 8.198 ( -10.295 3.917 -14.972) 18.587 8.689 ( -8.196 -6.071 14.021) 17.339 9.016 ( -23.403 0.007 13.001) 26.771 9.532 ( -9.873 -2.665 -3.396) 10.776 9.644 ( -14.749 -1.777 19.074) 24.177 10.252 ( -1.156 3.530 -9.912) 10.585 11.449 ( 14.870 -0.256 10.162) 18.013 11.718 ( 19.649 10.990 -4.530) 22.965 12.294 ( 19.855 2.259 -16.506) 25.918 13.033 ( 4.826 0.464 0.701) 4.899 13.574 ( -6.620 -3.055 -6.533) 9.790 13.798 ( -9.274 0.984 19.458) 21.578 13.918 ( 11.034 -3.241 2.841) 11.846 14.569 ( 6.597 -4.871 -8.721) 11.971 16.859 ( -15.940 0.263 -2.914) 16.206 18.941 ( 1.540 -1.930 -7.558) 7.951 19.312 ( 14.001 0.914 11.952) 18.432 19.712 ( 2.898 -1.048 0.017) 3.082 20.768 ( -0.067 2.461 -12.478) 12.718 22.798 ( -11.492 -4.536 10.317) 16.096 23.977 ( 13.180 2.609 -0.498) 13.445 24.573 ( 2.688 -0.280 2.913) 3.974 ======================= Grid point 527 (258/432) ======================= q-point: (-0.64 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -5.506 2.101 -0.751) 5.941 2.330 ( -9.409 2.149 -1.249) 9.731 3.055 ( 2.105 -1.120 -7.492) 7.863 3.278 ( -3.337 -6.914 3.860) 8.593 3.447 ( -1.699 6.511 6.486) 9.346 3.634 ( 0.644 -4.377 0.112) 4.425 4.160 ( -8.484 -4.193 -5.903) 11.154 4.301 ( 10.821 0.216 6.318) 12.532 4.457 ( -12.653 4.489 4.202) 14.068 4.775 ( 0.556 -6.983 2.326) 7.381 5.046 ( -9.580 -1.120 -0.503) 9.658 5.935 ( 3.359 4.004 -7.652) 9.266 6.188 ( -10.499 2.248 10.056) 14.711 7.239 ( -6.911 -7.073 -0.411) 9.897 7.929 ( -5.866 -0.893 -11.639) 13.065 8.740 ( -20.711 1.691 10.119) 23.113 8.845 ( -9.526 -3.693 9.016) 13.626 9.446 ( -8.297 -8.638 -0.053) 11.978 9.652 ( -17.788 -2.023 17.772) 25.226 10.126 ( 1.073 3.208 -6.301) 7.151 11.690 ( 11.020 4.662 4.390) 12.745 11.794 ( 17.665 21.123 -1.354) 27.569 12.313 ( 17.235 4.363 -18.532) 25.681 13.031 ( -0.035 1.035 -3.698) 3.840 13.472 ( -6.251 -6.181 -2.951) 9.273 13.727 ( -14.539 -0.621 8.254) 16.730 14.254 ( 14.561 0.898 8.186) 16.728 14.651 ( 10.390 -12.806 -8.138) 18.390 16.709 ( -12.201 -0.737 10.266) 15.963 18.899 ( 4.387 -3.478 -11.271) 12.584 19.601 ( 11.885 2.402 10.594) 16.101 19.808 ( 10.788 -1.045 -0.691) 10.861 20.593 ( -1.248 3.353 -12.396) 12.902 22.750 ( -17.305 -8.980 5.724) 20.319 24.105 ( 11.371 6.669 0.192) 13.183 24.647 ( 0.928 -2.369 4.155) 4.873 ======================= Grid point 528 (259/432) ======================= q-point: (-0.55 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -6.247 6.023 0.418) 8.688 2.216 ( -10.134 7.601 10.947) 16.743 3.048 ( 3.273 -4.876 -5.245) 7.874 3.324 ( -4.583 -4.516 -0.831) 6.488 3.399 ( -10.509 -2.720 6.476) 12.640 3.640 ( 0.051 0.665 1.635) 1.766 3.988 ( -9.573 -0.771 -6.148) 11.403 4.377 ( -7.645 -1.945 4.736) 9.201 4.507 ( 9.270 -1.057 6.892) 11.600 4.863 ( 2.021 -3.429 -0.786) 4.058 4.989 ( -3.454 -2.629 5.394) 6.924 5.865 ( 5.828 4.677 -8.289) 11.160 6.185 ( -8.016 1.468 13.787) 16.016 7.193 ( -11.765 -10.940 0.780) 16.084 7.796 ( -1.167 -4.080 -7.637) 8.737 8.467 ( -22.709 0.663 2.374) 22.843 8.944 ( -2.472 -0.770 12.315) 12.584 9.420 ( -10.766 -7.219 4.425) 13.697 9.631 ( -17.211 -7.452 13.573) 23.152 10.092 ( 3.409 0.904 -2.059) 4.084 11.687 ( 7.849 23.195 -4.851) 24.963 11.859 ( 12.276 15.560 3.921) 20.204 12.267 ( 15.916 6.159 -19.669) 26.041 12.966 ( -1.887 1.284 -3.311) 4.021 13.431 ( -6.393 -5.211 0.956) 8.303 13.657 ( -9.831 -3.503 5.009) 11.576 14.393 ( 6.380 4.227 -1.209) 7.748 14.860 ( 11.689 -16.396 -6.394) 21.127 16.810 ( -4.811 -4.545 23.926) 24.825 18.850 ( 6.373 -3.969 -15.795) 17.489 19.786 ( 6.586 5.172 3.966) 9.266 19.998 ( 19.381 -0.255 -1.573) 19.446 20.412 ( -3.194 2.078 -9.443) 10.183 22.643 ( -20.542 -12.832 3.878) 24.529 24.158 ( 8.148 9.249 -1.197) 12.384 24.719 ( -1.696 -3.757 3.803) 5.608 ======================= Grid point 529 (260/432) ======================= q-point: (-0.45 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -5.612 11.583 9.238) 15.843 2.150 ( -10.489 10.251 14.516) 20.635 3.082 ( 1.063 -4.599 -1.903) 5.089 3.181 ( -14.245 -1.344 0.055) 14.308 3.392 ( -4.138 -4.605 0.084) 6.192 3.716 ( -0.496 -9.576 2.581) 9.930 3.827 ( -0.960 6.280 -3.022) 7.035 4.340 ( -7.736 -1.963 3.709) 8.801 4.661 ( -1.335 -4.029 2.342) 4.848 4.944 ( 10.375 -1.727 2.702) 10.860 5.080 ( 0.563 -1.833 8.043) 8.268 5.838 ( 8.346 3.274 -6.787) 11.244 6.259 ( -5.387 0.177 16.105) 16.983 7.138 ( -15.762 -13.467 4.131) 21.140 7.771 ( 1.824 -4.211 -5.903) 7.477 8.252 ( -15.740 -4.495 3.384) 16.716 9.040 ( -2.481 3.057 11.528) 12.182 9.379 ( -15.140 -4.452 11.126) 19.308 9.644 ( -13.958 -14.238 8.899) 21.834 10.139 ( 4.880 0.386 0.740) 4.951 11.458 ( 3.031 29.637 -7.537) 30.731 11.908 ( 8.237 12.720 1.755) 15.255 12.199 ( 18.042 11.203 -18.859) 28.402 12.875 ( -5.101 2.868 -2.572) 6.393 13.401 ( -6.273 -2.532 2.434) 7.190 13.640 ( -5.161 -3.283 4.479) 7.582 14.388 ( 2.263 3.970 -2.308) 5.119 15.028 ( 7.696 -15.750 -10.849) 20.615 17.181 ( 3.700 -10.377 30.394) 32.329 18.775 ( 8.268 -3.694 -20.080) 22.028 19.762 ( 0.161 8.249 -5.356) 9.837 20.194 ( 7.968 -1.631 -10.632) 13.386 20.356 ( 12.411 1.998 4.425) 13.327 22.523 ( -22.788 -15.649 4.230) 27.965 24.153 ( 6.560 8.881 -2.718) 11.371 24.721 ( -6.251 -1.946 0.678) 6.582 ======================= Grid point 530 (261/432) ======================= q-point: (-0.36 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -5.920 10.919 14.091) 18.784 2.104 ( -9.056 11.854 17.179) 22.752 3.038 ( -9.133 0.523 3.244) 9.706 3.098 ( -2.588 -5.256 -1.996) 6.190 3.381 ( -0.493 -2.481 -0.313) 2.548 3.721 ( -4.143 -10.477 -5.341) 12.468 3.865 ( 8.268 5.059 1.283) 9.777 4.299 ( -8.923 -2.744 4.522) 10.374 4.626 ( -3.982 -0.033 -0.842) 4.070 5.160 ( 4.937 3.486 10.407) 12.035 5.218 ( 8.248 -7.398 3.275) 11.554 5.876 ( 9.108 0.897 -3.932) 9.960 6.405 ( -2.625 -2.301 17.818) 18.157 7.117 ( -14.739 -13.693 8.362) 21.787 7.740 ( 1.088 -0.309 -6.780) 6.874 8.215 ( -11.318 -12.290 7.708) 18.399 9.086 ( -5.758 5.126 13.164) 15.255 9.376 ( -14.604 -6.133 15.118) 21.896 9.709 ( -9.719 -18.243 7.010) 21.827 10.214 ( 6.149 5.307 3.556) 8.867 11.139 ( 0.694 29.933 -7.368) 30.835 11.901 ( 5.339 7.619 -3.850) 10.069 12.116 ( 19.037 19.757 -17.296) 32.433 12.714 ( -10.652 2.249 -3.531) 11.445 13.368 ( -5.121 1.475 5.114) 7.386 13.677 ( -0.695 -0.493 5.717) 5.780 14.351 ( -0.341 2.728 -1.272) 3.029 15.083 ( 3.898 -14.545 -15.152) 21.362 17.704 ( 9.290 -14.307 25.268) 30.487 18.698 ( 11.058 -4.773 -20.400) 23.690 19.565 ( -4.707 7.474 -10.986) 14.096 20.100 ( -3.719 -0.814 -7.550) 8.455 20.668 ( 25.046 3.151 4.584) 25.656 22.393 ( -25.546 -16.621 4.569) 30.818 24.134 ( 6.583 6.847 -3.804) 10.231 24.592 ( -11.116 2.389 -2.692) 11.684 ======================= Grid point 531 (262/432) ======================= q-point: (-0.27 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -7.408 5.240 14.863) 17.414 2.121 ( -3.649 11.659 19.076) 22.652 2.968 ( -5.770 -2.053 -0.521) 6.146 3.112 ( 3.048 -1.437 0.359) 3.389 3.425 ( 2.098 -2.352 2.126) 3.801 3.701 ( -3.676 -10.879 -6.881) 13.386 3.910 ( 8.605 6.841 -3.059) 11.411 4.220 ( -10.848 -2.799 -0.829) 11.234 4.614 ( 0.402 3.306 6.953) 7.710 5.244 ( -1.040 4.165 7.956) 9.040 5.435 ( 8.147 -6.289 2.225) 10.530 5.964 ( 7.249 -1.664 -0.793) 7.479 6.633 ( 0.873 -6.193 17.749) 18.819 7.177 ( -9.699 -10.578 12.242) 18.863 7.663 ( -1.081 1.224 -4.817) 5.087 8.300 ( -12.146 -16.954 12.693) 24.415 9.120 ( -8.967 2.577 15.774) 18.327 9.411 ( -14.534 -7.797 14.052) 21.667 9.874 ( -1.506 -19.048 7.357) 20.474 10.283 ( 7.541 13.657 6.230) 16.798 10.845 ( 0.791 25.560 -3.739) 25.844 11.813 ( 2.337 12.987 -7.501) 15.179 11.978 ( 17.618 17.616 -19.524) 31.653 12.497 ( -14.364 -1.032 -3.980) 14.941 13.369 ( -3.115 4.008 8.788) 10.148 13.747 ( 3.350 3.504 5.438) 7.285 14.303 ( -2.587 1.438 -0.933) 3.104 15.043 ( 0.889 -12.767 -17.424) 21.619 18.120 ( 9.871 -8.683 4.250) 13.816 18.756 ( 11.976 -13.308 -7.888) 19.563 19.297 ( -4.894 6.040 -13.128) 15.257 19.956 ( -5.013 1.413 -7.126) 8.827 21.033 ( 25.440 4.446 6.472) 26.625 22.217 ( -28.665 -14.793 3.440) 32.440 24.132 ( 7.253 4.268 -4.174) 9.394 24.352 ( -13.263 6.384 -3.338) 15.093 ======================= Grid point 532 (263/432) ======================= q-point: (-0.18 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( -4.714 1.767 15.602) 16.394 2.246 ( 2.581 8.008 18.412) 20.243 2.922 ( -1.081 -2.717 -2.368) 3.763 3.183 ( 5.598 -3.443 -3.257) 7.335 3.498 ( 0.204 -1.147 2.982) 3.202 3.632 ( -2.562 -7.961 -10.055) 13.079 3.937 ( 8.624 6.680 -2.255) 11.139 4.053 ( -9.041 1.769 -5.062) 10.512 4.726 ( 3.114 2.119 11.643) 12.237 5.256 ( -2.945 4.823 6.173) 8.369 5.563 ( 1.544 -4.212 0.991) 4.594 6.059 ( 3.331 -3.241 0.955) 4.745 6.870 ( 0.151 -6.556 9.075) 11.197 7.259 ( -6.603 -3.555 7.431) 10.557 7.688 ( -0.535 -4.626 15.395) 16.084 8.456 ( -12.627 -19.344 15.439) 27.784 9.157 ( -10.233 -0.222 15.243) 18.361 9.459 ( -9.998 -8.532 12.582) 18.195 10.095 ( -1.337 -14.396 5.223) 15.372 10.323 ( 9.818 18.805 6.163) 22.091 10.658 ( -0.312 19.201 1.664) 19.275 11.610 ( 5.673 18.492 -7.649) 20.800 11.878 ( 15.476 9.989 -17.765) 25.591 12.266 ( -14.637 -4.436 -7.226) 16.916 13.408 ( -1.950 5.062 10.056) 11.426 13.821 ( 5.871 6.824 4.155) 9.915 14.237 ( -4.581 0.185 -1.048) 4.703 14.943 ( -0.933 -10.351 -16.675) 19.649 18.247 ( 12.088 -1.978 -9.479) 15.488 18.807 ( -12.290 -7.981 -12.548) 19.292 19.221 ( 12.079 -5.667 -2.135) 13.511 19.799 ( -1.922 3.939 -7.353) 8.560 21.394 ( 19.641 3.686 9.687) 22.208 21.970 ( -26.392 -9.204 0.889) 27.965 24.098 ( -11.441 6.792 -1.750) 13.420 24.162 ( 7.876 1.933 -3.668) 8.901 ======================= Grid point 533 (264/432) ======================= q-point: (-0.09 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 0.816 -1.149 14.648) 14.715 2.444 ( 5.644 5.367 15.767) 17.586 2.939 ( 3.457 -1.975 -0.722) 4.046 3.226 ( 4.214 -7.938 -9.537) 13.104 3.437 ( -5.239 -2.176 -6.724) 8.797 3.611 ( -2.509 -2.416 -0.298) 3.496 3.866 ( 2.800 9.546 -8.629) 13.169 3.966 ( 3.696 4.220 -0.624) 5.644 4.895 ( 3.761 0.185 10.816) 11.453 5.244 ( -3.228 3.851 5.806) 7.678 5.572 ( -5.519 -2.226 0.810) 6.006 6.114 ( -0.850 -3.218 0.775) 3.417 6.883 ( -7.771 -0.376 -1.094) 7.857 7.279 ( -4.611 -3.422 5.742) 8.120 8.046 ( 1.523 -7.395 31.608) 32.497 8.598 ( -15.106 -17.832 13.683) 27.082 9.211 ( -8.258 -3.390 13.192) 15.928 9.621 ( -0.127 -10.820 15.338) 18.770 10.077 ( -11.337 7.063 -2.201) 13.537 10.380 ( 9.743 17.752 7.926) 21.746 10.532 ( -1.270 5.011 -3.281) 6.123 11.604 ( 17.111 8.309 0.791) 19.038 11.787 ( 6.826 9.041 -11.647) 16.248 12.059 ( -3.173 -5.942 -13.049) 14.685 13.446 ( -2.264 5.734 9.303) 11.160 13.871 ( 5.793 7.762 1.658) 9.826 14.163 ( -5.536 -1.178 -0.489) 5.681 14.829 ( -1.422 -6.913 -13.325) 15.079 18.329 ( 14.001 -0.699 -7.843) 16.064 18.456 ( -15.721 -1.361 -18.467) 24.291 19.353 ( -3.051 -5.592 -1.182) 6.479 19.736 ( 9.026 1.995 -5.741) 10.881 21.524 ( -22.405 -6.860 4.421) 23.845 21.897 ( 15.894 5.143 6.373) 17.880 23.912 ( -7.300 4.537 -0.866) 8.639 24.224 ( 7.944 0.060 -2.381) 8.293 ======================= Grid point 537 (265/432) ======================= q-point: ( 0.27 -0.73 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -2.329 0.000 -5.361) 5.845 2.349 ( -6.936 0.000 1.389) 7.073 3.051 ( -0.636 0.000 -9.305) 9.326 3.206 ( -3.354 0.000 4.010) 5.228 3.540 ( -10.436 0.000 6.829) 12.472 3.568 ( 9.076 -0.000 2.845) 9.512 4.110 ( -8.321 0.000 -6.282) 10.426 4.304 ( 11.365 -0.000 7.611) 13.678 4.512 ( -16.235 0.000 -1.047) 16.269 4.703 ( 3.735 -0.000 6.139) 7.186 5.036 ( -10.821 0.000 0.003) 10.821 5.970 ( 3.258 -0.000 -7.371) 8.059 6.209 ( -10.602 0.000 9.287) 14.095 7.173 ( -8.275 0.000 -0.277) 8.279 7.920 ( -5.764 0.000 -14.611) 15.707 8.752 ( -16.901 0.000 16.054) 23.310 8.823 ( -14.107 0.000 8.194) 16.314 9.349 ( -8.884 0.000 -2.160) 9.143 9.648 ( -18.275 0.000 19.338) 26.608 10.157 ( 1.463 -0.000 -8.481) 8.606 11.732 ( 12.837 -0.000 6.626) 14.446 11.982 ( 18.206 -0.000 -2.443) 18.369 12.358 ( 19.085 -0.000 -19.233) 27.096 13.045 ( -0.471 0.000 -2.673) 2.714 13.399 ( -5.975 0.000 -5.528) 8.140 13.726 ( -16.619 0.000 9.260) 19.025 14.267 ( 17.836 -0.000 12.039) 21.519 14.531 ( 7.871 -0.000 -10.761) 13.332 16.703 ( -12.617 0.000 9.330) 15.692 18.869 ( 4.610 -0.000 -11.094) 12.014 19.623 ( 11.599 -0.000 11.511) 16.341 19.798 ( 11.614 -0.000 -0.759) 11.638 20.622 ( -1.481 0.000 -13.457) 13.539 22.674 ( -17.536 0.000 6.116) 18.572 24.166 ( 10.957 -0.000 2.347) 11.205 24.622 ( 0.679 -0.000 2.343) 2.439 ======================= Grid point 539 (266/432) ======================= q-point: (-0.64 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -1.690 2.408 0.502) 2.985 2.321 ( -4.201 3.801 8.791) 10.459 2.972 ( 0.840 -2.861 -6.177) 6.859 3.226 ( -1.806 -4.375 2.341) 5.280 3.412 ( -17.430 1.619 5.005) 18.206 3.629 ( -1.201 -0.918 -2.829) 3.207 3.988 ( -2.673 0.011 -2.495) 3.656 4.354 ( -8.903 -0.638 3.621) 9.633 4.500 ( 6.771 0.075 5.914) 8.990 4.820 ( 3.278 -1.522 -0.434) 3.640 4.956 ( -5.696 -1.056 9.502) 11.129 5.924 ( 5.298 2.026 -8.998) 10.637 6.202 ( -9.203 0.558 13.363) 16.235 7.051 ( -13.318 -4.879 0.661) 14.199 7.748 ( -0.050 -1.514 -10.095) 10.208 8.489 ( -24.797 1.278 2.650) 24.971 8.932 ( -3.678 -0.421 16.556) 16.965 9.265 ( -7.506 -6.966 0.579) 10.257 9.596 ( -21.076 0.351 18.128) 27.801 10.116 ( 4.237 1.007 -4.415) 6.202 11.910 ( 10.329 5.946 0.993) 11.960 12.111 ( 10.153 7.873 -2.794) 13.148 12.378 ( 21.316 7.371 -17.875) 28.779 12.978 ( -2.264 -0.323 -4.782) 5.301 13.322 ( -3.103 -5.227 -1.933) 6.378 13.621 ( -14.934 -1.011 9.209) 17.574 14.471 ( 8.300 5.447 -5.173) 11.194 14.624 ( 10.855 -10.885 -1.301) 15.428 16.758 ( -6.468 -1.541 22.050) 23.031 18.803 ( 6.867 -1.487 -15.613) 17.121 19.851 ( 7.333 2.171 7.050) 10.402 19.993 ( 19.914 -0.212 -2.234) 20.040 20.433 ( -3.627 0.517 -12.772) 13.287 22.499 ( -20.494 -4.308 4.879) 21.503 24.288 ( 6.503 5.031 1.834) 8.425 24.652 ( -1.472 -3.150 1.701) 3.871 ======================= Grid point 540 (267/432) ======================= q-point: (-0.55 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -3.997 5.981 6.758) 9.870 2.343 ( -3.096 11.126 13.374) 17.670 2.977 ( -0.237 -6.162 -1.691) 6.394 3.200 ( -14.449 1.950 1.661) 14.674 3.285 ( -1.800 -7.406 1.120) 7.703 3.547 ( -6.704 -7.105 -5.738) 11.329 3.957 ( 4.580 5.154 -1.346) 7.025 4.323 ( -7.636 0.815 6.923) 10.339 4.612 ( 0.826 -1.690 2.890) 3.448 4.867 ( 3.264 -6.087 2.226) 7.257 5.081 ( 1.699 1.167 12.302) 12.473 5.886 ( 6.943 2.255 -8.196) 10.976 6.260 ( -7.016 -0.115 15.802) 17.290 6.935 ( -16.667 -9.453 4.016) 19.577 7.708 ( 3.929 -2.847 -5.805) 7.566 8.211 ( -18.578 -0.886 0.388) 18.603 9.062 ( -4.853 0.104 15.854) 16.581 9.263 ( -6.618 -8.795 3.137) 11.444 9.511 ( -22.594 -1.446 17.814) 28.809 10.154 ( 6.634 0.828 -0.165) 6.687 11.888 ( 7.212 18.977 -7.412) 21.612 12.075 ( 4.726 6.631 -8.212) 11.565 12.404 ( 18.034 14.049 -7.494) 24.058 12.909 ( 0.678 -0.833 -7.538) 7.615 13.326 ( -3.924 -4.351 2.627) 6.421 13.579 ( -9.031 -3.824 8.574) 13.027 14.444 ( 4.839 2.621 -7.583) 9.370 14.793 ( 5.330 -11.169 -4.866) 13.297 17.047 ( 0.585 -5.467 29.737) 30.241 18.717 ( 8.142 -2.698 -20.227) 21.971 19.901 ( 1.122 7.564 -2.380) 8.009 20.161 ( 4.923 -2.245 -12.014) 13.176 20.364 ( 16.175 -0.583 0.511) 16.194 22.332 ( -21.372 -7.277 6.002) 23.361 24.299 ( 3.430 8.054 -0.554) 8.772 24.661 ( -4.810 -4.688 0.270) 6.722 ======================= Grid point 541 (268/432) ======================= q-point: (-0.45 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -8.510 6.617 10.309) 14.916 2.341 ( -3.433 15.467 14.007) 21.147 2.988 ( -5.567 -5.456 -0.072) 7.795 3.079 ( -5.739 1.338 4.840) 7.626 3.325 ( 0.947 -4.077 -1.734) 4.530 3.490 ( -3.786 -13.005 -6.240) 14.913 3.987 ( 9.259 4.258 -3.370) 10.734 4.273 ( -10.025 1.942 6.715) 12.221 4.629 ( -2.095 0.416 3.414) 4.027 5.060 ( 6.528 -10.422 4.949) 13.257 5.225 ( 2.407 3.515 11.859) 12.601 5.892 ( 7.575 0.814 -5.554) 9.428 6.371 ( -4.996 -1.711 16.775) 17.587 6.886 ( -15.172 -12.492 9.016) 21.622 7.728 ( 3.722 -0.979 -4.694) 6.070 8.048 ( -12.929 -7.355 2.153) 15.030 9.153 ( -5.643 1.722 13.541) 14.770 9.295 ( -11.669 -4.205 13.016) 17.980 9.463 ( -15.749 -9.180 13.277) 22.552 10.268 ( 8.542 1.494 3.986) 9.544 11.646 ( 4.087 28.545 -11.144) 30.915 11.974 ( 4.452 3.319 -12.014) 13.235 12.430 ( 11.580 13.486 -3.251) 18.070 12.787 ( -1.022 6.664 -11.032) 12.929 13.347 ( -5.110 -2.525 6.721) 8.813 13.647 ( -0.181 -3.519 8.204) 8.929 14.392 ( 1.186 1.835 -5.120) 5.567 14.849 ( 1.166 -12.377 -9.913) 15.900 17.499 ( 5.982 -9.822 29.368) 31.540 18.615 ( 9.044 -4.516 -22.491) 24.658 19.709 ( -4.701 8.938 -12.335) 15.942 20.064 ( -3.834 -3.335 -7.105) 8.735 20.702 ( 27.921 0.882 2.223) 28.024 22.188 ( -21.828 -8.173 6.722) 24.258 24.254 ( 2.842 7.280 -2.460) 8.193 24.590 ( -9.011 -2.272 -2.235) 9.558 ======================= Grid point 542 (269/432) ======================= q-point: (-0.36 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -8.640 5.033 11.106) 14.944 2.335 ( -2.667 13.783 15.050) 20.581 2.925 ( -6.284 -3.152 -1.671) 7.226 3.107 ( 1.912 0.701 2.875) 3.523 3.376 ( 1.908 -3.823 2.598) 5.001 3.493 ( -2.058 -12.369 -7.171) 14.445 4.032 ( 11.498 4.888 -6.542) 14.103 4.173 ( -10.864 -0.625 1.615) 11.001 4.672 ( -0.192 3.551 10.181) 10.785 5.256 ( 1.899 -6.646 4.676) 8.345 5.360 ( 3.918 1.158 8.806) 9.708 5.940 ( 6.068 -1.198 -2.408) 6.637 6.541 ( -2.281 -4.956 16.818) 17.680 6.961 ( -9.372 -13.538 13.491) 21.286 7.686 ( -1.531 1.470 -4.478) 4.955 8.043 ( -8.388 -13.224 5.558) 16.617 9.190 ( -7.661 4.694 13.731) 16.409 9.298 ( -21.740 -5.397 20.999) 30.703 9.595 ( 0.630 -13.834 8.825) 16.421 10.432 ( 9.737 4.853 7.867) 13.426 11.314 ( 2.277 29.187 -10.349) 31.051 11.873 ( 5.256 1.176 -14.035) 15.033 12.385 ( 7.018 15.510 -5.616) 17.926 12.523 ( -6.440 10.805 -12.677) 17.859 13.389 ( -4.303 -1.091 8.992) 10.028 13.793 ( 5.937 1.366 8.198) 10.214 14.330 ( -2.335 1.439 -2.377) 3.629 14.818 ( -1.315 -13.196 -13.868) 19.188 17.965 ( 8.586 -9.242 18.046) 22.017 18.561 ( 9.026 -9.481 -16.149) 20.788 19.407 ( -5.988 6.517 -15.417) 17.776 19.954 ( -4.511 -1.400 -6.175) 7.775 21.098 ( 28.619 3.019 4.341) 29.103 22.030 ( -22.876 -7.457 5.256) 24.628 24.210 ( 3.474 4.860 -3.402) 6.875 24.418 ( -11.667 1.641 -3.755) 12.366 ======================= Grid point 543 (270/432) ======================= q-point: (-0.27 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -3.048 3.319 11.735) 12.570 2.393 ( 0.271 9.420 15.487) 18.128 2.879 ( -0.765 -2.456 -1.503) 2.979 3.134 ( 1.513 -1.925 -3.366) 4.162 3.457 ( -1.502 -7.018 -8.273) 10.952 3.488 ( -1.033 -5.965 5.550) 8.213 4.041 ( 1.615 4.875 -2.019) 5.518 4.076 ( 4.300 1.562 -7.473) 8.762 4.780 ( 1.000 4.098 13.126) 13.787 5.322 ( -1.848 1.524 4.751) 5.321 5.486 ( 0.889 -3.532 4.445) 5.746 6.006 ( 2.774 -3.002 0.076) 4.088 6.752 ( -0.765 -7.520 12.794) 14.860 7.131 ( -5.287 -10.993 10.505) 16.098 7.634 ( -2.985 -1.690 7.377) 8.135 8.151 ( -5.344 -15.846 6.867) 18.078 9.186 ( -14.629 2.780 17.835) 23.234 9.330 ( -13.920 -6.635 18.079) 23.762 9.846 ( 3.382 -13.607 7.923) 16.105 10.592 ( 9.194 11.716 9.016) 17.409 11.021 ( 1.516 23.748 -5.696) 24.468 11.762 ( 4.676 2.954 -14.457) 15.479 12.207 ( -4.429 8.225 -13.187) 16.160 12.228 ( 2.513 16.675 -8.599) 18.930 13.451 ( -3.222 0.087 9.731) 10.251 13.941 ( 7.829 6.932 7.164) 12.676 14.249 ( -5.427 1.149 -1.082) 5.652 14.742 ( -1.700 -13.247 -14.865) 19.983 18.212 ( 11.219 -2.118 -3.523) 11.948 18.633 ( -2.593 -11.851 -4.656) 12.994 19.169 ( 1.211 -1.040 -10.533) 10.653 19.838 ( -1.730 0.922 -6.810) 7.087 21.471 ( 18.766 5.143 8.266) 21.141 21.842 ( -16.513 -5.811 1.381) 17.560 24.176 ( -5.187 2.371 -3.351) 6.615 24.214 ( -1.648 4.075 -3.265) 5.476 ======================= Grid point 544 (271/432) ======================= q-point: (-0.18 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 1.212 1.638 11.887) 12.060 2.530 ( 5.197 4.780 12.558) 14.406 2.914 ( 3.525 -0.694 1.648) 3.953 3.117 ( 1.548 -4.931 -7.456) 9.072 3.374 ( -1.923 -5.461 -10.102) 11.643 3.544 ( -8.974 -5.097 5.485) 11.688 4.004 ( 3.194 4.637 -0.448) 5.648 4.051 ( 11.372 7.304 -10.908) 17.368 4.915 ( 1.528 2.210 12.037) 12.333 5.312 ( -3.190 3.416 3.504) 5.842 5.525 ( -5.560 -2.710 3.338) 7.028 6.054 ( -0.884 -3.750 0.770) 3.929 6.859 ( -5.815 -2.939 2.298) 6.909 7.188 ( -5.977 -7.542 5.385) 11.027 7.904 ( 4.938 -8.871 25.231) 27.197 8.289 ( -6.374 -17.182 5.691) 19.189 9.185 ( -14.247 -0.744 17.945) 22.925 9.461 ( -6.633 -8.055 18.893) 21.583 10.029 ( -1.234 -8.046 3.293) 8.781 10.661 ( 6.586 15.202 5.955) 17.605 10.790 ( -4.002 20.668 -2.713) 21.226 11.681 ( 11.013 2.478 -10.331) 15.302 11.923 ( -15.479 -0.477 -8.943) 17.883 12.099 ( 18.979 17.098 -11.513) 28.020 13.513 ( -2.854 1.677 9.338) 9.907 14.017 ( 3.163 8.546 3.448) 9.743 14.158 ( -4.249 1.169 -0.578) 4.444 14.680 ( 0.117 -10.655 -11.469) 15.655 18.317 ( 12.442 -0.687 -6.380) 13.999 18.431 ( -13.035 -1.587 -15.724) 20.486 19.231 ( 1.590 -8.606 0.671) 8.778 19.766 ( 5.313 1.433 -6.839) 8.778 21.447 ( -23.545 -2.098 3.256) 23.861 21.974 ( 22.953 4.100 6.146) 24.113 23.988 ( -8.501 4.069 -2.495) 9.750 24.226 ( 5.483 0.209 -2.069) 5.864 ======================= Grid point 545 (272/432) ======================= q-point: (-0.09 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 1.113 -1.893 9.690) 9.936 2.710 ( 9.273 3.866 7.823) 12.733 3.004 ( 2.839 -0.666 5.315) 6.063 3.103 ( 4.420 -5.070 -9.836) 11.916 3.285 ( -2.355 -2.308 -6.692) 7.460 3.480 ( -10.372 -4.860 2.160) 11.656 3.974 ( 10.004 11.609 -11.533) 19.180 4.055 ( 7.122 3.920 0.549) 8.148 5.037 ( 0.128 0.483 8.615) 8.629 5.258 ( -4.380 1.587 -1.403) 4.866 5.473 ( -11.547 -0.585 5.953) 13.004 6.061 ( -3.054 -3.545 -0.176) 4.682 6.730 ( -12.478 -0.124 -1.796) 12.607 7.266 ( -2.520 -4.335 6.708) 8.375 8.263 ( -3.012 -10.884 9.034) 14.462 8.474 ( -1.776 -14.396 22.044) 26.388 9.232 ( -11.480 -2.962 17.135) 20.837 9.720 ( -0.568 -13.605 18.161) 22.699 9.966 ( -10.385 9.457 -1.252) 14.101 10.455 ( -11.301 13.575 -4.978) 18.351 10.759 ( 13.904 10.431 3.490) 17.728 11.553 ( -11.763 -1.596 -13.095) 17.674 11.860 ( 17.917 -1.092 -6.373) 19.048 12.181 ( 21.609 9.809 -0.712) 23.742 13.549 ( -3.139 4.204 8.043) 9.603 13.964 ( -4.970 2.145 -0.249) 5.419 14.109 ( -0.197 4.347 -0.594) 4.392 14.664 ( 2.836 -4.434 -6.661) 8.489 18.013 ( -16.899 -0.035 -19.456) 25.770 18.478 ( 15.612 -0.264 -1.695) 15.706 19.246 ( -4.917 -1.594 -0.924) 5.251 19.791 ( 6.232 -0.082 -4.105) 7.462 21.179 ( -20.105 -4.805 -2.056) 20.773 22.321 ( 20.580 6.893 10.880) 24.278 23.847 ( -3.971 2.530 -2.826) 5.491 24.293 ( 5.751 -1.431 -0.297) 5.934 ======================= Grid point 550 (273/432) ======================= q-point: ( 0.36 -0.64 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -2.861 0.000 5.489) 6.189 2.452 ( 1.200 -0.000 13.005) 13.060 2.918 ( -0.286 0.000 -1.194) 1.228 3.189 ( -16.326 0.000 4.656) 16.977 3.235 ( -2.521 0.000 -0.562) 2.582 3.490 ( -6.500 0.000 -7.497) 9.923 3.991 ( 2.633 -0.000 -2.558) 3.671 4.346 ( -2.896 0.000 8.081) 8.584 4.600 ( 0.888 -0.000 3.489) 3.600 4.801 ( -1.251 0.000 2.210) 2.540 5.094 ( 2.574 -0.000 13.390) 13.635 5.906 ( 6.280 -0.000 -8.840) 10.844 6.258 ( -7.746 0.000 15.822) 17.616 6.852 ( -16.666 0.000 4.016) 17.143 7.683 ( 4.861 -0.000 -6.264) 7.929 8.206 ( -20.019 0.000 -0.575) 20.028 9.062 ( -6.597 0.000 17.906) 19.083 9.176 ( -4.590 0.000 3.346) 5.680 9.510 ( -22.643 0.000 17.692) 28.736 10.161 ( 6.655 -0.000 -0.746) 6.697 12.060 ( 9.763 -0.000 -3.920) 10.521 12.108 ( 3.851 -0.000 -12.812) 13.379 12.609 ( 24.635 -0.000 -8.258) 25.982 12.832 ( -8.873 0.000 -5.669) 10.530 13.300 ( 3.292 -0.000 1.239) 3.517 13.536 ( -13.684 0.000 10.493) 17.244 14.469 ( 8.017 -0.000 -13.905) 16.050 14.692 ( 2.387 -0.000 1.807) 2.994 17.001 ( -0.448 0.000 29.390) 29.393 18.694 ( 8.053 -0.000 -20.292) 21.831 19.977 ( 2.133 -0.000 2.049) 2.958 20.134 ( 1.783 -0.000 -15.357) 15.460 20.355 ( 18.857 -0.000 -1.521) 18.918 22.272 ( -20.698 0.000 6.757) 21.773 24.383 ( 1.789 -0.000 1.193) 2.151 24.605 ( -3.845 0.000 -0.873) 3.942 ======================= Grid point 552 (274/432) ======================= q-point: (-0.55 0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -7.314 2.884 6.785) 10.385 2.578 ( 1.530 10.605 11.399) 15.644 2.918 ( -4.991 -2.033 3.053) 6.193 3.039 ( -12.622 -6.220 5.563) 15.131 3.270 ( 3.340 -1.046 -0.319) 3.515 3.354 ( -1.921 -3.286 -7.075) 8.034 3.982 ( 3.561 -1.994 -6.024) 7.276 4.368 ( -3.439 5.857 4.060) 7.913 4.639 ( -1.240 0.710 6.840) 6.987 4.897 ( 2.566 -7.222 7.227) 10.535 5.272 ( 2.522 1.636 12.661) 13.013 5.900 ( 6.360 0.219 -6.552) 9.134 6.350 ( -6.592 -0.717 16.488) 17.772 6.734 ( -14.619 -4.887 9.131) 17.916 7.713 ( 6.672 -0.563 -3.784) 7.690 7.969 ( -15.073 -2.230 -1.345) 15.296 9.153 ( -11.280 -0.510 18.858) 21.980 9.216 ( -0.403 -3.558 6.511) 7.431 9.411 ( -21.974 0.200 17.666) 28.196 10.279 ( 9.324 0.169 3.276) 9.884 11.981 ( 5.633 5.784 -14.729) 16.797 12.053 ( 6.541 8.557 -12.674) 16.633 12.585 ( -7.235 7.185 -1.489) 10.304 12.836 ( 12.407 -3.154 -9.242) 15.789 13.373 ( 1.543 6.926 6.730) 9.780 13.548 ( -3.031 -8.061 9.116) 12.541 14.406 ( 5.374 -0.008 -12.406) 13.520 14.703 ( -3.650 -4.461 -1.673) 6.002 17.385 ( 4.129 -3.489 30.873) 31.343 18.561 ( 8.368 -1.720 -23.174) 24.698 19.844 ( -6.816 6.382 -15.045) 17.707 19.996 ( -3.149 -4.224 -4.656) 7.031 20.705 ( 30.499 -0.099 0.265) 30.500 22.105 ( -19.488 -2.236 7.996) 21.183 24.365 ( -0.487 5.079 -1.052) 5.209 24.534 ( -6.754 -3.496 -2.574) 8.029 ======================= Grid point 553 (275/432) ======================= q-point: (-0.45 0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -6.969 3.813 7.003) 10.590 2.577 ( -1.747 14.737 10.455) 18.154 2.872 ( -6.218 -2.638 -0.269) 6.760 3.079 ( -2.838 -7.368 4.710) 9.194 3.289 ( -1.102 -3.462 -0.698) 3.700 3.360 ( 2.614 -3.509 -0.812) 4.451 4.009 ( 7.423 -4.332 -6.560) 10.812 4.253 ( -4.191 6.640 -3.811) 8.728 4.731 ( 0.002 3.469 13.172) 13.621 5.098 ( 3.318 -9.675 6.691) 12.222 5.410 ( 0.895 3.022 11.220) 11.654 5.922 ( 4.993 -1.011 -3.677) 6.283 6.470 ( -5.347 -3.222 16.122) 17.288 6.768 ( -8.241 -8.484 13.533) 17.973 7.715 ( -2.261 2.137 -3.563) 4.730 7.865 ( -4.067 -7.994 0.634) 8.992 9.201 ( -17.893 -2.766 21.422) 28.049 9.288 ( -13.861 3.318 15.629) 21.152 9.417 ( 0.106 -7.378 10.521) 12.851 10.476 ( 11.958 1.065 7.369) 14.086 11.763 ( 3.277 21.822 -16.577) 27.599 11.893 ( 4.929 1.452 -15.725) 16.543 12.431 ( -11.405 -0.486 -1.030) 11.462 12.815 ( 9.248 12.086 -12.985) 20.005 13.390 ( -5.220 3.872 11.165) 12.919 13.769 ( 10.423 -4.813 7.994) 13.989 14.337 ( 1.159 -0.710 -7.872) 7.989 14.637 ( -6.777 -7.322 -6.227) 11.760 17.832 ( 6.943 -6.043 26.280) 27.845 18.443 ( 8.678 -4.560 -20.690) 22.895 19.502 ( -9.075 4.462 -17.707) 20.391 19.922 ( -3.537 -1.962 -4.827) 6.298 21.131 ( 32.142 0.988 2.067) 32.224 21.955 ( -19.182 -2.165 6.253) 20.292 24.291 ( -0.530 4.652 -2.817) 5.464 24.415 ( -9.232 -1.690 -3.572) 10.043 ======================= Grid point 554 (276/432) ======================= q-point: (-0.36 0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 0.209 4.070 7.789) 8.791 2.561 ( -2.409 10.458 10.780) 15.211 2.840 ( 0.495 -1.974 -0.259) 2.051 3.116 ( -1.009 -1.277 -1.182) 2.012 3.285 ( -4.075 -9.905 -4.234) 11.517 3.428 ( -1.668 -3.435 5.297) 6.530 4.067 ( 2.374 -0.001 -2.711) 3.603 4.132 ( 8.823 3.400 -9.893) 13.685 4.854 ( -0.177 4.412 13.977) 14.658 5.260 ( 0.921 -7.332 3.468) 8.162 5.495 ( -1.660 3.275 9.342) 10.037 5.960 ( 2.147 -2.502 -0.828) 3.399 6.627 ( -3.635 -6.909 14.168) 16.177 6.938 ( -2.761 -10.604 11.861) 16.148 7.620 ( -6.751 -0.344 4.299) 8.011 7.946 ( 2.950 -8.499 0.201) 8.999 9.196 ( -26.640 -3.099 25.193) 36.797 9.277 ( -8.870 1.629 15.391) 17.838 9.656 ( 5.858 -8.894 9.652) 14.373 10.720 ( 12.195 4.406 10.089) 16.429 11.409 ( -0.603 20.448 -14.863) 25.286 11.789 ( 7.053 0.839 -15.803) 17.326 12.225 ( -14.702 3.138 -3.608) 15.460 12.628 ( 8.767 19.437 -15.247) 26.213 13.435 ( -5.339 -0.421 11.445) 12.636 14.028 ( 11.758 2.421 8.337) 14.616 14.265 ( -3.575 0.364 -2.800) 4.556 14.526 ( -5.890 -11.173 -10.910) 16.690 18.180 ( 9.333 -1.674 6.439) 11.461 18.445 ( 4.581 -9.689 -4.796) 11.741 19.168 ( -6.951 0.480 -16.008) 17.458 19.839 ( -1.086 -0.458 -5.830) 5.948 21.553 ( 24.072 4.192 5.734) 25.098 21.776 ( -13.449 -2.213 1.400) 13.702 24.205 ( -5.580 1.245 -3.763) 6.844 24.269 ( -3.818 2.284 -2.910) 5.316 ======================= Grid point 555 (277/432) ======================= q-point: (-0.27 0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 4.428 4.612 8.057) 10.286 2.603 ( 2.368 3.909 8.902) 10.007 2.917 ( 6.206 0.787 3.972) 7.410 3.065 ( -1.880 -1.100 -4.563) 5.056 3.254 ( -1.929 -8.514 -7.430) 11.464 3.452 ( -10.862 -5.602 5.916) 13.578 4.045 ( 5.188 1.292 -4.192) 6.794 4.169 ( 14.039 5.487 -9.547) 17.843 4.962 ( -1.007 3.060 12.153) 12.572 5.315 ( -2.585 -3.569 0.178) 4.411 5.521 ( -5.650 2.757 8.270) 10.388 5.993 ( -1.105 -3.383 0.828) 3.654 6.778 ( -3.900 -6.491 7.845) 10.904 7.038 ( -6.633 -9.597 2.916) 12.025 7.768 ( 4.310 -6.925 20.533) 22.094 8.061 ( 2.932 -9.537 -1.032) 10.031 9.162 ( -22.123 -2.301 22.680) 31.766 9.361 ( -9.772 -3.601 19.817) 22.387 9.895 ( 4.646 -7.051 7.212) 11.105 10.876 ( 4.103 10.281 5.435) 12.332 11.106 ( -2.840 14.687 -9.115) 17.517 11.716 ( 9.817 1.848 -12.914) 16.327 11.945 ( -11.930 5.917 -5.548) 14.426 12.429 ( 11.896 18.844 -13.464) 26.036 13.505 ( -4.861 -1.950 10.677) 11.893 14.113 ( -7.664 2.792 1.218) 8.248 14.225 ( 4.374 5.868 1.662) 7.505 14.483 ( 2.969 -12.139 -7.854) 14.760 18.309 ( 10.569 -0.181 -4.543) 11.506 18.403 ( -8.814 -1.838 -11.592) 14.677 19.081 ( 1.932 -8.589 0.743) 8.835 19.782 ( 3.821 0.484 -6.790) 7.806 21.450 ( -21.702 1.990 0.038) 21.793 22.034 ( 28.354 3.014 5.638) 29.066 24.041 ( -8.712 2.220 -3.192) 9.540 24.232 ( 2.072 0.405 -1.723) 2.725 ======================= Grid point 556 (278/432) ======================= q-point: (-0.18 0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 0.237 2.272 7.706) 8.038 2.762 ( 10.682 2.333 6.807) 12.880 2.998 ( -2.214 -1.288 1.758) 3.107 3.048 ( 7.138 0.354 -2.712) 7.644 3.237 ( 3.469 -4.465 -6.632) 8.716 3.380 ( -14.553 -6.364 4.857) 16.609 4.075 ( 9.041 0.540 -8.219) 12.230 4.173 ( 10.684 9.672 -5.980) 15.603 5.047 ( -2.106 0.427 8.844) 9.102 5.260 ( -6.432 -1.719 -3.198) 7.386 5.489 ( -9.575 2.978 8.540) 13.171 6.001 ( -3.365 -3.445 0.533) 4.845 6.722 ( -11.902 -1.048 -1.981) 12.111 7.135 ( -1.724 -11.017 8.109) 13.788 8.109 ( 2.967 -6.574 -1.218) 7.315 8.240 ( 7.024 -13.251 21.441) 26.166 9.174 ( -17.039 -3.856 20.614) 27.021 9.529 ( -8.224 -9.028 21.238) 24.499 10.029 ( 0.845 0.423 3.885) 3.998 10.743 ( -13.627 16.317 -2.807) 21.443 10.872 ( 1.464 4.274 -7.736) 8.958 11.617 ( -8.171 9.855 -4.570) 13.593 11.851 ( 17.386 0.130 -8.940) 19.550 12.375 ( 17.553 12.622 -5.143) 22.223 13.572 ( -5.115 -1.534 10.028) 11.361 13.969 ( -10.044 0.387 -0.904) 10.092 14.199 ( -0.180 3.058 -3.279) 4.487 14.599 ( 9.616 -2.140 -0.497) 9.864 18.016 ( -16.590 0.391 -19.218) 25.392 18.473 ( 14.762 -0.335 -0.787) 14.787 19.198 ( -0.201 -4.019 3.443) 5.295 19.788 ( 7.120 -0.253 -5.346) 8.907 21.134 ( -20.252 -0.461 -4.072) 20.663 22.431 ( 24.704 5.974 8.857) 26.915 23.889 ( -5.704 2.375 -3.260) 6.986 24.265 ( 3.136 -1.905 0.293) 3.680 ======================= Grid point 557 (279/432) ======================= q-point: (-0.09 -0.64 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -5.680 -1.468 6.083) 8.451 2.922 ( 5.934 0.612 3.024) 6.689 3.031 ( 3.388 0.575 -6.469) 7.326 3.103 ( 4.745 -1.058 4.988) 6.965 3.158 ( -6.230 -1.197 -3.952) 7.474 3.436 ( 5.370 -3.981 6.061) 9.024 4.036 ( 10.643 8.318 -14.126) 19.545 4.199 ( 5.063 3.564 1.798) 6.447 5.071 ( -7.871 -2.766 -0.775) 8.378 5.116 ( -8.132 1.523 -0.118) 8.274 5.420 ( -10.713 2.878 7.358) 13.311 5.979 ( -3.448 -3.567 -1.226) 5.110 6.526 ( -14.869 -0.887 -1.177) 14.942 7.289 ( 0.087 -5.422 7.130) 8.958 8.125 ( -0.297 -8.042 -6.022) 10.051 8.683 ( 3.450 -9.936 21.723) 24.135 9.231 ( -14.533 -4.815 18.666) 24.141 9.734 ( -7.740 -11.215 13.669) 19.301 9.972 ( -7.187 12.728 4.237) 15.219 10.349 ( -12.076 14.079 -6.269) 19.579 10.875 ( 4.315 -13.810 -7.184) 16.154 11.392 ( -2.567 15.069 -0.563) 15.297 11.996 ( 19.826 -1.914 -12.608) 23.573 12.562 ( 20.413 5.754 5.354) 21.874 13.618 ( -5.812 0.435 10.143) 11.698 13.843 ( -7.707 -1.022 -0.992) 7.837 14.120 ( -1.859 3.049 -3.431) 4.952 14.716 ( 10.049 4.671 -0.724) 11.105 17.565 ( -17.990 -0.183 -18.859) 26.064 18.695 ( 15.077 -0.518 4.399) 15.715 19.202 ( -0.676 3.311 -1.177) 