----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:46:04]------------------------- 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 3 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.604437220007285 0.000000000000000 0.000000000000000 b 0.000000000000000 6.558551559999999 0.000000000000000 c -2.849624950232720 0.000000000000000 6.079159212739917 Atomic positions (fractional): *1 Sb 0.85048468057692 0.86512938322681 0.12022736382726 121.760 2 Sb 0.14951531942308 0.36512938322681 0.37977263617274 121.760 3 Sb 0.14951531942308 0.13487061677319 0.87977263617274 121.760 4 Sb 0.85048468057692 0.63487061677319 0.62022736382726 121.760 *5 Sb 0.65549161057647 0.36206796126598 0.81993270006941 121.760 6 Sb 0.34450838942353 0.86206796126598 0.68006729993059 121.760 7 Sb 0.34450838942353 0.63793203873402 0.18006729993059 121.760 8 Sb 0.65549161057647 0.13793203873402 0.31993270006941 121.760 *9 Ir 0.72812968494810 0.50156357835702 0.20761136277065 192.217 10 Ir 0.27187031505190 0.00156357835702 0.29238863722935 192.217 11 Ir 0.27187031505190 0.49843642164298 0.79238863722935 192.217 12 Ir 0.72812968494810 0.99843642164298 0.70761136277065 192.217 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.604437220007285 0.000000000000000 0.000000000000000 b 0.000000000000000 6.558551559999999 0.000000000000000 c -2.849624950232720 0.000000000000000 6.079159212739917 Atomic positions (fractional): *1 Sb 0.85048468057692 0.86512938322681 0.12022736382726 121.760 > 1 2 Sb 0.14951531942308 0.36512938322681 0.37977263617274 121.760 > 2 3 Sb 0.14951531942308 0.13487061677319 0.87977263617274 121.760 > 3 4 Sb 0.85048468057692 0.63487061677319 0.62022736382726 121.760 > 4 *5 Sb 0.65549161057647 0.36206796126598 0.81993270006941 121.760 > 5 6 Sb 0.34450838942353 0.86206796126598 0.68006729993059 121.760 > 6 7 Sb 0.34450838942353 0.63793203873402 0.18006729993059 121.760 > 7 8 Sb 0.65549161057647 0.13793203873402 0.31993270006941 121.760 > 8 *9 Ir 0.72812968494810 0.50156357835702 0.20761136277065 192.217 > 9 10 Ir 0.27187031505190 0.00156357835702 0.29238863722935 192.217 > 10 11 Ir 0.27187031505190 0.49843642164298 0.79238863722935 192.217 > 11 12 Ir 0.72812968494810 0.99843642164298 0.70761136277065 192.217 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.208874440014570 0.000000000000000 0.000000000000000 b 0.000000000000000 19.675654679999997 0.000000000000000 c -5.699249900465440 0.000000000000000 12.158318425479834 Atomic positions (fractional): *1 Sb 0.42524234028846 0.28837646107560 0.06011368191363 121.760 > 1 2 Sb 0.92524234028846 0.28837646107560 0.06011368191363 121.760 > 1 3 Sb 0.42524234028846 0.62170979440894 0.06011368191363 121.760 > 1 4 Sb 0.92524234028846 0.62170979440894 0.06011368191363 121.760 > 1 5 Sb 0.42524234028846 0.95504312774227 0.06011368191363 121.760 > 1 6 Sb 0.92524234028846 0.95504312774227 0.06011368191363 121.760 > 1 7 Sb 0.42524234028846 0.28837646107560 0.56011368191363 121.760 > 1 8 Sb 0.92524234028846 0.28837646107560 0.56011368191363 121.760 > 1 9 Sb 0.42524234028846 0.62170979440894 0.56011368191363 121.760 > 1 10 Sb 0.92524234028846 0.62170979440894 0.56011368191363 121.760 > 1 11 Sb 0.42524234028846 0.95504312774227 0.56011368191363 121.760 > 1 12 Sb 0.92524234028846 0.95504312774227 0.56011368191363 121.760 > 1 13 Sb 0.07475765971154 0.12170979440894 0.18988631808637 121.760 > 2 14 Sb 0.57475765971154 0.12170979440894 0.18988631808637 121.760 > 2 15 Sb 0.07475765971154 0.45504312774227 0.18988631808637 121.760 > 2 16 Sb 0.57475765971154 0.45504312774227 0.18988631808637 121.760 > 2 17 Sb 0.07475765971154 0.78837646107560 0.18988631808637 121.760 > 2 18 Sb 0.57475765971154 0.78837646107560 0.18988631808637 121.760 > 2 19 Sb 0.07475765971154 0.12170979440894 0.68988631808637 121.760 > 2 20 Sb 0.57475765971154 0.12170979440894 0.68988631808637 121.760 > 2 21 Sb 0.07475765971154 0.45504312774227 0.68988631808637 121.760 > 2 22 Sb 0.57475765971154 0.45504312774227 0.68988631808637 121.760 > 2 23 Sb 0.07475765971154 0.78837646107560 0.68988631808637 121.760 > 2 24 Sb 0.57475765971154 0.78837646107560 0.68988631808637 121.760 > 2 25 Sb 0.07475765971154 0.04495687225773 0.43988631808637 121.760 > 3 26 Sb 0.57475765971154 0.04495687225773 0.43988631808637 121.760 > 3 27 Sb 0.07475765971154 0.37829020559106 0.43988631808637 121.760 > 3 28 Sb 0.57475765971154 0.37829020559106 0.43988631808637 121.760 > 3 29 Sb 0.07475765971154 0.71162353892440 0.43988631808637 121.760 > 3 30 Sb 0.57475765971154 0.71162353892440 0.43988631808637 121.760 > 3 31 Sb 0.07475765971154 0.04495687225773 0.93988631808637 121.760 > 3 32 Sb 0.57475765971154 0.04495687225773 0.93988631808637 121.760 > 3 33 Sb 0.07475765971154 0.37829020559106 0.93988631808637 121.760 > 3 34 Sb 0.57475765971154 0.37829020559106 0.93988631808637 121.760 > 3 35 Sb 0.07475765971154 0.71162353892440 0.93988631808637 121.760 > 3 36 Sb 0.57475765971154 0.71162353892440 0.93988631808637 121.760 > 3 37 Sb 0.42524234028846 0.21162353892440 0.31011368191363 121.760 > 4 38 Sb 0.92524234028846 0.21162353892440 0.31011368191363 121.760 > 4 39 Sb 0.42524234028846 0.54495687225773 0.31011368191363 121.760 > 4 40 Sb 0.92524234028846 0.54495687225773 0.31011368191363 121.760 > 4 41 Sb 0.42524234028846 0.87829020559106 0.31011368191363 121.760 > 4 42 Sb 0.92524234028846 0.87829020559106 0.31011368191363 121.760 > 4 43 Sb 0.42524234028846 0.21162353892440 0.81011368191363 121.760 > 4 44 Sb 0.92524234028846 0.21162353892440 0.81011368191363 121.760 > 4 45 Sb 0.42524234028846 0.54495687225773 0.81011368191363 121.760 > 4 46 Sb 0.92524234028846 0.54495687225773 0.81011368191363 121.760 > 4 47 Sb 0.42524234028846 0.87829020559106 0.81011368191363 121.760 > 4 48 Sb 0.92524234028846 0.87829020559106 0.81011368191363 121.760 > 4 *49 Sb 0.32774580528823 0.12068932042199 0.40996635003470 121.760 > 5 50 Sb 0.82774580528823 0.12068932042199 0.40996635003470 121.760 > 5 51 Sb 0.32774580528823 0.45402265375533 0.40996635003470 121.760 > 5 52 Sb 0.82774580528823 0.45402265375533 0.40996635003470 121.760 > 5 53 Sb 0.32774580528823 0.78735598708866 0.40996635003470 121.760 > 5 54 Sb 0.82774580528823 0.78735598708866 0.40996635003470 121.760 > 5 55 Sb 0.32774580528823 0.12068932042199 0.90996635003470 121.760 > 5 56 Sb 0.82774580528823 0.12068932042199 0.90996635003470 121.760 > 5 57 Sb 0.32774580528823 0.45402265375533 0.90996635003470 121.760 > 5 58 Sb 0.82774580528823 0.45402265375533 0.90996635003470 121.760 > 5 59 Sb 0.32774580528823 0.78735598708866 0.90996635003470 121.760 > 5 60 Sb 0.82774580528823 0.78735598708866 0.90996635003470 121.760 > 5 61 Sb 0.17225419471177 0.28735598708866 0.34003364996530 121.760 > 6 62 Sb 0.67225419471177 0.28735598708866 0.34003364996530 121.760 > 6 63 Sb 0.17225419471177 0.62068932042199 0.34003364996530 121.760 > 6 64 Sb 0.67225419471177 0.62068932042199 0.34003364996530 121.760 > 6 65 Sb 0.17225419471177 0.95402265375533 0.34003364996530 121.760 > 6 66 Sb 0.67225419471177 0.95402265375533 0.34003364996530 121.760 > 6 67 Sb 0.17225419471177 0.28735598708866 0.84003364996530 121.760 > 6 68 Sb 0.67225419471177 0.28735598708866 0.84003364996530 121.760 > 6 69 Sb 0.17225419471177 0.62068932042199 0.84003364996530 121.760 > 6 70 Sb 0.67225419471177 0.62068932042199 0.84003364996530 121.760 > 6 71 Sb 0.17225419471177 0.95402265375533 0.84003364996530 121.760 > 6 72 Sb 0.67225419471177 0.95402265375533 0.84003364996530 121.760 > 6 73 Sb 0.17225419471177 0.21264401291134 0.09003364996530 121.760 > 7 74 Sb 0.67225419471177 0.21264401291134 0.09003364996530 121.760 > 7 75 Sb 0.17225419471177 0.54597734624467 0.09003364996530 121.760 > 7 76 Sb 0.67225419471177 0.54597734624467 0.09003364996530 121.760 > 7 77 Sb 0.17225419471177 0.87931067957801 0.09003364996530 121.760 > 7 78 Sb 0.67225419471177 0.87931067957801 0.09003364996530 121.760 > 7 79 Sb 0.17225419471177 0.21264401291134 0.59003364996530 121.760 > 7 80 Sb 0.67225419471177 0.21264401291134 0.59003364996530 121.760 > 7 81 Sb 0.17225419471177 0.54597734624467 0.59003364996530 121.760 > 7 82 Sb 0.67225419471177 0.54597734624467 0.59003364996530 121.760 > 7 83 Sb 0.17225419471177 0.87931067957801 0.59003364996530 121.760 > 7 84 Sb 0.67225419471177 0.87931067957801 0.59003364996530 121.760 > 7 85 Sb 0.32774580528823 0.04597734624467 0.15996635003470 121.760 > 8 86 Sb 0.82774580528823 0.04597734624467 0.15996635003470 121.760 > 8 87 Sb 0.32774580528823 0.37931067957801 0.15996635003470 121.760 > 8 88 Sb 0.82774580528823 0.37931067957801 0.15996635003470 121.760 > 8 89 Sb 0.32774580528823 0.71264401291134 0.15996635003470 121.760 > 8 90 Sb 0.82774580528823 0.71264401291134 0.15996635003470 121.760 > 8 91 Sb 0.32774580528823 0.04597734624467 0.65996635003470 121.760 > 8 92 Sb 0.82774580528823 0.04597734624467 0.65996635003470 121.760 > 8 93 Sb 0.32774580528823 0.37931067957801 0.65996635003470 121.760 > 8 94 Sb 0.82774580528823 0.37931067957801 0.65996635003470 121.760 > 8 95 Sb 0.32774580528823 0.71264401291134 0.65996635003470 121.760 > 8 96 Sb 0.82774580528823 0.71264401291134 0.65996635003470 121.760 > 8 *97 Ir 0.36406484247405 0.16718785945234 0.10380568138533 192.217 > 9 98 Ir 0.86406484247405 0.16718785945234 0.10380568138533 192.217 > 9 99 Ir 0.36406484247405 0.50052119278567 0.10380568138533 192.217 > 9 100 Ir 0.86406484247405 0.50052119278567 0.10380568138533 192.217 > 9 101 Ir 0.36406484247405 0.83385452611901 0.10380568138533 192.217 > 9 102 Ir 0.86406484247405 0.83385452611901 0.10380568138533 192.217 > 9 103 Ir 0.36406484247405 0.16718785945234 0.60380568138532 192.217 > 9 104 Ir 0.86406484247405 0.16718785945234 0.60380568138532 192.217 > 9 105 Ir 0.36406484247405 0.50052119278567 0.60380568138532 192.217 > 9 106 Ir 0.86406484247405 0.50052119278567 0.60380568138532 192.217 > 9 107 Ir 0.36406484247405 0.83385452611901 0.60380568138532 192.217 > 9 108 Ir 0.86406484247405 0.83385452611901 0.60380568138532 192.217 > 9 109 Ir 0.13593515752595 0.00052119278567 0.14619431861467 192.217 > 10 110 Ir 0.63593515752595 0.00052119278567 0.14619431861467 192.217 > 10 111 Ir 0.13593515752595 0.33385452611901 0.14619431861467 192.217 > 10 112 Ir 0.63593515752595 0.33385452611901 0.14619431861467 192.217 > 10 113 Ir 0.13593515752595 0.66718785945234 0.14619431861467 192.217 > 10 114 Ir 0.63593515752595 0.66718785945234 0.14619431861467 192.217 > 10 115 Ir 0.13593515752595 0.00052119278567 0.64619431861468 192.217 > 10 116 Ir 0.63593515752595 0.00052119278567 0.64619431861468 192.217 > 10 117 Ir 0.13593515752595 0.33385452611901 0.64619431861468 192.217 > 10 118 Ir 0.63593515752595 0.33385452611901 0.64619431861468 192.217 > 10 119 Ir 0.13593515752595 0.66718785945234 0.64619431861468 192.217 > 10 120 Ir 0.63593515752595 0.66718785945234 0.64619431861468 192.217 > 10 121 Ir 0.13593515752595 0.16614547388099 0.39619431861468 192.217 > 11 122 Ir 0.63593515752595 0.16614547388099 0.39619431861468 192.217 > 11 123 Ir 0.13593515752595 0.49947880721433 0.39619431861468 192.217 > 11 124 Ir 0.63593515752595 0.49947880721433 0.39619431861468 192.217 > 11 125 Ir 0.13593515752595 0.83281214054766 0.39619431861468 192.217 > 11 126 Ir 0.63593515752595 0.83281214054766 0.39619431861468 192.217 > 11 127 Ir 0.13593515752595 0.16614547388099 0.89619431861468 192.217 > 11 128 Ir 0.63593515752595 0.16614547388099 0.89619431861468 192.217 > 11 129 Ir 0.13593515752595 0.49947880721433 0.89619431861468 192.217 > 11 130 Ir 0.63593515752595 0.49947880721433 0.89619431861468 192.217 > 11 131 Ir 0.13593515752595 0.83281214054766 0.89619431861468 192.217 > 11 132 Ir 0.63593515752595 0.83281214054766 0.89619431861468 192.217 > 11 133 Ir 0.36406484247405 0.33281214054766 0.35380568138532 192.217 > 12 134 Ir 0.86406484247405 0.33281214054766 0.35380568138532 192.217 > 12 135 Ir 0.36406484247405 0.66614547388099 0.35380568138532 192.217 > 12 136 Ir 0.86406484247405 0.66614547388099 0.35380568138532 192.217 > 12 137 Ir 0.36406484247405 0.99947880721433 0.35380568138532 192.217 > 12 138 Ir 0.86406484247405 0.99947880721433 0.35380568138532 192.217 > 12 139 Ir 0.36406484247405 0.33281214054766 0.85380568138532 192.217 > 12 140 Ir 0.86406484247405 0.33281214054766 0.85380568138532 192.217 > 12 141 Ir 0.36406484247405 0.66614547388099 0.85380568138532 192.217 > 12 142 Ir 0.86406484247405 0.66614547388099 0.85380568138532 192.217 > 12 143 Ir 0.36406484247405 0.99947880721433 0.85380568138532 192.217 > 12 144 Ir 0.86406484247405 0.99947880721433 0.85380568138532 192.217 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 22.1553976 0.0000000 -0.9718168 0.0000000 24.9647145 0.0000000 -0.9718169 0.0000000 23.1852036 -------------------------- Born effective charges -------------------------- 1 Sb 2.6180051 -0.0855491 0.5198992 -0.4771114 2.8378791 0.4226815 -0.0365865 0.0816813 3.2209215 2 Sb 2.6180051 0.0855491 0.5198992 0.4771114 2.8378791 -0.4226815 -0.0365865 -0.0816813 3.2209215 3 Sb 2.6180051 -0.0855491 0.5198992 -0.4771114 2.8378791 0.4226815 -0.0365865 0.0816813 3.2209215 4 Sb 2.6180051 0.0855491 0.5198992 0.4771114 2.8378791 -0.4226815 -0.0365865 -0.0816813 3.2209215 5 Sb 3.3642312 0.1503808 -0.1882444 0.0238358 2.8582677 -0.1295205 0.0502131 0.1498280 2.9898467 6 Sb 3.3642312 -0.1503808 -0.1882444 -0.0238358 2.8582677 0.1295205 0.0502131 -0.1498280 2.9898467 7 Sb 3.3642312 0.1503808 -0.1882444 0.0238358 2.8582677 -0.1295205 0.0502131 0.1498280 2.9898467 8 Sb 3.3642312 -0.1503808 -0.1882444 -0.0238358 2.8582677 0.1295205 0.0502131 -0.1498280 2.9898467 9 Ir -5.9822363 0.5911352 -0.3316548 0.2101387 -5.6961468 -0.1042166 -0.0136265 -0.4062883 -6.2107682 10 Ir -5.9822363 -0.5911352 -0.3316548 -0.2101387 -5.6961468 0.1042166 -0.0136265 0.4062883 -6.2107682 11 Ir -5.9822363 0.5911352 -0.3316548 0.2101387 -5.6961468 -0.1042166 -0.0136265 -0.4062883 -6.2107682 12 Ir -5.9822363 -0.5911352 -0.3316548 -0.2101387 -5.6961468 0.1042166 -0.0136265 0.4062883 -6.2107682 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2034 Number of blocks in projector: 2034 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: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 246 Use standard eigh solver. Tree of FC basis block matrices: - (2034, 2008), data: False |-- (246, 243), data: True |-- (246, 243), data: True |-- (246, 243), data: True |-- (432, 426), data: True |-- (432, 427), data: True |-- (432, 426), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 400 - Time: 4.679 Solver_block: 200 / 400 - Time: 4.647 Solver_block: 300 / 400 - Time: 4.589 Solver_block: 400 / 400 - Time: 4.566 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 18.783 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2034 Number of blocks in projector: 2034 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: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 246 Use standard eigh solver. Tree of FC basis block matrices: - (2034, 2008), data: False |-- (246, 243), data: True |-- (246, 243), data: True |-- (246, 243), data: True |-- (432, 426), data: True |-- (432, 427), data: True |-- (432, 426), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 18:47:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:47:04]------------------------- 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 3 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.604437220007285 0.000000000000000 0.000000000000000 b 0.000000000000000 6.558551559999999 0.000000000000000 c -2.849624950232720 0.000000000000000 6.079159212739917 Atomic positions (fractional): 1 Sb 0.85048468057692 0.86512938322681 0.12022736382726 121.760 2 Sb 0.14951531942308 0.36512938322681 0.37977263617274 121.760 3 Sb 0.14951531942308 0.13487061677319 0.87977263617274 121.760 4 Sb 0.85048468057692 0.63487061677319 0.62022736382726 121.760 5 Sb 0.65549161057647 0.36206796126598 0.81993270006941 121.760 6 Sb 0.34450838942353 0.86206796126598 0.68006729993059 121.760 7 Sb 0.34450838942353 0.63793203873402 0.18006729993059 121.760 8 Sb 0.65549161057647 0.13793203873402 0.31993270006941 121.760 9 Ir 0.72812968494810 0.50156357835702 0.20761136277065 192.217 10 Ir 0.27187031505190 0.00156357835702 0.29238863722935 192.217 11 Ir 0.27187031505190 0.49843642164298 0.79238863722935 192.217 12 Ir 0.72812968494810 0.99843642164298 0.70761136277065 192.217 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.208874440014570 0.000000000000000 0.000000000000000 b 0.000000000000000 19.675654679999997 0.000000000000000 c -5.699249900465440 0.000000000000000 12.158318425479834 Atomic positions (fractional): 1 Sb 0.42524234028846 0.28837646107560 0.06011368191363 121.760 > 1 2 Sb 0.92524234028846 0.28837646107560 0.06011368191363 121.760 > 1 3 Sb 0.42524234028846 0.62170979440894 0.06011368191363 121.760 > 1 4 Sb 0.92524234028846 0.62170979440894 0.06011368191363 121.760 > 1 5 Sb 0.42524234028846 0.95504312774227 0.06011368191363 121.760 > 1 6 Sb 0.92524234028846 0.95504312774227 0.06011368191363 121.760 > 1 7 Sb 0.42524234028846 0.28837646107560 0.56011368191363 121.760 > 1 8 Sb 0.92524234028846 0.28837646107560 0.56011368191363 121.760 > 1 9 Sb 0.42524234028846 0.62170979440894 0.56011368191363 121.760 > 1 10 Sb 0.92524234028846 0.62170979440894 0.56011368191363 121.760 > 1 11 Sb 0.42524234028846 0.95504312774227 0.56011368191363 121.760 > 1 12 Sb 0.92524234028846 0.95504312774227 0.56011368191363 121.760 > 1 13 Sb 0.07475765971154 0.12170979440894 0.18988631808637 121.760 > 13 14 Sb 0.57475765971154 0.12170979440894 0.18988631808637 121.760 > 13 15 Sb 0.07475765971154 0.45504312774227 0.18988631808637 121.760 > 13 16 Sb 0.57475765971154 0.45504312774227 0.18988631808637 121.760 > 13 17 Sb 0.07475765971154 0.78837646107560 0.18988631808637 121.760 > 13 18 Sb 0.57475765971154 0.78837646107560 0.18988631808637 121.760 > 13 19 Sb 0.07475765971154 0.12170979440894 0.68988631808637 121.760 > 13 20 Sb 0.57475765971154 0.12170979440894 0.68988631808637 121.760 > 13 21 Sb 0.07475765971154 0.45504312774227 0.68988631808637 121.760 > 13 22 Sb 0.57475765971154 0.45504312774227 0.68988631808637 121.760 > 13 23 Sb 0.07475765971154 0.78837646107560 0.68988631808637 121.760 > 13 24 Sb 0.57475765971154 0.78837646107560 0.68988631808637 121.760 > 13 25 Sb 0.07475765971154 0.04495687225773 0.43988631808637 121.760 > 25 26 Sb 0.57475765971154 0.04495687225773 0.43988631808637 121.760 > 25 27 Sb 0.07475765971154 0.37829020559106 0.43988631808637 121.760 > 25 28 Sb 0.57475765971154 0.37829020559106 0.43988631808637 121.760 > 25 29 Sb 0.07475765971154 0.71162353892440 0.43988631808637 121.760 > 25 30 Sb 0.57475765971154 0.71162353892440 0.43988631808637 121.760 > 25 31 Sb 0.07475765971154 0.04495687225773 0.93988631808637 121.760 > 25 32 Sb 0.57475765971154 0.04495687225773 0.93988631808637 121.760 > 25 33 Sb 0.07475765971154 0.37829020559106 0.93988631808637 121.760 > 25 34 Sb 0.57475765971154 0.37829020559106 0.93988631808637 121.760 > 25 35 Sb 0.07475765971154 0.71162353892440 0.93988631808637 121.760 > 25 36 Sb 0.57475765971154 0.71162353892440 0.93988631808637 121.760 > 25 37 Sb 0.42524234028846 0.21162353892440 0.31011368191363 121.760 > 37 38 Sb 0.92524234028846 0.21162353892440 0.31011368191363 121.760 > 37 39 Sb 0.42524234028846 0.54495687225773 0.31011368191363 121.760 > 37 40 Sb 0.92524234028846 0.54495687225773 0.31011368191363 121.760 > 37 41 Sb 0.42524234028846 0.87829020559106 0.31011368191363 121.760 > 37 42 Sb 0.92524234028846 0.87829020559106 0.31011368191363 121.760 > 37 43 Sb 0.42524234028846 0.21162353892440 0.81011368191363 121.760 > 37 44 Sb 0.92524234028846 0.21162353892440 0.81011368191363 121.760 > 37 45 Sb 0.42524234028846 0.54495687225773 0.81011368191363 121.760 > 37 46 Sb 0.92524234028846 0.54495687225773 0.81011368191363 121.760 > 37 47 Sb 0.42524234028846 0.87829020559106 0.81011368191363 121.760 > 37 48 Sb 0.92524234028846 0.87829020559106 0.81011368191363 121.760 > 37 49 Sb 0.32774580528823 0.12068932042199 0.40996635003470 121.760 > 49 50 Sb 0.82774580528823 0.12068932042199 0.40996635003470 121.760 > 49 51 Sb 0.32774580528823 0.45402265375533 0.40996635003470 121.760 > 49 52 Sb 0.82774580528823 0.45402265375533 0.40996635003470 121.760 > 49 53 Sb 0.32774580528823 0.78735598708866 0.40996635003470 121.760 > 49 54 Sb 0.82774580528823 0.78735598708866 0.40996635003470 121.760 > 49 55 Sb 0.32774580528823 0.12068932042199 0.90996635003470 121.760 > 49 56 Sb 0.82774580528823 0.12068932042199 0.90996635003470 121.760 > 49 57 Sb 0.32774580528823 0.45402265375533 0.90996635003470 121.760 > 49 58 Sb 0.82774580528823 0.45402265375533 0.90996635003470 121.760 > 49 59 Sb 0.32774580528823 0.78735598708866 0.90996635003470 121.760 > 49 60 Sb 0.82774580528823 0.78735598708866 0.90996635003470 121.760 > 49 61 Sb 0.17225419471177 0.28735598708866 0.34003364996530 121.760 > 61 62 Sb 0.67225419471177 0.28735598708866 0.34003364996530 121.760 > 61 63 Sb 0.17225419471177 0.62068932042199 0.34003364996530 121.760 > 61 64 Sb 0.67225419471177 0.62068932042199 0.34003364996530 121.760 > 61 65 Sb 0.17225419471177 0.95402265375533 0.34003364996530 121.760 > 61 66 Sb 0.67225419471177 0.95402265375533 0.34003364996530 121.760 > 61 67 Sb 0.17225419471177 0.28735598708866 0.84003364996530 121.760 > 61 68 Sb 0.67225419471177 0.28735598708866 0.84003364996530 121.760 > 61 69 Sb 0.17225419471177 0.62068932042199 0.84003364996530 121.760 > 61 70 Sb 0.67225419471177 0.62068932042199 0.84003364996530 121.760 > 61 71 Sb 0.17225419471177 0.95402265375533 0.84003364996530 121.760 > 61 72 Sb 0.67225419471177 0.95402265375533 0.84003364996530 121.760 > 61 73 Sb 0.17225419471177 0.21264401291134 0.09003364996530 121.760 > 73 74 Sb 0.67225419471177 0.21264401291134 0.09003364996530 121.760 > 73 75 Sb 0.17225419471177 0.54597734624467 0.09003364996530 121.760 > 73 76 Sb 0.67225419471177 0.54597734624467 0.09003364996530 121.760 > 73 77 Sb 0.17225419471177 0.87931067957801 0.09003364996530 121.760 > 73 78 Sb 0.67225419471177 0.87931067957801 0.09003364996530 121.760 > 73 79 Sb 0.17225419471177 0.21264401291134 0.59003364996530 121.760 > 73 80 Sb 0.67225419471177 0.21264401291134 0.59003364996530 121.760 > 73 81 Sb 0.17225419471177 0.54597734624467 0.59003364996530 121.760 > 73 82 Sb 0.67225419471177 0.54597734624467 0.59003364996530 121.760 > 73 83 Sb 0.17225419471177 0.87931067957801 0.59003364996530 121.760 > 73 84 Sb 0.67225419471177 0.87931067957801 0.59003364996530 121.760 > 73 85 Sb 0.32774580528823 0.04597734624467 0.15996635003470 121.760 > 85 86 Sb 0.82774580528823 0.04597734624467 0.15996635003470 121.760 > 85 87 Sb 0.32774580528823 0.37931067957801 0.15996635003470 121.760 > 85 88 Sb 0.82774580528823 0.37931067957801 0.15996635003470 121.760 > 85 89 Sb 0.32774580528823 0.71264401291134 0.15996635003470 121.760 > 85 90 Sb 0.82774580528823 0.71264401291134 0.15996635003470 121.760 > 85 91 Sb 0.32774580528823 0.04597734624467 0.65996635003470 121.760 > 85 92 Sb 0.82774580528823 0.04597734624467 0.65996635003470 121.760 > 85 93 Sb 0.32774580528823 0.37931067957801 0.65996635003470 121.760 > 85 94 Sb 0.82774580528823 0.37931067957801 0.65996635003470 121.760 > 85 95 Sb 0.32774580528823 0.71264401291134 0.65996635003470 121.760 > 85 96 Sb 0.82774580528823 0.71264401291134 0.65996635003470 121.760 > 85 97 Ir 0.36406484247405 0.16718785945234 0.10380568138533 192.217 > 97 98 Ir 0.86406484247405 0.16718785945234 0.10380568138533 192.217 > 97 99 Ir 0.36406484247405 0.50052119278567 0.10380568138533 192.217 > 97 100 Ir 0.86406484247405 0.50052119278567 0.10380568138533 192.217 > 97 101 Ir 0.36406484247405 0.83385452611901 0.10380568138533 192.217 > 97 102 Ir 0.86406484247405 0.83385452611901 0.10380568138533 192.217 > 97 103 Ir 0.36406484247405 0.16718785945234 0.60380568138532 192.217 > 97 104 Ir 0.86406484247405 0.16718785945234 0.60380568138532 192.217 > 97 105 Ir 0.36406484247405 0.50052119278567 0.60380568138532 192.217 > 97 106 Ir 0.86406484247405 0.50052119278567 0.60380568138532 192.217 > 97 107 Ir 0.36406484247405 0.83385452611901 0.60380568138532 192.217 > 97 108 Ir 0.86406484247405 0.83385452611901 0.60380568138532 192.217 > 97 109 Ir 0.13593515752595 0.00052119278567 0.14619431861467 192.217 > 109 110 Ir 0.63593515752595 0.00052119278567 0.14619431861467 192.217 > 109 111 Ir 0.13593515752595 0.33385452611901 0.14619431861467 192.217 > 109 112 Ir 0.63593515752595 0.33385452611901 0.14619431861467 192.217 > 109 113 Ir 0.13593515752595 0.66718785945234 0.14619431861467 192.217 > 109 114 Ir 0.63593515752595 0.66718785945234 0.14619431861467 192.217 > 109 115 Ir 0.13593515752595 0.00052119278567 0.64619431861468 192.217 > 109 116 Ir 0.63593515752595 0.00052119278567 0.64619431861468 192.217 > 109 117 Ir 0.13593515752595 0.33385452611901 0.64619431861468 192.217 > 109 118 Ir 0.63593515752595 0.33385452611901 0.64619431861468 192.217 > 109 119 Ir 0.13593515752595 0.66718785945234 0.64619431861468 192.217 > 109 120 Ir 0.63593515752595 0.66718785945234 0.64619431861468 192.217 > 109 121 Ir 0.13593515752595 0.16614547388099 0.39619431861468 192.217 > 121 122 Ir 0.63593515752595 0.16614547388099 0.39619431861468 192.217 > 121 123 Ir 0.13593515752595 0.49947880721433 0.39619431861468 192.217 > 121 124 Ir 0.63593515752595 0.49947880721433 0.39619431861468 192.217 > 121 125 Ir 0.13593515752595 0.83281214054766 0.39619431861468 192.217 > 121 126 Ir 0.63593515752595 0.83281214054766 0.39619431861468 192.217 > 121 127 Ir 0.13593515752595 0.16614547388099 0.89619431861468 192.217 > 121 128 Ir 0.63593515752595 0.16614547388099 0.89619431861468 192.217 > 121 129 Ir 0.13593515752595 0.49947880721433 0.89619431861468 192.217 > 121 130 Ir 0.63593515752595 0.49947880721433 0.89619431861468 192.217 > 121 131 Ir 0.13593515752595 0.83281214054766 0.89619431861468 192.217 > 121 132 Ir 0.63593515752595 0.83281214054766 0.89619431861468 192.217 > 121 133 Ir 0.36406484247405 0.33281214054766 0.35380568138532 192.217 > 133 134 Ir 0.86406484247405 0.33281214054766 0.35380568138532 192.217 > 133 135 Ir 0.36406484247405 0.66614547388099 0.35380568138532 192.217 > 133 136 Ir 0.86406484247405 0.66614547388099 0.35380568138532 192.217 > 133 137 Ir 0.36406484247405 0.99947880721433 0.35380568138532 192.217 > 133 138 Ir 0.86406484247405 0.99947880721433 0.35380568138532 192.217 > 133 139 Ir 0.36406484247405 0.33281214054766 0.85380568138532 192.217 > 133 140 Ir 0.86406484247405 0.33281214054766 0.85380568138532 192.217 > 133 141 Ir 0.36406484247405 0.66614547388099 0.85380568138532 192.217 > 133 142 Ir 0.86406484247405 0.66614547388099 0.85380568138532 192.217 > 133 143 Ir 0.36406484247405 0.99947880721433 0.85380568138532 192.217 > 133 144 Ir 0.86406484247405 0.99947880721433 0.85380568138532 192.217 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 22.1553976 0.0000000 -0.9718168 0.0000000 24.9647145 0.0000000 -0.9718169 0.0000000 23.1852036 -------------------------- Born effective charges -------------------------- 1 Sb 2.6180051 -0.0855491 0.5198992 -0.4771114 2.8378791 0.4226815 -0.0365865 0.0816813 3.2209215 2 Sb 