3.579 19.812 ( 1.823 1.144 -1.979) 2.924 20.876 ( -11.677 -5.505 -7.356) 14.858 22.767 ( 17.045 8.930 12.158) 22.762 23.783 ( -0.818 0.442 -5.239) 5.321 24.349 ( 3.635 -2.987 2.742) 5.445 ======================= Grid point 563 (280/432) ======================= q-point: ( 0.45 -0.55 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -5.932 0.000 5.095) 7.820 2.762 ( 1.818 -0.000 3.822) 4.232 2.879 ( -5.233 0.000 5.197) 7.375 2.906 ( -8.470 0.000 4.709) 9.691 3.283 ( -1.122 0.000 -2.028) 2.318 3.330 ( 2.018 -0.000 3.007) 3.622 3.965 ( 8.244 -0.000 -6.222) 10.329 4.317 ( -3.705 0.000 -7.576) 8.434 4.772 ( 0.198 -0.000 14.362) 14.363 4.997 ( 3.209 -0.000 8.862) 9.425 5.438 ( 0.476 -0.000 11.818) 11.828 5.912 ( 4.535 -0.000 -4.235) 6.205 6.442 ( -6.623 0.000 15.779) 17.112 6.695 ( -7.657 0.000 13.548) 15.562 7.758 ( -12.902 0.000 -0.982) 12.940 7.774 ( 8.236 -0.000 -3.431) 8.922 9.175 ( -21.794 0.000 24.285) 32.630 9.331 ( 5.348 -0.000 9.484) 10.888 9.344 ( -16.364 0.000 15.272) 22.383 10.483 ( 12.846 -0.000 7.007) 14.633 11.891 ( 6.393 -0.000 -16.414) 17.615 11.982 ( 1.499 -0.000 -21.240) 21.293 12.426 ( -10.807 0.000 -0.271) 10.811 12.886 ( 4.869 -0.000 -6.171) 7.860 13.491 ( -9.096 0.000 11.466) 14.636 13.677 ( 19.161 -0.000 4.248) 19.626 14.324 ( 3.653 -0.000 -11.661) 12.220 14.580 ( -10.372 0.000 -0.707) 10.396 17.779 ( 6.266 -0.000 28.640) 29.317 18.406 ( 8.724 -0.000 -21.820) 23.500 19.542 ( -10.889 0.000 -18.888) 21.802 19.903 ( -2.672 0.000 -3.979) 4.793 21.138 ( 33.588 -0.000 1.135) 33.608 21.939 ( -17.875 0.000 6.608) 19.057 24.351 ( -2.310 0.000 -1.836) 2.950 24.380 ( -8.041 0.000 -4.216) 9.080 ======================= Grid point 565 (281/432) ======================= q-point: (-0.45 0.45 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 2.532 2.005 5.478) 6.359 2.716 ( -3.134 5.665 0.744) 6.517 2.840 ( -0.325 3.848 4.294) 5.775 3.017 ( 0.924 -9.617 3.775) 10.373 3.208 ( -6.802 -0.030 -2.023) 7.096 3.375 ( -4.083 -2.204 5.192) 6.963 4.066 ( 12.923 -0.096 -3.530) 13.397 4.169 ( 0.904 1.011 -11.335) 11.416 4.919 ( -0.445 2.834 13.479) 13.781 5.145 ( 1.866 -4.866 5.878) 7.855 5.545 ( -2.358 1.972 10.752) 11.183 5.926 ( 1.858 -1.277 -1.637) 2.786 6.540 ( -5.672 -2.917 14.269) 15.630 6.810 ( -1.633 -4.036 11.954) 12.722 7.616 ( -9.414 -0.143 4.065) 10.255 7.859 ( 9.102 -2.346 -3.841) 10.154 9.147 ( -28.118 -1.772 28.470) 40.054 9.315 ( -12.072 1.680 14.402) 18.867 9.552 ( 7.698 -3.355 10.582) 13.508 10.762 ( 14.642 1.065 9.988) 17.756 11.645 ( -7.069 6.936 -22.279) 24.381 11.798 ( 7.822 0.271 -16.352) 18.128 12.309 ( -6.161 4.963 -0.598) 7.934 12.809 ( 0.891 2.807 -11.024) 11.411 13.484 ( -6.923 5.020 11.280) 14.155 13.999 ( 18.219 -4.391 2.358) 18.889 14.260 ( 1.039 -0.387 -4.415) 4.553 14.413 ( -13.391 -2.394 -2.583) 13.846 18.159 ( 6.478 -0.696 19.646) 20.698 18.330 ( 9.358 -3.602 -13.342) 16.690 19.176 ( -10.920 0.329 -18.322) 21.332 19.831 ( -0.361 -0.342 -5.269) 5.293 21.600 ( 32.457 1.345 3.316) 32.654 21.759 ( -16.889 -0.187 2.011) 17.010 24.219 ( -8.207 0.421 -4.105) 9.186 24.293 ( -2.656 0.652 -2.331) 3.594 ======================= Grid point 566 (282/432) ======================= q-point: (-0.36 0.45 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 9.590 4.976 5.400) 12.078 2.664 ( -0.662 3.459 3.607) 5.041 2.920 ( 6.987 -1.080 3.685) 7.973 3.079 ( -5.370 1.828 -1.909) 5.986 3.117 ( -1.300 -6.170 -0.136) 6.307 3.361 ( -11.436 -4.929 5.020) 13.427 4.060 ( 5.637 0.628 -9.548) 11.105 4.225 ( 15.043 1.391 -5.608) 16.115 5.011 ( -2.480 2.694 10.404) 11.030 5.231 ( -1.815 -5.104 1.399) 5.594 5.585 ( -5.382 3.779 9.616) 11.649 5.942 ( -1.332 -2.561 0.862) 3.012 6.665 ( -3.467 -5.855 11.467) 13.334 6.897 ( -5.444 -6.360 1.376) 8.484 7.681 ( 1.804 -3.369 16.320) 16.762 7.961 ( 9.645 -3.182 -4.606) 11.152 9.116 ( -27.173 -2.539 27.752) 38.923 9.331 ( -12.136 -0.541 18.064) 21.769 9.804 ( 8.048 -3.687 9.689) 13.124 11.007 ( 6.846 5.450 6.905) 11.147 11.250 ( -8.993 3.365 -18.225) 20.599 11.738 ( 11.418 0.745 -14.226) 18.256 12.132 ( -6.559 14.206 -0.928) 15.674 12.655 ( 4.998 6.538 -13.962) 16.207 13.493 ( -6.736 1.702 11.279) 13.247 14.129 ( -5.022 -1.722 -1.965) 5.661 14.234 ( -7.731 -6.191 -7.181) 12.234 14.371 ( 13.537 1.515 7.053) 15.339 18.313 ( 8.143 0.752 -3.207) 8.784 18.369 ( -3.173 -2.159 -6.501) 7.549 18.963 ( -0.391 -5.047 -1.369) 5.244 19.785 ( 3.522 0.014 -6.470) 7.367 21.492 ( -19.109 2.453 -2.888) 19.481 22.073 ( 31.674 1.606 4.868) 32.086 24.064 ( -8.247 0.717 -3.015) 8.810 24.239 ( -1.084 0.350 -1.580) 1.948 ======================= Grid point 567 (283/432) ======================= q-point: (-0.27 -0.55 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 0.122 6.601 5.520) 8.606 2.782 ( 11.443 -0.434 5.978) 12.917 2.982 ( -1.246 0.179 -3.953) 4.148 3.094 ( 5.842 3.335 3.905) 7.778 3.123 ( 0.652 -7.796 -0.854) 7.870 3.289 ( -11.391 -4.406 3.514) 12.709 4.061 ( 9.233 -1.735 -9.637) 13.458 4.306 ( 11.494 5.776 -6.194) 14.278 5.047 ( -5.260 -0.220 6.869) 8.654 5.212 ( -5.971 -3.465 -1.599) 7.087 5.561 ( -8.116 4.856 8.600) 12.783 5.947 ( -3.770 -2.882 1.669) 5.031 6.697 ( -10.070 -1.520 -0.857) 10.220 6.929 ( -1.911 -12.288 6.744) 14.147 8.043 ( 8.553 -1.854 -5.638) 10.411 8.047 ( 11.059 -9.198 19.169) 23.966 9.109 ( -22.198 -3.620 24.369) 33.161 9.417 ( -12.841 -4.571 22.291) 26.128 10.024 ( 6.792 -0.532 7.924) 10.450 10.844 ( -10.570 -0.350 -14.513) 17.958 11.019 ( -9.404 9.659 -4.368) 14.171 11.799 ( 14.875 4.512 -5.888) 16.622 11.924 ( -0.692 14.263 -2.425) 14.484 12.563 ( 11.918 8.057 -9.089) 17.017 13.526 ( -8.069 -2.473 10.863) 13.756 13.989 ( -10.148 1.612 -0.272) 10.279 14.159 ( -3.236 -7.139 -6.004) 9.873 14.616 ( 14.410 3.257 5.606) 15.802 18.025 ( -16.509 0.543 -19.431) 25.503 18.468 ( 13.856 -0.275 0.000) 13.859 19.123 ( 4.260 -4.425 8.756) 10.695 19.784 ( 7.224 -0.227 -6.402) 9.656 21.154 ( -19.212 2.319 -7.779) 20.857 22.514 ( 28.526 3.741 6.604) 29.518 23.926 ( -6.708 1.953 -2.145) 7.308 24.232 ( 0.156 -1.964 0.479) 2.027 ======================= Grid point 568 (284/432) ======================= q-point: (-0.18 -0.55 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( -9.020 2.222 7.457) 11.912 2.928 ( 2.629 1.040 -0.641) 2.899 3.010 ( -11.646 -6.998 1.175) 13.638 3.077 ( 15.700 3.114 2.020) 16.133 3.183 ( 0.968 1.040 -4.329) 4.556 3.373 ( 9.747 -2.767 7.541) 12.630 4.091 ( 10.725 -0.814 -10.831) 15.264 4.292 ( 3.824 6.617 -4.159) 8.701 5.011 ( -10.956 -3.698 0.611) 11.579 5.129 ( -5.692 -0.390 0.079) 5.706 5.490 ( -9.415 5.017 6.645) 12.569 5.926 ( -4.565 -2.686 0.237) 5.302 6.510 ( -14.515 -0.960 -2.300) 14.727 7.132 ( 2.161 -12.274 7.772) 14.688 8.060 ( 6.222 -0.304 -8.839) 10.814 8.501 ( 10.466 -11.134 17.118) 22.947 9.144 ( -17.235 -5.183 20.866) 27.555 9.559 ( -12.132 -8.322 21.230) 25.829 10.137 ( 1.117 6.703 5.212) 8.564 10.565 ( -14.590 0.329 -10.074) 17.733 10.707 ( -7.231 4.365 -9.611) 12.796 11.701 ( -2.631 20.311 3.490) 20.776 11.966 ( 18.057 -1.656 -13.440) 22.571 12.660 ( 17.659 5.220 0.880) 18.435 13.558 ( -11.192 -5.552 11.026) 16.663 13.873 ( -3.763 3.358 0.004) 5.044 14.111 ( -3.338 -4.237 -3.394) 6.373 14.810 ( 13.362 5.984 3.041) 14.954 17.562 ( -18.405 -0.171 -19.813) 27.043 18.685 ( 14.147 -0.529 4.942) 14.995 19.255 ( 3.360 2.799 3.727) 5.745 19.822 ( 5.523 0.049 -3.365) 6.468 20.813 ( -14.305 -1.928 -10.971) 18.131 22.899 ( 23.184 6.353 8.415) 25.469 23.805 ( -4.198 2.359 -3.276) 5.824 24.289 ( 1.271 -4.046 3.587) 5.555 ======================= Grid point 569 (285/432) ======================= q-point: (-0.09 -0.55 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -13.888 -1.024 8.237) 16.180 2.832 ( -16.969 -4.294 -4.102) 17.978 2.968 ( 4.835 -1.163 -1.138) 5.102 3.158 ( 3.578 3.408 0.432) 4.960 3.314 ( 14.242 2.505 2.269) 14.637 3.616 ( 11.982 -0.604 6.303) 13.552 4.095 ( 13.162 5.879 -13.414) 19.692 4.238 ( -5.757 -1.609 2.936) 6.660 4.838 ( -14.659 -0.753 -2.679) 14.921 5.074 ( -4.355 0.581 0.512) 4.423 5.378 ( -9.509 4.655 2.789) 10.949 5.885 ( -3.296 -3.358 -2.375) 5.270 6.313 ( -15.208 -1.607 0.980) 15.324 7.329 ( 2.099 -7.133 6.423) 9.825 8.033 ( 5.183 -0.906 -9.044) 10.464 8.822 ( -0.548 -7.708 11.151) 13.567 9.189 ( -16.124 -4.865 16.828) 23.809 9.678 ( -9.744 -7.968 11.502) 17.051 10.021 ( -11.451 16.550 2.795) 20.318 10.231 ( -9.128 5.411 -4.683) 11.598 10.696 ( 5.362 -15.619 -4.001) 16.992 11.568 ( 0.376 16.263 3.655) 16.673 12.052 ( 17.363 -4.228 -16.210) 24.127 12.893 ( 15.452 2.209 3.550) 16.008 13.571 ( -14.420 -7.061 12.024) 20.060 13.836 ( 2.897 5.652 1.171) 6.458 14.066 ( -2.114 -0.700 -1.480) 2.674 14.927 ( 12.501 9.894 -1.031) 15.976 17.132 ( -18.283 -1.180 -13.183) 22.572 18.952 ( 13.904 -1.169 8.044) 16.106 19.252 ( 3.300 8.863 -2.979) 9.915 19.817 ( -1.330 2.460 -0.494) 2.840 20.609 ( -3.785 -8.472 -11.594) 14.850 23.179 ( 11.419 11.613 11.785) 20.103 23.715 ( 2.263 -1.298 -7.708) 8.137 24.408 ( 2.379 -4.299 6.657) 8.274 ======================= Grid point 576 (286/432) ======================= q-point: (-0.45 0.55 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 12.746 -0.000 5.096) 13.727 2.704 ( -0.170 0.000 -1.847) 1.855 2.894 ( -0.396 0.000 4.960) 4.976 3.052 ( -1.285 0.000 -0.516) 1.385 3.119 ( 0.090 -0.000 3.019) 3.021 3.311 ( -13.130 0.000 5.353) 14.179 4.066 ( 5.344 -0.000 -12.534) 13.625 4.232 ( 15.185 -0.000 -2.991) 15.477 5.040 ( -2.796 0.000 9.195) 9.611 5.179 ( -1.229 0.000 2.345) 2.647 5.621 ( -5.406 0.000 10.097) 11.453 5.918 ( -1.337 0.000 0.748) 1.532 6.612 ( -3.508 0.000 12.131) 12.628 6.842 ( -4.777 0.000 1.329) 4.959 7.653 ( 0.953 -0.000 14.511) 14.542 7.936 ( 11.756 -0.000 -5.556) 13.003 9.093 ( -28.572 0.000 29.624) 41.157 9.329 ( -13.406 0.000 17.295) 21.882 9.773 ( 9.254 -0.000 10.577) 14.053 11.054 ( 9.751 -0.000 8.722) 13.082 11.269 ( -13.560 0.000 -22.117) 25.943 11.744 ( 11.792 -0.000 -14.608) 18.773 12.289 ( -1.806 0.000 -0.734) 1.950 12.680 ( -0.368 0.000 -11.653) 11.658 13.530 ( -7.409 0.000 10.101) 12.527 14.072 ( 3.673 -0.000 -8.393) 9.161 14.193 ( -14.939 0.000 -1.079) 14.978 14.396 ( 13.257 -0.000 8.193) 15.584 18.333 ( 12.036 -0.000 -7.117) 13.982 18.337 ( -5.388 0.000 0.423) 5.405 18.920 ( -1.866 0.000 -2.847) 3.404 19.785 ( 3.529 -0.000 -6.340) 7.256 21.515 ( -17.976 0.000 -3.983) 18.412 22.087 ( 32.799 -0.000 4.471) 33.102 24.070 ( -8.007 0.000 -2.789) 8.479 24.242 ( -2.332 0.000 -1.568) 2.810 ======================= Grid point 578 (287/432) ======================= q-point: (-0.36 -0.45 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 0.892 9.231 3.657) 9.969 2.725 ( 6.924 -6.716 3.688) 10.327 2.992 ( 1.936 -0.672 1.930) 2.815 3.017 ( 7.597 -1.806 -2.872) 8.320 3.148 ( -10.857 1.624 3.302) 11.464 3.234 ( -0.386 -1.772 5.544) 5.833 4.033 ( 9.120 -1.119 -11.332) 14.589 4.364 ( 10.938 1.424 -4.299) 11.838 5.052 ( -6.407 0.817 4.648) 7.957 5.158 ( -4.827 -2.455 -0.570) 5.445 5.628 ( -7.637 2.472 8.255) 11.515 5.909 ( -4.093 -1.437 2.724) 5.123 6.690 ( -7.249 1.296 1.112) 7.447 6.759 ( -3.494 -7.279 4.369) 9.180 7.942 ( 11.694 -3.134 16.543) 20.500 8.029 ( 11.956 -0.212 -6.379) 13.553 9.064 ( -25.068 -1.476 26.870) 36.778 9.369 ( -14.996 -1.351 22.350) 26.949 10.018 ( 9.507 -0.199 10.074) 13.853 10.832 ( -15.510 -0.549 -20.439) 25.664 11.123 ( -5.450 2.926 -1.054) 6.275 11.818 ( 19.151 0.095 -9.645) 21.443 12.201 ( -3.476 13.035 1.199) 13.544 12.604 ( 6.787 -2.270 -9.103) 11.579 13.525 ( -8.880 1.696 9.634) 13.212 14.009 ( -8.878 0.225 0.032) 8.881 14.028 ( -3.959 -5.616 -4.915) 8.448 14.665 ( 14.502 1.825 7.111) 16.255 18.032 ( -16.565 0.247 -19.765) 25.790 18.464 ( 13.238 -0.105 0.434) 13.245 19.067 ( 6.889 -1.886 12.172) 14.113 19.781 ( 7.130 -0.089 -6.889) 9.915 21.190 ( -18.071 1.375 -10.419) 20.905 22.555 ( 30.761 1.212 4.871) 31.168 23.951 ( -6.762 0.892 -0.437) 6.835 24.205 ( -2.133 -0.955 0.138) 2.341 ======================= Grid point 579 (288/432) ======================= q-point: (-0.27 -0.45 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( -12.757 4.981 7.446) 15.588 2.862 ( -14.235 -9.369 3.245) 17.348 2.973 ( 5.676 4.238 -2.513) 7.516 3.129 ( 14.100 0.154 -1.210) 14.153 3.169 ( 6.416 -0.601 1.586) 6.637 3.362 ( 10.057 0.997 6.343) 11.932 4.058 ( 10.660 -2.239 -10.128) 14.874 4.376 ( 1.318 2.916 -5.092) 6.014 4.970 ( -11.011 -0.799 1.441) 11.134 5.103 ( -4.113 -2.271 -1.082) 4.821 5.570 ( -8.812 3.940 5.578) 11.148 5.889 ( -5.406 -1.701 2.238) 6.093 6.497 ( -14.049 -0.455 -3.233) 14.424 6.931 ( 3.858 -10.033 6.965) 12.808 8.084 ( 10.340 2.309 -8.109) 13.342 8.337 ( 13.518 -7.710 13.008) 20.283 9.069 ( -19.666 -3.432 22.612) 30.164 9.459 ( -15.443 -3.704 24.931) 29.560 10.222 ( 5.531 3.981 6.407) 9.353 10.447 ( -12.425 -6.987 -15.330) 20.933 10.892 ( -12.316 9.470 -6.907) 17.002 11.941 ( 16.984 -0.812 -13.429) 21.667 12.036 ( -5.344 17.873 3.795) 19.037 12.700 ( 14.091 -1.321 -1.733) 14.258 13.499 ( -11.233 -0.373 10.782) 15.575 13.924 ( -2.809 2.289 1.375) 3.876 13.999 ( -4.154 -7.924 -2.141) 9.199 14.897 ( 13.932 3.875 4.870) 15.259 17.560 ( -18.723 -0.123 -20.699) 27.911 18.678 ( 13.573 -0.320 5.310) 14.578 19.292 ( 6.313 1.461 9.781) 11.733 19.817 ( 8.103 -0.442 -5.281) 9.682 20.804 ( -15.777 0.342 -15.570) 22.168 22.974 ( 27.538 2.600 3.743) 27.912 23.860 ( -5.546 3.702 1.526) 6.840 24.218 ( -1.412 -4.025 3.264) 5.371 ======================= Grid point 580 (289/432) ======================= q-point: (-0.18 -0.45 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( -17.470 1.547 9.896) 20.138 2.708 ( -20.537 -9.296 0.900) 22.561 2.997 ( 6.095 3.622 -3.542) 7.925 3.212 ( 4.358 1.997 0.871) 4.872 3.362 ( 16.589 3.487 0.771) 16.969 3.603 ( 15.395 -0.715 4.969) 16.193 4.122 ( 11.957 -1.391 -7.497) 14.181 4.248 ( -9.549 1.624 -3.318) 10.239 4.821 ( -14.023 -1.053 0.468) 14.070 5.069 ( -0.940 -0.768 -1.723) 2.108 5.460 ( -8.737 4.419 1.650) 9.929 5.843 ( -5.114 -1.659 -0.377) 5.390 6.288 ( -15.195 -1.256 -0.083) 15.247 7.159 ( 5.407 -11.378 5.706) 13.830 8.078 ( 8.828 5.081 -9.165) 13.702 8.669 ( 4.964 -9.577 8.874) 13.968 9.106 ( -14.898 -4.753 17.022) 23.115 9.559 ( -15.282 -5.068 20.489) 26.058 10.085 ( -6.831 -6.803 -12.177) 15.532 10.404 ( -9.781 12.020 6.875) 16.953 10.601 ( 1.321 3.392 -5.989) 7.009 11.856 ( -5.890 16.831 3.716) 18.215 11.989 ( 14.971 -2.856 -16.733) 22.633 12.907 ( 13.584 -1.311 1.132) 13.694 13.485 ( -12.398 -1.955 12.541) 17.743 13.918 ( 2.857 3.892 1.609) 5.090 14.001 ( -3.263 -6.794 0.138) 7.538 15.071 ( 13.927 6.942 1.292) 15.615 17.114 ( -18.737 -0.973 -13.802) 23.292 18.935 ( 13.502 -0.784 7.510) 15.469 19.401 ( 5.431 8.342 2.524) 10.269 19.848 ( 1.114 1.229 -1.498) 2.235 20.482 ( -6.050 -6.335 -17.078) 19.193 23.311 ( 22.247 3.524 2.424) 22.654 23.761 ( -5.012 7.193 0.761) 8.800 24.318 ( 0.451 -6.524 7.521) 9.967 ======================= Grid point 581 (290/432) ======================= q-point: (-0.09 -0.45 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -19.641 -1.905 10.880) 22.533 2.496 ( -20.477 -6.441 -3.154) 21.697 3.010 ( 4.350 0.007 -2.363) 4.950 3.277 ( 6.370 4.146 2.455) 7.987 3.496 ( 7.728 3.412 -0.366) 8.455 3.847 ( 8.330 2.022 6.046) 10.489 4.073 ( -9.254 -2.613 -0.490) 9.628 4.223 ( 12.606 1.555 -4.107) 13.349 4.638 ( -14.803 0.441 0.638) 14.823 5.044 ( 0.970 1.314 -2.566) 3.042 5.302 ( -8.438 4.583 -2.859) 10.019 5.785 ( -2.652 -2.876 -3.602) 5.318 6.138 ( -13.687 -2.178 5.482) 14.904 7.364 ( 3.312 -8.051 4.611) 9.852 8.041 ( 7.567 5.581 -8.183) 12.464 8.777 ( -8.031 -6.204 2.018) 10.347 9.100 ( -17.862 -3.250 12.893) 22.268 9.608 ( -8.978 -7.266 9.818) 15.159 9.989 ( -8.394 8.045 -3.229) 12.067 10.138 ( -4.342 1.282 0.631) 4.571 10.722 ( 8.141 -3.278 5.036) 10.119 11.692 ( -4.690 12.111 1.338) 13.056 12.028 ( 15.192 -5.956 -17.578) 23.985 13.044 ( 4.496 -1.250 -1.408) 4.875 13.486 ( -11.786 -2.687 12.357) 17.287 13.939 ( 2.569 4.102 -1.319) 5.016 14.046 ( 2.348 -4.261 2.805) 5.616 15.168 ( 13.995 11.343 -3.089) 18.278 16.815 ( -15.612 -1.187 0.818) 15.679 19.201 ( 12.707 -1.140 4.681) 13.590 19.341 ( 1.908 11.945 -3.532) 12.601 19.808 ( -1.132 1.056 -0.266) 1.571 20.388 ( 3.526 -10.474 -12.336) 16.563 23.510 ( 1.160 16.745 10.153) 19.617 23.658 ( 8.274 -3.770 -9.954) 13.482 24.493 ( 2.398 -5.670 9.967) 11.715 ======================= Grid point 589 (291/432) ======================= q-point: (-0.36 -0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( -15.152 0.000 6.942) 16.666 2.758 ( -13.996 0.000 4.376) 14.664 3.056 ( 10.846 -0.000 -8.429) 13.737 3.064 ( 5.299 -0.000 0.435) 5.316 3.184 ( 13.238 -0.000 7.166) 15.053 3.376 ( 9.407 -0.000 4.752) 10.539 4.036 ( 11.036 -0.000 -10.353) 15.132 4.397 ( -0.892 0.000 -3.986) 4.084 4.971 ( -10.709 0.000 0.825) 10.741 5.076 ( -2.844 0.000 -1.410) 3.175 5.605 ( -8.712 0.000 4.863) 9.977 5.874 ( -5.728 0.000 3.362) 6.641 6.495 ( -13.996 0.000 -3.897) 14.529 6.840 ( 4.520 -0.000 6.908) 8.255 8.110 ( 11.678 -0.000 -7.001) 13.616 8.265 ( 14.431 -0.000 10.790) 18.019 9.039 ( -20.834 0.000 23.381) 31.316 9.429 ( -16.385 0.000 26.049) 30.773 10.265 ( 9.899 -0.000 10.659) 14.546 10.378 ( -16.487 0.000 -20.384) 26.217 10.974 ( -11.300 0.000 -6.329) 12.951 11.933 ( 16.243 -0.000 -13.679) 21.235 12.219 ( -7.630 0.000 3.425) 8.364 12.659 ( 12.980 -0.000 -1.514) 13.068 13.515 ( -9.585 0.000 10.226) 14.015 13.912 ( -4.766 0.000 -1.625) 5.036 13.943 ( -2.645 0.000 1.796) 3.197 14.930 ( 13.879 -0.000 5.387) 14.888 17.559 ( -18.836 0.000 -21.058) 28.253 18.675 ( 13.392 -0.000 5.439) 14.454 19.304 ( 7.369 -0.000 12.578) 14.578 19.813 ( 8.915 -0.000 -6.286) 10.908 20.809 ( -16.105 0.000 -17.612) 23.866 22.994 ( 28.846 -0.000 1.593) 28.890 23.900 ( -5.067 0.000 4.695) 6.908 24.178 ( -3.071 0.000 2.277) 3.824 ======================= Grid point 590 (292/432) ======================= q-point: (-0.27 -0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -18.564 4.118 9.592) 21.297 2.555 ( -23.158 -7.650 3.236) 24.603 3.063 ( 5.600 3.278 -5.621) 8.585 3.210 ( 8.062 -1.481 2.254) 8.501 3.425 ( 15.628 2.956 1.291) 15.958 3.593 ( 16.995 -0.520 2.715) 17.218 4.100 ( 13.613 -0.697 -7.282) 15.454 4.258 ( -14.586 -0.156 -0.648) 14.601 4.808 ( -13.859 -0.417 -0.342) 13.869 5.059 ( 2.290 -0.292 -2.346) 3.292 5.513 ( -8.640 1.650 0.356) 8.803 5.826 ( -6.125 -0.470 1.464) 6.315 6.273 ( -15.157 -0.456 -0.823) 15.187 7.007 ( 7.276 -5.315 4.590) 10.112 8.163 ( 10.341 3.794 -6.709) 12.897 8.535 ( 8.131 -5.222 5.402) 11.071 9.044 ( -15.892 -2.147 18.439) 24.437 9.508 ( -17.644 -1.334 24.673) 30.362 9.982 ( -10.434 -3.634 -17.465) 20.666 10.507 ( 7.121 1.959 12.379) 14.415 10.711 ( -10.610 5.413 -9.216) 15.060 11.946 ( 12.913 -1.020 -17.364) 21.663 12.094 ( -10.555 8.428 3.808) 14.033 12.856 ( 12.386 -3.197 0.981) 12.830 13.513 ( -8.162 3.594 12.043) 14.986 13.872 ( -5.175 -6.543 1.436) 8.465 13.963 ( 2.856 1.370 1.565) 3.532 15.151 ( 14.371 2.448 2.545) 14.798 17.102 ( -18.986 -0.379 -14.238) 23.735 18.926 ( 13.350 -0.269 7.199) 15.170 19.508 ( 6.015 3.699 9.392) 11.750 19.858 ( 4.406 0.117 -2.955) 5.306 20.407 ( -8.581 -2.377 -23.426) 25.061 23.328 ( 24.584 -0.186 -5.254) 25.139 23.910 ( -3.023 7.905 10.303) 13.333 24.201 ( -2.797 -6.235 5.985) 9.084 ======================= Grid point 591 (293/432) ======================= q-point: (-0.18 -0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -22.911 0.165 9.251) 24.709 2.369 ( -21.852 -7.626 2.275) 23.256 3.031 ( 1.572 1.821 -3.127) 3.945 3.330 ( 6.912 1.827 1.764) 7.363 3.552 ( 9.128 3.202 -2.432) 9.974 3.871 ( 18.367 0.757 3.613) 18.734 4.031 ( -21.889 -1.089 6.381) 22.826 4.255 ( 17.265 0.862 -4.882) 17.963 4.625 ( -14.174 -1.424 -0.106) 14.246 5.063 ( 3.156 1.091 -3.236) 4.650 5.360 ( -7.797 2.199 -5.364) 9.716 5.755 ( -4.874 -0.847 -1.689) 5.227 6.108 ( -13.967 -1.336 5.158) 14.949 7.208 ( 7.253 -8.563 2.969) 11.608 8.169 ( 9.411 8.485 -5.988) 14.015 8.654 ( -4.360 -7.800 0.631) 8.958 9.047 ( -15.078 -2.733 12.674) 19.886 9.501 ( -16.847 -4.875 13.938) 22.402 9.868 ( 2.879 -9.040 -4.974) 10.712 10.364 ( -14.623 13.459 -3.491) 20.178 10.737 ( 9.857 2.384 7.380) 12.542 11.885 ( -4.546 7.437 -3.532) 9.405 11.958 ( 7.067 -0.633 -11.899) 13.854 13.003 ( 4.485 -2.725 -0.606) 5.283 13.497 ( -8.219 3.676 9.631) 13.185 13.903 ( -3.389 -8.559 0.767) 9.237 14.019 ( 5.521 1.975 1.338) 6.014 15.317 ( 15.187 6.143 -1.651) 16.466 16.798 ( -15.582 -0.804 2.085) 15.741 19.181 ( 13.262 -0.931 5.023) 14.212 19.554 ( -0.195 12.367 -0.613) 12.383 19.811 ( -5.119 -0.878 -0.154) 5.196 20.216 ( 8.469 -9.304 -18.015) 21.974 23.536 ( 18.569 -3.677 -9.817) 21.324 23.866 ( -4.732 18.311 9.618) 21.218 24.362 ( 1.074 -10.089 10.666) 14.721 ======================= Grid point 592 (294/432) ======================= q-point: (-0.09 -0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -22.642 -5.101 10.746) 25.576 2.125 ( -23.447 -6.067 -1.812) 24.287 3.035 ( 2.170 -0.477 0.934) 2.410 3.401 ( 6.433 1.529 -1.749) 6.840 3.584 ( 2.207 3.307 0.395) 3.996 3.786 ( -26.022 2.587 11.036) 28.384 4.169 ( 14.789 -0.478 2.782) 15.056 4.373 ( 5.436 2.948 0.321) 6.193 4.494 ( -1.307 1.658 -1.883) 2.829 5.054 ( 2.777 1.467 -3.000) 4.343 5.160 ( -7.270 1.595 -8.626) 11.393 5.693 ( -0.618 -2.471 -4.388) 5.074 6.059 ( -9.975 -1.907 11.559) 15.387 7.380 ( 3.404 -7.514 1.875) 8.460 8.124 ( 5.904 10.453 -6.977) 13.886 8.600 ( -7.496 -5.552 -2.518) 9.662 8.971 ( -21.132 -1.636 14.389) 25.618 9.558 ( -5.271 -8.396 10.324) 14.313 9.902 ( -3.987 4.043 -5.967) 8.237 10.116 ( -1.419 -1.920 0.443) 2.428 10.912 ( 7.060 3.771 8.023) 11.333 11.676 ( -10.028 9.192 -2.261) 13.791 11.970 ( 13.385 -6.001 -16.735) 22.254 12.999 ( -5.192 -1.356 -1.035) 5.465 13.461 ( -7.934 -0.831 5.367) 9.614 13.885 ( -3.494 -3.504 -5.549) 7.434 14.119 ( 6.046 -1.970 2.399) 6.796 15.404 ( 14.996 10.246 -5.902) 19.097 16.784 ( -6.672 1.543 21.580) 22.641 19.227 ( -1.010 4.567 -16.256) 16.916 19.500 ( 7.929 2.879 7.942) 11.586 19.830 ( 4.534 -0.645 0.918) 4.671 20.257 ( 7.300 -8.212 -10.217) 15.004 23.628 ( 0.138 8.659 -4.880) 9.941 23.745 ( 4.979 8.756 2.080) 10.285 24.580 ( 1.845 -8.025 8.970) 12.176 ======================= Grid point 601 (295/432) ======================= q-point: (-0.27 -0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -25.714 0.000 4.057) 26.032 2.286 ( -20.687 0.000 8.411) 22.332 3.049 ( -0.179 0.000 -3.124) 3.130 3.342 ( 7.808 -0.000 1.241) 7.906 3.585 ( 8.987 -0.000 -3.485) 9.639 3.871 ( 21.632 -0.000 1.578) 21.689 4.034 ( -24.041 0.000 9.085) 25.700 4.254 ( 16.418 -0.000 -2.292) 16.577 4.611 ( -12.486 0.000 -1.820) 12.617 5.074 ( 3.690 -0.000 -3.330) 4.970 5.378 ( -7.688 0.000 -6.515) 10.077 5.750 ( -5.706 0.000 -0.838) 5.767 6.097 ( -14.079 0.000 5.052) 14.958 7.129 ( 8.613 -0.000 2.081) 8.861 8.263 ( 10.242 -0.000 -2.767) 10.609 8.567 ( -2.494 0.000 -2.593) 3.598 9.021 ( -14.788 0.000 13.938) 20.321 9.458 ( -20.186 0.000 13.051) 24.037 9.791 ( 2.621 -0.000 -3.395) 4.289 10.481 ( -12.958 0.000 -6.917) 14.689 10.763 ( 9.537 -0.000 9.608) 13.538 11.902 ( 12.210 -0.000 -18.024) 21.770 12.002 ( -13.184 0.000 3.078) 13.539 12.978 ( 6.564 -0.000 0.016) 6.564 13.556 ( -6.762 0.000 6.325) 9.259 13.796 ( -5.781 0.000 3.690) 6.858 14.039 ( 5.658 -0.000 0.434) 5.675 15.369 ( 15.609 -0.000 -1.124) 15.650 16.790 ( -15.596 0.000 2.567) 15.806 19.173 ( 13.251 -0.000 4.749) 14.076 19.698 ( 3.912 -0.000 8.443) 9.305 19.779 ( -14.826 0.000 -3.789) 15.303 20.123 ( 13.835 -0.000 -24.168) 27.848 23.503 ( 18.237 -0.000 -10.973) 21.284 24.128 ( 3.599 -0.000 14.844) 15.274 24.172 ( -5.630 0.000 6.827) 8.849 ======================= Grid point 602 (296/432) ======================= q-point: (-0.18 -0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -24.539 -3.180 7.368) 25.818 2.051 ( -25.502 -2.222 1.829) 25.664 3.037 ( -1.424 0.310 4.501) 4.731 3.415 ( 7.156 0.314 -5.559) 9.066 3.625 ( 2.994 1.447 -1.049) 3.487 3.821 ( -27.410 1.058 14.526) 31.040 4.192 ( 20.120 2.751 3.820) 20.664 4.351 ( -7.484 -3.596 3.680) 9.082 4.545 ( 13.345 2.710 -5.616) 14.729 5.069 ( 0.909 0.388 -2.390) 2.586 5.170 ( -6.168 0.043 -12.911) 14.309 5.669 ( -2.744 -0.588 -3.045) 4.140 6.037 ( -10.002 -0.689 12.061) 15.683 7.266 ( 7.120 -4.424 -0.260) 8.386 8.312 ( 4.121 11.273 -5.517) 13.210 8.482 ( -1.510 -8.626 -3.641) 9.484 8.951 ( -20.621 -0.626 14.963) 25.485 9.428 ( -7.973 -5.239 12.412) 15.655 9.844 ( 4.318 -3.536 -1.932) 5.906 10.213 ( -11.229 5.467 -6.886) 14.261 10.967 ( 6.832 2.028 8.635) 11.196 11.819 ( -9.962 6.060 -2.045) 11.838 11.893 ( 9.707 -3.314 -14.051) 17.397 13.003 ( -1.468 1.466 -1.239) 2.416 13.449 ( -9.975 -0.738 -3.383) 10.558 13.788 ( -5.729 -4.983 2.079) 7.872 14.117 ( 6.404 0.529 0.052) 6.426 15.522 ( 15.648 3.595 -6.098) 17.175 16.803 ( -5.119 0.614 24.708) 25.240 19.262 ( 0.523 0.454 -16.253) 16.268 19.576 ( 0.008 4.155 6.898) 8.052 19.817 ( 1.823 -0.794 4.513) 4.932 20.142 ( 14.386 -4.345 -14.457) 20.853 23.607 ( 15.262 -1.888 -10.193) 18.450 24.065 ( -5.971 18.908 7.677) 21.262 24.397 ( 1.501 -13.171 8.263) 15.621 ======================= Grid point 603 (297/432) ======================= q-point: (-0.09 -0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -25.272 -4.829 3.339) 25.944 1.813 ( -20.852 -8.392 11.132) 25.083 3.105 ( 2.668 1.087 5.757) 6.438 3.430 ( 4.302 -1.220 -4.256) 6.173 3.579 ( -19.573 3.539 6.823) 21.028 3.619 ( -12.426 1.361 5.776) 13.770 4.224 ( -10.030 1.345 7.027) 12.320 4.527 ( 14.364 3.456 -3.548) 15.194 4.620 ( 12.850 4.649 0.427) 13.672 4.950 ( -6.828 -3.146 -9.914) 12.441 5.075 ( 4.296 0.601 -2.418) 4.966 5.649 ( 4.401 -2.089 -3.439) 5.964 6.107 ( -5.487 -0.639 16.811) 17.695 7.367 ( 2.603 -5.803 -1.345) 6.501 8.102 ( -2.684 5.130 -14.302) 15.429 8.579 ( 3.070 4.198 7.585) 9.197 8.858 ( -21.234 -1.773 18.375) 28.136 9.573 ( -1.494 -7.373 12.165) 14.303 9.822 ( -2.901 5.166 -6.980) 9.155 10.051 ( -0.120 -7.564 -3.358) 8.277 11.096 ( 2.959 3.529 5.074) 6.852 11.531 ( -17.089 7.575 -5.406) 19.459 11.924 ( 13.852 -3.700 -14.484) 20.380 12.901 ( -8.511 1.958 0.091) 8.734 13.310 ( -9.743 -9.419 -4.235) 14.198 13.751 ( -6.019 -2.055 0.441) 6.375 14.202 ( 5.819 -0.751 0.290) 5.874 15.572 ( 13.462 7.081 -11.336) 18.970 17.155 ( 8.428 5.623 34.876) 36.318 18.985 ( -2.512 -1.071 -21.937) 22.106 19.699 ( 4.052 5.491 4.874) 8.386 19.926 ( 7.395 -4.400 5.174) 10.041 20.192 ( 9.236 -4.158 -11.521) 15.340 23.674 ( 5.421 8.279 -5.988) 11.566 23.871 ( -3.542 14.523 1.369) 15.012 24.558 ( -3.056 -13.128 2.010) 13.628 ======================= Grid point 613 (298/432) ======================= q-point: (-0.18 -0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -26.766 0.000 3.421) 26.984 1.733 ( -22.055 0.000 10.807) 24.560 3.118 ( 0.310 -0.000 10.399) 10.404 3.418 ( 8.462 -0.000 -10.529) 13.508 3.616 ( -4.185 0.000 -1.768) 4.543 3.626 ( -32.106 0.000 18.133) 36.872 4.232 ( -10.000 0.000 6.960) 12.184 4.551 ( 21.311 -0.000 3.665) 21.624 4.682 ( 11.619 -0.000 -7.470) 13.813 4.907 ( -9.140 0.000 -10.757) 14.116 5.080 ( 4.288 -0.000 -3.275) 5.395 5.631 ( 3.457 -0.000 -2.668) 4.367 6.102 ( -5.267 0.000 17.478) 18.255 7.309 ( 5.043 -0.000 -3.229) 5.988 8.145 ( -5.761 0.000 -15.867) 16.880 8.627 ( 12.433 -0.000 9.057) 15.382 8.840 ( -24.883 0.000 19.249) 31.459 9.493 ( -1.979 0.000 14.103) 14.241 9.842 ( 3.245 -0.000 -5.258) 6.179 10.017 ( -8.408 0.000 -7.491) 11.261 11.116 ( 2.833 -0.000 4.680) 5.470 11.619 ( -19.911 0.000 -4.794) 20.480 11.893 ( 15.094 -0.000 -13.218) 20.064 12.954 ( -5.404 0.000 -1.913) 5.732 13.184 ( -14.408 0.000 -6.420) 15.774 13.733 ( -5.957 0.000 3.621) 6.971 14.199 ( 6.183 -0.000 -0.584) 6.210 15.632 ( 13.729 -0.000 -11.768) 18.082 17.206 ( 10.745 -0.000 36.402) 37.955 18.972 ( -4.315 0.000 -23.268) 23.665 19.785 ( 8.189 -0.000 11.438) 14.067 19.852 ( -1.921 0.000 1.822) 2.648 20.155 ( 14.293 -0.000 -13.984) 19.996 23.694 ( 15.006 -0.000 -8.578) 17.285 24.161 ( -9.058 0.000 8.750) 12.595 24.335 ( -4.597 0.000 -4.108) 6.165 ======================= Grid point 614 (299/432) ======================= q-point: (-0.09 -0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -15.873 -3.443 14.592) 21.834 1.649 ( -16.657 -5.906 15.670) 23.620 3.233 ( 6.074 3.394 -1.010) 7.031 3.391 ( -33.603 2.757 24.607) 41.740 3.429 ( 3.407 -1.941 -4.365) 5.868 3.493 ( -4.752 -2.017 -6.507) 8.306 4.235 ( -5.102 1.278 10.252) 11.522 4.550 ( -1.086 8.796 -14.362) 16.876 4.711 ( -1.487 -6.988 -11.404) 13.457 4.893 ( 8.132 0.776 9.891) 12.829 5.158 ( 11.447 0.036 0.309) 11.452 5.711 ( 10.412 -0.795 -0.836) 10.476 6.280 ( -1.484 0.761 21.832) 21.896 7.321 ( 1.132 -3.331 -4.318) 5.570 7.911 ( -2.008 0.822 -15.492) 15.643 8.719 ( -22.588 5.676 22.146) 32.138 8.913 ( 6.924 1.366 15.566) 17.091 9.660 ( -1.539 -4.668 12.634) 13.556 9.765 ( -0.207 7.355 -6.794) 10.015 9.928 ( 2.578 -11.428 -5.049) 12.756 11.109 ( -15.576 9.061 -3.937) 18.445 11.236 ( -13.932 -5.789 -4.299) 15.688 11.955 ( 14.253 0.092 -11.786) 18.495 12.816 ( -8.830 3.594 0.160) 9.535 13.058 ( -9.490 -10.422 2.514) 14.318 13.693 ( -5.162 -0.082 2.356) 5.674 14.263 ( 4.618 -0.264 -1.016) 4.736 15.612 ( 9.957 3.498 -16.709) 19.763 17.806 ( 22.780 6.673 31.166) 39.176 18.697 ( 1.047 -3.864 -22.541) 22.893 19.761 ( -4.716 6.760 -2.839) 8.717 20.001 ( -1.015 -7.799 4.725) 9.175 20.242 ( 21.123 -0.008 -6.912) 22.225 23.753 ( 1.393 12.793 -6.398) 14.371 23.922 ( -5.574 14.296 -4.140) 15.893 24.301 ( -11.975 -21.341 -1.813) 24.538 ======================= Grid point 625 (300/432) ======================= q-point: (-0.09 -0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -2.098 0.000 22.405) 22.503 1.651 ( -10.159 0.000 20.646) 23.010 3.137 ( -16.871 0.000 6.660) 18.138 3.275 ( -10.472 0.000 -4.947) 11.581 3.476 ( 12.659 -0.000 -9.825) 16.024 3.478 ( -3.202 0.000 19.179) 19.444 4.302 ( -4.787 0.000 9.169) 10.343 4.351 ( -8.076 0.000 -14.393) 16.504 4.536 ( -0.344 0.000 -10.747) 10.752 5.049 ( 0.814 -0.000 8.211) 8.252 5.372 ( 15.588 -0.000 2.295) 15.756 5.864 ( 11.813 -0.000 1.183) 11.872 6.568 ( 2.323 -0.000 26.931) 27.031 7.247 ( -1.289 0.000 -5.950) 6.088 7.744 ( -0.734 0.000 -10.625) 10.650 8.710 ( -25.514 0.000 30.616) 39.854 9.233 ( 10.481 -0.000 14.682) 18.039 9.609 ( -7.838 0.000 -1.857) 8.054 9.807 ( 2.538 -0.000 -2.609) 3.640 9.933 ( 6.799 -0.000 6.128) 9.153 10.737 ( -27.596 0.000 -1.043) 27.616 11.100 ( -2.844 0.000 -5.127) 5.863 11.982 ( 10.350 -0.000 -13.980) 17.394 12.706 ( -9.167 0.000 -0.661) 9.191 13.011 ( -4.616 0.000 11.646) 12.528 13.657 ( -2.956 0.000 1.192) 3.187 14.293 ( 2.303 -0.000 -1.706) 2.866 15.521 ( 5.784 -0.000 -20.011) 20.830 18.460 ( 4.756 -0.000 -21.336) 21.860 18.490 ( 30.478 -0.000 19.008) 35.920 19.625 ( -9.583 0.000 -9.181) 13.271 19.920 ( -5.400 0.000 -3.285) 6.320 20.535 ( 24.150 -0.000 3.242) 24.367 23.496 ( -34.843 0.000 -14.495) 37.738 23.939 ( 12.120 -0.000 -6.582) 13.792 24.075 ( -10.774 0.000 6.805) 12.744 ======================= Grid point 626 (301/432) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -0.277 0.000 12.419) 12.422 2.491 ( 0.908 -0.000 15.853) 15.879 2.946 ( -0.618 0.000 0.727) 0.954 3.217 ( 7.658 -0.000 -8.366) 11.342 3.363 ( 8.355 -0.000 -8.066) 11.613 3.528 ( -6.959 0.000 -4.364) 8.214 3.807 ( -9.260 0.000 -6.957) 11.582 3.885 ( 0.096 -0.000 -2.061) 2.063 4.924 ( 4.926 -0.000 10.005) 11.152 5.254 ( -1.413 0.000 1.335) 1.944 5.692 ( -3.233 0.000 7.074) 7.778 6.126 ( 5.081 -0.000 -2.151) 5.517 6.990 ( -8.002 0.000 1.488) 8.139 7.318 ( 5.380 -0.000 -2.672) 6.007 8.430 ( 5.962 -0.000 33.258) 33.788 9.296 ( -19.154 0.000 17.494) 25.941 9.616 ( -8.858 0.000 12.638) 15.433 9.736 ( 4.883 -0.000 -9.478) 10.662 9.890 ( 4.877 -0.000 -0.973) 4.973 10.076 ( -11.922 0.000 22.703) 25.643 10.590 ( -5.531 0.000 -11.839) 13.067 11.254 ( 20.627 -0.000 15.951) 26.075 11.413 ( 11.756 -0.000 -18.957) 22.307 12.208 ( -16.176 0.000 -11.335) 19.752 13.458 ( -2.203 0.000 8.835) 9.105 13.682 ( 5.568 -0.000 -1.237) 5.704 14.245 ( -3.405 0.000 1.904) 3.902 14.792 ( 1.600 -0.000 -14.869) 14.955 18.063 ( 16.156 -0.000 -7.064) 17.633 18.538 ( -18.133 0.000 -18.368) 25.811 19.467 ( 17.512 -0.000 -0.019) 17.512 19.533 ( -10.470 0.000 -2.696) 10.811 21.548 ( 26.149 -0.000 10.964) 28.355 22.119 ( -35.615 0.000 -5.734) 36.074 23.961 ( -10.165 0.000 1.406) 10.261 24.055 ( 12.104 -0.000 -3.243) 12.531 ======================= Grid point 627 (302/432) ======================= q-point: ( 0.09 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 3.288 1.900 9.865) 10.571 2.628 ( 1.035 -1.743 5.541) 5.901 3.008 ( 4.530 0.852 4.251) 6.270 3.104 ( -2.011 1.877 -11.051) 11.389 3.365 ( 2.693 4.573 -2.801) 6.001 3.518 ( 3.743 -6.869 -3.085) 8.409 3.642 ( -7.056 -0.656 -3.117) 7.742 3.881 ( 4.299 -2.041 -2.965) 5.607 5.080 ( 2.996 -0.107 7.533) 8.107 5.231 ( -1.719 -0.987 -3.123) 3.699 5.695 ( -9.290 0.514 8.555) 12.640 6.121 ( 0.665 1.121 -4.021) 4.227 6.895 ( -11.025 -0.055 3.425) 11.545 7.324 ( 1.537 0.102 -3.151) 3.508 8.783 ( -2.559 8.636 25.713) 27.245 9.152 ( -12.161 20.510 9.077) 25.514 9.519 ( -10.858 -3.644 5.727) 12.806 9.726 ( -14.095 -17.374 5.604) 23.064 10.061 ( 12.473 0.534 3.701) 13.021 10.319 ( 4.524 -4.598 13.631) 15.081 10.355 ( -5.259 -1.479 -8.900) 10.443 11.398 ( 14.613 -0.268 -16.819) 22.283 11.742 ( 22.030 -1.265 15.481) 26.955 11.863 ( -7.738 2.596 -14.718) 16.830 13.519 ( -3.123 -3.350 5.743) 7.346 13.754 ( 5.085 -4.048 -2.089) 6.827 14.218 ( -5.419 1.157 4.158) 6.927 14.650 ( 0.919 1.647 -11.535) 11.688 18.091 ( -18.771 0.121 -16.980) 25.312 18.249 ( 17.535 -0.111 0.273) 17.537 19.361 ( -10.465 0.592 -2.351) 10.743 19.650 ( 11.842 0.332 -1.936) 12.004 21.609 ( -29.831 2.638 -5.146) 30.386 22.023 ( 24.242 -1.626 12.411) 27.283 23.855 ( -7.839 -1.190 -0.350) 7.937 24.179 ( 10.932 -0.189 -1.807) 11.082 ======================= Grid point 628 (303/432) ======================= q-point: ( 0.18 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( -0.958 4.138 2.103) 4.739 2.755 ( 7.169 -5.217 3.266) 9.449 2.953 ( -1.960 0.175 -6.591) 6.879 3.094 ( 3.749 1.982 -0.453) 4.265 3.331 ( -0.745 5.892 2.524) 6.453 3.554 ( -0.851 -4.362 -1.347) 4.643 3.588 ( 3.419 -2.264 -3.188) 5.194 3.999 ( 9.112 -5.464 1.270) 10.701 5.133 ( -4.098 -0.467 -4.976) 6.463 5.171 ( -2.543 -1.004 2.964) 4.032 5.634 ( -13.281 0.581 7.771) 15.399 6.048 ( -0.940 1.928 -5.858) 6.239 6.766 ( -14.544 1.171 4.140) 15.167 7.315 ( 1.402 -1.498 -2.126) 2.955 8.626 ( -13.774 22.216 -0.451) 26.144 9.081 ( -1.450 9.585 10.796) 14.509 9.526 ( -14.632 -14.299 9.012) 22.356 9.780 ( -10.774 -4.135 16.222) 19.909 10.094 ( -8.356 -3.758 -12.999) 15.904 10.239 ( 3.654 1.983 8.483) 9.447 10.716 ( 15.655 -8.054 11.192) 20.862 11.320 ( -0.662 3.020 -13.965) 14.303 11.658 ( 16.128 4.220 -18.038) 24.561 12.258 ( 23.938 -1.385 14.225) 27.880 13.571 ( -2.411 -6.027 3.679) 7.461 13.820 ( 1.956 -7.552 -3.770) 8.664 14.171 ( -7.783 3.330 6.195) 10.490 14.548 ( 2.505 0.083 -8.175) 8.551 17.672 ( -18.833 0.064 -12.925) 22.842 18.524 ( 17.729 -0.154 6.577) 18.910 19.199 ( -8.790 -0.280 -3.344) 9.408 19.739 ( 5.597 0.319 -1.603) 5.831 21.179 ( -21.797 3.440 -6.246) 22.934 22.488 ( 20.694 -2.638 13.954) 25.098 23.764 ( -4.758 -0.760 -2.654) 5.501 24.304 ( 9.426 -0.085 0.012) 9.427 ======================= Grid point 629 (304/432) ======================= q-point: (-0.73 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -4.590 -0.867 1.070) 4.792 2.795 ( -3.910 -4.963 -9.234) 11.189 3.000 ( 6.812 -0.423 4.401) 8.121 3.077 ( 2.688 2.619 -2.616) 4.574 3.307 ( 0.370 4.138 3.577) 5.482 3.585 ( 3.175 -4.411 -3.077) 6.245 3.689 ( 10.124 1.071 3.312) 10.705 4.190 ( 8.144 -5.454 2.854) 10.208 4.970 ( -9.855 -0.827 -6.246) 11.697 5.149 ( -7.795 -1.271 2.218) 8.204 5.514 ( -14.562 0.276 4.252) 15.173 5.942 ( -0.311 2.730 -7.815) 8.284 6.598 ( -15.775 2.434 5.049) 16.742 7.339 ( 2.037 -3.216 -1.568) 4.118 8.265 ( -7.484 17.446 -6.433) 20.044 9.067 ( -4.514 4.488 3.977) 7.505 9.531 ( -17.291 -11.472 8.517) 22.430 9.815 ( -8.643 -2.624 4.009) 9.882 9.952 ( -8.273 -2.307 5.563) 10.233 10.289 ( -5.661 0.978 5.108) 7.687 11.019 ( 13.284 11.743 -2.338) 17.884 11.199 ( 4.282 -6.759 2.469) 8.373 11.700 ( 24.173 2.679 -20.690) 31.931 12.684 ( 19.234 0.551 8.632) 21.089 13.653 ( 1.631 -6.573 1.721) 6.988 13.845 ( -1.737 -7.919 -1.456) 8.237 14.099 ( -9.568 4.596 7.293) 12.879 14.549 ( 5.601 -6.028 -5.588) 9.946 17.316 ( -18.420 0.520 -5.590) 19.256 18.848 ( 16.386 -0.046 10.070) 19.233 19.067 ( -4.640 -1.744 -5.520) 7.419 19.769 ( 0.250 -1.337 -0.231) 1.380 20.836 ( -12.940 5.255 -7.714) 15.955 22.912 ( 14.088 -4.895 14.382) 20.719 23.679 ( -0.550 1.520 -5.589) 5.818 24.431 ( 7.655 -0.232 2.534) 8.067 ======================= Grid point 630 (305/432) ======================= q-point: (-0.64 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( -8.261 -5.455 4.093) 10.712 2.637 ( -10.116 -3.126 -7.515) 12.984 2.978 ( 1.122 1.673 -5.350) 5.716 3.190 ( 7.808 3.132 4.075) 9.348 3.385 ( 4.317 -0.747 5.501) 7.032 3.650 ( 6.054 -6.748 -3.894) 9.867 3.863 ( 14.138 4.728 2.330) 15.088 4.340 ( 2.753 -2.378 4.018) 5.420 4.777 ( -13.214 -1.225 -1.055) 13.313 5.050 ( -9.865 -2.708 -0.680) 10.252 5.350 ( -13.628 -0.382 0.046) 13.634 5.821 ( 0.688 3.378 -9.506) 10.111 6.445 ( -14.155 2.911 7.420) 16.245 7.378 ( 2.013 -4.316 -1.952) 5.147 8.018 ( -1.081 9.932 -7.001) 12.200 8.978 ( -5.330 5.857 -0.665) 7.947 9.446 ( -21.195 -10.998 5.057) 24.408 9.754 ( -5.478 -5.442 -1.055) 7.793 9.955 ( -12.273 0.816 13.611) 18.345 10.236 ( -6.667 -0.531 3.214) 7.421 10.974 ( 12.373 20.278 -2.127) 23.850 11.439 ( 6.241 -8.097 5.501) 11.609 11.741 ( 23.047 4.481 -22.347) 32.414 12.928 ( 10.210 -0.122 1.236) 10.285 13.683 ( -1.366 -3.988 -4.856) 6.431 13.966 ( 6.719 -6.525 3.828) 10.118 14.014 ( -11.263 5.525 11.142) 16.778 14.658 ( 7.832 -12.346 -4.876) 15.412 17.077 ( -16.464 0.416 5.754) 17.446 18.967 ( -0.484 -5.702 -10.513) 11.969 19.175 ( 14.604 2.434 10.953) 18.417 19.772 ( -2.202 -2.586 0.554) 3.441 20.575 ( -5.517 7.198 -7.715) 11.907 23.237 ( 0.587 -10.859 12.539) 16.597 23.610 ( 8.616 7.325 -8.095) 13.908 24.569 ( 5.981 -0.640 5.447) 8.115 ======================= Grid point 631 (306/432) ======================= q-point: (-0.55 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( -12.151 -2.995 -8.232) 14.979 2.488 ( -16.162 0.458 11.847) 20.045 2.958 ( 5.914 -0.909 -5.731) 8.285 3.294 ( 6.978 4.327 3.148) 8.794 3.494 ( 0.910 -4.178 3.301) 5.401 3.756 ( 5.389 -9.406 -5.139) 11.997 4.029 ( 14.961 5.667 1.339) 16.054 4.372 ( -6.419 1.065 5.960) 8.824 4.647 ( -12.296 -2.645 4.782) 13.456 4.963 ( -3.203 -2.744 -2.091) 4.707 5.177 ( -10.587 -0.947 -2.915) 11.022 5.694 ( 1.758 3.358 -10.414) 11.083 6.357 ( -10.844 2.780 10.632) 15.439 7.420 ( 1.761 -4.821 -1.724) 5.414 7.895 ( 2.215 3.301 -7.576) 8.555 8.825 ( -5.472 9.491 -1.225) 11.024 9.297 ( -22.487 -12.436 3.470) 25.930 9.746 ( -2.121 -2.733 1.774) 3.888 9.906 ( -14.979 -0.146 11.036) 18.606 10.226 ( -2.500 -0.022 4.508) 5.155 10.981 ( 11.339 15.876 2.166) 19.629 11.565 ( 0.561 -3.119 -0.039) 3.170 11.730 ( 20.348 5.726 -21.994) 30.505 13.011 ( 2.628 -1.176 -1.519) 3.255 13.625 ( -3.476 -2.125 -3.591) 5.431 13.920 ( -8.356 1.368 3.367) 9.112 14.157 ( 5.904 2.380 6.632) 9.193 14.843 ( 10.497 -15.090 -4.934) 19.032 17.035 ( -11.427 -1.788 19.200) 22.415 18.880 ( 2.409 -6.375 -17.052) 18.363 19.437 ( 11.689 2.759 8.209) 14.547 19.773 ( -0.091 -1.416 -0.407) 1.477 20.401 ( -1.282 6.977 -4.687) 8.502 23.351 ( -13.971 -16.974 4.208) 22.384 23.642 ( 17.967 11.449 -4.302) 21.734 24.712 ( 3.946 -0.239 6.798) 7.863 ======================= Grid point 632 (307/432) ======================= q-point: (-0.45 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -13.423 2.620 -2.461) 13.896 2.378 ( -18.035 5.715 12.782) 22.833 3.002 ( 6.099 -1.263 -3.036) 6.928 3.364 ( 6.545 3.605 -0.959) 7.534 3.552 ( -1.250 -4.176 0.129) 4.361 3.798 ( -6.026 -10.438 -1.032) 12.097 4.124 ( -0.334 -1.928 -1.937) 2.753 4.430 ( 9.218 -0.553 6.634) 11.370 4.577 ( -11.031 0.909 8.764) 14.118 4.946 ( -0.675 -1.444 -4.195) 4.487 5.050 ( -3.144 0.764 -0.366) 3.256 5.592 ( 4.763 2.627 -9.812) 11.219 6.356 ( -6.855 1.782 13.396) 15.153 7.459 ( 0.413 -2.628 -0.126) 2.663 7.818 ( 3.033 -0.897 -11.703) 12.123 8.691 ( -6.128 5.957 4.918) 9.860 9.175 ( -17.065 -10.764 4.836) 20.748 9.771 ( 0.990 2.054 2.035) 3.056 9.835 ( -15.281 -1.669 12.253) 19.658 10.242 ( -0.297 4.134 3.111) 5.183 11.035 ( 4.215 5.041 3.336) 7.370 11.523 ( 0.523 2.667 -7.026) 7.534 11.697 ( 14.729 4.126 -17.241) 23.048 12.996 ( -2.950 0.190 -1.004) 3.122 13.543 ( -4.176 1.664 -2.719) 5.253 13.845 ( -7.624 0.313 3.262) 8.298 14.237 ( 3.546 4.686 3.205) 6.694 15.038 ( 11.338 -13.362 -8.905) 19.657 17.243 ( -3.243 -5.772 28.491) 29.250 18.734 ( 3.642 -3.327 -23.306) 23.823 19.608 ( 6.109 1.531 3.168) 7.050 19.809 ( 7.933 -0.202 -1.690) 8.113 20.309 ( -0.868 5.604 -0.573) 5.699 23.333 ( -12.785 -17.611 0.175) 21.763 23.728 ( 12.365 7.538 -3.119) 14.813 24.802 ( 0.066 2.243 4.575) 5.096 ======================= Grid point 633 (308/432) ======================= q-point: (-0.36 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -10.351 6.825 7.386) 14.432 2.228 ( -15.752 10.186 13.294) 22.992 3.059 ( 5.229 -0.663 -1.769) 5.560 3.382 ( 3.957 2.503 -3.748) 5.998 3.504 ( -5.095 -1.374 -5.478) 7.606 3.770 ( -15.661 -9.629 7.991) 20.045 4.099 ( -1.748 -11.513 -8.504) 14.419 4.487 ( -9.181 1.892 8.697) 12.787 4.749 ( 17.159 3.304 4.127) 17.955 4.832 ( -4.897 -1.388 -2.022) 5.476 5.090 ( 3.931 1.855 4.391) 6.179 5.575 ( 10.065 1.358 -6.975) 12.321 6.449 ( -2.639 -0.533 15.144) 15.382 7.459 ( -2.052 2.510 1.547) 3.592 7.711 ( 3.054 -0.863 -15.162) 15.490 8.713 ( -6.668 -7.459 12.816) 16.259 9.152 ( -8.496 -6.366 8.232) 13.434 9.727 ( -6.352 4.585 5.038) 9.314 9.881 ( -3.748 -1.811 12.801) 13.461 10.193 ( -0.692 11.123 0.332) 11.150 11.029 ( -10.202 -6.027 -0.424) 11.857 11.414 ( 4.484 7.976 -9.421) 13.134 11.677 ( 11.937 1.967 -11.918) 16.982 12.919 ( -6.305 1.476 -0.004) 6.475 13.428 ( -5.069 6.732 0.132) 8.428 13.789 ( -6.754 0.255 3.722) 7.715 14.266 ( 2.422 3.971 1.774) 4.978 15.145 ( 9.774 -10.414 -14.530) 20.374 17.648 ( 5.223 -9.291 27.072) 29.094 18.527 ( 6.287 1.455 -24.437) 25.274 19.633 ( -2.130 -2.224 -2.787) 4.153 19.950 ( 15.586 0.175 -3.936) 16.076 20.262 ( -0.629 5.939 3.596) 6.971 23.328 ( -13.911 -21.484 0.390) 25.597 23.766 ( 9.575 5.895 -5.287) 12.425 24.756 ( -5.887 6.866 0.368) 9.052 ======================= Grid point 634 (309/432) ======================= q-point: (-0.27 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -4.586 7.327 15.312) 17.584 2.128 ( -10.177 10.969 16.211) 22.061 3.104 ( 2.823 -1.398 -1.656) 3.559 3.324 ( -10.364 -3.820 -3.240) 11.511 3.366 ( 4.298 5.178 -9.519) 11.657 3.758 ( -12.682 -6.592 11.521) 18.358 4.056 ( -2.067 -12.435 -13.519) 18.484 4.484 ( -6.474 1.652 10.176) 12.174 4.606 ( -4.754 5.919 -8.474) 11.378 5.120 ( 12.940 -1.523 12.149) 17.815 5.179 ( 6.045 1.766 2.659) 6.836 5.678 ( 14.186 -0.498 -3.036) 14.516 6.639 ( 2.069 -4.486 15.357) 16.132 7.399 ( -2.575 7.727 1.012) 8.208 7.610 ( 2.756 -1.556 -8.948) 9.491 8.897 ( -8.832 -18.212 16.742) 26.268 9.233 ( -1.972 -4.049 9.655) 10.654 9.696 ( -1.688 5.914 8.016) 10.103 9.975 ( -11.318 5.566 12.960) 18.084 10.102 ( 8.246 8.698 1.465) 12.074 10.855 ( -21.826 -7.779 -1.743) 23.237 11.287 ( 5.247 11.542 -10.559) 16.499 11.696 ( 9.506 -0.827 -10.974) 14.542 12.812 ( -8.740 0.545 0.208) 8.759 13.332 ( -4.016 9.033 6.373) 11.762 13.737 ( -5.439 1.380 2.208) 6.030 14.279 ( 1.715 2.524 0.623) 3.114 15.146 ( 7.596 -7.584 -18.626) 21.498 18.025 ( 7.916 -8.393 0.482) 11.547 18.432 ( 14.480 2.280 -3.582) 15.089 19.538 ( -8.306 -5.264 -7.651) 12.459 20.005 ( 3.253 2.993 -8.006) 9.145 20.367 ( 14.462 4.074 8.016) 17.029 23.298 ( -21.912 -24.342 -0.599) 32.757 23.779 ( 11.925 5.979 -7.428) 15.269 24.552 ( -11.382 11.166 -1.262) 15.995 ======================= Grid point 635 (310/432) ======================= q-point: (-0.18 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( -0.679 3.359 16.885) 17.229 2.153 ( -4.835 8.386 19.601) 21.861 3.109 ( -2.413 -2.150 -0.654) 3.298 3.156 ( -7.871 -2.030 -5.437) 9.780 3.332 ( 9.761 3.954 -7.658) 13.022 3.795 ( -6.298 -3.091 8.212) 10.801 3.946 ( -5.265 -10.113 -13.279) 17.502 4.319 ( -9.662 5.042 -8.885) 14.061 4.596 ( 1.448 2.686 10.613) 11.043 5.228 ( -0.800 2.253 5.858) 6.327 5.425 ( 12.176 -1.954 6.283) 13.841 5.861 ( 14.181 -1.581 -0.659) 14.284 6.901 ( 5.526 -8.611 10.112) 14.385 7.295 ( -0.988 9.766 -1.088) 9.876 7.661 ( 3.925 -2.840 8.725) 9.980 9.130 ( -12.643 -20.945 19.815) 31.483 9.352 ( -0.512 -5.556 6.156) 8.309 9.748 ( 7.378 15.241 1.112) 16.969 9.841 ( -12.426 5.057 15.522) 20.516 10.277 ( 7.761 7.020 11.288) 15.393 10.603 ( -22.621 -10.138 0.942) 24.807 11.118 ( 2.372 13.863 -9.007) 16.702 11.653 ( 6.003 -1.108 -16.663) 17.746 12.686 ( -11.460 -1.565 -0.380) 11.573 13.323 ( -1.898 7.245 10.631) 13.004 13.677 ( -2.221 2.714 -0.136) 3.510 14.280 ( 0.309 1.239 -0.001) 1.277 15.064 ( 5.421 -4.955 -19.839) 21.155 18.017 ( 10.037 -1.284 -18.709) 21.270 18.769 ( 20.361 -2.544 10.600) 23.096 19.325 ( -13.454 -5.759 -12.807) 19.447 19.875 ( -4.363 4.162 -6.141) 8.606 20.688 ( 22.798 2.120 8.150) 24.304 23.089 ( -32.155 -17.043 -5.157) 36.756 23.833 ( 14.066 3.398 -6.402) 15.824 24.293 ( -12.830 9.636 1.103) 16.083 ======================= Grid point 636 (311/432) ======================= q-point: (-0.09 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -0.695 0.250 14.731) 14.750 2.287 ( -1.314 3.439 20.501) 20.829 3.005 ( -6.192 -1.107 -3.119) 7.021 3.149 ( 5.643 -1.706 -1.773) 6.156 3.352 ( 10.782 3.356 -8.487) 14.126 3.720 ( -8.602 -3.913 -9.938) 13.714 3.882 ( -2.453 -3.370 1.162) 4.327 4.047 ( -9.579 4.853 -8.453) 13.667 4.744 ( 4.112 0.904 11.154) 11.922 5.249 ( -1.768 1.248 3.917) 4.476 5.612 ( 4.149 -0.933 5.927) 7.295 6.033 ( 10.501 -1.192 -0.662) 10.590 7.055 ( -3.171 -4.393 0.537) 5.444 7.250 ( 6.889 4.210 -0.014) 8.074 7.969 ( 6.829 -3.617 26.960) 28.045 9.309 ( -18.721 -12.609 18.606) 29.252 9.473 ( -2.536 -11.141 9.458) 14.833 9.674 ( 8.484 11.124 -1.084) 14.032 9.927 ( -1.193 5.783 11.678) 13.086 10.180 ( -19.107 13.204 9.019) 24.915 10.667 ( 0.554 -17.476 0.022) 17.485 10.970 ( 7.529 16.071 2.287) 17.894 11.521 ( 6.466 -0.327 -20.374) 21.378 12.502 ( -15.194 -2.060 -4.912) 16.101 13.382 ( -1.341 3.714 11.033) 11.718 13.648 ( 2.730 2.479 -1.122) 3.854 14.267 ( -1.576 0.259 0.327) 1.630 14.936 ( 3.356 -2.456 -18.096) 18.568 17.987 ( 13.591 -0.146 -14.188) 19.648 18.951 ( -12.649 -0.024 -14.640) 19.347 19.190 ( 16.494 -4.809 2.252) 17.328 19.705 ( -8.074 2.504 -4.025) 9.363 21.094 ( 25.673 0.936 9.352) 27.339 22.651 ( -36.863 -5.872 -6.738) 37.931 23.935 ( 13.181 0.820 -4.615) 13.989 24.097 ( -11.669 3.818 2.353) 12.501 ======================= Grid point 638 (312/432) ======================= q-point: ( 0.09 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( -1.900 0.000 -1.947) 2.720 2.676 ( 6.534 -0.000 5.493) 8.536 2.951 ( -3.197 0.000 -6.366) 7.124 3.119 ( 6.366 -0.000 0.122) 6.367 3.415 ( -1.369 0.000 -9.006) 9.110 3.467 ( 3.553 -0.000 4.963) 6.104 3.586 ( -0.675 0.000 3.794) 3.854 3.943 ( 8.724 -0.000 0.113) 8.724 5.129 ( -4.461 0.000 -7.113) 8.396 5.162 ( -1.395 0.000 4.575) 4.783 5.639 ( -13.685 0.000 8.056) 15.880 6.065 ( -0.761 0.000 -6.031) 6.079 6.777 ( -14.138 0.000 4.722) 14.905 7.299 ( 0.519 -0.000 -2.699) 2.748 8.925 ( -15.154 0.000 16.113) 22.119 9.074 ( -16.682 0.000 -19.603) 25.741 9.366 ( -7.082 0.000 20.713) 21.890 9.769 ( -9.081 0.000 25.130) 26.721 10.050 ( -7.008 0.000 -16.151) 17.606 10.266 ( 12.321 -0.000 -3.449) 12.794 10.638 ( 11.183 -0.000 19.324) 22.327 11.350 ( 5.351 -0.000 -14.878) 15.811 11.703 ( 13.588 -0.000 -18.477) 22.935 12.246 ( 23.968 -0.000 16.704) 29.215 13.516 ( -2.270 0.000 3.491) 4.164 13.750 ( 2.257 -0.000 -4.334) 4.886 14.201 ( -7.755 0.000 6.858) 10.352 14.550 ( 0.966 -0.000 -9.365) 9.414 17.673 ( -18.733 0.000 -12.895) 22.742 18.522 ( 17.792 -0.000 6.612) 18.981 19.197 ( -9.514 0.000 -3.114) 10.011 19.741 ( 4.698 -0.000 -1.603) 4.964 21.210 ( -21.121 0.000 -7.157) 22.300 22.464 ( 19.122 -0.000 15.287) 24.482 23.758 ( -3.808 0.000 -2.264) 4.430 24.303 ( 9.906 -0.000 -0.585) 9.923 ======================= Grid point 639 (313/432) ======================= q-point: ( 0.18 0.09 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( -4.553 1.689 -5.016) 6.982 2.698 ( -4.673 -4.837 -6.600) 9.423 3.001 ( 9.482 0.140 4.626) 10.551 3.153 ( 3.369 5.328 -2.693) 6.855 3.301 ( -0.667 -4.334 -7.120) 8.362 3.560 ( 2.776 1.413 4.202) 5.231 3.712 ( 6.612 0.940 10.365) 12.330 4.094 ( 9.046 -4.383 1.642) 10.185 4.959 ( -8.505 -0.389 -7.582) 11.400 5.136 ( -8.597 -0.280 2.130) 8.862 5.521 ( -15.292 0.311 5.162) 16.143 5.977 ( 0.640 1.216 -8.190) 8.304 6.632 ( -15.691 1.257 5.798) 16.775 7.290 ( 1.070 -1.866 -2.129) 3.026 8.550 ( -13.651 14.899 -13.996) 24.581 8.964 ( -14.438 -12.694 7.868) 20.773 9.444 ( -11.661 0.309 13.312) 17.700 9.794 ( -8.040 -0.798 -8.726) 11.892 9.935 ( -10.471 -0.124 22.918) 25.197 10.300 ( 1.428 0.281 -6.782) 6.936 11.019 ( 14.979 -2.884 13.940) 20.664 11.282 ( 10.888 6.142 -9.422) 15.654 11.738 ( 24.202 1.560 -21.122) 32.161 12.701 ( 19.416 0.904 11.020) 22.344 13.569 ( 3.028 -2.822 4.250) 5.932 13.716 ( -1.234 -5.242 -5.758) 7.884 14.161 ( -10.948 2.156 9.447) 14.621 14.480 ( 2.325 -2.112 -7.647) 8.267 17.322 ( -18.136 0.176 -5.605) 18.983 18.845 ( 15.406 -0.194 9.241) 17.966 19.055 ( -5.097 -0.131 -3.201) 6.020 19.750 ( -1.364 -0.693 -0.413) 1.585 20.899 ( -11.263 1.972 -9.024) 14.566 22.846 ( 8.961 -2.316 16.646) 19.046 23.708 ( 3.202 1.246 -4.385) 5.571 24.424 ( 8.278 -0.335 0.705) 8.314 ======================= Grid point 640 (314/432) ======================= q-point: (-0.73 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( -5.189 -3.349 -4.302) 7.526 2.576 ( -7.886 -3.745 -5.275) 10.201 3.021 ( 0.703 3.705 -7.697) 8.572 3.233 ( 10.299 1.258 4.411) 11.275 3.326 ( 1.979 -5.810 0.117) 6.139 3.619 ( 1.773 2.857 4.619) 5.713 3.932 ( 11.821 3.107 8.518) 14.898 4.257 ( 4.592 -6.443 1.590) 8.070 4.770 ( -10.341 -0.061 -2.809) 10.716 5.000 ( -13.944 -2.380 -0.423) 14.152 5.357 ( -14.571 0.702 1.818) 14.700 5.877 ( 2.464 2.861 -10.298) 10.968 6.492 ( -14.322 2.425 7.894) 16.532 7.302 ( 0.639 -3.895 -2.345) 4.591 8.155 ( -8.285 5.833 -14.202) 17.446 8.974 ( -10.493 -5.337 9.206) 14.945 9.348 ( -17.375 0.470 4.489) 17.951 9.653 ( -6.522 -5.998 -3.577) 9.555 10.010 ( -11.788 3.792 17.603) 21.522 10.201 ( -6.192 -2.369 -2.858) 7.220 11.300 ( 18.523 15.781 -5.405) 24.928 11.362 ( 12.119 -1.688 8.994) 15.186 11.802 ( 24.752 2.598 -22.589) 33.611 12.942 ( 8.934 1.634 1.299) 9.175 13.610 ( -2.160 -4.018 -5.869) 7.433 13.828 ( 10.803 -8.375 3.928) 14.222 14.102 ( -12.980 4.217 14.682) 20.045 14.484 ( 4.286 -7.739 -6.436) 10.940 17.082 ( -16.685 0.221 4.782) 17.358 18.895 ( -2.295 -2.808 -8.573) 9.309 19.219 ( 14.684 2.303 12.342) 19.320 19.731 ( -2.580 -2.124 0.463) 3.374 20.667 ( -4.540 3.705 -9.880) 11.487 23.075 ( -6.501 -7.228 12.923) 16.171 23.739 ( 13.533 6.598 -3.583) 15.476 24.545 ( 6.314 -1.733 2.521) 7.016 ======================= Grid point 641 (315/432) ======================= q-point: (-0.64 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( -6.135 -4.149 -6.844) 10.085 2.479 ( -10.032 -1.507 6.517) 12.057 2.938 ( 3.934 -0.783 -8.816) 9.686 3.371 ( 3.203 -4.766 2.238) 6.163 3.406 ( 3.927 2.670 2.768) 5.497 3.671 ( 0.934 -0.412 2.462) 2.666 4.127 ( 11.204 5.565 3.843) 13.087 4.330 ( -4.374 -6.061 2.447) 7.865 4.635 ( -11.234 1.534 4.234) 12.103 4.874 ( -6.394 -6.933 -1.367) 9.530 5.182 ( -11.673 1.203 0.270) 11.738 5.762 ( 3.740 4.244 -11.820) 13.104 6.405 ( -11.202 2.806 10.618) 15.688 7.318 ( -0.253 -6.169 -2.588) 6.695 7.914 ( -4.171 -1.492 -11.587) 12.405 8.967 ( -7.713 6.510 8.247) 13.034 9.124 ( -19.573 -6.104 0.007) 20.503 9.633 ( -5.389 -9.620 1.394) 11.114 9.958 ( -9.043 4.865 6.450) 12.126 10.163 ( -10.222 -4.753 8.883) 14.352 11.334 ( 18.640 22.251 -3.826) 29.278 11.568 ( 8.265 2.588 3.370) 9.293 11.822 ( 21.980 4.695 -23.200) 32.302 12.993 ( 2.199 -0.329 -1.991) 2.984 13.550 ( -3.118 -6.268 -5.260) 8.757 13.930 ( -5.785 -0.723 1.222) 5.957 14.196 ( 4.154 2.658 12.899) 13.810 14.592 ( 7.614 -14.005 -3.772) 16.381 17.009 ( -13.101 -1.192 17.156) 21.619 18.789 ( 0.844 -4.244 -13.807) 14.469 19.501 ( 12.467 4.182 9.501) 16.223 19.742 ( 1.134 -2.099 0.304) 2.405 20.490 ( -1.920 3.693 -8.489) 9.454 23.105 ( -15.551 -11.756 6.115) 20.431 23.843 ( 16.178 11.574 -1.365) 19.938 24.677 ( 4.147 -3.509 4.393) 6.986 ======================= Grid point 642 (316/432) ======================= q-point: (-0.55 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( -5.949 1.964 -2.785) 6.856 2.444 ( -13.598 2.407 13.433) 19.265 2.954 ( 7.864 -4.540 -6.548) 11.195 3.401 ( -2.771 -4.301 -2.196) 5.568 3.495 ( 4.380 2.911 5.202) 7.398 3.673 ( -3.798 -4.133 -1.457) 5.799 4.116 ( -10.796 -0.059 -2.438) 11.068 4.419 ( 8.510 -0.200 6.062) 10.450 4.571 ( -7.753 -1.560 8.107) 11.325 4.884 ( -1.325 -5.189 -2.249) 5.808 5.075 ( -3.993 1.947 3.680) 5.769 5.653 ( 6.327 4.294 -11.924) 14.166 6.391 ( -7.565 2.277 12.652) 14.916 7.347 ( -1.580 -8.728 -1.247) 8.957 7.787 ( -1.440 -4.141 -9.621) 10.573 8.759 ( -19.703 1.622 0.876) 19.789 9.073 ( -3.945 -0.295 7.921) 8.854 9.683 ( -7.143 -11.465 5.526) 14.595 9.879 ( -5.922 5.555 5.428) 9.767 10.186 ( -10.303 -6.790 10.093) 15.941 11.309 ( 12.062 23.578 -3.676) 26.738 11.626 ( 9.081 8.748 -3.119) 12.989 11.783 ( 17.441 5.511 -21.396) 28.149 12.984 ( -1.832 -1.275 -1.158) 2.515 13.514 ( -2.473 -4.853 -3.380) 6.410 13.854 ( -9.530 0.553 4.875) 10.719 14.306 ( 3.481 3.174 2.836) 5.499 14.799 ( 9.846 -14.289 -4.219) 17.858 17.155 ( -6.686 -4.529 27.305) 28.474 18.667 ( 3.551 -4.120 -19.467) 20.213 19.675 ( 7.946 5.633 3.172) 10.243 19.801 ( 8.043 -0.648 -1.465) 8.201 20.369 ( -1.742 1.688 -4.325) 4.959 23.044 ( -17.738 -15.086 3.280) 23.516 23.912 ( 12.786 12.746 -2.194) 18.187 24.791 ( 0.663 -3.200 3.961) 5.135 ======================= Grid point 643 (317/432) ======================= q-point: (-0.45 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -3.856 7.805 6.356) 10.779 2.375 ( -13.872 7.329 14.397) 21.294 3.040 ( 6.573 -2.763 -2.062) 7.422 3.348 ( -7.511 -4.645 -2.149) 9.089 3.506 ( -4.297 -0.815 -2.062) 4.835 3.675 ( 1.260 -1.117 0.859) 1.890 3.934 ( -11.266 -7.190 -5.251) 14.359 4.498 ( -6.861 -0.247 7.256) 9.990 4.736 ( 7.288 -4.522 9.273) 12.632 4.831 ( 1.405 1.110 -4.889) 5.207 5.125 ( 2.179 2.288 7.612) 8.241 5.611 ( 10.663 2.792 -9.501) 14.553 6.451 ( -3.851 0.703 13.460) 14.018 7.384 ( -5.060 -9.539 1.407) 10.889 7.706 ( 1.750 -1.505 -10.341) 10.595 8.565 ( -17.022 -8.719 4.964) 19.759 9.135 ( -0.764 3.778 10.618) 11.296 9.733 ( -14.192 -9.123 11.342) 20.329 9.861 ( 1.732 3.903 5.566) 7.015 10.218 ( -9.357 -6.091 7.803) 13.621 11.154 ( 0.623 19.919 -5.601) 20.700 11.612 ( 18.006 13.902 -15.130) 27.320 11.734 ( 9.907 5.261 -9.680) 14.817 12.934 ( -5.470 0.095 -0.355) 5.482 13.479 ( -2.975 -0.615 -0.538) 3.085 13.795 ( -8.087 0.397 6.022) 10.090 14.329 ( 1.543 2.978 0.842) 3.458 14.950 ( 7.989 -12.034 -9.784) 17.446 17.499 ( 0.710 -8.151 29.151) 30.277 18.516 ( 6.403 -2.402 -22.793) 23.797 19.661 ( -0.563 5.238 -4.180) 6.725 19.947 ( 15.423 -0.469 -3.795) 15.890 20.322 ( -0.306 1.038 0.945) 1.437 22.979 ( -19.233 -18.479 3.333) 26.879 23.924 ( 10.324 11.599 -4.039) 16.044 24.810 ( -4.629 -0.110 0.725) 4.687 ======================= Grid point 644 (318/432) ======================= q-point: (-0.36 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -2.591 10.228 13.321) 16.994 2.308 ( -10.426 9.890 16.073) 21.560 3.100 ( 1.590 0.245 0.515) 1.689 3.237 ( -11.784 -5.734 -2.115) 13.274 3.410 ( -2.196 -0.927 -5.866) 6.332 3.708 ( 1.678 2.040 3.225) 4.169 3.842 ( -4.159 -12.973 -10.576) 17.247 4.493 ( -8.679 -0.803 7.640) 11.591 4.672 ( -5.635 2.230 -2.753) 6.656 5.083 ( 16.376 -2.832 7.292) 18.149 5.221 ( 1.711 3.137 7.840) 8.616 5.676 ( 13.768 0.409 -5.264) 14.746 6.582 ( 0.116 -2.229 13.105) 13.294 7.405 ( -7.791 -7.569 5.042) 11.976 7.616 ( 3.663 2.062 -10.791) 11.581 8.586 ( -11.437 -17.712 10.741) 23.662 9.222 ( -1.486 2.839 12.001) 12.421 9.748 ( -12.159 -2.234 16.217) 20.392 9.976 ( 2.372 -3.961 8.232) 9.439 10.193 ( -8.674 1.507 4.803) 10.029 10.904 ( -5.783 15.160 -4.754) 16.908 11.524 ( 18.822 14.301 -21.367) 31.864 11.724 ( 6.292 6.328 -4.738) 10.103 12.826 ( -9.454 0.737 -0.721) 9.510 13.445 ( -3.044 3.791 4.408) 6.562 13.764 ( -5.447 1.634 5.270) 7.753 14.325 ( 0.403 2.530 0.498) 2.610 14.992 ( 5.691 -10.086 -14.782) 18.778 17.885 ( 5.769 -8.028 13.361) 16.620 18.424 ( 11.401 -3.137 -12.628) 17.300 19.509 ( -6.394 2.165 -8.611) 10.941 20.033 ( 4.899 0.517 -7.423) 8.909 20.423 ( 13.884 1.991 5.271) 14.984 22.911 ( -22.940 -20.779 3.414) 31.139 23.912 ( 10.201 9.512 -5.663) 15.054 24.683 ( -10.104 4.390 -2.362) 11.267 ======================= Grid point 645 (319/432) ======================= q-point: (-0.27 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -2.299 7.251 14.327) 16.221 2.310 ( -7.189 9.540 18.882) 22.343 3.086 ( -8.554 -1.522 0.310) 8.694 3.108 ( -3.010 -2.289 -3.012) 4.835 3.382 ( 6.548 1.149 -4.399) 7.972 3.743 ( 0.099 -6.343 -11.297) 12.957 3.779 ( -1.701 -5.272 0.450) 5.558 4.367 ( -11.449 0.407 -5.282) 12.616 4.658 ( -0.110 4.403 10.520) 11.405 5.278 ( 1.116 2.976 3.959) 5.077 5.379 ( 10.506 -2.920 8.119) 13.595 5.830 ( 13.573 -1.853 -1.695) 13.803 6.780 ( 3.884 -5.796 10.222) 12.376 7.403 ( -4.837 0.893 1.721) 5.211 7.593 ( 3.734 -3.704 2.285) 5.734 8.753 ( -10.721 -22.752 12.959) 28.294 9.311 ( -3.010 0.786 11.393) 11.811 9.836 ( -12.708 -1.003 24.146) 27.304 10.081 ( 1.489 17.254 1.007) 17.348 10.154 ( -2.867 -15.446 7.862) 17.567 10.675 ( -5.744 13.900 0.166) 15.041 11.394 ( 15.255 18.113 -17.219) 29.280 11.652 ( 3.344 3.051 -12.250) 13.060 12.665 ( -13.047 -0.913 -1.655) 13.183 13.443 ( -2.106 5.995 8.669) 10.748 13.739 ( -1.651 4.376 3.253) 5.697 14.309 ( -0.949 1.916 0.382) 2.172 14.948 ( 3.882 -8.474 -17.482) 19.812 17.990 ( 9.448 -1.762 -13.778) 16.799 18.672 ( 15.900 -9.393 9.091) 20.583 19.267 ( -11.123 -0.021 -12.291) 16.576 19.935 ( -3.536 2.514 -7.224) 8.427 20.729 ( 23.563 2.339 6.402) 24.529 22.771 ( -28.969 -19.067 1.332) 34.707 23.918 ( 11.396 6.589 -5.990) 14.462 24.445 ( -13.151 7.404 -2.444) 15.288 ======================= Grid point 646 (320/432) ======================= q-point: (-0.18 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( -1.639 1.983 13.010) 13.262 2.378 ( -4.281 6.828 19.289) 20.905 2.972 ( -6.133 -2.650 -2.486) 7.129 3.117 ( 3.126 -1.326 -1.390) 3.669 3.430 ( 10.859 4.741 -4.525) 12.684 3.610 ( -5.328 -8.222 -13.355) 16.563 3.833 ( 1.053 -2.031 0.531) 2.348 4.129 ( -10.808 3.712 -6.534) 13.164 4.775 ( 2.627 2.841 11.898) 12.511 5.289 ( -0.951 3.284 3.010) 4.555 5.582 ( 4.073 -2.516 6.576) 8.134 5.997 ( 10.141 -2.789 -0.781) 10.546 6.965 ( 2.010 -5.623 4.387) 7.410 7.326 ( -0.084 3.609 -2.947) 4.660 7.854 ( 6.058 -9.646 20.842) 23.751 8.950 ( -12.271 -25.644 11.397) 30.628 9.386 ( -4.850 -0.279 11.894) 12.848 9.860 ( -18.003 4.867 19.773) 27.181 10.058 ( 9.325 15.391 6.463) 19.121 10.314 ( -7.327 -15.186 3.047) 17.134 10.537 ( 1.011 15.658 4.764) 16.398 11.261 ( 11.955 19.696 -6.445) 23.924 11.513 ( 6.728 -0.357 -20.238) 21.331 12.452 ( -16.563 -3.245 -5.271) 17.682 13.477 ( -1.634 6.252 10.135) 12.020 13.727 ( 2.991 6.593 1.399) 7.374 14.277 ( -2.702 0.914 0.423) 2.884 14.857 ( 2.590 -6.847 -17.054) 18.559 17.983 ( 13.418 -0.281 -13.383) 18.953 18.928 ( -15.738 -4.720 -14.764) 22.089 19.080 ( 17.491 -5.257 5.715) 19.137 19.763 ( -6.364 3.534 -6.262) 9.602 21.123 ( 26.249 2.232 8.285) 27.616 22.485 ( -33.799 -12.539 -2.087) 36.110 23.970 ( 11.882 3.339 -4.770) 13.232 24.193 ( -12.743 6.546 -0.528) 14.336 ======================= Grid point 647 (321/432) ======================= q-point: (-0.09 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( -1.053 -0.578 11.938) 11.999 2.515 ( 0.653 2.757 14.587) 14.860 2.934 ( -0.496 -1.350 1.110) 1.817 3.155 ( 3.954 -4.646 -6.143) 8.658 3.417 ( 3.296 0.921 -12.742) 13.194 3.519 ( 2.404 2.126 -0.398) 3.234 3.803 ( -5.625 -0.189 -5.307) 7.735 3.925 ( -3.173 3.620 -3.717) 6.082 4.933 ( 4.108 1.148 10.400) 11.241 5.273 ( -1.250 2.288 0.905) 2.759 5.681 ( -3.075 -1.357 7.230) 7.973 6.106 ( 5.030 -2.301 -2.007) 5.884 6.987 ( -6.761 -0.472 2.004) 7.068 7.315 ( 3.893 -0.553 -2.766) 4.808 8.327 ( 7.355 -11.418 28.566) 31.630 9.081 ( -15.736 -23.492 7.523) 29.259 9.469 ( -6.767 -2.808 13.913) 15.724 9.868 ( -0.992 5.600 13.653) 14.791 10.119 ( -11.324 9.782 6.380) 16.267 10.165 ( 1.777 16.981 3.917) 17.518 10.525 ( -2.512 -3.256 -5.492) 6.861 11.343 ( 17.360 8.639 8.284) 21.086 11.419 ( 14.926 1.565 -18.622) 23.916 12.165 ( -17.263 -4.407 -11.040) 20.960 13.511 ( -2.316 5.486 8.825) 10.646 13.738 ( 5.680 6.462 -0.229) 8.606 14.240 ( -4.080 -0.570 1.594) 4.417 14.754 ( 1.604 -4.513 -14.409) 15.184 18.063 ( 16.128 0.003 -6.900) 17.542 18.530 ( -17.966 -0.911 -17.818) 25.320 19.387 ( 10.207 -6.759 2.220) 12.441 19.591 ( -2.933 4.081 -4.928) 7.039 21.558 ( 25.426 1.136 10.548) 27.551 22.071 ( -33.416 -5.278 -4.354) 34.109 23.994 ( -10.162 3.601 0.380) 10.788 24.065 ( 11.060 1.146 -3.168) 11.562 ======================= Grid point 650 (322/432) ======================= q-point: ( 0.18 0.18 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( -4.745 0.000 -8.049) 9.343 2.538 ( -6.385 0.000 -4.015) 7.542 3.072 ( 0.925 -0.000 -10.765) 10.804 3.222 ( 2.483 -0.000 -0.199) 2.491 3.272 ( 10.139 -0.000 5.033) 11.320 3.663 ( -0.905 0.000 8.713) 8.760 3.959 ( 11.000 -0.000 10.902) 15.487 4.187 ( 4.996 -0.000 0.336) 5.008 4.769 ( -8.012 0.000 -4.347) 9.115 4.981 ( -16.069 0.000 -0.188) 16.070 5.364 ( -14.920 0.000 2.555) 15.137 5.903 ( 3.122 -0.000 -10.496) 10.950 6.515 ( -14.404 0.000 8.058) 16.504 7.267 ( 0.105 -0.000 -2.187) 2.189 8.205 ( -12.316 0.000 -20.212) 23.669 8.911 ( -9.130 0.000 15.245) 17.770 9.374 ( -17.996 0.000 7.449) 19.477 9.590 ( -7.903 0.000 -5.787) 9.795 10.047 ( -14.967 0.000 23.900) 28.199 10.178 ( -0.850 0.000 -12.086) 12.116 11.348 ( 14.298 -0.000 11.081) 18.089 11.446 ( 20.573 -0.000 -6.362) 21.534 11.824 ( 25.387 -0.000 -23.057) 34.294 12.962 ( 8.477 -0.000 1.502) 8.609 13.571 ( -4.523 0.000 -7.518) 8.774 13.746 ( 13.957 -0.000 6.192) 15.269 14.140 ( -13.602 0.000 15.555) 20.664 14.416 ( 2.901 -0.000 -7.585) 8.120 17.084 ( -16.760 0.000 4.447) 17.340 18.871 ( -2.876 0.000 -7.978) 8.480 19.241 ( 14.675 -0.000 13.211) 19.746 19.711 ( -2.754 0.000 0.256) 2.766 20.698 ( -4.170 0.000 -10.873) 11.645 23.013 ( -7.959 0.000 13.032) 15.270 23.799 ( 14.257 -0.000 -1.172) 14.306 24.528 ( 6.374 -0.000 0.863) 6.432 ======================= Grid point 651 (323/432) ======================= q-point: (-0.73 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -2.339 -1.806 -5.843) 6.548 2.450 ( -5.351 -1.335 1.778) 5.794 2.941 ( 0.995 0.794 -10.788) 10.863 3.256 ( 0.478 -4.717 -1.448) 4.957 3.470 ( 9.960 1.851 4.952) 11.277 3.714 ( -5.358 3.541 9.794) 11.712 4.184 ( -2.043 -1.152 0.366) 2.373 4.232 ( 7.812 -1.646 7.524) 10.970 4.679 ( -6.514 3.254 1.127) 7.368 4.763 ( -11.114 -5.533 -1.533) 12.509 5.201 ( -12.711 0.721 2.307) 12.939 5.818 ( 4.718 1.912 -12.471) 13.470 6.442 ( -11.655 1.355 10.685) 15.869 7.239 ( -2.219 -2.720 -2.358) 4.229 7.874 ( -6.789 -1.978 -16.198) 17.674 8.995 ( -5.362 -0.901 13.975) 14.995 9.136 ( -22.314 3.951 1.995) 22.749 9.477 ( -7.968 -6.903 -0.852) 10.577 10.035 ( -3.760 3.698 -0.941) 5.357 10.101 ( -13.415 -2.818 13.745) 19.412 11.607 ( 13.407 3.919 2.859) 14.257 11.630 ( 22.092 8.016 -4.398) 23.910 11.876 ( 22.327 1.670 -22.585) 31.802 13.006 ( 1.957 1.309 -2.499) 3.434 13.445 ( -4.800 -4.704 -6.118) 9.088 13.906 ( -0.057 -1.326 -0.129) 1.333 14.246 ( 1.308 2.913 18.586) 18.858 14.406 ( 4.348 -7.195 -5.323) 9.950 16.996 ( -13.996 -0.410 16.073) 21.317 18.742 ( -0.049 -1.386 -12.419) 12.496 19.560 ( 12.478 2.306 11.668) 17.239 19.709 ( 2.015 -1.443 0.115) 2.481 20.529 ( -2.133 1.108 -11.297) 11.550 22.970 ( -16.274 -4.134 6.925) 18.163 23.997 ( 15.220 5.564 2.696) 16.428 24.617 ( 4.090 -2.660 1.227) 5.031 ======================= Grid point 652 (324/432) ======================= q-point: (-0.64 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -0.095 1.560 -0.975) 1.842 2.462 ( -6.357 -0.288 10.942) 12.658 2.877 ( 5.768 -3.548 -9.259) 11.471 3.276 ( -0.473 -7.171 -3.870) 8.162 3.595 ( 4.519 4.125 4.974) 7.885 3.657 ( -11.762 3.135 4.664) 13.036 4.088 ( -12.508 -3.439 -1.477) 13.056 4.440 ( 8.636 2.463 7.020) 11.399 4.533 ( -9.502 -2.431 3.910) 10.558 4.797 ( 2.233 -4.568 -0.864) 5.158 5.106 ( -6.375 1.583 6.920) 9.541 5.721 ( 6.779 3.341 -13.411) 15.394 6.427 ( -8.540 1.766 12.456) 15.205 7.209 ( -4.694 -6.839 -1.565) 8.441 7.698 ( -1.940 -5.064 -10.638) 11.941 8.780 ( -22.743 1.726 -3.792) 23.122 9.116 ( -2.854 3.395 15.972) 16.576 9.464 ( -8.346 -12.507 2.378) 15.222 9.967 ( -1.826 4.483 1.808) 5.167 10.099 ( -15.041 -3.368 14.952) 21.474 11.673 ( 13.526 15.648 -7.407) 21.970 11.786 ( 21.938 9.209 -8.698) 25.333 11.871 ( 14.578 5.569 -14.882) 21.564 12.971 ( -1.464 0.237 -2.015) 2.502 13.400 ( -2.558 -7.845 -3.104) 8.816 13.856 ( -9.270 -0.338 4.155) 10.164 14.336 ( 3.629 0.338 -2.430) 4.380 14.596 ( 7.743 -8.625 5.434) 12.802 17.096 ( -8.996 -2.410 26.528) 28.115 18.610 ( 2.987 -2.453 -17.487) 17.909 19.762 ( 10.603 3.099 2.702) 11.372 19.797 ( 7.066 1.164 1.783) 7.379 20.375 ( -2.555 -0.592 -9.254) 9.618 22.849 ( -18.791 -7.930 4.723) 20.935 24.122 ( 10.715 11.255 1.303) 15.594 24.709 ( 1.239 -5.907 1.814) 6.302 ======================= Grid point 653 (325/432) ======================= q-point: (-0.55 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 1.205 6.453 6.331) 9.120 2.482 ( -9.535 5.586 14.432) 18.177 2.950 ( 8.402 -7.206 -4.119) 11.810 3.267 ( -2.305 -5.112 -4.666) 7.295 3.485 ( -15.326 -0.174 2.117) 15.473 3.652 ( -0.061 -3.397 -0.681) 3.465 3.903 ( -9.357 3.058 -2.452) 10.145 4.488 ( -6.633 -1.029 6.451) 9.309 4.650 ( 3.592 -4.315 6.430) 8.536 4.832 ( 4.809 -1.352 -1.203) 5.138 5.165 ( 0.359 2.342 10.982) 11.234 5.661 ( 10.307 2.895 -11.645) 15.818 6.468 ( -5.113 1.084 12.714) 13.747 7.198 ( -7.916 -11.221 0.847) 13.759 7.649 ( 1.990 -4.436 -6.551) 8.158 8.465 ( -19.017 -2.942 -1.805) 19.328 9.224 ( -2.126 5.404 15.139) 16.214 9.506 ( -9.312 -14.920 4.926) 18.265 9.943 ( -7.704 4.564 11.339) 14.448 10.118 ( -7.841 -4.544 9.884) 13.410 11.539 ( 6.722 22.044 -10.830) 25.464 11.769 ( 19.153 4.968 -27.547) 33.917 11.927 ( 15.780 16.619 2.084) 23.012 12.924 ( -4.294 -1.126 -1.026) 4.557 13.419 ( -1.566 -6.041 0.152) 6.243 13.795 ( -9.246 -0.589 6.667) 11.414 14.344 ( 2.596 -1.596 -4.128) 5.131 14.777 ( 4.983 -7.547 -0.837) 9.082 17.383 ( -2.911 -5.449 31.112) 31.720 18.466 ( 5.640 -3.033 -21.852) 22.771 19.786 ( 0.859 8.849 -3.995) 9.747 19.936 ( 15.228 -0.757 -3.658) 15.679 20.298 ( 0.037 -3.665 -2.904) 4.676 22.730 ( -19.893 -11.099 5.203) 23.366 24.132 ( 7.382 12.743 -1.625) 14.817 24.762 ( -3.284 -5.282 0.413) 6.234 ======================= Grid point 654 (326/432) ======================= q-point: (-0.45 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( -1.204 8.970 11.398) 14.554 2.459 ( -9.339 8.752 15.509) 20.108 3.064 ( 2.100 -5.427 -0.160) 5.822 3.183 ( -7.788 0.331 -0.306) 7.801 3.356 ( -5.796 -4.275 -2.812) 7.731 3.620 ( -6.355 -12.733 -7.840) 16.247 3.807 ( 4.421 7.277 -1.730) 8.689 4.462 ( -9.831 -2.176 4.352) 10.969 4.693 ( -3.232 0.584 3.848) 5.060 5.021 ( 13.325 -4.760 4.097) 14.731 5.280 ( 1.298 3.784 11.167) 11.862 5.691 ( 12.831 1.119 -7.230) 14.771 6.560 ( -1.618 -0.643 11.887) 12.014 7.211 ( -9.933 -13.653 4.303) 17.424 7.636 ( 3.350 0.102 -6.703) 7.494 8.333 ( -12.730 -12.005 4.607) 18.094 9.305 ( -3.615 6.047 14.695) 16.297 9.584 ( -8.263 -14.285 8.584) 18.602 9.938 ( -16.691 -0.373 18.916) 25.230 10.197 ( 2.356 -0.602 6.443) 6.887 11.270 ( 2.650 24.963 -11.363) 27.556 11.658 ( 17.230 3.864 -27.176) 32.409 11.984 ( 14.749 21.090 -0.954) 25.753 12.830 ( -9.246 -0.402 -1.732) 9.415 13.457 ( -1.598 -2.009 4.262) 4.975 13.779 ( -5.727 -0.191 7.349) 9.319 14.340 ( 1.282 -1.442 -3.223) 3.757 14.838 ( 1.909 -7.219 -6.933) 10.190 17.762 ( 2.437 -6.535 23.861) 24.860 18.347 ( 8.664 -5.209 -18.909) 21.442 19.599 ( -4.992 7.834 -10.168) 13.773 20.027 ( 4.373 -0.999 -6.420) 7.832 20.421 ( 16.184 -2.224 2.018) 16.460 22.624 ( -21.853 -13.225 5.935) 26.224 24.088 ( 6.562 11.203 -3.849) 13.542 24.704 ( -8.414 -1.685 -2.345) 8.895 ======================= Grid point 655 (327/432) ======================= q-point: (-0.36 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -5.914 7.249 11.350) 14.709 2.461 ( -7.827 8.670 17.818) 21.305 3.029 ( -8.562 -3.662 -3.426) 9.922 3.120 ( -2.465 2.465 3.584) 5.000 3.363 ( 5.078 -3.004 -1.004) 5.984 3.559 ( -3.079 -12.091 -11.150) 16.733 3.806 ( 6.970 4.220 -4.097) 9.120 4.343 ( -11.994 -2.560 -2.546) 12.526 4.734 ( -0.116 4.425 10.841) 11.710 5.257 ( 8.809 -5.651 0.928) 10.507 5.389 ( 2.083 4.047 11.729) 12.581 5.805 ( 12.426 -1.067 -2.805) 12.783 6.704 ( 1.922 -3.417 10.062) 10.799 7.276 ( -7.946 -13.525 7.617) 17.438 7.593 ( 3.881 2.263 -5.313) 6.958 8.395 ( -11.166 -19.437 8.488) 23.970 9.367 ( -5.151 5.125 15.001) 16.668 9.739 ( -5.370 -11.890 15.085) 19.945 9.930 ( -21.145 -6.447 19.186) 29.271 10.318 ( 8.521 7.873 6.378) 13.239 10.975 ( 1.769 22.214 -8.875) 23.987 11.558 ( 17.553 2.337 -26.196) 31.619 11.910 ( 8.682 25.351 -5.623) 27.380 12.652 ( -14.259 -0.747 -2.810) 14.553 13.506 ( -1.780 1.410 7.893) 8.213 13.806 ( -0.612 2.880 6.378) 7.025 14.328 ( -0.546 -0.432 -1.425) 1.586 14.804 ( 0.053 -7.672 -11.929) 14.184 17.964 ( 8.196 -1.169 -6.763) 10.690 18.475 ( 9.805 -13.011 6.561) 17.564 19.320 ( -8.249 5.630 -12.940) 16.346 19.955 ( -3.225 -0.046 -6.977) 7.686 20.752 ( 25.977 0.114 3.748) 26.246 22.491 ( -25.643 -13.593 5.065) 29.462 24.046 ( 7.505 8.402 -4.921) 12.294 24.527 ( -12.024 2.356 -3.756) 12.815 ======================= Grid point 656 (328/432) ======================= q-point: (-0.27 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -5.487 2.370 10.805) 12.348 2.502 ( -5.595 7.800 17.376) 19.851 2.921 ( -5.034 -3.231 -2.907) 6.651 3.116 ( -0.581 1.229 1.093) 1.745 3.459 ( -0.630 -7.128 -6.920) 9.955 3.490 ( 7.545 -0.423 -4.593) 8.843 3.821 ( 6.257 0.776 -5.580) 8.419 4.159 ( -11.055 -0.052 -4.492) 11.933 4.839 ( 1.614 4.587 12.234) 13.165 5.338 ( 1.283 1.211 0.716) 1.904 5.542 ( 2.572 -1.380 9.172) 9.626 5.949 ( 9.320 -2.794 -0.922) 9.774 6.875 ( 3.068 -5.050 6.631) 8.882 7.329 ( -4.819 -4.890 -0.312) 6.873 7.689 ( 6.412 -7.734 10.870) 14.801 8.524 ( -11.591 -24.245 7.610) 27.930 9.425 ( -6.413 4.149 15.713) 17.471 9.867 ( -25.192 -1.608 28.917) 38.385 10.018 ( -0.131 -16.592 6.573) 17.847 10.392 ( 10.317 18.965 3.650) 21.896 10.793 ( 3.170 14.231 -1.345) 14.641 11.489 ( 15.791 0.296 -23.887) 28.637 11.685 ( 6.426 27.494 -8.612) 29.519 12.407 ( -17.734 -1.949 -5.537) 18.680 13.561 ( -2.004 3.412 9.767) 10.538 13.850 ( 4.141 7.334 4.561) 9.578 14.294 ( -3.406 0.791 0.086) 3.497 14.719 ( 0.074 -8.884 -14.495) 17.001 17.980 ( 13.104 -0.018 -12.229) 17.924 18.765 ( -2.979 -12.589 0.873) 12.966 19.066 ( 1.897 2.023 -6.203) 6.795 19.808 ( -5.112 1.613 -7.452) 9.180 21.160 ( 28.266 1.843 6.159) 28.988 22.275 ( -29.675 -11.442 2.105) 31.874 24.043 ( 8.893 5.144 -4.506) 11.218 24.290 ( -12.843 4.609 -2.875) 13.944 ======================= Grid point 657 (329/432) ======================= q-point: (-0.18 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( -2.399 -0.661 10.790) 11.073 2.575 ( -0.533 4.099 11.387) 12.114 2.906 ( 0.668 -1.843 1.565) 2.508 3.099 ( -1.212 -1.655 -2.337) 3.109 3.357 ( -1.727 -5.551 -11.131) 12.558 3.605 ( 9.256 4.949 1.757) 10.642 3.802 ( 1.189 0.343 -7.767) 7.865 3.978 ( -5.271 2.285 -4.396) 7.234 4.967 ( 2.593 3.060 10.949) 11.661 5.322 ( -0.835 2.959 -0.352) 3.094 5.652 ( -2.914 -1.738 8.191) 8.866 6.056 ( 4.765 -3.319 -1.584) 6.020 6.968 ( -3.886 -1.962 3.343) 5.488 7.290 ( -0.021 -2.793 -2.700) 3.885 8.090 ( 9.579 -15.428 20.338) 27.266 8.649 ( -11.670 -26.044 3.552) 28.760 9.483 ( -8.390 3.006 17.329) 19.486 9.890 ( -18.777 -1.640 26.992) 32.921 10.167 ( -4.926 -8.911 1.767) 10.334 10.401 ( 12.515 18.632 2.587) 22.594 10.690 ( -3.178 17.402 -0.100) 17.690 11.401 ( 11.240 0.428 -17.939) 21.174 11.594 ( 21.097 17.342 -4.002) 27.602 12.093 ( -19.414 -3.263 -10.079) 22.117 13.607 ( -2.635 5.078 9.554) 11.136 13.883 ( 6.158 10.213 1.848) 12.068 14.232 ( -5.689 -0.137 0.786) 5.744 14.645 ( 1.387 -8.366 -13.068) 15.579 18.064 ( 16.062 0.113 -6.508) 17.331 18.510 ( -17.207 -1.390 -16.022) 23.552 19.262 ( 8.967 -7.953 4.754) 12.894 19.649 ( -1.874 2.730 -7.323) 8.037 21.585 ( 23.981 2.037 9.157) 25.751 21.962 ( -27.768 -7.093 -1.862) 28.720 24.067 ( -11.195 4.535 -1.400) 12.160 24.092 ( 9.541 2.183 -3.010) 10.240 ======================= Grid point 658 (330/432) ======================= q-point: (-0.09 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 0.809 -2.440 8.891) 9.255 2.665 ( 3.756 2.268 5.176) 6.786 2.982 ( 4.172 -2.008 0.776) 4.695 3.064 ( -1.344 -1.933 -2.816) 3.671 3.290 ( -0.954 -4.145 -3.481) 5.496 3.637 ( -3.381 3.445 0.204) 4.831 3.671 ( 2.459 5.332 -9.594) 11.248 3.931 ( 6.120 3.295 -1.893) 7.204 5.090 ( 1.849 1.270 8.018) 8.326 5.260 ( -2.124 2.277 -3.416) 4.623 5.680 ( -8.788 -1.065 8.568) 12.319 6.087 ( 0.641 -2.740 -3.599) 4.568 6.895 ( -11.481 -0.152 2.771) 11.812 7.313 ( 2.554 -1.649 -2.008) 3.644 8.536 ( -2.434 -18.886 14.003) 23.637 8.775 ( -2.161 -22.762 6.982) 23.906 9.549 ( -10.169 1.353 19.215) 21.782 10.007 ( -9.313 3.650 6.395) 11.872 10.052 ( -10.442 4.280 13.810) 17.835 10.395 ( -4.715 11.080 -10.158) 15.754 10.513 ( 11.696 13.389 6.085) 18.790 11.408 ( 15.744 0.910 -16.764) 23.016 11.748 ( -8.269 -2.705 -8.051) 11.854 11.843 ( 19.588 4.007 3.750) 20.343 13.611 ( -3.427 6.654 6.742) 10.074 13.876 ( 4.874 9.744 -1.246) 10.966 14.184 ( -6.285 -2.628 2.951) 7.424 14.597 ( 2.375 -4.641 -9.991) 11.269 18.089 ( -18.493 -0.141 -16.433) 24.740 18.252 ( 17.387 0.291 0.340) 17.393 19.338 ( -7.806 -2.227 -0.842) 8.161 19.641 ( 10.858 -0.737 -3.400) 11.401 21.538 ( -29.174 -5.039 -2.620) 29.722 22.065 ( 25.571 2.939 9.745) 27.522 23.890 ( -8.678 2.885 -1.190) 9.222 24.185 ( 9.826 0.563 -1.325) 9.931 ======================= Grid point 662 (331/432) ======================= q-point: ( 0.27 -0.73 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 2.151 -0.000 0.514) 2.212 2.452 ( -1.871 0.000 8.301) 8.509 2.849 ( 3.365 -0.000 -9.816) 10.377 3.209 ( -0.048 0.000 -3.407) 3.407 3.614 ( 3.163 -0.000 1.489) 3.496 3.718 ( -15.694 0.000 10.028) 18.625 4.042 ( -8.585 0.000 -0.578) 8.605 4.469 ( 6.978 -0.000 7.890) 10.533 4.510 ( -11.159 0.000 1.682) 11.285 4.753 ( 4.600 -0.000 -1.129) 4.736 5.121 ( -7.335 0.000 8.135) 10.954 5.751 ( 6.866 -0.000 -13.982) 15.576 6.443 ( -9.113 0.000 12.497) 15.467 7.146 ( -6.144 0.000 -1.804) 6.404 7.652 ( -1.192 0.000 -11.215) 11.278 8.803 ( -22.504 0.000 -4.908) 23.033 9.150 ( -5.313 0.000 19.197) 19.918 9.341 ( -7.609 0.000 1.188) 7.701 10.012 ( 5.185 -0.000 -5.755) 7.746 10.067 ( -21.819 0.000 22.006) 30.990 11.795 ( 10.538 -0.000 -1.078) 10.593 11.853 ( 27.680 -0.000 -29.718) 40.612 11.959 ( 16.343 -0.000 -0.677) 16.357 12.983 ( -1.795 0.000 -2.778) 3.307 13.313 ( -2.972 0.000 -2.887) 4.144 13.851 ( -8.798 0.000 3.628) 9.516 14.332 ( 4.256 -0.000 -8.694) 9.680 14.527 ( 6.032 -0.000 13.642) 14.916 17.076 ( -9.801 0.000 26.253) 28.023 18.589 ( 2.694 -0.000 -16.910) 17.123 19.773 ( 10.097 -0.000 -1.425) 10.197 19.825 ( 8.377 -0.000 7.997) 11.582 20.367 ( -3.050 0.000 -12.061) 12.441 22.782 ( -18.964 0.000 5.258) 19.680 24.234 ( 9.820 -0.000 4.229) 10.692 24.642 ( 1.448 -0.000 -0.550) 1.549 ======================= Grid point 664 (332/432) ======================= q-point: (-0.64 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 2.359 2.798 7.036) 7.931 2.556 ( -2.329 2.647 13.582) 14.032 2.845 ( 8.330 -3.866 -5.805) 10.864 3.187 ( 1.907 -3.360 -4.989) 6.310 3.513 ( -19.557 3.039 2.650) 19.969 3.583 ( -11.488 -4.105 -0.756) 12.223 3.963 ( -3.012 2.514 -0.285) 3.934 4.460 ( -4.667 -1.711 6.325) 8.045 4.624 ( 2.752 0.627 6.539) 7.122 4.794 ( 3.894 -2.324 -1.040) 4.652 5.197 ( -0.097 1.163 12.848) 12.901 5.698 ( 9.759 1.244 -13.124) 16.402 6.482 ( -6.240 0.527 12.693) 14.154 7.053 ( -9.128 -4.976 -0.011) 10.397 7.589 ( 3.063 -2.070 -4.527) 5.845 8.449 ( -20.541 0.125 -5.314) 21.218 9.286 ( -4.185 0.537 12.806) 13.483 9.313 ( -7.050 -5.262 9.505) 12.951 10.002 ( -18.682 2.304 18.530) 26.414 10.065 ( 1.821 -1.939 2.718) 3.804 11.784 ( 16.165 5.085 -25.489) 30.608 11.849 ( 11.232 5.166 -12.785) 17.785 12.178 ( 21.528 10.225 -0.311) 23.835 12.904 ( -5.591 -0.933 -2.201) 6.080 13.312 ( 0.204 -4.836 1.270) 5.004 13.781 ( -10.210 -0.727 6.298) 12.018 14.298 ( 4.157 -2.343 -8.675) 9.900 14.706 ( 2.200 -1.598 6.805) 7.328 17.321 ( -4.945 -1.907 32.146) 32.580 18.428 ( 5.043 -1.229 -21.487) 22.105 19.912 ( 9.431 2.389 -4.610) 10.765 19.939 ( 7.513 3.517 0.455) 8.308 20.219 ( -0.082 -4.396 -8.377) 9.460 22.607 ( -19.563 -3.581 6.269) 20.853 24.323 ( 4.460 8.426 1.397) 9.636 24.656 ( -1.707 -5.828 -1.327) 6.217 ======================= Grid point 665 (333/432) ======================= q-point: (-0.55 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( -3.295 3.927 10.156) 11.376 2.612 ( -3.775 8.679 12.564) 15.729 2.970 ( 5.133 -4.345 1.214) 6.834 3.199 ( 3.055 -0.330 -2.933) 4.248 3.292 ( -12.652 -2.495 0.998) 12.935 3.431 ( -12.148 -8.656 -5.303) 15.832 3.903 ( 1.097 3.251 -3.628) 4.993 4.447 ( -7.882 0.757 2.917) 8.439 4.704 ( -0.187 1.080 7.620) 7.698 4.925 ( 8.421 -6.185 3.274) 10.949 5.341 ( 1.735 3.146 12.804) 13.298 5.707 ( 11.835 0.631 -8.923) 14.835 6.555 ( -3.225 -0.056 11.598) 12.038 7.003 ( -9.936 -9.722 3.155) 14.255 7.627 ( 3.908 -0.789 -1.379) 4.218 8.187 ( -15.192 -5.484 -1.696) 16.240 9.347 ( -3.713 -7.217 6.504) 10.400 9.417 ( -6.495 1.468 17.703) 18.914 9.938 ( -25.231 0.178 23.897) 34.752 10.181 ( 8.724 -1.054 2.956) 9.272 11.627 ( 10.759 12.196 -21.281) 26.784 11.735 ( 11.061 8.653 -20.910) 25.188 12.322 ( 18.962 17.574 -1.464) 25.895 12.806 ( -8.256 -2.718 -2.809) 9.134 13.399 ( 1.145 -3.842 5.089) 6.479 13.753 ( -7.423 -2.553 7.760) 11.037 14.283 ( 3.399 -4.181 -7.819) 9.496 14.766 ( -2.235 -1.780 1.737) 3.344 17.673 ( -0.589 -3.782 30.773) 31.010 18.272 ( 7.375 -3.354 -22.780) 24.178 19.743 ( -5.613 8.455 -11.738) 15.517 20.002 ( 1.651 -2.013 -4.912) 5.559 20.361 ( 21.173 -4.185 -0.887) 21.601 22.466 ( -20.129 -5.850 7.315) 22.201 24.275 ( 2.407 10.600 -2.058) 11.063 24.638 ( -6.128 -5.743 -2.521) 8.768 ======================= Grid point 666 (334/432) ======================= q-point: (-0.45 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -10.199 2.964 9.287) 14.109 2.618 ( -4.649 10.171 13.805) 17.766 2.980 ( -7.477 -1.952 -1.266) 7.831 3.176 ( -2.915 3.644 3.688) 5.948 3.304 ( 6.064 -3.427 0.391) 6.977 3.354 ( -2.641 -11.851 -6.671) 13.854 3.863 ( 5.548 1.356 -7.483) 9.413 4.313 ( -11.124 -0.035 -2.167) 11.333 4.801 ( 1.215 3.539 11.443) 12.039 5.138 ( 7.887 -7.950 2.771) 11.536 5.466 ( 1.433 4.596 11.376) 12.353 5.790 ( 11.030 -0.851 -3.733) 11.676 6.660 ( -0.512 -1.898 10.013) 10.205 7.038 ( -7.174 -13.000 6.445) 16.187 7.635 ( 2.638 2.628 -3.160) 4.884 8.113 ( -11.850 -14.009 4.050) 18.790 9.442 ( -5.115 0.976 13.765) 14.717 9.543 ( -2.047 -6.843 13.387) 15.173 9.880 ( -27.412 -1.376 26.333) 38.036 10.371 ( 11.483 0.066 5.964) 12.940 11.372 ( 5.440 22.317 -15.929) 27.953 11.586 ( 13.621 2.120 -25.329) 28.837 12.332 ( 13.536 22.149 -5.760) 26.589 12.642 ( -13.059 -0.023 -3.965) 13.647 13.503 ( -0.512 -0.929 8.528) 8.593 13.814 ( 0.043 -2.512 7.598) 8.003 14.279 ( 2.176 -4.722 -6.099) 8.015 14.721 ( -5.766 -2.022 -2.887) 6.758 17.956 ( 6.062 0.442 2.806) 6.694 18.266 ( 7.050 -11.291 1.531) 13.400 19.430 ( -8.908 6.738 -14.369) 18.200 19.938 ( -3.395 -1.779 -6.186) 7.278 20.733 ( 29.616 -2.044 1.177) 29.709 22.323 ( -22.306 -6.654 6.622) 24.201 24.191 ( 2.968 8.697 -3.839) 9.959 24.527 ( -9.895 -2.124 -3.911) 10.850 ======================= Grid point 667 (335/432) ======================= q-point: (-0.36 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( -8.520 1.429 8.873) 12.384 2.638 ( -5.192 8.317 13.871) 16.986 2.872 ( -4.634 -2.319 -2.724) 5.854 3.149 ( -3.489 1.834 2.246) 4.536 3.325 ( -0.623 -7.305 -8.854) 11.496 3.470 ( 7.377 -2.403 5.550) 9.539 3.851 ( 9.682 2.065 -10.411) 14.366 4.141 ( -10.375 -1.432 -3.601) 11.075 4.919 ( 1.679 4.553 11.673) 12.641 5.296 ( 4.123 -5.639 0.389) 6.996 5.564 ( 0.135 3.621 10.620) 11.222 5.907 ( 8.033 -2.168 -0.831) 8.362 6.796 ( 1.373 -4.370 7.827) 9.069 7.157 ( -4.121 -13.322 5.156) 14.868 7.635 ( 4.037 0.238 1.616) 4.355 8.160 ( -10.511 -18.749 4.865) 22.038 9.503 ( -7.835 4.536 16.952) 19.218 9.773 ( 2.260 -11.465 11.184) 16.175 9.838 ( -27.767 -2.212 28.479) 39.837 10.594 ( 12.562 5.079 7.582) 15.527 11.088 ( 4.560 20.659 -11.638) 24.146 11.484 ( 13.916 -0.256 -23.967) 27.715 12.170 ( 8.963 27.966 -10.995) 31.358 12.389 ( -17.259 -0.087 -4.734) 17.897 13.590 ( -2.751 0.413 10.454) 10.818 13.946 ( 6.985 3.122 6.639) 10.129 14.276 ( -0.308 -3.728 -3.492) 5.117 14.598 ( -6.841 -4.230 -7.772) 11.184 17.985 ( 12.787 0.698 -11.672) 17.327 18.552 ( 1.164 -12.103 10.381) 15.988 19.115 ( -6.246 3.334 -11.704) 13.679 19.817 ( -4.127 -0.364 -7.510) 8.577 21.176 ( 31.699 -0.003 3.625) 31.906 22.124 ( -25.703 -6.327 3.949) 26.763 24.135 ( 4.556 5.643 -3.933) 8.250 24.341 ( -11.411 1.444 -3.815) 12.118 ======================= Grid point 668 (336/432) ======================= q-point: (-0.27 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -2.635 0.006 9.344) 9.709 2.643 ( -2.379 3.620 6.333) 7.673 2.880 ( 2.483 -0.955 2.702) 3.792 3.100 ( -4.746 1.526 1.714) 5.272 3.261 ( -1.335 -5.585 -8.638) 10.372 3.629 ( 1.342 -2.128 6.796) 7.247 3.837 ( 11.202 3.733 -12.736) 17.367 3.998 ( -4.027 0.231 -4.611) 6.126 5.028 ( 1.443 3.821 10.382) 11.156 5.344 ( 0.014 -1.158 -1.506) 1.899 5.642 ( -3.122 1.216 9.753) 10.313 6.003 ( 4.129 -2.932 -0.834) 5.133 6.917 ( -1.627 -4.143 5.007) 6.699 7.204 ( -3.816 -7.874 -1.197) 8.832 7.859 ( 10.382 -10.842 12.541) 19.560 8.246 ( -8.119 -21.201 1.969) 22.788 9.544 ( -10.763 3.853 18.093) 21.401 9.847 ( -22.213 -3.026 28.525) 36.280 9.993 ( -0.201 -10.017 7.409) 12.461 10.714 ( 8.771 16.061 2.556) 18.478 10.939 ( 3.748 12.286 -2.206) 13.033 11.405 ( 13.338 0.065 -21.056) 24.925 11.940 ( 10.165 21.743 -9.363) 25.763 12.086 ( -15.389 3.928 -7.893) 17.735 13.662 ( -3.629 1.308 10.934) 11.595 14.056 ( 7.703 9.809 3.735) 13.019 14.235 ( -5.895 -0.054 -0.201) 5.899 14.486 ( -0.884 -9.686 -10.636) 14.412 18.068 ( 16.005 0.340 -6.172) 17.157 18.485 ( -15.255 -1.633 -12.437) 19.750 19.129 ( 6.135 -7.589 5.871) 11.388 19.682 ( -1.203 1.173 -8.560) 8.724 21.622 ( 24.460 2.143 6.737) 25.461 21.852 ( -22.106 -5.550 -0.443) 22.796 24.118 ( -4.146 1.941 -2.294) 5.120 24.151 ( -0.536 4.106 -2.868) 5.037 ======================= Grid point 669 (337/432) ======================= q-point: (-0.18 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 0.457 -0.779 8.342) 8.391 2.696 ( 5.616 1.240 3.357) 6.659 2.948 ( 2.730 -1.670 -1.754) 3.650 3.061 ( -2.229 1.743 3.508) 4.507 3.220 ( -0.687 -4.456 -2.457) 5.135 3.630 ( -12.024 -2.563 2.713) 12.590 3.790 ( 10.896 6.085 -14.171) 18.883 3.981 ( 8.508 3.013 -1.077) 9.090 5.121 ( 0.334 2.197 8.051) 8.353 5.293 ( -2.997 1.020 -3.732) 4.894 5.670 ( -7.890 0.268 8.817) 11.835 6.038 ( 0.480 -2.886 -2.674) 3.963 6.885 ( -11.315 -1.266 1.943) 11.550 7.251 ( 2.498 -6.236 0.174) 6.720 8.214 ( -1.710 -17.835 4.199) 18.402 8.408 ( 7.019 -20.510 8.180) 23.169 9.572 ( -13.430 1.289 19.901) 24.043 9.957 ( -13.374 -4.501 26.263) 29.814 10.070 ( -3.930 -2.591 1.071) 4.827 10.701 ( -0.552 18.217 -3.777) 18.613 10.729 ( -1.816 12.923 -1.213) 13.106 11.424 ( 19.653 0.775 -16.045) 25.383 11.721 ( -14.821 1.994 -10.191) 18.097 11.987 ( 21.517 12.120 1.069) 24.719 13.709 ( -4.070 4.121 9.653) 11.258 14.042 ( 0.136 8.431 -1.205) 8.518 14.150 ( -4.953 -0.294 0.063) 4.963 14.503 ( 5.926 -5.991 -6.304) 10.524 18.089 ( -18.256 0.172 -15.917) 24.221 18.258 ( 17.228 0.402 0.598) 17.243 19.283 ( -3.123 -4.299 2.984) 6.094 19.629 ( 8.635 -0.606 -6.125) 10.604 21.460 ( -28.671 -3.839 -1.696) 28.977 22.110 ( 28.782 2.228 6.923) 29.686 23.944 ( -9.451 3.357 -1.669) 10.168 24.197 ( 7.587 0.774 -0.694) 7.658 ======================= Grid point 670 (338/432) ======================= q-point: (-0.09 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -0.959 -1.087 5.151) 5.351 2.826 ( 10.527 3.263 2.491) 11.299 2.933 ( -0.550 -1.971 -4.390) 4.844 3.080 ( 1.872 0.177 -0.612) 1.978 3.249 ( -3.059 -3.635 3.491) 5.896 3.540 ( -5.825 -2.880 4.629) 7.979 3.703 ( 9.485 7.656 -14.225) 18.734 4.085 ( 9.502 4.271 2.123) 10.632 5.145 ( -4.889 0.824 -2.714) 5.652 5.193 ( -3.787 1.460 1.771) 4.429 5.626 ( -12.189 0.022 7.130) 14.121 6.008 ( -1.392 -2.566 -5.207) 5.970 6.742 ( -15.012 -1.583 2.806) 15.353 7.326 ( 3.166 -1.089 -0.278) 3.360 8.266 ( -8.822 -19.777 -3.621) 21.956 8.837 ( 9.792 -17.492 10.319) 22.546 9.624 ( -14.082 -0.200 20.690) 25.028 9.956 ( -9.570 9.832 0.748) 13.741 10.101 ( -10.229 -2.545 12.446) 16.310 10.314 ( -8.333 13.440 -3.918) 16.292 10.814 ( 10.682 0.160 1.459) 10.782 11.327 ( -6.354 7.468 -8.081) 12.706 11.599 ( 19.752 -2.377 -17.835) 26.718 12.297 ( 23.422 3.489 9.444) 25.494 13.692 ( -3.041 7.656 5.103) 9.691 13.948 ( -2.619 4.970 -1.704) 5.870 14.110 ( -5.275 -2.423 2.366) 6.269 14.554 ( 7.004 1.137 -4.687) 8.504 17.671 ( -19.150 -0.103 -13.098) 23.201 18.527 ( 17.464 0.257 6.518) 18.643 19.209 ( -6.501 1.037 -3.255) 7.344 19.727 ( 7.800 -1.274 -1.764) 8.098 21.107 ( -23.428 -4.687 -4.967) 24.403 22.540 ( 24.581 3.120 10.352) 26.854 23.788 ( -6.879 2.254 -2.718) 7.732 24.303 ( 8.015 -0.261 1.297) 8.124 ======================= Grid point 675 (339/432) ======================= q-point: ( 0.36 -0.64 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -4.530 0.000 9.283) 10.329 2.696 ( -0.216 0.000 9.843) 9.846 2.939 ( 9.052 -0.000 4.180) 9.971 3.168 ( 4.606 -0.000 -4.880) 6.710 3.285 ( -18.464 0.000 4.013) 18.895 3.357 ( -11.283 0.000 -5.850) 12.710 3.924 ( -2.427 0.000 -3.812) 4.519 4.464 ( -5.129 0.000 2.239) 5.596 4.723 ( 0.742 -0.000 9.298) 9.327 4.855 ( 6.071 -0.000 2.856) 6.710 5.370 ( 1.926 -0.000 13.520) 13.657 5.711 ( 11.409 -0.000 -9.899) 15.105 6.555 ( -4.016 0.000 11.697) 12.367 6.918 ( -9.431 0.000 2.616) 9.787 7.619 ( 4.192 -0.000 1.172) 4.352 8.143 ( -16.534 0.000 -4.707) 17.191 9.268 ( -2.178 0.000 5.765) 6.163 9.446 ( -7.408 0.000 19.985) 21.314 9.940 ( -26.930 0.000 24.649) 36.507 10.170 ( 10.226 -0.000 1.250) 10.302 11.689 ( 14.864 -0.000 -28.235) 31.908 11.861 ( 8.595 -0.000 -15.284) 17.534 12.503 ( 21.888 -0.000 -2.499) 22.030 12.757 ( -11.248 0.000 -1.923) 11.411 13.362 ( 4.511 -0.000 4.866) 6.636 13.724 ( -9.695 0.000 7.780) 12.430 14.242 ( 3.940 -0.000 -8.495) 9.364 14.755 ( -3.546 0.000 4.509) 5.737 17.641 ( -1.803 0.000 33.111) 33.160 18.243 ( 7.050 -0.000 -24.045) 25.057 19.833 ( -6.737 0.000 -14.153) 15.674 19.974 ( -1.001 0.000 -2.285) 2.495 20.317 ( 25.377 -0.000 -2.190) 25.472 22.418 ( -19.319 0.000 7.754) 20.817 24.396 ( -0.319 0.000 -0.244) 0.402 24.558 ( -4.159 0.000 -3.713) 5.575 ======================= Grid point 677 (340/432) ======================= q-point: (-0.55 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( -10.796 0.529 7.375) 13.085 2.770 ( -0.535 6.026 8.518) 10.447 2.985 ( -9.172 3.829 2.051) 10.148 3.129 ( -10.586 -10.217 0.818) 14.735 3.242 ( 5.768 -0.597 -1.670) 6.035 3.284 ( 6.478 0.931 2.174) 6.896 3.849 ( 1.286 -1.653 -6.868) 7.180 4.339 ( -9.438 1.868 -4.171) 10.486 4.855 ( 2.411 2.745 11.447) 12.016 5.015 ( 6.806 -5.539 4.491) 9.858 5.529 ( 1.196 2.423 12.261) 12.555 5.774 ( 10.317 -0.825 -5.058) 11.520 6.639 ( -2.548 -0.671 10.305) 10.637 6.881 ( -5.865 -5.007 5.349) 9.385 7.679 ( 2.352 2.112 1.148) 3.363 7.938 ( -12.364 -6.185 -1.091) 13.868 9.372 ( 2.605 -3.613 8.871) 9.926 9.549 ( -9.722 1.797 19.968) 22.282 9.866 ( -28.502 -0.344 26.952) 39.229 10.359 ( 13.487 -0.737 4.182) 14.140 11.564 ( 14.295 1.704 -26.360) 30.035 11.712 ( 5.273 9.365 -19.660) 22.406 12.561 ( -7.259 4.057 -1.610) 8.470 12.681 ( 8.478 4.405 -6.081) 11.325 13.509 ( 6.417 1.970 7.160) 9.814 13.728 ( -4.757 -5.952 7.906) 10.980 14.214 ( 3.187 -2.140 -6.453) 7.509 14.712 ( -8.521 0.113 1.981) 8.748 17.980 ( 2.421 2.077 19.997) 20.250 18.114 ( 8.250 -6.076 -12.904) 16.476 19.521 ( -11.188 3.348 -15.648) 19.526 19.907 ( -3.186 -1.376 -5.319) 6.351 20.700 ( 32.627 -1.277 -0.338) 32.654 22.256 ( -20.095 -1.767 7.027) 21.361 24.326 ( -1.223 6.718 -2.950) 7.438 24.466 ( -7.163 -4.517 -4.019) 9.374 ======================= Grid point 678 (341/432) ======================= q-point: (-0.45 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( -8.144 0.622 6.924) 10.708 2.763 ( -6.435 4.936 5.231) 9.651 2.862 ( -3.931 2.769 1.946) 5.187 3.114 ( -2.801 -6.727 -0.096) 7.287 3.267 ( -2.378 0.733 -1.093) 2.718 3.430 ( 6.266 -1.783 6.177) 8.977 3.861 ( 10.838 -1.092 -8.174) 13.618 4.134 ( -9.763 0.787 -6.153) 11.567 4.985 ( 2.147 3.302 10.324) 11.049 5.186 ( 4.699 -6.427 2.504) 8.346 5.634 ( -0.354 4.089 10.477) 11.252 5.872 ( 6.997 -2.119 -0.792) 7.353 6.733 ( -1.587 -2.853 8.763) 9.351 6.957 ( -1.984 -9.065 5.339) 10.705 7.666 ( 1.046 3.237 -0.128) 3.404 7.902 ( -7.655 -12.034 2.530) 14.484 9.551 ( -1.400 0.075 13.570) 13.642 9.642 ( -4.072 -3.143 15.525) 16.355 9.810 ( -29.397 -1.178 30.019) 42.032 10.624 ( 16.229 0.044 6.737) 17.572 11.400 ( 4.188 13.657 -18.637) 23.482 11.486 ( 11.317 1.126 -23.803) 26.381 12.393 ( -11.364 1.392 -2.834) 11.794 12.573 ( 4.427 17.371 -10.743) 20.899 13.606 ( -2.296 2.861 10.223) 10.861 13.910 ( 9.487 -8.094 5.543) 13.647 14.210 ( 2.321 -2.121 -4.404) 5.411 14.577 ( -12.265 0.515 -0.850) 12.305 18.003 ( 12.851 1.341 -13.264) 18.517 18.379 ( 1.674 -7.982 17.882) 19.654 19.166 ( -11.256 2.510 -14.243) 18.327 19.803 ( -3.036 -1.004 -7.184) 7.864 21.165 ( 34.831 -0.905 1.745) 34.887 22.058 ( -22.557 -1.999 4.072) 23.009 24.225 ( -0.317 5.019 -3.540) 6.150 24.341 ( -8.655 -1.398 -3.810) 9.559 ======================= Grid point 679 (342/432) ======================= q-point: (-0.36 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( -0.752 0.977 7.590) 7.689 2.682 ( -3.040 0.888 -0.252) 3.177 2.887 ( 1.857 1.966 5.206) 5.867 3.129 ( -1.708 0.207 2.077) 2.697 3.185 ( -5.847 -2.110 -2.653) 6.759 3.568 ( -2.143 -4.182 7.163) 8.567 3.899 ( 8.872 3.008 -12.347) 15.498 3.993 ( 2.684 -0.528 -4.643) 5.389 5.084 ( 0.643 2.596 8.381) 8.797 5.286 ( 0.836 -4.938 -0.273) 5.016 5.691 ( -3.012 3.992 9.545) 10.776 5.959 ( 3.273 -2.384 0.302) 4.061 6.837 ( -1.743 -4.906 6.634) 8.433 7.043 ( -4.005 -9.964 0.795) 10.768 7.742 ( 7.514 -3.514 6.355) 10.450 7.957 ( -3.371 -13.095 0.599) 13.535 9.603 ( -13.187 3.078 17.857) 22.411 9.799 ( -19.964 -2.584 26.466) 33.252 9.852 ( -1.186 -6.510 13.506) 15.040 10.888 ( 12.138 5.310 5.691) 14.419 11.129 ( -0.189 9.772 -11.540) 15.122 11.403 ( 14.943 -0.182 -22.318) 26.860 12.150 ( -13.816 8.529 -3.501) 16.609 12.341 ( 6.691 19.009 -12.323) 23.622 13.665 ( -4.845 -0.046 11.133) 12.142 14.156 ( 7.081 -6.956 1.554) 10.047 14.210 ( 5.349 4.451 -0.341) 6.967 14.383 ( -11.448 -1.331 -3.875) 12.159 18.075 ( 16.003 0.514 -6.252) 17.188 18.456 ( -11.957 -1.763 -6.782) 13.859 19.020 ( 0.970 -5.186 4.695) 7.063 19.691 ( -0.312 0.111 -8.857) 8.863 21.649 ( 30.476 0.906 3.955) 30.745 21.785 ( -21.892 -2.331 -0.372) 22.019 24.144 ( -5.960 1.220 -2.023) 6.411 24.210 ( -1.330 2.747 -2.921) 4.225 ======================= Grid point 680 (343/432) ======================= q-point: (-0.27 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 2.595 1.708 7.375) 8.003 2.704 ( 6.900 -0.356 0.683) 6.943 2.935 ( 0.669 0.189 -0.526) 0.872 3.113 ( -0.570 2.515 -0.250) 2.591 3.145 ( -3.020 -2.780 5.113) 6.557 3.565 ( -13.946 -4.767 4.694) 15.467 3.841 ( 9.680 0.169 -13.933) 16.967 4.051 ( 12.419 5.118 -3.092) 13.784 5.148 ( -1.523 0.713 6.445) 6.661 5.282 ( -3.344 -2.315 -2.702) 4.883 5.699 ( -6.719 3.164 8.357) 11.181 5.996 ( 0.127 -2.072 -1.120) 2.359 6.851 ( -9.839 -2.736 1.580) 10.333 7.100 ( -0.301 -11.134 2.357) 11.384 7.977 ( 2.347 -10.038 -1.492) 10.416 8.107 ( 11.236 -14.869 7.678) 20.157 9.590 ( -17.262 0.820 19.752) 26.245 9.882 ( -18.173 -4.110 27.584) 33.287 10.021 ( 3.947 -2.685 4.961) 6.884 10.842 ( -4.313 4.380 -5.470) 8.229 10.987 ( -5.585 11.335 -5.695) 13.860 11.430 ( 22.434 0.002 -16.077) 27.600 11.856 ( -9.901 13.924 -2.388) 17.251 12.220 ( 14.598 14.426 -5.879) 21.349 13.731 ( -5.420 -1.091 11.644) 12.891 14.118 ( -12.243 2.588 -0.953) 12.550 14.168 ( 0.078 -1.786 -5.842) 6.109 14.441 ( 13.463 0.430 1.509) 13.555 18.094 ( -18.282 0.464 -15.827) 24.185 18.265 ( 17.081 0.435 1.000) 17.116 19.201 ( 1.318 -5.144 8.132) 9.712 19.621 ( 6.477 -0.323 -8.735) 10.879 21.416 ( -27.419 -1.479 -3.093) 27.632 22.137 ( 32.059 0.906 4.185) 32.344 23.998 ( -9.200 2.986 -0.904) 9.715 24.209 ( 4.434 0.584 -0.396) 4.490 ======================= Grid point 681 (344/432) ======================= q-point: (-0.18 -0.64 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( 0.187 1.868 7.146) 7.388 2.857 ( 13.132 0.048 -3.591) 13.614 2.915 ( -0.961 0.372 3.595) 3.740 3.089 ( 1.857 0.988 -1.257) 2.450 3.205 ( -4.312 -1.970 3.311) 5.782 3.475 ( -8.045 -4.658 4.762) 10.445 3.806 ( 11.475 3.957 -14.853) 19.182 4.148 ( 9.657 3.813 0.854) 10.418 5.147 ( -6.895 -0.926 -1.198) 7.060 5.208 ( -4.335 -0.097 1.006) 4.451 5.645 ( -10.501 2.382 6.139) 12.395 5.971 ( -1.886 -1.616 -3.779) 4.522 6.712 ( -14.719 -1.984 1.400) 14.918 7.246 ( 3.355 -9.035 2.712) 10.012 8.002 ( -2.072 -10.744 -6.292) 12.622 8.537 ( 15.747 -17.439 7.098) 24.545 9.602 ( -16.670 -1.679 21.529) 27.281 9.967 ( -14.360 -4.776 15.609) 21.740 10.118 ( 1.655 3.137 6.893) 7.752 10.614 ( -14.927 18.199 -8.645) 25.075 10.726 ( -5.191 -7.451 -5.684) 10.713 11.531 ( 17.309 5.980 -12.917) 22.410 11.624 ( 1.363 13.488 -4.449) 14.268 12.377 ( 21.277 5.876 4.260) 22.480 13.792 ( -4.788 2.247 10.669) 11.908 13.941 ( -10.148 -1.776 -1.571) 10.421 14.116 ( -0.721 0.105 -4.200) 4.263 14.603 ( 12.548 4.881 -0.044) 13.464 17.669 ( -19.678 -0.146 -13.505) 23.867 18.532 ( 16.901 0.272 6.497) 18.109 19.236 ( -2.659 2.141 -1.128) 3.596 19.694 ( 10.042 -2.617 -2.710) 10.726 21.035 ( -25.079 -3.655 -5.549) 25.944 22.580 ( 28.656 1.509 5.407) 29.201 23.843 ( -8.280 4.304 -0.940) 9.379 24.292 ( 5.790 -1.156 2.390) 6.369 ======================= Grid point 682 (345/432) ======================= q-point: (-0.09 -0.64 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( -5.455 3.223 7.456) 9.784 2.836 ( -0.400 0.557 -8.330) 8.358 3.023 ( 0.249 1.739 2.664) 3.191 3.074 ( 1.748 1.865 -3.129) 4.041 3.216 ( 4.325 -5.482 5.656) 8.986 3.589 ( 4.597 -3.667 7.875) 9.828 3.748 ( 12.556 6.737 -13.886) 19.896 4.253 ( 6.190 2.098 3.379) 7.357 4.983 ( -11.105 0.666 -4.274) 11.918 5.166 ( -6.775 -0.039 1.672) 6.978 5.523 ( -13.117 1.665 2.899) 13.536 5.899 ( -1.748 -1.967 -6.754) 7.249 6.557 ( -15.650 -2.396 3.967) 16.322 7.363 ( 3.600 -1.806 0.648) 4.079 7.999 ( -1.551 -12.765 -6.326) 14.331 8.889 ( 7.743 -14.095 1.370) 16.140 9.636 ( -18.661 -0.261 19.932) 27.306 9.901 ( -9.538 3.087 1.030) 10.078 10.081 ( -12.969 14.520 4.412) 19.962 10.274 ( -6.473 0.618 0.623) 6.532 10.750 ( 2.232 -16.006 -3.236) 16.482 11.439 ( 2.312 18.918 4.373) 19.554 11.653 ( 22.449 -2.795 -20.751) 30.699 12.691 ( 19.149 1.260 5.991) 20.104 13.767 ( -0.288 6.366 -1.316) 6.507 13.893 ( -8.923 -3.531 10.385) 14.140 14.057 ( -2.307 0.493 -2.048) 3.124 14.678 ( 10.061 8.992 -2.856) 13.792 17.305 ( -18.918 -0.798 -5.567) 19.736 18.843 ( 15.938 -0.745 9.718) 18.682 19.126 ( -1.427 5.414 -6.813) 8.818 19.786 ( 3.221 0.430 -0.079) 3.251 20.731 ( -16.027 -6.959 -6.888) 18.782 22.980 ( 22.428 2.372 8.089) 23.959 23.687 ( -6.440 3.239 -3.471) 8.000 24.424 ( 6.416 -1.166 4.624) 7.994 ======================= Grid point 688 (346/432) ======================= q-point: ( 0.45 -0.55 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -7.202 0.000 5.929) 9.329 2.788 ( -8.218 0.000 -0.980) 8.277 2.964 ( -5.561 0.000 1.092) 5.668 2.989 ( 0.877 -0.000 6.354) 6.414 3.281 ( -3.057 0.000 0.823) 3.166 3.417 ( 4.723 -0.000 5.187) 7.015 3.843 ( 11.539 -0.000 -5.714) 12.877 4.146 ( -9.683 0.000 -8.113) 12.632 5.021 ( 2.190 -0.000 9.334) 9.587 5.119 ( 5.066 -0.000 3.775) 6.318 5.676 ( -0.841 0.000 11.074) 11.106 5.848 ( 7.029 -0.000 -1.368) 7.161 6.708 ( -3.173 0.000 9.337) 9.861 6.879 ( -1.078 0.000 4.780) 4.900 7.736 ( 2.627 -0.000 0.423) 2.661 7.758 ( -8.735 0.000 0.980) 8.790 9.535 ( 6.584 -0.000 10.528) 12.417 9.633 ( -12.381 0.000 19.290) 22.921 9.800 ( -29.805 0.000 30.078) 42.344 10.622 ( 17.787 -0.000 6.139) 18.817 11.470 ( 14.973 -0.000 -25.108) 29.234 11.546 ( -1.763 0.000 -20.556) 20.631 12.408 ( -9.102 0.000 -1.730) 9.265 12.722 ( 2.478 -0.000 -9.300) 9.625 13.696 ( -6.932 0.000 8.615) 11.058 13.757 ( 15.299 -0.000 4.106) 15.841 14.199 ( 3.588 -0.000 -2.116) 4.166 14.585 ( -13.374 0.000 0.939) 13.406 18.018 ( 13.288 -0.000 -15.899) 20.721 18.307 ( 1.214 -0.000 22.566) 22.599 19.189 ( -13.271 0.000 -15.045) 20.062 19.793 ( -2.405 0.000 -7.011) 7.412 21.156 ( 36.063 -0.000 1.082) 36.079 22.043 ( -21.314 0.000 3.883) 21.665 24.297 ( -7.858 0.000 -3.760) 8.711 24.299 ( -1.898 0.000 -3.342) 3.843 ======================= Grid point 690 (347/432) ======================= q-point: (-0.45 0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 1.858 0.744 6.129) 6.447 2.682 ( -2.474 -0.386 -3.288) 4.133 2.930 ( -0.821 2.200 3.670) 4.357 3.091 ( 0.087 -2.311 