2.6180051 0.0855491 0.5198992 0.4771114 2.8378791 -0.4226815 -0.0365865 -0.0816813 3.2209215 3 Sb 2.6180051 -0.0855491 0.5198992 -0.4771114 2.8378791 0.4226815 -0.0365865 0.0816813 3.2209215 4 Sb 2.6180051 0.0855491 0.5198992 0.4771114 2.8378791 -0.4226815 -0.0365865 -0.0816813 3.2209215 5 Sb 3.3642312 0.1503808 -0.1882444 0.0238358 2.8582677 -0.1295205 0.0502131 0.1498280 2.9898467 6 Sb 3.3642312 -0.1503808 -0.1882444 -0.0238358 2.8582677 0.1295205 0.0502131 -0.1498280 2.9898467 7 Sb 3.3642312 0.1503808 -0.1882444 0.0238358 2.8582677 -0.1295205 0.0502131 0.1498280 2.9898467 8 Sb 3.3642312 -0.1503808 -0.1882444 -0.0238358 2.8582677 0.1295205 0.0502131 -0.1498280 2.9898467 9 Ir -5.9822363 0.5911352 -0.3316548 0.2101387 -5.6961468 -0.1042166 -0.0136265 -0.4062883 -6.2107682 10 Ir -5.9822363 -0.5911352 -0.3316548 -0.2101387 -5.6961468 0.1042166 -0.0136265 0.4062883 -6.2107682 11 Ir -5.9822363 0.5911352 -0.3316548 0.2101387 -5.6961468 -0.1042166 -0.0136265 -0.4062883 -6.2107682 12 Ir -5.9822363 -0.5911352 -0.3316548 -0.2101387 -5.6961468 0.1042166 -0.0136265 0.4062883 -6.2107682 ---------------------------------------------------------------------------- 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:47:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:47:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.604437220007285 0.000000000000000 0.000000000000000 b 0.000000000000000 6.558551559999999 0.000000000000000 c -2.849624950232720 0.000000000000000 6.079159212739917 Atomic positions (fractional): 1 Sb 0.85048468057692 0.86512938322681 0.12022736382726 121.760 2 Sb 0.14951531942308 0.36512938322681 0.37977263617274 121.760 3 Sb 0.14951531942308 0.13487061677319 0.87977263617274 121.760 4 Sb 0.85048468057692 0.63487061677319 0.62022736382726 121.760 5 Sb 0.65549161057647 0.36206796126598 0.81993270006941 121.760 6 Sb 0.34450838942353 0.86206796126598 0.68006729993059 121.760 7 Sb 0.34450838942353 0.63793203873402 0.18006729993059 121.760 8 Sb 0.65549161057647 0.13793203873402 0.31993270006941 121.760 9 Ir 0.72812968494810 0.50156357835702 0.20761136277065 192.217 10 Ir 0.27187031505190 0.00156357835702 0.29238863722935 192.217 11 Ir 0.27187031505190 0.49843642164298 0.79238863722935 192.217 12 Ir 0.72812968494810 0.99843642164298 0.70761136277065 192.217 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.208874440014570 0.000000000000000 0.000000000000000 b 0.000000000000000 19.675654679999997 0.000000000000000 c -5.699249900465440 0.000000000000000 12.158318425479834 Atomic positions (fractional): 1 Sb 0.42524234028846 0.28837646107560 0.06011368191363 121.760 > 1 2 Sb 0.92524234028846 0.28837646107560 0.06011368191363 121.760 > 1 3 Sb 0.42524234028846 0.62170979440894 0.06011368191363 121.760 > 1 4 Sb 0.92524234028846 0.62170979440894 0.06011368191363 121.760 > 1 5 Sb 0.42524234028846 0.95504312774227 0.06011368191363 121.760 > 1 6 Sb 0.92524234028846 0.95504312774227 0.06011368191363 121.760 > 1 7 Sb 0.42524234028846 0.28837646107560 0.56011368191363 121.760 > 1 8 Sb 0.92524234028846 0.28837646107560 0.56011368191363 121.760 > 1 9 Sb 0.42524234028846 0.62170979440894 0.56011368191363 121.760 > 1 10 Sb 0.92524234028846 0.62170979440894 0.56011368191363 121.760 > 1 11 Sb 0.42524234028846 0.95504312774227 0.56011368191363 121.760 > 1 12 Sb 0.92524234028846 0.95504312774227 0.56011368191363 121.760 > 1 13 Sb 0.07475765971154 0.12170979440894 0.18988631808637 121.760 > 13 14 Sb 0.57475765971154 0.12170979440894 0.18988631808637 121.760 > 13 15 Sb 0.07475765971154 0.45504312774227 0.18988631808637 121.760 > 13 16 Sb 0.57475765971154 0.45504312774227 0.18988631808637 121.760 > 13 17 Sb 0.07475765971154 0.78837646107560 0.18988631808637 121.760 > 13 18 Sb 0.57475765971154 0.78837646107560 0.18988631808637 121.760 > 13 19 Sb 0.07475765971154 0.12170979440894 0.68988631808637 121.760 > 13 20 Sb 0.57475765971154 0.12170979440894 0.68988631808637 121.760 > 13 21 Sb 0.07475765971154 0.45504312774227 0.68988631808637 121.760 > 13 22 Sb 0.57475765971154 0.45504312774227 0.68988631808637 121.760 > 13 23 Sb 0.07475765971154 0.78837646107560 0.68988631808637 121.760 > 13 24 Sb 0.57475765971154 0.78837646107560 0.68988631808637 121.760 > 13 25 Sb 0.07475765971154 0.04495687225773 0.43988631808637 121.760 > 25 26 Sb 0.57475765971154 0.04495687225773 0.43988631808637 121.760 > 25 27 Sb 0.07475765971154 0.37829020559106 0.43988631808637 121.760 > 25 28 Sb 0.57475765971154 0.37829020559106 0.43988631808637 121.760 > 25 29 Sb 0.07475765971154 0.71162353892440 0.43988631808637 121.760 > 25 30 Sb 0.57475765971154 0.71162353892440 0.43988631808637 121.760 > 25 31 Sb 0.07475765971154 0.04495687225773 0.93988631808637 121.760 > 25 32 Sb 0.57475765971154 0.04495687225773 0.93988631808637 121.760 > 25 33 Sb 0.07475765971154 0.37829020559106 0.93988631808637 121.760 > 25 34 Sb 0.57475765971154 0.37829020559106 0.93988631808637 121.760 > 25 35 Sb 0.07475765971154 0.71162353892440 0.93988631808637 121.760 > 25 36 Sb 0.57475765971154 0.71162353892440 0.93988631808637 121.760 > 25 37 Sb 0.42524234028846 0.21162353892440 0.31011368191363 121.760 > 37 38 Sb 0.92524234028846 0.21162353892440 0.31011368191363 121.760 > 37 39 Sb 0.42524234028846 0.54495687225773 0.31011368191363 121.760 > 37 40 Sb 0.92524234028846 0.54495687225773 0.31011368191363 121.760 > 37 41 Sb 0.42524234028846 0.87829020559106 0.31011368191363 121.760 > 37 42 Sb 0.92524234028846 0.87829020559106 0.31011368191363 121.760 > 37 43 Sb 0.42524234028846 0.21162353892440 0.81011368191363 121.760 > 37 44 Sb 0.92524234028846 0.21162353892440 0.81011368191363 121.760 > 37 45 Sb 0.42524234028846 0.54495687225773 0.81011368191363 121.760 > 37 46 Sb 0.92524234028846 0.54495687225773 0.81011368191363 121.760 > 37 47 Sb 0.42524234028846 0.87829020559106 0.81011368191363 121.760 > 37 48 Sb 0.92524234028846 0.87829020559106 0.81011368191363 121.760 > 37 49 Sb 0.32774580528823 0.12068932042199 0.40996635003470 121.760 > 49 50 Sb 0.82774580528823 0.12068932042199 0.40996635003470 121.760 > 49 51 Sb 0.32774580528823 0.45402265375533 0.40996635003470 121.760 > 49 52 Sb 0.82774580528823 0.45402265375533 0.40996635003470 121.760 > 49 53 Sb 0.32774580528823 0.78735598708866 0.40996635003470 121.760 > 49 54 Sb 0.82774580528823 0.78735598708866 0.40996635003470 121.760 > 49 55 Sb 0.32774580528823 0.12068932042199 0.90996635003470 121.760 > 49 56 Sb 0.82774580528823 0.12068932042199 0.90996635003470 121.760 > 49 57 Sb 0.32774580528823 0.45402265375533 0.90996635003470 121.760 > 49 58 Sb 0.82774580528823 0.45402265375533 0.90996635003470 121.760 > 49 59 Sb 0.32774580528823 0.78735598708866 0.90996635003470 121.760 > 49 60 Sb 0.82774580528823 0.78735598708866 0.90996635003470 121.760 > 49 61 Sb 0.17225419471177 0.28735598708866 0.34003364996530 121.760 > 61 62 Sb 0.67225419471177 0.28735598708866 0.34003364996530 121.760 > 61 63 Sb 0.17225419471177 0.62068932042199 0.34003364996530 121.760 > 61 64 Sb 0.67225419471177 0.62068932042199 0.34003364996530 121.760 > 61 65 Sb 0.17225419471177 0.95402265375533 0.34003364996530 121.760 > 61 66 Sb 0.67225419471177 0.95402265375533 0.34003364996530 121.760 > 61 67 Sb 0.17225419471177 0.28735598708866 0.84003364996530 121.760 > 61 68 Sb 0.67225419471177 0.28735598708866 0.84003364996530 121.760 > 61 69 Sb 0.17225419471177 0.62068932042199 0.84003364996530 121.760 > 61 70 Sb 0.67225419471177 0.62068932042199 0.84003364996530 121.760 > 61 71 Sb 0.17225419471177 0.95402265375533 0.84003364996530 121.760 > 61 72 Sb 0.67225419471177 0.95402265375533 0.84003364996530 121.760 > 61 73 Sb 0.17225419471177 0.21264401291134 0.09003364996530 121.760 > 73 74 Sb 0.67225419471177 0.21264401291134 0.09003364996530 121.760 > 73 75 Sb 0.17225419471177 0.54597734624467 0.09003364996530 121.760 > 73 76 Sb 0.67225419471177 0.54597734624467 0.09003364996530 121.760 > 73 77 Sb 0.17225419471177 0.87931067957801 0.09003364996530 121.760 > 73 78 Sb 0.67225419471177 0.87931067957801 0.09003364996530 121.760 > 73 79 Sb 0.17225419471177 0.21264401291134 0.59003364996530 121.760 > 73 80 Sb 0.67225419471177 0.21264401291134 0.59003364996530 121.760 > 73 81 Sb 0.17225419471177 0.54597734624467 0.59003364996530 121.760 > 73 82 Sb 0.67225419471177 0.54597734624467 0.59003364996530 121.760 > 73 83 Sb 0.17225419471177 0.87931067957801 0.59003364996530 121.760 > 73 84 Sb 0.67225419471177 0.87931067957801 0.59003364996530 121.760 > 73 85 Sb 0.32774580528823 0.04597734624467 0.15996635003470 121.760 > 85 86 Sb 0.82774580528823 0.04597734624467 0.15996635003470 121.760 > 85 87 Sb 0.32774580528823 0.37931067957801 0.15996635003470 121.760 > 85 88 Sb 0.82774580528823 0.37931067957801 0.15996635003470 121.760 > 85 89 Sb 0.32774580528823 0.71264401291134 0.15996635003470 121.760 > 85 90 Sb 0.82774580528823 0.71264401291134 0.15996635003470 121.760 > 85 91 Sb 0.32774580528823 0.04597734624467 0.65996635003470 121.760 > 85 92 Sb 0.82774580528823 0.04597734624467 0.65996635003470 121.760 > 85 93 Sb 0.32774580528823 0.37931067957801 0.65996635003470 121.760 > 85 94 Sb 0.82774580528823 0.37931067957801 0.65996635003470 121.760 > 85 95 Sb 0.32774580528823 0.71264401291134 0.65996635003470 121.760 > 85 96 Sb 0.82774580528823 0.71264401291134 0.65996635003470 121.760 > 85 97 Ir 0.36406484247405 0.16718785945234 0.10380568138533 192.217 > 97 98 Ir 0.86406484247405 0.16718785945234 0.10380568138533 192.217 > 97 99 Ir 0.36406484247405 0.50052119278567 0.10380568138533 192.217 > 97 100 Ir 0.86406484247405 0.50052119278567 0.10380568138533 192.217 > 97 101 Ir 0.36406484247405 0.83385452611901 0.10380568138533 192.217 > 97 102 Ir 0.86406484247405 0.83385452611901 0.10380568138533 192.217 > 97 103 Ir 0.36406484247405 0.16718785945234 0.60380568138532 192.217 > 97 104 Ir 0.86406484247405 0.16718785945234 0.60380568138532 192.217 > 97 105 Ir 0.36406484247405 0.50052119278567 0.60380568138532 192.217 > 97 106 Ir 0.86406484247405 0.50052119278567 0.60380568138532 192.217 > 97 107 Ir 0.36406484247405 0.83385452611901 0.60380568138532 192.217 > 97 108 Ir 0.86406484247405 0.83385452611901 0.60380568138532 192.217 > 97 109 Ir 0.13593515752595 0.00052119278567 0.14619431861467 192.217 > 109 110 Ir 0.63593515752595 0.00052119278567 0.14619431861467 192.217 > 109 111 Ir 0.13593515752595 0.33385452611901 0.14619431861467 192.217 > 109 112 Ir 0.63593515752595 0.33385452611901 0.14619431861467 192.217 > 109 113 Ir 0.13593515752595 0.66718785945234 0.14619431861467 192.217 > 109 114 Ir 0.63593515752595 0.66718785945234 0.14619431861467 192.217 > 109 115 Ir 0.13593515752595 0.00052119278567 0.64619431861468 192.217 > 109 116 Ir 0.63593515752595 0.00052119278567 0.64619431861468 192.217 > 109 117 Ir 0.13593515752595 0.33385452611901 0.64619431861468 192.217 > 109 118 Ir 0.63593515752595 0.33385452611901 0.64619431861468 192.217 > 109 119 Ir 0.13593515752595 0.66718785945234 0.64619431861468 192.217 > 109 120 Ir 0.63593515752595 0.66718785945234 0.64619431861468 192.217 > 109 121 Ir 0.13593515752595 0.16614547388099 0.39619431861468 192.217 > 121 122 Ir 0.63593515752595 0.16614547388099 0.39619431861468 192.217 > 121 123 Ir 0.13593515752595 0.49947880721433 0.39619431861468 192.217 > 121 124 Ir 0.63593515752595 0.49947880721433 0.39619431861468 192.217 > 121 125 Ir 0.13593515752595 0.83281214054766 0.39619431861468 192.217 > 121 126 Ir 0.63593515752595 0.83281214054766 0.39619431861468 192.217 > 121 127 Ir 0.13593515752595 0.16614547388099 0.89619431861468 192.217 > 121 128 Ir 0.63593515752595 0.16614547388099 0.89619431861468 192.217 > 121 129 Ir 0.13593515752595 0.49947880721433 0.89619431861468 192.217 > 121 130 Ir 0.63593515752595 0.49947880721433 0.89619431861468 192.217 > 121 131 Ir 0.13593515752595 0.83281214054766 0.89619431861468 192.217 > 121 132 Ir 0.63593515752595 0.83281214054766 0.89619431861468 192.217 > 121 133 Ir 0.36406484247405 0.33281214054766 0.35380568138532 192.217 > 133 134 Ir 0.86406484247405 0.33281214054766 0.35380568138532 192.217 > 133 135 Ir 0.36406484247405 0.66614547388099 0.35380568138532 192.217 > 133 136 Ir 0.86406484247405 0.66614547388099 0.35380568138532 192.217 > 133 137 Ir 0.36406484247405 0.99947880721433 0.35380568138532 192.217 > 133 138 Ir 0.86406484247405 0.99947880721433 0.35380568138532 192.217 > 133 139 Ir 0.36406484247405 0.33281214054766 0.85380568138532 192.217 > 133 140 Ir 0.86406484247405 0.33281214054766 0.85380568138532 192.217 > 133 141 Ir 0.36406484247405 0.66614547388099 0.85380568138532 192.217 > 133 142 Ir 0.86406484247405 0.66614547388099 0.85380568138532 192.217 > 133 143 Ir 0.36406484247405 0.99947880721433 0.85380568138532 192.217 > 133 144 Ir 0.86406484247405 0.99947880721433 0.85380568138532 192.217 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 22.1553976 0.0000000 -0.9718168 0.0000000 24.9647145 0.0000000 -0.9718169 0.0000000 23.1852036 -------------------------- Born effective charges -------------------------- 1 Sb 2.6180051 -0.0855491 0.5198992 -0.4771114 2.8378791 0.4226815 -0.0365865 0.0816813 3.2209215 2 Sb 2.6180051 0.0855491 0.5198992 0.4771114 2.8378791 -0.4226815 -0.0365865 -0.0816813 3.2209215 3 Sb 2.6180051 -0.0855491 0.5198992 -0.4771114 2.8378791 0.4226815 -0.0365865 0.0816813 3.2209215 4 Sb 2.6180051 0.0855491 0.5198992 0.4771114 2.8378791 -0.4226815 -0.0365865 -0.0816813 3.2209215 5 Sb 3.3642312 0.1503808 -0.1882444 0.0238358 2.8582677 -0.1295205 0.0502131 0.1498280 2.9898467 6 Sb 3.3642312 -0.1503808 -0.1882444 -0.0238358 2.8582677 0.1295205 0.0502131 -0.1498280 2.9898467 7 Sb 3.3642312 0.1503808 -0.1882444 0.0238358 2.8582677 -0.1295205 0.0502131 0.1498280 2.9898467 8 Sb 3.3642312 -0.1503808 -0.1882444 -0.0238358 2.8582677 0.1295205 0.0502131 -0.1498280 2.9898467 9 Ir -5.9822363 0.5911352 -0.3316548 0.2101387 -5.6961468 -0.1042166 -0.0136265 -0.4062883 -6.2107682 10 Ir -5.9822363 -0.5911352 -0.3316548 -0.2101387 -5.6961468 0.1042166 -0.0136265 0.4062883 -6.2107682 11 Ir -5.9822363 0.5911352 -0.3316548 0.2101387 -5.6961468 -0.1042166 -0.0136265 -0.4062883 -6.2107682 12 Ir -5.9822363 -0.5911352 -0.3316548 -0.2101387 -5.6961468 0.1042166 -0.0136265 0.4062883 -6.2107682 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.65, Number of G-points: 303, Lambda: 0.33 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/170) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.128 ( 0.000 0.000 0.000) 0.000 2.176 ( 0.000 0.000 0.000) 0.000 2.642 ( 0.000 0.000 0.000) 0.000 2.772 ( 0.000 0.000 0.000) 0.000 2.783 ( 0.000 0.000 0.000) 0.000 2.971 ( 0.000 0.000 0.000) 0.000 3.650 ( 0.000 0.000 0.000) 0.000 3.732 ( 0.000 0.000 0.000) 0.000 3.832 ( 0.000 0.000 0.000) 0.000 3.940 ( 0.000 0.000 0.000) 0.000 4.050 ( 0.000 0.000 0.000) 0.000 4.245 ( 0.000 0.000 0.000) 0.000 4.596 ( 0.000 0.000 0.000) 0.000 4.675 ( 0.000 0.000 0.000) 0.000 4.850 ( 0.000 0.000 0.000) 0.000 4.856 ( 0.000 0.000 0.000) 0.000 4.941 ( 0.000 0.000 0.000) 0.000 5.139 ( 0.000 0.000 0.000) 0.000 5.159 ( 0.000 0.000 0.000) 0.000 5.231 ( 0.000 0.000 0.000) 0.000 5.504 ( 0.000 0.000 0.000) 0.000 5.571 ( 0.000 0.000 0.000) 0.000 5.591 ( 0.000 0.000 0.000) 0.000 5.601 ( 0.000 0.000 0.000) 0.000 5.640 ( 0.000 0.000 0.000) 0.000 5.655 ( 0.000 0.000 0.000) 0.000 5.661 ( 0.000 0.000 0.000) 0.000 5.975 ( 0.000 0.000 0.000) 0.000 6.095 ( 0.000 0.000 0.000) 0.000 6.543 ( 0.000 0.000 0.000) 0.000 6.758 ( 0.000 0.000 0.000) 0.000 6.828 ( 0.000 0.000 0.000) 0.000 7.059 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/170) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( 17.818 0.000 12.151) 21.566 0.525 ( 26.531 0.000 1.480) 26.572 0.957 ( 40.825 0.000 17.548) 44.437 2.125 ( 0.354 0.000 -1.877) 1.910 2.202 ( 3.416 0.000 -2.414) 4.182 2.624 ( 0.876 0.000 -3.122) 3.243 2.797 ( 2.538 0.000 -1.899) 3.170 2.880 ( 6.600 0.000 7.385) 9.905 2.985 ( 1.440 0.000 0.361) 1.484 3.627 ( -2.549 0.000 -6.655) 7.126 3.745 ( -0.997 0.000 1.558) 1.850 3.802 ( -3.758 0.000 0.157) 3.762 3.935 ( 0.636 0.000 -2.018) 2.116 4.050 ( -0.144 0.000 1.140) 1.149 4.267 ( 0.982 0.000 1.431) 1.736 4.605 ( -0.729 0.000 -3.109) 3.193 4.655 ( -1.888 0.000 2.203) 2.901 4.693 ( -8.393 0.000 -3.940) 9.272 4.888 ( -0.121 0.000 0.859) 0.867 4.937 ( -0.924 0.000 0.985) 1.350 5.217 ( -1.042 0.000 0.693) 1.252 5.256 ( 6.079 0.000 3.087) 6.818 5.380 ( -0.087 0.000 6.172) 6.173 5.519 ( -3.885 0.000 -0.708) 3.949 5.550 ( -1.422 0.000 0.630) 1.555 5.632 ( 3.113 0.000 1.016) 3.274 5.644 ( -0.371 0.000 -1.135) 1.194 5.682 ( 5.337 0.000 -2.751) 6.004 5.689 ( 1.511 0.000 1.855) 2.393 5.971 ( -0.450 0.000 0.036) 0.451 6.092 ( 0.263 0.000 -1.377) 1.402 6.138 ( -13.991 0.000 23.946) 27.733 6.551 ( 0.242 0.000 0.981) 1.010 6.838 ( 0.613 0.000 0.925) 1.110 6.844 ( 6.980 0.000 -16.105) 17.552 7.049 ( -0.566 0.000 -1.121) 1.255 ======================= Grid point 2 (3/170) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 16.086 0.000 11.515) 19.782 1.021 ( 24.200 0.000 1.488) 24.245 1.789 ( 25.849 0.000 12.750) 28.823 2.138 ( 8.419 0.000 -1.024) 8.481 2.209 ( -2.429 0.000 -1.481) 2.845 2.673 ( 8.230 0.000 -3.173) 8.820 2.855 ( 6.009 0.000 -2.760) 6.613 3.027 ( 3.053 0.000 1.089) 3.242 3.113 ( 9.212 0.000 7.246) 11.720 3.497 ( -6.676 0.000 -2.428) 7.103 3.693 ( -6.850 0.000 -0.507) 6.869 3.699 ( -4.224 0.000 -1.201) 4.392 3.940 ( 1.946 0.000 -1.916) 2.731 4.055 ( -1.616 0.000 1.803) 2.421 4.247 ( -5.000 0.000 -2.285) 5.498 4.496 ( -6.759 0.000 -3.864) 7.785 4.562 ( -1.450 0.000 2.069) 2.526 4.676 ( -2.130 0.000 9.757) 9.986 4.892 ( 0.046 0.000 0.539) 0.541 4.922 ( -0.641 0.000 -1.238) 1.394 5.220 ( 1.130 0.000 -0.117) 1.136 5.359 ( 0.213 0.000 -1.773) 1.786 5.432 ( 0.753 0.000 2.336) 2.454 5.447 ( -0.892 0.000 2.394) 2.555 5.514 ( -1.704 0.000 -0.908) 1.931 5.631 ( -0.677 0.000 0.403) 0.788 5.717 ( 4.078 0.000 1.801) 4.458 5.742 ( 1.955 0.000 2.795) 3.411 5.774 ( 7.049 0.000 -3.911) 8.062 5.958 ( -0.819 0.000 -0.041) 0.820 6.076 ( -8.503 0.000 10.802) 13.747 6.078 ( -0.091 0.000 -2.435) 2.437 6.564 ( 0.045 0.000 1.183) 1.184 6.830 ( 2.285 0.000 -6.745) 7.122 6.864 ( 0.862 0.000 1.700) 1.906 7.021 ( -0.801 0.000 -1.978) 2.134 ======================= Grid point 3 (4/170) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 12.787 0.000 9.687) 16.042 1.458 ( 20.386 0.000 1.445) 20.438 1.880 ( -5.298 0.000 -4.313) 6.831 2.073 ( -10.160 0.000 -1.238) 10.236 2.681 ( 28.903 0.000 11.579) 31.136 2.852 ( 10.585 0.000 -0.957) 10.628 2.973 ( 8.456 0.000 -2.399) 8.790 3.110 ( 4.593 0.000 1.162) 4.738 3.302 ( 3.507 0.000 2.339) 4.215 3.340 ( -8.400 0.000 -0.063) 8.401 3.555 ( -8.449 0.000 -5.527) 10.097 3.587 ( -2.545 0.000 1.740) 3.083 3.969 ( 2.199 0.000 -0.824) 2.348 4.004 ( -4.701 0.000 1.027) 4.812 4.065 ( -8.048 0.000 -4.826) 9.384 4.308 ( -8.818 0.000 -2.884) 9.278 4.662 ( 5.096 0.000 7.084) 8.726 4.734 ( -2.463 0.000 12.378) 12.620 4.891 ( 0.666 0.000 -5.488) 5.529 4.896 ( 0.432 0.000 -1.511) 1.572 5.248 ( -5.680 0.000 -3.352) 6.595 5.255 ( 2.830 0.000 -0.606) 2.894 5.402 ( -3.577 0.000 -0.856) 3.678 5.515 ( 2.406 0.000 2.398) 3.397 5.521 ( 2.072 0.000 -0.049) 2.072 5.621 ( -1.254 0.000 1.395) 1.876 5.789 ( 1.841 0.000 2.316) 2.959 5.816 ( 2.900 0.000 1.260) 3.162 5.865 ( 5.907 0.000 -3.882) 7.068 5.945 ( -0.477 0.000 0.748) 0.887 6.017 ( -5.595 0.000 6.121) 8.293 6.042 ( -1.049 0.000 -3.041) 3.216 6.572 ( -0.102 0.000 0.770) 0.777 6.814 ( 0.654 0.000 -2.852) 2.926 6.899 ( 0.858 0.000 2.176) 2.339 6.986 ( -0.790 0.000 -2.360) 2.488 ======================= Grid point 4 (5/170) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 0.000 0.000 0.000) 0.000 1.758 ( 0.000 0.000 -0.000) 0.000 1.790 ( -0.000 0.000 -0.000) 0.000 1.838 ( 0.000 0.000 0.000) 0.000 2.968 ( 0.000 0.000 0.000) 0.000 3.080 ( 0.000 0.000 -0.000) 0.000 3.185 ( 0.000 0.000 0.000) 0.000 3.199 ( -0.000 0.000 -0.000) 0.000 3.232 ( -0.000 0.000 -0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 3.295 ( 0.000 0.000 0.000) 0.000 3.613 ( -0.000 0.000 0.000) 0.000 3.946 ( 0.000 0.000 -0.000) 0.000 3.949 ( -0.000 0.000 0.000) 0.000 3.995 ( 0.000 0.000 0.000) 0.000 4.188 ( 0.000 0.000 0.000) 0.000 4.777 ( 0.000 0.000 0.000) 0.000 4.783 ( 0.000 0.000 0.000) 0.000 4.864 ( 0.000 0.000 0.000) 0.000 4.874 ( 0.000 0.000 0.000) 0.000 5.162 ( 0.000 0.000 -0.000) 0.000 5.301 ( -0.000 0.000 0.000) 0.000 5.339 ( 0.000 0.000 -0.000) 0.000 5.546 ( 0.000 0.000 0.000) 0.000 5.550 ( 0.000 0.000 0.000) 0.000 5.612 ( 0.000 0.000 0.000) 0.000 5.832 ( -0.000 0.000 -0.000) 0.000 5.835 ( 0.000 0.000 0.000) 0.000 5.913 ( 0.000 0.000 0.000) 0.000 5.962 ( -0.000 0.000 -0.000) 0.000 5.983 ( 0.000 0.000 0.000) 0.000 6.000 ( 0.000 0.000 0.000) 0.000 6.574 ( 0.000 0.000 0.000) 0.000 6.807 ( 0.000 0.000 0.000) 0.000 6.925 ( 0.000 0.000 -0.000) 0.000 6.959 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/170) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( 0.000 22.358 0.000) 22.358 0.610 ( 0.000 31.476 0.000) 31.476 0.980 ( 0.000 50.017 0.000) 50.017 2.182 ( 0.000 5.521 0.000) 5.521 2.232 ( 0.000 5.843 0.000) 5.843 2.680 ( 0.000 -8.783 0.000) 8.783 2.690 ( 0.000 4.884 0.000) 4.884 2.831 ( 0.000 4.465 0.000) 4.465 3.096 ( 0.000 -6.488 0.000) 6.488 3.656 ( 0.000 0.592 0.000) 0.592 3.724 ( 0.000 -2.067 0.000) 2.067 3.777 ( 0.000 -5.820 0.000) 5.820 3.917 ( 0.000 -1.010 0.000) 1.010 4.045 ( 0.000 -0.435 0.000) 0.435 4.264 ( 0.000 -4.851 0.000) 4.851 4.541 ( 0.000 -6.198 0.000) 6.198 4.613 ( 0.000 -6.961 0.000) 6.961 4.687 ( 0.000 -10.927 0.000) 10.927 4.881 ( 0.000 -0.043 0.000) 0.043 5.081 ( 0.000 8.236 0.000) 8.236 5.135 ( 0.000 -0.472 0.000) 0.472 5.165 ( 0.000 -0.784 0.000) 0.784 5.364 ( 0.000 6.127 0.000) 6.127 5.497 ( 0.000 -0.754 0.000) 0.754 5.553 ( 0.000 -0.209 0.000) 0.209 5.572 ( 0.000 -0.557 0.000) 0.557 5.665 ( 0.000 4.989 0.000) 4.989 5.675 ( 0.000 2.888 0.000) 2.888 5.722 ( 0.000 5.734 0.000) 5.734 5.837 ( 0.000 3.466 0.000) 3.466 5.968 ( 0.000 -0.664 0.000) 0.664 6.097 ( 0.000 0.261 0.000) 0.261 6.544 ( 0.000 0.210 0.000) 0.210 6.748 ( 0.000 -1.051 0.000) 1.051 7.051 ( 0.000 -0.912 0.000) 0.912 7.079 ( 0.000 -0.929 0.000) 0.929 ======================= Grid point 10 (7/170) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 7.507 22.474 13.474) 27.258 0.837 ( 18.821 18.677 10.342) 28.461 1.290 ( 28.983 33.803 3.713) 44.682 2.176 ( 0.235 5.449 -1.529) 5.664 2.256 ( 3.595 5.468 -3.125) 7.252 2.642 ( -0.403 0.518 -1.732) 1.853 2.820 ( 6.734 -4.585 6.354) 10.331 2.847 ( 3.516 4.875 -1.996) 6.333 3.015 ( -2.451 -0.794 -1.001) 2.764 3.611 ( -3.345 -1.196 -3.485) 4.976 3.687 ( -4.936 -6.063 1.223) 7.914 3.790 ( 0.991 -1.543 -1.172) 2.176 3.923 ( 1.288 -0.504 -1.517) 2.053 4.045 ( -0.549 -0.654 0.970) 1.292 4.232 ( -1.261 -3.670 2.908) 4.849 4.494 ( -7.706 -9.486 2.044) 12.391 4.574 ( 0.888 -8.444 -3.491) 9.180 4.653 ( -0.938 -3.916 -2.673) 4.833 4.856 ( -1.884 0.388 1.753) 2.602 5.049 ( -1.810 6.551 1.123) 6.888 5.181 ( 2.853 0.408 0.596) 2.943 5.322 ( 0.479 -2.504 7.740) 8.149 5.381 ( 3.301 4.943 1.921) 6.247 5.506 ( -3.042 -0.058 -0.799) 3.145 5.560 ( 2.333 -3.813 1.146) 4.615 5.591 ( -0.287 1.107 -0.953) 1.489 5.653 ( 0.998 2.807 0.309) 2.996 5.734 ( 1.839 3.180 0.794) 3.758 5.753 ( 3.343 5.084 0.133) 6.086 5.923 ( -0.999 -3.714 9.048) 9.832 6.001 ( 3.726 -2.574 1.626) 4.811 6.098 ( 0.651 0.344 -1.280) 1.476 6.543 ( 0.139 -0.009 -0.065) 0.154 6.763 ( 2.325 -1.856 -2.077) 3.628 6.991 ( -3.828 3.531 -3.438) 6.240 7.041 ( -0.498 -0.664 -1.565) 1.771 ======================= Grid point 11 (8/170) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 11.486 14.498 13.178) 22.711 1.257 ( 19.080 17.997 3.565) 26.470 1.913 ( 19.312 12.893 7.459) 24.389 2.210 ( 11.882 8.160 -0.201) 14.416 2.270 ( -1.402 6.191 -1.643) 6.557 2.663 ( 5.378 -0.639 -1.881) 5.733 2.909 ( 6.288 3.651 -1.628) 7.451 3.008 ( 2.329 -2.281 1.465) 3.573 3.064 ( 10.209 -3.474 4.366) 11.635 3.490 ( -6.278 -1.034 -2.038) 6.681 3.565 ( -7.874 -7.311 -0.570) 10.760 3.766 ( -1.674 1.015 -2.798) 3.415 3.935 ( 1.128 -0.934 -1.149) 1.861 4.036 ( -1.905 -1.821 1.398) 2.983 4.213 ( -6.126 -3.504 0.213) 7.061 4.393 ( -3.661 -8.339 6.046) 10.931 4.491 ( -2.690 -6.764 -8.394) 11.111 4.683 ( 0.691 -0.771 8.254) 8.319 4.835 ( -1.985 -0.890 1.932) 2.909 5.036 ( -0.317 6.415 -0.390) 6.435 5.221 ( 1.579 0.477 0.066) 1.650 5.372 ( -0.638 1.059 -0.761) 1.452 5.430 ( -1.671 -0.418 1.255) 2.131 5.473 ( 2.415 2.066 2.852) 4.271 5.534 ( -2.610 0.744 -2.109) 3.437 5.608 ( 0.904 -0.621 1.797) 2.105 5.711 ( 4.065 0.544 0.061) 4.102 5.775 ( 1.552 2.732 1.870) 3.657 5.824 ( 4.130 4.027 -0.676) 5.808 5.937 ( -1.511 -1.562 2.712) 3.475 6.048 ( -1.910 -1.205 3.925) 4.528 6.095 ( -0.240 0.882 -0.964) 1.328 6.551 ( 0.439 -0.674 0.441) 0.917 6.787 ( 2.189 -2.341 -2.800) 4.255 6.921 ( -1.716 2.748 -0.420) 3.267 7.012 ( -0.808 -0.905 -2.126) 2.448 ======================= Grid point 12 (9/170) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 10.884 9.440 11.096) 18.185 1.624 ( 17.320 14.479 1.239) 22.609 1.939 ( -5.045 6.356 -5.353) 9.721 2.157 ( -9.084 8.252 -0.486) 12.282 2.742 ( 25.367 5.809 9.473) 27.694 2.802 ( 9.617 -2.610 -0.344) 9.971 3.042 ( 7.473 4.030 -0.253) 8.494 3.085 ( 4.863 -2.283 1.734) 5.646 3.263 ( 5.095 -2.844 0.767) 5.885 3.356 ( -6.466 1.236 -0.159) 6.585 3.403 ( -6.068 -9.155 -2.265) 11.214 3.686 ( -3.236 3.287 -4.636) 6.540 3.931 ( -1.758 -4.526 0.122) 4.857 3.994 ( -2.871 -0.136 0.758) 2.972 4.055 ( -7.226 -1.819 -0.215) 7.454 4.262 ( -8.460 -4.127 -5.337) 10.821 4.516 ( 2.557 -9.363 6.241) 11.539 4.795 ( 2.177 1.778 10.082) 10.467 4.823 ( -0.271 -1.315 0.470) 1.423 5.018 ( 0.235 6.217 -4.523) 7.692 5.234 ( -2.062 -0.460 -1.501) 2.592 5.288 ( -1.002 2.315 -1.837) 3.120 5.418 ( -2.995 1.268 -0.299) 3.266 5.504 ( 1.157 -1.552 0.165) 1.943 5.539 ( 1.867 1.721 1.822) 3.125 5.633 ( 0.266 1.411 1.462) 2.049 5.780 ( 2.822 -0.546 -0.102) 2.876 5.826 ( 1.679 1.166 1.572) 2.578 5.888 ( 2.691 2.134 0.136) 3.437 5.934 ( 0.165 -0.223 0.665) 0.721 6.024 ( -2.896 0.823 1.845) 3.531 6.070 ( -1.110 2.060 -1.156) 2.610 6.562 ( 0.165 -0.724 0.499) 0.895 6.793 ( 0.842 -1.906 -2.090) 2.951 6.912 ( -0.161 0.850 1.913) 2.099 6.976 ( -0.751 -0.979 -2.484) 2.774 ======================= Grid point 13 (10/170) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 0.000 7.663 0.000) 7.663 1.815 ( 0.000 6.735 -0.000) 6.735 1.908 ( -0.000 10.888 0.000) 10.888 1.954 ( 0.000 10.864 0.000) 10.864 2.902 ( 0.000 -4.204 0.000) 4.204 3.127 ( -0.000 -3.910 0.000) 3.910 3.148 ( -0.000 1.782 -0.000) 1.782 3.171 ( -0.000 -4.270 -0.000) 4.270 3.206 ( 0.000 0.091 0.000) 0.091 3.300 ( -0.000 3.019 -0.000) 3.019 3.338 ( 0.000 4.232 0.000) 4.232 3.602 ( 0.000 -2.395 0.000) 2.395 3.911 ( 0.000 -3.022 -0.000) 3.022 3.931 ( 0.000 0.905 0.000) 0.905 4.020 ( 0.000 0.050 0.000) 0.050 4.123 ( 0.000 -6.730 0.000) 6.730 4.577 ( 0.000 -9.727 0.000) 9.727 4.820 ( 0.000 -1.242 0.000) 1.242 4.933 ( 0.000 5.362 0.000) 5.362 4.942 ( -0.000 3.357 -0.000) 3.357 5.173 ( -0.000 1.172 -0.000) 1.172 5.303 ( 0.000 0.168 0.000) 0.168 5.370 ( 0.000 2.822 -0.000) 2.822 5.522 ( 0.000 -2.162 0.000) 2.162 5.567 ( 0.000 1.213 0.000) 1.213 5.643 ( 0.000 2.741 0.000) 2.741 5.811 ( 0.000 -1.842 0.000) 1.842 5.843 ( 0.000 0.994 -0.000) 0.994 5.920 ( 0.000 1.505 0.000) 1.505 5.953 ( 0.000 -0.589 0.000) 0.589 5.991 ( 0.000 1.911 -0.000) 1.911 6.049 ( 0.000 2.798 0.000) 2.798 6.566 ( 0.000 -0.654 0.000) 0.654 6.790 ( 0.000 -1.662 0.000) 1.662 6.932 ( -0.000 0.450 -0.000) 0.450 6.947 ( 0.000 -1.275 0.000) 1.275 ======================= Grid point 18 (11/170) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 0.000 22.622 0.000) 22.622 1.191 ( 0.000 29.332 0.000) 29.332 1.875 ( 0.000 42.544 0.000) 42.544 2.306 ( 0.000 2.779 0.000) 2.779 2.391 ( 0.000 10.575 0.000) 10.575 2.488 ( 0.000 -5.970 0.000) 5.970 2.818 ( 0.000 8.026 0.000) 8.026 2.915 ( 0.000 -6.047 0.000) 6.047 2.946 ( 0.000 0.892 0.000) 0.892 3.613 ( 0.000 -9.873 0.000) 9.873 3.628 ( 0.000 -6.962 0.000) 6.962 3.678 ( 0.000 0.616 0.000) 0.616 3.934 ( 0.000 2.056 0.000) 2.056 4.037 ( 0.000 -0.491 0.000) 0.491 4.124 ( 0.000 -9.176 0.000) 9.176 4.356 ( 0.000 -12.303 0.000) 12.303 4.426 ( 0.000 -11.522 0.000) 11.522 4.466 ( 0.000 -12.924 0.000) 12.924 4.912 ( 0.000 3.042 0.000) 3.042 5.119 ( 0.000 -1.124 0.000) 1.124 5.193 ( 0.000 3.186 0.000) 3.186 5.226 ( 0.000 6.809 0.000) 6.809 5.453 ( 0.000 3.026 0.000) 3.026 5.478 ( 0.000 -1.204 0.000) 1.204 5.568 ( 0.000 1.484 0.000) 1.484 5.583 ( 0.000 1.544 0.000) 1.544 5.745 ( 0.000 3.842 0.000) 3.842 5.771 ( 0.000 5.746 0.000) 5.746 5.838 ( 0.000 6.001 0.000) 6.001 5.919 ( 0.000 4.792 0.000) 4.792 5.950 ( 0.000 -1.199 0.000) 1.199 6.105 ( 0.000 0.428 0.000) 0.428 6.554 ( 0.000 0.987 0.000) 0.987 6.720 ( 0.000 -1.774 0.000) 1.774 7.026 ( 0.000 -1.578 0.000) 1.578 7.052 ( 0.000 -1.784 0.000) 1.784 ======================= Grid point 19 (12/170) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 12.984 18.516 12.942) 26.056 1.268 ( 5.998 26.081 7.066) 27.679 2.008 ( 13.112 36.204 -0.064) 38.505 2.331 ( 2.235 9.631 -0.604) 9.905 2.374 ( 2.461 4.133 -2.291) 5.328 2.569 ( 3.613 -3.277 2.236) 5.365 2.832 ( 1.564 5.463 1.016) 5.773 2.912 ( 0.241 -7.414 0.140) 7.419 2.965 ( 3.926 5.089 -2.355) 6.846 3.514 ( -7.454 -9.095 1.694) 11.881 3.612 ( -2.614 -1.795 -2.052) 3.778 3.717 ( 4.242 -4.758 -4.548) 7.831 3.931 ( -1.449 -0.010 0.292) 1.479 4.017 ( -1.625 -2.322 0.402) 2.862 4.140 ( 0.549 -5.066 3.801) 6.357 4.292 ( -10.347 -11.041 4.495) 15.785 4.369 ( 2.496 -11.968 -4.114) 12.899 4.519 ( 3.480 -10.483 -1.253) 11.116 4.903 ( -1.907 3.981 1.804) 4.768 5.153 ( -1.952 4.450 2.449) 5.442 5.190 ( 0.783 -1.352 4.777) 5.026 5.298 ( 4.786 2.466 0.790) 5.441 5.462 ( -0.534 1.850 3.954) 4.398 5.504 ( 2.399 -1.651 -1.220) 3.158 5.525 ( -2.326 2.045 -2.495) 3.977 5.602 ( 0.744 0.670 0.179) 1.017 5.740 ( -0.234 4.803 0.512) 4.836 5.796 ( 1.385 4.063 1.376) 4.508 5.861 ( 2.134 5.573 0.163) 5.970 5.923 ( -1.558 1.578 3.863) 4.454 5.986 ( 4.142 0.505 -1.709) 4.509 6.107 ( 0.849 0.547 -1.230) 1.591 6.552 ( -0.073 1.064 -0.128) 1.075 6.729 ( 1.168 -1.957 -0.857) 2.435 7.002 ( -2.651 -1.157 -0.257) 2.904 7.026 ( -1.055 -1.165 -1.890) 2.458 ======================= Grid point 20 (13/170) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 6.633 21.517 11.723) 25.385 1.582 ( 15.685 16.154 8.389) 24.028 2.200 ( 1.631 14.346 -1.612) 14.528 2.426 ( 2.116 9.136 -1.571) 9.508 2.491 ( 18.084 20.001 2.325) 27.065 2.629 ( 2.200 -3.669 3.286) 5.395 2.899 ( 5.210 -0.973 0.779) 5.357 2.944 ( 2.798 -4.934 0.441) 5.690 3.085 ( 9.964 4.243 -1.944) 11.003 3.380 ( -6.732 -8.228 -0.860) 10.666 3.512 ( -6.240 0.167 -0.969) 6.317 3.729 ( 2.480 -4.048 -6.474) 8.028 3.875 ( -4.172 -5.635 0.866) 7.064 4.000 ( -2.093 -2.866 0.731) 3.623 4.100 ( -7.595 -7.264 2.570) 10.819 4.265 ( 2.472 -6.157 4.984) 8.298 4.339 ( -1.223 -6.602 -5.470) 8.661 4.611 ( 4.243 -7.247 6.150) 10.409 4.869 ( -3.399 4.256 2.488) 5.988 5.142 ( -0.967 4.878 1.369) 5.158 5.230 ( 0.390 -0.413 1.642) 1.738 5.380 ( 2.282 0.184 0.704) 2.396 5.435 ( -3.782 0.827 -1.571) 4.178 5.489 ( -0.828 -0.895 1.295) 1.779 5.532 ( 1.688 0.829 -0.256) 1.898 5.615 ( 1.011 0.264 0.155) 1.056 5.764 ( 1.858 4.274 1.294) 4.836 5.831 ( 0.687 3.482 2.055) 4.101 5.904 ( 0.760 3.346 1.679) 3.820 5.932 ( 0.894 1.595 0.691) 1.954 6.040 ( 1.258 0.415 0.757) 1.526 6.113 ( 0.980 0.892 -1.824) 2.255 6.553 ( 0.223 0.924 -0.051) 0.952 6.744 ( 1.393 -2.276 -1.510) 3.066 6.943 ( -2.814 -0.297 0.279) 2.843 6.989 ( -0.983 -1.489 -2.190) 2.825 ======================= Grid point 21 (14/170) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 7.012 17.723 10.835) 21.924 1.915 ( 13.683 14.771 3.022) 20.360 2.123 ( -3.816 12.554 -6.153) 14.492 2.363 ( -7.153 12.701 0.103) 14.577 2.749 ( 7.289 -2.448 0.528) 7.707 2.859 ( 10.639 0.139 7.336) 12.924 3.016 ( 3.422 -3.460 1.127) 4.995 3.094 ( 12.271 3.626 3.442) 13.250 3.211 ( 1.525 -7.541 -1.406) 7.822 3.285 ( 2.710 2.659 -3.046) 4.868 3.385 ( -5.257 1.684 -0.642) 5.557 3.685 ( -1.459 -2.994 -9.880) 10.427 3.821 ( -1.480 -5.984 3.722) 7.201 3.932 ( -4.237 -8.563 2.778) 9.950 4.025 ( -3.876 0.443 2.109) 4.435 4.164 ( -6.942 -6.611 -9.216) 13.298 4.404 ( 2.525 -0.865 6.921) 7.418 4.770 ( 5.119 -4.060 6.237) 9.033 4.841 ( -1.054 2.639 3.839) 4.776 5.118 ( -1.393 4.111 -4.530) 6.274 5.225 ( -2.202 -0.792 0.764) 2.462 5.328 ( -2.061 1.408 -2.196) 3.325 5.435 ( -0.719 0.190 1.277) 1.478 5.466 ( 0.080 -1.666 -0.628) 1.782 5.568 ( 1.226 1.167 1.072) 2.004 5.646 ( 1.510 -0.680 0.522) 1.737 5.813 ( 1.750 4.033 0.552) 4.431 5.859 ( 0.133 2.621 1.987) 3.292 5.921 ( 0.290 1.052 2.327) 2.570 5.967 ( 2.104 3.357 -0.916) 4.066 6.042 ( -1.261 1.035 0.378) 1.675 6.106 ( -0.200 1.467 -1.374) 2.019 6.558 ( 0.260 0.592 0.073) 0.650 6.751 ( 0.671 -2.364 -1.262) 2.762 6.913 ( -1.174 -0.949 1.396) 2.056 6.953 ( -0.689 -1.413 -2.162) 2.673 ======================= Grid point 22 (15/170) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 0.000 15.269 0.000) 15.269 2.001 ( 0.000 12.086 -0.000) 12.086 2.169 ( -0.000 15.554 0.000) 15.554 2.199 ( 0.000 13.746 0.000) 13.746 2.841 ( 0.000 -2.226 -0.000) 2.226 3.025 ( -0.000 -8.043 -0.000) 8.043 3.052 ( -0.000 -8.339 -0.000) 8.339 3.083 ( 0.000 -3.769 0.000) 3.769 3.303 ( 0.000 6.394 -0.000) 6.394 3.331 ( 0.000 -1.244 0.000) 1.244 3.432 ( -0.000 4.533 -0.000) 4.533 3.532 ( 0.000 -3.005 0.000) 3.005 3.864 ( 0.000 -1.552 0.000) 1.552 3.952 ( -0.000 -9.727 -0.000) 9.727 3.963 ( 0.000 -5.855 0.000) 5.855 3.983 ( 0.000 3.185 -0.000) 3.185 4.465 ( 0.000 -1.020 -0.000) 1.020 4.810 ( 0.000 -0.307 0.000) 0.307 4.977 ( 0.000 0.016 0.000) 0.016 4.988 ( -0.000 0.824 -0.000) 0.824 5.203 ( 0.000 1.811 -0.000) 1.811 5.304 ( 0.000 -0.210 0.000) 0.210 5.422 ( 0.000 2.078 -0.000) 2.078 5.475 ( 0.000 -2.468 0.000) 2.468 5.586 ( 0.000 0.818 0.000) 0.818 5.666 ( 0.000 -1.168 0.000) 1.168 5.832 ( 0.000 4.879 0.000) 4.879 5.866 ( 0.000 1.387 0.000) 1.387 5.956 ( -0.000 1.528 -0.000) 1.528 5.975 ( 0.000 2.529 0.000) 2.529 6.025 ( 0.000 1.841 0.000) 1.841 6.093 ( 0.000 1.687 0.000) 1.687 6.561 ( 0.000 0.461 0.000) 0.461 6.751 ( 0.000 -2.313 0.000) 2.313 6.913 ( 0.000 -2.103 -0.000) 2.103 6.932 ( 0.000 -0.624 0.000) 0.624 ======================= Grid point 27 (16/170) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 0.000 22.384 0.000) 22.384 1.720 ( 0.000 26.006 0.000) 26.006 2.078 ( 0.000 -18.068 0.000) 18.068 2.423 ( 0.000 3.967 0.000) 3.967 2.616 ( 0.000 12.325 0.000) 12.325 2.644 ( 0.000 7.689 0.000) 7.689 2.865 ( 0.000 20.672 0.000) 20.672 2.959 ( 0.000 4.757 0.000) 4.757 3.000 ( 0.000 -0.164 0.000) 0.164 3.422 ( 0.000 -7.927 0.000) 7.927 3.507 ( 0.000 -5.007 0.000) 5.007 3.674 ( 0.000 -3.154 0.000) 3.154 3.919 ( 0.000 -5.949 0.000) 5.949 4.003 ( 0.000 -5.292 0.000) 5.292 4.006 ( 0.000 0.368 0.000) 0.368 4.123 ( 0.000 -9.228 0.000) 9.228 4.203 ( 0.000 -12.769 0.000) 12.769 4.215 ( 0.000 -9.656 0.000) 9.656 4.979 ( 0.000 3.595 0.000) 3.595 5.090 ( 0.000 -2.000 0.000) 2.000 5.269 ( 0.000 4.441 0.000) 4.441 5.335 ( 0.000 4.162 0.000) 4.162 5.451 ( 0.000 -1.344 0.000) 1.344 5.480 ( 0.000 -0.046 0.000) 0.046 5.601 ( 0.000 1.737 0.000) 1.737 5.616 ( 0.000 1.425 0.000) 1.425 5.809 ( 0.000 2.914 0.000) 2.914 5.864 ( 0.000 2.929 0.000) 2.929 5.930 ( 0.000 -0.296 0.000) 0.296 5.932 ( 0.000 3.211 0.000) 3.211 6.008 ( 0.000 4.446 0.000) 4.446 6.107 ( 0.000 -0.439 0.000) 0.439 6.585 ( 0.000 2.237 0.000) 2.237 6.682 ( 0.000 -2.252 0.000) 2.252 6.997 ( 0.000 -1.221 0.000) 1.221 7.015 ( 0.000 -1.924 0.000) 1.924 ======================= Grid point 28 (17/170) ======================= q-point: ( 0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 11.054 19.233 9.863) 24.277 1.761 ( 2.380 24.793 4.434) 25.299 2.165 ( 6.139 -16.048 5.533) 18.051 2.446 ( 1.395 4.809 0.742) 5.062 2.582 ( -0.994 4.417 1.142) 4.669 2.711 ( 4.560 9.878 -3.326) 11.377 2.910 ( 3.794 15.854 -0.871) 16.325 2.949 ( 1.262 10.042 0.173) 10.122 3.028 ( 4.072 0.122 -3.103) 5.121 3.362 ( -5.658 -4.924 2.222) 7.823 3.518 ( 2.029 -6.649 -4.508) 8.286 3.675 ( -0.059 -2.162 -0.109) 2.165 3.863 ( -3.536 -4.692 -1.990) 6.203 3.979 ( -1.952 -4.166 -2.574) 5.272 4.046 ( 0.445 -4.731 0.840) 4.825 4.100 ( -4.150 -9.367 0.829) 10.278 4.173 ( 2.179 -5.580 5.557) 8.171 4.286 ( 4.597 -11.896 0.428) 12.760 4.988 ( -0.709 4.537 2.552) 5.254 5.134 ( 1.357 -3.183 4.679) 5.820 5.247 ( -2.860 4.830 3.024) 6.376 5.362 ( 2.343 2.164 -0.956) 3.330 5.450 ( -0.908 -0.807 2.040) 2.375 5.496 ( 1.425 -0.384 -0.791) 1.674 5.573 ( -1.053 2.458 -2.598) 3.728 5.616 ( -0.165 0.448 -0.260) 0.544 5.813 ( 0.339 3.012 0.311) 3.047 5.873 ( 0.457 2.444 1.130) 2.731 5.930 ( -0.386 0.869 1.151) 1.493 5.951 ( 1.576 2.678 0.279) 3.120 6.029 ( 2.051 3.366 -0.256) 3.950 6.112 ( 0.943 -0.313 -0.981) 1.396 6.585 ( 0.091 2.384 -0.113) 2.388 6.688 ( 0.719 -2.365 -0.401) 2.504 6.976 ( -1.971 -1.141 -0.381) 2.309 6.995 ( -1.298 -1.786 -1.133) 2.482 ======================= Grid point 29 (18/170) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 9.196 18.643 10.212) 23.161 1.911 ( 8.890 18.907 7.658) 22.252 2.382 ( 9.571 -12.096 7.979) 17.366 2.451 ( -1.020 10.955 -1.665) 11.128 2.621 ( 2.230 -6.280 4.296) 7.929 2.714 ( -1.372 7.943 -2.094) 8.328 2.920 ( 2.664 0.757 -5.534) 6.188 3.075 ( 2.765 -2.167 -2.706) 4.434 3.099 ( 9.924 19.826 1.769) 22.241 3.296 ( -0.709 -0.084 -0.309) 0.778 3.485 ( -2.874 -4.327 -1.658) 5.453 3.673 ( 1.250 -1.542 -1.731) 2.634 3.767 ( -3.760 -3.309 -3.770) 6.269 3.867 ( -7.802 -8.164 0.472) 11.302 4.009 ( -0.761 -4.868 -0.504) 4.953 4.100 ( 1.465 -8.941 -4.186) 9.981 4.294 ( 4.488 -0.096 6.979) 8.298 4.435 ( 7.521 -9.463 6.630) 13.786 4.975 ( -3.547 6.242 3.027) 7.792 5.184 ( -0.866 -4.038 3.995) 5.746 5.230 ( -1.554 4.442 2.337) 5.254 5.381 ( -0.741 -1.822 -0.114) 1.971 5.444 ( -0.521 1.220 -0.856) 1.579 5.481 ( -1.397 0.165 -1.943) 2.399 5.560 ( 1.277 1.700 0.020) 2.127 5.612 ( 0.437 -0.546 -0.381) 0.797 5.833 ( 1.193 2.786 1.109) 3.227 5.897 ( 0.743 1.101 1.615) 2.091 5.934 ( -0.522 2.799 1.856) 3.399 5.990 ( 2.148 2.454 0.343) 3.279 6.063 ( 1.120 1.894 -0.003) 2.200 6.122 ( 1.215 -0.117 -1.709) 2.100 6.587 ( 0.183 2.566 -0.216) 2.582 6.698 ( 0.841 -2.581 -0.775) 2.823 6.927 ( -2.499 -0.852 -0.241) 2.651 6.956 ( -1.455 -1.899 -1.510) 2.829 ======================= Grid point 30 (19/170) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 5.183 19.756 8.894) 22.277 2.183 ( 11.241 13.567 4.095) 18.088 2.381 ( -2.414 13.465 -4.503) 14.402 2.606 ( -3.981 9.785 0.484) 10.575 2.637 ( 6.250 -8.756 6.705) 12.676 2.747 ( 3.283 -9.503 6.661) 12.060 2.925 ( 3.401 -4.581 -7.847) 9.703 3.027 ( -3.234 -7.249 -2.333) 8.274 3.296 ( 3.309 9.025 4.007) 10.414 3.358 ( 6.194 3.837 -0.994) 7.354 3.399 ( -1.686 -0.932 -0.267) 1.945 3.627 ( -4.089 -1.588 -7.689) 8.853 3.723 ( -0.999 -6.206 6.293) 8.895 3.767 ( 0.955 -4.040 -3.361) 5.342 3.998 ( 0.152 -4.099 -3.101) 5.142 4.057 ( -2.231 -3.149 -2.657) 4.685 4.446 ( 4.238 3.778 6.816) 8.870 4.655 ( 8.523 -7.177 6.577) 12.938 4.918 ( -4.028 5.321 2.397) 7.091 5.135 ( -5.449 -3.389 -2.782) 6.994 5.229 ( -0.498 2.368 1.922) 3.090 5.328 ( -2.239 -1.408 -2.121) 3.391 5.435 ( -0.158 0.310 0.099) 0.362 5.451 ( -0.602 -0.353 -0.276) 0.751 5.590 ( 1.113 1.180 0.624) 1.737 5.627 ( 0.977 -0.890 0.009) 1.322 5.872 ( 1.570 2.073 1.021) 2.794 5.926 ( 0.614 -0.359 1.013) 1.238 5.946 ( 0.298 5.341 2.411) 5.868 6.031 ( 1.770 2.584 0.024) 3.132 6.062 ( -1.035 1.170 -0.086) 1.564 6.120 ( 0.089 -0.117 -1.706) 1.712 6.588 ( 0.131 2.464 -0.218) 2.477 6.703 ( 0.381 -2.720 -0.676) 2.829 6.889 ( -1.307 -0.975 0.138) 1.636 6.921 ( -0.855 -1.889 -1.073) 2.334 ======================= Grid point 31 (20/170) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 0.000 18.834 0.000) 18.834 2.255 ( 0.000 14.101 0.000) 14.101 2.453 ( -9.309 12.193 -0.938) 15.369 2.453 ( 9.309 12.193 0.938) 15.369 2.789 ( 0.000 -5.368 -0.000) 5.368 2.828 ( 0.000 -11.621 -0.000) 11.621 2.881 ( 0.000 -7.249 0.000) 7.249 2.988 ( 0.000 -7.788 0.000) 7.788 3.284 ( 0.000 -0.500 -0.000) 0.500 3.405 ( 0.000 2.852 0.000) 2.852 3.479 ( -0.000 0.685 -0.000) 0.685 3.506 ( 0.000 -0.845 0.000) 0.845 3.728 ( 0.000 -8.201 0.000) 8.201 3.830 ( 0.000 -7.293 -0.000) 7.293 3.939 ( 0.000 4.942 0.000) 4.942 4.026 ( 0.000 1.186 -0.000) 1.186 4.529 ( 0.000 6.650 -0.000) 6.650 4.782 ( 0.000 -3.342 0.000) 3.342 4.952 ( 0.000 -1.786 0.000) 1.786 4.977 ( -0.000 -1.680 -0.000) 1.680 5.237 ( 0.000 1.639 -0.000) 1.639 5.291 ( 0.000 -1.115 0.000) 1.115 5.440 ( 0.000 -0.964 0.000) 0.964 5.441 ( -0.000 0.007 -0.000) 0.007 5.604 ( 0.000 1.128 0.000) 1.128 5.638 ( 0.000 -1.049 0.000) 1.049 5.895 ( 0.000 1.599 0.000) 1.599 5.932 ( 0.000 2.613 0.000) 2.613 5.980 ( 0.000 2.949 -0.000) 2.949 6.029 ( 0.000 2.673 0.000) 2.673 6.061 ( 0.000 1.547 0.000) 1.547 6.106 ( 0.000 -0.503 0.000) 0.503 6.588 ( 0.000 2.330 0.000) 2.330 6.703 ( 0.000 -2.755 0.000) 2.755 6.878 ( 0.000 -1.200 -0.000) 1.200 6.908 ( 0.000 -1.740 0.000) 1.740 ======================= Grid point 36 (21/170) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 0.000 -21.148 0.000) 21.148 1.700 ( 0.000 21.148 0.000) 21.148 2.172 ( 0.000 -20.897 0.000) 20.897 2.172 ( 0.000 20.897 0.000) 20.897 2.794 ( 0.000 -0.496 0.000) 0.496 2.794 ( 0.000 0.496 0.000) 0.496 2.940 ( 0.000 -1.067 0.000) 1.067 2.940 ( 0.000 1.067 0.000) 1.067 3.362 ( 0.000 -11.115 0.000) 11.115 3.362 ( 0.000 11.115 0.000) 11.115 3.453 ( 0.000 -9.124 0.000) 9.124 3.453 ( 0.000 9.124 0.000) 9.124 3.877 ( 0.000 -3.036 0.000) 3.036 3.877 ( 0.000 3.036 0.000) 3.036 4.040 ( 0.000 -3.069 0.000) 3.069 4.040 ( 0.000 3.069 0.000) 3.069 4.092 ( 0.000 -2.328 0.000) 2.328 4.092 ( 0.000 2.328 0.000) 2.328 5.042 ( 0.000 -2.956 0.000) 2.956 5.042 ( 0.000 2.956 0.000) 2.956 5.346 ( 0.000 -2.914 0.000) 2.914 5.346 ( 0.000 2.914 0.000) 2.914 5.458 ( 0.000 -1.836 0.000) 1.836 5.458 ( 0.000 1.836 0.000) 1.836 5.625 ( 0.000 -0.557 0.000) 0.557 5.625 ( 0.000 0.557 0.000) 0.557 5.858 ( 0.000 -2.144 0.000) 2.144 5.858 ( 0.000 2.144 0.000) 2.144 5.951 ( 0.000 -0.937 0.000) 0.937 5.951 ( 0.000 0.937 0.000) 0.937 6.079 ( 0.000 -2.661 0.000) 2.661 6.079 ( 0.000 2.661 0.000) 2.661 6.634 ( 0.000 -2.701 0.000) 2.701 6.634 ( 0.000 2.701 0.000) 2.701 6.989 ( 0.000 -0.554 0.000) 0.554 6.989 ( 0.000 0.554 0.000) 0.554 ======================= Grid point 38 (22/170) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 8.106 -18.825 7.280) 21.751 1.818 ( 8.106 18.825 7.280) 21.751 2.204 ( 1.918 -20.274 3.305) 20.631 2.204 ( 1.918 20.274 3.305) 20.631 2.767 ( -2.590 -9.084 0.667) 9.470 2.767 ( -2.590 9.084 0.667) 9.470 2.968 ( 4.225 -6.235 -4.824) 8.944 2.968 ( 4.225 6.235 -4.824) 8.944 3.353 ( -0.992 -2.506 -0.112) 2.697 3.353 ( -0.992 2.506 -0.112) 2.697 3.472 ( 2.009 -14.762 0.908) 14.926 3.472 ( 2.009 14.762 0.908) 14.926 3.866 ( 0.020 -4.348 -4.726) 6.422 3.866 ( 0.020 4.348 -4.726) 6.422 3.993 ( -2.764 -0.237 -1.276) 3.053 3.993 ( -2.764 0.237 -1.276) 3.053 4.152 ( 3.137 -2.205 6.210) 7.298 4.152 ( 3.137 2.205 6.210) 7.298 5.068 ( 0.458 -3.825 3.498) 5.204 5.068 ( 0.458 3.825 3.498) 5.204 5.335 ( -2.078 -3.917 2.373) 5.030 5.335 ( -2.078 3.917 2.373) 5.030 5.473 ( 1.582 -1.971 -0.998) 2.717 5.473 ( 1.582 1.971 -0.998) 2.717 5.609 ( -0.720 -1.226 -1.531) 2.089 5.609 ( -0.720 1.226 -1.531) 2.089 5.863 ( 0.280 -2.148 0.416) 2.206 5.863 ( 0.280 2.148 0.416) 2.206 5.964 ( 0.790 -1.270 1.014) 1.807 5.964 ( 0.790 1.270 1.014) 1.807 6.088 ( 1.126 -2.313 -0.599) 2.642 6.088 ( 1.126 2.313 -0.599) 2.642 6.638 ( 0.383 -2.849 -0.176) 2.880 6.638 ( 0.383 2.849 -0.176) 2.880 6.970 ( -1.583 -0.627 -0.725) 1.851 6.970 ( -1.583 0.627 -0.725) 1.851 ======================= Grid point 40 (23/170) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 10.454 -13.948 8.170) 19.250 2.079 ( 10.454 13.948 8.170) 19.250 2.309 ( 4.544 -16.710 7.370) 18.820 2.309 ( 4.544 16.710 7.370) 18.820 2.715 ( -2.997 -10.167 -0.648) 10.619 2.715 ( -2.997 10.167 -0.648) 10.619 2.982 ( 2.322 -6.657 -7.049) 9.970 2.982 ( 2.322 6.657 -7.049) 9.970 3.337 ( -0.329 -4.047 0.269) 4.069 3.337 ( -0.329 4.047 0.269) 4.069 3.527 ( 0.600 -14.479 3.269) 14.856 3.527 ( 0.600 14.479 3.269) 14.856 3.785 ( -2.224 -2.525 -6.127) 6.990 3.785 ( -2.224 2.525 -6.127) 6.990 3.957 ( 1.321 -4.144 -2.899) 5.227 3.957 ( 1.321 4.144 -2.899) 5.227 4.315 ( 6.753 -2.876 8.392) 11.149 4.315 ( 6.753 2.876 8.392) 11.149 5.090 ( -2.211 -5.610 3.730) 7.090 5.090 ( -2.211 5.610 3.730) 7.090 5.314 ( -2.121 -4.321 1.880) 5.168 5.314 ( -2.121 4.321 1.880) 5.168 5.474 ( -0.432 -1.119 -2.048) 2.373 5.474 ( -0.432 1.119 -2.048) 2.373 5.592 ( 0.580 -1.521 -0.677) 1.763 5.592 ( 0.580 1.521 -0.677) 1.763 5.878 ( 0.740 -1.956 0.944) 2.294 5.878 ( 0.740 1.956 0.944) 2.294 5.994 ( 0.949 -1.971 1.809) 2.839 5.994 ( 0.949 1.971 1.809) 2.839 6.103 ( 1.102 -1.834 -1.227) 2.467 6.103 ( 1.102 1.834 -1.227) 2.467 6.643 ( 0.422 -3.122 -0.381) 3.174 6.643 ( 0.422 3.122 -0.381) 3.174 6.926 ( -1.960 -0.911 -0.903) 2.342 6.926 ( -1.960 0.911 -0.903) 2.342 ======================= Grid point 42 (24/170) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 6.952 -11.923 5.411) 14.825 2.305 ( 6.952 11.923 5.411) 14.825 2.504 ( 6.706 -9.517 7.497) 13.848 2.504 ( 6.706 9.517 7.497) 13.848 2.642 ( -2.675 -8.827 -1.036) 9.281 2.642 ( -2.675 8.827 -1.036) 9.281 2.927 ( -2.048 -5.175 -5.925) 8.129 2.927 ( -2.048 5.175 -5.925) 8.129 3.344 ( 1.494 -1.597 -1.884) 2.887 3.344 ( 1.494 1.597 -1.884) 2.887 3.520 ( -4.650 -8.829 4.951) 11.139 3.520 ( -4.650 8.829 4.951) 11.139 3.718 ( 0.478 -4.233 -4.708) 6.350 3.718 ( 0.478 4.233 -4.708) 6.350 3.988 ( 3.790 -3.734 -2.516) 5.885 3.988 ( 3.790 3.734 -2.516) 5.885 4.531 ( 7.909 -5.358 7.204) 11.964 4.531 ( 7.909 5.358 7.204) 11.964 5.033 ( -5.815 -6.320 0.671) 8.614 5.033 ( -5.815 6.320 0.671) 8.614 5.284 ( -1.450 -2.859 -0.534) 3.250 5.284 ( -1.450 2.859 -0.534) 3.250 5.444 ( -0.870 -0.472 -0.457) 1.090 5.444 ( -0.870 0.472 -0.457) 1.090 5.611 ( 1.111 -0.956 0.110) 1.470 5.611 ( 1.111 0.956 0.110) 1.470 5.906 ( 1.168 -1.516 0.944) 2.134 5.906 ( 1.168 1.516 0.944) 2.134 6.028 ( 0.678 -2.619 2.225) 3.503 6.028 ( 0.678 2.619 2.225) 3.503 6.099 ( -0.135 -1.952 -1.883) 2.716 6.099 ( -0.135 1.952 -1.883) 2.716 6.645 ( 0.142 -3.273 -0.389) 3.299 6.645 ( 0.142 3.273 -0.389) 3.299 6.889 ( -1.076 -1.066 -0.511) 1.599 6.889 ( -1.076 1.066 -0.511) 1.599 ======================= Grid point 44 (25/170) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 0.000 -14.365 -0.000) 14.365 2.433 ( 0.000 14.365 0.000) 14.365 2.513 ( -0.000 -9.951 0.000) 9.951 2.513 ( 0.000 9.951 0.000) 9.951 2.721 ( -0.000 -1.200 -0.000) 1.200 2.721 ( -0.000 1.200 -0.000) 1.200 2.828 ( 0.000 -3.716 0.000) 3.716 2.828 ( 0.000 3.716 0.000) 3.716 3.352 ( 0.000 -6.219 -0.000) 6.219 3.352 ( 0.000 6.219 0.000) 6.219 3.489 ( -0.000 -0.659 0.000) 0.659 3.489 ( 0.000 0.659 0.000) 0.659 3.705 ( 0.000 -4.872 0.000) 4.872 3.705 ( 0.000 4.872 0.000) 4.872 4.019 ( 0.000 -2.368 0.000) 2.368 4.019 ( 0.000 2.368 -0.000) 2.368 4.674 ( 0.000 -7.506 -0.000) 7.506 4.674 ( 0.000 7.506 0.000) 7.506 4.944 ( 0.000 -1.143 0.000) 1.143 4.944 ( 0.000 1.143 0.000) 1.143 5.266 ( 0.000 -1.458 0.000) 1.458 5.266 ( 0.000 1.458 0.000) 1.458 5.435 ( 0.000 -0.240 -0.000) 0.240 5.435 ( 0.000 0.240 -0.000) 0.240 5.623 ( 0.000 -0.773 0.000) 0.773 5.623 ( 0.000 0.773 0.000) 0.773 5.925 ( 0.000 -1.457 0.000) 1.457 5.925 ( 0.000 1.457 0.000) 1.457 6.053 ( 0.000 -1.733 0.000) 1.733 6.053 ( 0.000 1.733 -0.000) 1.733 6.078 ( 0.000 -1.187 0.000) 1.187 6.078 ( -0.000 1.187 -0.000) 1.187 6.644 ( 0.000 -3.296 0.000) 3.296 6.644 ( 0.000 3.296 0.000) 3.296 6.877 ( 0.000 -1.068 -0.000) 1.068 6.877 ( 0.000 1.068 0.000) 1.068 ======================= Grid point 81 (26/170) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 8.555 0.000 23.326) 24.845 0.534 ( -10.322 0.000 25.464) 27.477 0.965 ( -6.452 0.000 45.852) 46.304 2.150 ( -2.836 0.000 -2.792) 3.980 2.185 ( -3.494 0.000 4.304) 5.544 2.637 ( -2.712 0.000 0.856) 2.844 2.791 ( -3.249 0.000 1.453) 3.559 2.848 ( 5.525 0.000 6.260) 8.349 2.986 ( -0.321 0.000 1.586) 1.618 3.640 ( -4.644 0.000 -4.652) 6.573 3.745 ( 1.361 0.000 0.153) 1.369 3.794 ( 2.154 0.000 -3.505) 4.114 3.912 ( -0.716 0.000 -1.884) 2.016 4.066 ( -0.094 0.000 1.225) 1.228 4.302 ( 0.100 0.000 5.248) 5.249 4.490 ( 1.987 0.000 -12.100) 12.262 4.674 ( 0.705 0.000 0.117) 0.715 4.764 ( -5.087 0.000 -7.282) 8.883 4.885 ( 1.947 0.000 2.040) 2.820 5.058 ( -3.480 0.000 7.290) 8.078 5.182 ( 4.131 0.000 1.809) 4.510 5.246 ( -2.283 0.000 1.370) 2.663 5.469 ( -2.370 0.000 -0.329) 2.393 5.533 ( 0.101 0.000 -3.179) 3.181 5.544 ( 8.221 0.000 -1.499) 8.357 5.613 ( 0.303 0.000 1.636) 1.664 5.619 ( -2.388 0.000 -0.371) 2.417 5.661 ( 2.435 0.000 0.098) 2.437 5.663 ( -2.315 0.000 2.058) 3.098 5.869 ( 31.405 0.000 3.706) 31.623 5.966 ( 0.486 0.000 -0.848) 0.978 6.104 ( -1.814 0.000 0.714) 1.949 6.552 ( -0.485 0.000 0.918) 1.038 6.830 ( 0.884 0.000 0.122) 0.893 6.983 ( -13.955 0.000 -0.524) 13.965 7.035 ( -0.098 0.000 -2.209) 2.211 ======================= Grid point 82 (27/170) ======================= q-point: ( 0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 10.810 0.000 18.578) 21.494 0.931 ( 9.957 0.000 25.178) 27.075 1.503 ( 21.923 0.000 32.998) 39.616 2.142 ( 5.101 0.000 -4.000) 6.483 2.159 ( -3.647 0.000 4.399) 5.714 2.591 ( -2.654 0.000 0.444) 2.690 2.754 ( 0.032 0.000 -1.808) 1.808 3.003 ( 1.797 0.000 2.392) 2.991 3.057 ( 7.328 0.000 8.754) 11.416 3.536 ( -3.303 0.000 -3.530) 4.834 3.733 ( -1.524 0.000 -3.458) 3.779 3.760 ( -2.329 0.000 -3.964) 4.598 3.897 ( 0.517 0.000 -0.781) 0.936 4.081 ( 0.340 0.000 1.442) 1.481 4.347 ( -3.163 0.000 5.627) 6.455 4.419 ( 1.597 0.000 -12.364) 12.467 4.593 ( -3.284 0.000 -5.544) 6.444 4.763 ( 3.497 0.000 6.599) 7.468 4.905 ( -0.850 0.000 0.576) 1.027 5.030 ( -5.476 0.000 4.774) 7.265 5.214 ( -1.621 0.000 -0.093) 1.624 5.293 ( 4.661 0.000 0.252) 4.668 5.461 ( 0.284 0.000 1.764) 1.786 5.482 ( -1.685 0.000 -2.299) 2.851 5.554 ( -3.325 0.000 -1.890) 3.825 5.602 ( 2.954 0.000 -1.586) 3.353 5.667 ( 0.837 0.000 2.265) 2.414 5.668 ( 3.228 0.000 2.055) 3.827 5.722 ( 2.969 0.000 1.427) 3.294 5.963 ( -0.075 0.000 -0.772) 0.776 6.072 ( -1.520 0.000 -0.581) 1.627 6.213 ( 5.563 0.000 -4.845) 7.377 6.569 ( 1.711 0.000 0.772) 1.877 6.798 ( -6.253 0.000 4.386) 7.638 6.856 ( 1.432 0.000 0.522) 1.524 7.007 ( -0.531 0.000 -2.599) 2.652 ======================= Grid point 83 (28/170) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 16.200 0.000 12.432) 20.420 1.312 ( 6.323 0.000 26.047) 26.804 2.039 ( -5.220 0.000 10.261) 11.513 2.205 ( 0.016 0.000 0.392) 0.393 2.293 ( 25.442 0.000 16.084) 30.100 2.591 ( 6.389 0.000 -4.034) 7.556 2.779 ( 5.907 0.000 -4.531) 7.445 3.065 ( 2.788 0.000 2.767) 3.928 3.275 ( 5.959 0.000 7.665) 9.708 3.432 ( -4.356 0.000 -3.608) 5.656 3.628 ( -5.364 0.000 -5.488) 7.674 3.662 ( -3.707 0.000 -2.139) 4.280 3.911 ( 1.874 0.000 -1.263) 2.261 4.063 ( -3.827 0.000 -1.477) 4.102 4.223 ( -8.760 0.000 0.156) 8.762 4.318 ( -1.357 0.000 -11.214) 11.296 4.630 ( 5.229 0.000 3.636) 6.369 4.876 ( -1.113 0.000 -1.744) 2.068 4.891 ( 1.573 0.000 10.455) 10.572 4.926 ( -7.499 0.000 -0.346) 7.507 5.201 ( 1.094 0.000 -1.059) 1.523 5.287 ( -2.954 0.000 -4.623) 5.486 5.467 ( -3.998 0.000 -1.238) 4.186 5.487 ( 1.145 0.000 0.482) 1.243 5.488 ( 2.427 0.000 1.309) 2.757 5.651 ( 2.107 0.000 0.282) 2.126 5.715 ( 3.341 0.000 -0.579) 3.390 5.753 ( 3.642 0.000 1.573) 3.967 5.791 ( 2.509 0.000 1.643) 2.999 5.953 ( -0.162 0.000 -0.349) 0.385 6.035 ( -1.403 0.000 -1.755) 2.246 6.177 ( -4.383 0.000 0.625) 4.427 6.600 ( -0.124 0.000 1.707) 1.711 6.775 ( 0.118 0.000 0.881) 0.889 6.888 ( 1.604 0.000 -0.111) 1.608 6.975 ( -0.627 0.000 -1.726) 1.836 ======================= Grid point 84 (29/170) ======================= q-point: ( 0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 15.301 0.000 9.253) 17.881 1.606 ( 0.158 0.000 21.576) 21.576 1.926 ( -10.353 0.000 8.891) 13.646 2.101 ( -11.848 0.000 3.863) 12.462 2.753 ( 13.372 0.000 -7.833) 15.497 2.870 ( 13.120 0.000 -3.107) 13.482 2.962 ( 22.208 0.000 10.612) 24.613 3.158 ( 3.899 0.000 3.391) 5.167 3.311 ( -5.531 0.000 -2.467) 6.057 3.338 ( -3.012 0.000 0.106) 3.014 3.422 ( -11.016 0.000 -7.205) 13.163 3.652 ( 1.062 0.000 4.741) 4.858 3.925 ( -4.922 0.000 -4.526) 6.687 3.946 ( 3.093 0.000 -1.709) 3.533 4.089 ( -7.399 0.000 3.098) 8.021 4.183 ( -2.771 0.000 -8.225) 8.679 4.733 ( 2.425 0.000 -4.328) 4.961 4.754 ( -6.766 0.000 -6.785) 9.582 4.872 ( 1.796 0.000 3.124) 3.603 4.988 ( -1.537 0.000 10.208) 10.323 5.174 ( -3.291 0.000 -3.895) 5.099 5.243 ( 3.886 0.000 0.055) 3.886 5.386 ( -3.374 0.000 -1.199) 3.581 5.510 ( 1.318 0.000 -0.768) 1.526 5.534 ( 1.236 0.000 -0.463) 1.320 5.666 ( -1.804 0.000 2.727) 3.270 5.778 ( 5.255 0.000 -4.341) 6.817 5.813 ( 0.698 0.000 -0.977) 1.201 5.835 ( 1.903 0.000 1.466) 2.402 5.957 ( -0.365 0.000 -1.027) 1.089 6.001 ( 0.278 0.000 0.269) 0.387 6.103 ( -4.759 0.000 2.762) 5.503 6.599 ( -1.289 0.000 1.575) 2.035 6.797 ( 1.226 0.000 1.016) 1.593 6.899 ( 0.669 0.000 -2.838) 2.916 6.967 ( 0.279 0.000 1.331) 1.360 ======================= Grid point 85 (30/170) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -16.996 0.000 8.833) 19.154 1.851 ( -16.447 0.000 5.749) 17.423 1.911 ( 10.358 0.000 6.757) 12.367 1.969 ( -0.396 0.000 17.658) 17.663 2.856 ( 4.454 0.000 -9.552) 10.539 2.999 ( -3.226 0.000 -7.955) 8.584 3.078 ( -9.921 0.000 -4.277) 10.803 3.195 ( -4.463 0.000 -0.299) 4.473 3.207 ( -2.155 0.000 -1.811) 2.815 3.318 ( 3.340 0.000 3.158) 4.597 3.432 ( 14.329 0.000 8.762) 16.795 3.640 ( -7.759 0.000 1.859) 7.978 3.877 ( 3.484 0.000 -2.313) 4.182 3.976 ( 1.313 0.000 -1.846) 2.265 4.054 ( 1.392 0.000 5.798) 5.963 4.138 ( 5.734 0.000 -4.877) 7.528 4.576 ( -2.620 0.000 -11.698) 11.988 4.647 ( -2.969 0.000 -9.818) 10.257 4.920 ( -0.961 0.000 0.783) 1.240 5.015 ( -3.039 0.000 6.735) 7.389 5.171 ( 4.858 0.000 1.170) 4.997 5.304 ( -2.145 0.000 -1.016) 2.373 5.349 ( 3.545 0.000 1.713) 3.937 5.516 ( -1.324 0.000 -3.248) 3.508 5.520 ( 0.822 0.000 -1.741) 1.925 5.643 ( -2.784 0.000 2.562) 3.784 5.787 ( -1.098 0.000 -2.192) 2.452 5.824 ( 4.252 0.000 -5.865) 7.244 5.860 ( -2.000 0.000 -0.025) 2.000 5.917 ( 0.544 0.000 -2.077) 2.147 6.043 ( -4.952 0.000 3.735) 6.203 6.053 ( 1.935 0.000 3.163) 3.708 6.585 ( -1.229 0.000 0.948) 1.552 6.839 ( 1.439 