1.768) 2.911 3.199 ( -7.506 1.315 3.538) 8.402 3.512 ( -3.488 -2.013 7.372) 8.400 3.930 ( -2.360 0.777 -11.724) 11.984 3.987 ( 14.566 -0.157 -4.450) 15.231 5.117 ( 0.258 1.446 6.233) 6.404 5.209 ( 1.408 -3.252 1.321) 3.782 5.752 ( -3.082 2.531 9.106) 9.941 5.923 ( 3.024 -1.546 1.191) 3.599 6.772 ( -3.262 -2.250 8.083) 9.002 6.916 ( -2.660 -4.275 0.755) 5.091 7.722 ( 2.274 0.581 4.408) 4.994 7.803 ( 2.782 -5.366 -0.969) 6.121 9.643 ( -16.127 1.471 17.586) 23.906 9.759 ( 3.473 -1.920 12.315) 12.939 9.784 ( -22.497 -1.595 29.606) 37.218 10.935 ( 17.201 1.032 6.350) 18.365 11.238 ( -8.899 3.144 -16.904) 19.361 11.401 ( 15.868 -0.090 -22.889) 27.852 12.285 ( -4.842 5.637 -1.317) 7.547 12.565 ( -0.939 6.677 -11.881) 13.661 13.690 ( -5.663 2.870 9.077) 11.077 13.986 ( 7.632 -8.647 -1.669) 11.654 14.283 ( 10.284 2.409 3.685) 11.187 14.390 ( -15.614 0.715 -0.395) 15.635 18.083 ( 16.060 0.288 -6.715) 17.410 18.431 ( -9.096 -0.899 -1.614) 9.282 18.961 ( -3.489 -1.738 2.595) 4.683 19.690 ( 0.411 -0.107 -8.805) 8.815 21.653 ( 35.856 -0.078 2.202) 35.924 21.768 ( -23.362 -0.226 -0.866) 23.379 24.158 ( -7.780 0.408 -1.752) 7.985 24.241 ( -1.013 0.952 -2.750) 3.082 ======================= Grid point 691 (348/432) ======================= q-point: (-0.36 -0.55 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 7.081 3.364 5.916) 9.822 2.683 ( 6.778 -1.974 -1.786) 7.282 2.953 ( -1.204 1.760 0.822) 2.285 3.054 ( -1.980 -4.407 -0.461) 4.853 3.209 ( -2.076 4.944 8.256) 9.845 3.485 ( -16.153 -4.287 6.278) 17.852 3.823 ( 8.035 -1.545 -12.867) 15.248 4.127 ( 15.098 3.369 -4.523) 16.117 5.150 ( -3.043 -0.095 3.935) 4.975 5.229 ( -2.835 -3.339 -1.028) 4.499 5.760 ( -5.948 3.405 7.173) 9.921 5.967 ( -0.240 -1.392 0.828) 1.637 6.806 ( -7.412 -1.913 2.024) 7.918 6.917 ( -3.541 -9.419 2.776) 10.439 7.867 ( 6.491 -3.683 -3.680) 8.321 7.922 ( 11.655 -7.184 6.352) 15.093 9.599 ( -20.248 0.306 19.957) 28.432 9.827 ( -20.010 -2.290 27.120) 33.781 9.987 ( 8.207 -1.330 8.137) 11.633 10.883 ( -13.963 1.056 -11.867) 18.355 11.103 ( 1.280 3.538 -3.987) 5.482 11.428 ( 23.070 -0.075 -15.750) 27.934 12.129 ( -4.326 16.089 1.098) 16.697 12.415 ( 7.208 7.182 -8.480) 13.245 13.708 ( -6.553 -0.611 9.980) 11.955 14.061 ( 0.259 -8.226 -4.544) 9.401 14.163 ( -14.261 2.156 -0.942) 14.454 14.495 ( 15.589 3.801 4.732) 16.729 18.102 ( -18.505 0.394 -16.056) 24.503 18.272 ( 16.922 0.313 1.342) 16.979 19.125 ( 4.036 -3.509 12.390) 13.495 19.617 ( 5.383 -0.154 -10.203) 11.537 21.405 ( -25.862 -0.052 -5.302) 26.400 22.143 ( 34.223 0.042 1.999) 34.281 24.040 ( -7.933 1.892 0.663) 8.182 24.215 ( 1.232 0.174 -0.615) 1.388 ======================= Grid point 692 (349/432) ======================= q-point: (-0.27 -0.55 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( 2.097 4.600 6.671) 8.370 2.846 ( 13.223 -1.148 -4.177) 13.915 2.912 ( 0.353 -1.578 3.845) 4.171 3.110 ( 3.488 0.787 -0.107) 3.577 3.187 ( -9.790 0.571 3.706) 10.483 3.399 ( -6.848 -3.923 5.617) 9.687 3.830 ( 11.204 -0.651 -12.029) 16.452 4.221 ( 10.471 4.589 -2.379) 11.677 5.119 ( -7.859 -1.956 0.529) 8.116 5.184 ( -4.992 -2.579 -0.665) 5.658 5.699 ( -9.021 3.517 4.582) 10.711 5.954 ( -2.381 -0.505 -1.520) 2.869 6.678 ( -13.700 -1.960 0.271) 13.842 7.049 ( 1.652 -12.525 4.240) 13.326 7.905 ( 4.999 -1.708 -6.541) 8.408 8.277 ( 17.655 -13.100 4.197) 22.382 9.576 ( -19.438 -1.314 21.948) 29.347 9.887 ( -15.801 -4.117 19.893) 25.736 10.166 ( 6.590 2.615 4.988) 8.669 10.586 ( -15.483 -6.947 -7.934) 18.733 10.888 ( -10.602 12.060 -8.379) 18.112 11.548 ( 21.758 0.194 -18.189) 28.360 11.961 ( -2.807 21.092 4.856) 21.825 12.475 ( 16.583 4.742 0.012) 17.247 13.748 ( -8.646 -4.508 10.624) 14.421 13.970 ( -7.707 3.180 -2.036) 8.582 14.067 ( -1.513 -5.239 -3.075) 6.260 14.699 ( 14.724 5.711 2.473) 15.985 17.666 ( -20.275 -0.170 -14.027) 24.655 18.536 ( 16.169 0.197 6.507) 17.431 19.279 ( 1.984 2.787 4.320) 5.511 19.643 ( 11.061 -3.258 -5.761) 12.890 20.989 ( -25.989 -1.815 -8.127) 27.290 22.590 ( 31.115 -0.156 0.828) 31.127 23.927 ( -7.524 5.328 2.221) 9.484 24.263 ( 2.999 -2.206 2.707) 4.603 ======================= Grid point 693 (350/432) ======================= q-point: (-0.18 -0.55 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( -7.677 3.370 10.985) 13.819 2.846 ( 3.897 1.118 -6.563) 7.714 3.017 ( -16.162 -3.750 -0.266) 16.593 3.127 ( 6.146 4.775 -1.163) 7.869 3.151 ( 13.648 -2.184 4.278) 14.469 3.519 ( 7.399 -4.023 5.588) 10.107 3.840 ( 12.682 3.428 -12.137) 17.886 4.282 ( 3.657 2.070 2.045) 4.674 4.989 ( -11.053 0.050 -1.598) 11.168 5.134 ( -6.430 -3.548 -0.260) 7.349 5.568 ( -11.277 3.298 1.052) 11.797 5.883 ( -3.146 -0.010 -4.686) 5.644 6.519 ( -15.241 -2.144 3.060) 15.692 7.240 ( 4.317 -12.111 3.155) 13.239 7.888 ( 4.221 -0.420 -7.878) 8.947 8.639 ( 14.353 -14.995 -0.999) 20.781 9.601 ( -19.533 -2.691 23.828) 30.928 9.906 ( -12.406 -1.613 10.071) 16.060 10.143 ( -6.721 -3.983 -5.399) 9.496 10.487 ( -15.137 18.776 -0.741) 24.129 10.544 ( 0.744 -7.777 -0.527) 7.831 11.604 ( 20.784 -2.144 -21.524) 29.998 11.797 ( -3.345 21.940 5.419) 22.845 12.716 ( 18.042 1.244 3.389) 18.399 13.770 ( -10.502 -6.387 5.537) 13.481 13.882 ( -1.176 4.458 4.332) 6.326 14.051 ( -0.698 -2.363 -2.820) 3.745 14.831 ( 12.718 8.607 -0.794) 15.377 17.291 ( -19.479 -0.863 -5.531) 20.268 18.827 ( 14.649 -0.967 8.113) 16.774 19.247 ( 3.374 8.838 -5.307) 10.847 19.774 ( 7.158 -2.001 -0.180) 7.435 20.614 ( -20.180 -6.656 -8.288) 22.809 22.982 ( 27.080 -1.755 -0.460) 27.140 23.794 ( -7.893 8.965 2.375) 12.179 24.387 ( 4.528 -3.348 5.936) 8.182 ======================= Grid point 694 (351/432) ======================= q-point: (-0.09 -0.55 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( -14.963 2.389 12.362) 19.555 2.685 ( -11.450 2.697 -9.330) 15.014 2.941 ( 1.371 -3.020 -2.286) 4.028 3.168 ( 7.114 1.442 -0.025) 7.259 3.386 ( 9.802 -0.135 5.235) 11.113 3.740 ( 10.520 -1.940 5.339) 11.956 3.832 ( 14.567 5.808 -12.182) 19.858 4.337 ( -2.274 -1.896 6.265) 6.929 4.812 ( -12.405 2.504 0.148) 12.656 5.059 ( -6.632 -1.897 -1.813) 7.132 5.379 ( -12.105 2.738 -2.233) 12.610 5.781 ( -1.747 -1.101 -7.842) 8.109 6.399 ( -14.042 -2.520 6.963) 15.875 7.397 ( 3.881 -4.255 0.877) 5.826 7.878 ( 4.951 -3.991 -6.914) 9.394 8.825 ( 2.677 -11.299 -6.249) 13.186 9.579 ( -24.157 2.825 18.190) 30.371 9.807 ( -8.207 1.407 1.136) 8.404 10.047 ( -12.732 5.019 1.635) 13.783 10.186 ( -3.430 -1.045 0.041) 3.586 10.721 ( 6.694 -7.869 5.782) 11.839 11.642 ( -0.471 12.731 -0.101) 12.740 11.662 ( 18.902 -1.626 -18.707) 26.643 12.936 ( 11.115 0.365 0.833) 11.152 13.714 ( -5.407 -1.158 -1.145) 5.647 13.935 ( -4.735 -2.039 9.403) 10.724 14.037 ( 2.874 1.058 -0.604) 3.122 14.871 ( 10.915 12.236 -3.779) 16.827 17.069 ( -16.141 -0.523 7.201) 17.682 19.049 ( 6.948 1.639 -8.679) 11.238 19.184 ( 9.608 6.150 5.630) 12.721 19.810 ( -1.450 1.727 0.241) 2.268 20.428 ( -7.075 -10.342 -6.085) 13.929 23.324 ( 21.721 -3.554 0.148) 22.010 23.614 ( -9.225 10.818 0.295) 14.220 24.556 ( 5.204 -2.357 7.592) 9.501 ======================= Grid point 701 (352/432) ======================= q-point: (-0.45 -0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 11.385 -0.000 5.526) 12.655 2.658 ( 4.593 -0.000 -3.211) 5.604 2.992 ( 2.691 -0.000 4.852) 5.548 2.992 ( -7.881 0.000 -2.595) 8.297 3.259 ( 0.274 -0.000 8.177) 8.181 3.442 ( -18.530 0.000 6.870) 19.763 3.808 ( 7.393 -0.000 -12.763) 14.749 4.156 ( 15.851 -0.000 -4.479) 16.472 5.153 ( -3.289 0.000 2.703) 4.257 5.193 ( -2.721 0.000 -0.353) 2.744 5.793 ( -5.828 0.000 6.438) 8.684 5.954 ( -0.274 0.000 1.923) 1.942 6.807 ( -2.430 0.000 6.951) 7.364 6.814 ( -8.536 0.000 -2.000) 8.767 7.838 ( 8.512 -0.000 -3.682) 9.274 7.862 ( 10.767 -0.000 5.244) 11.976 9.602 ( -21.392 0.000 20.169) 29.401 9.808 ( -20.393 0.000 26.792) 33.670 9.976 ( 9.552 -0.000 9.232) 13.284 10.891 ( -17.233 0.000 -14.175) 22.314 11.130 ( 4.053 -0.000 -3.150) 5.133 11.428 ( 23.210 -0.000 -15.474) 27.895 12.297 ( 0.014 -0.000 2.018) 2.018 12.455 ( 1.529 -0.000 -8.973) 9.102 13.713 ( -6.703 0.000 7.830) 10.307 13.972 ( 1.008 -0.000 -2.801) 2.977 14.183 ( -14.725 0.000 -0.201) 14.726 14.530 ( 15.508 -0.000 4.998) 16.293 18.106 ( -18.637 0.000 -16.206) 24.698 18.275 ( 16.839 -0.000 1.467) 16.903 19.094 ( 4.931 -0.000 14.033) 14.874 19.616 ( 5.102 -0.000 -10.626) 11.788 21.406 ( -25.167 0.000 -6.335) 25.952 22.143 ( 34.953 -0.000 1.154) 34.972 24.057 ( -7.083 0.000 1.533) 7.247 24.216 ( -0.273 0.000 -0.878) 0.919 ======================= Grid point 702 (353/432) ======================= q-point: (-0.36 -0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 4.232 6.277 3.816) 8.478 2.793 ( 14.184 -5.414 2.149) 15.334 2.887 ( -2.569 -0.533 -2.514) 3.634 3.108 ( 4.604 -0.409 4.025) 6.129 3.217 ( -17.426 1.695 2.941) 17.754 3.354 ( 0.116 -1.316 5.297) 5.460 3.810 ( 10.356 -1.023 -10.013) 14.442 4.281 ( 11.086 2.043 -3.574) 11.826 5.098 ( -7.607 -0.202 0.663) 7.638 5.137 ( -5.499 -2.376 -1.338) 6.138 5.746 ( -8.400 1.624 3.134) 9.112 5.950 ( -2.733 -0.102 0.496) 2.780 6.654 ( -12.827 -0.681 -0.767) 12.868 6.886 ( 0.673 -5.658 4.867) 7.494 7.910 ( 9.244 1.198 -4.675) 10.427 8.113 ( 17.220 -5.751 1.346) 18.205 9.561 ( -21.171 -0.484 22.448) 30.861 9.839 ( -15.975 -1.503 19.800) 25.485 10.202 ( 10.259 1.404 7.086) 12.547 10.499 ( -21.029 -2.916 -10.491) 23.681 11.019 ( -6.372 3.729 -7.767) 10.716 11.553 ( 20.203 0.255 -17.054) 26.440 12.266 ( -1.993 13.399 5.158) 14.495 12.497 ( 11.489 -2.426 -1.306) 11.815 13.703 ( -7.790 -0.644 7.328) 10.714 13.958 ( -1.434 -4.039 -2.403) 4.914 14.025 ( -8.384 0.932 1.076) 8.504 14.770 ( 14.919 2.306 3.220) 15.436 17.664 ( -20.678 -0.083 -14.386) 25.190 18.538 ( 15.645 0.070 6.516) 16.948 19.319 ( 5.664 1.561 11.528) 12.939 19.597 ( 10.725 -1.750 -10.962) 15.435 20.971 ( -26.213 -0.462 -10.540) 28.256 22.584 ( 31.978 -0.339 -1.732) 32.027 24.003 ( -5.436 3.055 5.197) 8.117 24.226 ( 0.309 -1.740 1.967) 2.644 ======================= Grid point 703 (354/432) ======================= q-point: (-0.27 -0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( -10.546 3.491 10.315) 15.160 2.875 ( 7.994 2.048 -6.203) 10.324 2.922 ( -18.187 -6.270 2.038) 19.345 3.114 ( 11.724 -2.405 1.436) 12.054 3.224 ( 9.042 5.755 0.960) 10.761 3.465 ( 8.061 -2.366 3.058) 8.941 3.861 ( 12.407 -0.363 -8.257) 14.908 4.328 ( 2.253 3.052 0.364) 3.811 4.983 ( -11.032 -0.817 0.381) 11.069 5.068 ( -5.104 -3.438 -2.458) 6.627 5.617 ( -10.384 2.268 -0.915) 10.668 5.891 ( -4.148 0.700 -2.371) 4.829 6.488 ( -14.718 -1.399 2.487) 14.992 7.033 ( 4.394 -10.438 3.128) 11.749 7.940 ( 8.437 5.173 -5.900) 11.522 8.408 ( 16.784 -11.811 -3.644) 20.844 9.562 ( -20.636 -1.696 24.584) 32.142 9.859 ( -10.510 -3.303 11.245) 15.742 10.093 ( -19.228 -1.364 -7.120) 20.550 10.449 ( 8.199 -3.338 2.533) 9.207 10.763 ( -12.866 11.879 -1.153) 17.549 11.578 ( 18.009 -0.885 -21.605) 28.140 12.142 ( -6.525 17.789 5.879) 19.839 12.711 ( 15.350 -2.354 1.740) 15.627 13.689 ( -7.818 -2.274 6.107) 10.178 13.938 ( -0.888 0.583 -0.094) 1.067 13.986 ( -2.383 -3.509 1.017) 4.362 14.948 ( 13.620 4.987 0.263) 14.507 17.278 ( -19.914 -0.576 -5.481) 20.663 18.813 ( 13.859 -0.586 6.830) 15.462 19.410 ( 7.139 10.080 -1.044) 12.396 19.713 ( 11.069 -5.407 -1.861) 12.459 20.521 ( -24.299 -4.130 -11.413) 27.162 22.944 ( 27.471 -2.174 -5.574) 28.115 23.959 ( -4.563 9.701 7.010) 12.809 24.313 ( 1.834 -5.318 5.956) 8.193 ======================= Grid point 704 (355/432) ======================= q-point: (-0.18 -0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( -18.705 0.036 11.523) 21.970 2.690 ( -18.959 -2.983 -3.071) 19.437 2.917 ( 6.760 1.226 -3.054) 7.518 3.220 ( 6.749 3.306 -2.308) 7.861 3.386 ( 13.103 0.555 2.669) 13.384 3.672 ( 15.678 -3.936 1.034) 16.198 3.947 ( 14.940 5.186 -6.713) 17.180 4.315 ( -7.387 0.215 7.163) 10.292 4.838 ( -13.273 -0.262 1.572) 13.368 5.009 ( -2.086 -2.806 -4.083) 5.376 5.422 ( -11.177 2.023 -4.838) 12.346 5.783 ( -3.998 0.997 -5.582) 6.938 6.362 ( -13.962 -1.796 6.868) 15.664 7.233 ( 6.104 -12.562 1.908) 14.096 7.921 ( 8.250 7.576 -6.868) 13.139 8.618 ( 8.430 -13.009 -9.078) 17.964 9.575 ( -23.768 -1.894 24.805) 34.406 9.831 ( -15.762 0.324 5.352) 16.649 9.892 ( -1.946 -11.207 -3.543) 11.914 10.363 ( -9.886 9.710 -8.773) 16.401 10.708 ( 3.962 5.726 14.152) 15.772 11.583 ( 18.091 -3.691 -22.426) 29.049 11.943 ( -8.407 17.705 3.491) 19.908 12.923 ( 10.702 -2.171 0.366) 10.926 13.665 ( -7.177 -2.941 2.885) 8.275 13.935 ( -0.454 0.207 0.504) 0.709 14.014 ( 0.726 -2.730 1.806) 3.353 15.047 ( 12.703 8.415 -3.269) 15.584 17.061 ( -15.822 -0.449 8.729) 18.076 19.036 ( 12.252 -1.526 -2.709) 12.641 19.366 ( 7.033 13.617 -2.576) 15.541 19.826 ( 0.914 -0.009 -0.005) 0.914 20.235 ( -10.553 -12.290 -6.362) 17.403 23.224 ( 22.428 -5.978 -8.472) 24.708 23.862 ( -5.959 16.253 6.988) 18.669 24.485 ( 3.694 -6.212 8.521) 11.173 ======================= Grid point 705 (356/432) ======================= q-point: (-0.09 -0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -18.274 -0.452 -5.791) 19.175 2.458 ( -20.395 -3.477 11.648) 23.742 2.964 ( 5.409 0.570 -1.998) 5.794 3.266 ( 8.399 0.229 -3.284) 9.021 3.535 ( 4.604 1.355 3.523) 5.954 3.946 ( 10.619 8.080 -8.186) 15.654 3.952 ( 13.349 0.862 4.275) 14.044 4.331 ( -6.113 -2.732 9.627) 11.727 4.683 ( -14.523 0.501 4.282) 15.149 4.970 ( 1.263 -0.826 -4.463) 4.712 5.201 ( -10.014 1.143 -5.997) 11.729 5.662 ( -1.191 -0.395 -8.329) 8.423 6.315 ( -10.751 -2.047 10.979) 15.502 7.408 ( 4.005 -7.591 0.628) 8.606 7.886 ( 7.582 4.767 -8.916) 12.638 8.659 ( -0.516 -10.336 -6.444) 12.191 9.467 ( -27.368 6.080 16.196) 32.378 9.753 ( -5.052 -0.241 4.156) 6.546 9.909 ( -6.209 -5.172 -1.389) 8.200 10.159 ( -3.139 -1.501 2.424) 4.241 10.881 ( 5.973 2.372 9.768) 11.692 11.602 ( 14.156 -3.821 -19.863) 24.688 11.731 ( -3.893 10.786 -2.388) 11.713 13.015 ( 2.427 -0.882 -1.381) 2.928 13.613 ( -5.962 -3.057 -1.012) 6.776 13.906 ( -4.553 -0.396 0.275) 4.579 14.107 ( 4.208 -3.440 3.672) 6.559 15.072 ( 12.372 11.720 -6.272) 18.159 17.067 ( -9.336 1.906 21.811) 23.802 18.981 ( 4.949 4.704 -21.745) 22.792 19.436 ( 8.557 3.519 8.244) 12.392 19.789 ( -0.953 0.542 -1.195) 1.622 20.254 ( 0.144 -10.541 -1.553) 10.656 23.442 ( 15.395 -8.548 -10.048) 20.274 23.691 ( -6.949 19.555 6.889) 21.867 24.676 ( 3.350 -4.673 7.762) 9.660 ======================= Grid point 713 (357/432) ======================= q-point: (-0.36 -0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( -11.716 0.000 8.654) 14.566 2.851 ( -19.010 0.000 4.300) 19.491 2.900 ( 11.297 -0.000 -7.132) 13.360 3.087 ( 10.298 -0.000 1.539) 10.412 3.282 ( 9.616 -0.000 2.014) 9.825 3.442 ( 7.807 -0.000 1.443) 7.939 3.853 ( 12.114 -0.000 -6.840) 13.912 4.359 ( 1.900 -0.000 0.473) 1.958 4.970 ( -11.543 0.000 -0.665) 11.562 5.040 ( -3.807 0.000 -2.010) 4.305 5.637 ( -10.247 0.000 -1.716) 10.390 5.898 ( -4.489 0.000 -1.425) 4.710 6.476 ( -14.469 0.000 2.241) 14.642 6.939 ( 4.296 -0.000 3.021) 5.251 8.003 ( 9.952 -0.000 -3.200) 10.454 8.290 ( 17.238 -0.000 -6.371) 18.378 9.548 ( -20.973 0.000 24.566) 32.301 9.826 ( -10.093 0.000 9.097) 13.588 10.085 ( -24.920 0.000 -3.327) 25.141 10.421 ( 12.049 -0.000 0.762) 12.073 10.864 ( -10.823 0.000 -0.097) 10.824 11.572 ( 16.606 -0.000 -21.264) 26.980 12.319 ( -9.430 0.000 5.681) 11.009 12.668 ( 15.066 -0.000 1.610) 15.152 13.682 ( -4.734 0.000 4.292) 6.390 13.903 ( -2.426 0.000 0.026) 2.426 13.980 ( -2.549 0.000 2.342) 3.461 14.990 ( 13.804 -0.000 0.573) 13.816 17.273 ( -20.077 0.000 -5.454) 20.804 18.808 ( 13.619 -0.000 6.384) 15.040 19.542 ( 5.802 -0.000 10.999) 12.435 19.622 ( 15.527 -0.000 -12.568) 19.976 20.485 ( -26.098 0.000 -13.120) 29.210 22.924 ( 27.253 -0.000 -7.010) 28.140 24.066 ( -1.176 0.000 10.032) 10.101 24.245 ( -0.943 0.000 4.338) 4.439 ======================= Grid point 714 (358/432) ======================= q-point: (-0.27 -0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( -21.820 0.649 6.776) 22.857 2.623 ( -19.667 -3.407 3.520) 20.268 2.954 ( 7.891 1.852 -4.429) 9.237 3.243 ( 7.292 -0.179 -1.304) 7.410 3.414 ( 12.675 1.980 -0.898) 12.860 3.624 ( 17.347 -1.655 0.397) 17.431 3.990 ( 16.998 0.636 -2.921) 17.258 4.346 ( -9.662 2.233 8.364) 12.973 4.801 ( -14.333 -2.606 -0.249) 14.570 4.990 ( 1.186 0.003 -4.276) 4.438 5.444 ( -11.335 0.623 -6.452) 13.058 5.799 ( -5.132 0.650 -4.194) 6.660 6.341 ( -13.891 -0.675 7.022) 15.580 7.064 ( 6.975 -5.872 1.247) 9.202 8.072 ( 10.089 8.455 -2.709) 13.439 8.411 ( 11.073 -9.980 -13.067) 19.823 9.542 ( -20.717 -1.423 20.740) 29.349 9.730 ( -13.403 -4.447 -0.473) 14.129 9.869 ( -13.654 0.951 12.095) 18.266 10.434 ( 0.759 0.924 -14.732) 14.780 10.836 ( -2.786 5.788 16.897) 18.077 11.541 ( 16.312 -1.244 -22.398) 27.737 12.178 ( -12.925 8.411 3.686) 15.855 12.874 ( 10.993 -2.590 0.702) 11.316 13.647 ( -4.605 0.497 -0.342) 4.645 13.894 ( -2.283 -3.415 0.586) 4.150 13.997 ( 1.102 0.287 2.464) 2.715 15.144 ( 13.526 2.943 -3.127) 14.191 17.055 ( -15.630 -0.178 9.740) 18.417 19.017 ( 12.888 -0.632 -2.395) 13.124 19.606 ( 9.961 14.104 -2.949) 17.517 19.788 ( 8.378 -5.933 0.453) 10.276 20.050 ( -20.576 -7.528 -8.754) 23.594 23.152 ( 21.775 -2.272 -10.333) 24.209 24.120 ( -0.714 13.560 9.025) 16.304 24.349 ( 0.652 -9.692 8.080) 12.635 ======================= Grid point 715 (359/432) ======================= q-point: (-0.18 -0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( -22.279 -4.356 3.443) 22.961 2.397 ( -22.362 -1.862 3.441) 22.701 2.993 ( 5.387 2.527 -0.894) 6.017 3.267 ( 6.780 -0.671 -7.943) 10.465 3.553 ( 7.221 0.978 2.293) 7.639 3.916 ( 22.585 -0.957 1.449) 22.652 4.141 ( 8.164 9.652 -1.194) 12.698 4.301 ( -8.073 -0.503 12.392) 14.798 4.646 ( -15.643 -4.447 2.912) 16.521 4.965 ( 4.126 0.338 -6.441) 7.657 5.205 ( -10.744 -0.384 -8.294) 13.578 5.670 ( -3.616 0.842 -6.595) 7.568 6.290 ( -10.760 -0.999 11.640) 15.883 7.234 ( 6.777 -10.126 -0.031) 12.184 8.040 ( 8.237 12.067 -10.050) 17.733 8.474 ( 4.529 -11.825 -7.569) 14.752 9.496 ( -23.219 -1.738 19.463) 30.347 9.673 ( -9.854 -8.146 8.647) 15.435 9.848 ( -3.519 1.546 2.558) 4.617 10.209 ( -7.128 3.515 -8.708) 11.789 10.974 ( 2.463 6.720 14.338) 16.025 11.533 ( 17.273 -3.223 -21.293) 27.607 11.946 ( -12.869 11.624 0.334) 17.345 12.988 ( 3.168 -1.806 -0.917) 3.760 13.551 ( -7.043 -3.609 -4.104) 8.914 13.887 ( -3.509 -2.116 0.044) 4.098 14.061 ( 3.578 -1.426 2.613) 4.654 15.225 ( 13.506 6.216 -7.326) 16.575 17.094 ( -7.520 1.273 24.139) 25.315 19.024 ( 7.545 0.808 -23.325) 24.528 19.565 ( 2.869 11.071 5.978) 12.905 19.794 ( -0.683 0.276 -1.733) 1.883 20.052 ( 2.755 -13.238 0.512) 13.532 23.323 ( 18.033 -5.042 -10.639) 21.536 24.029 ( -4.831 19.672 6.398) 21.243 24.551 ( 1.888 -10.343 7.588) 12.966 ======================= Grid point 716 (360/432) ======================= q-point: (-0.09 -0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( -19.773 -2.429 -0.381) 19.925 2.254 ( -20.534 -8.548 10.589) 24.634 3.025 ( 5.072 2.290 -1.852) 5.865 3.304 ( 8.404 -4.050 -6.255) 11.232 3.603 ( -0.580 2.292 0.194) 2.372 3.995 ( -13.726 12.316 5.741) 19.314 4.188 ( 12.764 4.986 -0.988) 13.739 4.433 ( 11.327 -0.015 5.760) 12.708 4.538 ( -13.933 -3.829 7.024) 16.066 4.934 ( 0.942 -2.203 -7.927) 8.281 5.041 ( -3.221 -0.611 -1.878) 3.778 5.569 ( 2.022 -0.318 -7.634) 7.904 6.335 ( -6.372 -0.725 14.657) 15.999 7.387 ( 3.375 -9.616 -0.239) 10.193 7.880 ( 3.987 6.213 -16.596) 18.164 8.597 ( 4.391 -4.619 5.887) 8.676 9.348 ( -25.471 7.497 15.300) 30.644 9.762 ( -2.263 2.152 2.146) 3.789 9.784 ( -3.866 -8.526 3.613) 10.035 10.107 ( -3.962 -6.725 2.049) 8.070 11.083 ( 2.180 5.676 7.644) 9.767 11.533 ( 7.294 1.706 -15.471) 17.190 11.688 ( -3.508 4.855 -6.786) 9.051 12.979 ( -3.577 -1.222 -0.890) 3.884 13.462 ( -6.589 -7.512 -3.363) 10.543 13.842 ( -5.722 -0.254 1.574) 5.940 14.165 ( 4.043 -3.505 2.441) 5.882 15.227 ( 12.498 8.891 -11.471) 19.153 17.338 ( 0.522 5.204 29.944) 30.397 18.765 ( 2.696 0.322 -27.877) 28.009 19.641 ( 4.494 5.489 5.374) 8.900 19.809 ( 7.600 0.039 -2.230) 7.920 20.183 ( 0.429 -9.361 1.321) 9.463 23.463 ( 12.428 -2.878 -8.524) 15.342 23.822 ( -7.430 19.219 3.025) 20.826 24.709 ( -1.015 -8.988 4.088) 9.926 ======================= Grid point 725 (361/432) ======================= q-point: (-0.27 -0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -23.426 0.000 5.584) 24.082 2.383 ( -23.176 0.000 1.559) 23.228 3.021 ( 5.674 -0.000 -0.359) 5.685 3.255 ( 5.648 -0.000 -9.943) 11.435 3.564 ( 7.861 -0.000 1.679) 8.038 3.909 ( 23.689 -0.000 2.164) 23.788 4.224 ( 19.816 -0.000 -1.509) 19.874 4.314 ( -18.869 0.000 17.207) 25.537 4.588 ( -14.747 0.000 -0.079) 14.747 4.970 ( 4.344 -0.000 -6.994) 8.233 5.200 ( -11.527 0.000 -9.066) 14.665 5.678 ( -4.413 0.000 -6.031) 7.473 6.282 ( -10.769 0.000 12.041) 16.154 7.140 ( 7.516 -0.000 -0.669) 7.546 8.235 ( 3.061 -0.000 -22.619) 22.825 8.284 ( 11.984 -0.000 4.809) 12.913 9.463 ( -14.741 0.000 10.988) 18.385 9.607 ( -16.943 0.000 15.585) 23.021 9.870 ( -8.067 0.000 10.661) 13.370 10.237 ( -4.165 0.000 -15.252) 15.811 11.043 ( -0.168 0.000 15.889) 15.889 11.505 ( 17.395 -0.000 -21.040) 27.299 12.052 ( -14.907 0.000 1.091) 14.947 12.972 ( 4.951 -0.000 -0.569) 4.984 13.515 ( -8.253 0.000 -7.887) 11.416 13.862 ( -3.653 0.000 2.580) 4.472 14.053 ( 3.755 -0.000 1.416) 4.014 15.277 ( 13.903 -0.000 -7.735) 15.910 17.106 ( -6.788 0.000 25.094) 25.996 19.027 ( 8.244 -0.000 -23.166) 24.590 19.721 ( -10.071 0.000 2.986) 10.505 19.833 ( 12.436 -0.000 -5.364) 13.544 19.845 ( 1.753 -0.000 5.981) 6.232 23.280 ( 18.399 -0.000 -10.872) 21.371 24.324 ( -4.472 0.000 7.986) 9.153 24.336 ( 2.483 -0.000 5.835) 6.342 ======================= Grid point 726 (362/432) ======================= q-point: (-0.18 -0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( -23.573 -0.364 1.670) 23.635 2.128 ( -21.606 -5.134 8.819) 23.894 3.081 ( 5.452 3.626 -0.736) 6.589 3.228 ( 7.682 -4.183 -10.611) 13.751 3.631 ( 0.215 0.950 0.217) 0.998 4.182 ( -20.807 8.178 16.072) 27.534 4.259 ( 20.641 3.014 1.864) 20.943 4.435 ( 12.563 -1.095 -2.974) 12.957 4.455 ( -10.916 -3.849 6.364) 13.209 4.893 ( -1.966 -1.916 -11.791) 12.107 5.033 ( -1.515 -0.278 -1.267) 1.995 5.571 ( 0.050 0.200 -6.388) 6.391 6.330 ( -6.057 -0.012 15.935) 17.048 7.237 ( 5.532 -5.779 -1.944) 8.233 7.972 ( 0.721 3.408 -21.632) 21.911 8.547 ( 12.488 -1.348 9.435) 15.710 9.401 ( -23.037 -0.033 19.536) 30.205 9.629 ( -1.297 -5.656 6.299) 8.564 9.852 ( -8.215 5.565 6.291) 11.748 10.030 ( -6.338 -3.510 -7.453) 10.394 11.152 ( -0.879 2.177 6.516) 6.926 11.545 ( 18.093 0.265 -14.288) 23.056 11.809 ( -17.083 5.638 -3.079) 18.251 12.978 ( -1.955 1.056 -1.241) 2.545 13.328 ( -9.732 -6.455 -5.390) 12.862 13.836 ( -5.085 -0.299 2.335) 5.604 14.127 ( 4.745 -0.995 1.089) 4.969 15.328 ( 13.180 3.070 -12.719) 18.572 17.403 ( 3.177 2.174 31.147) 31.384 18.758 ( 1.452 -0.573 -30.623) 30.663 19.753 ( 4.972 4.502 7.916) 10.376 19.836 ( 4.688 5.696 -2.812) 7.895 20.006 ( 2.726 -11.158 1.008) 11.530 23.407 ( 17.170 -2.133 -9.527) 19.751 24.181 ( -6.931 21.214 3.189) 22.544 24.499 ( -3.271 -16.010 3.086) 16.629 ======================= Grid point 727 (363/432) ======================= q-point: (-0.09 -0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -15.426 -3.931 8.627) 18.106 2.057 ( -16.731 -9.002 12.722) 22.865 3.092 ( 6.143 3.651 -3.775) 8.082 3.293 ( 8.541 -6.681 -7.149) 12.988 3.543 ( -8.111 2.128 -3.732) 9.179 3.950 ( -24.349 10.522 13.994) 29.990 4.299 ( 3.468 11.946 -10.754) 16.443 4.432 ( -8.363 -4.358 8.720) 12.844 4.656 ( 10.051 -7.522 -5.087) 13.546 4.845 ( 6.719 0.108 4.040) 7.841 5.068 ( 3.510 -0.665 2.944) 4.629 5.563 ( 8.803 -0.195 -4.765) 10.012 6.468 ( -1.419 1.574 17.614) 17.741 7.332 ( 1.791 -9.363 -1.435) 9.640 7.744 ( 1.617 1.913 -16.994) 17.177 8.816 ( 8.178 5.268 14.469) 17.435 9.285 ( -20.550 6.481 17.139) 27.533 9.680 ( -1.406 -0.589 -4.717) 4.957 9.848 ( 2.182 -5.059 10.974) 12.280 9.982 ( -8.687 -9.663 3.418) 13.435 11.147 ( -2.722 2.440 -2.119) 4.225 11.408 ( -15.953 7.593 -6.851) 18.950 11.662 ( 12.439 -0.170 -9.234) 15.493 12.903 ( -6.196 0.250 -0.003) 6.201 13.273 ( -6.785 -10.483 1.305) 12.555 13.787 ( -6.131 -0.052 2.153) 6.498 14.212 ( 3.949 -2.222 0.876) 4.615 15.283 ( 10.861 5.720 -16.838) 20.837 17.793 ( 9.888 7.371 26.782) 29.485 18.475 ( 4.340 -3.950 -26.932) 27.564 19.728 ( -3.364 8.279 -1.938) 9.144 19.943 ( 15.265 -0.601 -4.728) 15.992 20.133 ( 0.084 -8.887 6.127) 10.795 23.536 ( 12.688 0.819 -6.637) 14.342 23.870 ( -11.922 20.026 -2.300) 23.419 24.576 ( -7.743 -14.552 0.546) 16.493 ======================= Grid point 737 (364/432) ======================= q-point: (-0.18 -0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -17.533 0.000 9.168) 19.786 1.973 ( -16.942 0.000 12.725) 21.189 3.171 ( 4.960 -0.000 -1.131) 5.088 3.188 ( 10.476 -0.000 -11.622) 15.647 3.562 ( -8.094 0.000 -3.514) 8.824 4.059 ( -31.030 0.000 18.326) 36.037 4.379 ( -3.239 0.000 5.694) 6.550 4.467 ( 6.760 -0.000 -12.128) 13.885 4.526 ( 4.888 -0.000 -6.282) 7.960 4.844 ( 11.523 -0.000 5.203) 12.644 5.064 ( 2.869 -0.000 2.774) 3.991 5.563 ( 8.182 -0.000 -3.879) 9.055 6.486 ( -0.775 0.000 19.273) 19.289 7.239 ( 2.822 -0.000 -3.141) 4.223 7.760 ( 0.980 -0.000 -17.752) 17.779 8.869 ( 14.432 -0.000 13.932) 20.059 9.332 ( -24.188 0.000 23.392) 33.649 9.671 ( 7.043 -0.000 -3.564) 7.893 9.824 ( -2.054 0.000 -11.222) 11.408 9.883 ( -14.336 0.000 19.803) 24.448 11.153 ( -0.489 0.000 -3.855) 3.886 11.506 ( -24.551 0.000 -5.446) 25.148 11.660 ( 15.103 -0.000 -7.968) 17.076 12.921 ( -5.684 0.000 -1.185) 5.806 13.156 ( -7.620 0.000 2.969) 8.178 13.786 ( -6.014 0.000 1.768) 6.269 14.193 ( 4.635 -0.000 0.246) 4.641 15.331 ( 11.250 -0.000 -17.561) 20.856 17.863 ( 12.531 -0.000 28.093) 30.761 18.433 ( 2.542 -0.000 -29.207) 29.317 19.844 ( -5.687 0.000 -2.883) 6.376 19.927 ( 12.658 -0.000 -8.250) 15.109 20.024 ( 4.848 -0.000 11.414) 12.401 23.526 ( 16.936 -0.000 -7.889) 18.683 24.183 ( -13.490 0.000 -9.736) 16.636 24.329 ( -9.025 0.000 7.656) 11.834 ======================= Grid point 738 (365/432) ======================= q-point: (-0.09 -0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -5.156 -2.490 16.659) 17.615 1.979 ( -10.620 -5.391 16.818) 20.608 3.155 ( 4.041 4.471 -4.294) 7.400 3.258 ( 8.769 -6.274 -8.724) 13.869 3.372 ( -11.389 1.347 -4.845) 12.450 3.864 ( -21.635 4.235 15.425) 26.906 4.250 ( -2.863 9.774 -14.587) 17.791 4.451 ( -3.658 -1.596 9.738) 10.524 4.482 ( -1.566 -7.730 -10.612) 13.222 5.132 ( 2.385 0.047 13.668) 13.875 5.165 ( 16.392 -0.047 0.754) 16.409 5.687 ( 14.240 0.386 -1.508) 14.325 6.719 ( 4.183 3.859 18.878) 19.718 7.249 ( -0.443 -6.999 -2.463) 7.433 7.631 ( 2.829 0.597 -8.225) 8.719 9.155 ( 3.308 11.008 17.235) 20.716 9.306 ( -13.128 1.840 19.692) 23.738 9.632 ( 1.399 0.975 -4.689) 4.989 9.795 ( -2.214 -12.370 -2.568) 12.827 10.007 ( -1.641 -2.463 19.294) 19.519 11.020 ( -18.648 8.942 -4.728) 21.215 11.144 ( -9.604 -6.443 -6.002) 13.029 11.719 ( 10.046 1.133 -11.174) 15.069 12.817 ( -8.201 0.896 0.356) 8.258 13.187 ( -3.695 -6.235 8.813) 11.410 13.721 ( -5.609 -0.482 0.382) 5.643 14.250 ( 3.009 -0.902 -0.100) 3.143 15.234 ( 8.437 2.722 -20.238) 22.095 18.153 ( 7.367 5.897 -17.626) 19.993 18.366 ( 17.358 -4.253 12.356) 21.726 19.648 ( -9.548 5.818 -8.311) 13.931 19.937 ( 1.046 -4.002 -6.899) 8.044 20.311 ( 16.813 -1.956 9.181) 19.256 23.632 ( -0.172 8.091 -4.704) 9.361 23.754 ( -8.567 6.993 -11.406) 15.887 24.336 ( -11.427 -11.967 3.570) 16.927 ======================= Grid point 749 (366/432) ======================= q-point: (-0.09 -0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 0.665 -0.000 17.726) 17.738 2.067 ( -4.627 0.000 20.297) 20.818 3.142 ( -0.951 0.000 -1.972) 2.190 3.165 ( -9.023 0.000 -5.530) 10.583 3.289 ( 11.410 -0.000 -8.598) 14.287 3.827 ( -10.126 0.000 10.862) 14.850 4.059 ( -6.950 0.000 -13.914) 15.553 4.248 ( -7.758 0.000 -10.145) 12.771 4.573 ( 2.638 -0.000 10.228) 10.563 5.209 ( -1.255 0.000 6.088) 6.216 5.441 ( 12.329 -0.000 6.246) 13.821 5.875 ( 14.362 -0.000 -0.256) 14.364 7.024 ( 9.412 -0.000 12.574) 15.706 7.157 ( -3.405 0.000 -2.566) 4.264 7.683 ( 5.037 -0.000 9.525) 10.775 9.354 ( -20.970 0.000 30.415) 36.944 9.459 ( 9.968 -0.000 4.809) 11.067 9.549 ( -5.804 0.000 -2.059) 6.158 9.775 ( 8.478 -0.000 1.046) 8.542 10.173 ( -6.673 0.000 17.508) 18.737 10.774 ( -17.118 0.000 4.434) 17.683 10.951 ( -2.886 0.000 -10.015) 10.422 11.665 ( 5.780 -0.000 -17.111) 18.061 12.704 ( -10.786 0.000 0.035) 10.786 13.251 ( -1.421 0.000 11.708) 11.794 13.654 ( -2.450 0.000 -1.441) 2.843 14.270 ( 0.952 -0.000 -0.316) 1.003 15.106 ( 5.852 -0.000 -20.537) 21.354 18.028 ( 10.193 -0.000 -20.596) 22.980 18.785 ( 20.815 -0.000 11.058) 23.570 19.390 ( -13.216 0.000 -13.822) 19.124 19.829 ( -4.790 0.000 -4.647) 6.674 20.668 ( 22.773 -0.000 8.687) 24.373 23.254 ( -34.298 0.000 -10.376) 35.833 23.806 ( 14.987 -0.000 -6.119) 16.188 24.191 ( -11.635 0.000 4.600) 12.512 ======================= Grid point 750 (367/432) ======================= q-point: ( 0.00 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 0.005 -0.000 8.140) 8.140 2.646 ( -0.514 0.000 0.645) 0.824 2.986 ( 3.269 -0.000 0.675) 3.338 3.042 ( -0.755 0.000 -6.533) 6.576 3.335 ( 4.738 -0.000 6.347) 7.921 3.466 ( -2.091 0.000 -4.005) 4.518 3.719 ( -8.145 0.000 -1.255) 8.241 3.778 ( 3.580 -0.000 -6.465) 7.390 5.099 ( 3.573 -0.000 7.321) 8.146 5.217 ( -1.893 0.000 -4.230) 4.634 5.875 ( -5.140 0.000 9.504) 10.805 6.039 ( 5.525 -0.000 -6.431) 8.479 7.071 ( -8.804 0.000 6.105) 10.713 7.210 ( 8.205 -0.000 -7.019) 10.797 9.031 ( 7.280 -0.000 25.636) 26.650 9.462 ( -4.073 0.000 -17.455) 17.924 9.593 ( -15.822 0.000 12.760) 20.326 9.801 ( 13.722 -0.000 -7.639) 15.705 9.912 ( -5.069 0.000 17.078) 17.815 10.284 ( -2.913 0.000 -18.277) 18.508 10.582 ( -13.426 0.000 24.741) 28.149 11.028 ( 14.009 -0.000 -19.890) 24.329 11.597 ( 20.508 -0.000 17.623) 27.040 11.937 ( -19.531 0.000 -15.523) 24.949 13.592 ( -3.433 0.000 4.493) 5.654 13.651 ( 4.901 -0.000 -1.899) 5.256 14.334 ( -3.836 0.000 7.050) 8.026 14.525 ( 3.437 -0.000 -11.644) 12.141 18.028 ( 18.634 -0.000 3.779) 19.013 18.208 ( -19.279 0.000 -13.518) 23.546 19.474 ( 13.649 -0.000 0.624) 13.663 19.493 ( -11.453 0.000 -1.386) 11.537 21.770 ( 28.676 -0.000 10.806) 30.644 21.971 ( -31.889 0.000 -8.886) 33.104 23.982 ( -11.428 0.000 0.861) 11.460 24.005 ( 12.293 -0.000 -1.681) 12.408 ======================= Grid point 751 (368/432) ======================= q-point: ( 0.09 0.00 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( -1.046 2.634 -1.973) 3.453 2.666 ( 4.045 -1.958 1.182) 4.647 2.954 ( -3.125 -0.137 -2.041) 3.735 3.044 ( 3.670 -0.421 0.348) 3.710 3.361 ( -2.424 -0.165 -7.903) 8.268 3.453 ( 3.478 1.816 3.546) 5.288 3.671 ( -3.702 -0.236 6.492) 7.477 3.844 ( 9.011 -3.920 0.468) 9.837 5.121 ( -3.530 -0.804 -6.988) 7.870 5.203 ( 1.281 -0.635 4.559) 4.778 5.867 ( -10.341 0.748 7.587) 12.847 5.994 ( 1.359 0.880 -8.515) 8.668 7.004 ( -12.566 0.738 6.705) 14.262 7.224 ( 5.349 -0.765 -5.780) 7.912 8.973 ( -15.142 22.076 -13.349) 29.914 9.256 ( -1.979 7.084 11.059) 13.282 9.632 ( -9.863 -11.985 8.165) 17.538 9.922 ( 4.471 -4.286 -12.116) 13.607 10.087 ( -4.091 -1.502 11.040) 11.869 10.141 ( 5.819 -11.015 2.908) 12.792 10.733 ( -1.036 1.688 19.357) 19.458 11.024 ( 19.662 -0.362 -20.638) 28.507 11.522 ( -12.185 2.404 -17.682) 21.608 12.078 ( 23.247 0.657 15.787) 28.108 13.593 ( -3.784 -3.661 1.966) 5.620 13.694 ( 3.460 -4.418 -4.085) 6.942 14.358 ( -5.953 1.934 9.642) 11.496 14.444 ( 2.592 0.491 -8.546) 8.944 17.830 ( -19.143 -0.032 -8.019) 20.755 18.355 ( 18.819 -0.050 9.966) 21.295 19.313 ( -12.128 0.517 -2.518) 12.397 19.630 ( 10.035 0.537 -0.118) 10.051 21.470 ( -28.428 0.936 -8.287) 29.626 22.273 ( 28.087 0.338 12.027) 30.556 23.847 ( -10.320 -0.730 -0.060) 10.346 24.152 ( 11.870 -0.731 -1.011) 11.935 ======================= Grid point 752 (369/432) ======================= q-point: ( 0.18 0.00 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -1.988 -0.096 -5.819) 6.150 2.707 ( 1.018 -4.320 -6.115) 7.556 2.969 ( 3.697 -0.030 4.758) 6.026 3.080 ( -1.360 0.599 1.303) 1.976 3.262 ( 1.721 -4.442 -8.982) 10.167 3.505 ( 4.250 6.127 4.200) 8.559 3.740 ( 1.315 3.492 9.347) 10.064 4.047 ( 9.516 -6.805 3.746) 12.284 4.986 ( -5.238 -1.965 -8.087) 9.833 5.239 ( -3.297 -0.815 2.515) 4.226 5.761 ( -14.804 1.343 4.838) 15.632 5.879 ( -0.355 1.514 -10.700) 10.812 6.875 ( -14.965 2.869 5.968) 16.364 7.250 ( 3.842 -3.139 -3.172) 5.889 8.449 ( -11.740 17.557 -16.048) 26.526 9.226 ( -5.593 8.270 5.711) 11.502 9.663 ( -9.626 -8.380 2.551) 13.015 9.788 ( -1.978 -4.228 -10.814) 11.778 10.194 ( -4.528 -1.104 