0.000 2.890) 3.229 6.876 ( -0.037 0.000 -3.086) 3.086 6.995 ( 0.827 0.000 1.782) 1.964 ======================= Grid point 86 (31/170) ======================= q-point: (-0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -21.314 0.000 8.519) 22.954 1.518 ( -22.987 0.000 6.971) 24.021 2.061 ( -7.370 0.000 11.429) 13.599 2.149 ( 7.176 0.000 5.869) 9.271 2.510 ( -26.322 0.000 -3.246) 26.521 2.784 ( -2.471 0.000 -6.922) 7.350 3.003 ( -6.194 0.000 1.219) 6.313 3.093 ( -4.847 0.000 -0.449) 4.868 3.298 ( -13.217 0.000 1.636) 13.318 3.303 ( 11.550 0.000 -3.785) 12.154 3.560 ( 4.991 0.000 -1.150) 5.122 3.643 ( 3.940 0.000 2.951) 4.922 3.966 ( 5.533 0.000 -1.262) 5.675 3.982 ( -0.138 0.000 0.250) 0.285 4.201 ( 5.904 0.000 6.728) 8.951 4.280 ( 12.020 0.000 -5.479) 13.210 4.480 ( 3.996 0.000 -11.302) 11.987 4.508 ( -1.518 0.000 -7.599) 7.749 4.886 ( -0.919 0.000 -2.196) 2.381 5.010 ( -2.729 0.000 5.255) 5.921 5.234 ( -2.316 0.000 -3.323) 4.050 5.307 ( 6.585 0.000 1.909) 6.856 5.430 ( 1.320 0.000 2.124) 2.500 5.435 ( -3.189 0.000 -5.056) 5.978 5.513 ( 0.180 0.000 -0.827) 0.846 5.620 ( -1.170 0.000 1.400) 1.825 5.741 ( -1.657 0.000 -2.100) 2.675 5.778 ( -4.217 0.000 -2.141) 4.730 5.834 ( 2.902 0.000 -7.313) 7.868 5.935 ( 1.341 0.000 -0.497) 1.430 5.973 ( -6.140 0.000 3.729) 7.184 6.107 ( 0.658 0.000 3.097) 3.167 6.572 ( -0.927 0.000 0.669) 1.143 6.849 ( -0.108 0.000 -2.388) 2.391 6.904 ( 1.641 0.000 5.223) 5.475 7.023 ( 0.774 0.000 1.067) 1.318 ======================= Grid point 87 (32/170) ======================= q-point: (-0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -22.950 0.000 11.304) 25.583 1.120 ( -26.675 0.000 10.356) 28.615 1.642 ( -37.322 0.000 2.115) 37.382 2.262 ( -6.893 0.000 8.845) 11.214 2.272 ( 0.668 0.000 4.437) 4.487 2.703 ( -1.618 0.000 -0.364) 1.658 2.907 ( -5.683 0.000 3.152) 6.498 2.968 ( -11.187 0.000 -4.235) 11.962 3.045 ( -6.330 0.000 0.539) 6.353 3.501 ( 11.977 0.000 -2.913) 12.326 3.680 ( 6.704 0.000 -1.671) 6.909 3.695 ( 1.681 0.000 -1.084) 2.000 3.966 ( -1.351 0.000 -0.263) 1.376 4.026 ( 1.724 0.000 -0.336) 1.756 4.287 ( -0.487 0.000 0.976) 1.091 4.440 ( 10.739 0.000 -7.492) 13.094 4.523 ( 7.485 0.000 -5.297) 9.170 4.557 ( 9.057 0.000 1.299) 9.150 4.864 ( 0.647 0.000 -1.847) 1.957 5.016 ( -1.797 0.000 6.116) 6.375 5.165 ( -1.057 0.000 -4.943) 5.054 5.311 ( -4.394 0.000 -5.996) 7.434 5.405 ( -4.108 0.000 0.131) 4.111 5.433 ( 5.129 0.000 0.835) 5.197 5.534 ( 1.133 0.000 1.344) 1.758 5.622 ( 0.758 0.000 -1.007) 1.261 5.684 ( -3.633 0.000 -1.340) 3.872 5.690 ( -1.663 0.000 -2.071) 2.656 5.798 ( 0.489 0.000 -8.693) 8.707 5.872 ( -7.529 0.000 2.761) 8.019 5.951 ( 1.014 0.000 -0.773) 1.275 6.131 ( -0.792 0.000 2.573) 2.693 6.562 ( -0.801 0.000 0.771) 1.111 6.830 ( -0.045 0.000 -1.556) 1.556 6.996 ( 2.284 0.000 7.039) 7.400 7.042 ( 0.676 0.000 -0.006) 0.676 ======================= Grid point 88 (33/170) ======================= q-point: (-0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( -24.148 0.000 10.366) 26.279 0.725 ( -26.556 0.000 17.466) 31.786 1.014 ( -35.135 0.000 27.518) 44.629 2.220 ( -4.918 0.000 5.906) 7.686 2.252 ( -5.572 0.000 2.180) 5.983 2.701 ( -4.023 0.000 3.402) 5.269 2.756 ( -0.724 0.000 -3.503) 3.577 2.842 ( -4.443 0.000 3.371) 5.577 2.994 ( -1.838 0.000 1.221) 2.206 3.679 ( 8.630 0.000 -5.622) 10.300 3.714 ( 1.874 0.000 -0.690) 1.997 3.760 ( 4.343 0.000 -3.363) 5.493 3.938 ( -0.671 0.000 -1.321) 1.482 4.050 ( 0.694 0.000 1.153) 1.346 4.280 ( -0.975 0.000 2.068) 2.287 4.521 ( 5.883 0.000 -10.300) 11.862 4.687 ( 11.400 0.000 -3.621) 11.961 4.752 ( 8.320 0.000 1.355) 8.429 4.867 ( 0.240 0.000 -1.247) 1.269 5.042 ( -1.815 0.000 6.110) 6.374 5.129 ( 2.663 0.000 5.196) 5.838 5.181 ( -3.575 0.000 -3.415) 4.944 5.308 ( -5.553 0.000 0.867) 5.620 5.514 ( 3.353 0.000 -0.816) 3.451 5.564 ( -0.574 0.000 1.454) 1.564 5.603 ( -0.175 0.000 -4.998) 5.001 5.627 ( -1.844 0.000 0.124) 1.848 5.648 ( -0.495 0.000 -1.894) 1.958 5.689 ( -4.139 0.000 -4.276) 5.951 5.754 ( -7.268 0.000 4.142) 8.365 5.961 ( 0.830 0.000 -0.905) 1.229 6.126 ( -1.654 0.000 1.797) 2.442 6.555 ( -0.683 0.000 0.958) 1.177 6.822 ( 0.260 0.000 -0.679) 0.727 7.047 ( 0.405 0.000 -1.205) 1.272 7.100 ( 2.437 0.000 2.308) 3.357 ======================= Grid point 89 (34/170) ======================= q-point: ( 0.00 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 11.940 20.844 14.750) 28.189 0.833 ( -0.715 18.967 21.433) 28.629 1.307 ( -11.097 33.849 29.356) 46.159 2.190 ( -1.819 4.368 -1.779) 5.055 2.246 ( -4.798 6.171 2.691) 8.268 2.660 ( -1.130 0.418 1.079) 1.617 2.775 ( 3.836 -3.215 4.546) 6.762 2.852 ( -2.813 4.023 3.454) 6.002 3.014 ( 0.071 -0.799 -2.509) 2.634 3.628 ( -2.189 -0.690 -3.628) 4.293 3.685 ( 4.140 -6.418 -4.510) 8.869 3.774 ( -2.162 -2.223 -0.027) 3.101 3.913 ( -0.444 0.308 -0.377) 0.659 4.057 ( -0.000 -0.818 0.856) 1.185 4.240 ( 3.337 -6.011 0.279) 6.881 4.443 ( 3.169 -5.600 -8.805) 10.905 4.579 ( 0.045 -7.674 1.439) 7.808 4.699 ( -4.501 -6.106 -2.849) 8.103 4.894 ( 0.225 0.985 1.855) 2.112 5.096 ( 0.754 2.900 1.511) 3.356 5.155 ( -0.292 0.834 3.020) 3.147 5.334 ( 3.611 1.520 2.642) 4.725 5.383 ( 4.998 -3.744 2.427) 6.700 5.512 ( 0.466 0.050 1.250) 1.335 5.536 ( -0.994 -0.140 -1.897) 2.146 5.587 ( -0.536 -0.048 1.235) 1.347 5.678 ( -1.434 3.668 0.794) 4.018 5.693 ( 2.535 3.752 1.139) 4.669 5.741 ( -0.742 5.237 1.165) 5.416 5.830 ( 11.032 0.585 1.556) 11.156 5.989 ( 0.039 0.725 0.935) 1.184 6.107 ( -1.841 0.313 0.778) 2.023 6.552 ( -0.574 0.158 0.849) 1.037 6.785 ( -2.108 -2.467 2.335) 3.998 7.009 ( -1.376 -0.065 -3.568) 3.825 7.038 ( -2.158 0.219 -2.232) 3.112 ======================= Grid point 90 (35/170) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 9.283 20.644 15.161) 27.244 1.107 ( 7.837 18.342 18.728) 27.360 1.657 ( 18.238 17.931 28.827) 38.538 2.185 ( 4.636 4.534 -4.155) 7.702 2.201 ( -3.486 4.586 3.167) 6.574 2.637 ( -2.505 4.110 1.589) 5.069 2.801 ( 0.406 4.655 -1.796) 5.006 2.977 ( 6.724 -6.085 8.047) 12.124 3.008 ( 1.102 -1.992 1.534) 2.745 3.542 ( -3.457 0.549 -3.519) 4.964 3.680 ( -4.357 -5.430 -2.733) 7.480 3.699 ( 0.414 -5.964 -6.024) 8.487 3.921 ( 0.780 2.210 0.698) 2.446 4.068 ( 0.033 -1.610 0.897) 1.843 4.294 ( 1.184 -5.503 -0.924) 5.705 4.394 ( -1.974 -2.750 -4.745) 5.829 4.504 ( -3.894 -7.984 -2.419) 9.207 4.727 ( 4.168 -4.265 5.989) 8.451 4.899 ( -1.463 0.619 1.432) 2.139 5.075 ( -3.421 4.127 0.908) 5.437 5.193 ( 1.115 -0.005 1.158) 1.607 5.372 ( -0.180 4.289 -1.857) 4.677 5.433 ( 2.334 -1.713 1.749) 3.383 5.492 ( -1.465 0.645 -0.560) 1.696 5.540 ( -0.409 -1.995 -2.283) 3.060 5.584 ( 1.023 0.145 0.060) 1.035 5.685 ( 0.316 3.370 3.154) 4.626 5.743 ( 2.495 4.373 1.130) 5.160 5.774 ( 2.492 4.993 0.735) 5.628 5.956 ( 0.568 -0.721 -0.951) 1.322 6.076 ( -1.187 -0.174 -0.071) 1.201 6.101 ( 5.688 -6.798 2.188) 9.130 6.555 ( 0.193 -0.489 1.242) 1.349 6.766 ( -1.725 -1.591 2.179) 3.202 6.938 ( -1.517 3.991 -2.103) 4.760 6.998 ( -0.754 -0.876 -2.389) 2.654 ======================= Grid point 91 (36/170) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 12.750 18.877 9.787) 24.793 1.420 ( 4.999 10.991 23.794) 26.682 2.078 ( -6.671 4.388 7.324) 10.834 2.257 ( 2.845 5.110 -0.494) 5.869 2.373 ( 25.217 8.895 15.147) 30.732 2.617 ( 1.881 3.250 -1.014) 3.889 2.842 ( 7.410 5.681 -4.608) 10.412 3.050 ( 2.460 -1.824 2.905) 4.221 3.194 ( 6.674 -7.609 7.084) 12.354 3.432 ( -4.692 -0.330 -3.417) 5.814 3.528 ( -7.892 -7.002 -3.045) 10.981 3.647 ( -0.067 -3.762 -7.420) 8.320 3.947 ( 1.142 2.668 1.034) 3.081 4.044 ( -3.466 -2.345 -1.019) 4.307 4.215 ( -7.482 -1.729 -0.019) 7.679 4.265 ( -2.433 -4.924 -10.372) 11.736 4.547 ( 2.824 -6.630 6.708) 9.845 4.850 ( -0.834 -2.627 1.509) 3.143 4.883 ( 1.365 -0.216 7.777) 7.899 4.990 ( -3.841 5.072 -4.289) 7.673 5.214 ( 1.102 1.153 -0.197) 1.607 5.308 ( -3.232 1.835 -4.377) 5.742 5.474 ( -1.510 -0.213 -3.372) 3.701 5.478 ( -0.577 -0.509 2.305) 2.430 5.511 ( 2.378 1.862 0.757) 3.114 5.628 ( 3.085 -1.383 -0.427) 3.408 5.724 ( 0.820 2.488 2.190) 3.415 5.807 ( 2.555 2.571 1.116) 3.792 5.833 ( 2.890 4.966 0.826) 5.805 5.948 ( -0.275 -0.428 -0.253) 0.568 6.043 ( -1.234 0.822 -1.507) 2.114 6.143 ( -1.976 -2.857 1.762) 3.896 6.577 ( 0.210 -1.461 1.844) 2.362 6.764 ( 0.105 -1.041 0.858) 1.353 6.917 ( 0.421 1.934 -1.452) 2.455 6.964 ( -0.778 -1.010 -1.373) 1.874 ======================= Grid point 92 (37/170) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -1.326 6.959 18.494) 19.804 1.716 ( 12.881 13.281 7.576) 19.992 1.958 ( -8.519 4.512 8.233) 12.677 2.201 ( -10.288 9.077 4.392) 14.405 2.696 ( 10.884 -3.079 -7.123) 13.367 2.956 ( 14.059 5.926 -0.771) 15.276 3.021 ( 18.710 5.827 7.450) 20.965 3.138 ( 3.231 -1.868 3.545) 5.147 3.276 ( -3.288 -4.463 -1.143) 5.660 3.326 ( -7.663 -0.829 -3.142) 8.323 3.360 ( -1.641 -5.092 -1.438) 5.540 3.594 ( 0.575 -5.142 -2.702) 5.837 3.922 ( -4.551 -0.392 -1.633) 4.851 3.994 ( 0.776 2.854 -0.151) 2.961 4.086 ( -6.287 -1.047 0.994) 6.450 4.117 ( -4.273 -5.342 -5.693) 8.900 4.610 ( -2.338 -7.278 1.055) 7.717 4.818 ( -0.466 -0.635 -0.012) 0.788 4.869 ( -1.898 4.020 -8.669) 9.742 5.015 ( 1.987 0.658 9.938) 10.156 5.186 ( -3.117 1.245 -3.551) 4.886 5.264 ( 2.729 1.887 -0.086) 3.319 5.399 ( -2.792 1.096 -1.916) 3.559 5.502 ( 0.926 -1.006 -0.254) 1.390 5.548 ( 1.088 1.149 -0.806) 1.775 5.674 ( 0.545 -0.123 1.538) 1.637 5.751 ( 1.911 0.430 -1.539) 2.491 5.833 ( 0.222 1.364 -1.291) 1.891 5.891 ( 2.098 4.340 0.800) 4.887 5.955 ( 0.461 -0.233 -0.126) 0.532 6.008 ( -0.694 1.094 -0.249) 1.320 6.105 ( -3.163 0.167 2.324) 3.928 6.586 ( -0.867 -1.003 1.636) 2.106 6.784 ( 0.967 -1.331 1.115) 1.987 6.904 ( 0.272 0.160 -3.302) 3.317 6.959 ( 0.232 -0.767 1.472) 1.676 ======================= Grid point 93 (38/170) ======================= q-point: (-0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -15.936 3.870 5.599) 17.329 1.967 ( -10.125 9.336 5.430) 14.804 2.004 ( 1.782 9.083 6.062) 11.065 2.040 ( 1.981 8.230 16.681) 18.706 2.800 ( 5.298 -4.064 -8.734) 10.994 3.034 ( -14.179 -0.142 -7.136) 15.874 3.078 ( 5.150 0.096 -6.164) 8.033 3.141 ( -5.025 -1.187 0.400) 5.178 3.276 ( -3.810 4.221 -1.167) 5.805 3.292 ( 4.777 -3.081 3.832) 6.856 3.414 ( 3.338 -0.759 5.765) 6.704 3.656 ( 5.479 0.140 3.975) 6.770 3.878 ( 2.198 -1.023 -1.772) 3.003 3.928 ( -2.783 -0.931 -1.008) 3.103 4.002 ( -0.056 -6.953 -2.545) 7.405 4.146 ( 5.985 1.165 2.303) 6.518 4.501 ( -4.312 -5.304 -6.372) 9.345 4.718 ( -2.348 4.142 -11.198) 12.168 4.842 ( -1.139 -3.986 1.185) 4.311 5.087 ( -2.231 4.170 2.545) 5.370 5.174 ( 4.778 -0.208 1.865) 5.133 5.307 ( -0.981 0.354 -0.812) 1.322 5.368 ( 2.763 1.780 0.634) 3.347 5.505 ( 0.096 -1.407 -1.131) 1.808 5.532 ( -0.899 1.443 -3.103) 3.539 5.667 ( -2.509 1.854 1.887) 3.646 5.766 ( 1.453 -1.411 -3.278) 3.853 5.820 ( 0.718 0.826 -2.524) 2.751 5.886 ( -2.697 1.872 -1.670) 3.684 5.957 ( 2.023 2.997 -1.454) 3.897 6.018 ( -2.363 -0.372 3.921) 4.593 6.088 ( -0.218 1.819 2.562) 3.149 6.578 ( -1.111 -0.516 1.095) 1.643 6.820 ( 0.980 -1.861 2.643) 3.377 6.879 ( 0.292 0.088 -2.970) 2.986 6.985 ( 0.800 -1.010 1.636) 2.082 ======================= Grid point 94 (39/170) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -19.226 5.423 5.870) 20.821 1.646 ( -21.227 10.320 2.460) 23.731 2.127 ( -3.579 6.402 10.813) 13.066 2.231 ( 5.015 8.301 7.176) 12.065 2.599 ( -23.456 8.823 -2.291) 25.165 2.742 ( -2.898 -3.698 -6.518) 8.035 3.034 ( -5.910 1.054 -0.753) 6.051 3.057 ( -3.688 -2.289 0.196) 4.345 3.275 ( -5.395 -0.500 0.289) 5.426 3.339 ( 1.486 2.183 -1.091) 2.857 3.440 ( 5.723 -7.833 1.423) 9.804 3.737 ( 1.364 4.374 0.249) 4.589 3.956 ( 3.343 -3.033 2.289) 5.061 3.962 ( 3.650 -0.028 -1.526) 3.956 4.069 ( 8.803 -10.535 -0.614) 13.742 4.251 ( 2.408 -2.616 -6.326) 7.256 4.443 ( 5.465 -1.216 -0.174) 5.601 4.595 ( -0.343 3.141 -8.488) 9.057 4.819 ( -1.108 -3.978 -0.421) 4.150 5.056 ( -1.562 3.188 -0.134) 3.553 5.224 ( -1.104 -1.107 -3.585) 3.911 5.330 ( 5.250 1.956 1.573) 5.819 5.419 ( -1.245 0.141 0.223) 1.273 5.476 ( -1.233 1.421 -3.469) 3.946 5.502 ( 1.757 0.022 -0.036) 1.757 5.627 ( -2.662 1.037 0.779) 2.962 5.749 ( -0.487 0.058 -2.379) 2.429 5.785 ( -2.727 0.860 -2.410) 3.739 5.832 ( 0.568 1.360 -3.670) 3.955 5.975 ( -4.977 0.881 3.491) 6.143 5.984 ( 1.436 3.342 -0.955) 3.761 6.121 ( 0.358 1.261 2.767) 3.062 6.567 ( -0.966 -0.307 0.867) 1.334 6.840 ( -0.675 -1.318 0.048) 1.482 6.894 ( 2.220 -0.793 2.125) 3.174 7.014 ( 0.896 -1.025 1.036) 1.711 ======================= Grid point 95 (40/170) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -19.415 9.219 9.830) 23.633 1.215 ( -25.100 8.584 -0.529) 26.532 1.898 ( -28.132 22.551 7.718) 36.872 2.282 ( -4.569 4.369 4.698) 7.876 2.366 ( -3.253 7.713 7.331) 11.127 2.663 ( -0.618 -4.151 -1.803) 4.568 2.912 ( -7.523 -0.786 -0.231) 7.568 3.000 ( -5.350 2.998 1.479) 6.309 3.033 ( -9.337 -0.089 0.245) 9.340 3.493 ( 10.429 -0.820 -2.622) 10.785 3.556 ( 5.888 -7.882 -1.150) 9.905 3.764 ( 1.958 2.179 -1.690) 3.382 3.974 ( -0.943 0.400 0.672) 1.225 4.016 ( 1.520 -1.350 0.042) 2.033 4.190 ( -0.138 -7.162 -2.970) 7.754 4.251 ( 10.708 -12.642 -5.869) 17.576 4.554 ( 4.151 1.003 -4.264) 6.034 4.631 ( 6.724 0.090 3.918) 7.783 4.809 ( 0.726 -3.098 -0.428) 3.210 5.034 ( -0.513 2.102 0.057) 2.165 5.161 ( -0.650 -0.656 -5.703) 5.778 5.334 ( -3.804 1.899 -3.382) 5.433 5.403 ( -2.094 -0.370 -1.956) 2.890 5.454 ( 3.126 2.064 1.597) 4.072 5.559 ( 2.804 0.188 0.185) 2.816 5.587 ( -1.898 0.778 0.448) 2.100 5.689 ( -3.103 0.441 -1.705) 3.568 5.739 ( -0.530 2.907 -1.501) 3.315 5.804 ( -0.115 1.756 -4.531) 4.861 5.891 ( -6.562 2.153 2.826) 7.462 5.997 ( 0.797 3.161 -1.244) 3.489 6.139 ( -0.927 0.812 2.410) 2.707 6.558 ( -0.782 -0.160 0.968) 1.255 6.822 ( -0.994 -1.091 -0.081) 1.478 6.970 ( 2.667 -2.043 3.528) 4.872 7.038 ( 1.046 -0.670 0.417) 1.310 ======================= Grid point 96 (41/170) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -20.168 13.002 6.333) 24.817 0.801 ( -15.229 15.565 15.198) 26.555 1.469 ( -26.353 34.617 18.752) 47.375 2.240 ( -3.934 3.464 3.385) 6.240 2.335 ( -6.104 7.178 4.380) 10.391 2.672 ( 0.923 -7.383 -0.387) 7.450 2.738 ( -5.496 3.114 0.028) 6.317 2.898 ( -4.910 5.161 3.758) 8.054 3.012 ( 1.261 -0.936 -0.678) 1.710 3.628 ( 5.524 -6.203 -2.920) 8.804 3.643 ( 5.144 -4.056 -3.679) 7.513 3.780 ( 1.039 1.370 -0.699) 1.856 3.943 ( -1.783 -0.052 -0.755) 1.937 4.044 ( 0.885 -0.668 0.998) 1.492 4.186 ( 1.988 -7.792 -0.969) 8.100 4.384 ( 9.234 -11.161 -7.623) 16.369 4.602 ( 1.248 -5.739 -0.666) 5.911 4.746 ( 1.439 -4.924 1.642) 5.386 4.851 ( 3.568 0.354 0.608) 3.637 5.047 ( 1.750 1.940 1.173) 2.864 5.114 ( 1.066 -0.782 -1.638) 2.105 5.246 ( -3.739 3.276 2.161) 5.421 5.338 ( -1.194 2.709 -1.621) 3.375 5.521 ( 2.174 0.863 0.168) 2.345 5.546 ( -2.017 -0.488 0.555) 2.149 5.604 ( -0.651 -0.446 0.327) 0.855 5.639 ( 0.579 3.740 -0.201) 3.790 5.713 ( -1.588 3.182 -0.614) 3.609 5.756 ( 0.334 5.185 -4.285) 6.735 5.791 ( -5.761 3.911 2.738) 7.482 5.993 ( -0.177 2.107 -0.551) 2.185 6.131 ( -1.806 0.436 1.764) 2.562 6.554 ( -0.562 0.073 1.013) 1.160 6.803 ( -1.436 -1.775 1.041) 2.509 7.024 ( 1.153 -2.162 -0.814) 2.582 7.069 ( 1.272 -1.730 0.252) 2.161 ======================= Grid point 97 (42/170) ======================= q-point: ( 0.00 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 7.102 18.292 17.477) 26.278 1.276 ( 2.663 26.085 8.982) 27.717 2.024 ( -6.540 36.344 13.778) 39.414 2.305 ( -1.496 5.924 -0.705) 6.151 2.412 ( -5.807 10.831 1.761) 12.416 2.540 ( 3.935 -7.932 5.252) 10.295 2.833 ( 0.846 6.997 0.605) 7.074 2.907 ( 0.126 -6.688 -0.050) 6.689 2.970 ( -4.521 4.388 3.379) 7.149 3.519 ( 4.905 -9.720 -5.920) 12.393 3.634 ( 1.022 0.498 -3.770) 3.938 3.682 ( -7.447 -6.733 1.517) 10.153 3.932 ( 1.085 1.173 -0.495) 1.673 4.030 ( -0.326 -2.868 -1.598) 3.299 4.092 ( 5.271 -8.508 -2.202) 10.247 4.301 ( 5.812 -7.929 -4.017) 10.620 4.400 ( -1.724 -10.886 2.416) 11.283 4.534 ( -4.968 -11.477 2.395) 12.733 4.933 ( 0.932 3.103 1.846) 3.729 5.147 ( 3.776 1.731 -0.027) 4.153 5.196 ( 3.680 2.186 0.528) 4.313 5.284 ( -0.858 0.386 4.993) 5.081 5.411 ( 3.848 0.889 -1.907) 4.386 5.523 ( -1.650 1.247 0.900) 2.256 5.542 ( -1.511 0.372 -0.460) 1.623 5.603 ( -0.172 1.164 0.974) 1.528 5.739 ( 0.656 3.378 -0.604) 3.493 5.793 ( 0.536 5.594 2.147) 6.016 5.848 ( -0.180 5.703 0.963) 5.786 5.878 ( 3.945 3.134 -1.562) 5.275 6.002 ( -1.900 1.096 2.782) 3.543 6.115 ( -1.746 0.522 0.912) 2.038 6.562 ( -0.539 1.019 0.793) 1.399 6.742 ( -1.587 -2.212 1.888) 3.313 6.991 ( 0.815 -1.449 -3.276) 3.674 7.027 ( -0.762 -1.377 -2.143) 2.659 ======================= Grid point 98 (43/170) ======================= q-point: ( 0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 7.691 16.411 17.131) 24.939 1.475 ( 9.418 20.901 12.156) 25.948 2.164 ( 6.785 28.824 14.946) 33.170 2.306 ( 4.242 7.320 -4.371) 9.523 2.352 ( -1.321 13.226 2.843) 13.592 2.664 ( 1.806 -4.417 6.318) 7.918 2.896 ( 2.567 1.977 4.619) 5.642 2.906 ( 1.332 3.846 -1.144) 4.228 2.934 ( 0.206 -4.483 1.153) 4.633 3.519 ( -4.019 -5.742 -3.658) 7.906 3.540 ( -3.182 -9.206 -2.856) 10.150 3.597 ( -0.036 -0.420 -5.969) 5.984 3.953 ( 0.472 0.030 0.770) 0.903 4.003 ( -0.818 -5.659 -1.827) 6.002 4.155 ( 3.440 -8.112 -3.862) 9.620 4.294 ( -6.531 -8.831 -1.513) 11.088 4.358 ( 0.295 -4.986 4.370) 6.636 4.591 ( 4.815 -9.798 6.640) 12.778 4.949 ( -1.436 4.293 2.053) 4.970 5.169 ( -0.672 5.315 -3.551) 6.428 5.218 ( 0.402 2.222 2.495) 3.365 5.359 ( 2.146 -3.207 1.518) 4.147 5.453 ( 0.570 1.585 -2.703) 3.185 5.482 ( 0.440 -1.442 -1.969) 2.480 5.530 ( -1.319 1.126 2.152) 2.764 5.604 ( 0.001 0.970 0.376) 1.040 5.756 ( 1.045 3.527 0.985) 3.808 5.831 ( 1.238 4.940 1.945) 5.451 5.880 ( 2.058 5.405 1.052) 5.878 5.939 ( 1.682 -0.644 -0.854) 1.993 6.029 ( 1.941 0.088 4.377) 4.789 6.092 ( -0.853 0.827 -0.283) 1.221 6.560 ( -0.408 0.983 0.897) 1.392 6.735 ( -0.753 -1.826 1.417) 2.431 6.964 ( -0.067 -1.012 -3.843) 3.975 6.982 ( -1.799 -0.611 -1.478) 2.407 ======================= Grid point 99 (44/170) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 4.648 16.392 16.746) 23.890 1.764 ( 9.092 17.907 9.916) 22.397 2.214 ( -6.912 9.767 2.841) 12.298 2.383 ( 6.508 7.927 -3.636) 10.882 2.632 ( 12.422 14.637 8.765) 21.104 2.717 ( 3.841 7.225 8.125) 11.531 2.926 ( 5.401 -0.301 -0.088) 5.410 2.990 ( 3.081 -3.501 3.990) 6.137 3.061 ( 8.503 -2.253 1.049) 8.859 3.347 ( -8.387 -7.326 -2.375) 11.387 3.469 ( -4.127 -0.022 -2.952) 5.074 3.540 ( 1.970 -5.826 -10.324) 12.017 3.933 ( -4.693 -6.618 2.245) 8.417 3.980 ( 0.978 -3.479 -3.070) 4.742 4.134 ( -4.480 -5.924 0.653) 7.456 4.156 ( -2.824 -6.299 -5.021) 8.536 4.456 ( 2.108 -2.089 8.304) 8.818 4.749 ( 4.513 -7.687 6.114) 10.809 4.919 ( -2.522 3.983 2.456) 5.316 5.092 ( -2.647 5.302 -6.472) 8.775 5.242 ( 0.370 1.736 0.768) 1.934 5.337 ( -2.248 0.767 -4.166) 4.795 5.442 ( 0.875 -1.990 -0.434) 2.217 5.472 ( -1.277 -0.877 -0.593) 1.659 5.545 ( 1.521 1.672 0.483) 2.311 5.621 ( 1.344 0.041 0.360) 1.392 5.791 ( 1.174 3.540 1.279) 3.942 5.869 ( 0.868 4.361 1.627) 4.735 5.925 ( 1.761 2.088 -0.924) 2.883 5.946 ( 0.237 2.330 1.850) 2.984 6.063 ( -0.881 1.136 -0.262) 1.461 6.104 ( 0.691 -0.739 1.752) 2.023 6.566 ( -0.063 0.442 1.375) 1.446 6.738 ( -0.020 -1.689 0.932) 1.929 6.927 ( -0.251 -1.251 -3.623) 3.841 6.945 ( -1.114 -0.696 -0.083) 1.316 ======================= Grid point 100 (45/170) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -2.932 13.093 11.336) 17.565 1.993 ( 7.700 13.826 4.857) 16.554 2.123 ( -3.179 12.777 8.488) 15.666 2.406 ( -6.305 11.776 2.943) 13.678 2.674 ( 5.673 0.770 -5.889) 8.213 3.003 ( 5.463 -4.382 1.188) 7.104 3.041 ( 1.690 -6.293 2.998) 7.173 3.152 ( 1.691 -3.787 1.587) 4.441 3.212 ( 1.286 3.140 -3.393) 4.798 3.269 ( 16.026 5.163 7.692) 18.511 3.354 ( -3.567 1.432 -2.278) 4.468 3.483 ( 0.777 -5.793 -8.464) 10.286 3.857 ( -2.211 -7.745 -1.126) 8.132 3.956 ( -2.352 -4.540 -4.767) 6.990 4.049 ( -3.898 -5.285 3.871) 7.623 4.076 ( -4.682 1.599 2.166) 5.401 4.516 ( -2.913 -1.184 3.466) 4.680 4.801 ( 0.361 -1.035 -0.638) 1.268 4.954 ( -3.954 3.787 -10.361) 11.719 4.992 ( 4.202 -2.492 7.924) 9.309 5.216 ( -2.399 1.699 -2.585) 3.915 5.295 ( 0.741 0.974 -0.098) 1.228 5.417 ( -0.811 0.632 -2.784) 2.967 5.473 ( 0.225 -1.792 0.647) 1.919 5.569 ( 0.949 1.132 -0.827) 1.693 5.653 ( 1.536 -1.442 -0.049) 2.107 5.811 ( 0.449 4.183 -0.183) 4.211 5.870 ( -0.940 2.950 -1.078) 3.279 5.950 ( 1.726 -0.047 0.137) 1.732 5.976 ( -0.025 4.189 1.177) 4.351 6.043 ( -0.463 2.260 0.299) 2.326 6.109 ( -1.080 0.238 1.493) 1.858 6.576 ( -0.421 0.206 1.541) 1.611 6.751 ( 0.450 -1.980 1.203) 2.360 6.894 ( -0.078 -1.267 -3.050) 3.304 6.939 ( 0.065 -1.358 0.801) 1.578 ======================= Grid point 101 (46/170) ======================= q-point: (-0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -12.208 12.601 0.901) 17.568 2.143 ( -2.092 9.976 6.848) 12.279 2.222 ( -8.166 12.179 2.369) 14.854 2.274 ( 3.452 14.709 11.957) 19.268 2.735 ( 4.183 -2.628 -8.613) 9.929 2.929 ( -4.955 -9.395 -4.861) 11.681 3.074 ( -2.873 -0.631 -3.223) 4.364 3.138 ( 0.510 -3.744 4.005) 5.506 3.239 ( 1.049 -0.169 -2.631) 2.838 3.345 ( 1.083 1.871 -0.183) 2.170 3.407 ( -3.628 0.496 1.212) 3.858 3.637 ( 11.251 -1.965 5.459) 12.659 3.816 ( -2.720 -7.503 -4.707) 9.265 3.858 ( 0.462 -1.209 -0.470) 1.377 3.990 ( -2.804 3.972 0.727) 4.916 4.135 ( 4.707 -3.536 8.369) 10.232 4.415 ( -5.850 -1.653 -4.448) 7.533 4.772 ( -4.795 1.151 -10.907) 11.970 4.804 ( 0.022 -0.425 -0.680) 0.802 5.139 ( 4.807 -3.262 3.452) 6.757 5.156 ( -1.247 2.853 -2.479) 3.980 5.317 ( 0.742 0.409 0.091) 0.852 5.402 ( 1.632 1.556 -0.492) 2.308 5.471 ( -0.394 -2.000 -0.763) 2.176 5.562 ( -0.308 1.604 -1.964) 2.554 5.664 ( -0.375 -1.883 -0.348) 1.951 5.807 ( -0.159 5.239 -1.386) 5.421 5.840 ( -0.317 1.322 -2.242) 2.622 5.923 ( -2.394 1.583 -2.273) 3.661 6.007 ( 1.925 2.407 0.723) 3.165 6.042 ( -2.129 2.344 2.774) 4.210 6.117 ( 0.615 1.282 1.915) 2.385 6.576 ( -0.822 0.549 1.321) 1.650 6.776 ( 0.421 -2.620 2.282) 3.500 6.872 ( 0.578 -0.743 -2.560) 2.728 6.957 ( 0.766 -1.983 1.054) 2.372 ======================= Grid point 102 (47/170) ======================= q-point: (-0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -13.058 16.005 0.896) 20.675 1.852 ( -19.206 11.115 -3.443) 22.456 2.282 ( -0.105 9.484 7.137) 11.870 2.442 ( 3.003 12.948 8.558) 15.809 2.638 ( -4.243 -6.558 -7.962) 11.154 2.773 ( -9.566 2.337 -1.080) 9.906 2.994 ( -4.463 2.217 -1.309) 5.152 3.088 ( -8.381 2.995 2.636) 9.282 3.241 ( -1.313 -6.984 1.099) 7.190 3.334 ( 0.396 1.196 1.009) 1.614 3.393 ( 1.140 2.504 1.098) 2.962 3.728 ( -0.044 -5.156 -3.653) 6.319 3.846 ( 9.178 -10.516 -0.128) 13.958 3.911 ( 1.556 -1.964 4.346) 5.017 3.984 ( 1.118 2.072 -1.185) 2.636 4.240 ( -3.630 0.939 -8.390) 9.190 4.357 ( 6.271 -7.481 8.602) 13.011 4.600 ( -3.655 -2.294 -8.374) 9.420 4.796 ( 1.028 1.412 -1.936) 2.607 5.116 ( -0.254 3.051 -3.376) 4.558 5.184 ( 0.358 -3.085 -4.309) 5.311 5.362 ( 3.849 0.560 -0.073) 3.890 5.432 ( -1.438 0.781 1.257) 2.064 5.456 ( 1.001 -0.621 -1.114) 1.622 5.539 ( 0.211 1.882 -1.079) 2.180 5.638 ( -1.652 -0.528 -0.132) 1.739 5.782 ( -1.266 4.092 -1.641) 4.587 5.811 ( -0.440 2.069 -2.287) 3.115 5.872 ( -0.414 2.027 -2.279) 3.078 6.008 ( -3.533 2.219 2.180) 4.707 6.040 ( 0.684 2.577 0.742) 2.767 6.148 ( 0.149 1.362 2.347) 2.718 6.570 ( -0.891 0.895 1.133) 1.696 6.797 ( -0.972 -2.948 2.662) 4.089 6.880 ( 2.480 -0.664 -1.453) 2.950 6.984 ( 1.188 -2.107 0.774) 2.539 ======================= Grid point 103 (48/170) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -12.812 18.812 2.457) 22.893 1.438 ( -18.421 15.193 -4.295) 24.261 2.285 ( -6.631 13.472 5.992) 16.167 2.454 ( -4.815 -0.220 -0.160) 4.823 2.503 ( -10.952 11.073 2.823) 15.828 2.621 ( -2.457 8.734 4.096) 9.955 2.899 ( -4.125 -1.174 0.702) 4.346 2.969 ( -6.915 0.080 2.365) 7.309 3.128 ( -9.166 5.308 2.751) 10.944 3.383 ( 4.262 -8.553 -0.589) 9.575 3.498 ( 8.334 0.578 -2.534) 8.730 3.752 ( 3.639 -3.930 -1.579) 5.584 3.954 ( -1.984 -3.375 5.483) 6.737 3.973 ( 2.352 -2.881 -1.525) 4.020 4.024 ( 8.987 -8.984 -5.997) 14.052 4.106 ( -2.047 -1.607 -6.154) 6.682 4.469 ( -2.549 -10.781 1.548) 11.186 4.543 ( 2.720 -6.470 2.185) 7.351 4.826 ( 3.665 3.640 -1.421) 5.358 5.090 ( 0.737 3.511 -2.956) 4.648 5.131 ( -0.004 -2.337 -6.404) 6.817 5.381 ( -0.428 1.980 -4.154) 4.622 5.384 ( -1.875 -0.605 -0.890) 2.162 5.498 ( 2.405 1.953 1.570) 3.473 5.551 ( 0.107 0.461 1.153) 1.246 5.616 ( -0.728 0.463 0.420) 0.959 5.738 ( -1.351 4.458 -0.912) 4.747 5.795 ( 0.104 3.420 -1.337) 3.674 5.853 ( 0.405 2.666 -2.559) 3.717 5.949 ( -4.482 3.354 1.848) 5.896 6.044 ( -0.856 2.022 0.682) 2.299 6.157 ( -1.372 0.873 2.253) 2.779 6.565 ( -0.668 1.043 1.075) 1.640 6.786 ( -2.083 -2.586 1.973) 3.863 6.934 ( 3.574 -1.568 -0.540) 3.940 7.013 ( 1.419 -1.884 0.170) 2.365 ======================= Grid point 104 (49/170) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -12.268 18.314 6.177) 22.892 1.229 ( -4.648 25.993 4.424) 26.773 2.130 ( -14.371 30.080 10.297) 34.891 2.365 ( -5.913 7.382 2.797) 9.863 2.421 ( 0.452 -3.493 2.864) 4.539 2.573 ( -7.258 6.600 1.574) 9.935 2.834 ( -2.233 6.308 0.746) 6.734 2.907 ( -0.472 -7.167 -0.092) 7.183 3.027 ( -5.543 5.989 4.511) 9.324 3.460 ( 5.468 -9.842 -3.481) 11.785 3.608 ( 5.103 -0.561 -2.818) 5.856 3.770 ( -2.612 -3.536 1.214) 4.560 3.939 ( -1.349 0.161 -0.487) 1.443 4.008 ( 3.861 -5.061 -0.484) 6.384 4.051 ( 0.901 -3.745 -3.609) 5.278 4.171 ( 10.505 -10.404 -5.626) 15.819 4.429 ( -2.988 -11.993 2.223) 12.558 4.589 ( -1.335 -11.289 2.848) 11.719 4.888 ( 2.800 3.094 0.394) 4.191 5.087 ( 1.627 -0.417 -2.262) 2.817 5.115 ( 3.201 3.233 -1.615) 4.828 5.316 ( -3.961 4.240 1.715) 6.050 5.372 ( 2.534 0.469 -3.874) 4.653 5.530 ( -0.436 0.089 1.467) 1.533 5.565 ( 0.262 1.649 0.378) 1.712 5.603 ( -1.248 0.825 0.931) 1.762 5.730 ( 0.902 4.605 -0.653) 4.738 5.785 ( -0.602 4.480 0.319) 4.531 5.845 ( 1.361 4.006 -2.449) 4.889 5.881 ( -3.522 4.870 0.978) 6.089 6.024 ( -2.137 1.415 1.553) 2.997 6.140 ( -2.097 0.470 1.812) 2.811 6.564 ( -0.455 1.031 0.968) 1.486 6.761 ( -2.179 -2.485 1.953) 3.839 6.984 ( 2.473 -1.876 -1.965) 3.674 7.036 ( 1.082 -1.933 -0.870) 2.380 ======================= Grid point 105 (50/170) ======================= q-point: ( 0.00 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 4.405 19.337 13.937) 24.240 1.767 ( 2.527 24.755 4.650) 25.314 2.154 ( 2.441 -15.584 6.737) 17.152 2.469 ( -0.575 0.036 4.266) 4.305 2.592 ( 2.102 9.873 -1.524) 10.209 2.667 ( -4.589 8.349 1.239) 9.607 2.919 ( -2.714 21.662 5.100) 22.419 2.950 ( 0.426 2.991 -0.909) 3.154 3.039 ( -5.653 1.174 3.898) 6.967 3.353 ( 4.579 -5.261 -5.147) 8.668 3.542 ( -6.460 -6.244 1.851) 9.173 3.654 ( 1.202 -0.594 -2.104) 2.495 3.877 ( 1.771 -9.068 -4.162) 10.133 3.923 ( -0.203 -4.464 -4.632) 6.436 4.000 ( 0.787 -2.496 -2.136) 3.379 4.178 ( 2.993 -5.275 3.010) 6.770 4.202 ( 1.581 -7.583 4.377) 8.898 4.285 ( -3.486 -12.726 4.473) 13.932 5.001 ( 1.905 3.744 1.929) 4.623 5.128 ( 3.857 -2.617 2.923) 5.501 5.259 ( 4.565 4.169 -2.006) 6.500 5.344 ( -2.518 3.371 1.083) 4.345 5.411 ( 2.879 0.143 -1.689) 3.341 5.526 ( -1.429 -1.831 2.096) 3.129 5.562 ( -1.043 2.011 -2.624) 3.466 5.615 ( -0.226 -0.120 -0.754) 0.796 5.805 ( 