14.249) 14.992 10.352 ( -2.991 -9.071 5.497) 11.021 10.932 ( 9.320 5.473 5.691) 12.214 11.096 ( 14.723 -3.139 -6.809) 16.523 11.235 ( 7.826 2.167 -20.316) 21.879 12.515 ( 21.043 2.142 10.206) 23.486 13.607 ( -1.285 -4.944 -0.213) 5.113 13.725 ( 1.673 -8.925 -5.226) 10.477 14.343 ( -5.728 4.259 6.325) 9.537 14.424 ( 0.370 -2.245 0.626) 2.360 17.537 ( -18.175 0.123 0.120) 18.176 18.728 ( 17.415 0.174 12.989) 21.726 19.115 ( -10.150 1.035 -5.139) 11.424 19.730 ( 5.090 -0.241 0.799) 5.158 21.031 ( -22.376 1.653 -8.161) 23.875 22.758 ( 25.339 1.527 12.367) 28.237 23.718 ( -9.233 -0.763 -1.376) 9.366 24.309 ( 11.028 -1.923 0.302) 11.199 ======================= Grid point 753 (370/432) ======================= q-point: ( 0.27 0.00 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( -1.168 -5.860 -8.475) 10.369 2.654 ( -3.561 -7.076 -6.359) 10.158 3.007 ( -8.097 0.906 0.419) 8.158 3.115 ( 10.126 1.410 3.957) 10.963 3.310 ( 6.911 -6.825 -3.703) 10.396 3.567 ( 5.204 8.567 6.417) 11.901 3.838 ( 6.057 6.765 6.552) 11.197 4.265 ( 7.401 -6.272 4.893) 10.865 4.851 ( -5.821 -3.143 -5.903) 8.865 5.176 ( -10.116 -0.887 0.570) 10.170 5.576 ( -16.977 1.760 2.344) 17.228 5.730 ( 0.558 1.796 -12.979) 13.115 6.721 ( -13.883 3.780 6.329) 15.719 7.297 ( 1.972 -4.553 -1.429) 5.164 8.046 ( -4.629 10.133 -14.861) 18.573 9.119 ( -4.010 12.173 1.948) 12.964 9.567 ( -9.682 -7.022 -6.058) 13.407 9.739 ( -6.343 -10.010 -1.201) 11.911 10.253 ( -13.143 -7.275 6.584) 16.401 10.365 ( -4.442 5.013 9.919) 11.969 10.932 ( 8.206 11.563 -4.530) 14.885 11.222 ( 27.331 2.370 -24.584) 36.837 11.344 ( 7.457 -6.948 8.831) 13.486 12.797 ( 13.477 1.863 2.709) 13.872 13.608 ( -0.432 -4.479 -5.218) 6.890 13.811 ( 5.513 -9.595 -1.835) 11.217 14.303 ( -5.891 4.793 7.187) 10.456 14.492 ( 0.146 -6.111 4.501) 7.591 17.367 ( -16.103 0.043 10.426) 19.183 18.894 ( -6.847 -1.510 -9.523) 11.826 19.105 ( 15.468 3.554 12.272) 20.063 19.789 ( -0.405 -2.011 2.370) 3.134 20.679 ( -14.291 2.901 -7.825) 16.549 23.174 ( 20.537 3.249 10.559) 23.320 23.585 ( -8.389 -0.660 -2.643) 8.820 24.483 ( 9.733 -3.441 2.477) 10.617 ======================= Grid point 754 (371/432) ======================= q-point: ( 0.36 0.00 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -4.622 -6.844 -10.969) 13.730 2.656 ( 0.619 -9.876 -1.272) 9.977 2.895 ( -8.778 1.233 1.287) 8.957 3.274 ( 9.834 4.478 4.362) 11.652 3.415 ( 4.170 -9.004 -3.828) 10.635 3.641 ( 4.903 6.880 6.057) 10.395 3.935 ( 11.523 8.867 2.781) 14.803 4.442 ( 1.806 -4.616 6.530) 8.199 4.764 ( -4.963 -2.764 -1.540) 5.885 5.020 ( -11.781 -1.890 -2.283) 12.149 5.358 ( -16.307 2.121 1.620) 16.524 5.580 ( 1.957 1.484 -14.083) 14.296 6.605 ( -10.393 3.514 7.171) 13.107 7.347 ( 0.492 -5.733 0.157) 5.756 7.819 ( 1.295 4.163 -12.291) 13.041 8.972 ( -1.282 16.299 0.253) 16.351 9.413 ( -13.644 -11.354 -7.189) 19.150 9.747 ( -4.350 -8.065 1.670) 9.315 10.144 ( -12.238 -4.703 -0.782) 13.133 10.418 ( -7.070 4.985 17.599) 19.610 10.930 ( 11.934 9.118 -4.028) 15.550 11.267 ( 23.421 6.042 -21.250) 32.197 11.537 ( 2.655 -4.719 3.771) 6.598 12.928 ( 6.835 -0.590 -0.636) 6.890 13.570 ( -0.966 -4.584 -5.853) 7.496 13.927 ( 4.994 -4.303 -2.655) 7.107 14.281 ( -3.693 4.764 7.667) 9.753 14.627 ( 2.323 -9.125 4.360) 10.376 17.359 ( -12.381 -1.120 20.830) 24.257 18.691 ( -2.646 -1.322 -16.748) 17.007 19.386 ( 12.063 3.641 9.440) 15.744 19.802 ( -4.552 -2.223 2.444) 5.625 20.444 ( -5.673 3.212 -5.401) 8.466 23.456 ( -6.725 -0.898 -3.287) 7.539 23.468 ( 13.646 3.696 6.832) 15.702 24.670 ( 7.579 -3.814 4.335) 9.528 ======================= Grid point 755 (372/432) ======================= q-point: (-0.55 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -5.787 -3.032 -6.688) 9.349 2.735 ( -12.378 -1.245 10.644) 16.372 2.819 ( 7.233 -3.997 -7.486) 11.151 3.367 ( 5.056 9.254 4.492) 11.462 3.490 ( 1.230 -11.269 -4.246) 12.105 3.696 ( 3.005 1.379 0.664) 3.372 4.071 ( 12.668 5.382 2.101) 13.924 4.491 ( -8.493 -1.666 5.411) 10.207 4.730 ( -3.890 -2.963 2.092) 5.318 4.911 ( -1.530 -1.290 -3.690) 4.198 5.181 ( -11.614 2.608 5.177) 12.980 5.446 ( 3.410 0.596 -13.646) 14.078 6.554 ( -5.976 2.232 7.181) 9.605 7.418 ( 0.064 -6.418 2.790) 6.998 7.692 ( 2.651 2.864 -11.405) 12.055 8.846 ( 0.371 13.668 2.206) 13.850 9.261 ( -12.664 -12.095 -5.097) 18.238 9.787 ( -1.045 -3.203 2.642) 4.281 10.034 ( -7.138 -1.995 -0.436) 7.424 10.469 ( -11.132 3.889 18.945) 22.315 10.987 ( 10.740 2.821 -4.763) 12.083 11.254 ( 16.373 7.158 -17.290) 24.865 11.588 ( -0.700 -1.939 -0.356) 2.092 12.986 ( 2.084 -1.125 -0.760) 2.487 13.532 ( -0.890 -2.383 -4.012) 4.750 13.947 ( -1.294 -0.234 -0.286) 1.346 14.294 ( -0.291 3.829 4.919) 6.241 14.775 ( 4.678 -8.408 -0.641) 9.643 17.523 ( -7.021 -3.056 26.767) 27.841 18.467 ( 1.419 -0.536 -22.881) 22.932 19.569 ( 7.342 2.233 4.737) 9.018 19.770 ( -3.073 -0.338 0.212) 3.099 20.347 ( -1.000 2.057 -1.350) 2.655 23.361 ( -5.901 -4.025 -1.875) 7.385 23.628 ( 8.239 3.780 2.034) 9.290 24.818 ( 3.592 -1.709 3.567) 5.343 ======================= Grid point 756 (373/432) ======================= q-point: (-0.45 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( -3.357 2.063 1.837) 4.348 2.620 ( -15.137 7.825 10.911) 20.234 2.920 ( 10.547 -3.434 -6.059) 12.639 3.377 ( 2.154 8.637 2.919) 9.368 3.496 ( -4.042 -5.546 -5.039) 8.514 3.742 ( 1.847 -8.760 -3.222) 9.515 4.103 ( -9.493 -3.619 -0.993) 10.208 4.531 ( 9.420 -0.029 2.435) 9.729 4.730 ( -2.890 1.916 3.754) 5.110 4.860 ( -2.666 -0.376 -1.738) 3.205 5.164 ( -1.905 2.819 11.059) 11.571 5.377 ( 7.947 -0.603 -10.764) 13.393 6.572 ( -1.272 -0.049 6.071) 6.203 7.506 ( -1.218 -3.697 5.761) 6.953 7.564 ( 2.433 4.339 -11.451) 12.485 8.824 ( -2.182 -1.294 5.631) 6.176 9.197 ( -3.163 -4.905 0.116) 5.837 9.812 ( 0.645 3.122 1.076) 3.365 9.995 ( -1.482 -0.797 2.636) 3.127 10.481 ( -14.452 4.856 19.053) 24.402 11.021 ( 6.838 -1.073 -9.675) 11.896 11.199 ( 4.776 0.056 -11.479) 12.433 11.583 ( 1.384 1.691 -0.281) 2.203 12.982 ( -2.198 0.520 -0.301) 2.279 13.495 ( -1.146 1.644 -0.604) 2.093 13.917 ( -4.441 1.228 2.762) 5.372 14.307 ( 0.231 3.516 2.831) 4.520 14.856 ( 5.422 -6.168 -7.979) 11.450 17.780 ( -0.758 -4.061 18.125) 18.589 18.253 ( 4.694 0.747 -18.005) 18.621 19.628 ( -1.247 -0.412 -1.093) 1.708 19.781 ( 6.312 -0.084 -0.913) 6.378 20.324 ( -0.290 2.097 1.207) 2.437 23.332 ( -5.344 -8.504 0.500) 10.056 23.677 ( 4.137 3.177 -2.355) 5.724 24.851 ( -2.080 2.258 0.368) 3.092 ======================= Grid point 757 (374/432) ======================= q-point: (-0.36 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -0.410 5.990 9.905) 11.583 2.488 ( -11.451 10.849 12.037) 19.842 3.004 ( 10.297 0.522 -5.024) 11.469 3.334 ( -0.957 9.464 -0.137) 9.513 3.388 ( -8.844 -5.728 -4.881) 11.613 3.794 ( -0.695 -12.812 -6.262) 14.277 3.968 ( -12.819 -8.422 -2.046) 15.474 4.597 ( -0.841 2.762 -6.966) 7.541 4.684 ( -3.107 4.544 5.216) 7.584 4.951 ( 13.233 -0.446 5.128) 14.199 5.281 ( -0.435 1.759 13.984) 14.101 5.438 ( 14.250 -1.691 -5.952) 15.536 6.657 ( 3.671 -3.072 3.821) 6.125 7.430 ( 2.166 6.785 -8.212) 10.870 7.585 ( -2.182 -1.825 8.473) 8.938 8.933 ( -4.201 -17.392 6.471) 19.027 9.256 ( 5.024 3.089 5.799) 8.272 9.783 ( 2.911 8.391 -0.304) 8.887 10.069 ( 6.194 2.216 4.727) 8.101 10.436 ( -19.748 3.819 20.258) 28.547 10.963 ( 0.642 -0.421 -10.013) 10.042 11.121 ( -3.597 -6.486 -8.380) 11.190 11.587 ( 2.386 3.193 -1.486) 4.254 12.918 ( -5.940 1.169 0.155) 6.056 13.468 ( -0.988 5.179 3.848) 6.528 13.867 ( -6.362 2.806 3.511) 7.790 14.308 ( 0.209 3.214 1.991) 3.787 14.844 ( 5.825 -4.406 -14.520) 16.253 17.819 ( 6.698 -0.605 -19.262) 20.402 18.330 ( 6.866 -2.025 14.984) 16.606 19.543 ( -7.477 -3.528 -6.099) 10.273 19.867 ( 8.880 1.065 -3.872) 9.746 20.348 ( 3.485 1.961 4.461) 5.990 23.359 ( -10.817 -15.766 3.136) 19.376 23.641 ( 5.643 6.115 -7.338) 11.095 24.737 ( -7.712 6.215 -2.179) 10.142 ======================= Grid point 758 (375/432) ======================= q-point: (-0.27 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 0.031 5.887 12.821) 14.109 2.441 ( -4.131 10.032 14.198) 17.869 3.076 ( 9.069 1.755 -3.132) 9.754 3.192 ( -6.984 0.461 -5.498) 8.900 3.273 ( -6.617 2.237 -1.275) 7.101 3.769 ( -3.607 -12.285 -11.812) 17.420 3.900 ( -7.613 -8.257 0.544) 11.244 4.399 ( -7.055 5.867 -8.413) 12.448 4.711 ( 0.263 4.431 8.524) 9.610 5.178 ( 12.731 0.234 0.320) 12.738 5.436 ( 0.480 -0.339 15.563) 15.574 5.622 ( 16.994 -2.176 -2.446) 17.307 6.799 ( 8.227 -5.585 0.485) 9.956 7.324 ( 1.123 6.799 -4.695) 8.338 7.718 ( 0.953 -3.032 15.412) 15.736 9.122 ( -2.461 -22.577 3.627) 22.999 9.380 ( 4.040 3.180 9.442) 10.751 9.759 ( 8.166 12.994 -1.338) 15.405 10.179 ( 7.262 13.005 7.328) 16.600 10.414 ( -17.694 -8.562 19.950) 28.007 10.828 ( -11.728 -0.123 -0.929) 11.765 11.029 ( -1.037 -2.168 -8.783) 9.106 11.518 ( -1.515 2.987 -8.136) 8.798 12.816 ( -9.733 -0.719 0.092) 9.760 13.476 ( -0.146 6.228 7.341) 9.628 13.776 ( -6.487 5.343 1.717) 8.578 14.306 ( -0.163 2.634 2.003) 3.313 14.772 ( 6.520 -3.711 -17.975) 19.477 17.697 ( 11.441 0.221 -20.643) 23.603 18.648 ( 11.206 -2.415 14.282) 18.314 19.348 ( -12.876 -4.773 -11.094) 17.654 19.867 ( 1.915 2.879 -5.464) 6.466 20.523 ( 14.337 0.623 7.642) 16.258 23.290 ( -25.733 -17.496 -1.338) 31.147 23.626 ( 14.928 7.411 -6.554) 17.909 24.525 ( -11.161 7.449 -1.636) 13.518 ======================= Grid point 759 (376/432) ======================= q-point: (-0.18 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 0.698 1.535 11.942) 12.061 2.508 ( -0.957 7.023 14.555) 16.189 3.052 ( -6.744 -2.530 -4.371) 8.425 3.127 ( -1.728 1.853 3.190) 4.074 3.179 ( 7.574 4.353 -7.104) 11.259 3.664 ( -6.086 -9.551 -10.870) 15.698 3.877 ( -3.213 -5.074 -3.009) 6.718 4.152 ( -8.908 6.706 -6.837) 13.079 4.808 ( 3.392 3.021 9.716) 10.726 5.270 ( 3.460 1.090 -0.444) 3.655 5.635 ( 2.775 -1.321 12.747) 13.113 5.832 ( 15.416 -1.910 -2.311) 15.705 6.964 ( 9.869 -6.107 -1.714) 11.731 7.233 ( -0.528 6.376 -2.196) 6.765 8.040 ( 7.997 -8.009 22.872) 25.519 9.302 ( 1.200 -17.850 -0.794) 17.908 9.522 ( -0.644 -4.456 11.078) 11.958 9.729 ( 6.362 14.781 -0.410) 16.097 10.195 ( -0.235 18.694 11.072) 21.728 10.535 ( -1.648 -14.041 -1.483) 14.215 10.661 ( -24.884 2.189 18.607) 31.148 10.965 ( 5.880 3.528 -2.851) 7.426 11.326 ( -2.876 2.053 -14.966) 15.377 12.652 ( -15.708 -2.651 -3.672) 16.348 13.520 ( 0.135 4.968 8.295) 9.670 13.670 ( -2.117 6.805 0.053) 7.127 14.304 ( -1.277 1.474 2.489) 3.162 14.687 ( 6.473 -3.317 -17.260) 18.730 17.677 ( 14.925 0.033 -13.134) 19.881 18.941 ( 8.019 0.898 2.618) 8.483 19.060 ( -10.199 -5.892 -9.527) 15.150 19.774 ( -4.414 1.933 -3.621) 6.028 20.860 ( 22.423 0.294 8.712) 24.058 22.965 ( -30.480 -8.470 -7.912) 32.609 23.731 ( 13.846 2.293 -3.044) 14.361 24.309 ( -12.147 4.977 0.365) 13.132 ======================= Grid point 760 (377/432) ======================= q-point: (-0.09 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( -0.574 -0.586 10.241) 10.274 2.602 ( -0.345 1.843 9.268) 9.456 2.971 ( -2.250 -1.011 -1.314) 2.795 3.096 ( 1.127 1.395 -3.024) 3.516 3.227 ( 7.332 1.714 -0.426) 7.541 3.546 ( -5.049 -3.913 -6.093) 8.827 3.824 ( -1.915 -3.272 -6.399) 7.438 3.912 ( -8.189 5.925 -5.624) 11.567 4.954 ( 4.331 1.123 9.444) 10.450 5.267 ( -0.326 0.771 -1.612) 1.816 5.793 ( -0.413 -0.762 10.685) 10.720 5.986 ( 10.986 -1.066 -4.106) 11.776 7.089 ( -0.021 -3.777 1.867) 4.213 7.174 ( 5.941 3.780 -4.445) 8.327 8.540 ( 11.890 -9.765 26.694) 30.811 9.436 ( 1.777 -15.693 -3.784) 16.241 9.651 ( -1.872 4.530 9.151) 10.381 9.719 ( 2.993 -1.931 2.913) 4.601 10.048 ( -6.394 24.204 1.711) 25.093 10.484 ( -4.306 -5.376 -8.800) 11.175 10.563 ( -21.451 1.602 18.217) 28.188 11.107 ( 7.314 -2.796 -15.077) 16.989 11.186 ( 11.881 3.376 11.355) 16.778 12.349 ( -20.573 -1.962 -10.606) 23.229 13.570 ( -1.197 2.948 7.203) 7.874 13.626 ( 3.089 4.444 -0.649) 5.451 14.310 ( -2.457 0.021 4.228) 4.890 14.608 ( 5.136 -1.956 -14.476) 15.484 17.792 ( 17.323 0.018 -4.305) 17.850 18.624 ( -18.210 -0.306 -15.904) 24.180 19.256 ( 14.909 -1.750 3.248) 15.358 19.646 ( -8.753 0.512 -1.839) 8.959 21.288 ( 26.872 0.133 9.596) 28.534 22.492 ( -32.518 -2.650 -9.386) 33.949 23.865 ( 12.708 0.679 -2.126) 12.902 24.132 ( -12.078 1.845 1.187) 12.276 ======================= Grid point 762 (378/432) ======================= q-point: ( 0.09 0.09 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( -3.352 0.000 -7.428) 8.149 2.658 ( -0.796 0.000 -6.281) 6.332 2.969 ( 3.116 -0.000 5.973) 6.737 3.096 ( 4.893 -0.000 -0.670) 4.939 3.211 ( -2.704 0.000 -9.546) 9.922 3.572 ( 4.639 -0.000 6.640) 8.100 3.777 ( 1.496 -0.000 11.080) 11.181 3.969 ( 9.634 -0.000 2.907) 10.063 4.969 ( -5.152 0.000 -8.688) 10.100 5.232 ( -2.990 0.000 2.440) 3.859 5.774 ( -15.028 0.000 5.177) 15.894 5.893 ( -0.187 0.000 -10.838) 10.840 6.903 ( -15.349 0.000 7.275) 16.986 7.219 ( 3.905 -0.000 -4.415) 5.894 8.633 ( -15.228 0.000 -24.269) 28.651 9.206 ( -15.376 0.000 12.133) 19.587 9.688 ( -7.050 0.000 11.514) 13.500 9.750 ( -1.883 0.000 -12.646) 12.785 10.128 ( 10.211 -0.000 -10.209) 14.440 10.283 ( -7.049 0.000 23.741) 24.766 10.991 ( 7.793 -0.000 16.083) 17.872 11.062 ( 16.998 -0.000 -14.431) 22.298 11.267 ( 8.790 -0.000 -23.955) 25.517 12.537 ( 21.071 -0.000 11.145) 23.837 13.565 ( -0.378 0.000 1.983) 2.018 13.639 ( 0.642 -0.000 -6.905) 6.934 14.384 ( 1.599 -0.000 -6.665) 6.854 14.402 ( -8.446 0.000 13.057) 15.550 17.538 ( -18.061 0.000 0.091) 18.062 18.730 ( 17.192 -0.000 13.097) 21.612 19.125 ( -10.514 0.000 -4.001) 11.249 19.728 ( 4.459 -0.000 0.283) 4.468 21.045 ( -21.587 0.000 -8.990) 23.384 22.770 ( 23.467 -0.000 14.706) 27.694 23.715 ( -7.850 0.000 -1.557) 8.003 24.290 ( 11.215 -0.000 -0.851) 11.247 ======================= Grid point 763 (379/432) ======================= q-point: ( 0.18 0.09 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( -4.444 -1.807 -9.137) 10.319 2.557 ( -2.281 -3.594 -8.687) 9.674 3.024 ( -5.355 0.852 -2.202) 5.852 3.142 ( 8.420 1.919 2.179) 8.907 3.205 ( 7.024 -4.873 -0.741) 8.581 3.706 ( 3.630 6.112 10.428) 12.621 3.926 ( 6.537 3.174 8.763) 11.384 4.151 ( 7.214 -5.594 4.341) 10.109 4.808 ( -5.409 -1.620 -7.595) 9.464 5.165 ( -10.677 -0.328 0.748) 10.708 5.601 ( -17.123 0.909 3.064) 17.419 5.757 ( 1.376 0.979 -13.545) 13.650 6.775 ( -14.988 2.061 7.782) 17.013 7.233 ( 2.556 -2.399 -2.710) 4.430 8.161 ( -11.249 3.458 -22.073) 25.015 9.177 ( -11.046 -2.011 10.742) 15.538 9.596 ( -11.852 6.376 1.117) 13.504 9.633 ( -2.708 -2.491 -4.886) 6.117 10.103 ( -1.819 -8.046 -9.934) 12.912 10.417 ( -10.010 1.458 20.899) 23.218 11.098 ( 14.112 6.172 -11.890) 19.458 11.249 ( 28.566 0.910 -22.708) 36.503 11.287 ( 10.709 -1.267 11.334) 15.645 12.832 ( 12.631 1.711 2.392) 12.969 13.550 ( -1.248 -1.951 -7.386) 7.740 13.668 ( 7.217 -5.612 2.216) 9.407 14.336 ( 0.272 -0.145 -3.802) 3.814 14.445 ( -9.304 -0.246 15.660) 18.217 17.368 ( -16.204 0.017 10.000) 19.041 18.874 ( -7.231 -0.633 -7.141) 10.182 19.158 ( 14.540 1.971 13.152) 19.705 19.760 ( -1.401 -1.078 1.582) 2.372 20.709 ( -12.849 0.833 -9.747) 16.150 23.180 ( 8.844 -0.794 16.279) 18.543 23.624 ( 2.175 2.773 -3.572) 5.018 24.429 ( 9.857 -2.196 -0.408) 10.107 ======================= Grid point 764 (380/432) ======================= q-point: ( 0.27 0.09 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -2.582 -4.474 -9.263) 10.606 2.507 ( 1.740 -7.085 -5.443) 9.102 2.906 ( -7.499 0.400 -0.904) 7.564 3.245 ( 4.923 -5.684 -2.852) 8.043 3.364 ( 9.687 1.528 4.271) 10.697 3.785 ( -0.013 9.353 11.022) 14.456 4.083 ( 11.019 7.793 5.174) 14.454 4.324 ( 1.009 -8.513 5.698) 10.294 4.715 ( -1.808 -3.213 -3.263) 4.923 4.981 ( -16.495 -1.951 -1.481) 16.676 5.397 ( -15.830 2.158 2.548) 16.178 5.614 ( 3.811 2.019 -15.599) 16.184 6.665 ( -11.580 3.297 8.079) 14.499 7.258 ( 0.185 -4.362 -1.082) 4.498 7.828 ( -4.836 -1.964 -16.785) 17.577 9.177 ( -5.496 3.666 9.864) 11.872 9.327 ( -15.699 5.082 -6.146) 17.608 9.618 ( -2.464 -7.041 0.500) 7.476 10.015 ( -6.406 -8.142 -6.870) 12.431 10.483 ( -12.409 2.320 20.314) 23.917 11.093 ( 23.156 7.534 -21.387) 32.409 11.382 ( 23.232 7.305 -11.360) 26.872 11.514 ( 8.266 0.675 5.258) 9.819 12.930 ( 5.479 0.962 -1.513) 5.765 13.477 ( -1.895 -5.918 -6.835) 9.238 13.845 ( 8.633 -4.544 -0.606) 9.775 14.309 ( -0.248 -1.271 -2.086) 2.455 14.534 ( -6.065 -1.680 17.109) 18.230 17.345 ( -13.329 -0.572 20.252) 24.252 18.670 ( -5.221 -0.953 -13.808) 14.793 19.464 ( 12.839 4.703 11.028) 17.566 19.759 ( -4.052 -2.643 2.622) 5.503 20.475 ( -5.468 0.740 -9.244) 10.766 23.293 ( -15.214 -6.978 8.270) 18.669 23.710 ( 19.628 12.610 1.333) 23.368 24.583 ( 7.922 -5.758 1.065) 9.852 ======================= Grid point 765 (381/432) ======================= q-point: ( 0.36 0.09 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 0.037 -1.544 -5.279) 5.500 2.609 ( 6.499 -9.902 -0.180) 11.846 2.809 ( -7.027 0.194 1.123) 7.119 3.300 ( 0.883 -9.531 -5.600) 11.090 3.502 ( 7.958 5.505 4.594) 10.712 3.782 ( -5.707 8.432 7.524) 12.661 4.182 ( 5.967 6.515 1.780) 9.012 4.434 ( -4.191 -4.671 6.648) 9.142 4.686 ( -4.863 -1.988 0.657) 5.294 4.838 ( -4.041 -6.481 -2.305) 7.978 5.239 ( -9.925 3.672 5.599) 11.973 5.475 ( 5.608 2.359 -16.193) 17.298 6.599 ( -6.967 3.008 6.588) 10.049 7.299 ( -1.511 -7.101 2.067) 7.549 7.670 ( -0.956 -4.653 -11.164) 12.133 8.994 ( -17.239 1.714 -7.548) 18.897 9.205 ( -0.426 6.766 9.770) 11.891 9.684 ( -2.366 -9.681 3.927) 10.711 9.934 ( -4.667 -5.640 -4.372) 8.527 10.517 ( -14.889 1.535 20.772) 25.603 11.096 ( 24.677 6.666 -23.906) 34.998 11.433 ( 13.227 13.726 -8.150) 20.731 11.618 ( 7.886 4.393 -0.021) 9.028 12.963 ( 1.844 -1.109 -0.763) 2.284 13.454 ( -0.827 -6.673 -3.705) 7.677 13.925 ( 1.454 -2.024 -1.076) 2.715 14.304 ( 0.658 -2.639 -2.285) 3.552 14.680 ( -1.050 -2.375 12.236) 12.508 17.481 ( -9.151 -1.864 27.800) 29.326 18.449 ( -1.108 -1.280 -19.639) 19.711 19.640 ( 7.886 5.306 4.221) 10.400 19.763 ( -1.376 -0.239 1.594) 2.119 20.347 ( -1.747 -1.754 -5.868) 6.368 23.206 ( -17.311 -9.469 4.558) 20.251 23.841 ( 15.427 16.021 0.786) 22.255 24.743 ( 4.557 -6.933 2.007) 8.536 ======================= Grid point 766 (382/432) ======================= q-point: (-0.55 0.09 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 3.240 3.404 2.699) 5.419 2.714 ( -11.979 3.443 12.227) 17.460 2.821 ( 13.526 -8.177 -6.594) 17.126 3.306 ( -1.893 -9.906 -6.374) 11.931 3.582 ( 5.124 7.367 3.180) 9.520 3.676 ( -10.575 2.233 2.369) 11.065 4.077 ( -15.408 -0.030 -2.031) 15.542 4.528 ( 7.895 0.374 3.552) 8.666 4.725 ( 0.329 -3.334 6.876) 7.649 4.817 ( -3.665 -3.304 -2.819) 5.683 5.230 ( -0.833 4.318 10.512) 11.394 5.383 ( 9.934 1.273 -13.996) 17.211 6.583 ( -2.013 1.219 4.169) 4.787 7.383 ( -3.649 -9.747 5.671) 11.852 7.594 ( 0.887 -1.168 -7.734) 7.872 8.719 ( -15.793 -7.217 -4.458) 17.927 9.277 ( 3.371 10.043 11.873) 15.912 9.797 ( -3.579 -12.406 6.189) 14.319 9.890 ( 0.235 -0.783 -2.764) 2.883 10.538 ( -16.270 0.763 20.972) 26.554 11.076 ( 19.979 5.893 -23.075) 31.086 11.315 ( 4.496 13.013 -11.594) 18.000 11.679 ( 9.571 9.407 0.713) 13.439 12.975 ( -1.662 -1.233 0.238) 2.083 13.474 ( -0.268 -4.046 0.116) 4.057 13.923 ( -3.184 -0.506 1.901) 3.742 14.311 ( 1.079 -3.300 -3.181) 4.708 14.788 ( 0.584 -1.349 3.928) 4.194 17.728 ( -3.924 -2.216 24.929) 25.333 18.239 ( 2.590 -1.988 -19.207) 19.483 19.678 ( 1.007 6.026 -2.516) 6.607 19.776 ( 5.894 -0.393 -0.836) 5.965 20.313 ( -0.562 -3.331 -2.019) 3.936 23.124 ( -17.080 -12.440 5.073) 21.731 23.868 ( 11.007 15.652 -2.451) 19.290 24.833 ( -0.765 -4.301 0.108) 4.370 ======================= Grid point 767 (383/432) ======================= q-point: (-0.45 0.09 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 3.986 7.451 9.860) 12.986 2.649 ( -10.343 7.944 12.247) 17.891 2.986 ( 12.442 -3.187 -4.433) 13.587 3.267 ( -5.503 -8.238 -6.160) 11.666 3.494 ( -10.483 7.199 2.919) 13.047 3.630 ( 0.117 -5.292 -4.844) 7.175 3.860 ( -13.373 -3.688 -2.019) 14.018 4.594 ( -2.847 -1.786 -2.334) 4.092 4.752 ( -2.448 2.663 2.376) 4.328 4.918 ( 11.339 -3.108 6.719) 13.542 5.331 ( 0.569 3.546 11.741) 12.278 5.423 ( 15.827 0.198 -7.749) 17.623 6.622 ( 2.707 -1.191 2.135) 3.647 7.467 ( -5.680 -9.749 2.699) 11.602 7.532 ( 0.859 3.138 -1.214) 3.472 8.637 ( -9.608 -16.047 2.379) 18.854 9.380 ( 2.773 9.764 13.265) 16.703 9.871 ( -3.935 -7.592 1.489) 8.680 9.963 ( 6.276 -1.713 5.976) 8.834 10.541 ( -16.534 3.235 19.855) 26.039 10.983 ( 4.724 6.686 -13.526) 15.811 11.135 ( 9.285 6.016 -19.392) 22.326 11.713 ( 7.747 12.130 0.144) 14.394 12.931 ( -6.333 0.075 0.117) 6.334 13.511 ( -0.173 -0.093 3.835) 3.840 13.903 ( -4.963 1.052 4.210) 6.593 14.315 ( 1.269 -3.024 -3.416) 4.735 14.801 ( 0.590 -0.056 -3.812) 3.858 17.820 ( 4.685 0.878 -12.915) 13.766 18.266 ( 3.077 -5.606 13.960) 15.355 19.541 ( -5.796 3.455 -7.462) 10.060 19.877 ( 9.759 0.146 -2.942) 10.194 20.342 ( 3.445 -2.923 0.694) 4.570 23.073 ( -18.928 -15.722 6.091) 25.348 23.831 ( 9.607 14.103 -5.334) 17.878 24.788 ( -6.396 -0.150 -2.916) 7.031 ======================= Grid point 768 (384/432) ======================= q-point: (-0.36 0.09 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( -0.607 8.239 11.992) 14.562 2.614 ( -4.785 9.778 13.451) 17.304 3.100 ( 10.028 0.713 -3.178) 10.543 3.149 ( -9.604 -4.415 -5.782) 12.048 3.348 ( -7.934 4.374 2.277) 9.342 3.576 ( -3.572 -9.860 -11.135) 15.296 3.779 ( -3.808 -5.024 -0.207) 6.308 4.454 ( -8.833 0.656 -6.480) 10.974 4.783 ( 0.785 4.061 8.123) 9.116 5.160 ( 12.315 -2.693 1.659) 12.715 5.450 ( 0.797 1.975 12.897) 13.071 5.592 ( 16.785 -0.925 -2.522) 16.998 6.722 ( 6.862 -3.572 0.718) 7.769 7.414 ( -0.177 2.689 -5.413) 6.047 7.611 ( -3.446 -8.515 11.542) 14.751 8.751 ( -6.009 -20.989 5.801) 22.590 9.476 ( 0.331 7.795 13.338) 15.452 9.937 ( 6.188 0.714 2.733) 6.802 10.140 ( 3.591 -5.372 7.342) 9.780 10.477 ( -15.871 9.729 16.714) 25.018 10.827 ( -8.725 2.107 -0.202) 8.978 11.034 ( 15.664 2.032 -22.559) 27.539 11.653 ( 2.208 13.875 -4.183) 14.659 12.810 ( -11.359 -0.200 -0.909) 11.397 13.556 ( 0.225 3.074 6.318) 7.029 13.864 ( -4.922 4.398 4.490) 7.983 14.322 ( 1.084 -1.995 -1.978) 3.012 14.730 ( 0.989 -0.191 -10.130) 10.180 17.704 ( 10.665 0.709 -19.901) 22.590 18.576 ( 6.320 -6.181 17.640) 19.731 19.311 ( -10.708 0.858 -10.965) 15.350 19.904 ( 1.913 1.416 -5.402) 5.903 20.515 ( 15.787 -2.063 4.216) 16.470 22.994 ( -24.289 -16.547 4.488) 29.731 23.788 ( 11.180 11.401 -6.371) 17.192 24.618 ( -10.436 3.278 -4.052) 11.665 ======================= Grid point 769 (385/432) ======================= q-point: (-0.27 0.09 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -2.678 4.379 10.535) 11.719 2.644 ( -3.148 8.511 12.548) 15.485 3.003 ( -7.283 -3.317 -4.017) 8.954 3.163 ( -0.491 2.184 4.313) 4.860 3.267 ( 5.771 5.778 -6.238) 10.277 3.491 ( -3.729 -10.384 -9.064) 14.279 3.784 ( -0.584 -5.457 -3.150) 6.328 4.241 ( -10.008 3.297 -5.872) 12.062 4.871 ( 2.813 4.165 9.229) 10.508 5.287 ( 5.132 0.413 -0.922) 5.230 5.614 ( 2.068 -0.684 12.727) 12.912 5.794 ( 14.917 -2.204 -1.981) 15.209 6.870 ( 9.088 -4.941 0.091) 10.345 7.324 ( -1.192 3.847 -4.080) 5.733 7.854 ( 3.347 -13.345 16.260) 21.300 8.916 ( -7.118 -24.404 3.820) 25.706 9.566 ( -0.951 6.123 14.110) 15.411 10.028 ( 13.070 15.877 -1.135) 20.596 10.281 ( -3.870 -12.126 3.730) 13.264 10.408 ( -11.787 7.096 19.528) 23.888 10.724 ( -10.533 3.845 7.688) 13.595 11.004 ( 17.048 1.148 -17.423) 24.403 11.446 ( -2.905 14.236 -8.922) 17.050 12.610 ( -16.757 -2.052 -4.202) 17.397 13.607 ( 0.941 4.910 7.154) 8.728 13.807 ( -2.133 8.351 3.626) 9.351 14.325 ( -1.038 -0.030 0.601) 1.200 14.625 ( 2.514 -2.939 -13.902) 14.430 17.678 ( 14.806 0.140 -13.252) 19.872 18.896 ( 6.442 -8.197 9.380) 14.024 19.006 ( -10.750 2.167 -11.896) 16.180 19.806 ( -4.603 1.536 -5.280) 7.171 20.858 ( 24.253 -0.739 6.498) 25.120 22.782 ( -29.799 -12.253 -0.848) 32.231 23.807 ( 12.545 6.648 -4.491) 14.890 24.394 ( -12.123 4.440 -2.611) 13.172 ======================= Grid point 770 (386/432) ======================= q-point: (-0.18 0.09 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( -1.374 -0.095 9.262) 9.364 2.650 ( -3.548 3.394 5.909) 7.683 2.945 ( -1.678 -1.693 0.336) 2.407 3.135 ( -4.273 3.041 1.235) 5.388 3.261 ( 7.100 0.935 -5.432) 8.989 3.469 ( 1.751 -3.115 -3.297) 4.862 3.771 ( 0.457 -3.443 -5.329) 6.361 4.011 ( -9.763 4.972 -5.276) 12.160 4.990 ( 3.688 3.006 9.202) 10.359 5.292 ( 0.414 1.967 -2.028) 2.856 5.772 ( -0.387 -1.560 10.724) 10.844 5.954 ( 10.664 -2.417 -3.664) 11.532 7.023 ( 5.709 -3.990 1.511) 7.127 7.234 ( -0.530 2.841 -4.045) 4.971 8.283 ( 10.208 -18.650 18.970) 28.494 9.039 ( -9.851 -26.866 -1.001) 28.633 9.672 ( -2.402 3.807 16.059) 16.678 9.998 ( 11.293 21.967 -0.167) 24.700 10.292 ( -5.372 -4.020 -5.373) 8.596 10.451 ( -7.535 6.407 17.023) 19.688 10.612 ( -14.102 7.605 7.412) 17.653 11.055 ( 12.222 -3.113 -17.562) 21.622 11.283 ( 10.311 9.474 3.076) 14.336 12.301 ( -21.209 -2.998 -9.779) 23.547 13.653 ( 0.656 6.186 6.756) 9.184 13.755 ( 1.257 9.873 1.699) 10.096 14.311 ( -3.535 0.066 3.077) 4.687 14.546 ( 4.009 -5.044 -13.615) 15.062 17.793 ( 17.451 0.066 -4.295) 17.972 18.615 ( -18.116 -0.781 -15.079) 23.584 19.205 ( 13.307 -3.943 5.747) 15.021 19.659 ( -8.070 0.741 -3.949) 9.015 21.290 ( 27.919 -0.027 8.138) 29.080 22.411 ( -32.265 -6.577 -5.548) 33.393 23.894 ( 12.295 2.935 -2.448) 12.875 24.181 ( -12.162 3.576 -0.624) 12.692 ======================= Grid point 771 (387/432) ======================= q-point: (-0.09 0.09 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( -0.880 -1.485 7.977) 8.162 2.645 ( 0.508 -0.174 -0.616) 0.817 2.975 ( 1.646 -0.901 1.622) 2.480 3.053 ( -1.210 1.060 -5.313) 5.552 3.321 ( 1.445 -1.754 5.503) 5.954 3.468 ( 2.788 1.014 -5.590) 6.328 3.740 ( -4.216 2.003 0.289) 4.676 3.815 ( -0.016 3.559 -6.085) 7.050 5.112 ( 3.108 1.564 7.404) 8.181 5.231 ( -1.687 1.687 -4.345) 4.957 5.863 ( -5.015 -1.302 9.360) 10.699 6.023 ( 5.457 -1.790 -6.189) 8.443 7.070 ( -8.078 -0.178 6.040) 10.088 7.208 ( 7.454 -0.412 -6.912) 10.174 8.814 ( 9.614 -20.971 18.939) 29.848 9.077 ( -11.158 -27.223 -7.027) 30.248 9.782 ( -5.452 5.095 15.447) 17.155 9.990 ( 12.001 16.926 -2.841) 20.943 10.089 ( -9.690 16.668 3.609) 19.614 10.317 ( -3.150 7.772 -13.982) 16.305 10.569 ( -13.646 -1.484 23.967) 27.620 11.015 ( 15.497 -1.532 -20.335) 25.612 11.602 ( 21.409 1.049 14.887) 26.097 11.906 ( -20.569 -3.017 -14.486) 25.338 13.652 ( -3.356 6.568 5.088) 8.960 13.719 ( 4.795 7.637 -1.850) 9.205 14.318 ( -4.514 -1.827 6.393) 8.036 14.496 ( 3.764 -3.349 -11.107) 12.196 18.029 ( 18.669 0.169 3.791) 19.051 18.207 ( -19.209 -0.009 -13.305) 23.367 19.440 ( 6.308 -3.139 2.918) 7.627 19.505 ( -4.046 0.537 -3.682) 5.497 21.767 ( 28.166 -0.344 10.001) 29.891 21.949 ( -30.905 -2.564 -7.764) 31.969 24.000 ( -10.161 2.033 0.385) 10.369 24.017 ( 10.690 1.382 -1.530) 10.887 ======================= Grid point 774 (388/432) ======================= q-point: ( 0.18 0.18 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -1.931 0.000 -8.301) 8.523 2.444 ( 1.937 -0.000 -7.178) 7.435 2.910 ( -6.599 0.000 -2.768) 7.155 3.192 ( 2.786 -0.000 -2.322) 3.626 3.379 ( 11.338 -0.000 5.198) 12.473 3.889 ( -1.218 0.000 13.432) 13.488 4.161 ( 12.083 -0.000 8.202) 14.604 4.222 ( -0.494 0.000 3.435) 3.471 4.680 ( -0.753 0.000 -4.824) 4.883 4.965 ( -18.219 0.000 -1.346) 18.268 5.417 ( -15.625 0.000 2.923) 15.896 5.633 ( 4.490 -0.000 -16.129) 16.742 6.697 ( -12.457 0.000 8.971) 15.351 7.217 ( 0.532 -0.000 -2.106) 2.172 7.803 ( -7.387 0.000 -18.695) 20.101 9.177 ( -7.618 0.000 8.760) 11.610 9.444 ( -17.504 0.000 1.698) 17.586 9.528 ( -5.355 0.000 -0.338) 5.365 9.934 ( 2.080 -0.000 -11.994) 12.173 10.502 ( -14.495 0.000 21.624) 26.033 11.154 ( 26.834 -0.000 -29.005) 39.514 11.458 ( 24.160 -0.000 -6.206) 24.944 11.523 ( 9.490 -0.000 6.017) 11.236 12.946 ( 5.189 -0.000 -1.996) 5.559 13.415 ( -2.759 0.000 -7.863) 8.333 13.803 ( 9.916 -0.000 0.900) 9.956 14.288 ( 0.611 -0.000 -4.967) 5.004 14.529 ( -8.893 0.000 20.970) 22.778 17.340 ( -13.663 0.000 20.077) 24.285 18.662 ( -5.948 0.000 -13.001) 14.297 19.511 ( 13.347 -0.000 12.811) 18.500 19.731 ( -4.240 0.000 1.941) 4.663 20.479 ( -5.442 0.000 -10.938) 12.217 23.234 ( -15.743 0.000 8.719) 17.996 23.830 ( 19.482 -0.000 4.690) 20.038 24.522 ( 7.799 -0.000 -1.610) 7.963 ======================= Grid point 775 (389/432) ======================= q-point: ( 0.27 0.18 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 4.311 -0.012 -3.362) 5.466 2.471 ( 8.299 -5.167 -3.209) 10.289 2.808 ( -6.817 -0.080 0.806) 6.865 3.187 ( 0.096 -3.554 -4.299) 5.579 3.557 ( 7.889 1.424 3.670) 8.817 3.943 ( -8.443 8.637 11.836) 16.911 4.206 ( -8.774 -4.294 3.138) 10.260 4.406 ( 10.973 2.191 7.643) 13.551 4.669 ( -2.991 0.076 -2.128) 3.672 4.727 ( -8.886 -5.494 -1.698) 10.584 5.286 ( -9.615 1.599 5.956) 11.422 5.509 ( 6.733 1.233 -17.850) 19.117 6.644 ( -8.365 1.814 7.028) 11.075 7.201 ( -2.471 -3.718 -0.777) 4.531 7.592 ( -2.022 -3.024 -9.671) 10.333 9.003 ( -18.252 0.577 -8.516) 20.149 9.346 ( -4.275 7.612 13.751) 16.288 9.507 ( -7.702 -9.372 4.438) 12.917 9.882 ( 5.188 -1.185 -7.441) 9.148 10.532 ( -17.925 0.440 22.418) 28.707 11.166 ( 30.097 1.901 -33.860) 45.343 11.628 ( 9.085 6.589 -3.097) 11.642 11.699 ( 17.596 4.056 0.188) 18.059 12.963 ( 1.513 0.818 -1.329) 2.173 13.337 ( -1.275 -5.445 -4.357) 7.089 13.895 ( 3.095 -1.166 -0.822) 3.408 14.249 ( 0.754 -2.424 -5.229) 5.812 14.672 ( -4.458 0.306 18.687) 19.214 17.461 ( -10.365 -0.611 28.609) 30.435 18.432 ( -2.349 -0.564 -18.462) 18.619 19.705 ( 1.163 1.561 1.881) 2.706 19.774 ( 7.046 1.389 6.812) 9.899 20.310 ( -2.839 -1.735 -10.487) 11.002 23.094 ( -18.545 -3.450 6.043) 19.808 24.080 ( 14.142 10.053 5.137) 18.096 24.614 ( 5.207 -6.505 -1.535) 8.473 ======================= Grid point 776 (390/432) ======================= q-point: ( 0.36 0.18 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 8.174 3.832 3.756) 9.778 2.659 ( 13.895 -8.756 -1.674) 16.509 2.756 ( -7.221 0.880 6.917) 10.038 3.165 ( -0.615 -6.247 -6.062) 8.727 3.619 ( -1.001 0.603 -0.271) 1.200 3.808 ( -15.025 8.504 7.472) 18.812 4.080 ( -16.136 0.008 0.128) 16.136 4.558 ( 4.898 2.603 3.594) 6.609 4.638 ( -0.292 -4.653 6.426) 7.939 4.762 ( 1.995 -3.940 -1.101) 4.551 5.292 ( -1.381 2.785 10.520) 10.970 5.409 ( 10.986 1.433 -16.787) 20.113 6.609 ( -3.009 1.708 3.055) 4.615 7.209 ( -5.503 -9.560 1.586) 11.144 7.559 ( 1.057 -2.064 -0.544) 2.382 8.649 ( -18.343 -1.366 -8.351) 20.201 9.416 ( -0.979 3.576 11.729) 12.301 9.564 ( -8.056 -9.523 9.024) 15.395 9.911 ( 8.438 1.166 -3.291) 9.132 10.536 ( -20.624 -0.268 23.691) 31.411 11.146 ( 27.965 2.416 -34.449) 44.437 11.559 ( 5.263 12.766 -10.621) 17.421 11.868 ( 15.720 11.466 2.356) 19.599 12.953 ( -1.875 -0.845 0.146) 2.061 13.371 ( 0.679 -7.360 0.576) 7.413 13.906 ( -2.308 -1.246 1.108) 2.847 14.231 ( 1.370 -4.767 -5.961) 7.754 14.795 ( -2.981 1.191 11.922) 12.347 17.703 ( -6.622 -0.837 31.334) 32.037 18.202 ( 1.331 -1.925 -21.758) 21.883 19.755 ( 6.565 0.071 -0.629) 6.595 19.825 ( 2.029 8.489 -1.769) 8.906 20.221 ( -1.351 -7.100 -6.108) 9.462 22.961 ( -18.803 -6.653 6.681) 21.034 24.143 ( 8.563 15.921 0.359) 18.081 24.716 ( 0.929 -9.122 -1.113) 9.236 ======================= Grid point 777 (391/432) ======================= q-point: ( 0.45 0.18 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 6.983 6.766 9.533) 13.617 2.745 ( -5.847 3.204 9.173) 11.340 2.900 ( 12.349 -5.997 0.678) 13.745 3.139 ( -0.036 -6.391 -7.444) 9.811 3.504 ( -14.572 -1.739 -0.284) 14.678 3.628 ( -12.647 -0.032 -0.787) 12.671 3.879 ( -8.459 5.477 -0.263) 10.081 4.565 ( -4.986 -1.133 -1.023) 5.214 4.765 ( -0.306 -0.762 6.031) 6.087 4.862 ( 10.306 -3.375 4.003) 11.560 5.382 ( 4.292 2.580 4.257) 6.573 5.443 ( 13.208 1.620 -2.748) 13.588 6.615 ( 2.138 0.189 0.618) 2.233 7.244 ( -7.731 -14.052 2.364) 16.211 7.594 ( 0.620 3.359 3.345) 4.780 8.422 ( -12.654 -9.452 -1.526) 15.868 9.513 ( -1.947 0.449 11.574) 11.745 9.641 ( -6.921 -7.326 9.550) 13.884 10.017 ( 11.598 2.451 1.475) 11.946 10.536 ( -22.198 -1.721 24.898) 33.401 11.083 ( 23.034 3.103 -32.112) 39.641 11.342 ( 3.994 16.712 -15.221) 22.955 11.968 ( 13.471 16.688 1.689) 21.513 12.917 ( -6.375 -1.732 0.141) 6.608 13.468 ( 1.084 -4.743 4.814) 6.844 13.898 ( -4.026 -1.354 3.545) 5.533 14.227 ( 2.179 -5.997 -6.797) 9.323 14.831 ( -3.846 2.704 5.343) 7.117 17.851 ( 2.690 2.947 -8.429) 9.326 18.153 ( -0.560 -7.373 14.453) 16.234 19.648 ( -4.824 8.532 -8.768) 13.150 19.878 ( 10.286 0.226 -2.197) 10.520 20.249 ( 3.959 -7.979 -2.496) 9.250 22.860 ( -19.615 -9.469 7.757) 23.121 24.084 ( 6.271 15.552 -3.358) 17.102 24.735 ( -4.554 -5.970 -3.094) 8.121 ======================= Grid point 778 (392/432) ======================= q-point: (-0.45 0.18 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -1.628 7.250 10.461) 12.832 2.753 ( -5.014 6.588 12.989) 15.403 3.061 ( -2.740 -4.888 -0.978) 5.688 3.105 ( 10.089 -0.354 -7.248) 12.428 3.351 ( -10.728 -3.641 1.941) 11.494 3.459 ( -9.476 -4.830 -6.108) 12.265 3.766 ( -1.602 3.190 -2.403) 4.303 4.440 ( -9.638 -1.280 -4.205) 10.593 4.843 ( 1.915 2.884 8.010) 8.726 5.088 ( 10.884 -5.582 2.324) 12.451 5.488 ( 5.035 2.228 7.057) 8.950 5.599 ( 12.874 1.529 1.134) 13.014 6.678 ( 6.046 -1.703 -0.003) 6.281 7.295 ( -6.595 -14.794 1.545) 16.271 7.584 ( -1.083 4.757 3.840) 6.208 8.431 ( -8.962 -17.126 5.292) 20.041 9.608 ( -2.910 4.820 14.279) 15.349 9.746 ( -2.920 -11.664 8.171) 14.537 10.192 ( 11.131 3.700 6.227) 13.280 10.542 ( -22.104 -1.562 25.273) 33.612 10.964 ( 12.219 9.804 -22.261) 27.221 11.100 ( 11.501 9.188 -22.256) 26.684 11.961 ( 8.902 21.158 -1.902) 23.033 12.802 ( -12.181 -1.010 -1.227) 12.284 13.575 ( 1.058 -0.911 7.119) 7.254 13.905 ( -3.144 0.230 5.045) 5.949 14.238 ( 3.160 -6.684 -6.876) 10.097 14.770 ( -5.309 4.068 -0.243) 6.692 17.721 ( 9.888 1.273 -20.136) 22.469 18.455 ( 0.278 -7.690 22.569) 23.845 19.376 ( -9.017 6.373 -11.523) 15.959 19.915 ( 1.033 -0.069 -5.063) 5.167 20.448 ( 18.872 -5.701 1.194) 19.751 22.759 ( -22.765 -11.118 7.334) 26.375 23.996 ( 6.744 13.010 -5.288) 15.579 24.630 ( -8.847 -1.795 -4.859) 10.251 ======================= Grid point 779 (393/432) ======================= q-point: (-0.36 0.18 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( -7.056 4.364 8.526) 11.897 2.780 ( -5.538 7.422 11.312) 14.619 2.948 ( -7.365 -2.775 -2.990) 8.419 3.193 ( 2.694 1.399 2.500) 3.932 3.316 ( -3.907 -7.007 -11.297) 13.856 3.368 ( 5.944 2.064 2.568) 6.796 3.715 ( 0.724 -2.159 -5.231) 5.705 4.262 ( -10.856 -0.306 -4.327) 11.690 4.941 ( 3.256 3.954 8.357) 9.802 5.262 ( 6.883 -3.726 -0.283) 7.832 5.623 ( 2.106 1.644 11.007) 11.327 5.770 ( 12.911 -0.445 -0.614) 12.933 6.799 ( 8.361 -3.555 0.491) 9.099 7.317 ( -4.067 -6.854 -2.858) 8.467 7.659 ( 1.809 -6.627 10.276) 12.361 8.526 ( -10.975 -21.607 4.615) 24.670 9.681 ( -3.586 6.450 15.167) 16.867 9.941 ( 1.080 -13.457 7.595) 15.490 10.358 ( 4.806 5.865 10.667) 13.087 10.531 ( -16.647 7.924 20.840) 27.825 10.786 ( 4.092 7.514 -9.412) 12.720 11.010 ( 19.779 0.205 -25.371) 32.171 11.795 ( 2.804 25.198 -5.909) 26.033 12.586 ( -17.467 -0.894 -4.009) 17.944 13.670 ( 1.345 2.342 8.178) 8.612 13.920 ( -0.282 4.543 4.853) 6.653 14.266 ( 3.002 -6.800 -5.612) 9.314 14.629 ( -6.191 3.481 -4.897) 8.627 17.682 ( 14.697 0.293 -13.693) 20.090 18.743 ( -0.662 -9.045 11.852) 14.924 19.074 ( -7.580 5.262 -9.284) 13.090 19.819 ( -4.867 -0.137 -6.406) 8.047 20.828 ( 27.292 -2.952 4.077) 27.753 22.587 ( -27.630 -10.274 4.059) 29.757 23.943 ( 8.745 9.202 -4.982) 13.638 24.444 ( -11.053 1.324 -4.376) 11.961 ======================= Grid point 780 (394/432) ======================= q-point: (-0.27 0.18 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -4.336 0.404 8.074) 9.174 2.704 ( -6.252 2.636 0.282) 6.791 2.924 ( -1.993 -0.458 4.629) 5.060 3.178 ( -5.590 0.387 -3.202) 6.454 3.239 ( 0.562 -1.322 0.445) 1.504 3.486 ( 12.221 4.447 -2.220) 13.193 3.704 ( 2.590 -4.551 -4.689) 7.028 4.065 ( -10.896 1.381 -4.563) 11.893 5.048 ( 3.393 3.667 8.429) 9.798 5.317 ( 1.777 0.327 -2.188) 2.838 5.753 ( -0.530 -0.286 10.578) 10.595 5.915 ( 9.774 -1.964 -2.735) 10.337 6.955 ( 7.475 -4.141 1.962) 8.767 7.251 ( -4.001 -1.550 -4.349) 6.109 7.970 ( 8.622 -17.164 13.482) 23.467 8.597 ( -12.359 -25.072 0.230) 27.954 9.753 ( -4.363 5.055 15.547) 16.920 10.099 ( -0.634 -9.526 0.158) 9.548 10.436 ( 10.513 22.479 2.289) 24.921 10.473 ( -22.516 -0.990 28.220) 36.115 10.762 ( 6.800 5.508 -3.347) 9.369 11.008 ( 15.574 -2.394 -21.167) 26.388 11.556 ( 6.545 23.052 -3.710) 24.248 12.268 ( -21.256 -0.641 -8.157) 22.777 13.752 ( 0.660 4.898 8.880) 10.163 13.922 ( 2.711 9.234 2.323) 9.900 14.293 ( -0.330 -3.721 -1.391) 3.987 14.470 ( -3.217 -2.076 -9.057) 9.833 17.794 ( 17.719 0.130 -4.348) 18.245 18.599 ( -17.275 -1.099 -12.945) 21.615 19.137 ( 9.543 -3.703 8.356) 13.213 19.665 ( -7.117 -0.101 -6.439) 9.598 21.281 ( 30.062 -1.089 5.906) 30.656 22.290 ( -31.174 -7.241 -0.902) 32.016 23.964 ( 10.246 5.174 -3.025) 11.870 24.237 ( -11.587 2.801 -2.339) 12.149 ======================= Grid point 781 (395/432) ======================= q-point: (-0.18 0.18 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -2.000 -1.614 7.803) 8.215 2.640 ( 1.352 -0.435 -3.177) 3.480 2.963 ( -0.379 -0.389 3.795) 3.834 3.070 ( -1.661 0.754 -5.397) 5.696 3.290 ( -2.257 -1.224 8.226) 8.617 3.508 ( 7.617 3.370 -10.474) 13.382 3.765 ( 0.743 0.588 3.600) 3.722 3.869 ( -3.496 2.296 -5.897) 7.230 5.150 ( 2.329 2.766 7.306) 8.151 5.268 ( -1.369 2.288 -4.434) 5.174 5.838 ( -4.697 -1.313 8.996) 10.233 5.986 ( 5.188 -2.287 -5.465) 7.874 7.058 ( -5.961 -1.519 5.828) 8.473 7.189 ( 5.117 -2.103 -6.556) 8.579 8.434 ( 10.431 -22.824 13.390) 28.443 8.624 ( -10.503 -26.165 -5.506) 28.727 9.837 ( -5.080 2.649 16.489) 17.456 10.086 ( -1.559 -2.220 -7.209) 7.703 10.410 ( -1.249 18.029 13.701) 22.679 10.531 ( -10.628 2.403 14.662) 18.268 10.614 ( -4.761 18.489 -4.602) 19.639 10.983 ( 18.996 -2.089 -21.707) 28.920 11.659 ( 21.557 6.703 8.233) 24.030 11.870 ( -21.846 -0.213 -11.595) 24.734 13.782 ( -3.100 7.986 7.383) 11.309 13.883 ( 4.681 10.968 -2.317) 12.148 14.279 ( -6.360 -2.407 4.268) 8.028 14.417 ( 4.579 -5.947 -9.370) 12.006 18.033 ( 18.806 0.345 3.831) 19.196 18.208 ( -19.065 0.160 -12.836) 22.984 19.376 ( 5.213 -4.269 6.217) 9.168 19.507 ( -2.926 -0.269 -6.768) 7.378 21.758 ( 27.023 -0.772 7.827) 28.145 21.891 ( -28.295 -4.087 -5.198) 29.057 24.045 ( -10.571 3.165 -0.600) 11.050 24.049 ( 10.156 2.438 -1.134) 10.506 ======================= Grid point 782 (396/432) ======================= q-point: (-0.09 0.18 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -1.671 -1.700 0.781) 2.509 2.686 ( 7.811 0.245 -1.348) 7.930 2.962 ( -3.252 0.958 0.296) 3.403 3.049 ( 2.557 -0.082 1.197) 2.824 3.351 ( -3.146 -1.472 2.678) 4.386 3.444 ( 5.431 1.763 -8.683) 10.393 3.676 ( -7.052 -0.014 3.101) 7.704 3.930 ( 10.593 4.971 2.183) 11.903 5.147 ( -3.802 2.246 -6.217) 7.626 5.224 ( 0.689 1.807 4.348) 4.759 5.846 ( -9.926 -1.539 7.087) 12.293 5.968 ( 1.265 -1.945 -8.150) 8.474 6.982 ( -13.350 -1.811 4.850) 14.319 7.239 ( 6.758 0.521 -3.869) 7.805 8.565 ( -13.660 -24.730 -8.162) 29.408 8.945 ( 11.399 -23.497 7.819) 27.261 9.905 ( -10.342 10.053 12.349) 18.987 9.957 ( -2.143 2.379 -7.964) 8.583 10.192 ( -9.790 13.902 -3.402) 17.341 10.397 ( -2.674 13.765 11.616) 18.208 10.703 ( 3.743 0.052 13.309) 13.825 11.032 ( 22.243 0.496 -20.378) 30.171 11.475 ( -15.506 -1.214 -13.651) 20.694 12.068 ( 23.823 -0.011 12.776) 27.032 13.701 ( -4.586 8.558 1.801) 9.875 13.821 ( 3.878 9.604 -4.033) 11.115 14.298 ( -6.739 -5.133 8.066) 11.697 14.429 ( 4.943 -1.173 -6.052) 7.902 17.832 ( -19.314 0.099 -8.028) 20.917 18.357 ( 18.759 0.204 9.675) 21.108 19.299 ( -11.241 -1.103 -3.367) 11.787 19.611 ( 10.622 -1.701 0.577) 10.772 21.441 ( -29.212 -2.490 -6.577) 30.047 22.261 ( 29.549 -1.202 9.060) 30.930 23.873 ( -10.762 2.433 -0.197) 11.036 24.173 ( 11.237 1.657 0.033) 11.359 ======================= Grid point 786 (397/432) ======================= q-point: ( 0.27 0.27 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 10.068 -0.000 4.461) 11.012 2.570 ( 14.997 -0.000 -2.967) 15.288 2.764 ( -6.062 0.000 7.255) 9.454 3.110 ( -0.758 0.000 -5.303) 5.357 3.626 ( -2.377 0.000 -0.259) 2.391 3.888 ( -22.638 0.000 5.765) 23.360 4.078 ( -10.386 0.000 3.723) 11.033 4.553 ( -3.429 0.000 4.331) 5.524 4.652 ( 4.554 -0.000 8.372) 9.531 4.696 ( 5.688 -0.000 -3.829) 6.856 5.316 ( -1.487 0.000 10.443) 10.548 5.422 ( 11.118 -0.000 -17.901) 21.072 6.627 ( -3.762 0.000 2.893) 4.746 7.119 ( -5.461 0.000 -0.703) 5.506 7.540 ( 1.146 -0.000 2.766) 2.994 8.644 ( -19.311 0.000 -9.934) 21.716 9.389 ( -6.963 0.000 3.288) 7.700 9.533 ( -3.382 0.000 18.716) 19.019 9.921 ( 9.350 -0.000 -3.687) 10.051 10.534 ( -21.784 0.000 24.266) 32.610 11.165 ( 29.634 -0.000 -37.227) 47.581 11.674 ( 7.013 -0.000 -10.694) 12.789 11.981 ( 17.948 -0.000 2.370) 18.104 12.951 ( -2.785 0.000 -0.379) 2.811 13.290 ( 1.479 -0.000 0.784) 1.674 13.893 ( -2.194 0.000 0.955) 2.392 14.187 ( 1.095 -0.000 -5.714) 5.818 14.807 ( -3.982 0.000 13.894) 14.454 17.697 ( -7.734 0.000 34.106) 34.972 18.185 ( 1.023 -0.000 -23.232) 23.254 19.752 ( 6.521 -0.000 -0.446) 6.536 19.932 ( 4.385 -0.000 2.545) 5.070 20.129 ( -3.441 0.000 -11.647) 12.145 22.905 ( -19.047 0.000 7.184) 20.357 24.323 ( 6.563 -0.000 4.126) 7.752 24.595 ( 2.310 -0.000 -4.192) 4.786 ======================= Grid point 787 (398/432) ======================= q-point: ( 0.36 0.27 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 6.653 3.419 9.447) 12.049 2.736 ( 9.696 -2.897 -2.952) 10.541 2.850 ( 3.182 0.067 12.898) 13.285 3.061 ( 2.468 -2.724 -6.891) 7.810 3.495 ( -13.464 0.350 -2.452) 13.690 3.606 ( -22.907 -1.408 1.316) 22.988 3.966 ( -8.478 3.234 0.314) 9.079 4.562 ( -5.552 0.361 2.456) 6.082 4.757 ( 5.378 0.732 4.759) 7.218 4.803 ( 5.719 -3.484 3.635) 7.620 5.421 ( 12.205 1.859 -6.668) 14.032 5.457 ( 6.033 -0.082 6.761) 9.061 6.623 ( 1.584 0.515 -0.163) 1.674 7.060 ( -7.095 -6.392 0.580) 9.568 7.636 ( 0.564 1.427 10.298) 10.412 8.318 ( -15.883 -3.056 -6.708) 17.510 9.384 ( -4.454 -6.090 4.945) 9.021 9.687 ( -4.265 3.525 19.100) 19.885 10.031 ( 11.364 -0.180 -0.745) 11.390 10.515 ( -24.452 -0.613 26.107) 35.775 11.110 ( 26.153 0.663 -36.719) 45.086 11.574 ( 6.814 8.421 -16.608) 19.829 12.203 ( 17.185 8.857 1.764) 19.413 12.884 ( -7.582 -1.599 -0.228) 7.752 13.381 ( 2.984 -4.023 5.663) 7.561 13.873 ( -4.434 -1.134 2.916) 5.427 14.152 ( 1.946 -2.415 -5.810) 6.586 14.868 ( -5.547 1.260 8.756) 10.441 17.916 ( 2.384 4.505 -11.740) 12.799 18.034 ( -3.488 -6.243 20.597) 21.803 19.780 ( -3.711 4.664 -7.946) 9.933 19.914 ( 7.330 5.726 -2.527) 9.639 20.090 ( 6.565 -10.148 -4.986) 13.074 22.756 ( -19.280 -3.038 8.469) 21.276 24.329 ( 2.107 12.303 -1.242) 12.543 24.601 ( -1.807 -8.888 -4.036) 9.927 ======================= Grid point 788 (399/432) ======================= q-point: ( 0.45 0.27 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( -5.307 2.895 9.379) 11.159 2.828 ( 0.172 2.133 8.454) 8.721 3.010 ( 2.523 -0.090 0.556) 2.585 3.097 ( 12.483 -1.019 -4.502) 13.309 3.287 ( -11.945 -3.278 -3.347) 12.831 3.389 ( -14.476 -3.040 2.544) 15.009 3.827 ( -5.355 2.603 -3.621) 6.969 4.439 ( -10.206 1.342 -2.536) 10.602 4.879 ( 3.665 1.629 7.869) 8.832 4.987 ( 9.456 -5.992 2.328) 11.434 5.527 ( 11.042 2.388 0.517) 11.309 5.622 ( 7.024 0.636 6.719) 9.741 6.662 ( 5.409 -0.320 -0.825) 5.481 7.058 ( -6.228 -11.345 1.676) 13.050 7.688 ( -3.228 6.930 7.035) 10.390 8.178 ( -11.285 -12.781 1.611) 17.126 9.487 ( -0.757 -9.166 7.841) 12.086 9.786 ( -5.154 6.667 17.655) 19.563 10.209 ( 12.301 -1.144 3.041) 12.723 10.498 ( -25.114 -2.332 27.142) 37.051 11.027 ( 23.203 0.864 -33.827) 41.029 11.356 ( 6.132 15.246 -18.375) 24.651 12.300 ( 13.159 17.461 -1.415) 21.910 12.771 ( -11.663 -2.748 -1.223) 12.044 13.532 ( 2.898 -3.530 7.809) 9.046 13.876 ( -3.448 -3.002 4.310) 6.283 14.145 ( 2.988 -3.583 -5.783) 7.430 14.835 ( -7.994 3.037 4.315) 9.579 17.744 ( 9.527 1.232 -21.894) 23.909 18.341 ( -4.003 -5.231 27.967) 28.732 19.498 ( -10.274 7.203 -11.708) 17.162 19.904 ( -1.175 -1.073 -5.295) 5.529 20.341 ( 24.136 -6.107 -0.481) 24.901 22.624 ( -21.160 -5.114 8.331) 23.309 24.211 ( 1.927 12.208 -4.385) 13.114 24.562 ( -6.296 -6.148 -4.938) 10.091 ======================= Grid point 789 (400/432) ======================= q-point: (-0.45 0.27 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( -11.195 1.407 6.957) 13.255 2.883 ( -6.718 4.562 9.154) 12.236 2.927 ( -6.618 0.702 -1.548) 6.832 3.183 ( -1.743 -6.989 -5.783) 9.237 3.219 ( 6.436 1.524 -1.298) 6.741 3.391 ( 4.775 -0.336 5.564) 7.340 3.713 ( -0.584 1.008 -6.935) 7.032 4.252 ( -11.990 -0.259 -3.081) 12.382 4.997 ( 3.995 2.654 7.155) 8.614 5.173 ( 7.546 -6.206 0.837) 9.806 5.661 ( 5.254 2.662 7.124) 9.243 5.775 ( 8.497 0.433 2.849) 8.972 6.751 ( 7.224 -2.116 0.073) 7.528 7.118 ( -3.601 -13.393 0.832) 13.894 7.656 ( -1.687 4.145 5.075) 6.766 8.199 ( -12.362 -17.328 4.352) 21.726 9.672 ( 0.992 -7.914 9.775) 12.616 9.860 ( -4.476 4.594 16.215) 17.438 10.394 ( -4.141 0.667 15.630) 16.183 10.539 ( -7.927 -4.331 17.266) 19.486 10.952 ( 20.459 2.925 -28.147) 34.920 11.105 ( 7.453 15.214 -16.883) 23.917 12.215 ( 6.486 22.949 -5.998) 24.590 12.578 ( -16.132 0.007 -2.972) 16.404 13.681 ( 2.320 -0.885 8.795) 9.139 13.938 ( 1.484 -3.111 4.651) 5.789 14.154 ( 3.351 -4.477 -6.442) 8.530 14.706 ( -10.717 4.597 0.536) 11.674 17.688 ( 14.685 0.345 -14.514) 20.650 18.610 ( -3.264 -6.457 16.925) 18.406 19.171 ( -10.475 5.921 -9.278) 15.194 19.802 ( -4.808 -1.736 -7.306) 8.917 20.766 ( 30.905 -4.021 2.511) 31.267 22.451 ( -25.144 -5.809 6.015) 26.498 24.102 ( 3.975 9.397 -4.906) 11.321 24.437 ( -8.927 -2.147 -4.925) 10.419 ======================= Grid point 790 (401/432) ======================= q-point: (-0.36 0.27 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( -7.007 -0.193 7.069) 9.955 2.730 ( -7.895 0.527 -4.050) 8.889 2.937 ( -2.887 1.775 7.366) 8.109 3.135 ( -0.374 -3.077 -7.293) 7.924 3.263 ( -2.670 2.413 7.544) 8.359 3.570 ( 13.626 2.699 3.128) 14.238 3.635 ( 3.383 -1.254 -9.725) 10.373 4.064 ( -11.953 -1.089 -3.509) 12.505 5.102 ( 3.423 2.493 6.675) 7.905 5.288 ( 3.260 -3.732 -1.157) 5.089 5.769 ( 0.103 2.093 9.169) 9.405 5.895 ( 7.689 -0.516 -0.895) 7.758 6.885 ( 6.946 -4.144 1.939) 8.317 7.161 ( -4.014 -9.080 -2.808) 10.318 7.760 ( 5.437 -7.082 8.491) 12.321 8.219 ( -12.674 -19.553 1.108) 23.328 9.814 ( -2.584 0.743 11.662) 11.968 9.963 ( -2.632 -4.479 8.652) 10.092 10.441 ( -23.417 -1.819 27.395) 36.086 10.727 ( 11.105 4.530 6.036) 13.427 10.858 ( 12.995 11.399 -13.373) 21.855 10.983 ( 15.209 0.959 -20.455) 25.508 11.986 ( 4.062 25.735 -7.574) 27.132 12.286 ( -18.976 2.894 -5.256) 19.902 13.799 ( -0.614 0.699 10.164) 10.206 14.050 ( 7.380 5.333 3.273) 9.675 14.170 ( 3.687 -9.037 -6.949) 11.981 14.501 ( -12.274 4.327 -2.385) 13.232 17.797 ( 18.109 0.170 -4.526) 18.667 18.578 ( -15.101 -1.348 -8.988) 17.625 19.091 ( 2.870 -1.717 9.244) 9.831 19.654 ( -5.660 -1.179 -8.467) 10.252 21.252 ( 32.750 -2.300 4.065) 33.081 22.184 ( -29.334 -5.084 1.860) 29.829 24.059 ( 6.539 5.926 -3.384) 9.451 24.269 ( -9.895 0.924 -3.194) 10.438 ======================= Grid point 791 (402/432) ======================= q-point: (-0.27 0.27 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( -2.142 -1.114 7.582) 7.957 2.629 ( 1.092 -0.868 -5.014) 5.205 2.965 ( -1.693 0.574 4.640) 4.972 3.072 ( 0.426 -0.458 -6.039) 6.071 3.294 ( -6.003 1.745 11.918) 13.458 3.564 ( 8.871 2.816 -13.934) 16.756 3.761 ( 1.991 -0.563 6.437) 6.761 3.888 ( -2.851 0.219 -6.035) 6.678 5.192 ( 1.662 1.778 6.186) 6.647 5.290 ( -0.953 -0.127 -3.714) 3.836 5.830 ( -4.179 0.619 8.181) 9.208 5.956 ( 4.548 -1.198 -4.158) 6.278 7.013 ( -3.168 -3.930 5.280) 7.305 7.127 ( 1.728 -5.459 -5.538) 7.966 8.086 ( 9.691 -17.695 9.412) 22.263 8.224 ( -8.413 -20.871 -4.078) 22.870 9.878 ( -6.487 2.119 13.322) 14.968 10.027 ( 1.065 -3.860 -1.399) 4.242 10.450 ( -24.246 -3.086 26.214) 35.841 10.757 ( 4.988 14.640 3.642) 15.889 10.879 ( 0.066 10.749 -5.429) 12.043 10.950 ( 23.072 -1.486 -22.527) 32.280 11.850 ( 12.104 15.698 0.303) 19.825 11.930 ( -15.673 8.029 -6.799) 18.876 13.882 ( -3.036 2.876 10.535) 11.335 14.052 ( 4.215 7.771 -5.026) 10.169 14.250 ( -4.159 -1.067 1.935) 4.709 14.319 ( 1.823 -3.816 -5.554) 6.981 18.040 ( 19.093 0.482 3.904) 19.494 18.213 ( -18.990 0.434 -12.426) 22.699 19.302 ( 3.961 -4.461 9.761) 11.439 19.498 ( -1.963 -0.747 -9.561) 9.789 21.741 ( 27.295 -1.247 5.035) 27.783 21.820 ( -26.295 -4.058 -2.794) 26.753 24.090 ( -2.203 2.498 -0.340) 3.348 24.104 ( 0.532 3.451 -1.656) 3.865 ======================= Grid point 792 (403/432) ======================= q-point: (-0.18 0.27 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( -0.260 -0.360 2.319) 2.361 2.679 ( 9.813 -0.823 -1.979) 10.045 2.985 ( -2.898 1.564 3.771) 5.007 3.038 ( 2.270 -0.910 -1.025) 2.651 3.333 ( -5.784 -0.416 7.151) 9.207 3.500 ( 8.773 4.320 -12.713) 16.039 3.661 ( -10.804 -1.851 0.618) 10.979 3.991 ( 12.079 2.381 2.284) 12.522 5.186 ( -4.332 2.006 -5.144) 7.018 5.254 ( -0.302 1.221 3.809) 4.011 5.825 ( -9.078 -0.631 6.102) 10.956 5.938 ( 1.128 -1.255 -7.195) 7.390 6.943 ( -13.557 -2.879 2.928) 14.166 7.222 ( 7.809 -3.137 -1.479) 8.545 8.176 ( -10.683 -20.730 -6.484) 24.205 8.549 ( 15.173 -22.764 4.821) 27.779 9.919 ( -6.829 -1.748 9.093) 11.505 10.031 ( 1.869 3.095 -1.792) 4.035 10.434 ( -19.762 1.793 17.249) 26.292 10.557 ( -12.691 16.438 -4.654) 21.282 10.770 ( 2.295 4.498 4.227) 6.585 11.036 ( 25.570 0.009 -22.322) 33.943 11.561 ( -12.949 12.969 -4.563) 18.886 12.096 ( 23.042 3.738 8.181) 24.735 13.855 ( -5.631 8.953 2.272) 10.818 13.969 ( 2.340 6.398 -4.548) 8.191 14.196 ( -7.848 -6.472 5.246) 11.445 14.419 ( 9.760 0.761 -2.094) 10.011 17.834 ( -19.692 0.149 -8.111) 21.298 18.362 ( 18.625 0.431 9.284) 20.815 19.282 ( -9.057 -0.667 -4.415) 10.098 19.572 ( 11.091 -2.952 1.646) 11.595 21.392 ( -30.316 -3.233 -4.780) 30.860 22.232 ( 31.222 -2.159 4.746) 31.655 23.929 ( -10.419 4.135 0.372) 11.216 24.201 ( 9.749 1.543 1.092) 9.930 ======================= Grid point 793 (404/432) ======================= q-point: (-0.09 0.27 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 1.622 2.710 -3.627) 4.809 2.767 ( 4.153 2.442 -2.528) 5.441 2.974 ( 3.327 0.967 0.865) 3.571 3.090 ( -4.447 1.165 5.204) 6.944 3.297 ( -0.733 -1.907 -1.011) 2.279 3.450 ( 7.443 1.573 -7.821) 10.910 3.670 ( -0.249 -4.649 7.180) 8.557 4.144 ( 9.955 4.191 3.791) 11.447 5.028 ( -5.776 2.745 -6.761) 9.307 5.255 ( -3.995 0.800 2.373) 4.715 5.737 ( -14.042 -1.303 3.869) 14.623 5.852 ( -0.716 -1.342 -10.077) 10.191 6.821 ( -14.541 -3.390 4.150) 15.497 7.298 ( 4.719 1.754 -1.134) 5.161 8.130 ( -7.202 -19.147 -10.306) 22.906 8.939 ( 8.375 -21.167 1.326) 22.802 9.840 ( -4.039 5.621 -10.298) 12.408 9.965 ( -12.357 14.455 5.800) 19.882 10.201 ( -7.137 4.918 9.809) 13.090 10.444 ( -11.617 -0.248 7.093) 13.614 10.826 ( -0.397 -6.924 1.488) 7.093 11.125 ( 25.761 -1.062 -22.293) 34.084 11.321 ( -0.161 15.320 1.000) 15.353 12.485 ( 21.209 -0.974 8.218) 22.766 13.714 ( -2.820 7.058 -2.836) 8.113 13.886 ( 1.954 8.857 -3.985) 9.907 14.244 ( -7.567 -7.408 9.099) 13.962 14.484 ( 6.389 5.066 -0.967) 8.211 17.534 ( -18.507 -0.250 0.224) 18.510 18.723 ( 17.485 -0.495 12.257) 21.359 19.102 ( -8.217 -0.063 -7.493) 11.121 19.730 ( 6.566 -0.452 2.098) 6.908 20.989 ( -24.493 -3.327 -6.417) 25.537 22.713 ( 28.498 -3.910 6.272) 29.441 23.758 ( -10.874 4.298 0.219) 11.695 24.342 ( 10.271 1.725 2.428) 10.694 ======================= Grid point 798 (405/432) ======================= q-point: ( 0.36 0.36 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( -7.963 0.000 9.136) 12.120 2.838 ( 5.382 -0.000 5.038) 7.373 3.040 ( 6.982 -0.000 -7.454) 10.213 3.069 ( 11.081 -0.000 6.815) 13.009 3.255 ( -16.745 0.000 -3.880) 17.189 3.366 ( -13.209 0.000 3.926) 13.781 3.845 ( -7.862 0.000 -3.760) 8.715 4.460 ( -10.910 0.000 -1.832) 11.063 4.909 ( 10.002 -0.000 2.371) 10.279 4.912 ( 3.926 -0.000 7.570) 8.527 5.553 ( 15.529 -0.000 -4.312) 16.117 5.622 ( 2.582 -0.000 11.238) 11.531 6.661 ( 5.099 -0.000 -1.154) 5.228 6.957 ( -5.494 0.000 1.315) 5.649 7.770 ( -3.852 0.000 13.169) 13.721 8.047 ( -12.650 0.000 -4.287) 13.357 9.407 ( 0.783 -0.000 8.042) 8.080 9.851 ( -7.223 0.000 19.924) 21.193 10.189 ( 14.237 -0.000 -0.004) 14.237 10.479 ( -26.610 0.000 27.909) 38.561 11.033 ( 24.110 -0.000 -35.433) 42.858 11.497 ( 6.834 -0.000 -19.421) 20.588 12.472 ( 15.878 -0.000 -1.488) 15.947 12.731 ( -12.444 0.000 -1.135) 12.495 13.494 ( 4.271 -0.000 7.933) 9.009 13.843 ( -4.955 0.000 4.097) 6.430 14.117 ( 3.020 -0.000 -4.371) 5.313 14.861 ( -8.663 0.000 5.532) 10.278 17.755 ( 9.540 -0.000 -23.307) 25.183 18.295 ( -5.617 0.000 30.753) 31.262 19.570 ( -12.191 0.000 -11.583) 16.816 19.891 ( -2.823 0.000 -5.841) 6.487 20.282 ( 28.097 -0.000 -0.755) 28.108 22.582 ( -20.449 0.000 8.504) 22.147 24.362 ( -1.946 0.000 -3.419) 3.934 24.462 ( -3.303 0.000 -5.521) 6.433 ======================= Grid point 799 (406/432) ======================= q-point: ( 0.45 0.36 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( -12.974 -0.189 6.671) 14.590 2.922 ( -9.460 0.775 2.851) 9.911 2.978 ( -2.200 4.343 0.011) 4.868 3.075 ( -1.869 -5.586 -2.744) 6.498 3.251 ( 8.300 1.473 1.096) 8.500 3.377 ( 4.514 -0.750 4.698) 6.558 3.720 ( -1.722 -0.107 -5.354) 5.625 4.261 ( -13.639 0.846 -2.960) 13.982 5.031 ( 4.732 1.610 5.644) 7.539 5.080 ( 7.749 -4.031 2.058) 8.974 5.706 ( 9.854 2.255 2.400) 10.390 5.771 ( 3.291 -0.817 7.576) 8.301 6.729 ( 6.298 -0.546 -0.499) 6.341 6.948 ( -2.286 -5.699 1.319) 6.281 7.762 ( -6.267 8.094 5.511) 11.626 7.948 ( -10.555 -12.391 2.876) 16.530 9.567 ( 4.396 -3.428 10.162) 11.591 9.939 ( -9.658 3.092 18.014) 20.673 10.406 ( 6.192 0.936 8.791) 10.793 10.462 ( -15.203 -3.688 21.392) 26.502 10.960 ( 23.040 -0.104 -32.076) 39.493 11.328 ( 4.365 7.886 -16.690) 18.968 12.501 ( -1.999 9.225 -4.514) 10.463 12.585 ( -4.220 0.801 -3.709) 5.675 13.660 ( 6.447 -0.973 7.353) 9.828 13.852 ( -2.799 -4.454 4.419) 6.870 14.125 ( 4.092 -0.178 -3.185) 5.189 14.762 ( -12.128 1.834 2.526) 12.524 17.692 ( 14.749 0.161 -15.279) 21.237 18.535 ( -4.687 -2.331 20.385) 21.046 19.252 ( -14.132 2.980 -9.105) 17.073 19.772 ( -3.931 -1.333 -8.113) 9.113 20.711 ( 33.608 -1.913 1.929) 33.718 22.390 ( -23.462 -1.741 6.321) 24.361 24.246 ( -0.553 7.187 -4.967) 8.754 24.377 ( -5.995 -4.621 -4.746) 8.934 ======================= Grid point 800 (407/432) ======================= q-point: (-0.45 0.36 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( -7.741 -0.628 6.434) 10.085 2.732 ( -9.579 -0.034 -4.499) 10.583 2.963 ( -1.892 0.795 3.017) 3.649 3.107 ( -0.007 -0.204 -0.782) 0.808 3.300 ( -1.328 2.008 5.895) 6.368 3.525 ( 7.100 -3.870 1.250) 8.183 3.697 ( 10.913 4.222 -6.711) 13.489 4.042 ( -14.482 -1.060 -2.427) 14.722 5.130 ( 3.281 0.997 4.510) 5.666 5.212 ( 4.307 -4.443 0.262) 6.193 5.814 ( 1.981 3.002 6.751) 7.650 5.887 ( 4.883 -0.755 1.914) 5.299 6.825 ( 5.372 -2.697 1.329) 6.156 6.996 ( -1.469 -8.567 -0.690) 8.719 7.719 ( -0.173 1.333 4.431) 4.631 7.949 ( -10.197 -12.699 1.960) 16.404 9.771 ( 5.003 -3.456 8.725) 10.634 9.961 ( -10.749 1.867 13.657) 17.480 10.417 ( -25.763 -0.980 27.849) 37.951 10.722 ( 20.060 -1.634 1.897) 20.216 10.922 ( 21.435 -0.527 -27.293) 34.708 11.132 ( -0.025 10.007 -8.947) 13.424 12.311 ( -5.165 7.954 -5.565) 10.996 12.398 ( -6.571 13.297 -6.005) 16.002 13.796 ( -0.361 -0.060 8.417) 8.425 13.971 ( 6.132 -10.032 -0.048) 11.757 14.154 ( 6.996 3.212 -1.222) 7.794 14.573 ( -14.923 3.527 -0.042) 15.334 17.800 ( 18.501 0.128 -4.766) 19.106 18.557 ( -12.617 -1.061 -4.539) 13.450 19.078 ( -4.635 -0.029 8.683) 9.843 19.631 ( -3.660 -1.345 -9.866) 10.609 21.213 ( 34.929 -2.002 3.219) 35.134 22.123 ( -27.500 -2.278 2.464) 27.704 24.153 ( 2.164 5.102 -3.583) 6.599 24.267 ( -7.180 -1.217 -3.302) 7.996 ======================= Grid point 801 (408/432) ======================= q-point: (-0.36 0.36 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( -0.739 -0.529 6.951) 7.010 2.612 ( -0.003 -1.154 -5.464) 5.585 2.980 ( -1.200 1.091 3.932) 4.253 3.062 ( -0.096 -0.517 -4.420) 4.451 3.336 ( -6.612 2.686 12.059) 14.013 3.586 ( 8.222 -0.273 -10.755) 13.541 3.764 ( -4.345 0.967 4.447) 6.292 3.885 ( 4.342 -0.289 -6.009) 7.419 5.203 ( 0.748 -0.384 4.006) 4.093 5.261 ( -0.134 -2.845 -2.028) 3.497 5.858 ( -3.370 2.390 6.595) 7.782 5.946 ( 3.555 -0.114 -2.160) 4.161 6.933 ( -1.044 -5.028 4.038) 6.533 7.012 ( -0.951 -7.660 -3.370) 8.423 7.862 ( 7.084 -8.944 5.395) 12.620 7.944 ( -4.866 -12.379 -2.365) 13.510 9.907 ( -6.865 1.356 10.170) 12.345 9.970 ( 2.578 -2.731 3.257) 4.971 10.402 ( -25.217 -2.358 26.529) 36.677 10.902 ( 13.034 1.101 -17.863) 22.140 10.950 ( 3.865 4.062 -5.984) 8.200 10.994 ( 11.242 3.286 -3.418) 12.201 12.103 ( -11.012 13.053 -0.538) 17.086 12.154 ( 6.847 16.599 -5.968) 18.921 13.878 ( -3.585 -2.299 9.900) 10.777 14.056 ( 2.227 -6.493 -7.629) 10.263 14.279 ( 11.166 4.989 3.492) 12.718 14.332 ( -11.567 3.360 -2.018) 12.213 18.049 ( 19.482 0.462 3.990) 19.892 18.222 ( -19.044 0.527 -12.228) 22.638 19.234 ( 2.042 -3.426 12.932) 13.533 19.485 ( -0.615 -0.786 -11.572) 11.615 21.717 ( 32.022 -1.551 2.846) 32.185 21.763 ( -28.670 -2.545 -1.760) 28.837 24.128 ( -4.259 1.887 0.397) 4.675 24.156 ( 1.475 2.583 -2.236) 3.721 ======================= Grid point 802 (409/432) ======================= q-point: (-0.27 -0.64 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( 2.224 0.332 1.906) 2.948 2.663 ( 10.815 -1.077 -1.098) 10.924 2.992 ( -2.514 -0.913 4.905) 5.587 3.044 ( 2.677 1.691 -2.814) 4.236 3.339 ( -8.222 1.330 7.889) 11.472 3.565 ( 10.248 2.177 -10.885) 15.108 3.621 ( -14.292 -1.996 0.323) 14.434 4.020 ( 13.872 1.542 0.347) 13.962 5.202 ( -4.665 -0.218 -3.159) 5.638 5.251 ( -1.589 -1.697 2.104) 3.135 5.831 ( -7.875 1.214 4.214) 9.014 5.933 ( 0.935 0.552 -5.154) 5.267 6.886 ( -12.279 -3.864 1.562) 12.967 7.121 ( 5.658 -8.698 0.657) 10.397 7.905 ( -5.322 -10.988 -5.339) 13.325 8.207 ( 15.835 -17.465 2.392) 23.695 9.885 ( -7.659 -2.065 6.215) 10.077 10.071 ( 6.358 1.898 -0.881) 6.694 10.391 ( -23.473 -3.396 24.147) 33.846 10.789 ( -12.327 -1.335 0.343) 12.404 10.810 ( -2.703 9.309 -10.181) 14.057 11.061 ( 21.548 4.223 -19.887) 29.625 11.869 ( -5.565 21.012 3.600) 22.033 12.198 ( 18.461 8.104 2.695) 20.341 13.961 ( -4.356 0.143 10.136) 11.033 13.994 ( -2.472 -1.174 -8.419) 8.853 14.119 ( -8.730 -1.153 -1.168) 8.883 14.472 ( 14.523 5.181 1.213) 15.467 17.836 ( -20.262 0.146 -8.279) 21.889 18.371 ( 18.391 0.576 8.971) 20.471 19.282 ( -5.272 0.749 -4.861) 7.210 19.513 ( 10.551 -4.014 2.507) 11.564 21.338 ( -31.221 -2.969 -4.330) 31.660 22.192 ( 32.105 -2.491 1.178) 32.223 24.006 ( -8.528 4.876 1.654) 9.962 24.220 ( 7.383 0.595 1.544) 7.566 ======================= Grid point 803 (410/432) ======================= q-point: (-0.18 -0.64 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 6.303 2.776 -2.439) 7.306 2.793 ( 5.380 0.994 2.039) 5.838 3.014 ( 2.460 3.874 -2.625) 5.286 3.086 ( 1.965 -2.245 7.138) 7.736 3.246 ( -10.611 -2.566 0.210) 10.919 3.504 ( 5.441 1.794 -9.189) 10.829 3.607 ( 2.632 -1.144 3.463) 4.498 4.187 ( 10.373 1.411 2.963) 10.880 5.069 ( -6.588 1.964 -4.944) 8.468 5.246 ( -5.069 -2.284 1.368) 5.726 5.725 ( -12.312 0.007 1.668) 12.425 5.848 ( -1.298 1.052 -8.019) 8.192 6.765 ( -13.841 -3.270 3.042) 14.544 7.272 ( 5.479 -6.049 1.074) 8.232 7.859 ( -3.120 -11.254 -8.414) 14.394 8.585 ( 14.137 -20.206 -1.008) 24.681 9.886 ( -2.503 -1.415 -0.148) 2.879 10.043 ( -3.630 1.895 -1.980) 4.548 10.386 ( -18.976 -4.489 16.962) 25.844 10.475 ( -12.861 19.899 -2.618) 23.838 10.709 ( -8.948 -6.285 5.189) 12.103 11.100 ( 25.492 -1.019 -25.447) 36.034 11.678 ( -1.646 24.707 5.354) 25.334 12.487 ( 20.712 1.167 5.666) 21.504 13.819 ( -4.410 4.613 -5.908) 8.696 13.992 ( 0.182 3.694 -0.741) 3.771 14.106 ( -6.867 -8.577 7.670) 13.400 14.594 ( 11.212 7.663 -0.297) 13.584 17.529 ( -19.002 -0.343 0.423) 19.010 18.711 ( 16.306 -0.955 10.035) 19.170 19.125 ( -3.308 2.967 -8.979) 10.018 19.710 ( 7.986 -2.137 3.863) 9.125 20.922 ( -27.334 -4.521 -5.320) 28.212 22.634 ( 29.611 -5.112 -0.113) 30.049 23.861 ( -9.573 7.738 2.749) 12.613 24.358 ( 8.720 -0.028 3.989) 9.589 ======================= Grid point 804 (411/432) ======================= q-point: (-0.09 -0.64 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 2.589 7.367 -8.500) 11.543 2.773 ( -5.101 6.657 0.364) 8.394 2.992 ( -7.695 -0.942 -0.049) 7.752 3.093 ( 5.006 -1.248 2.335) 5.663 3.358 ( 6.458 -3.890 7.856) 10.889 3.502 ( 12.700 2.845 -9.452) 16.085 3.725 ( 4.136 -5.451 5.107) 8.538 4.335 ( 7.450 2.086 4.943) 9.181 4.904 ( -6.835 3.041 -4.205) 8.581 5.178 ( -9.090 -1.382 -0.245) 9.198 5.552 ( -15.962 -0.872 0.636) 15.998 5.714 ( -0.972 0.341 -11.271) 11.318 6.660 ( -13.051 -3.358 5.336) 14.494 7.359 ( 3.048 1.606 0.292) 3.457 7.843 ( 1.005 -12.440 -9.867) 15.910 8.846 ( 5.036 -17.901 -4.039) 19.030 9.727 ( -4.903 9.540 -10.190) 14.795 9.938 ( -13.916 8.618 2.865) 16.617 10.246 ( -1.286 -5.608 -1.253) 5.888 10.339 ( -19.028 3.865 18.058) 26.517 10.774 ( 0.807 -6.296 4.935) 8.040 11.171 ( 25.713 -3.556 -25.387) 36.308 11.552 ( 0.903 17.668 5.559) 18.544 12.778 ( 14.901 -0.498 2.695) 15.151 13.682 ( -1.238 3.891 -5.778) 7.075 13.945 ( 3.567 5.696 -3.450) 7.555 14.190 ( -7.425 -7.938 10.899) 15.393 14.633 ( 6.800 9.860 -0.232) 11.980 17.366 ( -15.917 -0.056 11.261) 19.498 18.902 ( -1.258 -1.487 -13.007) 13.152 19.080 ( 12.805 2.066 11.028) 17.025 19.817 ( 1.177 1.151 3.112) 3.521 20.608 ( -17.041 -5.631 -5.299) 18.713 23.058 ( 26.259 -9.328 -0.559) 27.872 23.681 ( -11.726 9.983 3.204) 15.730 24.525 ( 8.986 1.149 5.058) 10.376 ======================= Grid point 810 (412/432) ======================= q-point: ( 0.45 0.45 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( -7.618 0.000 6.220) 9.835 2.731 ( -10.646 0.000 -4.271) 11.471 2.967 ( -0.287 0.000 -0.354) 0.456 3.110 ( -0.467 0.000 3.157) 3.191 3.321 ( -2.150 0.000 5.120) 5.553 3.487 ( 7.773 -0.000 0.353) 7.781 3.734 ( 12.541 -0.000 -5.292) 13.612 4.034 ( -16.635 0.000 -2.073) 16.764 5.141 ( 3.263 -0.000 3.117) 4.512 5.167 ( 4.675 -0.000 1.266) 4.843 5.858 ( 7.472 -0.000 1.626) 7.647 5.864 ( -0.898 0.000 7.289) 7.345 6.802 ( 4.673 -0.000 0.810) 4.743 6.919 ( -0.630 0.000 0.010) 0.630 7.780 ( -4.380 0.000 0.813) 4.455 7.796 ( -6.754 0.000 4.740) 8.251 9.740 ( 6.544 -0.000 9.196) 11.287 9.980 ( -12.841 0.000 13.808) 18.856 10.409 ( -26.724 0.000 28.043) 38.738 10.705 ( 22.856 -0.000 1.404) 22.899 10.916 ( 22.106 -0.000 -28.414) 36.000 11.218 ( -3.302 0.000 -10.104) 10.629 12.365 ( -8.121 0.000 -2.088) 8.385 12.537 ( -1.832 0.000 -8.733) 8.923 13.833 ( 9.173 -0.000 2.655) 9.550 13.836 ( -3.972 0.000 5.387) 6.693 14.183 ( 8.442 -0.000 -0.290) 8.447 14.604 ( -15.536 0.000 0.637) 15.549 17.801 ( 18.675 -0.000 -4.884) 19.303 18.547 ( -11.597 0.000 -2.582) 11.881 19.080 ( -8.092 0.000 8.296) 11.589 19.618 ( -2.515 0.000 -10.416) 10.716 21.195 ( 35.767 -0.000 3.027) 35.894 22.104 ( -26.730 0.000 2.379) 26.836 24.217 ( 0.223 -0.000 -4.699) 4.705 24.236 ( -5.873 0.000 -2.192) 6.269 ======================= Grid point 811 (413/432) ======================= q-point: (-0.45 -0.55 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 1.427 -0.095 6.167) 6.331 2.595 ( -1.617 -0.595 -5.175) 5.454 2.994 ( 1.706 0.463 3.108) 3.575 3.058 ( -4.164 -0.004 -3.083) 5.181 3.370 ( -4.864 1.170 11.002) 12.086 3.573 ( 8.518 -0.671 -5.908) 10.388 3.781 ( -17.515 0.673 1.293) 17.575 3.883 ( 16.026 -0.018 -5.830) 17.054 5.193 ( 0.192 -0.374 1.974) 2.018 5.216 ( 0.427 -1.952 -0.479) 2.055 5.896 ( -3.185 1.607 4.874) 6.040 5.944 ( 3.262 -0.260 -0.075) 3.273 6.869 ( 0.735 -1.961 2.482) 3.248 6.904 ( -2.965 -4.085 -1.278) 5.207 7.777 ( 2.253 -1.718 1.994) 3.465 7.804 ( 0.361 -4.510 -0.337) 4.537 9.923 ( -1.415 0.656 7.705) 7.862 9.938 ( -2.320 -1.142 6.324) 6.832 10.375 ( -25.909 -0.824 26.836) 37.311 10.897 ( 20.263 -0.394 -24.882) 32.092 11.003 ( 11.151 1.624 -0.918) 11.306 11.022 ( -4.556 0.474 -3.815) 5.961 12.280 ( -1.545 6.411 1.521) 6.768 12.367 ( -1.711 7.154 -7.275) 10.346 13.846 ( -3.961 -0.713 6.341) 7.510 13.942 ( 3.469 -5.132 -3.226) 6.984 14.348 ( 14.706 2.356 2.512) 15.104 14.381 ( -15.980 1.737 -0.798) 16.094 18.054 ( 19.776 0.197 4.050) 20.187 18.229 ( -19.131 0.243 -12.181) 22.681 19.193 ( 0.494 -1.293 14.844) 14.908 19.475 ( 0.455 -0.340 -12.574) 12.587 21.695 ( 34.733 -0.783 2.045) 34.802 21.736 ( -29.888 -0.758 -1.983) 29.963 24.150 ( -5.321 0.700 0.892) 5.440 24.186 ( 1.908 0.954 -2.491) 3.280 ======================= Grid point 812 (414/432) ======================= q-point: (-0.36 -0.55 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 5.234 0.826 -1.464) 5.498 2.643 ( 11.154 -1.219 1.901) 11.380 2.973 ( -4.296 -0.993 0.825) 4.486 3.073 ( 3.882 1.400 2.025) 4.597 3.377 ( -8.165 2.979 6.101) 10.619 3.535 ( -6.880 -3.657 -5.931) 9.792 3.630 ( -1.288 1.224 -0.133) 1.782 4.048 ( 16.173 1.618 -2.752) 16.485 5.186 ( -4.336 -1.211 -0.871) 4.585 5.208 ( -2.861 -2.807 -0.051) 4.009 5.857 ( -6.919 1.502 2.089) 7.382 5.949 ( 0.656 1.045 -2.881) 3.134 6.823 ( -10.019 -3.102 0.720) 10.513 6.968 ( 1.621 -7.922 1.788) 8.281 