0.392 3.356 -0.259) 3.389 5.874 ( 0.638 1.709 0.642) 1.934 5.925 ( 1.151 2.425 0.239) 2.695 5.941 ( 0.079 3.361 0.924) 3.487 6.042 ( -1.452 3.010 2.641) 4.259 6.120 ( -1.560 -0.251 1.167) 1.964 6.594 ( -0.524 2.305 0.842) 2.510 6.697 ( -1.030 -2.516 1.419) 3.067 6.965 ( 0.765 -0.982 -2.958) 3.210 6.992 ( -0.077 -1.985 -2.113) 2.900 ======================= Grid point 106 (51/170) ======================= q-point: ( 0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 9.387 15.467 14.994) 23.498 1.894 ( 4.739 21.597 8.288) 23.613 2.311 ( 6.934 -9.476 7.174) 13.760 2.489 ( -2.016 7.723 2.549) 8.379 2.618 ( 2.634 2.657 2.880) 4.721 2.663 ( 1.826 4.787 -0.265) 5.130 2.933 ( -3.234 5.300 2.693) 6.767 2.963 ( 3.230 0.644 -2.742) 4.285 3.012 ( 2.059 16.032 5.849) 17.190 3.380 ( 0.982 -5.309 -3.076) 6.214 3.423 ( -4.199 -1.641 -1.793) 4.852 3.631 ( -1.304 2.368 -4.091) 4.904 3.845 ( -2.255 -9.665 -1.831) 10.092 3.883 ( 0.368 -8.521 -4.457) 9.624 4.019 ( 2.932 -5.921 -2.525) 7.073 4.105 ( -7.374 -9.926 0.357) 12.371 4.305 ( 3.312 -1.212 7.273) 8.083 4.396 ( 5.532 -8.518 8.696) 13.371 5.043 ( -0.120 5.191 2.293) 5.676 5.210 ( 1.627 -2.238 1.467) 3.132 5.291 ( -2.166 5.205 -0.922) 5.713 5.331 ( 2.980 1.285 -0.281) 3.258 5.448 ( 1.622 -1.169 -1.252) 2.359 5.473 ( -2.435 -0.730 -3.501) 4.326 5.550 ( -0.002 1.110 1.405) 1.791 5.605 ( -0.181 -0.823 -0.121) 0.851 5.818 ( 1.081 3.040 0.169) 3.231 5.895 ( 0.996 0.219 0.248) 1.049 5.949 ( 0.571 2.919 1.249) 3.226 5.970 ( 1.554 3.297 1.706) 4.024 6.060 ( 0.578 2.205 2.760) 3.580 6.105 ( -0.723 0.261 0.246) 0.807 6.592 ( -0.400 2.399 0.780) 2.554 6.696 ( -0.409 -2.330 1.136) 2.624 6.938 ( -0.500 -1.124 -3.176) 3.406 6.959 ( -1.157 -1.636 -2.106) 2.907 ======================= Grid point 107 (52/170) ======================= q-point: ( 0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 6.232 15.221 11.514) 20.077 2.086 ( 6.579 16.581 9.226) 20.083 2.429 ( -4.835 11.647 -0.096) 12.611 2.511 ( 8.630 0.718 2.044) 8.898 2.697 ( 2.319 1.513 2.272) 3.581 2.756 ( 4.540 -8.219 7.242) 11.858 2.851 ( -4.821 -4.059 -0.360) 6.313 3.016 ( 2.932 -5.827 -3.214) 7.272 3.204 ( 10.306 21.238 8.014) 24.930 3.286 ( -4.236 1.167 -0.526) 4.425 3.428 ( 3.630 0.122 -4.480) 5.767 3.525 ( -4.036 1.960 -7.740) 8.946 3.767 ( -3.333 -8.871 -2.980) 9.934 3.864 ( -0.705 -8.209 0.886) 8.286 3.978 ( -5.052 -8.188 -0.266) 9.624 4.055 ( 1.777 -6.676 -0.169) 6.910 4.451 ( 4.240 0.995 7.914) 9.033 4.591 ( 6.683 -7.648 7.877) 12.853 5.019 ( -3.808 5.961 0.719) 7.110 5.168 ( -3.651 1.542 -6.053) 7.235 5.269 ( -0.814 1.124 1.872) 2.330 5.332 ( -1.453 -0.851 -3.995) 4.335 5.423 ( 0.694 0.202 -0.948) 1.192 5.455 ( -0.175 -0.722 -0.760) 1.063 5.571 ( 1.179 1.024 0.457) 1.627 5.611 ( 0.410 -1.083 0.635) 1.320 5.846 ( 1.556 2.375 -0.002) 2.840 5.912 ( 1.014 -1.086 -0.634) 1.615 5.967 ( 0.087 4.774 1.461) 4.994 6.020 ( 1.507 3.121 2.433) 4.234 6.083 ( -0.701 0.884 0.591) 1.274 6.104 ( 0.423 0.214 0.874) 0.995 6.594 ( -0.260 2.353 0.918) 2.539 6.700 ( -0.094 -2.332 0.926) 2.510 6.898 ( -0.781 -1.181 -2.622) 2.980 6.922 ( -0.877 -1.658 -1.337) 2.304 ======================= Grid point 108 (53/170) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -2.120 16.391 6.044) 17.599 2.241 ( 4.094 12.823 3.185) 13.832 2.386 ( 1.552 12.523 6.407) 14.152 2.626 ( -0.591 10.229 -0.979) 10.293 2.699 ( -1.481 0.175 -1.481) 2.102 2.817 ( 0.778 -12.332 -1.864) 12.497 2.884 ( 1.405 -8.211 5.724) 10.108 2.997 ( 0.563 -9.138 1.148) 9.227 3.294 ( 5.530 -0.296 -2.042) 5.902 3.342 ( -6.360 0.589 -5.268) 8.280 3.431 ( 4.354 3.006 -5.393) 7.555 3.492 ( 4.487 9.460 6.927) 12.554 3.702 ( 0.704 -5.452 -2.963) 6.244 3.880 ( -0.519 -6.451 7.163) 9.654 3.911 ( -0.876 -4.121 -2.724) 5.017 4.077 ( -1.080 -2.417 3.104) 4.079 4.559 ( -0.182 4.421 3.668) 5.747 4.752 ( 3.848 -4.458 2.320) 6.329 4.960 ( -0.929 0.056 1.478) 1.747 5.000 ( -6.157 0.785 -8.967) 10.905 5.246 ( -1.644 1.379 -1.593) 2.673 5.294 ( -0.062 -0.975 0.282) 1.017 5.426 ( 0.358 0.431 -1.788) 1.874 5.445 ( -0.279 -0.867 -0.097) 0.916 5.592 ( 0.863 1.125 -0.475) 1.496 5.626 ( 0.690 -1.218 0.060) 1.401 5.867 ( 1.208 2.017 -1.368) 2.721 5.920 ( 0.605 0.019 -1.420) 1.543 5.979 ( 0.005 4.314 0.381) 4.331 6.046 ( -1.149 2.902 0.606) 3.179 6.081 ( 0.699 1.308 1.670) 2.234 6.110 ( -0.662 -0.346 1.259) 1.464 6.598 ( -0.270 2.166 1.241) 2.511 6.708 ( 0.048 -2.592 1.099) 2.815 6.869 ( -0.135 -0.872 -1.903) 2.097 6.906 ( -0.030 -2.030 -0.396) 2.068 ======================= Grid point 109 (54/170) ======================= q-point: (-0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -8.273 17.591 -2.303) 19.575 2.353 ( -2.182 11.713 4.428) 12.711 2.443 ( -7.635 10.544 -0.593) 13.032 2.540 ( 3.650 10.892 8.073) 14.040 2.686 ( -3.505 -4.125 -8.268) 9.882 2.705 ( -1.797 -12.334 -5.882) 13.782 2.980 ( 3.345 -7.649 4.118) 9.309 3.068 ( 0.200 -4.709 6.034) 7.656 3.223 ( 0.662 0.447 -5.024) 5.087 3.397 ( 0.341 4.075 -0.615) 4.135 3.421 ( 4.622 -1.130 -1.627) 5.028 3.549 ( -0.381 -5.995 -0.700) 6.047 3.718 ( -1.066 -1.342 2.561) 3.081 3.875 ( -1.759 -2.409 1.676) 3.421 4.019 ( 5.336 0.115 5.791) 7.876 4.073 ( -1.898 0.460 6.051) 6.358 4.471 ( -6.630 6.373 -5.254) 10.592 4.732 ( -6.862 -4.739 -6.579) 10.622 4.836 ( 0.530 3.215 -3.735) 4.957 5.042 ( 5.158 -6.256 -0.171) 8.110 5.213 ( -0.485 2.908 -1.239) 3.198 5.309 ( 1.068 -1.453 0.261) 1.822 5.423 ( 0.910 0.597 -0.140) 1.098 5.441 ( 0.231 -0.920 -0.547) 1.095 5.592 ( -0.155 1.420 -1.243) 1.894 5.631 ( 0.051 -1.234 -0.595) 1.371 5.865 ( 0.256 1.688 -2.438) 2.976 5.909 ( -0.100 2.447 -1.582) 2.915 5.948 ( -2.075 2.808 -2.211) 4.133 6.042 ( 0.386 0.671 -0.533) 0.940 6.089 ( -1.453 2.466 3.199) 4.292 6.135 ( 1.016 0.400 2.302) 2.548 6.604 ( -0.473 2.322 1.404) 2.754 6.722 ( 0.030 -3.060 1.707) 3.504 6.859 ( 0.711 -0.293 -1.492) 1.678 6.913 ( 0.759 -2.486 0.180) 2.606 ======================= Grid point 110 (55/170) ======================= q-point: (-0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -8.643 19.747 -2.426) 21.692 2.076 ( -15.759 12.476 -5.936) 20.958 2.453 ( -5.156 -4.139 -5.073) 8.334 2.495 ( -3.123 3.968 0.864) 5.123 2.618 ( -2.239 -10.531 -2.491) 11.051 2.691 ( 3.555 6.955 4.784) 9.159 3.070 ( 2.596 -3.747 1.754) 4.884 3.089 ( -3.422 -0.536 7.754) 8.492 3.228 ( -0.006 9.527 -2.030) 9.741 3.387 ( -4.981 1.984 0.758) 5.415 3.416 ( 0.818 -0.720 1.855) 2.151 3.596 ( 5.439 -8.866 -4.781) 11.448 3.719 ( 1.838 0.367 1.281) 2.271 3.885 ( -1.021 -1.634 6.217) 6.509 4.025 ( -2.874 2.081 2.366) 4.265 4.174 ( -0.816 -7.092 4.587) 8.485 4.301 ( -3.633 2.175 -5.258) 6.751 4.507 ( -8.016 -7.119 -7.254) 12.945 4.861 ( 3.884 5.217 -2.973) 7.151 5.094 ( 2.868 -5.278 -5.068) 7.859 5.187 ( -0.417 3.423 -3.123) 4.653 5.330 ( 1.790 -3.323 -2.527) 4.542 5.452 ( 0.687 1.343 1.137) 1.889 5.466 ( 2.127 0.672 1.779) 2.853 5.571 ( -0.397 1.620 -1.164) 2.034 5.621 ( -0.356 -0.949 -0.467) 1.116 5.836 ( -0.910 2.034 -2.000) 2.994 5.892 ( -0.727 0.223 -1.890) 2.038 5.900 ( 0.072 5.475 -1.718) 5.738 6.026 ( -1.290 -0.522 -0.578) 1.507 6.098 ( -1.021 3.287 2.870) 4.482 6.165 ( -0.268 0.199 2.443) 2.466 6.604 ( -0.709 2.659 1.290) 3.039 6.735 ( -0.753 -3.480 2.217) 4.194 6.872 ( 2.141 0.073 -1.333) 2.524 6.936 ( 1.497 -2.702 0.243) 3.098 ======================= Grid point 111 (56/170) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -13.693 17.273 -3.158) 22.267 1.799 ( -7.132 21.590 -2.420) 22.866 2.240 ( -7.575 -14.557 -4.954) 17.141 2.493 ( -2.365 5.898 2.399) 6.792 2.567 ( -0.745 -7.128 -1.096) 7.250 2.782 ( 1.328 6.123 3.631) 7.241 3.038 ( -6.541 5.946 5.004) 10.158 3.110 ( -6.398 11.444 1.937) 13.253 3.155 ( -3.962 6.554 5.900) 9.668 3.295 ( -3.120 -0.182 -0.405) 3.152 3.497 ( 5.594 -3.066 -0.658) 6.412 3.639 ( 3.419 -6.329 -1.924) 7.446 3.828 ( 8.354 -5.258 -2.945) 10.301 3.917 ( -2.527 0.527 6.895) 7.362 4.002 ( 0.040 0.643 -0.736) 0.978 4.088 ( -2.963 -0.913 -5.356) 6.188 4.235 ( -5.196 -11.999 0.437) 13.083 4.363 ( -3.227 -11.755 1.031) 12.233 4.914 ( 3.774 5.067 -2.535) 6.808 5.076 ( 0.796 -3.231 -5.408) 6.349 5.166 ( 1.836 4.271 -3.347) 5.729 5.331 ( 2.056 -3.630 -4.200) 5.920 5.448 ( -1.467 3.498 -0.347) 3.809 5.516 ( 0.964 0.097 1.137) 1.494 5.576 ( 1.030 1.583 0.716) 2.019 5.618 ( 0.073 -0.258 0.272) 0.382 5.809 ( -0.345 2.942 -1.055) 3.144 5.869 ( -0.280 2.010 -0.902) 2.221 5.897 ( 0.835 3.352 -1.517) 3.773 5.991 ( -2.165 0.505 0.178) 2.230 6.090 ( -2.141 2.956 2.233) 4.278 6.165 ( -1.869 -0.221 2.294) 2.967 6.601 ( -0.752 2.697 1.110) 3.012 6.729 ( -1.773 -3.304 1.997) 4.248 6.915 ( 3.291 -0.321 -1.392) 3.588 6.970 ( 1.846 -2.528 -0.252) 3.140 ======================= Grid point 112 (57/170) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -7.888 19.879 4.450) 21.845 1.725 ( -1.094 25.268 1.234) 25.322 2.120 ( -3.061 -16.982 1.546) 17.325 2.465 ( -2.081 0.296 2.375) 3.171 2.565 ( 1.061 2.565 -0.421) 2.808 2.773 ( -5.632 8.036 2.006) 10.016 2.955 ( -3.814 6.741 1.927) 7.982 2.987 ( -7.128 21.424 4.504) 23.024 3.111 ( -6.118 2.465 5.386) 8.516 3.304 ( 4.338 -4.206 -3.447) 6.957 3.578 ( 2.125 -5.269 0.694) 5.723 3.661 ( -0.491 -6.062 -0.790) 6.133 3.873 ( 1.248 -4.825 -3.365) 6.013 3.975 ( -1.009 0.936 -3.975) 4.207 4.002 ( 6.053 -1.575 -2.653) 6.794 4.043 ( 1.740 -2.742 1.681) 3.657 4.173 ( -2.010 -13.606 3.834) 14.278 4.333 ( -3.300 -14.499 3.150) 15.200 4.954 ( 2.259 3.602 -0.470) 4.278 5.062 ( 1.807 -1.836 -1.624) 3.045 5.197 ( 3.771 4.678 -2.214) 6.403 5.346 ( 2.501 -2.242 -2.461) 4.164 5.410 ( -1.641 4.554 -0.599) 4.877 5.526 ( -0.714 -0.807 1.752) 2.057 5.592 ( 0.163 1.315 -1.143) 1.750 5.621 ( -0.066 0.433 0.152) 0.464 5.803 ( 0.315 3.319 -0.620) 3.391 5.864 ( 0.025 2.246 0.169) 2.252 5.905 ( 1.163 2.961 -0.863) 3.296 5.953 ( -1.853 2.144 0.527) 2.882 6.063 ( -2.691 2.803 2.355) 4.544 6.143 ( -2.202 -0.436 1.870) 2.922 6.597 ( -0.624 2.441 0.972) 2.701 6.710 ( -1.720 -2.871 1.664) 3.738 6.957 ( 2.493 -0.819 -2.159) 3.398 6.995 ( 1.316 -2.264 -1.214) 2.886 ======================= Grid point 113 (58/170) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 3.145 -18.979 10.233) 21.790 1.814 ( 3.145 18.979 10.233) 21.790 2.204 ( 1.996 -20.374 3.148) 20.712 2.204 ( 1.996 20.374 3.148) 20.712 2.782 ( 1.754 -5.181 -1.217) 5.604 2.782 ( 1.754 5.181 -1.217) 5.604 2.945 ( -5.562 -5.428 0.506) 7.788 2.945 ( -5.562 5.428 0.506) 7.788 3.361 ( -0.208 -4.839 -0.535) 4.873 3.361 ( -0.208 4.839 -0.535) 4.873 3.486 ( -0.525 -12.237 3.051) 12.623 3.486 ( -0.525 12.237 3.051) 12.623 3.810 ( -0.987 -3.615 -5.316) 6.504 3.810 ( -0.987 3.615 -5.316) 6.504 4.036 ( -2.846 -6.648 -0.150) 7.233 4.036 ( -2.846 6.648 -0.150) 7.233 4.160 ( 3.925 -1.188 5.988) 7.258 4.160 ( 3.925 1.188 5.988) 7.258 5.070 ( 2.810 -3.354 2.298) 4.942 5.070 ( 2.810 3.354 2.298) 4.942 5.333 ( 3.136 -3.188 -1.366) 4.676 5.333 ( 3.136 3.188 -1.366) 4.676 5.467 ( -1.482 -4.076 0.486) 4.364 5.467 ( -1.482 4.076 0.486) 4.364 5.598 ( -0.395 -1.578 -2.054) 2.620 5.598 ( -0.395 1.578 -2.054) 2.620 5.861 ( 0.246 -2.236 0.073) 2.250 5.861 ( 0.246 2.236 0.073) 2.250 5.965 ( 0.440 -0.840 1.285) 1.596 5.965 ( 0.440 0.840 1.285) 1.596 6.097 ( -1.319 -2.242 1.645) 3.077 6.097 ( -1.319 2.242 1.645) 3.077 6.645 ( -0.654 -2.871 1.030) 3.120 6.645 ( -0.654 2.871 1.030) 3.120 6.962 ( 0.357 -0.844 -2.469) 2.634 6.962 ( 0.357 0.844 -2.469) 2.634 ======================= Grid point 115 (59/170) ======================= q-point: ( 0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 7.257 -14.411 11.258) 19.674 2.022 ( 7.257 14.411 11.258) 19.674 2.311 ( 4.667 -17.148 7.021) 19.108 2.311 ( 4.667 17.148 7.021) 19.108 2.778 ( -2.333 -9.448 0.068) 9.732 2.778 ( -2.333 9.448 0.068) 9.732 2.871 ( -0.118 -8.572 -4.162) 9.530 2.871 ( -0.118 8.572 -4.162) 9.530 3.358 ( -0.054 -2.978 0.349) 2.999 3.358 ( -0.054 2.978 0.349) 2.999 3.532 ( 2.135 -17.354 4.705) 18.107 3.532 ( 2.135 17.354 4.705) 18.107 3.730 ( -1.870 -3.871 -7.565) 8.701 3.730 ( -1.870 3.871 -7.565) 8.701 3.969 ( -3.170 -2.479 -1.065) 4.163 3.969 ( -3.170 2.479 -1.065) 4.163 4.307 ( 4.814 -1.648 8.595) 9.988 4.307 ( 4.814 1.648 8.595) 9.988 5.137 ( 1.180 -4.592 2.588) 5.401 5.137 ( 1.180 4.592 2.588) 5.401 5.358 ( -0.306 -0.641 -0.967) 1.200 5.358 ( -0.306 0.641 -0.967) 1.200 5.441 ( 0.025 -1.455 -2.139) 2.587 5.441 ( 0.025 1.455 -2.139) 2.587 5.579 ( -0.106 -1.737 -0.378) 1.781 5.579 ( -0.106 1.737 -0.378) 1.781 5.869 ( 0.665 -2.216 0.003) 2.313 5.869 ( 0.665 2.216 0.003) 2.313 5.995 ( 1.150 -0.889 1.883) 2.379 5.995 ( 1.150 0.889 1.883) 2.379 6.096 ( -0.345 -1.298 1.294) 1.865 6.096 ( -0.345 1.298 1.294) 1.865 6.645 ( -0.311 -2.896 0.877) 3.042 6.645 ( -0.311 2.896 0.877) 3.042 6.933 ( -0.834 -0.713 -2.615) 2.837 6.933 ( -0.834 0.713 -2.615) 2.837 ======================= Grid point 117 (60/170) ======================= q-point: ( 0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 6.885 -8.022 7.695) 13.075 2.244 ( 6.885 8.022 7.695) 13.075 2.494 ( 5.697 -9.972 9.160) 14.691 2.494 ( 5.697 9.972 9.160) 14.691 2.700 ( -4.402 -10.252 -0.487) 11.168 2.700 ( -4.402 10.252 -0.487) 11.168 2.858 ( 2.082 -10.365 -4.785) 11.604 2.858 ( 2.082 10.365 -4.785) 11.604 3.351 ( -2.028 -4.410 1.031) 4.962 3.351 ( -2.028 4.410 1.031) 4.962 3.602 ( -0.748 -3.709 -6.346) 7.388 3.602 ( -0.748 3.709 -6.346) 7.388 3.655 ( 1.984 -11.839 4.432) 12.796 3.655 ( 1.984 11.839 4.432) 12.796 3.921 ( -0.038 -3.985 -1.109) 4.136 3.921 ( -0.038 3.985 -1.109) 4.136 4.488 ( 6.035 -3.226 8.292) 10.751 4.488 ( 6.035 3.226 8.292) 10.751 5.127 ( -3.770 -4.823 -1.212) 6.241 5.127 ( -3.770 4.823 -1.212) 6.241 5.305 ( -2.153 -2.127 -2.156) 3.716 5.305 ( -2.153 2.127 -2.156) 3.716 5.440 ( 0.710 -1.063 -1.172) 1.734 5.440 ( 0.710 1.063 -1.172) 1.734 5.589 ( 0.862 -1.010 0.476) 1.411 5.589 ( 0.862 1.010 0.476) 1.411 5.885 ( 1.144 -1.750 -0.490) 2.147 5.885 ( 1.144 1.750 -0.490) 2.147 6.035 ( 1.173 -1.801 1.805) 2.806 6.035 ( 1.173 1.801 1.805) 2.806 6.099 ( -0.556 -0.799 0.904) 1.328 6.099 ( -0.556 0.799 0.904) 1.328 6.648 ( -0.206 -3.051 0.793) 3.159 6.648 ( -0.206 3.051 0.793) 3.159 6.895 ( -0.848 -0.870 -1.971) 2.316 6.895 ( -0.848 0.870 -1.971) 2.316 ======================= Grid point 119 (61/170) ======================= q-point: ( 0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 4.796 -6.333 5.344) 9.574 2.419 ( 4.796 6.333 5.344) 9.574 2.528 ( -3.846 -12.235 -2.383) 13.045 2.528 ( -3.846 12.235 -2.383) 13.045 2.733 ( 2.328 -6.111 4.911) 8.178 2.733 ( 2.328 6.111 4.911) 8.178 2.840 ( -0.216 -6.696 -0.837) 6.751 2.840 ( -0.216 6.696 -0.837) 6.751 3.298 ( -1.205 -3.087 -2.630) 4.231 3.298 ( -1.205 3.087 -2.630) 4.231 3.534 ( -0.577 -4.607 -4.526) 6.483 3.534 ( -0.577 4.607 -4.526) 6.483 3.723 ( -0.926 -6.594 6.225) 9.116 3.723 ( -0.926 6.594 6.225) 9.116 3.976 ( 4.907 -7.148 1.434) 8.788 3.976 ( 4.907 7.148 1.434) 8.788 4.653 ( 4.015 -5.260 4.263) 7.872 4.653 ( 4.015 5.260 4.263) 7.872 4.986 ( -6.272 -1.838 -5.042) 8.255 4.986 ( -6.272 1.838 -5.042) 8.255 5.270 ( -0.599 -1.290 -0.363) 1.467 5.270 ( -0.599 1.290 -0.363) 1.467 5.435 ( -0.197 -0.479 -0.832) 0.980 5.435 ( -0.197 0.479 -0.832) 0.980 5.609 ( 0.929 -0.698 -0.245) 1.188 5.609 ( 0.929 0.698 -0.245) 1.188 5.901 ( 1.251 -1.513 -1.437) 2.433 5.901 ( 1.251 1.513 -1.437) 2.433 6.055 ( -0.418 -2.605 -0.756) 2.745 6.055 ( -0.418 2.605 -0.756) 2.745 6.098 ( -0.342 -0.940 2.569) 2.756 6.098 ( -0.342 0.940 2.569) 2.756 6.652 ( -0.171 -3.172 1.018) 3.336 6.652 ( -0.171 3.172 1.018) 3.336 6.872 ( -0.075 -1.221 -1.097) 1.643 6.872 ( -0.075 1.221 -1.097) 1.643 ======================= Grid point 121 (62/170) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( -5.956 -17.229 -3.412) 18.546 2.371 ( -5.956 17.229 -3.412) 18.546 2.562 ( -1.449 -8.063 0.254) 8.196 2.562 ( -1.449 8.063 0.254) 8.196 2.631 ( -3.955 -4.936 -3.454) 7.207 2.631 ( -3.955 4.936 -3.454) 7.207 2.942 ( 3.817 -5.383 7.461) 9.960 2.942 ( 3.817 5.383 7.461) 9.960 3.310 ( 5.043 -7.301 -3.409) 9.506 3.310 ( 5.043 7.301 -3.409) 9.506 3.477 ( -3.185 -3.181 -0.359) 4.516 3.477 ( -3.185 3.181 -0.359) 4.516 3.760 ( 0.388 -5.742 4.125) 7.081 3.760 ( 0.388 5.742 4.125) 7.081 4.067 ( 0.736 -2.127 4.723) 5.232 4.067 ( 0.736 2.127 4.723) 5.232 4.611 ( -7.898 -7.450 -5.652) 12.240 4.611 ( -7.898 7.450 -5.652) 12.240 4.922 ( 3.359 -5.755 -2.123) 6.994 4.922 ( 3.359 5.755 -2.123) 6.994 5.267 ( 0.347 -2.681 -0.636) 2.777 5.267 ( 0.347 2.681 -0.636) 2.777 5.431 ( 0.684 -0.383 0.051) 0.786 5.431 ( 0.684 0.383 0.051) 0.786 5.614 ( 0.099 -0.887 -0.970) 1.318 5.614 ( 0.099 0.887 -0.970) 1.318 5.898 ( 0.108 -1.658 -2.165) 2.729 5.898 ( 0.108 1.658 -2.165) 2.729 6.021 ( -1.175 -2.906 -1.784) 3.607 6.021 ( -1.175 2.906 -1.784) 3.607 6.127 ( 0.225 -1.274 3.110) 3.369 6.127 ( 0.225 1.274 3.110) 3.369 6.660 ( -0.196 -3.335 1.406) 3.624 6.660 ( -0.196 3.335 1.406) 3.624 6.871 ( 0.742 -1.584 -0.569) 1.840 6.871 ( 0.742 1.584 -0.569) 1.840 ======================= Grid point 123 (63/170) ======================= q-point: (-0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -9.592 -15.742 -4.821) 19.054 2.201 ( -9.592 15.742 -4.821) 19.054 2.340 ( -7.950 -14.194 -6.533) 17.531 2.340 ( -7.950 14.194 -6.533) 17.531 2.687 ( 2.083 -8.488 2.564) 9.108 2.687 ( 2.083 8.488 2.564) 9.108 3.066 ( 2.419 -4.081 6.728) 8.232 3.066 ( 2.419 4.081 6.728) 8.232 3.371 ( -0.282 -3.900 0.178) 3.914 3.371 ( -0.282 3.900 0.178) 3.914 3.437 ( 2.549 -5.961 -2.274) 6.871 3.437 ( 2.549 5.961 -2.274) 6.871 3.810 ( 1.019 -6.245 4.190) 7.590 3.810 ( 1.019 6.245 4.190) 7.590 4.077 ( -4.195 -3.616 5.700) 7.948 4.077 ( -4.195 3.616 5.700) 7.948 4.372 ( -9.272 -5.700 -7.737) 13.354 4.372 ( -9.272 5.700 -7.737) 13.354 4.978 ( 4.342 -6.516 -3.981) 8.783 4.978 ( 4.342 6.516 -3.981) 8.783 5.258 ( 0.602 -3.929 -3.167) 5.082 5.258 ( 0.602 3.929 -3.167) 5.082 5.470 ( 2.000 -0.350 1.732) 2.668 5.470 ( 2.000 0.350 1.732) 2.668 5.600 ( -0.242 -1.342 -0.982) 1.680 5.600 ( -0.242 1.342 -0.982) 1.680 5.874 ( -0.476 -1.755 -1.791) 2.552 5.874 ( -0.476 1.755 -1.791) 2.552 5.989 ( -0.656 -3.383 -1.457) 3.742 5.989 ( -0.656 3.383 -1.457) 3.742 6.149 ( -0.808 -1.866 2.757) 3.426 6.149 ( -0.808 1.866 2.757) 3.426 6.666 ( -0.610 -3.606 1.539) 3.968 6.666 ( -0.610 3.606 1.539) 3.968 6.890 ( 1.777 -1.849 -0.445) 2.603 6.890 ( 1.777 1.849 -0.445) 2.603 ======================= Grid point 125 (64/170) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -11.202 -16.325 -4.438) 20.290 1.938 ( -11.202 16.325 -4.438) 20.290 2.212 ( -2.861 -20.307 -2.103) 20.616 2.212 ( -2.861 20.307 -2.103) 20.616 2.728 ( 1.101 -9.829 0.740) 9.918 2.728 ( 1.101 9.829 0.740) 9.918 3.127 ( -3.258 -1.730 6.297) 7.298 3.127 ( -3.258 1.730 6.297) 7.298 3.339 ( -0.662 -5.846 0.358) 5.894 3.339 ( -0.662 5.846 0.358) 5.894 3.486 ( 2.065 -10.977 -1.292) 11.244 3.486 ( 2.065 10.977 -1.292) 11.244 3.879 ( 2.317 -7.964 4.123) 9.262 3.879 ( 2.317 7.964 4.123) 9.262 4.026 ( -4.399 -3.819 1.492) 6.014 4.026 ( -4.399 3.819 1.492) 6.014 4.167 ( -5.689 -6.081 -3.905) 9.198 4.167 ( -5.689 6.081 -3.905) 9.198 5.005 ( 2.373 -4.304 -3.975) 6.321 5.005 ( 2.373 4.304 -3.975) 6.321 5.251 ( 2.323 -4.546 -3.619) 6.257 5.251 ( 2.323 4.546 -3.619) 6.257 5.501 ( -0.099 -1.780 0.439) 1.836 5.501 ( -0.099 1.780 0.439) 1.836 5.603 ( 0.958 -1.231 -0.008) 1.559 5.603 ( 0.958 1.231 -0.008) 1.559 5.858 ( 0.035 -2.015 -0.843) 2.185 5.858 ( 0.035 2.015 -0.843) 2.185 5.968 ( -0.599 -2.771 -0.650) 2.909 5.968 ( -0.599 2.771 -0.650) 2.909 6.143 ( -2.195 -2.133 2.365) 3.868 6.143 ( -2.195 2.133 2.365) 3.868 6.662 ( -1.113 -3.542 1.376) 3.959 6.662 ( -1.113 3.542 1.376) 3.959 6.927 ( 2.481 -1.629 -0.820) 3.079 6.927 ( 2.481 1.629 -0.820) 3.079 ======================= Grid point 127 (65/170) ======================= q-point: (-0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -4.979 -19.406 2.913) 20.245 1.768 ( -4.979 19.406 2.913) 20.245 2.174 ( -0.450 -21.231 0.392) 21.239 2.174 ( -0.450 21.231 0.392) 21.239 2.754 ( 1.722 -9.595 -0.588) 9.766 2.754 ( 1.722 9.595 -0.588) 9.766 3.056 ( -7.481 -6.043 3.463) 10.221 3.056 ( -7.481 6.043 3.463) 10.221 3.358 ( 1.219 -3.632 -0.042) 3.832 3.358 ( 1.219 3.632 -0.042) 3.832 3.486 ( -1.466 -11.718 1.710) 11.933 3.486 ( -1.466 11.718 1.710) 11.933 3.886 ( -2.777 -7.246 -3.403) 8.473 3.886 ( -2.777 7.246 -3.403) 8.473 4.028 ( 3.679 -1.642 3.039) 5.046 4.028 ( 3.679 1.642 3.039) 5.046 4.092 ( -2.060 -8.982 0.973) 9.266 4.092 ( -2.060 8.982 0.973) 9.266 5.017 ( 1.936 -2.860 -1.117) 3.629 5.017 ( 1.936 2.860 -1.117) 3.629 5.283 ( 3.617 -4.142 -2.459) 6.024 5.283 ( 3.617 4.142 -2.459) 6.024 5.488 ( -1.317 -3.239 0.569) 3.542 5.488 ( -1.317 3.239 0.569) 3.542 5.614 ( 0.389 -0.944 -1.118) 1.514 5.614 ( 0.389 0.944 -1.118) 1.514 5.857 ( 0.237 -2.088 -0.198) 2.110 5.857 ( 0.237 2.088 -0.198) 2.110 5.957 ( -0.358 -1.632 0.382) 1.714 5.957 ( -0.358 1.632 0.382) 1.714 6.117 ( -2.350 -2.341 2.002) 3.874 6.117 ( -2.350 2.341 2.002) 3.874 6.652 ( -1.060 -3.140 1.181) 3.518 6.652 ( -1.060 3.140 1.181) 3.518 6.960 ( 1.865 -1.149 -1.671) 2.755 6.960 ( 1.865 1.149 -1.671) 2.755 ======================= Grid point 153 (66/170) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 8.028 0.000 20.648) 22.154 1.037 ( -9.180 0.000 23.258) 25.004 1.863 ( -5.345 0.000 40.912) 41.260 2.052 ( -4.466 0.000 -6.680) 8.036 2.227 ( -0.516 0.000 -1.807) 1.879 2.704 ( -3.555 0.000 5.566) 6.605 2.886 ( -9.796 0.000 8.319) 12.852 2.995 ( 5.627 0.000 6.948) 8.941 3.049 ( 1.517 0.000 5.375) 5.585 3.512 ( 1.254 0.000 -7.451) 7.556 3.684 ( 0.582 0.000 -6.083) 6.111 3.701 ( 1.978 0.000 -5.221) 5.583 3.914 ( -1.949 0.000 1.855) 2.691 4.079 ( 0.552 0.000 -0.715) 0.903 4.236 ( 2.076 0.000 -11.515) 11.700 4.426 ( 4.789 0.000 3.668) 6.032 4.587 ( -6.707 0.000 -6.638) 9.436 4.680 ( 9.585 0.000 0.679) 9.609 4.930 ( -0.032 0.000 1.871) 1.871 5.173 ( -3.699 0.000 3.410) 5.031 5.216 ( 3.863 0.000 1.198) 4.044 5.271 ( -3.029 0.000 0.411) 3.057 5.406 ( 4.055 0.000 -5.199) 6.594 5.453 ( 0.347 0.000 -4.093) 4.108 5.530 ( -1.006 0.000 1.323) 1.662 5.639 ( 1.877 0.000 0.391) 1.917 5.651 ( -2.638 0.000 2.333) 3.522 5.676 ( 3.044 0.000 1.569) 3.425 5.734 ( -2.861 0.000 4.504) 5.336 5.942 ( 0.835 0.000 -1.325) 1.566 5.945 ( 13.442 0.000 3.529) 13.897 6.117 ( -2.918 0.000 0.409) 2.947 6.581 ( -0.752 0.000 1.892) 2.036 6.824 ( 1.540 0.000 -1.063) 1.871 6.970 ( -6.230 0.000 -0.746) 6.275 6.981 ( 0.006 0.000 -2.537) 2.537 ======================= Grid point 154 (67/170) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 3.221 0.000 20.769) 21.018 1.391 ( 16.355 0.000 19.576) 25.509 2.022 ( 8.007 0.000 -7.703) 11.111 2.215 ( 3.775 0.000 26.418) 26.686 2.233 ( 3.906 0.000 8.384) 9.249 2.653 ( -6.803 0.000 5.366) 8.665 2.766 ( -8.162 0.000 4.276) 9.214 3.067 ( 1.163 0.000 4.064) 4.228 3.248 ( 7.250 0.000 9.018) 11.571 3.444 ( -1.983 0.000 -5.626) 5.965 3.618 ( -1.532 0.000 -6.970) 7.136 3.658 ( -0.831 0.000 -5.330) 5.394 3.879 ( -0.990 0.000 -2.724) 2.899 4.094 ( 0.665 0.000 -0.571) 0.877 4.181 ( 1.376 0.000 -8.812) 8.919 4.368 ( -8.326 0.000 -7.085) 10.933 4.559 ( 4.292 0.000 4.678) 6.349 4.889 ( 8.907 0.000 5.435) 10.435 4.906 ( -2.551 0.000 -0.257) 2.564 5.075 ( -7.787 0.000 -1.127) 7.868 5.214 ( -2.679 0.000 0.099) 2.681 5.258 ( 0.380 0.000 -3.178) 3.200 5.422 ( 1.948 0.000 -4.162) 4.596 5.451 ( 2.186 0.000 -0.645) 2.279 5.539 ( 0.751 0.000 0.720) 1.040 5.599 ( -3.039 0.000 1.084) 3.226 5.698 ( 3.636 0.000 0.718) 3.707 5.747 ( -0.815 0.000 4.479) 4.552 5.753 ( 3.204 0.000 1.540) 3.555 5.943 ( 0.398 0.000 -1.045) 1.118 6.060 ( -2.831 0.000 -0.941) 2.983 6.148 ( 5.796 0.000 -1.296) 5.939 6.600 ( 0.920 0.000 2.081) 2.275 6.840 ( 1.661 0.000 -2.444) 2.955 6.862 ( -5.168 0.000 1.891) 5.503 6.966 ( 0.123 0.000 -0.754) 0.764 ======================= Grid point 155 (68/170) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 9.576 0.000 16.455) 19.039 1.829 ( 8.821 0.000 22.446) 24.117 2.173 ( 11.307 0.000 -4.878) 12.314 2.230 ( -5.256 0.000 7.389) 9.067 2.558 ( -5.601 0.000 2.065) 5.970 2.635 ( 6.446 0.000 3.661) 7.413 2.754 ( 10.903 0.000 14.811) 18.391 3.140 ( 2.571 0.000 4.469) 5.156 3.349 ( -3.072 0.000 -4.400) 5.367 3.377 ( -0.202 0.000 0.550) 0.586 3.492 ( -5.420 0.000 -7.319) 9.108 3.650 ( 3.262 0.000 2.563) 4.149 3.851 ( 2.441 0.000 -5.694) 6.195 4.018 ( -7.699 0.000 -2.034) 7.963 4.117 ( -1.225 0.000 -6.437) 6.552 4.217 ( -3.024 0.000 -2.083) 3.672 4.618 ( 1.258 0.000 -6.438) 6.560 4.866 ( -10.671 0.000 -5.516) 12.012 4.893 ( 0.789 0.000 4.902) 4.965 5.091 ( 4.504 0.000 8.781) 9.869 5.181 ( 0.360 0.000 -1.126) 1.182 5.183 ( -3.391 0.000 -5.254) 6.253 5.395 ( -0.730 0.000 -4.612) 4.670 5.498 ( 2.096 0.000 -0.445) 2.143 5.529 ( -2.453 0.000 2.475) 3.484 5.618 ( 4.414 0.000 -2.019) 4.854 5.759 ( -1.768 0.000 3.145) 3.608 5.776 ( 3.325 0.000 0.450) 3.355 5.804 ( 1.415 0.000 -0.302) 1.447 5.952 ( 0.846 0.000 0.264) 0.886 6.000 ( -1.478 0.000 -1.692) 2.246 6.178 ( -0.795 0.000 0.372) 0.878 6.633 ( 0.162 0.000 1.749) 1.757 6.816 ( -1.583 0.000 2.366) 2.847 6.841 ( 1.334 0.000 -3.718) 3.950 6.975 ( 0.499 0.000 1.095) 1.203 ======================= Grid point 156 (69/170) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 10.578 0.000 12.972) 16.738 2.003 ( -12.686 0.000 14.967) 19.620 2.217 ( -9.264 0.000 6.420) 11.271 2.232 ( -1.864 0.000 19.019) 19.110 2.557 ( 9.363 0.000 -10.404) 13.997 2.732 ( 11.331 0.000 -8.263) 14.024 3.212 ( 12.892 0.000 7.165) 14.750 3.232 ( 2.144 0.000 2.983) 3.673 3.252 ( -2.681 0.000 -1.369) 3.010 3.293 ( -6.335 0.000 -1.222) 6.452 3.322 ( -1.893 0.000 -0.223) 1.906 3.743 ( 0.531 0.000 2.347) 2.406 3.873 ( 5.246 0.000 -6.214) 8.132 3.883 ( -4.168 0.000 1.612) 4.469 4.027 ( -2.122 0.000 -5.307) 5.715 4.138 ( -4.391 0.000 1.081) 4.522 4.530 ( 0.267 0.000 -13.246) 13.248 4.593 ( -10.737 0.000 -8.663) 13.796 4.959 ( -1.559 0.000 1.689) 2.299 5.104 ( 1.784 0.000 -1.071) 2.080 5.124 ( -2.633 0.000 1.829) 3.206 5.284 ( 4.864 0.000 3.646) 6.079 5.324 ( -1.414 0.000 -4.267) 4.495 5.498 ( -0.702 0.000 -2.917) 3.000 5.515 ( -1.055 0.000 1.619) 1.932 5.685 ( 4.390 0.000 -2.781) 5.197 5.738 ( -2.863 0.000 2.595) 3.864 5.781 ( -0.575 0.000 -1.742) 1.835 5.854 ( 2.912 0.000 0.230) 2.921 5.909 ( -2.829 0.000 -2.742) 3.939 6.038 ( 3.117 0.000 2.322) 3.887 6.155 ( -2.734 0.000 2.455) 3.674 6.630 ( -1.660 0.000 1.540) 2.264 6.828 ( 0.886 0.000 -3.579) 3.687 6.841 ( 1.452 0.000 2.852) 3.200 6.998 ( 0.697 0.000 1.345) 1.515 ======================= Grid point 157 (70/170) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -20.135 0.000 10.732) 22.817 2.011 ( -17.696 0.000 9.349) 20.013 2.098 ( 7.695 0.000 10.843) 13.296 2.360 ( -4.373 0.000 17.374) 17.916 2.613 ( 6.718 0.000 -13.359) 14.953 2.858 ( -1.976 0.000 -4.895) 5.279 2.999 ( -3.252 0.000 -2.924) 4.373 3.184 ( -4.320 0.000 1.217) 4.488 3.197 ( -4.920 0.000 1.168) 5.057 3.401 ( 4.946 0.000 4.211) 6.496 3.600 ( 8.571 0.000 7.571) 11.436 3.661 ( -12.367 0.000 -0.123) 12.368 3.854 ( 3.011 0.000 0.047) 3.011 3.913 ( 4.640 0.000 -5.060) 6.865 4.004 ( 6.716 0.000 -6.796) 9.555 4.171 ( 4.730 0.000 4.916) 6.822 4.348 ( -4.953 0.000 -10.036) 11.192 4.413 ( -0.202 0.000 -12.648) 12.650 4.881 ( -2.587 0.000 -3.929) 4.704 5.082 ( -1.932 0.000 -1.020) 2.185 5.204 ( 5.371 0.000 1.147) 