7.800 ( 1.285 -2.266 -3.285) 4.193 7.975 ( 13.838 -10.122 -0.181) 17.146 9.856 ( -8.478 -1.324 2.946) 9.073 10.096 ( 9.744 1.130 0.916) 9.852 10.346 ( -25.577 -1.811 26.125) 36.605 10.756 ( -20.098 -1.942 -1.161) 20.225 10.878 ( 12.421 0.972 -17.291) 21.312 11.155 ( 13.457 4.968 -10.132) 17.563 12.192 ( -0.927 15.893 5.142) 16.730 12.336 ( 10.740 6.824 0.180) 12.726 13.878 ( -6.134 -5.287 5.590) 9.840 13.960 ( 1.373 -3.773 -4.834) 6.284 14.152 ( -12.417 2.994 -0.462) 12.781 14.559 ( 15.992 4.268 1.731) 16.642 17.838 ( -20.834 0.085 -8.447) 22.482 18.380 ( 18.102 0.429 8.780) 20.123 19.310 ( -0.203 2.558 -4.727) 5.378 19.441 ( 8.314 -4.463 2.974) 9.893 21.297 ( -31.715 -1.774 -5.040) 32.162 22.155 ( 32.250 -1.682 -0.666) 32.301 24.083 ( -5.633 3.920 3.193) 7.570 24.220 ( 4.542 -0.577 1.219) 4.738 ======================= Grid point 813 (415/432) ======================= q-point: (-0.27 -0.55 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( 10.360 1.395 -3.182) 10.927 2.813 ( 5.994 1.689 3.890) 7.343 3.018 ( 5.152 -4.899 4.014) 8.164 3.094 ( 2.271 4.252 -1.470) 5.040 3.221 ( -15.561 -0.151 -0.117) 15.562 3.474 ( -2.924 -3.435 0.037) 4.511 3.645 ( 9.035 3.103 -3.411) 10.144 4.208 ( 11.536 1.483 0.961) 11.671 5.091 ( -6.708 0.706 -2.756) 7.286 5.181 ( -6.407 -5.037 -0.125) 8.151 5.736 ( -10.666 1.078 -0.909) 10.759 5.880 ( -1.782 2.260 -5.570) 6.269 6.713 ( -12.705 -2.703 2.726) 13.272 7.103 ( 3.313 -11.983 1.588) 12.533 7.780 ( 2.835 0.776 -6.251) 6.908 8.277 ( 16.038 -16.200 -2.857) 22.974 9.812 ( -3.473 -5.367 -1.350) 6.534 10.117 ( 0.437 5.845 -7.038) 9.159 10.323 ( -23.402 -2.787 23.010) 32.938 10.558 ( -14.180 -6.548 1.448) 15.686 10.791 ( -3.964 10.712 1.746) 11.555 11.117 ( 18.454 3.787 -22.318) 29.206 12.085 ( -2.809 22.366 6.798) 23.544 12.516 ( 17.697 1.837 3.091) 18.059 13.833 ( -6.253 -3.194 -5.050) 8.649 13.981 ( -2.545 -5.402 3.356) 6.850 14.035 ( -3.400 1.961 1.610) 4.242 14.718 ( 13.545 6.521 -0.254) 15.036 17.523 ( -19.516 -0.318 0.681) 19.530 18.694 ( 14.505 -0.974 6.985) 16.129 19.200 ( 3.830 5.735 -9.596) 11.817 19.657 ( 8.158 -4.095 6.163) 11.013 20.846 ( -30.139 -4.178 -5.665) 30.950 22.555 ( 28.974 -4.004 -3.896) 29.508 24.002 ( -5.935 8.548 4.770) 11.447 24.338 ( 6.354 -2.302 4.575) 8.161 ======================= Grid point 814 (416/432) ======================= q-point: (-0.18 -0.55 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( 5.755 5.330 -8.170) 11.326 2.857 ( -6.898 2.679 9.673) 12.179 2.976 ( -10.146 -1.473 -3.936) 10.982 3.086 ( 1.311 1.538 -1.744) 2.669 3.269 ( 11.847 -5.014 6.690) 14.500 3.516 ( 11.626 -2.780 -6.581) 13.646 3.715 ( 6.896 4.016 1.253) 8.078 4.350 ( 6.903 0.461 4.300) 8.146 4.952 ( -6.990 2.578 -2.849) 7.976 5.118 ( -9.010 -5.580 -1.074) 10.653 5.547 ( -13.998 0.188 -2.204) 14.172 5.745 ( -2.810 2.957 -8.573) 9.494 6.611 ( -12.427 -2.426 5.185) 13.682 7.280 ( 4.894 -11.585 1.452) 12.660 7.731 ( 4.122 1.048 -8.157) 9.199 8.550 ( 10.337 -17.172 -6.223) 20.987 9.820 ( 0.215 -6.327 -5.010) 8.073 9.922 ( -5.634 3.227 -7.813) 10.159 10.238 ( -21.271 0.656 8.769) 23.017 10.436 ( -16.409 3.296 11.994) 20.591 10.764 ( -1.375 7.477 14.377) 16.263 11.116 ( 23.597 -2.430 -26.347) 35.453 11.899 ( -5.364 22.274 4.271) 23.305 12.771 ( 15.264 -0.622 2.012) 15.408 13.719 ( -2.677 -0.079 -6.359) 6.900 13.988 ( 0.410 -1.230 -3.321) 3.565 14.071 ( -4.466 -4.588 9.613) 11.550 14.796 ( 10.230 8.916 -2.092) 13.731 17.365 ( -15.679 -0.051 12.344) 19.955 18.853 ( 6.787 -3.457 -12.405) 14.557 19.175 ( 9.207 8.327 5.476) 13.568 19.821 ( 3.303 -0.849 4.067) 5.308 20.493 ( -21.194 -7.740 -3.781) 22.878 22.903 ( 25.292 -8.278 -6.375) 27.365 23.882 ( -7.577 13.145 5.619) 16.180 24.515 ( 7.447 -2.404 6.373) 10.092 ======================= Grid point 815 (417/432) ======================= q-point: (-0.09 -0.55 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( -7.884 6.628 -10.983) 15.057 2.810 ( -8.768 6.485 7.878) 13.454 2.860 ( -3.297 -1.807 -3.346) 5.033 3.174 ( 7.154 -6.089 1.825) 9.570 3.509 ( 5.786 -1.931 6.439) 8.869 3.619 ( 15.130 5.752 -8.696) 18.374 3.821 ( 10.587 -3.034 2.660) 11.330 4.473 ( 1.200 -0.223 7.058) 7.163 4.817 ( -5.683 3.405 -1.189) 6.731 5.012 ( -8.834 -3.219 -2.888) 9.836 5.334 ( -15.633 -0.786 -0.321) 15.657 5.581 ( -1.005 1.813 -11.590) 11.774 6.554 ( -9.780 -2.470 7.185) 12.385 7.410 ( 2.486 -1.140 1.662) 3.200 7.711 ( 6.102 -4.899 -10.198) 12.854 8.699 ( 3.148 -15.645 -4.723) 16.643 9.630 ( -7.775 12.934 -10.003) 18.105 9.850 ( -8.383 1.136 2.609) 8.853 10.076 ( -5.080 -9.127 -3.605) 11.050 10.398 ( -16.851 2.396 23.137) 28.723 10.874 ( 3.960 3.230 8.045) 9.531 11.173 ( 23.062 -5.276 -24.154) 33.810 11.700 ( -5.351 14.508 1.653) 15.552 12.938 ( 8.035 0.130 -0.366) 8.044 13.620 ( -1.197 1.006 -6.247) 6.440 13.967 ( 0.699 0.146 -2.400) 2.504 14.179 ( -2.655 -6.328 9.434) 11.666 14.800 ( 7.361 10.455 -2.655) 13.059 17.381 ( -10.999 1.480 21.865) 24.520 18.705 ( 2.161 0.046 -21.918) 22.024 19.368 ( 9.938 2.108 9.523) 13.925 19.830 ( -5.113 1.144 1.707) 5.510 20.358 ( -6.140 -7.283 -1.433) 9.633 23.217 ( 20.369 -13.136 -7.692) 25.428 23.709 ( -9.715 16.352 6.503) 20.102 24.697 ( 6.663 -0.855 5.982) 8.995 ======================= Grid point 822 (418/432) ======================= q-point: (-0.45 -0.45 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 7.188 -0.000 -5.433) 9.010 2.630 ( 10.679 -0.000 5.582) 12.050 2.964 ( -5.522 0.000 -0.362) 5.534 3.085 ( 4.225 -0.000 3.984) 5.808 3.416 ( -4.628 0.000 6.628) 8.084 3.491 ( -12.612 0.000 -7.527) 14.687 3.640 ( -0.478 0.000 1.720) 1.785 4.064 ( 17.331 -0.000 -4.015) 17.790 5.177 ( -3.933 0.000 0.182) 3.937 5.177 ( -3.541 0.000 -1.101) 3.708 5.871 ( -6.585 0.000 1.278) 6.708 5.959 ( 0.515 -0.000 -2.023) 2.087 6.795 ( -8.827 0.000 0.240) 8.831 6.896 ( -0.026 0.000 2.336) 2.336 7.794 ( 4.619 -0.000 -1.009) 4.728 7.881 ( 11.809 -0.000 -2.579) 12.088 9.844 ( -8.836 0.000 1.647) 8.988 10.106 ( 11.120 -0.000 1.793) 11.263 10.331 ( -26.199 0.000 26.839) 37.506 10.738 ( -22.602 0.000 -1.745) 22.669 10.883 ( 15.692 -0.000 -19.163) 24.768 11.198 ( 13.131 -0.000 -6.980) 14.871 12.351 ( 5.285 -0.000 -1.516) 5.498 12.382 ( 2.515 -0.000 6.320) 6.802 13.831 ( -5.887 0.000 3.291) 6.744 13.919 ( 1.519 -0.000 -3.081) 3.435 14.180 ( -13.097 0.000 -0.039) 13.097 14.597 ( 16.250 -0.000 1.698) 16.338 17.839 ( -21.084 0.000 -8.514) 22.738 18.384 ( 17.957 -0.000 8.711) 19.959 19.357 ( 5.753 -0.000 -14.803) 15.881 19.377 ( 3.514 -0.000 13.340) 13.795 21.282 ( -31.857 0.000 -5.542) 32.336 22.141 ( 32.206 -0.000 -1.146) 32.226 24.121 ( -3.785 0.000 4.432) 5.828 24.210 ( 2.786 -0.000 0.402) 2.815 ======================= Grid point 823 (419/432) ======================= q-point: (-0.36 -0.45 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 13.091 0.436 -5.225) 14.101 2.853 ( 9.658 2.830 4.980) 11.229 2.935 ( -0.064 -4.375 4.485) 6.266 3.128 ( -4.001 0.238 -3.060) 5.043 3.253 ( -10.121 2.767 0.863) 10.528 3.421 ( -2.099 -2.383 0.812) 3.278 3.676 ( 7.173 0.704 -2.145) 7.520 4.236 ( 13.366 1.320 -0.624) 13.445 5.097 ( -6.547 -0.000 -1.040) 6.629 5.106 ( -7.287 -2.754 -1.428) 7.920 5.753 ( -10.184 0.711 -1.954) 10.394 5.909 ( -1.781 0.931 -4.724) 5.134 6.680 ( -11.750 -1.111 2.894) 12.152 6.946 ( 1.574 -5.344 1.374) 5.738 7.840 ( 7.402 4.955 -2.749) 9.322 8.054 ( 15.226 -9.625 -5.889) 18.951 9.744 ( -4.751 -2.211 -4.963) 7.217 10.212 ( 7.175 4.593 -6.374) 10.640 10.291 ( -24.989 -1.228 25.008) 35.375 10.454 ( -21.313 -4.584 4.644) 22.289 10.882 ( 9.595 1.590 -8.850) 13.150 11.202 ( 7.303 3.958 -11.097) 13.862 12.388 ( -0.657 12.932 6.338) 14.417 12.520 ( 11.422 -2.503 2.700) 12.001 13.767 ( -6.402 -2.814 -1.890) 7.244 13.913 ( 0.809 -2.499 -2.175) 3.410 14.064 ( -6.252 1.086 2.859) 6.960 14.796 ( 14.260 2.451 -0.465) 14.477 17.519 ( -19.845 -0.132 0.872) 19.865 18.682 ( 13.451 -0.396 5.003) 14.357 19.294 ( 11.035 4.213 -11.876) 16.750 19.586 ( 5.705 -3.388 9.814) 11.846 20.794 ( -31.953 -1.732 -6.536) 32.660 22.508 ( 28.190 -1.467 -5.232) 28.709 24.129 ( -1.939 5.725 6.492) 8.870 24.286 ( 3.444 -3.358 3.951) 6.225 ======================= Grid point 824 (420/432) ======================= q-point: (-0.27 -0.45 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 8.720 2.401 -7.418) 11.698 2.874 ( -7.874 0.321 9.965) 12.704 2.930 ( -16.918 -3.146 -1.728) 17.294 3.130 ( 5.505 0.795 -2.156) 5.965 3.223 ( 12.333 1.169 1.341) 12.461 3.461 ( 8.737 -2.951 -3.122) 9.736 3.778 ( 10.751 2.228 0.224) 10.982 4.374 ( 7.536 2.478 3.414) 8.636 4.987 ( -6.683 1.454 -1.678) 7.043 5.011 ( -9.633 -6.173 -1.933) 11.604 5.556 ( -13.436 0.683 -3.769) 13.971 5.792 ( -3.451 2.177 -7.305) 8.368 6.580 ( -11.947 -1.247 5.679) 13.287 7.067 ( 4.782 -10.924 0.582) 11.939 7.831 ( 7.743 9.243 -5.847) 13.401 8.275 ( 12.398 -15.474 -7.527) 21.209 9.659 ( -1.841 -7.971 -8.522) 11.813 10.047 ( -7.312 8.037 -4.694) 11.836 10.237 ( -18.003 -0.458 10.890) 21.045 10.394 ( -14.862 -5.576 13.245) 20.674 10.928 ( 5.348 6.105 5.736) 9.938 11.125 ( 11.062 4.722 -15.670) 19.754 12.247 ( -9.024 17.604 4.061) 20.195 12.745 ( 13.807 -2.732 1.492) 14.154 13.683 ( -3.530 -3.202 -5.773) 7.485 13.929 ( 0.071 -3.687 -1.169) 3.869 14.044 ( -2.794 -0.212 4.376) 5.196 14.915 ( 11.732 4.988 -3.194) 13.142 17.365 ( -15.459 -0.027 13.294) 20.389 18.804 ( 9.626 -2.088 -13.273) 16.529 19.331 ( 12.113 9.311 1.714) 15.374 19.785 ( 5.109 -3.281 6.206) 8.682 20.368 ( -26.504 -6.239 -3.883) 27.504 22.795 ( 23.945 -4.414 -8.403) 25.757 24.100 ( -2.572 12.276 6.506) 14.130 24.444 ( 4.912 -5.988 6.576) 10.160 ======================= Grid point 825 (421/432) ======================= q-point: (-0.18 -0.45 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( -11.902 4.610 -8.331) 15.242 2.762 ( -17.061 -5.868 5.023) 18.728 2.923 ( 0.397 2.907 3.633) 4.670 3.106 ( 7.220 -1.469 -6.974) 10.146 3.460 ( 11.692 -2.418 3.692) 12.498 3.647 ( 19.276 -1.637 -2.280) 19.479 3.882 ( 10.906 7.245 -0.780) 13.117 4.471 ( 0.393 1.030 7.137) 7.221 4.869 ( -5.930 2.390 -1.309) 6.526 4.922 ( -7.625 -6.851 -3.002) 10.681 5.326 ( -15.143 -0.292 -2.150) 15.297 5.627 ( -3.292 2.969 -9.617) 10.590 6.524 ( -9.536 -1.178 7.865) 12.417 7.254 ( 5.993 -13.633 0.575) 14.903 7.761 ( 6.534 8.700 -9.741) 14.604 8.450 ( 7.046 -14.210 -5.295) 16.721 9.672 ( 1.876 -12.859 -5.713) 14.196 9.847 ( -2.583 8.770 -7.016) 11.524 10.045 ( -18.233 2.280 1.469) 18.433 10.411 ( -20.260 -1.560 24.944) 32.173 11.023 ( -0.931 12.624 16.049) 20.440 11.094 ( 22.271 -3.871 -25.355) 33.968 11.984 ( -11.155 17.594 0.454) 20.837 12.923 ( 8.352 -1.980 -0.300) 8.589 13.597 ( -2.686 -3.536 -6.972) 8.266 13.940 ( -1.000 -2.628 -0.678) 2.893 14.095 ( -0.609 -3.466 5.882) 6.855 14.952 ( 9.703 7.254 -5.885) 13.469 17.406 ( -9.553 1.353 23.172) 25.101 18.692 ( 6.953 -1.381 -26.617) 27.544 19.461 ( 8.366 8.571 9.035) 15.003 19.843 ( -5.342 0.503 1.328) 5.527 20.201 ( -7.335 -11.098 1.560) 13.394 23.036 ( 20.385 -8.245 -9.466) 23.940 23.993 ( -5.544 17.059 5.649) 18.806 24.639 ( 4.978 -6.044 6.374) 10.096 ======================= Grid point 826 (422/432) ======================= q-point: (-0.09 -0.45 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -11.929 3.354 -6.228) 13.868 2.665 ( -17.866 -7.257 8.716) 21.162 2.907 ( 6.249 4.430 -5.422) 9.385 3.215 ( 6.186 -8.089 0.694) 10.207 3.593 ( 0.693 0.923 1.624) 1.992 3.787 ( 12.809 10.680 -7.488) 18.281 4.025 ( 15.817 0.324 3.092) 16.120 4.502 ( -7.490 0.258 6.042) 9.627 4.769 ( -6.828 1.152 1.710) 7.132 4.875 ( 1.220 -4.598 -5.286) 7.111 5.154 ( -12.544 -1.033 4.942) 13.522 5.462 ( 0.380 2.187 -11.213) 11.430 6.527 ( -5.476 -0.922 8.444) 10.107 7.430 ( 3.113 -8.604 2.033) 9.373 7.651 ( 4.269 2.782 -12.684) 13.669 8.628 ( 7.237 -11.169 2.977) 13.637 9.508 ( -11.217 14.512 -9.235) 20.535 9.813 ( -4.232 -0.766 4.252) 6.048 9.913 ( 0.873 -12.259 -3.876) 12.887 10.438 ( -19.612 -0.251 25.028) 31.798 11.035 ( 6.782 4.833 -4.738) 9.581 11.188 ( 14.913 0.689 -9.029) 17.447 11.704 ( -10.008 11.468 -1.471) 15.292 12.990 ( 1.878 -0.821 -1.102) 2.327 13.526 ( -2.032 -3.288 -4.759) 6.131 13.933 ( -2.829 -1.598 0.879) 3.366 14.206 ( 0.570 -5.674 5.959) 8.248 14.923 ( 8.026 8.288 -8.053) 14.070 17.581 ( -4.503 3.682 26.421) 27.054 18.459 ( 4.391 -1.550 -27.976) 28.361 19.587 ( 5.186 4.596 6.318) 9.378 19.771 ( -3.437 -0.204 -0.372) 3.463 20.271 ( -0.364 -7.015 2.084) 7.327 23.257 ( 15.802 -9.919 -8.083) 20.333 23.803 ( -8.584 17.816 4.275) 20.233 24.795 ( 2.363 -4.586 3.908) 6.472 ======================= Grid point 834 (423/432) ======================= q-point: (-0.36 -0.36 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 10.523 -0.000 -7.502) 12.923 2.879 ( -8.788 0.000 8.409) 12.163 2.899 ( -19.339 0.000 -0.333) 19.342 3.121 ( 11.095 -0.000 1.496) 11.195 3.258 ( 7.473 -0.000 -3.464) 8.237 3.432 ( 8.687 -0.000 -2.243) 8.971 3.792 ( 11.527 -0.000 0.656) 11.546 4.404 ( 8.858 -0.000 3.252) 9.436 4.948 ( -11.422 0.000 -1.533) 11.525 5.001 ( -5.627 0.000 -2.161) 6.027 5.563 ( -13.582 0.000 -4.080) 14.182 5.811 ( -3.439 0.000 -7.132) 7.918 6.570 ( -11.777 0.000 6.087) 13.257 6.969 ( 4.439 -0.000 0.241) 4.445 7.986 ( 9.975 -0.000 1.357) 10.066 8.069 ( 12.169 -0.000 -14.457) 18.896 9.590 ( -3.226 0.000 -9.676) 10.199 10.139 ( -19.766 0.000 6.915) 20.941 10.227 ( 7.671 -0.000 -16.484) 18.181 10.326 ( -27.212 0.000 31.896) 41.927 10.961 ( 15.222 -0.000 -8.370) 17.371 11.192 ( 0.308 -0.000 -1.266) 1.303 12.420 ( -11.902 0.000 3.899) 12.524 12.703 ( 14.026 -0.000 1.671) 14.125 13.651 ( -2.879 0.000 -6.306) 6.932 13.894 ( 0.895 -0.000 -1.213) 1.508 14.044 ( -3.336 0.000 3.453) 4.802 14.958 ( 12.141 -0.000 -3.582) 12.658 17.364 ( -15.366 0.000 13.675) 20.570 18.786 ( 10.328 -0.000 -13.812) 17.246 19.429 ( 16.069 -0.000 -0.982) 16.099 19.742 ( 4.229 -0.000 8.789) 9.753 20.312 ( -29.359 0.000 -4.362) 29.681 22.758 ( 23.389 -0.000 -8.811) 24.993 24.251 ( 1.862 -0.000 7.646) 7.869 24.347 ( 1.424 -0.000 5.645) 5.822 ======================= Grid point 835 (424/432) ======================= q-point: (-0.27 -0.36 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( -15.471 2.451 -3.971) 16.159 2.675 ( -18.243 -3.915 2.543) 18.831 2.938 ( 3.777 -0.058 3.791) 5.352 3.105 ( 2.951 0.275 -11.017) 11.408 3.441 ( 13.834 -0.135 2.704) 14.096 3.622 ( 20.828 -0.913 -0.411) 20.852 3.969 ( 14.599 2.442 -0.061) 14.801 4.521 ( 1.557 3.930 6.698) 7.921 4.799 ( -11.841 -5.891 -0.502) 13.235 4.902 ( -3.143 0.930 -4.301) 5.407 5.324 ( -15.947 0.003 -2.608) 16.159 5.664 ( -3.957 1.173 -8.988) 9.891 6.513 ( -9.471 -0.203 8.710) 12.869 7.070 ( 6.543 -6.431 -0.323) 9.180 7.932 ( 6.405 10.041 -14.800) 18.998 8.227 ( 10.719 -11.305 -0.043) 15.579 9.498 ( 0.884 -5.854 -6.417) 8.731 9.963 ( -11.253 3.780 1.447) 11.959 10.082 ( -3.536 1.769 -12.605) 13.210 10.368 ( -25.511 -2.405 33.362) 42.066 11.045 ( 22.634 -1.524 -24.253) 33.209 11.212 ( -5.469 7.094 17.463) 19.626 12.221 ( -14.757 8.592 0.433) 17.082 12.882 ( 9.237 -2.047 0.128) 9.462 13.532 ( -4.030 -2.841 -8.505) 9.830 13.902 ( 0.161 -1.403 -0.203) 1.427 14.059 ( -0.654 -0.953 3.655) 3.833 15.035 ( 10.677 2.519 -7.321) 13.189 17.423 ( -8.592 0.563 24.158) 25.647 18.671 ( 9.252 -0.791 -29.014) 30.464 19.619 ( 11.020 7.951 6.573) 15.095 19.857 ( -3.204 1.791 3.325) 4.952 20.009 ( -13.229 -10.317 2.433) 16.952 22.944 ( 20.086 -2.742 -10.049) 22.626 24.263 ( -0.803 14.481 5.261) 15.428 24.497 ( 1.966 -10.480 6.294) 12.382 ======================= Grid point 836 (425/432) ======================= q-point: (-0.18 -0.36 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -17.106 2.973 -3.920) 17.800 2.529 ( -19.285 -7.926 7.002) 21.995 2.963 ( 3.492 2.773 -5.756) 7.281 3.102 ( 6.936 -5.598 -3.480) 9.569 3.599 ( 5.074 0.462 1.758) 5.389 3.916 ( 22.251 3.511 -2.461) 22.660 4.095 ( 14.031 6.860 -1.869) 15.729 4.522 ( -7.308 2.852 6.985) 10.504 4.729 ( -9.479 -6.364 1.416) 11.504 4.818 ( 0.776 -1.138 -6.981) 7.116 5.138 ( -12.724 -0.812 5.693) 13.964 5.501 ( -1.613 2.045 -9.795) 10.135 6.523 ( -5.131 0.245 9.910) 11.162 7.228 ( 5.851 -11.556 -0.284) 12.956 7.739 ( 2.175 5.273 -16.037) 17.021 8.486 ( 12.372 -5.723 6.456) 15.083 9.558 ( 3.392 -9.433 -3.907) 10.759 9.808 ( -0.054 6.775 -9.569) 11.725 9.852 ( -14.525 1.021 1.203) 14.611 10.423 ( -24.842 -1.614 31.561) 40.197 11.042 ( 15.703 -1.797 -21.785) 26.914 11.306 ( 2.648 9.391 12.661) 15.985 11.922 ( -15.239 12.176 -2.453) 19.659 12.967 ( 2.379 -1.307 -1.010) 2.897 13.431 ( -4.416 -6.917 -5.386) 9.816 13.906 ( -2.067 -1.278 0.915) 2.597 14.127 ( 1.270 -3.371 4.138) 5.487 15.034 ( 9.614 4.613 -11.210) 15.471 17.638 ( -2.341 2.797 27.262) 27.505 18.424 ( 6.211 -2.162 -32.793) 33.446 19.715 ( 3.975 10.044 6.694) 12.708 19.767 ( -4.041 -0.064 -0.199) 4.047 20.118 ( 0.398 -10.995 4.490) 11.883 23.121 ( 18.366 -5.648 -9.171) 21.291 24.121 ( -6.247 19.064 2.757) 20.251 24.665 ( 0.292 -10.732 3.946) 11.439 ======================= Grid point 837 (426/432) ======================= q-point: (-0.09 -0.36 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -10.024 -0.481 1.835) 10.202 2.462 ( -16.838 -10.190 9.994) 22.073 2.947 ( 7.963 0.491 -6.888) 10.540 3.224 ( 4.622 -7.892 0.212) 9.148 3.577 ( -5.104 3.349 -2.688) 6.670 3.943 ( 7.642 13.748 -7.633) 17.483 4.197 ( -3.285 6.921 0.587) 7.684 4.517 ( 8.575 -1.730 0.498) 8.762 4.674 ( -7.895 -4.622 2.678) 9.532 4.816 ( 2.406 -4.805 -2.066) 5.757 5.144 ( -4.474 0.025 13.046) 13.792 5.400 ( 5.768 1.891 -8.580) 10.510 6.586 ( -0.352 1.542 8.211) 8.362 7.385 ( 3.253 -12.157 -1.883) 12.725 7.583 ( 0.967 2.245 -7.632) 8.014 8.788 ( 12.023 -2.203 11.351) 16.681 9.396 ( -8.609 13.801 -7.447) 17.890 9.752 ( -4.927 -4.467 -0.262) 6.656 9.860 ( 8.157 -11.586 0.889) 14.197 10.445 ( -23.903 -0.278 27.689) 36.580 11.016 ( 11.619 -2.181 -17.711) 21.295 11.340 ( -1.083 13.366 2.200) 13.589 11.621 ( -9.733 5.822 -1.159) 11.401 12.963 ( -2.416 -1.270 -0.588) 2.792 13.417 ( -2.629 -7.468 -0.290) 7.923 13.891 ( -4.715 -1.502 2.369) 5.486 14.228 ( 1.135 -4.925 3.886) 6.375 14.962 ( 8.174 5.654 -14.335) 17.444 17.863 ( 2.114 5.730 13.478) 14.797 18.209 ( 6.236 -4.362 -18.416) 19.926 19.689 ( -2.513 6.063 -0.700) 6.600 19.783 ( 5.930 0.568 -0.320) 5.966 20.246 ( 0.149 -6.915 4.240) 8.112 23.312 ( 15.584 -6.134 -6.349) 17.911 23.853 ( -11.759 18.845 0.131) 22.213 24.756 ( -3.581 -9.052 0.765) 9.765 ======================= Grid point 846 (427/432) ======================= q-point: (-0.27 -0.27 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( -19.585 0.000 -2.908) 19.800 2.444 ( -19.697 0.000 6.789) 20.835 3.007 ( 5.137 -0.000 -13.476) 14.422 3.032 ( 5.035 -0.000 2.012) 5.422 3.605 ( 6.107 -0.000 1.773) 6.359 3.939 ( 25.907 -0.000 0.162) 25.908 4.166 ( 15.584 -0.000 -4.209) 16.143 4.595 ( -6.139 0.000 5.401) 8.177 4.620 ( -10.728 0.000 3.147) 11.180 4.810 ( -2.105 0.000 -7.867) 8.143 5.131 ( -12.979 0.000 6.222) 14.394 5.520 ( -2.140 0.000 -9.365) 9.607 6.527 ( -4.968 0.000 10.760) 11.852 7.121 ( 6.129 -0.000 -0.811) 6.183 7.788 ( 0.791 -0.000 -19.691) 19.706 8.438 ( 15.441 -0.000 9.741) 18.257 9.459 ( 4.940 -0.000 -3.196) 5.884 9.844 ( -13.684 0.000 4.834) 14.512 9.901 ( 0.232 -0.000 -17.718) 17.720 10.404 ( -28.387 0.000 36.846) 46.513 11.024 ( 17.246 -0.000 -23.351) 29.029 11.398 ( -0.786 0.000 15.354) 15.374 12.036 ( -16.756 0.000 -2.370) 16.923 12.958 ( 3.720 -0.000 -0.730) 3.791 13.357 ( -6.225 0.000 -6.107) 8.720 13.895 ( -1.372 0.000 0.759) 1.568 14.098 ( 1.403 -0.000 3.197) 3.491 15.073 ( 10.107 -0.000 -12.122) 15.782 17.663 ( -1.448 0.000 28.057) 28.094 18.403 ( 6.671 -0.000 -34.927) 35.559 19.760 ( -2.683 0.000 -1.270) 2.968 19.900 ( 3.716 -0.000 10.746) 11.370 19.931 ( -0.919 0.000 2.411) 2.581 23.074 ( 18.751 -0.000 -9.475) 21.009 24.379 ( -1.970 0.000 -0.946) 2.185 24.479 ( -3.308 0.000 7.036) 7.775 ======================= Grid point 847 (428/432) ======================= q-point: (-0.18 -0.27 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( -15.070 0.583 2.432) 15.277 2.318 ( -16.952 -5.531 9.610) 20.257 2.954 ( 8.451 0.416 -10.432) 13.432 3.126 ( 4.159 -3.368 0.832) 5.416 3.614 ( -4.137 1.122 -1.937) 4.704 4.158 ( 13.447 10.594 -8.991) 19.336 4.285 ( 9.412 0.992 -2.954) 9.914 4.489 ( -9.908 -0.387 0.971) 9.963 4.593 ( -7.057 -4.044 5.369) 9.746 4.736 ( 5.524 -3.549 -3.433) 7.409 5.149 ( -4.891 0.266 14.670) 15.466 5.427 ( 4.424 0.972 -7.474) 8.740 6.616 ( 0.750 1.495 10.129) 10.266 7.207 ( 3.848 -6.825 -0.894) 7.886 7.605 ( 0.776 0.535 -11.929) 11.966 8.779 ( 16.389 0.473 12.470) 20.600 9.520 ( 4.274 -0.791 -3.725) 5.725 9.695 ( -3.248 1.994 -8.742) 9.536 9.752 ( -6.095 -3.017 2.018) 7.094 10.440 ( -28.048 -0.328 34.884) 44.763 10.982 ( 12.857 -1.223 -19.857) 23.687 11.514 ( 1.410 5.628 7.244) 9.281 11.736 ( -19.259 5.393 -3.344) 20.278 12.957 ( -1.804 0.609 -0.619) 2.002 13.282 ( -4.081 -6.387 0.685) 7.611 13.873 ( -4.289 -0.525 1.389) 4.539 14.166 ( 2.176 -1.998 2.923) 4.156 15.029 ( 9.316 2.104 -16.616) 19.166 17.963 ( 4.174 5.371 17.486) 18.762 18.121 ( 6.403 -5.105 -25.102) 26.404 19.750 ( 4.269 0.560 -3.065) 5.285 19.855 ( -3.033 7.103 -0.276) 7.728 20.113 ( 1.958 -7.569 8.578) 11.607 23.231 ( 18.354 -2.660 -7.783) 20.113 24.175 ( -10.311 16.878 -3.392) 20.067 24.562 ( -5.592 -12.561 3.296) 14.139 ======================= Grid point 848 (429/432) ======================= q-point: (-0.09 -0.27 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -4.369 -3.168 9.787) 11.176 2.313 ( -11.454 -8.770 12.290) 18.951 2.987 ( 10.177 -0.988 -6.409) 12.067 3.206 ( 1.278 -5.549 -0.490) 5.715 3.457 ( -10.078 2.610 -4.636) 11.396 4.024 ( 1.862 13.527 -11.044) 17.562 4.123 ( -14.435 9.372 0.284) 17.213 4.482 ( 0.890 -9.864 -9.039) 13.409 4.617 ( -5.023 -4.066 6.794) 9.376 4.940 ( 17.883 -1.112 2.859) 18.144 5.275 ( -2.613 0.519 16.264) 16.481 5.469 ( 13.226 1.658 -4.258) 13.993 6.723 ( 5.539 4.430 5.028) 8.694 7.292 ( 1.796 -8.797 -3.746) 9.728 7.576 ( 1.524 -1.623 4.225) 4.776 9.110 ( 12.423 3.477 13.586) 18.735 9.358 ( -2.773 14.018 -6.216) 15.583 9.657 ( -1.052 -5.995 -1.415) 6.249 9.885 ( 7.167 -14.804 4.141) 16.961 10.452 ( -25.003 2.499 30.432) 39.465 10.934 ( 8.448 -2.349 -16.732) 18.890 11.314 ( -19.756 12.187 -1.220) 23.245 11.578 ( -0.201 1.059 -1.677) 1.993 12.906 ( -5.252 0.087 0.597) 5.286 13.349 ( -1.497 -8.030 5.569) 9.886 13.824 ( -6.973 -1.966 1.465) 7.391 14.246 ( 1.377 -3.261 2.615) 4.401 14.916 ( 8.273 3.462 -19.115) 21.115 17.833 ( 8.173 0.903 -25.528) 26.820 18.342 ( 8.950 -0.174 17.739) 19.869 19.640 ( -7.934 7.101 -6.461) 12.455 19.839 ( 6.824 -2.452 -5.004) 8.810 20.294 ( 4.609 -3.725 8.738) 10.558 23.419 ( 16.636 -3.840 -5.256) 17.864 23.786 ( -18.385 17.427 -5.156) 25.852 24.588 ( -8.721 -10.769 0.444) 13.865 ======================= Grid point 858 (430/432) ======================= q-point: (-0.18 -0.18 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( -6.190 0.000 9.718) 11.522 2.233 ( -11.142 0.000 12.641) 16.850 2.979 ( 11.157 -0.000 -8.214) 13.855 3.157 ( 1.027 -0.000 0.549) 1.165 3.479 ( -10.336 0.000 -4.639) 11.329 4.172 ( -0.327 0.000 -13.072) 13.076 4.256 ( -17.537 0.000 -0.982) 17.564 4.325 ( 5.702 -0.000 -6.430) 8.595 4.568 ( -4.636 0.000 6.114) 7.673 4.929 ( 19.782 -0.000 2.334) 19.919 5.282 ( -3.429 0.000 17.166) 17.505 5.484 ( 12.901 -0.000 -3.722) 13.427 6.772 ( 7.301 -0.000 5.370) 9.063 7.199 ( 0.687 -0.000 -0.534) 0.870 7.559 ( 2.784 -0.000 1.324) 3.083 9.135 ( 14.837 -0.000 10.727) 18.308 9.570 ( 5.522 -0.000 -4.073) 6.862 9.588 ( 5.004 -0.000 -11.420) 12.468 9.688 ( -9.789 0.000 13.136) 16.382 10.475 ( -26.017 0.000 34.819) 43.466 10.911 ( 9.665 -0.000 -18.140) 20.554 11.431 ( -24.688 0.000 -1.667) 24.744 11.590 ( 0.394 -0.000 -1.370) 1.425 12.914 ( -5.129 0.000 0.677) 5.174 13.263 ( -1.258 0.000 6.908) 7.021 13.807 ( -7.051 0.000 0.391) 7.061 14.216 ( 2.166 -0.000 2.232) 3.110 14.947 ( 8.917 -0.000 -20.218) 22.097 17.842 ( 8.729 -0.000 -28.413) 29.723 18.338 ( 9.456 -0.000 19.510) 21.681 19.730 ( -9.859 0.000 -8.489) 13.010 19.796 ( 7.141 -0.000 -4.702) 8.551 20.256 ( 5.909 -0.000 11.331) 12.779 23.381 ( 18.141 -0.000 -6.708) 19.341 23.981 ( -18.988 0.000 -9.568) 21.263 24.457 ( -8.676 0.000 4.881) 9.955 ======================= Grid point 859 (431/432) ======================= q-point: (-0.09 -0.18 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 1.338 -1.890 13.102) 13.305 2.309 ( -4.502 -4.690 15.320) 16.642 3.054 ( 10.508 -0.716 -5.045) 11.678 3.154 ( -2.297 -1.940 -1.315) 3.281 3.273 ( -10.952 0.578 -4.940) 12.028 3.958 ( -3.999 8.667 -13.854) 16.824 4.018 ( -11.115 4.518 0.509) 12.009 4.279 ( -4.974 -6.735 -8.492) 11.926 4.645 ( 1.194 -2.684 8.728) 9.208 5.170 ( 12.382 -0.356 0.140) 12.388 5.448 ( 0.685 0.622 16.388) 16.414 5.651 ( 16.784 1.036 -2.053) 16.941 6.895 ( 11.044 4.691 -1.640) 12.110 7.211 ( -1.222 -5.338 -0.971) 5.562 7.733 ( 6.000 -0.232 17.615) 18.610 9.338 ( 7.841 0.681 -2.748) 8.337 9.514 ( 4.517 20.305 7.671) 22.171 9.592 ( 0.783 -5.683 -0.935) 5.813 9.887 ( 1.876 -19.100 10.764) 22.004 10.536 ( -17.974 3.989 29.749) 34.985 10.821 ( 3.124 -0.517 -14.558) 14.899 11.084 ( -22.454 2.758 1.408) 22.666 11.507 ( -2.201 0.394 -10.323) 10.562 12.835 ( -8.696 1.104 1.103) 8.834 13.375 ( 0.070 -4.332 9.403) 10.353 13.709 ( -7.051 -2.138 -1.445) 7.508 14.268 ( 0.850 -1.378 2.107) 2.658 14.822 ( 8.279 1.720 -20.196) 21.895 17.695 ( 11.899 -0.025 -21.349) 24.441 18.669 ( 12.876 0.398 12.965) 18.277 19.432 ( -13.613 3.657 -12.842) 19.068 19.819 ( 1.885 -2.161 -4.435) 5.282 20.509 ( 13.988 -0.665 10.037) 17.229 23.491 ( -10.222 2.228 -14.403) 17.802 23.584 ( 0.164 4.501 -0.022) 4.504 24.401 ( -10.862 -5.508 2.441) 12.421 ======================= Grid point 870 (432/432) ======================= q-point: (-0.09 -0.09 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 2.243 -0.000 12.373) 12.575 2.439 ( -0.245 0.000 15.614) 15.615 3.083 ( -8.729 0.000 -2.775) 9.159 3.105 ( -1.118 0.000 -1.387) 1.781 3.137 ( 9.389 -0.000 -5.045) 10.659 3.761 ( -7.726 0.000 -11.637) 13.968 3.932 ( -3.576 0.000 -3.246) 4.830 4.069 ( -8.650 0.000 -7.088) 11.183 4.781 ( 4.032 -0.000 9.981) 10.764 5.260 ( 2.887 -0.000 -0.140) 2.890 5.648 ( 2.894 -0.000 12.695) 13.021 5.849 ( 15.529 -0.000 -2.405) 15.714 7.043 ( 14.195 -0.000 -5.685) 15.291 7.151 ( -4.615 0.000 1.826) 4.963 8.109 ( 10.949 -0.000 26.784) 28.935 9.408 ( 12.356 -0.000 -7.579) 14.495 9.571 ( -2.497 0.000 4.820) 5.428 9.812 ( 9.154 -0.000 -0.646) 9.177 9.848 ( -11.363 0.000 18.335) 21.571 10.637 ( -25.150 0.000 26.733) 36.704 10.688 ( 2.441 -0.000 -16.400) 16.581 10.915 ( -4.714 0.000 9.997) 11.052 11.316 ( -2.008 0.000 -16.875) 16.994 12.679 ( -15.357 0.000 -3.364) 15.721 13.470 ( -0.213 0.000 9.804) 9.806 13.610 ( -1.612 0.000 -2.508) 2.981 14.291 ( -0.603 0.000 2.628) 2.696 14.716 ( 7.193 -0.000 -17.818) 19.216 17.677 ( 14.973 -0.000 -13.127) 19.913 18.932 ( 5.714 -0.000 0.604) 5.746 19.115 ( -7.253 0.000 -9.569) 12.007 19.755 ( -4.355 0.000 -2.534) 5.039 20.856 ( 21.845 -0.000 9.595) 23.859 23.039 ( -29.867 0.000 -11.792) 32.111 23.717 ( 13.150 -0.000 -2.224) 13.337 24.260 ( -11.824 0.000 2.323) 12.050 =================== 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 3/56628 10.0 6102.412 7788.825 7473.526 -0.000 392.467 0.000 3/56628 20.0 866.060 798.739 850.559 -0.000 42.871 0.000 3/56628 30.0 277.390 221.581 253.003 -0.000 7.830 0.000 3/56628 40.0 139.872 103.365 121.436 -0.000 2.403 0.000 3/56628 50.0 87.626 61.768 73.662 -0.000 0.982 0.000 3/56628 60.0 61.821 42.325 50.996 -0.000 0.435 0.000 3/56628 70.0 46.933 31.560 38.330 -0.000 0.157 0.000 3/56628 80.0 37.449 24.910 30.445 -0.000 -0.013 0.000 3/56628 90.0 30.979 20.475 25.148 -0.000 -0.125 0.000 3/56628 100.0 26.337 17.347 21.387 -0.000 -0.201 0.000 3/56628 110.0 22.873 15.042 18.599 -0.000 -0.254 0.000 3/56628 120.0 20.205 13.282 16.461 -0.000 -0.289 0.000 3/56628 130.0 18.096 11.898 14.775 -0.000 -0.312 0.000 3/56628 140.0 16.392 10.784 13.414 -0.000 -0.326 0.000 3/56628 150.0 14.990 9.868 12.295 -0.000 -0.333 0.000 3/56628 160.0 13.816 9.102 11.359 -0.000 -0.335 0.000 3/56628 170.0 12.821 8.452 10.564 -0.000 -0.334 0.000 3/56628 180.0 11.966 7.893 9.881 -0.000 -0.330 0.000 3/56628 190.0 11.225 7.407 9.287 -0.000 -0.324 0.000 3/56628 200.0 10.575 6.980 8.766 -0.000 -0.318 0.000 3/56628 210.0 10.001 6.602 8.304 -0.000 -0.311 0.000 3/56628 220.0 9.490 6.265 7.893 -0.000 -0.303 0.000 3/56628 230.0 9.033 5.962 7.523 -0.000 -0.295 0.000 3/56628 240.0 8.620 5.689 7.189 -0.000 -0.287 0.000 3/56628 250.0 8.245 5.440 6.885 -0.000 -0.279 0.000 3/56628 260.0 7.904 5.214 6.607 -0.000 -0.271 0.000 3/56628 270.0 7.592 5.006 6.353 -0.000 -0.264 0.000 3/56628 280.0 7.305 4.815 6.118 -0.000 -0.256 0.000 3/56628 290.0 7.040 4.638 5.901 -0.000 -0.249 0.000 3/56628 300.0 6.794 4.474 5.699 -0.000 -0.242 0.000 3/56628 310.0 6.566 4.322 5.512 -0.000 -0.236 0.000 3/56628 320.0 6.354 4.181 5.337 -0.000 -0.230 0.000 3/56628 330.0 6.155 4.048 5.173 -0.000 -0.224 0.000 3/56628 340.0 5.969 3.924 5.019 -0.000 -0.218 0.000 3/56628 350.0 5.795 3.808 4.875 -0.000 -0.212 0.000 3/56628 360.0 5.630 3.698 4.739 -0.000 -0.207 0.000 3/56628 370.0 5.476 3.595 4.610 -0.000 -0.202 0.000 3/56628 380.0 5.329 3.497 4.488 -0.000 -0.197 0.000 3/56628 390.0 5.191 3.405 4.373 -0.000 -0.192 0.000 3/56628 400.0 5.060 3.318 4.264 -0.000 -0.188 0.000 3/56628 410.0 4.935 3.235 4.160 -0.000 -0.184 0.000 3/56628 420.0 4.817 3.156 4.061 -0.000 -0.180 0.000 3/56628 430.0 4.704 3.081 3.967 -0.000 -0.176 0.000 3/56628 440.0 4.596 3.009 3.877 -0.000 -0.172 0.000 3/56628 450.0 4.494 2.941 3.791 -0.000 -0.168 0.000 3/56628 460.0 4.396 2.876 3.709 -0.000 -0.165 0.000 3/56628 470.0 4.302 2.814 3.631 -0.000 -0.161 0.000 3/56628 480.0 4.212 2.754 3.555 -0.000 -0.158 0.000 3/56628 490.0 4.126 2.697 3.483 -0.000 -0.155 0.000 3/56628 500.0 4.044 2.642 3.414 -0.000 -0.152 0.000 3/56628 510.0 3.964 2.590 3.347 -0.000 -0.149 0.000 3/56628 520.0 3.888 2.539 3.284 -0.000 -0.146 0.000 3/56628 530.0 3.815 2.491 3.222 -0.000 -0.144 0.000 3/56628 540.0 3.744 2.444 3.163 -0.000 -0.141 0.000 3/56628 550.0 3.676 2.399 3.106 -0.000 -0.139 0.000 3/56628 560.0 3.611 2.356 3.050 -0.000 -0.136 0.000 3/56628 570.0 3.548 2.314 2.997 -0.000 -0.134 0.000 3/56628 580.0 3.487 2.274 2.946 -0.000 -0.132 0.000 3/56628 590.0 3.428 2.235 2.896 -0.000 -0.129 0.000 3/56628 600.0 3.371 2.198 2.848 -0.000 -0.127 0.000 3/56628 610.0 3.316 2.161 2.802 -0.000 -0.125 0.000 3/56628 620.0 3.263 2.126 2.757 -0.000 -0.123 0.000 3/56628 630.0 3.211 2.092 2.714 -0.000 -0.121 0.000 3/56628 640.0 3.161 2.059 2.672 -0.000 -0.120 0.000 3/56628 650.0 3.112 2.027 2.631 -0.000 -0.118 0.000 3/56628 660.0 3.065 1.996 2.591 -0.000 -0.116 0.000 3/56628 670.0 3.020 1.966 2.553 -0.000 -0.114 0.000 3/56628 680.0 2.976 1.937 2.515 -0.000 -0.113 0.000 3/56628 690.0 2.933 1.909 2.479 -0.000 -0.111 0.000 3/56628 700.0 2.891 1.882 2.444 -0.000 -0.109 0.000 3/56628 710.0 2.850 1.855 2.410 -0.000 -0.108 0.000 3/56628 720.0 2.811 1.829 2.376 -0.000 -0.106 0.000 3/56628 730.0 2.773 1.804 2.344 -0.000 -0.105 0.000 3/56628 740.0 2.735 1.779 2.313 -0.000 -0.104 0.000 3/56628 750.0 2.699 1.756 2.282 -0.000 -0.102 0.000 3/56628 760.0 2.664 1.732 2.252 -0.000 -0.101 0.000 3/56628 770.0 2.629 1.710 2.223 -0.000 -0.100 0.000 3/56628 780.0 2.596 1.688 2.195 -0.000 -0.098 0.000 3/56628 790.0 2.563 1.666 2.167 -0.000 -0.097 0.000 3/56628 800.0 2.531 1.645 2.140 -0.000 -0.096 0.000 3/56628 810.0 2.500 1.625 2.114 -0.000 -0.095 0.000 3/56628 820.0 2.469 1.605 2.088 -0.000 -0.094 0.000 3/56628 830.0 2.440 1.586 2.063 -0.000 -0.092 0.000 3/56628 840.0 2.411 1.567 2.039 -0.000 -0.091 0.000 3/56628 850.0 2.383 1.548 2.015 -0.000 -0.090 0.000 3/56628 860.0 2.355 1.530 1.992 -0.000 -0.089 0.000 3/56628 870.0 2.328 1.513 1.969 -0.000 -0.088 0.000 3/56628 880.0 2.302 1.495 1.947 -0.000 -0.087 0.000 3/56628 890.0 2.276 1.479 1.925 -0.000 -0.086 0.000 3/56628 900.0 2.251 1.462 1.904 -0.000 -0.085 0.000 3/56628 910.0 2.226 1.446 1.883 -0.000 -0.084 0.000 3/56628 920.0 2.202 1.430 1.862 -0.000 -0.083 0.000 3/56628 930.0 2.178 1.415 1.842 -0.000 -0.083 0.000 3/56628 940.0 2.155 1.400 1.823 -0.000 -0.082 0.000 3/56628 950.0 2.133 1.385 1.804 -0.000 -0.081 0.000 3/56628 960.0 2.111 1.370 1.785 -0.000 -0.080 0.000 3/56628 970.0 2.089 1.356 1.767 -0.000 -0.079 0.000 3/56628 980.0 2.068 1.342 1.749 -0.000 -0.078 0.000 3/56628 990.0 2.047 1.329 1.731 -0.000 -0.078 0.000 3/56628 1000.0 2.026 1.315 1.714 -0.000 -0.077 0.000 3/56628 Thermal conductivity related properties were written into "kappa-m111113.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:13:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|