5.492 5.230 ( -2.188 0.000 -4.645) 5.135 5.416 ( 3.923 0.000 3.331) 5.147 5.431 ( -2.304 0.000 -4.088) 4.693 5.510 ( -1.222 0.000 1.525) 1.954 5.704 ( -3.049 0.000 2.633) 4.029 5.726 ( 2.334 0.000 -2.422) 3.363 5.751 ( -1.202 0.000 -1.253) 1.737 5.824 ( -3.479 0.000 -2.768) 4.446 5.898 ( 1.847 0.000 -0.498) 1.913 6.115 ( 2.274 0.000 2.690) 3.522 6.117 ( -4.108 0.000 3.267) 5.248 6.611 ( -1.706 0.000 1.559) 2.311 6.814 ( 0.637 0.000 -2.884) 2.953 6.910 ( 2.660 0.000 3.537) 4.426 7.020 ( 0.546 0.000 0.611) 0.819 ======================= Grid point 158 (71/170) ======================= q-point: (-0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -21.401 0.000 9.613) 23.461 1.719 ( -22.325 0.000 11.908) 25.303 2.296 ( 3.921 0.000 7.701) 8.642 2.307 ( -19.137 0.000 13.641) 23.501 2.554 ( -15.875 0.000 3.770) 16.316 2.614 ( 4.920 0.000 -8.214) 9.574 3.084 ( -4.532 0.000 8.692) 9.802 3.110 ( -5.864 0.000 2.131) 6.239 3.188 ( 11.868 0.000 -7.009) 13.783 3.319 ( -18.865 0.000 -0.263) 18.867 3.547 ( 5.684 0.000 -0.053) 5.684 3.671 ( -0.591 0.000 -0.287) 0.657 3.964 ( 5.583 0.000 1.166) 5.704 3.969 ( 1.203 0.000 -1.786) 2.154 4.119 ( 11.578 0.000 -8.608) 14.427 4.283 ( 0.506 0.000 -2.436) 2.488 4.291 ( 7.360 0.000 -7.173) 10.278 4.381 ( 9.087 0.000 -2.029) 9.311 4.826 ( 0.174 0.000 -2.908) 2.913 5.037 ( -0.123 0.000 -4.288) 4.290 5.172 ( -1.196 0.000 -0.103) 1.200 5.254 ( 1.074 0.000 -6.482) 6.571 5.392 ( 1.065 0.000 1.265) 1.654 5.482 ( -0.922 0.000 -1.132) 1.460 5.503 ( 0.747 0.000 4.028) 4.097 5.670 ( -3.240 0.000 3.059) 4.456 5.710 ( -2.116 0.000 -1.052) 2.363 5.733 ( 0.490 0.000 -1.945) 2.006 5.734 ( -3.559 0.000 -2.143) 4.154 5.919 ( 1.172 0.000 -1.091) 1.601 6.052 ( -6.047 0.000 3.394) 6.934 6.164 ( 0.560 0.000 2.356) 2.421 6.596 ( -1.331 0.000 1.708) 2.166 6.803 ( 0.629 0.000 -2.137) 2.228 6.997 ( 3.132 0.000 3.295) 4.547 7.028 ( 0.311 0.000 -0.571) 0.650 ======================= Grid point 159 (72/170) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -22.124 0.000 10.673) 24.564 1.398 ( -23.821 0.000 15.517) 28.430 1.944 ( -30.273 0.000 24.138) 38.719 2.378 ( -1.752 0.000 5.394) 5.671 2.391 ( -7.142 0.000 1.573) 7.313 2.670 ( 5.049 0.000 -2.272) 5.537 2.915 ( -14.861 0.000 -0.777) 14.881 3.042 ( -7.784 0.000 10.702) 13.233 3.079 ( -5.249 0.000 2.653) 5.881 3.380 ( 13.203 0.000 -7.785) 15.327 3.633 ( 4.549 0.000 -2.709) 5.295 3.666 ( 1.610 0.000 -1.524) 2.217 3.941 ( -1.266 0.000 -1.155) 1.714 4.049 ( 1.826 0.000 2.266) 2.910 4.253 ( 9.961 0.000 -9.623) 13.850 4.276 ( 2.222 0.000 -2.177) 3.111 4.412 ( 10.145 0.000 -6.345) 11.965 4.576 ( 10.407 0.000 -1.106) 10.465 4.835 ( 1.877 0.000 -0.085) 1.879 5.026 ( 3.175 0.000 -2.124) 3.820 5.183 ( -1.601 0.000 -4.876) 5.132 5.189 ( 0.664 0.000 4.576) 4.624 5.423 ( -4.549 0.000 1.047) 4.668 5.449 ( 2.835 0.000 0.415) 2.865 5.552 ( 1.657 0.000 0.982) 1.926 5.635 ( -3.337 0.000 3.222) 4.639 5.651 ( -2.542 0.000 -1.591) 2.999 5.664 ( -2.138 0.000 -0.964) 2.345 5.712 ( -1.396 0.000 -0.541) 1.497 5.928 ( 1.058 0.000 -1.409) 1.763 5.950 ( -7.689 0.000 3.378) 8.398 6.178 ( -1.079 0.000 1.909) 2.193 6.589 ( -1.146 0.000 1.806) 2.139 6.800 ( 0.752 0.000 -1.463) 1.645 7.022 ( 0.209 0.000 -1.823) 1.835 7.073 ( 2.320 0.000 0.786) 2.450 ======================= Grid point 160 (73/170) ======================= q-point: (-0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -17.194 0.000 17.017) 24.191 1.129 ( -20.243 0.000 20.391) 28.733 1.736 ( -19.061 0.000 37.159) 41.762 2.266 ( -11.458 0.000 -1.624) 11.573 2.284 ( -4.089 0.000 -1.085) 4.231 2.699 ( -0.233 0.000 1.143) 1.166 2.828 ( 2.752 0.000 6.438) 7.001 2.980 ( -8.816 0.000 10.302) 13.559 3.038 ( -2.380 0.000 3.068) 3.883 3.508 ( 7.602 0.000 -9.096) 11.854 3.681 ( 3.961 0.000 -4.122) 5.716 3.695 ( 2.504 0.000 -2.780) 3.741 3.922 ( -0.827 0.000 1.231) 1.483 4.080 ( -0.015 0.000 0.896) 0.896 4.292 ( 3.973 0.000 -11.347) 12.023 4.325 ( 3.318 0.000 1.378) 3.592 4.534 ( 8.927 0.000 -6.487) 11.036 4.690 ( 3.497 0.000 -6.629) 7.495 4.883 ( 1.650 0.000 3.160) 3.565 5.139 ( 4.989 0.000 3.302) 5.983 5.150 ( 0.948 0.000 0.507) 1.075 5.279 ( 4.832 0.000 2.357) 5.376 5.353 ( -2.516 0.000 2.307) 3.414 5.479 ( 1.076 0.000 -2.968) 3.157 5.555 ( -2.740 0.000 1.644) 3.195 5.619 ( 0.658 0.000 -0.683) 0.949 5.633 ( -0.426 0.000 0.440) 0.612 5.645 ( 1.928 0.000 2.936) 3.512 5.689 ( -0.740 0.000 4.086) 4.152 5.839 ( -6.409 0.000 3.732) 7.416 5.936 ( 1.104 0.000 -1.445) 1.818 6.160 ( -2.301 0.000 1.342) 2.664 6.584 ( -1.103 0.000 1.792) 2.104 6.807 ( 1.106 0.000 -0.939) 1.451 7.005 ( 0.112 0.000 -2.704) 2.706 7.073 ( -1.939 0.000 -2.557) 3.209 ======================= Grid point 161 (74/170) ======================= q-point: ( 0.00 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 9.557 13.158 17.518) 23.903 1.259 ( -4.671 16.918 19.510) 26.243 2.005 ( -6.151 14.362 32.371) 35.944 2.108 ( -5.121 6.478 -3.143) 8.835 2.280 ( -1.475 5.552 -1.200) 5.869 2.717 ( -2.694 1.605 4.211) 5.251 2.892 ( -0.231 -2.952 8.166) 8.686 2.985 ( -0.946 0.761 6.911) 7.017 3.033 ( -1.600 -0.528 5.064) 5.337 3.513 ( 1.496 0.175 -7.017) 7.176 3.562 ( 2.632 -8.384 -6.884) 11.163 3.743 ( -2.458 0.014 -3.210) 4.043 3.919 ( -0.529 -0.122 0.350) 0.646 4.060 ( 0.210 -2.198 -1.271) 2.548 4.150 ( 4.361 -7.118 -7.899) 11.493 4.413 ( 6.148 -2.941 3.712) 7.761 4.528 ( -6.171 -5.603 -7.153) 10.984 4.657 ( 6.656 -1.097 2.034) 7.046 4.931 ( -0.219 0.158 1.268) 1.296 5.136 ( -0.234 -2.238 1.995) 3.007 5.224 ( -0.840 1.390 3.140) 3.535 5.333 ( 1.031 3.254 -2.476) 4.217 5.372 ( 3.774 -2.294 -2.203) 4.936 5.466 ( -0.100 0.254 -4.017) 4.026 5.554 ( -1.838 2.402 2.362) 3.837 5.621 ( -1.346 -0.024 1.998) 2.410 5.684 ( 2.438 1.569 0.815) 3.011 5.733 ( 1.559 5.083 -0.113) 5.318 5.770 ( -1.789 3.774 3.850) 5.680 5.884 ( 5.975 -1.836 2.298) 6.660 6.003 ( 3.702 2.554 0.838) 4.575 6.122 ( -2.880 0.491 0.511) 2.966 6.580 ( -0.884 0.047 1.883) 2.080 6.816 ( 0.201 -0.938 0.268) 0.996 6.942 ( -2.118 -1.874 -2.694) 3.906 6.991 ( -1.318 -0.006 -2.155) 2.526 ======================= Grid point 162 (75/170) ======================= q-point: ( 0.12 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 3.693 18.259 16.554) 24.921 1.490 ( 15.055 9.828 17.212) 24.890 2.057 ( 6.822 3.913 -7.969) 11.196 2.264 ( -0.902 4.149 3.852) 5.732 2.320 ( 5.823 10.466 29.983) 32.287 2.674 ( -3.332 2.964 1.385) 4.670 2.837 ( -8.522 6.041 6.595) 12.354 3.052 ( 1.323 -1.789 3.747) 4.357 3.170 ( 6.080 -7.406 9.151) 13.250 3.450 ( -1.939 0.687 -5.470) 5.844 3.532 ( 1.323 -7.468 -8.041) 11.054 3.623 ( -6.140 -4.042 -4.280) 8.506 3.907 ( 1.308 1.145 -3.721) 4.107 4.066 ( 0.530 -2.585 -1.083) 2.852 4.157 ( 2.060 -2.515 -5.077) 6.028 4.327 ( -6.611 -3.982 -7.623) 10.848 4.557 ( 3.403 -1.182 7.289) 8.131 4.819 ( 5.381 -3.569 0.798) 6.506 4.921 ( 0.384 -0.237 2.654) 2.692 5.071 ( -6.461 -0.131 -1.719) 6.687 5.224 ( -1.301 1.392 1.469) 2.406 5.291 ( -1.071 1.919 -5.013) 5.473 5.417 ( 1.974 -0.418 -3.318) 3.883 5.459 ( 2.567 0.137 -1.102) 2.797 5.547 ( -1.282 1.058 1.896) 2.522 5.595 ( -1.725 0.578 1.089) 2.120 5.745 ( 2.364 1.823 1.841) 3.507 5.776 ( 3.001 4.486 -0.261) 5.404 5.793 ( 0.323 3.935 3.362) 5.186 5.938 ( 0.789 -0.328 -0.668) 1.085 6.067 ( -2.695 0.787 -0.761) 2.909 6.123 ( 4.715 -1.966 0.666) 5.152 6.592 ( 0.246 -0.512 2.295) 2.364 6.813 ( -1.341 -1.767 1.389) 2.617 6.880 ( -1.007 0.538 -3.070) 3.276 6.965 ( -0.196 -0.245 -0.737) 0.801 ======================= Grid point 163 (76/170) ======================= q-point: ( 0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 7.952 14.345 13.551) 21.275 1.890 ( 7.469 6.221 20.374) 22.574 2.185 ( 12.042 1.609 -6.816) 13.930 2.236 ( -6.737 1.598 7.688) 10.346 2.626 ( -5.126 6.395 4.188) 9.204 2.699 ( 6.814 6.189 -0.633) 9.227 2.827 ( 10.070 7.698 16.501) 20.807 3.128 ( 2.713 -1.398 4.569) 5.494 3.308 ( 0.994 -6.642 1.723) 6.933 3.357 ( -2.627 0.158 -3.072) 4.045 3.429 ( -6.946 -5.815 -6.447) 11.119 3.523 ( 2.026 -9.380 -2.986) 10.050 3.908 ( 3.074 1.234 -5.990) 6.845 4.013 ( -5.509 -0.788 -1.159) 5.684 4.114 ( -2.284 0.384 -2.690) 3.549 4.202 ( -2.109 -1.758 -2.045) 3.423 4.632 ( -0.302 0.911 -1.964) 2.186 4.825 ( 0.565 -4.501 0.064) 4.536 4.875 ( -8.638 0.736 -5.702) 10.376 5.070 ( 4.326 -2.218 8.270) 9.593 5.191 ( -2.170 1.021 -3.892) 4.572 5.230 ( -0.346 3.504 -0.915) 3.638 5.393 ( -0.578 -0.266 -4.507) 4.552 5.500 ( 1.470 -0.665 -0.834) 1.816 5.532 ( -1.376 0.788 1.899) 2.474 5.611 ( 2.719 0.181 -0.757) 2.828 5.780 ( -0.836 1.673 2.261) 2.934 5.815 ( 0.220 2.785 -0.231) 2.803 5.840 ( 3.380 4.127 -0.141) 5.336 5.951 ( 0.815 0.183 0.638) 1.051 6.013 ( -1.386 1.271 -1.536) 2.428 6.164 ( -0.342 -1.166 1.063) 1.614 6.619 ( 0.007 -1.111 2.185) 2.452 6.802 ( -0.955 -1.174 2.239) 2.702 6.849 ( 0.741 0.389 -3.984) 4.071 6.967 ( 0.367 -0.807 0.748) 1.160 ======================= Grid point 164 (77/170) ======================= q-point: ( 0.38 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 8.800 9.736 10.943) 17.087 1.982 ( -13.561 -0.175 12.378) 18.361 2.274 ( 0.605 5.098 16.707) 17.478 2.298 ( -4.292 5.612 4.516) 8.385 2.538 ( 2.655 0.028 -6.309) 6.845 2.798 ( 10.521 5.233 -10.389) 15.685 3.191 ( -5.065 -4.489 -0.211) 6.772 3.225 ( -5.715 -1.982 -3.707) 7.094 3.254 ( 11.145 1.555 8.365) 14.021 3.269 ( 1.885 0.074 0.914) 2.096 3.346 ( 3.838 2.555 3.738) 5.936 3.583 ( 4.021 -11.696 0.139) 12.368 3.883 ( -1.786 0.490 -3.019) 3.542 3.914 ( -0.639 -2.975 -4.818) 5.698 4.053 ( -5.300 4.095 0.913) 6.760 4.149 ( -1.877 1.245 2.138) 3.106 4.526 ( -4.232 -0.554 -8.747) 9.733 4.629 ( -6.205 3.551 -11.778) 13.778 4.881 ( -0.354 -5.815 2.844) 6.483 5.087 ( -0.716 -0.338 -5.353) 5.411 5.182 ( -0.366 2.245 5.045) 5.534 5.284 ( 3.022 0.246 0.824) 3.142 5.333 ( 0.083 1.048 -2.715) 2.912 5.495 ( -0.459 -0.869 -1.877) 2.119 5.524 ( -0.977 1.094 0.166) 1.476 5.660 ( 3.291 -1.524 -1.850) 4.071 5.766 ( -2.695 2.665 2.360) 4.465 5.793 ( -0.374 1.112 -2.108) 2.412 5.898 ( 2.860 3.390 -0.760) 4.500 5.920 ( -2.740 1.371 -1.968) 3.642 6.042 ( 2.748 0.713 2.399) 3.717 6.153 ( -2.177 -0.176 2.379) 3.230 6.622 ( -1.419 -0.673 1.833) 2.414 6.827 ( 1.165 -1.358 2.794) 3.318 6.831 ( 0.789 0.084 -3.585) 3.672 6.987 ( 0.680 -1.248 1.043) 1.763 ======================= Grid point 165 (78/170) ======================= q-point: (-0.50 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -18.751 0.076 11.005) 21.742 2.079 ( -19.183 5.619 4.752) 20.546 2.160 ( 6.894 6.226 9.320) 13.159 2.413 ( -2.046 5.115 14.683) 15.683 2.589 ( 5.807 -1.797 -10.062) 11.756 2.890 ( 3.489 2.317 -7.190) 8.321 2.974 ( -6.822 -2.860 -2.066) 7.680 3.159 ( -3.791 0.460 2.715) 4.686 3.268 ( -3.441 4.567 1.037) 5.812 3.372 ( 4.145 -3.564 3.639) 6.567 3.523 ( -3.893 -4.332 4.124) 7.137 3.720 ( 7.935 1.295 1.633) 8.204 3.864 ( 3.312 -2.891 -0.917) 4.491 3.878 ( -0.775 -0.256 -2.992) 3.101 3.934 ( 0.198 -2.349 -2.258) 3.264 4.186 ( 0.610 1.255 0.130) 1.401 4.369 ( -1.390 1.590 -4.889) 5.325 4.473 ( 0.612 4.408 -12.618) 13.380 4.842 ( -2.627 -3.674 -1.648) 4.808 5.049 ( 0.243 -1.657 -4.296) 4.611 5.207 ( -1.480 -1.308 -2.016) 2.822 5.257 ( 2.121 2.659 -1.918) 3.905 5.416 ( 2.786 0.178 1.957) 3.410 5.453 ( -0.268 1.601 -2.317) 2.829 5.505 ( -1.618 -0.164 1.218) 2.032 5.689 ( 0.625 -2.267 -1.088) 2.591 5.726 ( -2.297 2.366 1.039) 3.458 5.780 ( -0.121 1.495 -0.856) 1.726 5.839 ( -3.104 1.574 -2.599) 4.343 5.938 ( 1.929 3.404 -0.898) 4.014 6.098 ( -1.436 -0.213 3.621) 3.901 6.139 ( -0.163 1.073 2.259) 2.506 6.607 ( -1.627 -0.191 1.750) 2.397 6.816 ( 0.687 0.183 -2.835) 2.923 6.888 ( 2.223 -2.164 3.375) 4.584 7.007 ( 0.651 -1.374 0.443) 1.584 ======================= Grid point 166 (79/170) ======================= q-point: (-0.38 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -19.543 3.091 11.760) 23.016 1.711 ( -23.478 1.102 5.215) 24.075 2.313 ( 0.172 3.040 7.439) 8.038 2.447 ( -7.313 10.045 11.593) 16.993 2.579 ( 3.169 -3.329 -7.070) 8.432 2.648 ( -16.650 9.668 3.964) 19.657 3.026 ( 1.698 -5.857 -1.301) 6.236 3.122 ( -6.149 2.705 7.963) 10.418 3.233 ( 2.702 3.292 -2.395) 4.886 3.335 ( -13.106 1.200 -0.111) 13.161 3.469 ( 2.928 -5.364 1.345) 6.257 3.717 ( -0.641 1.587 -1.714) 2.422 3.931 ( 7.772 -5.162 -3.864) 10.098 3.976 ( 4.971 -7.142 -3.651) 9.437 3.996 ( 2.855 1.851 -0.751) 3.484 4.151 ( 1.917 -5.963 -1.966) 6.565 4.400 ( 4.225 4.448 -6.361) 8.838 4.485 ( 9.242 5.934 -1.175) 11.046 4.797 ( -0.255 -2.987 -1.642) 3.418 5.014 ( 0.718 -1.453 -4.753) 5.022 5.140 ( -2.195 -2.549 -2.221) 4.031 5.272 ( 1.509 1.185 -5.863) 6.169 5.424 ( 1.309 2.047 0.212) 2.439 5.476 ( -2.547 -0.270 1.419) 2.928 5.508 ( 2.320 0.767 1.925) 3.111 5.658 ( -3.151 -0.507 1.702) 3.617 5.713 ( -0.490 1.003 -0.403) 1.187 5.744 ( -2.406 1.560 -1.422) 3.201 5.782 ( -1.004 2.926 -1.371) 3.384 5.958 ( 1.336 3.393 -1.438) 3.919 6.054 ( -5.440 0.671 3.464) 6.484 6.173 ( 0.436 0.817 2.141) 2.333 6.595 ( -1.362 -0.035 1.839) 2.289 6.807 ( 0.665 0.353 -2.076) 2.208 6.963 ( 2.324 -3.317 2.906) 4.984 7.018 ( 0.731 -1.126 -0.499) 1.432 ======================= Grid point 167 (80/170) ======================= q-point: (-0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -21.508 6.417 8.428) 23.975 1.359 ( -20.613 0.887 16.977) 26.719 2.192 ( -23.086 18.915 18.069) 34.889 2.380 ( -5.916 4.302 4.728) 8.709 2.479 ( -3.729 5.799 2.030) 7.187 2.624 ( 3.160 -3.828 -1.174) 5.101 2.923 ( -12.625 1.109 0.894) 12.705 3.044 ( -3.890 -3.414 1.254) 5.326 3.110 ( -8.566 6.216 9.428) 14.174 3.388 ( 11.130 0.885 -6.285) 12.812 3.521 ( 3.201 -7.762 -2.356) 8.720 3.729 ( 2.675 2.451 -1.442) 3.905 3.948 ( -0.894 -0.351 -2.599) 2.771 4.024 ( 2.665 -3.412 -0.560) 4.366 4.091 ( 9.421 -9.968 -3.750) 14.219 4.184 ( 1.211 -6.870 -2.232) 7.324 4.473 ( 7.609 2.407 -4.213) 9.024 4.649 ( 7.657 3.813 -2.644) 8.953 4.806 ( 1.907 -2.359 0.588) 3.090 5.014 ( 3.400 -0.911 -2.238) 4.171 5.094 ( -1.310 -3.871 -0.136) 4.089 5.254 ( 1.529 2.260 -1.955) 3.357 5.410 ( -3.856 -0.753 1.184) 4.104 5.483 ( 1.882 2.386 0.995) 3.197 5.554 ( 1.453 0.242 0.086) 1.476 5.623 ( -1.877 0.674 1.908) 2.760 5.670 ( -2.572 1.648 -0.098) 3.056 5.714 ( -0.773 3.222 -0.422) 3.341 5.750 ( -1.333 3.383 -0.737) 3.710 5.951 ( -4.118 1.089 0.889) 4.351 5.978 ( -1.966 3.881 0.586) 4.390 6.184 ( -1.134 0.600 1.812) 2.220 6.588 ( -1.144 0.002 1.889) 2.208 6.804 ( 0.621 0.329 -1.314) 1.490 7.000 ( 0.440 -2.801 -0.932) 2.985 7.041 ( 1.662 -2.409 -0.063) 2.927 ======================= Grid point 168 (81/170) ======================= q-point: (-0.12 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -13.608 9.738 14.955) 22.443 1.235 ( -12.235 9.551 21.921) 26.860 1.971 ( -18.969 21.326 27.629) 39.724 2.276 ( -7.362 3.434 -0.270) 8.128 2.379 ( -8.101 7.842 -1.523) 11.377 2.671 ( 3.165 -4.279 2.368) 5.825 2.805 ( -1.672 -0.058 5.443) 5.694 3.005 ( -3.230 -1.623 3.525) 5.049 3.056 ( -6.252 4.705 8.317) 11.419 3.503 ( 6.919 -0.535 -7.857) 10.483 3.554 ( 3.556 -8.140 -4.721) 10.059 3.768 ( 1.956 2.656 -1.689) 3.706 3.920 ( -0.619 -0.627 0.310) 0.934 4.065 ( 1.252 -2.131 -0.145) 2.475 4.155 ( 1.219 -9.764 -6.062) 11.557 4.251 ( 9.046 -7.256 -0.858) 11.628 4.562 ( 4.698 1.330 -2.399) 5.440 4.668 ( -0.742 -3.787 -7.550) 8.479 4.882 ( 3.396 0.349 2.420) 4.184 5.090 ( 1.768 -2.424 2.540) 3.931 5.141 ( 6.766 -1.711 2.039) 7.271 5.300 ( 3.038 1.723 0.946) 3.618 5.350 ( -3.102 0.106 2.289) 3.856 5.503 ( 0.404 1.465 -2.829) 3.211 5.565 ( -0.982 0.912 2.170) 2.550 5.620 ( -0.510 0.185 0.884) 1.037 5.647 ( 0.642 2.255 0.184) 2.352 5.709 ( 1.283 5.047 -0.083) 5.208 5.735 ( -0.368 3.961 3.153) 5.076 5.854 ( -5.800 1.796 2.745) 6.663 5.975 ( 0.800 3.493 -1.017) 3.725 6.164 ( -2.345 0.447 1.335) 2.735 6.584 ( -1.075 0.072 1.815) 2.110 6.808 ( 0.606 -0.060 -0.495) 0.785 6.985 ( -0.189 -2.243 -2.549) 3.400 7.041 ( -0.878 -2.444 -2.192) 3.399 ======================= Grid point 169 (82/170) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 9.756 19.701 12.606) 25.342 1.581 ( -0.476 16.911 17.760) 24.528 2.221 ( -2.447 8.592 -3.572) 9.621 2.393 ( -5.660 14.015 8.533) 17.357 2.474 ( -4.997 19.587 11.014) 23.020 2.699 ( 4.010 -7.161 9.567) 12.605 2.840 ( -0.783 3.237 1.498) 3.652 2.935 ( 0.428 -4.893 2.940) 5.725 3.103 ( -7.812 5.182 8.787) 12.850 3.383 ( 3.073 -9.944 -6.997) 12.541 3.528 ( 1.748 1.650 -5.891) 6.362 3.691 ( -7.012 -5.086 -0.476) 8.676 3.880 ( 1.033 -5.005 -6.788) 8.497 3.974 ( 4.433 -6.648 -2.306) 8.317 4.031 ( 2.673 -4.160 -1.625) 5.205 4.344 ( 6.703 -3.005 6.183) 9.601 4.394 ( -5.897 -7.969 -4.196) 10.765 4.605 ( 2.483 -5.959 5.822) 8.693 4.955 ( 1.428 2.885 -0.866) 3.333 5.123 ( 1.245 1.162 0.039) 1.703 5.239 ( 3.782 -0.862 2.113) 4.418 5.332 ( -1.159 0.052 -1.101) 1.599 5.382 ( 3.161 1.059 -1.088) 3.506 5.464 ( -1.340 -0.138 -3.934) 4.158 5.591 ( -1.865 0.681 2.624) 3.291 5.624 ( -0.138 -0.025 1.654) 1.660 5.731 ( 1.613 3.306 -0.024) 3.679 5.823 ( 2.203 3.676 -1.305) 4.480 5.866 ( -0.336 5.653 2.786) 6.311 5.896 ( 2.120 3.018 2.263) 4.327 6.048 ( 0.575 2.410 1.755) 3.037 6.135 ( -2.734 0.833 0.829) 2.975 6.588 ( -0.951 0.916 1.734) 2.179 6.786 ( -1.467 -2.150 2.064) 3.321 6.907 ( 0.490 -1.639 -4.408) 4.729 6.976 ( -0.275 -1.521 -2.590) 3.016 ======================= Grid point 170 (83/170) ======================= q-point: ( 0.12 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 10.294 14.570 12.543) 21.808 1.755 ( 6.119 18.293 14.186) 23.944 2.178 ( 4.409 8.699 -7.818) 12.499 2.379 ( -3.317 8.001 3.501) 9.342 2.620 ( 4.126 18.489 21.188) 28.422 2.758 ( 0.456 4.251 0.297) 4.285 2.915 ( 1.001 -1.633 6.481) 6.759 2.993 ( 1.847 -3.970 4.488) 6.270 3.052 ( -3.541 0.046 8.707) 9.400 3.366 ( 2.286 -9.025 -8.187) 12.398 3.479 ( -2.216 2.200 -5.121) 5.998 3.515 ( -9.113 -6.274 -2.321) 11.305 3.855 ( 3.267 -7.114 -8.288) 11.401 4.013 ( -0.468 -3.312 1.446) 3.645 4.084 ( 4.000 -5.073 -1.904) 6.735 4.232 ( -5.435 -5.743 -5.048) 9.381 4.508 ( 3.404 -2.792 8.904) 9.932 4.743 ( 4.352 -6.163 7.231) 10.451 4.943 ( -0.209 3.690 -3.591) 5.152 5.089 ( -3.657 2.328 -2.973) 5.257 5.262 ( -1.403 2.392 0.877) 2.909 5.304 ( 0.304 -0.620 -4.390) 4.444 5.406 ( 0.650 -0.587 -2.996) 3.122 5.447 ( 2.298 -1.100 -0.954) 2.720 5.569 ( -2.187 0.966 1.993) 3.113 5.626 ( -0.829 1.672 1.518) 2.406 5.773 ( 2.220 1.782 0.560) 2.901 5.859 ( 2.711 2.589 -1.417) 4.007 5.890 ( 0.202 5.525 2.054) 5.898 5.949 ( 1.307 2.361 1.318) 3.003 6.089 ( -2.379 1.377 -0.276) 2.762 6.103 ( 2.254 0.198 2.684) 3.510 6.591 ( -0.464 0.600 2.121) 2.252 6.777 ( -1.544 -2.114 2.349) 3.517 6.875 ( 0.461 -0.868 -4.607) 4.711 6.951 ( -0.318 -1.398 -1.450) 2.040 ======================= Grid point 171 (84/170) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 5.774 15.220 9.900) 19.052 2.056 ( 4.046 10.905 15.075) 19.041 2.252 ( 10.222 5.797 -7.876) 14.147 2.322 ( -5.456 7.553 6.593) 11.415 2.766 ( -3.481 6.757 3.272) 8.275 2.832 ( 3.415 6.189 -4.068) 8.156 3.019 ( 7.110 6.143 14.082) 16.929 3.087 ( 4.527 -2.519 4.448) 6.828 3.152 ( 4.951 -3.535 7.264) 9.475 3.283 ( -8.146 -6.115 -3.500) 10.771 3.347 ( 0.914 -6.991 -7.098) 10.005 3.401 ( -2.689 1.494 -3.007) 4.302 3.834 ( 1.014 -7.880 -6.914) 10.533 3.969 ( -3.501 -4.141 -1.233) 5.561 4.129 ( 0.419 -3.265 -0.442) 3.321 4.147 ( -1.057 -1.128 2.261) 2.739 4.621 ( -0.753 -1.679 6.908) 7.149 4.786 ( -0.967 -0.379 -3.742) 3.884 4.901 ( -3.336 2.050 -8.264) 9.144 5.018 ( 1.087 -2.236 4.624) 5.250 5.217 ( -1.651 1.587 -3.624) 4.287 5.284 ( 0.146 1.964 0.104) 1.972 5.385 ( -0.002 -0.444 -3.686) 3.712 5.470 ( 0.722 -1.887 -1.035) 2.270 5.555 ( -0.533 1.386 0.791) 1.683 5.630 ( 0.361 1.131 0.566) 1.315 5.806 ( 0.666 1.246 -0.030) 1.413 5.881 ( -0.213 2.112 -1.604) 2.661 5.905 ( 1.482 3.310 0.440) 3.654 5.990 ( 1.219 4.311 2.075) 4.938 6.044 ( -1.153 1.769 -1.238) 2.447 6.148 ( 0.048 -0.275 2.213) 2.230 6.606 ( -0.270 0.019 2.396) 2.412 6.774 ( -0.802 -1.822 2.264) 3.015 6.847 ( 0.661 -0.608 -4.013) 4.112 6.942 ( 0.171 -1.937 -0.229) 1.958 ======================= Grid point 172 (85/170) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -12.613 6.387 7.463) 15.987 2.135 ( 6.081 12.117 8.602) 16.056 2.388 ( 8.711 4.880 -5.833) 11.564 2.414 ( 0.274 8.463 14.148) 16.488 2.598 ( -10.517 5.595 0.219) 11.914 2.864 ( 4.194 -0.776 -11.288) 12.066 3.091 ( -5.457 -4.516 -1.969) 7.352 3.173 ( 2.506 -3.444 0.651) 4.309 3.198 ( 1.722 -4.528 4.287) 6.469 3.313 ( 0.651 1.098 -1.101) 1.685 3.371 ( 4.799 -8.044 -2.880) 9.800 3.480 ( 12.110 10.634 11.397) 19.739 3.780 ( -0.447 -7.695 -3.952) 8.662 3.897 ( -2.991 -1.195 -1.056) 3.390 4.089 ( -3.990 -1.624 0.745) 4.372 4.191 ( 0.250 2.368 6.446) 6.871 4.518 ( -9.081 0.488 -3.647) 9.798 4.708 ( -3.773 3.997 -13.190) 14.289 4.798 ( 0.486 -2.226 0.757) 2.401 5.061 ( 0.733 -3.287 -3.976) 5.211 5.192 ( -0.441 0.050 2.801) 2.836 5.298 ( 0.429 0.704 -1.328) 1.563 5.362 ( 1.807 1.790 -0.816) 2.672 5.462 ( -0.102 -2.139 -1.652) 2.705 5.550 ( -0.453 1.463 -0.652) 1.665 5.644 ( 0.951 -0.577 -0.776) 1.356 5.805 ( 0.137 1.043 -1.006) 1.456 5.844 ( -2.295 4.183 -0.258) 4.778 5.927 ( -0.000 0.632 -2.034) 2.129 5.983 ( -0.232 3.645 -0.717) 3.722 6.075 ( 2.319 2.637 2.303) 4.200 6.152 ( -1.446 0.227 2.506) 2.902 6.615 ( -0.968 0.219 2.217) 2.429 6.791 ( 0.558 -2.316 2.259) 3.283 6.829 ( 0.699 -0.265 -2.902) 2.997 6.951 ( 0.667 -2.476 0.288) 2.581 ======================= Grid point 173 (86/170) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -15.249 7.683 7.953) 18.837 2.196 ( -19.108 6.558 -1.047) 20.229 2.311 ( 4.170 8.985 6.599) 11.902 2.496 ( 5.146 1.131 -5.368) 7.522 2.606 ( -0.956 5.799 7.615) 9.619 2.829 ( 2.664 -8.711 -6.280) 11.064 2.979 ( -3.129 3.383 -2.099) 5.064 3.198 ( -1.274 2.084 2.693) 3.636 3.258 ( 0.494 -7.265 3.429) 8.049 3.341 ( 1.635 2.175 0.283) 2.736 3.455 ( 2.279 -2.833 1.985) 4.142 3.649 ( 1.478 -7.221 -2.874) 7.911 3.809 ( -3.464 -2.040 1.989) 4.485 3.866 ( 5.288 2.537 2.160) 6.250 4.024 ( -2.408 6.883 2.903) 7.849 4.230 ( -3.646 3.698 -2.489) 5.759 4.354 ( -0.080 -3.758 2.231) 4.370 4.538 ( -1.764 1.974 -11.793) 12.086 4.783 ( -1.411 -1.558 -1.352) 2.499 5.030 ( 1.859 -1.177 -7.370) 7.691 5.172 ( -2.486 -1.709 -2.097) 3.674 5.291 ( 1.557 0.510 -2.816) 3.258 5.426 ( 1.867 0.855 1.035) 2.300 5.455 ( 1.070 -0.883 1.218) 1.846 5.525 ( -0.933 1.807 -1.270) 2.398 5.649 ( 0.399 -1.951 -0.965) 2.213 5.798 ( -0.447 1.689 -1.445) 2.268 5.800 ( -1.879 4.139 0.874) 4.629 5.872 ( -2.110 1.517 -2.390) 3.530 5.998 ( 1.728 2.374 -1.260) 3.195 6.115 ( -1.715 1.911 3.589) 4.413 6.160 ( 0.801 1.243 2.015) 2.499 6.611 ( -1.378 0.777 2.035) 2.578 6.818 ( 1.143 -0.042 -2.647) 2.884 6.834 ( 0.938 -3.210 3.097) 4.558 6.968 ( 0.898 -2.660 0.026) 2.808 ======================= Grid point 174 (87/170) ======================= q-point: (-0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -15.078 10.326 9.769) 20.722 1.793 ( -20.974 7.306 -0.846) 22.226 2.389 ( -0.028 3.237 1.601) 3.611 2.496 ( -0.808 -3.610 -2.790) 4.633 2.636 ( -0.844 9.802 6.540) 11.814 2.796 ( -5.787 -3.581 2.998) 7.437 2.963 ( 1.301 6.039 -2.418) 6.634 3.182 ( -6.918 1.819 5.671) 9.128 3.267 ( -1.587 -2.221 2.834) 3.935 3.342 ( -0.483 2.942 1.475) 3.326 3.436 ( -5.028 1.972 2.211) 5.836 3.663 ( 1.104 -6.735 -2.626) 7.313 3.759 ( 5.939 -7.276 -5.949) 11.118 3.952 ( 1.262 0.733 0.001) 1.459 4.054 ( -1.135 3.809 2.938) 4.943 4.089 ( -2.510 -0.793 -2.800) 3.843 4.441 ( 1.355 -0.806 -6.726) 6.908 4.506 ( 6.390 -4.250 4.827) 9.066 4.759 ( 1.080 0.471 -1.481) 1.893 5.004 ( 2.546 0.005 -7.249) 7.683 5.096 ( -2.460 -1.564 -2.922) 4.128 5.279 ( 1.520 -0.758 -5.990) 6.226 5.442 ( -0.604 0.481 0.271) 0.819 5.487 ( -0.050 1.125 2.256) 2.522 5.529 ( 2.106 1.175 -0.032) 2.412 5.642 ( -0.697 -1.380 0.173) 1.556 5.767 ( -1.866 3.087 -0.183) 3.612 5.781 ( -0.570 3.571 0.012) 3.616 5.830 ( -0.486 2.165 -1.690) 2.789 6.009 ( 0.272 1.383 -1.197) 1.849 6.093 ( -3.187 3.254 3.014) 5.462 6.193 ( 0.287 1.197 1.890) 2.255 6.602 ( -1.366 1.020 1.966) 2.602 6.814 ( 0.375 0.342 -1.401) 1.490 6.884 ( 1.657 -4.539 1.945) 5.209 6.984 ( 1.148 -2.448 -0.703) 2.794 ======================= Grid point 175 (88/170) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -17.476 11.969 5.961) 22.004 1.503 ( -12.286 13.600 12.644) 22.266 2.397 ( -2.987 5.776 4.110) 7.693 2.428 ( -1.712 -8.084 -0.293) 8.268 2.654 ( -9.769 11.714 9.166) 17.795 2.692 ( -3.901 10.078 1.642) 10.931 2.927 ( -3.707 1.209 1.410) 4.146 3.014 ( -10.862 2.883 1.357) 11.319 3.241 ( -8.116 6.465 9.011) 13.742 3.358 ( 1.387 -8.069 -1.755) 8.373 3.426 ( 6.530 2.939 -3.224) 7.853 3.718 ( 5.547 -4.237 -1.842) 7.219 3.842 ( 8.030 -9.604 -9.155) 15.509 3.943 ( -0.286 -0.795 -1.600) 1.810 4.020 ( 0.158 -0.717 1.404) 1.584 4.091 ( -1.812 -2.879 2.946) 4.500 4.447 ( 2.588 -5.859 -0.985) 6.480 4.607 ( 1.054 -7.291 0.208) 7.370 4.817 ( 4.857 3.101 0.408) 5.777 5.009 ( 4.219 0.059 -4.921) 6.482 5.051 ( -0.097 -0.300 -0.565) 0.647 5.273 ( 2.781 -0.240 -3.199) 4.246 5.408 ( -3.019 0.787 1.473) 3.450 5.521 ( 1.635 1.628 0.512) 2.363 5.559 ( 0.841 0.260 -0.162) 0.895 5.631 ( -0.581 -0.349 0.097) 0.684 5.730 ( -1.554 3.781 0.088) 4.089 5.784 ( 0.408 4.743 0.633) 4.803 5.813 ( -0.077 2.982 -1.068) 3.168 5.977 ( -3.323 1.554 0.451) 3.696 6.062 ( -1.736 4.296 0.996) 4.739 6.199 ( -1.347 0.847 1.696) 2.326 6.596 ( -1.142 0.998 1.895) 2.427 6.806 ( -0.457 -0.319 -0.137) 0.574 6.922 ( 1.512 -4.392 -0.639) 4.689 6.998 ( 1.264 -2.377 -1.520) 3.092 ======================= Grid point 176 (89/170) ======================= q-point: (-0.12 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -5.549 18.815 11.555) 22.767 1.475 ( -5.778 15.705 17.944) 24.536 2.302 ( -6.422 7.774 2.910) 10.495 2.496 ( -8.761 14.630 8.644) 19.118 2.527 ( 0.009 -2.436 10.361) 10.643 2.575 ( -8.049 10.690 -2.071) 13.541 2.864 ( -3.330 5.624 2.655) 7.055 2.923 ( -1.481 -4.736 1.779) 5.271 3.171 ( -7.765 5.853 9.076) 13.301 3.375 ( 3.046 -9.703 -4.577) 11.152 3.512 ( 5.497 1.367 -5.499) 7.894 3.769 ( 0.273 -3.499 -1.985) 4.032 3.890 ( 3.245 -3.539 -2.268) 5.310 3.935 ( 3.001 -8.430 -6.706) 11.182 4.028 ( -1.638 -3.578 0.303) 3.947 4.154 ( 6.859 -2.517 4.304) 8.480 4.483 ( -1.361 -8.901 3.217) 9.562 4.578 ( -0.466 -6.597 -4.336) 7.908 4.906 ( 3.628 2.378 0.656) 4.387 5.076 ( 2.791 1.343 0.043) 3.098 5.104 ( 6.696 -1.995 1.614) 7.171 5.323 ( 3.582 0.188 -0.650) 3.646 5.368 ( -2.897 1.949 2.322) 4.193 5.522 ( -0.683 0.841 -3.289) 3.463 5.577 ( 0.431 0.190 2.412) 2.457 5.621 ( -0.399 -0.475 -0.113) 0.630 5.716 ( 0.052 4.303 -0.065) 4.304 5.802 ( 1.501 4.459 -1.623) 4.977 5.821 ( 0.644 4.883 3.091) 5.815 5.909 ( -3.929 3.642 1.345) 5.523 6.045 ( -0.798 3.494 0.478) 3.616 6.175 ( -2.470 0.625 1.438) 2.925 6.592 ( -1.013 0.942 1.748) 2.229 6.796 ( -1.081 -1.394 1.131) 2.095 6.928 ( 0.970 -2.994 -3.129) 4.438 6.998 ( 0.526 -2.255 -2.524) 3.425 ======================= Grid point 177 (90/170) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 6.342 17.740 13.375) 23.105 1.928 ( 2.000 19.483 11.514) 22.720 2.302 ( 1.613 -5.181 5.542) 7.756 2.551 ( -1.748 0.418 0.432) 1.849 2.605 ( 3.038 -0.385 6.447) 7.137 2.691 ( -1.482 4.342 1.398) 4.796 2.924 ( -2.769 2.050 -0.884) 3.557 3.048 ( -3.600 13.213 5.044) 14.594 3.151 ( -5.396 2.859 6.408) 8.852 3.242 ( 2.422 -1.025 -4.377) 5.107 3.549 ( -2.024 -3.670 -2.377) 4.818 3.610 ( -2.309 1.015 0.039) 2.523 3.724 ( 2.819 -9.239 -9.724) 13.706 3.873 ( 0.722 -4.598 -0.337) 4.667 3.966 ( -0.442 -2.149 -0.743) 2.317 4.229 ( -5.960 -9.543 -1.106) 11.306 4.311 ( 5.624 -0.511 8.422) 10.140 4.443 ( 2.027 -9.111 10.389) 13.966 5.030 ( 2.821 4.391 -0.550) 5.248 5.167 ( 2.706 0.478 -0.502) 2.794 5.206 ( 5.399 0.741 -0.849) 5.515 5.344 ( 0.629 -0.845 -1.498) 1.831 5.398 ( 0.035 1.726 -0.596) 1.826 5.464 ( -1.902 -0.112 -5.006) 5.356 5.585 ( -0.843 -0.619 1.957) 2.219 5.613 ( 0.600 -1.088 1.880) 2.253 5.799 ( 0.687 3.455 -0.532) 3.563 5.864 ( 1.214 0.723 -1.607) 2.140 5.960 ( 0.608 3.793 2.782) 4.743 5.969 ( 0.532 3.542 1.696) 3.963 6.097 ( -0.729 2.534 2.338) 3.524 6.148 ( -2.353 0.258 1.323) 2.712 6.619 ( -0.913 2.319 1.533) 2.926 6.736 ( -1.524 -3.068 2.171) 4.056 6.886 ( 1.050 -0.398 -4.433) 4.573 6.937 ( 0.250 -2.351 -3.006) 3.824 ======================= Grid point 178 (91/170) ======================= q-point: ( 0.12 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 7.144 13.732 11.324) 19.179 2.096 ( 5.303 17.152 11.090) 21.102 2.360 ( 3.724 8.159 -3.615) 9.670 2.544 ( -1.576 6.500 3.569) 7.581 2.691 ( 0.016 -2.579 4.510) 5.195 2.765 ( 3.878 -7.842 8.768) 12.386 2.887 ( 2.384 -2.699 -3.597) 5.089 3.001 ( -5.009 -2.873 1.600) 5.992 3.178 ( 1.406 12.531 6.288) 14.090 3.274 ( 4.598 5.374 -1.661) 7.265 3.445 ( -8.469 0.340 1.384) 8.588 3.542 ( -3.196 4.077 -3.388) 6.190 3.676 ( 2.254 -9.888 -8.931) 13.514 3.913 ( -0.646 -7.414 2.584) 7.878 3.973 ( 3.684 -5.578 -1.868) 6.940 4.103 ( -5.383 -8.292 -0.513) 9.900 4.478 ( 3.723 -0.252 9.207) 9.935 4.598 ( 3.760 -7.427 10.590) 13.470 5.040 ( 0.182 5.585 -4.519) 7.187 5.147 ( -2.169 2.675 -5.204) 6.241 5.278 ( 2.272 -1.277 -1.879) 3.213 5.304 ( -1.513 1.464 -1.400) 2.528 5.398 ( -0.573 -0.290 -3.085) 3.151 5.423 ( 2.159 -1.368 -1.176) 2.813 5.583 ( -1.098 0.759 2.011) 2.414 5.633 ( -0.685 -0.864 2.330) 2.578 5.814 ( 1.462 2.335 -0.697) 2.842 5.873 ( 1.345 -0.348 -2.127) 2.540 5.985 ( 0.066 4.130 1.838) 4.521 6.013 ( 1.746 2.981 2.112) 4.049 6.115 ( -2.036 1.275 0.716) 2.507 6.121 ( 0.570 1.229 2.707) 3.027 6.618 ( -0.660 2.210 1.687) 2.858 6.730 ( -1.089 -2.837 2.050) 3.666 6.860 ( 0.443 -0.290 -4.070) 4.105 6.913 ( -0.158 -2.366 -2.284) 3.292 ======================= Grid point 179 (92/170) ======================= q-point: ( 0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 5.069 12.512 8.225) 15.808 2.288 ( 1.322 12.508 9.610) 15.829 2.399 ( 5.578 8.852 -6.074) 12.098 2.508 ( -2.472 11.259 3.254) 11.978 2.764 ( 3.741 -8.102 0.987) 8.978 2.873 ( -6.529 -2.470 1.416) 7.123 2.917 ( 2.645 -9.474 5.369) 11.206 2.960 ( 3.777 -7.914 0.551) 8.786 3.227 ( 2.819 6.028 -6.458) 9.273 3.269 ( -5.154 1.687 -2.773) 6.091 3.391 ( 0.949 4.943 -1.060) 5.143 3.504 ( 2.417 13.003 8.725) 15.844 3.653 ( 1.107 -8.822 -3.261) 9.470 3.880 ( -1.946 -3.772 -0.571) 4.282 4.002 ( -1.490 -7.728 0.347) 7.878 4.099 ( 2.705 -6.588 5.295) 8.875 4.609 ( 1.544 0.736 7.015) 7.221 4.732 ( 1.710 -4.964 4.754) 7.083 4.961 ( -1.783 3.838 -8.874) 9.831 5.015 ( -5.063 1.102 -5.239) 7.369 5.246 ( -1.078 1.402 -2.943) 3.434 5.299 ( -0.018 -0.495 0.359) 0.612 5.385 ( 1.043 0.778 -2.384) 2.716 5.439 ( 0.540 -1.364 -1.192) 1.891 5.581 ( -0.381 1.310 0.619) 1.498 5.633 ( -0.807 -0.839 1.232) 1.695 5.831 ( 0.956 1.360 -1.391) 2.167 5.878 ( 1.439 -0.974 -2.310) 2.890 5.992 ( -0.581 4.429 0.664) 4.516 6.065 ( 1.434 1.161 0.586) 1.936 6.081 ( -1.403 3.538 0.964) 3.926 6.151 ( -0.293 0.125 2.641) 2.660 6.624 ( -0.407 1.893 2.023) 2.801 6.731 ( -0.615 -2.707 1.807) 3.312 6.837 ( 0.490 -0.067 -2.955) 2.996 6.896 ( 0.161 -2.622 -1.238) 2.904 ======================= Grid point 180 (93/170) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -10.019 11.952 2.943) 15.871 2.361 ( 4.732 11.475 6.928) 14.215 2.489 ( 7.555 5.601 -8.423) 12.625 2.580 ( 0.667 7.313 7.729) 10.662 2.688 ( -10.667 2.040 -1.958) 11.035 2.734 ( -4.112 -10.910 -5.496) 12.890 2.980 ( 1.792 -6.724 3.653) 7.859 3.084 ( 3.912 -6.324 5.219) 9.085 3.171 ( -1.430 1.429 -6.901) 7.191 3.255 ( 6.139 -1.155 -1.979) 6.553 3.383 ( 0.836 3.634 -0.290) 3.740 3.578 ( -1.107 -5.312 -0.660) 5.466 3.757 ( 3.811 7.708 9.239) 12.621 3.868 ( 1.778 0.261 -0.930) 2.023 4.004 ( 1.408 -5.388 4.294) 7.032 4.193 ( 0.168 -2.857 7.957) 8.456 4.571 ( -8.214 4.830 -2.851) 9.946 4.737 ( -1.981 -1.423 -6.746) 7.174 4.810 ( -2.778 2.952 -5.116) 6.528 4.965 ( 1.176 -5.738 -1.906) 6.160 5.212 ( -0.786 1.831 -1.243) 2.348 5.293 ( -0.149 -1.347 -1.626) 2.117 5.395 ( 1.777 1.555 -0.246) 2.374 5.431 ( 0.012 -0.894 -0.807) 1.205 5.576 ( -0.114 1.268 -0.990) 1.613 5.626 ( -0.437 -1.304 -0.367) 1.423 5.826 ( 0.550 1.402 -2.207) 2.672 5.886 ( 0.934 -0.548 -1.572) 1.909 5.967 ( -2.056 3.899 -1.091) 4.541 6.034 ( -0.914 1.427 -1.452) 2.232 6.127 ( 1.656 2.453 2.452) 3.843 6.160 ( -0.992 0.406 2.923) 3.114 6.635 ( -0.535 1.864 2.200) 2.933 6.741 ( 0.080 -2.931 1.734) 3.407 6.827 ( 0.660 0.327 -1.820) 1.963 6.897 ( 0.689 -2.954 -0.539) 3.081 ======================= Grid point 181 (94/170) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( -10.760 13.754 3.314) 17.775 2.322 ( -16.302 6.303 -5.722) 18.391 2.460 ( -1.517 1.357 -6.646) 6.951 2.516 ( 2.787 6.680 1.579) 7.408 2.617 ( -1.389 -12.850 -3.206) 13.316 2.738 ( 1.002 4.794 8.458) 9.774 3.031 ( 2.446 -0.153 0.629) 2.531 3.130 ( 1.620 -0.596 -2.359) 2.923 3.187 ( 2.588 -4.981 4.156) 6.984 3.377 ( 7.069 -5.029 -3.153) 9.231 3.406 ( 1.448 3.781 1.679) 4.384 3.540 ( -3.259 -3.012 1.207) 4.599 3.796 ( -3.380 0.658 4.203) 5.434 3.911 ( 1.447 -0.040 2.220) 2.651 4.137 ( 2.078 4.618 6.805) 8.482 4.256 ( -0.540 -3.982 9.222) 10.060 4.339 ( -9.217 6.676 -6.533) 13.123 4.544 ( -6.304 -1.634 -10.300) 12.187 4.786 ( 0.604 1.895 -2.285) 3.029 4.970 ( 2.900 -5.117 -5.750) 8.226 5.170 ( -1.679 1.582 -3.379) 4.091 5.270 ( 0.394 -2.386 -3.989) 4.664 5.442 ( 1.200 0.636 0.852) 1.604 5.450 ( 2.336 0.286 2.318) 3.303 5.556 ( -0.377 1.428 -2.022) 2.504 5.613 ( 0.007 -1.789 -1.289) 2.205 5.817 ( 0.267 1.457 -1.731) 2.278 5.878 ( -0.304 -0.052 -1.623) 1.652 5.910 ( -2.149 4.812 -0.894) 5.346 6.019 ( 0.393 -0.206 -1.425) 1.493 6.158 ( -1.049 2.197 3.119) 3.957 6.184 ( 0.958 0.987 2.193) 2.589 6.641 ( -0.922 2.317 2.094) 3.256 6.765 ( 0.557 -3.670 2.034) 4.233 6.827 ( 0.749 0.786 -1.398) 1.770 6.910 ( 1.098 -3.197 -0.456) 3.411 ======================= Grid point 182 (95/170) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -12.031 13.901 2.972) 18.623 1.983 ( -13.631 12.759 -1.265) 18.713 2.303 ( -5.195 -9.056 -6.218) 12.152 2.574 ( -1.286 7.850 4.091) 8.945 2.586 ( -1.305 -13.991 -0.091) 14.052 2.801 ( 0.471 5.168 3.983) 6.542 3.089 ( 2.218 -0.685 -0.203) 2.330 3.162 ( 2.958 5.791 -2.439) 6.946 3.267 ( 1.450 -1.400 6.352) 6.664 3.404 ( -4.466 2.270 1.617) 5.265 3.459 ( -1.459 -1.338 0.658) 2.086 3.505 ( 5.904 -7.273 -3.309) 9.934 3.763 ( -3.850 7.206 4.189) 9.181 3.961 ( 1.414 -0.266 1.923) 2.401 4.095 ( -6.472 1.045 -6.365) 9.137 4.137 ( -6.311 5.028 7.133) 10.770 4.326 ( -4.346 -9.123 -1.586) 10.229 4.417 ( 0.370 -5.350 2.781) 6.041 4.804 ( 4.013 3.818 -2.394) 6.035 4.974 ( 3.144 -3.373 -6.200) 7.727 5.108 ( -0.628 2.710 -3.903) 4.793 5.241 ( 1.270 -3.010 -5.179) 6.123 5.462 ( -0.260 1.594 -0.179) 1.625 5.502 ( 1.471 0.250 1.338) 2.004 5.550 ( 1.377 1.084 -0.708) 1.890 5.608 ( 0.618 -1.957 -1.013) 2.289 5.805 ( -0.295 1.990 -0.833) 2.177 5.857 ( 0.017 0.378 -1.550) 1.596 5.884 ( -0.573 5.511 0.185) 5.544 6.013 ( -0.244 -0.958 -0.712) 1.218 6.157 ( -1.770 3.092 2.532) 4.371 6.211 ( -0.179 0.454 1.891) 1.953 6.638 ( -1.207 2.708 1.890) 3.516 6.785 ( -0.985 -4.298 2.466) 5.052 6.837 ( 2.315 0.835 -2.022) 3.185 6.929 ( 1.500 -3.171 -0.946) 3.633 ======================= Grid point 183 (96/170) ======================= q-point: (-0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -11.740 14.609 5.587) 19.557 1.833 ( -6.177 19.711 5.876) 21.475 2.203 ( -2.791 -13.343 1.676) 13.734 2.549 ( -3.639 -0.302 2.970) 4.707 2.566 ( -0.761 -5.359 0.645) 5.451 2.831 ( -0.197 3.303 0.781) 3.400 3.086 ( -3.351 3.893 0.088) 5.138 3.155 ( -2.720 11.867 0.570) 12.188 3.267 ( -6.151 1.263 -0.269) 6.285 3.326 ( -4.465 2.884 7.478) 9.175 3.475 ( 3.684 -2.408 -0.673) 4.453 3.610 ( 5.470 -6.287 -1.503) 8.468 3.727 ( 1.219 3.239 -5.293) 6.324 3.965 ( -1.121 1.284 -1.898) 2.551 4.010 ( -0.615 -0.460 1.155) 1.387 4.076 ( -4.949 2.587 5.355) 7.737 4.257 ( -1.715 -13.140 3.047) 13.598 4.429 ( -2.845 -11.020 3.094) 11.794 4.882 ( 4.777 3.455 -0.562) 5.922 4.988 ( 3.398 -1.889 -3.317) 5.110 5.097 ( 2.699 4.109 -3.155) 5.841 5.246 ( 3.362 -2.582 -3.150) 5.282 5.442 ( -1.271 2.663 0.117) 2.953 5.537 ( 1.160 -0.433 1.122) 1.671 5.567 ( 0.702 0.747 -1.505) 1.821 5.610 ( 0.529 -1.552 -1.592) 2.285 5.795 ( -0.197 3.102 -0.140) 3.111 5.853 ( 0.636 0.899 -1.119) 1.570 5.887 ( 0.461 5.312 0.943) 5.414 5.995 ( -1.347 -0.027 0.197) 1.362 6.136 ( -2.389 3.454 1.873) 4.599 6.208 ( -1.777 -0.066 1.772) 2.510 6.631 ( -1.204 2.689 1.722) 3.412 6.772 ( -2.145 -3.519 2.101) 4.625 6.871 ( 3.036 -0.324 -2.732) 4.097 6.947 ( 1.566 -2.927 -1.864) 3.807 ======================= Grid point 184 (97/170) ======================= q-point: (-0.12 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -2.426 18.419 12.372) 22.321 1.827 ( -1.588 20.584 9.291) 22.640 2.223 ( -0.192 -13.661 7.717) 15.691 2.532 ( -0.499 1.550 3.559) 3.914 2.564 ( -0.195 -4.821 0.616) 4.864 2.777 ( -5.116 6.545 -1.623) 8.464 2.987 ( -5.228 6.350 1.625) 8.384 3.094 ( -5.312 16.823 4.130) 18.119 3.208 ( -0.673 -3.087 -2.694) 4.152 3.263 ( -6.073 2.758 5.709) 8.779 3.550 ( 4.006 -0.509 -2.424) 4.710 3.646 ( -0.410 -6.788 -0.886) 6.857 3.721 ( 4.699 -6.860 -8.974) 12.234 3.913 ( -2.283 -0.359 -2.049) 3.088 3.994 ( -2.666 1.331 1.260) 3.235 4.130 ( 5.065 -0.280 6.745) 8.440 4.293 ( -1.187 -9.875 6.680) 11.981 4.381 ( -2.921 -13.104 1.732) 13.537 4.963 ( 3.845 3.158 0.550) 5.006 5.064 ( 5.455 -2.142 1.216) 5.985 5.139 ( 4.168 4.682 -2.861) 6.890 5.301 ( 3.977 -2.458 -1.404) 4.881 5.421 ( -1.648 3.470 1.048) 3.982 5.537 ( -1.178 0.080 -3.908) 4.083 5.569 ( 0.541 -0.756 2.168) 2.359 5.602 ( 0.339 -1.169 -1.483) 1.919 5.795 ( 0.179 3.721 -0.168) 3.729 5.857 ( 0.908 1.197 -1.236) 1.946 5.917 ( 1.103 4.595 2.200) 5.213 5.970 ( -1.568 2.162 1.053) 2.871 6.107 ( -2.106 3.139 1.748) 4.165 6.181 ( -2.529 -0.230 1.689) 3.050 6.624 ( -1.060 2.444 1.589) 3.102 6.750 ( -2.029 -3.264 2.111) 4.385 6.893 ( 2.202 -0.508 -3.863) 4.476 6.951 ( 1.047 -2.605 -2.794) 3.961 ======================= Grid point 185 (98/170) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 3.376 -14.876 12.590) 19.779 2.065 ( 3.376 14.876 12.590) 19.779 2.307 ( 3.582 -17.887 7.058) 19.560 2.307 ( 3.582 17.887 7.058) 19.560 2.742 ( 1.392 -7.232 -2.527) 7.786 2.742 ( 1.392 7.232 -2.527) 7.786 2.962 ( -7.884 -7.815 0.959) 11.142 2.962 ( -7.884 7.815 0.959) 11.142 3.325 ( 1.628 -4.821 -2.965) 5.889 3.325 ( 1.628 4.821 -2.965) 5.889 3.527 ( 2.112 -9.409 -1.619) 9.778 3.527 ( 2.112 9.409 -1.619) 9.778 3.734 ( -3.176 -8.448 0.489) 9.039 3.734 ( -3.176 8.448 0.489) 9.039 4.036 ( -5.112 -9.040 0.142) 10.386 4.036 ( -5.112 9.040 0.142) 10.386 4.328 ( 4.451 -2.770 10.141) 11.416 4.328 ( 4.451 2.770 10.141) 11.416 5.111 ( 3.646 -3.952 0.748) 5.429 5.111 ( 3.646 3.952 0.748) 5.429 5.286 ( 3.605 -4.572 -3.026) 6.562 5.286 ( 3.605 4.572 -3.026) 6.562 5.443 ( -2.087 -2.179 -3.057) 4.295 5.443 ( -2.087 2.179 -3.057) 4.295 5.589 ( 0.145 -1.093 1.910) 2.205 5.589 ( 0.145 1.093 1.910) 2.205 5.852 ( 0.575 -1.907 -1.108) 2.279 5.852 ( 0.575 1.907 -1.108) 2.279 6.002 ( 0.593 -0.311 2.194) 2.294 6.002 ( 0.593 0.311 2.194) 2.294 6.137 ( -1.619 -1.470 1.959) 2.936 6.137 ( -1.619 1.470 1.959) 2.936 6.674 ( -1.048 -3.269 1.613) 3.793 6.674 ( -1.048 3.269 1.613) 3.793 6.897 ( 0.634 -1.542 -3.614) 3.980 6.897 ( 0.634 1.542 -3.614) 3.980 ======================= Grid point 187 (99/170) ======================= q-point: ( 0.12 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 4.298 -8.421 9.255) 13.231 2.238 ( 4.298 8.421 9.255) 13.231 2.477 ( 6.380 -11.517 7.883) 15.345 2.477 ( 6.380 11.517 7.883) 15.345 2.740 ( 0.614 -9.364 -2.747) 9.778 2.740 ( 0.614 9.364 -2.747) 9.778 2.836 ( -5.396 -11.146 0.386) 12.389 2.836 ( -5.396 11.146 0.386) 12.389 3.351 ( 3.059 -7.343 -1.514) 8.097 3.351 ( 3.059 7.343 -1.514) 8.097 3.518 ( -0.942 -4.634 -7.546) 8.906 3.518 ( -0.942 4.634 -7.546) 8.906 3.718 ( -0.307 -12.297 8.130) 14.745 3.718 ( -0.307 12.297 8.130) 14.745 3.949 ( -3.564 -4.679 -0.815) 5.938 3.949 ( -3.564 4.679 -0.815) 5.938 4.500 ( 4.074 -2.813 10.065) 11.217 4.500 ( 4.074 2.813 10.065) 11.217 5.134 ( -0.392 -3.784 -4.382) 5.803 5.134 ( -0.392 3.784 -4.382) 5.803 5.296 ( 0.278 -2.207 -3.104) 3.819 5.296 ( 0.278 2.207 -3.104) 3.819 5.401 ( 0.722 -0.779 -1.720) 2.022 5.401 ( 0.722 0.779 -1.720) 2.022 5.606 ( -0.667 -1.582 2.519) 3.048 5.606 ( -0.667 1.582 2.519) 3.048 5.854 ( 0.902 -1.645 -1.622) 2.480 5.854 ( 0.902 1.645 -1.622) 2.480 6.035 ( 0.847 -0.863 1.838) 2.200 6.035 ( 0.847 0.863 1.838) 2.200 6.132 ( -0.862 -0.286 1.949) 2.150 6.132 ( -0.862 0.286 1.949) 2.150 6.671 ( -0.731 -3.177 1.559) 3.613 6.671 ( -0.731 3.177 1.559) 3.613 6.872 ( 0.082 -1.560 -3.065) 3.440 6.872 ( 0.082 1.560 -3.065) 3.440 ======================= Grid point 189 (100/170) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 4.882 -5.541 6.890) 10.100 2.395 ( 4.882 5.541 6.890) 10.100 2.579 ( -1.712 -10.263 -1.687) 10.541 2.579 ( -1.712 10.263 -1.687) 10.541 2.727 ( -0.122 -10.751 0.020) 10.751 2.727 ( -0.122 10.751 0.020) 10.751 2.823 ( 2.984 -3.212 4.537) 6.309 2.823 ( 2.984 3.212 4.537) 6.309 3.359 ( -6.405 -4.662 -4.524) 9.123 3.359 ( -6.405 4.662 -4.524) 9.123 3.413 ( 4.267 -10.599 -4.459) 12.265 3.413 ( 4.267 10.599 -4.459) 12.265 3.847 ( 0.472 -10.018 9.658) 13.923 3.847 ( 0.472 10.018 9.658) 13.923 3.903 ( 2.207 -7.241 0.586) 7.593 3.903 ( 2.207 7.241 0.586) 7.593 4.648 ( 2.941 -3.301 6.740) 8.061 4.648 ( 2.941 3.301 6.740) 8.061 5.017 ( -4.738 -1.473 -8.581) 9.913 5.017 ( -4.738 1.473 -8.581) 9.913 5.274 ( -0.480 -1.633 -1.014) 1.981 5.274 ( -0.480 1.633 -1.014) 1.981 5.412 ( 1.184 -1.604 -1.520) 2.507 5.412 ( 1.184 1.604 -1.520) 2.507 5.608 ( -0.751 -1.533 1.155) 2.061 5.608 ( -0.751 1.533 1.155) 2.061 5.856 ( 1.119 -1.230 -2.128) 2.701 5.856 ( 1.119 1.230 -2.128) 2.701 6.055 ( -0.087 -1.996 0.134) 2.002 6.055 ( -0.087 1.996 0.134) 2.002 6.137 ( -0.510 -1.829 2.371) 3.038 6.137 ( -0.510 1.829 2.371) 3.038 6.674 ( -0.460 -3.053 1.630) 3.491 6.674 ( -0.460 3.053 1.630) 3.491 6.852 ( 0.287 -1.708 -1.980) 2.631 6.852 ( 0.287 1.708 -1.980) 2.631 ======================= Grid point 191 (101/170) ======================= q-point: ( 0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( -5.654 -12.088 -1.266) 13.404 2.459 ( -5.654 12.088 -1.266) 13.404 2.555 ( 3.942 -7.448 4.442) 9.526 2.555 ( 3.942 7.448 4.442) 9.526 2.659 ( -3.861 -3.496 -7.098) 8.804 2.659 ( -3.861 3.496 -7.098) 8.804 2.960 ( 3.569 -5.134 7.097) 9.459 2.960 ( 3.569 5.134 7.097) 9.459 3.223 ( -1.325 -3.479 -4.674) 5.976 3.223 ( -1.325 3.479 -4.674) 5.976 3.469 ( 2.819 -5.271 -0.423) 5.993 3.469 ( 2.819 5.271 -0.423) 5.993 3.836 ( -2.470 -4.154 3.280) 5.841 3.836 ( -2.470 4.154 3.280) 5.841 4.073 ( 5.646 -9.180 8.363) 13.642 4.073 ( 5.646 9.180 8.363) 13.642 4.672 ( -4.229 -5.003 -3.647) 7.497 4.672 ( -4.229 5.003 -3.647) 7.497 4.874 ( -1.751 -3.779 -4.191) 5.908 4.874 ( -1.751 3.779 -4.191) 5.908 5.254 ( -0.479 -2.424 -1.899) 3.117 5.254 ( -0.479 2.424 -1.899) 3.117 5.418 ( 0.769 -0.836 -0.189) 1.152 5.418 ( 0.769 0.836 -0.189) 1.152 5.600 ( -0.313 -1.282 -0.744) 1.514 5.600 ( -0.313 1.282 -0.744) 1.514 5.858 ( 1.083 -1.835 -2.285) 3.124 5.858 ( 1.083 1.835 -2.285) 3.124 6.029 ( -1.614 -1.955 -1.423) 2.907 6.029 ( -1.614 1.955 -1.423) 2.907 6.159 ( 0.210 -0.777 2.867) 2.978 6.159 ( 0.210 0.777 2.867) 2.978 6.683 ( -0.212 -2.977 1.858) 3.515 6.683 ( -0.212 2.977 1.858) 3.515 6.848 ( 0.677 -1.934 -1.142) 2.346 6.848 ( 0.677 1.934 -1.142) 2.346 ======================= Grid point 193 (102/170) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -7.639 -14.369 -1.962) 16.392 2.322 ( -7.639 14.369 -1.962) 16.392 2.431 ( -8.546 -4.570 -7.520) 12.266 2.431 ( -8.546 4.570 -7.520) 12.266 2.692 ( 2.527 -8.452 5.311) 10.297 2.692 ( 2.527 8.452 5.311) 10.297 3.067 ( 3.274 -5.681 3.589) 7.474 3.067 ( 3.274 5.681 3.589) 7.474 3.232 ( 5.266 -7.776 -4.003) 10.209 3.232 ( 5.266 7.776 -4.003) 10.209 3.493 ( -1.316 -3.313 2.079) 4.127 3.493 ( -1.316 3.313 2.079) 4.127 3.848 ( 0.148 -4.637 4.411) 6.401 3.848 ( 0.148 4.637 4.411) 6.401 4.204 ( -0.358 -2.580 7.918) 8.335 4.204 ( -0.358 2.580 7.918) 8.335 4.468 ( -9.217 -6.008 -7.379) 13.248 4.468 ( -9.217 6.008 -7.379) 13.248 4.860 ( 2.521 -5.571 -3.743) 7.169 4.860 ( 2.521 5.571 -3.743) 7.169 5.216 ( -0.604 -2.943 -4.110) 5.091 5.216 ( -0.604 2.943 -4.110) 5.091 5.451 ( 1.849 -0.290 1.665) 2.505 5.451 ( 1.849 0.290 1.665) 2.505 5.582 ( -0.095 -1.421 -2.018) 2.470 5.582 ( -0.095 1.421 -2.018) 2.470 5.852 ( 0.328 -1.973 -2.006) 2.833 5.852 ( 0.328 1.973 -2.006) 2.833 5.990 ( -1.034 -2.970 -1.106) 3.333 5.990 ( -1.034 2.970 -1.106) 3.333 6.188 ( 0.111 -0.708 2.583) 2.681 6.188 ( 0.111 0.708 2.583) 2.681 6.696 ( -0.290 -3.384 1.994) 3.938 6.696 ( -0.290 3.384 1.994) 3.938 6.855 ( 1.038 -2.293 -0.910) 2.677 6.855 ( 1.038 2.293 -0.910) 2.677 ======================= Grid point 195 (103/170) ======================= q-point: (-0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -10.576 -11.416 -3.700) 15.996 2.105 ( -10.576 11.416 -3.700) 15.996 2.276 ( -4.963 -16.874 0.202) 17.590 2.276 ( -4.963 16.874 0.202) 17.590 2.748 ( -0.605 -8.466 3.313) 9.112 2.748 ( -0.605 8.466 3.313) 9.112 3.157 ( 3.684 -7.550 1.415) 8.519 3.157 ( 3.684 7.550 1.415) 8.519 3.317 ( 6.774 -8.551 -4.615) 11.845 3.317 ( 6.774 8.551 -4.615) 11.845 3.460 ( -4.143 -2.611 3.483) 6.010 3.460 ( -4.143 2.611 3.483) 6.010 3.912 ( 1.507 -5.847 5.944) 8.473 3.912 ( 1.507 5.847 5.944) 8.473 4.146 ( -8.719 -5.160 -2.679) 10.480 4.146 ( -8.719 5.160 -2.679) 10.480 4.287 ( -6.370 -7.073 3.299) 10.074 4.287 ( -6.370 7.073 3.299) 10.074 4.892 ( 4.295 -4.914 -4.079) 7.696 4.892 ( 4.295 4.914 -4.079) 7.696 5.174 ( 0.740 -3.787 -4.477) 5.910 5.174 ( 0.740 3.787 -4.477) 5.910 5.493 ( 1.046 -1.240 0.247) 1.641 5.493 ( 1.046 1.240 0.247) 1.641 5.574 ( 1.070 -1.512 -1.407) 2.326 5.574 ( 1.070 1.512 -1.407) 2.326 5.843 ( 0.294 -1.664 -1.159) 2.049 5.843 ( 0.294 1.664 -1.159) 2.049 5.971 ( -0.375 -3.433 -0.283) 3.465 5.971 ( -0.375 3.433 -0.283) 3.465 6.202 ( -0.933 -1.482 2.156) 2.777 6.202 ( -0.933 1.482 2.156) 2.777 6.703 ( -0.912 -4.020 1.904) 4.540 6.703 ( -0.912 4.020 1.904) 4.540 6.872 ( 1.724 -2.581 -1.303) 3.366 6.872 ( 1.724 2.581 -1.303) 3.366 ======================= Grid point 197 (104/170) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -7.029 -14.886 3.923) 16.923 1.930 ( -7.029 14.886 3.923) 16.923 2.217 ( -2.633 -19.714 2.442) 20.038 2.217 ( -2.633 19.714 2.442) 20.038 2.746 ( -0.965 -9.381 0.772) 9.462 2.746 ( -0.965 9.381 0.772) 9.462 3.203 ( -1.364 -6.525 0.634) 6.696 3.203 ( -1.364 6.525 0.634) 6.696 3.338 ( -0.714 -8.038 -1.605) 8.227 3.338 ( -0.714 8.038 -1.605) 8.227 3.466 ( 2.913 -8.660 -0.042) 9.137 3.466 ( 2.913 8.660 -0.042) 9.137 3.942 ( -7.699 -10.620 -3.969) 13.705 3.942 ( -7.699 10.620 -3.969) 13.705 4.010 ( 2.961 -4.645 6.744) 8.708 4.010 ( 2.961 4.645 6.744) 8.708 4.213 ( -6.217 -10.461 5.062) 13.179 4.213 ( -6.217 10.461 5.062) 13.179 4.943 ( 4.049 -2.824 -1.962) 5.312 4.943 ( 4.049 2.824 -1.962) 5.312 5.180 ( 3.407 -4.183 -3.158) 6.252 5.180 ( 3.407 4.183 -3.158) 6.252 5.500 ( 0.145 -3.026 -0.242) 3.039 5.500 ( 0.145 3.026 -0.242) 3.039 5.585 ( 0.968 -1.022 -1.638) 2.160 5.585 ( 0.968 1.022 -1.638) 2.160 5.844 ( 0.557 -1.717 -0.574) 1.895 5.844 ( 0.557 1.717 -0.574) 1.895 5.968 ( -0.103 -2.898 0.575) 2.956 5.968 ( -0.103 2.898 0.575) 2.956 6.189 ( -2.233 -1.979 1.929) 3.553 6.189 ( -2.233 1.979 1.929) 3.553 6.696 ( -1.479 -3.999 1.748) 4.608 6.696 ( -1.479 3.999 1.748) 4.608 6.894 ( 2.143 -2.288 -2.241) 3.854 6.894 ( 2.143 2.288 -2.241) 3.854 ======================= Grid point 199 (105/170) ======================= q-point: (-0.12 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -0.921 -16.890 11.279) 20.331 1.924 ( -0.921 16.890 11.279) 20.331 2.223 ( 0.109 -19.925 4.439) 20.413 2.223 ( 0.109 19.925 4.439) 20.413 2.739 ( 0.484 -9.018 -1.067) 9.094 2.739 ( 0.484 9.018 -1.067) 9.094 3.106 ( -8.063 -6.021 1.367) 10.155 3.106 ( -8.063 6.021 1.367) 10.155 3.331 ( 1.162 -7.466 -2.898) 8.092 3.331 ( 1.162 7.466 -2.898) 8.092 3.504 ( 1.621 -7.876 -1.007) 8.104 3.504 ( 1.621 7.876 -1.007) 8.104 3.804 ( -3.853 -9.848 -2.467) 10.859 3.804 ( -3.853 9.848 -2.467) 10.859 4.123 ( -3.684 -8.756 3.839) 10.246 4.123 ( -3.684 8.756 3.839) 10.246 4.164 ( 2.377 -1.118 7.513) 7.959 4.164 ( 2.377 1.118 7.513) 7.959 5.019 ( 4.492 -2.683 0.834) 5.298 5.019 ( 4.492 2.683 0.834) 5.298 5.232 ( 4.334 -4.606 -2.489) 6.797 5.232 ( 4.334 4.606 -2.489) 6.797 5.493 ( -0.916 -3.726 -0.775) 3.914 5.493 ( -0.916 3.726 -0.775) 3.914 5.580 ( 0.288 -1.202 -1.144) 1.685 5.580 ( 0.288 1.202 -1.144) 1.685 5.850 ( 0.544 -1.841 -0.645) 2.025 5.850 ( 0.544 1.841 -0.645) 2.025 5.978 ( 0.149 -1.482 1.552) 2.151 5.978 ( 0.149 1.482 1.552) 2.151 6.159 ( -2.479 -2.083 1.915) 3.762 6.159 ( -2.479 2.083 1.915) 3.762 6.683 ( -1.417 -3.558 1.667) 4.177 6.683 ( -1.417 3.558 1.667) 4.177 6.907 ( 1.616 -1.785 -3.240) 4.037 6.907 ( 1.616 1.785 -3.240) 4.037 ======================= Grid point 225 (106/170) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 7.265 0.000 16.943) 18.434 1.481 ( -7.449 0.000 19.698) 21.059 1.881 ( -5.505 0.000 -9.844) 11.279 2.102 ( 3.267 0.000 -9.744) 10.277 2.614 ( -2.721 0.000 30.647) 30.767 2.848 ( -4.056 0.000 7.847) 8.833 3.091 ( -11.682 0.000 9.406) 14.999 3.114 ( 0.375 0.000 5.655) 5.667 3.206 ( 7.214 0.000 7.574) 10.460 3.355 ( 1.862 0.000 -6.869) 7.117 3.542 ( 0.094 0.000 -6.203) 6.204 3.588 ( 1.129 0.000 -5.321) 5.439 3.880 ( -4.458 0.000 -7.194) 8.463 3.987 ( 4.659 0.000 -9.600) 10.671 4.108 ( 1.145 0.000 0.857) 1.430 4.296 ( 1.896 0.000 -8.404) 8.616 4.680 ( -4.145 0.000 8.934) 9.849 4.713 ( 13.388 0.000 2.738) 13.665 4.939 ( -1.963 0.000 -1.070) 2.235 5.146 ( -3.889 0.000 -6.954) 7.967 5.231 ( 0.571 0.000 0.677) 0.886 5.263 ( 0.171 0.000 -0.039) 0.175 5.345 ( 0.225 0.000 -0.381) 0.443 5.386 ( 2.770 0.000 -2.152) 3.508 5.571 ( -3.110 0.000 2.189) 3.803 5.634 ( 2.954 0.000 -0.698) 3.035 5.697 ( -3.415 0.000 1.869) 3.893 5.709 ( 3.234 0.000 1.264) 3.472 5.824 ( -2.107 0.000 3.735) 4.288 5.915 ( 0.987 0.000 -1.363) 1.683 6.015 ( 7.825 0.000 3.246) 8.471 6.113 ( -3.743 0.000 -0.974) 3.867 6.630 ( -0.819 0.000 2.909) 3.022 6.776 ( 1.284 0.000 -3.410) 3.644 6.948 ( 1.021 0.000 -0.666) 1.219 6.955 ( -3.629 0.000 -0.615) 3.680 ======================= Grid point 226 (107/170) ======================= q-point: ( 0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 0.928 0.000 18.424) 18.447 1.740 ( 18.441 0.000 14.399) 23.396 1.828 ( 9.550 0.000 -11.199) 14.718 2.129 ( 8.359 0.000 -9.024) 12.301 2.794 ( -8.644 0.000 7.695) 11.573 2.808 ( -5.215 0.000 14.870) 15.758 2.968 ( -7.791 0.000 18.638) 20.200 3.166 ( 0.693 0.000 4.879) 4.928 3.315 ( 0.287 0.000 -6.197) 6.203 3.349 ( 2.244 0.000 -2.164) 3.117 3.473 ( -1.870 0.000 -6.088) 6.368 3.608 ( 4.565 0.000 3.207) 5.579 3.751 ( -1.425 0.000 -7.396) 7.532 4.020 ( 6.345 0.000 -8.323) 10.466 4.114 ( -1.571 0.000 1.106) 1.922 4.192 ( -4.939 0.000 -6.475) 8.143 4.613 ( -6.320 0.000 -2.124) 6.668 4.941 ( 0.897 0.000 5.077) 5.156 4.968 ( -4.883 0.000 -5.220) 7.148 4.986 ( 8.882 0.000 0.515) 8.897 5.200 ( -3.318 0.000 -1.906) 3.826 5.230 ( -2.904 0.000 1.540) 3.287 5.343 ( 0.288 0.000 -3.483) 3.495 5.439 ( 3.374 0.000 -0.849) 3.479 5.557 ( 0.154 0.000 1.080) 1.091 5.632 ( -4.210 0.000 1.628) 4.514 5.700 ( 4.332 0.000 -0.499) 4.361 5.774 ( 2.069 0.000 0.198) 2.079 5.827 ( -1.400 0.000 3.068) 3.372 5.925 ( 1.600 0.000 -0.632) 1.720 6.024 ( -3.681 0.000 -2.726) 4.580 6.148 ( 4.064 0.000 0.901) 4.162 6.652 ( 0.188 0.000 2.965) 2.971 6.768 ( 1.425 0.000 -3.978) 4.225 6.889 ( -3.211 0.000 1.003) 3.364 6.971 ( 1.159 0.000 0.793) 1.404 ======================= Grid point 227 (108/170) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 6.170 0.000 15.643) 16.816 1.998 ( 17.212 0.000 -11.434) 20.664 2.162 ( 11.013 0.000 4.627) 11.946 2.296 ( 15.385 0.000 3.651) 15.812 2.636 ( -13.053 0.000 0.952) 13.087 2.665 ( -11.735 0.000 7.106) 13.719 3.139 ( 3.722 0.000 8.774) 9.531 3.216 ( 1.909 0.000 -0.780) 2.062 3.278 ( -0.423 0.000 -0.084) 0.431 3.326 ( 0.193 0.000 -0.595) 0.626 3.382 ( -3.295 0.000 2.005) 3.857 3.705 ( 2.419 0.000 -5.742) 6.231 3.757 ( 3.333 0.000 6.123) 6.972 3.999 ( -4.841 0.000 -0.600) 4.878 4.067 ( -4.017 0.000 0.438) 4.040 4.097 ( 3.909 0.000 -8.913) 9.733 4.432 ( -6.225 0.000 -9.987) 11.768 4.717 ( -11.377 0.000 -8.359) 14.118 5.015 ( -1.086 0.000 3.860) 4.010 5.100 ( -2.644 0.000 -0.474) 2.686 5.134 ( 1.307 0.000 -3.790) 4.008 5.252 ( 4.032 0.000 6.640) 7.768 5.290 ( -1.503 0.000 -5.093) 5.310 5.472 ( 0.785 0.000 -1.888) 2.045 5.580 ( -1.967 0.000 2.240) 2.981 5.593 ( 2.006 0.000 -0.199) 2.016 5.761 ( 0.897 0.000 -2.004) 2.196 5.790 ( 2.780 0.000 -0.817) 2.897 5.818 ( -2.083 0.000 2.453) 3.218 5.928 ( -2.734 0.000 -3.139) 4.162 5.989 ( 3.962 0.000 0.874) 4.057 6.197 ( 0.543 0.000 1.115) 1.240 6.674 ( -0.687 0.000 2.204) 2.309 6.762 ( 1.509 0.000 -3.705) 4.001 6.865 ( -0.682 0.000 2.446) 2.539 7.000 ( 0.825 0.000 1.264) 1.510 ======================= Grid point 228 (109/170) ======================= q-point: ( 0.38 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 7.366 0.000 11.931) 14.021 2.205 ( 13.742 0.000 -10.543) 17.320 2.217 ( -12.087 0.000 5.837) 13.422 2.470 ( 4.327 0.000 -4.681) 6.374 2.483 ( -13.773 0.000 6.716) 15.323 2.639 ( 9.899 0.000 5.418) 11.285 3.134 ( -3.776 0.000 -3.342) 5.042 3.235 ( 2.471 0.000 -2.204) 3.311 3.272 ( 0.008 0.000 2.722) 2.722 3.382 ( 2.483 0.000 4.953) 5.540 3.520 ( 7.426 0.000 11.621) 13.790 3.728 ( 4.332 0.000 -4.242) 6.063 3.753 ( -4.051 0.000 0.223) 4.057 3.968 ( -5.590 0.000 4.707) 7.308 3.976 ( -5.372 0.000 -0.205) 5.376 4.086 ( 4.968 0.000 -8.636) 9.963 4.253 ( -0.946 0.000 -10.868) 10.910 4.412 ( -11.872 0.000 -8.426) 14.558 4.903 ( -5.354 0.000 -4.183) 6.795 5.070 ( -1.849 0.000 -6.328) 6.592 5.158 ( 2.191 0.000 3.704) 4.304 5.214 ( -1.676 0.000 -3.947) 4.288 5.382 ( 3.503 0.000 3.416) 4.893 5.433 ( -2.009 0.000 -2.712) 3.375 5.570 ( -1.234 0.000 3.396) 3.614 5.648 ( 3.276 0.000 -0.405) 3.301 5.744 ( 0.190 0.000 -1.901) 1.911 5.798 ( -2.379 0.000 2.753) 3.638 5.833 ( 0.147 0.000 -2.587) 2.591 5.859 ( 0.057 0.000 -1.892) 1.893 6.082 ( 3.965 0.000 1.833) 4.368 6.198 ( -1.499 0.000 1.513) 2.130 6.666 ( -1.789 0.000 2.017) 2.696 6.758 ( 1.362 0.000 -3.199) 3.477 6.903 ( 1.782 0.000 3.000) 3.490 7.020 ( 0.255 0.000 0.835) 0.874 ======================= Grid point 229 (110/170) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( -18.760 0.000 6.117) 19.732 2.211 ( -9.573 0.000 8.061) 12.515 2.305 ( -1.636 0.000 0.690) 1.776 2.373 ( 9.713 0.000 0.518) 9.727 2.553 ( 2.071 0.000 -0.214) 2.082 2.753 ( 3.673 0.000 -6.696) 7.637 3.038 ( -7.404 0.000 8.203) 11.050 3.243 ( -3.019 0.000 2.578) 3.969 3.323 ( -2.326 0.000 11.280) 11.517 3.476 ( 3.230 0.000 2.905) 4.344 3.635 ( -12.513 0.000 -2.310) 12.724 3.741 ( -3.942 0.000 0.499) 3.973 3.751 ( 11.376 0.000 -3.280) 11.840 3.872 ( 1.661 0.000 1.478) 2.223 3.919 ( 3.549 0.000 -1.798) 3.978 4.130 ( 6.754 0.000 -12.709) 14.393 4.180 ( -4.248 0.000 -5.715) 7.121 4.231 ( 4.176 0.000 -1.615) 4.477 4.805 ( -1.560 0.000 -1.923) 2.476 4.975 ( -1.129 0.000 -7.382) 7.468 5.170 ( -0.073 0.000 -1.693) 1.695 5.186 ( -0.064 0.000 -2.360) 2.361 5.396 ( -0.175 0.000 0.664) 0.687 5.441 ( 1.562 0.000 -0.261) 1.584 5.588 ( -1.024 0.000 4.852) 4.959 5.697 ( 1.685 0.000 0.354) 1.722 5.727 ( -0.788 0.000 -1.406) 1.612 5.765 ( -2.682 0.000 -2.723) 3.822 5.777 ( -2.665 0.000 3.187) 4.155 5.879 ( 1.634 0.000 -1.507) 2.223 6.160 ( 2.442 0.000 1.641) 2.942 6.168 ( -3.189 0.000 1.527) 3.536 6.651 ( -1.797 0.000 2.318) 2.933 6.757 ( 1.251 0.000 -2.660) 2.940 6.972 ( 2.695 0.000 2.357) 3.580 7.022 ( -0.332 0.000 -0.334) 0.471 ======================= Grid point 230 (111/170) ======================= q-point: (-0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -18.781 0.000 10.196) 21.370 1.980 ( -20.033 0.000 12.907) 23.831 2.377 ( 7.187 0.000 -2.241) 7.529 2.485 ( -5.994 0.000 -3.597) 6.990 2.552 ( 5.363 0.000 4.799) 7.196 2.663 ( -15.118 0.000 10.159) 18.214 3.050 ( 6.636 0.000 -3.491) 7.499 3.160 ( -8.706 0.000 1.466) 8.829 3.304 ( -16.471 0.000 0.060) 16.471 3.359 ( -5.876 0.000 14.404) 15.556 3.542 ( 2.654 0.000 -0.750) 2.758 3.652 ( -3.087 0.000 -0.198) 3.093 3.893 ( 8.041 0.000 -5.647) 9.826 3.996 ( 4.541 0.000 -1.970) 4.950 4.005 ( 6.672 0.000 1.970) 6.957 4.140 ( 4.752 0.000 -8.429) 9.676 4.179 ( 6.707 0.000 -3.825) 7.720 4.337 ( 10.069 0.000 -5.281) 11.370 4.812 ( 1.666 0.000 2.515) 3.017 4.925 ( 2.459 0.000 -4.912) 5.494 5.151 ( -0.334 0.000 -2.496) 2.518 5.187 ( 2.105 0.000 0.771) 2.241 5.420 ( 1.199 0.000 0.983) 1.551 5.447 ( 0.248 0.000 -1.822) 1.839 5.607 ( -1.876 0.000 5.117) 5.450 5.686 ( -1.821 0.000 -1.845) 2.592 5.692 ( -3.129 0.000 -1.539) 3.487 5.719 ( -0.075 0.000 1.724) 1.726 5.752 ( -2.914 0.000 3.102) 4.256 5.890 ( 1.153 0.000 -1.729) 2.078 6.101 ( -5.209 0.000 1.344) 5.379 6.201 ( 0.640 0.000 1.221) 1.378 6.640 ( -1.575 0.000 2.499) 2.954 6.759 ( 1.268 0.000 -2.182) 2.524 7.003 ( -0.574 0.000 -1.734) 1.827 7.035 ( 2.296 0.000 0.614) 2.377 ======================= Grid point 231 (112/170) ======================= q-point: (-0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -19.381 0.000 14.708) 24.330 1.723 ( -19.822 0.000 15.471) 25.145 2.320 ( -5.400 0.000 -7.434) 9.189 2.466 ( -18.186 0.000 23.449) 29.675 2.474 ( -5.163 0.000 3.319) 6.138 2.623 ( 4.272 0.000 -2.042) 4.735 2.945 ( -7.631 0.000 3.870) 8.556 3.153 ( -5.278 0.000 4.395) 6.868 3.156 ( 7.394 0.000 -6.333) 9.735 3.368 ( -5.241 0.000 11.735) 12.852 3.573 ( 2.672 0.000 -2.993) 4.012 3.618 ( 0.087 0.000 -2.804) 2.805 3.962 ( 1.572 0.000 2.992) 3.379 4.077 ( 5.911 0.000 -6.181) 8.553 4.078 ( 0.116 0.000 -2.168) 2.171 4.181 ( 7.733 0.000 -7.001) 10.431 4.277 ( 8.847 0.000 -6.064) 10.726 4.504 ( 10.149 0.000 -2.658) 10.492 4.892 ( 2.457 0.000 5.261) 5.807 5.004 ( 8.142 0.000 -0.465) 8.155 5.146 ( 0.555 0.000 1.023) 1.164 5.243 ( 2.281 0.000 0.381) 2.313 5.423 ( -1.548 0.000 -0.700) 1.699 5.436 ( 0.314 0.000 -1.927) 1.953 5.613 ( -1.344 0.000 4.375) 4.577 5.623 ( -2.189 0.000 -1.175) 2.485 5.644 ( -0.901 0.000 -0.965) 1.321 5.715 ( -3.592 0.000 3.294) 4.874 5.743 ( 0.115 0.000 3.847) 3.849 5.896 ( 1.165 0.000 -1.656) 2.024 5.999 ( -6.587 0.000 1.332) 6.721 6.207 ( -1.047 0.000 0.862) 1.357 6.634 ( -1.486 0.000 2.523) 2.928 6.766 ( 1.375 0.000 -1.882) 2.330 6.974 ( -0.338 0.000 -2.691) 2.712 7.059 ( 0.406 0.000 -1.462) 1.518 ======================= Grid point 232 (113/170) ======================= q-point: (-0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -12.200 0.000 17.488) 21.323 1.532 ( -15.510 0.000 18.347) 24.024 2.174 ( -1.849 0.000 -9.008) 9.196 2.177 ( -16.251 0.000 -6.637) 17.554 2.447 ( -9.403 0.000 30.418) 31.839 2.782 ( 5.262 0.000 6.003) 7.983 2.980 ( 3.210 0.000 8.063) 8.678 3.122 ( -2.480 0.000 5.132) 5.700 3.183 ( -3.422 0.000 3.301) 4.755 3.369 ( -0.206 0.000 -0.092) 0.226 3.588 ( 0.599 0.000 -5.624) 5.655 3.594 ( 2.756 0.000 -4.250) 5.065 3.996 ( -3.204 0.000 2.547) 4.093 4.023 ( 0.628 0.000 -8.661) 8.684 4.078 ( 3.337 0.000 -7.238) 7.970 4.270 ( 6.831 0.000 -6.118) 9.170 4.452 ( 12.738 0.000 -1.083) 12.784 4.636 ( 2.842 0.000 3.723) 4.684 4.962 ( -0.379 0.000 3.800) 3.818 5.173 ( 7.843 0.000 0.351) 7.850 5.186 ( 1.715 0.000 2.610) 3.123 5.244 ( -0.062 0.000 -5.184) 5.184 5.378 ( -3.355 0.000 1.411) 3.640 5.396 ( -0.284 0.000 -4.730) 4.738 5.605 ( 0.880 0.000 -0.887) 1.250 5.620 ( -3.559 0.000 3.483) 4.980 5.649 ( 1.681 0.000 0.835) 1.877 5.699 ( 0.021 0.000 2.907) 2.907 5.816 ( 2.468 0.000 6.587) 7.034 5.898 ( -4.018 0.000 1.959) 4.470 5.905 ( 1.262 0.000 -1.453) 1.925 6.177 ( -2.630 0.000 0.261) 2.643 6.629 ( -1.418 0.000 2.581) 2.945 6.776 ( 1.414 0.000 -2.209) 2.623 6.949 ( 0.297 0.000 -2.403) 2.421 7.025 ( -2.175 0.000 -1.968) 2.933 ======================= Grid point 233 (114/170) ======================= q-point: ( 0.00 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 8.294 8.463 16.036) 19.939 1.633 ( -5.847 13.394 16.797) 22.265 1.934 ( -5.840 5.602 -9.509) 12.487 2.175 ( 2.894 7.263 -8.530) 11.571 2.678 ( -2.122 6.394 26.359) 27.207 2.835 ( -5.369 -0.497 6.920) 8.773 3.070 ( 3.063 -3.401 5.355) 7.044 3.103 ( -3.049 -2.391 8.246) 9.111 3.212 ( -2.716 2.700 8.949) 9.733 3.374 ( 1.218 1.839 -5.257) 5.701 3.422 ( 1.260 -8.263 -5.413) 9.958 3.658 ( -3.054 2.791 -4.783) 6.324 3.826 ( -0.837 -5.171 -8.410) 9.908 4.002 ( 3.460 1.193 -6.581) 7.530 4.070 ( 2.904 -3.900 1.017) 4.968 4.269 ( -0.619 -3.011 -10.291) 10.740 4.592 ( 6.576 -5.408 7.620) 11.426 4.739 ( 2.161 0.969 4.639) 5.209 4.932 ( -0.081 -0.970 -0.700) 1.199 5.144 ( -4.125 -0.319 -3.587) 5.476 5.236 ( 0.486 0.292 -2.545) 2.607 5.270 ( 1.289 0.624 0.518) 1.522 5.354 ( 0.119 0.728 -0.259) 0.782 5.396 ( 1.989 0.570 -2.231) 3.042 5.606 ( -3.021 3.138 2.490) 5.017 5.658 ( -0.194 1.372 1.120) 1.782 5.703 ( 2.655 0.612 0.685) 2.809 5.722 ( 0.555 2.021 -0.437) 2.140 5.850 ( -1.471 2.731 3.227) 4.476 5.909 ( 1.690 0.041 0.195) 1.701 6.035 ( 5.421 1.890 2.285) 6.179 6.120 ( -3.555 0.762 -0.844) 3.732 6.630 ( -0.945 0.012 2.939) 3.087 6.780 ( 1.301 0.295 -3.470) 3.717 6.916 ( -1.655 -2.627 0.131) 3.108 6.954 ( -0.519 -0.724 -1.432) 1.687 ======================= Grid point 234 (115/170) ======================= q-point: ( 0.12 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 0.886 12.771 15.580) 20.165 1.806 ( 17.464 6.872 13.113) 22.895 1.859 ( 7.872 3.878 -10.815) 13.928 2.205 ( 7.635 7.377 -7.451) 12.970 2.741 ( -9.660 -2.271 5.091) 11.153 2.863 ( -2.054 4.168 15.235) 15.928 3.057 ( -7.297 7.153 14.990) 18.141 3.143 ( 1.436 -2.289 4.353) 5.123 3.272 ( 1.202 -5.013 -3.703) 6.347 3.351 ( 0.077 1.643 -1.890) 2.506 3.436 ( 1.438 -6.151 2.203) 6.689 3.511 ( -4.711 -5.431 -5.584) 9.103 3.785 ( 2.041 0.436 -4.880) 5.307 4.032 ( 4.874 1.469 -5.793) 7.712 4.109 ( 0.582 -2.105 -2.139) 3.057 4.144 ( -3.255 -3.366 -4.897) 6.775 4.645 ( -4.895 3.078 -2.919) 6.477 4.814 ( 3.866 -7.674 3.338) 9.218 4.963 ( -5.908 -0.733 -4.738) 7.608 5.040 ( 4.892 1.266 3.527) 6.162 5.200 ( -2.665 0.192 -1.982) 3.327 5.260 ( -2.063 2.333 0.986) 3.267 5.343 ( 0.218 -0.130 -3.425) 3.434 5.440 ( 2.967 -0.220 -1.148) 3.189 5.584 ( -1.159 2.453 1.711) 3.208 5.624 ( -3.333 -0.062 1.460) 3.639 5.749 ( 3.590 3.723 -1.238) 5.318 5.775 ( 2.666 0.392 0.067) 2.696 5.855 ( -1.182 2.822 2.238) 3.791 5.930 ( 1.524 0.814 -0.172) 1.737 6.036 ( -3.489 1.339 -2.343) 4.411 6.144 ( 3.505 -0.191 1.417) 3.785 6.647 ( -0.146 -0.355 3.078) 3.102 6.772 ( 1.486 0.312 -3.971) 4.251 6.872 ( -2.789 -1.671 1.263) 3.488 6.960 ( 1.039 -1.167 0.173) 1.572 ======================= Grid point 235 (116/170) ======================= q-point: ( 0.25 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 5.314 9.693 13.325) 17.313 1.987 ( 15.466 0.250 -11.542) 19.300 2.212 ( 8.422 4.467 7.601) 12.193 2.349 ( 12.705 5.067 2.996) 14.002 2.584 ( -7.482 -0.908 -1.208) 7.633 2.765 ( -13.056 6.023 4.165) 14.969 3.166 ( 4.292 1.117 2.850) 5.272 3.196 ( 0.452 -1.414 -3.406) 3.716 3.247 ( 1.383 -2.240 2.365) 3.539 3.324 ( -4.474 -2.981 -2.585) 5.965 3.385 ( 0.241 3.034 10.339) 10.778 3.544 ( 1.407 -11.158 4.431) 12.088 3.789 ( 1.448 -0.380 -3.519) 3.825 3.994 ( -4.909 -2.217 -0.167) 5.389 4.092 ( 6.189 1.396 -9.031) 11.037 4.130 ( -1.234 4.213 2.509) 5.056 4.465 ( -5.963 3.536 -10.739) 12.782 4.717 ( -11.090 -0.023 -7.854) 13.590 4.917 ( 1.335 -7.328 4.323) 8.612 5.071 ( -4.393 -0.759 -4.788) 6.542 5.222 ( 2.021 3.994 -0.159) 4.479 5.250 ( 1.971 -0.156 6.327) 6.628 5.295 ( -0.707 0.662 -4.169) 4.280 5.466 ( 0.957 -0.947 -2.051) 2.454 5.572 ( -2.050 -0.469 1.807) 2.773 5.605 ( 0.786 1.499 0.262) 1.713 5.770 ( 0.116 0.578 -2.397) 2.468 5.825 ( 3.349 2.824 -0.903) 4.473 5.841 ( -1.835 2.440 1.676) 3.483 5.945 ( -2.605 1.871 -2.245) 3.915 5.997 ( 3.731 1.016 0.692) 3.929 6.192 ( 0.507 -0.287 1.434) 1.548 6.667 ( -0.709 -0.566 2.456) 2.619 6.766 ( 1.425 0.289 -3.720) 3.994 6.853 ( -0.669 -1.168 2.471) 2.814 6.984 ( 0.844 -1.677 0.833) 2.054 ======================= Grid point 236 (117/170) ======================= q-point: ( 0.38 0.12 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 3.932 5.068 9.423) 11.399 2.180 ( 10.503 -1.492 -8.371) 13.513 2.217 ( -6.782 1.170 6.947) 9.778 2.486 ( -11.273 1.851 2.287) 11.651 2.522 ( 2.892 3.070 -7.838) 8.901 2.661 ( 6.302 2.175 5.975) 8.953 3.128 ( -4.221 -0.988 -2.068) 4.803 3.217 ( 1.935 -1.727 -0.425) 2.628 3.270 ( 3.224 0.308 1.720) 3.667 3.362 ( 2.580 -1.922 4.840) 5.812 3.549 ( 6.080 -3.320 1.192) 7.030 3.598 ( 0.224 -3.174 10.265) 10.747 3.781 ( 2.246 -0.227 -3.153) 3.878 3.918 ( -4.799 -0.755 2.890) 5.653 4.064 ( -5.851 2.466 -1.544) 6.534 4.157 ( 4.167 7.736 -2.784) 9.217 4.280 ( -1.537 2.913 -11.223) 11.697 4.423 ( -10.823 1.183 -8.456) 13.785 4.888 ( -5.098 -2.183 -2.351) 6.023 4.982 ( 0.105 -5.114 -4.676) 6.930 5.199 ( -0.617 0.586 -4.625) 4.702 5.234 ( -1.496 2.266 0.368) 2.740 5.388 ( 3.289 0.637 3.412) 4.782 5.440 ( -0.908 0.489 -1.927) 2.186 5.559 ( -1.199 -1.062 2.639) 3.087 5.636 ( 2.252 -0.811 -0.414) 2.429 5.752 ( 0.319 0.963 -1.838) 2.099 5.819 ( -2.209 2.022 2.541) 3.927 5.854 ( -1.095 1.563 -2.783) 3.375 5.889 ( 1.072 2.895 -1.776) 3.561 6.088 ( 3.861 0.793 1.875) 4.365 6.196 ( -1.399 -0.066 1.636) 2.153 6.663 ( -1.657 -0.192 2.236) 2.790 6.761 ( 1.310 0.153 -3.210) 3.471 6.888 ( 1.479 -1.475 2.971) 3.632 7.002 ( 0.386 -1.847 0.545) 1.964 ======================= Grid point 237 (118/170) ======================= q-point: (-0.50 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -17.381 1.517 7.198) 18.873 2.192 ( -16.713 -1.570 7.529) 18.397 2.294 ( 5.272 -0.678 -7.180) 8.934 2.394 ( 7.343 2.933 6.649) 10.331 2.577 ( 3.728 1.804 -4.173) 5.879 2.752 ( 4.928 -0.103 -6.324) 8.019 3.038 ( -8.246 -0.131 8.423) 11.788 3.269 ( 0.150 2.059 3.802) 4.326 3.347 ( -1.172 2.155 8.649) 8.990 3.436 ( 0.743 -4.408 2.641) 5.192 3.555 ( -3.538 -5.604 -1.323) 6.758 3.693 ( 3.915 -4.766 -5.029) 7.958 3.808 ( -5.761 3.578 1.866) 7.034 3.906 ( 4.129 -0.093 1.605) 4.431 3.930 ( -1.369 5.960 1.637) 6.330 4.134 ( -4.027 -0.329 -3.722) 5.493 4.208 ( 5.785 4.933 -11.717) 13.967 4.312 ( 4.982 5.697 -3.123) 8.187 4.792 ( -1.986 -1.411 -1.816) 3.039 4.930 ( 0.086 -3.816 -6.539) 7.572 5.155 ( -0.846 -1.415 -1.663) 2.342 5.199 ( -0.664 0.704 -3.648) 3.775 5.414 ( 0.235 1.469 0.670) 1.631 5.455 ( 1.444 1.537 -0.201) 2.118 5.571 ( -1.045 -1.718 4.190) 4.647 5.671 ( 1.390 -2.120 -0.511) 2.586 5.742 ( -0.591 1.766 0.004) 1.863 5.783 ( -2.931 1.729 -1.622) 3.769 5.804 ( -1.761 1.987 1.855) 3.239 5.909 ( 1.866 2.690 -1.977) 3.825 6.158 ( -0.036 0.222 2.084) 2.096 6.175 ( -0.620 0.620 1.149) 1.446 6.651 ( -1.777 0.081 2.429) 3.011 6.759 ( 1.313 0.214 -2.693) 3.004 6.950 ( 2.172 -2.246 2.421) 3.953 7.006 ( -0.087 -1.703 -0.498) 1.777 ======================= Grid point 238 (119/170) ======================= q-point: (-0.38 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -18.197 3.468 9.090) 20.634 1.924 ( -19.447 -3.429 14.007) 24.211 2.371 ( 7.007 -0.774 -2.663) 7.536 2.501 ( -4.219 1.166 -2.499) 5.041 2.576 ( 2.995 3.174 3.879) 5.839 2.767 ( -5.127 7.749 2.477) 9.616 2.980 ( -0.492 -5.061 1.754) 5.379 3.212 ( -10.073 3.419 -0.792) 10.667 3.325 ( -8.974 2.393 4.632) 10.379 3.397 ( -5.398 3.295 10.284) 12.073 3.478 ( -1.085 -4.391 -0.786) 4.591 3.691 ( -2.222 1.849 0.540) 2.941 3.776 ( 8.825 -10.298 -6.823) 15.181 3.971 ( 1.000 -1.709 0.830) 2.147 3.984 ( 3.756 0.443 -0.556) 3.823 4.146 ( 2.470 -0.475 1.083) 2.738 4.242 ( 8.576 5.575 -8.228) 13.128 4.426 ( 9.851 6.878 -6.134) 13.489 4.789 ( 1.272 -2.288 1.976) 3.280 4.902 ( 3.096 -2.170 -4.622) 5.971 5.119 ( -1.537 -2.577 -0.721) 3.086 5.196 ( 2.684 0.425 -0.549) 2.773 5.433 ( 0.629 1.175 0.597) 1.460 5.466 ( 0.727 1.616 -1.488) 2.314 5.582 ( -1.533 -1.898 3.672) 4.408 5.664 ( -1.243 -1.780 -1.213) 2.487 5.717 ( -2.599 2.380 -0.663) 3.586 5.743 ( -0.390 2.570 2.113) 3.350 5.784 ( -2.182 2.007 1.770) 3.452 5.922 ( 1.423 2.909 -2.086) 3.852 6.106 ( -4.917 0.728 1.439) 5.174 6.206 ( 0.630 0.532 1.069) 1.350 6.641 ( -1.616 0.107 2.557) 3.027 6.763 ( 1.355 0.338 -2.263) 2.659 6.985 ( -0.301 -2.092 -1.167) 2.415 7.009 ( 1.690 -2.398 0.249) 2.944 ======================= Grid point 239 (120/170) ======================= q-point: (-0.25 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -19.158 3.080 13.196) 23.466 1.739 ( -15.254 2.688 18.221) 23.914 2.348 ( -5.780 2.727 -4.746) 7.960 2.510 ( -0.128 3.113 2.630) 4.077 2.556 ( -6.355 3.467 4.644) 8.601 2.660 ( -8.678 8.244 10.397) 15.854 2.959 ( -7.922 1.384 3.315) 8.699 3.044 ( 2.410 -6.481 -2.370) 7.310 3.256 ( -1.591 6.282 0.780) 6.527 3.400 ( -4.819 2.748 10.604) 11.968 3.460 ( 0.921 -7.407 -3.380) 8.194 3.693 ( 1.531 2.866 -1.524) 3.589 3.887 ( 7.829 -9.475 -4.684) 13.153 3.976 ( -0.604 -3.401 0.887) 3.566 4.086 ( 4.870 -4.272 -4.168) 7.703 4.137 ( 1.019 1.475 1.223) 2.170 4.363 ( 8.230 5.259 -7.410) 12.260 4.543 ( 7.523 2.020 -3.977) 8.746 4.858 ( 2.651 -2.867 4.009) 5.596 4.989 ( 8.078 -1.403 -0.163) 8.200 5.110 ( 0.323 -2.352 1.802) 2.980 5.262 ( 2.923 0.876 1.291) 3.314 5.424 ( -2.076 0.446 -0.183) 2.132 5.461 ( 0.344 1.726 -2.725) 3.244 5.591 ( 0.105 -0.998 2.666) 2.849 5.625 ( -0.897 -0.632 -1.048) 1.518 5.671 ( -1.911 2.933 0.387) 3.522 5.749 ( -2.855 2.547 2.490) 4.565 5.772 ( 0.380 2.823 3.302) 4.361 5.927 ( 0.843 2.612 -1.689) 3.223 6.011 ( -5.855 1.791 1.081) 6.218 6.211 ( -1.027 0.436 0.756) 1.347 6.634 ( -1.503 0.073 2.559) 2.969 6.770 ( 1.442 0.390 -1.996) 2.494 6.960 ( -0.343 -1.566 -2.502) 2.972 7.027 ( 0.231 -3.094 -1.138) 3.304 ======================= Grid point 240 (121/170) ======================= q-point: (-0.12 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -9.664 6.038 16.627) 20.157 1.648 ( -11.603 10.089 18.069) 23.725 2.188 ( -8.865 2.959 -5.719) 10.956 2.271 ( -8.238 8.189 -8.191) 14.214 2.547 ( -8.649 9.440 23.451) 26.718 2.776 ( 5.816 -0.705 7.169) 9.258 2.946 ( -0.108 -2.141 7.692) 7.985 3.072 ( -0.239 -4.878 3.422) 5.963 3.239 ( -3.209 5.042 3.825) 7.095 3.394 ( -1.442 2.192 1.319) 2.937 3.446 ( 1.543 -8.284 -5.360) 9.987 3.700 ( 1.192 4.099 -3.171) 5.318 3.937 ( -1.358 -7.240 -7.067) 10.208 3.989 ( 4.623 -5.766 0.282) 7.396 4.027 ( -0.235 0.002 -5.981) 5.985 4.289 ( 6.673 0.286 -0.469) 6.695 4.415 ( 6.815 -1.804 -5.663) 9.042 4.647 ( 2.855 -0.483 4.825) 5.627 4.930 ( 1.414 -2.279 1.601) 3.124 5.147 ( 3.264 -1.743 2.826) 4.656 5.168 ( 6.539 -1.358 0.420) 6.692 5.290 ( -0.388 3.000 -2.377) 3.847 5.364 ( -2.556 -0.592 -0.398) 2.654 5.424 ( -0.807 1.518 -3.691) 4.072 5.624 ( 0.052 1.708 1.516) 2.285 5.637 ( 1.613 -0.525 1.456) 2.236 5.658 ( -0.426 2.716 1.209) 3.004 5.722 ( -0.864 2.197 1.505) 2.800 5.833 ( 1.944 2.098 5.063) 5.815 5.892 ( -4.124 0.811 1.059) 4.334 5.960 ( 1.196 4.137 -0.332) 4.319 6.181 ( -2.546 0.458 0.235) 2.597 6.629 ( -1.422 0.078 2.602) 2.966 6.780 ( 1.444 0.356 -2.313) 2.750 6.934 ( -0.044 -1.661 -2.132) 2.703 6.998 ( -1.619 -2.509 -1.790) 3.481 ======================= Grid point 241 (122/170) ======================= q-point: ( 0.00 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 8.810 16.019 12.565) 22.184 1.917 ( -3.163 15.294 14.536) 21.336 2.091 ( -5.579 10.515 -8.178) 14.442 2.359 ( 1.583 11.414 -6.143) 13.058 2.795 ( 1.790 1.752 11.350) 11.623 2.858 ( -5.675 3.172 5.471) 8.497 2.972 ( 4.607 -6.729 6.856) 10.654 3.040 ( -1.154 -0.755 8.705) 8.814 3.253 ( 1.464 -8.711 -3.679) 9.569 3.291 ( -7.221 3.626 8.430) 11.678 3.425 ( 0.635 3.557 -3.130) 4.781 3.648 ( -6.153 -4.921 -8.630) 11.686 3.718 ( 0.887 -4.454 -0.771) 4.607 3.970 ( 4.575 -5.740 0.877) 7.392 4.006 ( 1.762 -1.523 -1.708) 2.889 4.202 ( -2.445 -2.999 -12.439) 13.027 4.521 ( 6.250 -1.856 9.377) 11.421 4.755 ( 3.077 -0.205 6.659) 7.339 4.900 ( -0.003 -1.538 -2.745) 3.146 5.138 ( -3.331 -0.097 -1.444) 3.632 5.228 ( 2.659 -1.243 -2.640) 3.948 5.290 ( -0.245 1.329 -1.003) 1.683 5.365 ( 0.585 0.321 -0.703) 0.970 5.396 ( 0.796 -0.620 -2.056) 2.290 5.644 ( -1.998 -0.153 2.734) 3.390 5.673 ( -0.721 1.150 2.655) 2.981 5.730 ( 1.414 2.027 -0.383) 2.501 5.778 ( 2.629 2.948 -2.573) 4.714 5.920 ( -0.171 4.376 2.071) 4.844 5.944 ( 0.632 3.637 1.781) 4.099 6.080 ( 2.563 2.776 1.632) 4.116 6.141 ( -3.088 1.406 -0.382) 3.415 6.634 ( -1.094 0.599 2.787) 3.053 6.786 ( 1.211 0.323 -3.463) 3.683 6.854 ( -1.730 -3.735 0.763) 4.186 6.926 ( 0.412 -2.109 -2.155) 3.044 ======================= Grid point 242 (123/170) ======================= q-point: ( 0.12 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 8.076 11.596 9.019) 16.764 1.990 ( 4.225 10.004 -9.087) 14.160 2.035 ( 7.427 15.917 12.950) 21.822 2.382 ( 5.019 10.596 -4.412) 12.527 2.736 ( -7.728 1.672 0.921) 7.960 2.936 ( 0.730 1.191 7.282) 7.415 3.066 ( 0.980 -5.932 -0.565) 6.039 3.112 ( 2.916 -5.770 4.822) 8.066 3.236 ( -5.289 4.229 8.033) 10.506 3.284 ( 0.326 -5.937 4.676) 7.564 3.410 ( -3.284 0.101 -3.248) 4.620 3.429 ( -5.862 0.991 -0.820) 6.001 3.739 ( 1.555 -4.730 -0.293) 4.987 4.003 ( -2.590 -4.923 -3.623) 6.638 4.055 ( 4.327 -3.666 -3.616) 6.726 4.111 ( 4.223 0.165 -3.199) 5.300 4.688 ( 2.799 -2.364 7.828) 8.643 4.736 ( -2.847 3.634 -8.996) 10.112 4.926 ( -2.869 -3.565 1.142) 4.717 5.037 ( -0.027 -0.849 -0.535) 1.004 5.211 ( -1.445 0.907 -1.559) 2.311 5.294 ( -0.246 0.945 -0.108) 0.982 5.340 ( -0.190 0.015 -2.633) 2.640 5.426 ( 2.058 -1.195 -1.280) 2.703 5.609 ( -3.098 0.653 1.690) 3.589 5.659 ( -1.876 2.497 1.572) 3.497 5.776 ( 2.400 0.478 -0.405) 2.481 5.810 ( 3.049 1.336 -2.653) 4.257 5.927 ( -0.958 4.478 0.889) 4.665 5.974 ( 1.918 3.900 1.078) 4.478 6.073 ( -3.142 2.359 -1.338) 4.150 6.150 ( 2.268 0.925 2.083) 3.215 6.645 ( -0.601 0.239 3.062) 3.129 6.776 ( 1.428 0.123 -4.028) 4.276 6.830 ( -1.983 -2.680 1.934) 3.855 6.925 ( 0.854 -2.485 -0.978) 2.804 ======================= Grid point 243 (124/170) ======================= q-point: ( 0.25 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 11.436 6.399 -10.988) 17.102 2.136 ( 4.037 11.672 9.086) 15.333 2.320 ( 0.348 6.799 9.493) 11.682 2.471 ( 7.878 7.463 4.935) 11.921 2.618 ( 0.241 3.781 -9.021) 9.784 2.856 ( -11.509 2.042 -0.663) 11.708 3.081 ( 3.029 -6.239 -3.994) 8.003 3.196 ( 0.134 -3.259 2.920) 4.378 3.233 ( -2.594 -5.063 -1.563) 5.899 3.249 ( 2.160 2.283 -0.141) 3.146 3.315 ( -1.213 -8.902 4.882) 10.225 3.523 ( 2.085 8.271 13.552) 16.013 3.754 ( -0.373 -2.357 0.899) 2.550 3.919 ( -1.215 -4.460 -2.778) 5.393 4.091 ( 2.693 -2.458 -3.315) 4.928 4.209 ( 4.299 3.066 2.697) 5.930 4.560 ( -4.507 5.959 -12.495) 14.558 4.706 ( -8.243 -1.326 -4.931) 9.697 4.813 ( -0.546 -2.538 1.729) 3.119 5.044 ( -3.418 -2.703 -3.000) 5.290 5.223 ( 1.482 -1.338 3.329) 3.882 5.278 ( -0.617 0.951 -1.707) 2.050 5.321 ( 1.283 1.947 -0.450) 2.375 5.438 ( 0.616 -1.559 -1.520) 2.262 5.572 ( -1.832 0.490 0.657) 2.007 5.639 ( -1.132 1.418 0.057) 1.816 5.782 ( 0.247 0.732 -2.028) 2.170 5.853 ( 2.534 -0.051 -1.035) 2.737 5.909 ( -1.083 4.289 -0.007) 4.424 6.000 ( -2.854 3.181 -2.056) 4.743 6.039 ( 3.402 3.595 1.590) 5.198 6.193 ( 0.310 0.404 1.973) 2.038 6.660 ( -0.696 0.064 2.812) 2.898 6.767 ( 1.147 -0.240 -3.512) 3.702 6.824 ( -0.491 -1.727 2.473) 3.056 6.938 ( 0.879 -3.078 -0.116) 3.203 ======================= Grid point 244 (125/170) ======================= q-point: ( 0.38 0.25 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 4.203 2.283 -3.856) 6.144 2.210 ( -2.765 3.695 0.500) 4.642 2.326 ( 2.767 8.900 8.894) 12.883 2.526 ( -15.378 1.677 -0.801) 15.490 2.574 ( 5.893 1.751 -15.051) 16.258 2.716 ( 2.707 3.527 6.138) 7.580 3.087 ( -3.197 -2.929 1.536) 4.600 3.174 ( 3.607 -2.688 -0.206) 4.503 3.296 ( 2.571 -1.314 2.227) 3.647 3.314 ( 2.927 -1.455 2.499) 4.114 3.349 ( 2.380 -8.959 1.763) 9.436 3.643 ( 1.185 -0.632 1.413) 1.949 3.801 ( 3.378 5.163 6.930) 9.279 3.905 ( -1.373 -1.299 2.889) 3.452 4.095 ( -0.488 1.035 0.058) 1.146 4.300 ( 1.671 5.812 3.730) 7.106 4.365 ( -3.913 5.620 -11.927) 13.753 4.454 ( -8.816 2.007 -8.900) 12.687 4.813 ( -2.108 -3.951 0.044) 4.478 4.929 ( -1.975 -1.513 -7.060) 7.485 5.190 ( -2.048 -1.188 -3.935) 4.592 5.255 ( -1.403 -0.423 -1.689) 2.236 5.406 ( 3.058 1.202 3.325) 4.674 5.438 ( 1.092 -0.561 0.458) 1.310 5.545 ( -1.524 -0.135 0.164) 1.538 5.622 ( 0.290 -0.832 -1.333) 1.598 5.778 ( 0.748 1.350 -1.016) 1.847 5.864 ( -1.121 1.637 0.734) 2.115 5.883 ( -1.983 2.256 -1.161) 3.220 5.948 ( 0.544 3.000 -2.441) 3.905 6.120 ( 3.194 2.502 1.853) 4.461 6.201 ( -1.175 0.579 1.935) 2.337 6.665 ( -1.329 0.485 2.563) 2.928 6.762 ( 1.302 -0.107 -2.903) 3.183 6.852 ( 0.764 -2.177 2.738) 3.580 6.952 ( 0.682 -3.290 -0.094) 3.362 ======================= Grid point 245 (126/170) ======================= q-point: (-0.50 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -14.327 4.339 7.578) 16.778 2.185 ( -18.675 1.311 2.894) 18.944 2.281 ( 6.567 -0.694 -9.424) 11.507 2.489 ( 4.460 6.625 7.951) 11.270 2.594 ( 7.463 -0.781 -9.962) 12.472 2.769 ( 1.096 2.638 -1.629) 3.289 3.030 ( -6.104 -0.455 6.411) 8.864 3.271 ( 4.270 -4.255 2.069) 6.373 3.311 ( -1.340 -6.320 0.256) 6.466 3.401 ( 1.164 2.583 7.055) 7.603 3.440 ( 6.312 -6.054 -2.828) 9.192 3.614 ( -4.258 -2.916 -0.965) 5.250 3.862 ( -6.669 2.343 4.599) 8.433 3.929 ( 2.626 2.262 3.143) 4.678 4.072 ( -3.278 7.398 -1.681) 8.264 4.181 ( -6.985 5.821 3.171) 9.630 4.292 ( 4.212 3.174 -11.482) 12.635 4.410 ( 5.541 3.782 0.474) 6.725 4.753 ( -2.061 -2.254 -1.306) 3.322 4.866 ( 1.691 -2.457 -7.736) 8.291 5.123 ( -2.378 -1.790 -1.610) 3.384 5.199 ( -0.371 -0.779 -4.932) 5.006 5.441 ( 0.583 1.299 1.089) 1.792 5.491 ( 1.380 1.765 -0.282) 2.258 5.531 ( -0.594 -2.182 2.627) 3.466 5.626 ( 1.082 -2.496 -1.372) 3.047 5.783 ( 0.122 1.677 -0.019) 1.681 5.825 ( -2.114 2.410 -1.273) 3.449 5.842 ( -2.292 2.492 2.046) 3.956 5.959 ( 2.140 2.200 -2.462) 3.935 6.176 ( -0.885 1.582 2.120) 2.789 6.193 ( 0.538 1.273 1.080) 1.754 6.658 ( -1.652 0.858 2.507) 3.122 6.765 ( 1.544 0.355 -2.574) 3.022 6.893 ( 0.914 -3.457 2.482) 4.353 6.959 ( 0.459 -3.073 -0.828) 3.216 ======================= Grid point 246 (127/170) ======================= q-point: (-0.38 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -16.201 6.285 6.320) 18.491 1.925 ( -15.038 4.229 13.473) 20.629 2.332 ( 5.876 -3.648 -2.760) 7.447 2.541 ( -4.455 3.626 0.733) 5.791 2.668 ( 4.484 5.129 0.758) 6.854 2.802 ( 6.621 -4.811 -6.659) 10.551 2.963 ( -6.603 4.511 5.357) 9.625 3.223 ( -7.559 -3.799 -0.539) 8.477 3.361 ( 0.749 0.106 0.947) 1.212 3.431 ( -5.826 1.948 5.363) 8.154 3.472 ( -0.943 1.617 1.724) 2.545 3.575 ( 6.917 -9.946 -5.445) 13.282 3.727 ( -9.765 4.740 5.729) 12.273 3.958 ( -0.942 0.665 0.402) 1.221 4.006 ( 0.808 0.722 -0.766) 1.327 4.182 ( -1.586 4.515 5.342) 7.172 4.316 ( 6.531 1.474 -5.312) 8.547 4.526 ( 5.743 2.190 -3.915) 7.288 4.747 ( 2.228 -0.909 0.635) 2.489 4.858 ( 4.379 -1.887 -5.263) 7.102 5.073 ( -1.866 -1.850 0.565) 2.688 5.192 ( 2.901 -0.996 -1.662) 3.489 5.455 ( -0.421 0.762 0.962) 1.298 5.494 ( 0.780 1.285 -1.275) 1.971 5.553 ( 0.164 -1.000 1.920) 2.171 5.623 ( 0.045 -2.591 -2.159) 3.373 5.769 ( -1.703 2.581 0.317) 3.109 5.806 ( 0.382 2.286 0.088) 2.319 5.818 ( -2.037 3.333 2.540) 4.659 5.974 ( 1.392 2.056 -2.147) 3.282 6.139 ( -3.523 2.657 1.277) 4.594 6.222 ( 0.510 1.030 0.865) 1.438 6.649 ( -1.654 0.896 2.489) 3.120 6.772 ( 1.560 0.739 -2.357) 2.922 6.918 ( -0.152 -4.562 0.907) 4.654 6.960 ( 0.845 -2.803 -1.395) 3.243 ======================= Grid point 247 (128/170) ======================= q-point: (-0.25 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -14.304 10.569 10.751) 20.782 1.842 ( -9.434 8.024 18.343) 22.133 2.421 ( -5.491 3.350 -2.294) 6.829 2.471 ( 6.990 -3.720 4.270) 8.996 2.674 ( -5.025 8.408 -2.156) 10.030 2.830 ( -5.791 -4.619 5.659) 9.322 2.922 ( 3.043 6.078 -1.644) 6.994 3.034 ( -9.740 4.078 1.633) 10.685 3.313 ( -1.648 -7.360 -2.497) 7.945 3.402 ( -1.543 7.889 0.239) 8.042 3.452 ( -5.591 2.351 7.835) 9.909 3.670 ( 5.836 -6.761 -2.827) 9.368 3.695 ( 3.740 -6.936 -2.546) 8.282 3.931 ( -1.805 -0.506 0.585) 1.964 4.065 ( 1.964 0.888 2.432) 3.250 4.160 ( -2.183 1.171 4.139) 4.823 4.435 ( 7.197 1.483 -3.552) 8.161 4.518 ( -0.011 -4.600 -4.519) 6.449 4.828 ( 4.489 0.351 0.590) 4.541 4.959 ( 8.056 -1.430 0.279) 8.187 5.078 ( 0.665 -0.946 2.968) 3.185 5.260 ( 3.667 -1.150 1.166) 4.016 5.436 ( -2.274 0.678 0.592) 2.446 5.489 ( -0.109 1.280 -3.259) 3.503 5.578 ( 1.201 -0.461 1.423) 1.919 5.604 ( 0.650 -1.713 -1.533) 2.389 5.742 ( -1.337 3.932 0.570) 4.192 5.792 ( -1.416 1.944 0.556) 2.468 5.841 ( 0.870 4.287 3.170) 5.402 5.969 ( -0.560 1.857 -0.902) 2.139 6.077 ( -3.186 4.528 0.240) 5.541 6.223 ( -1.056 0.797 0.621) 1.462 6.641 ( -1.508 0.781 2.450) 2.981 6.781 ( 1.452 0.770 -2.166) 2.719 6.907 ( -0.716 -4.135 -1.004) 4.315 6.961 ( 0.451 -3.324 -1.730) 3.775 ======================= Grid point 248 (129/170) ======================= q-point: (-0.12 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -4.014 15.646 13.131) 20.817 1.863 ( -6.251 11.990 18.164) 22.644 2.281 ( -6.754 6.448 -3.828) 10.092 2.471 ( -7.728 12.022 -7.281) 16.040 2.659 ( 4.957 -2.901 7.765) 9.658 2.799 ( -2.357 2.789 11.726) 12.281 2.939 ( -3.046 0.624 2.902) 4.253 2.986 ( 0.062 1.119 5.529) 5.641 3.276 ( 0.543 -9.335 -4.472) 10.365 3.351 ( -5.620 5.864 5.273) 9.683 3.436 ( -0.352 2.057 -0.120) 2.090 3.711 ( 1.745 -4.336 -2.536) 5.317 3.752 ( 4.058 -9.758 -7.377) 12.888 3.912 ( -0.601 -1.388 1.902) 2.430 4.024 ( -2.748 -0.541 -1.310) 3.092 4.290 ( 6.004 0.401 6.320) 8.726 4.374 ( -0.746 -3.244 -10.050) 10.587 4.615 ( 4.337 -2.681 7.167) 8.796 4.899 ( 2.736 -0.571 -1.220) 3.050 5.119 ( 5.132 -1.147 2.836) 5.974 5.139 ( 3.882 -1.423 1.864) 4.536 5.326 ( 2.388 -0.396 0.560) 2.485 5.368 ( -3.713 1.721 -3.254) 5.229 5.439 ( -1.182 0.264 -3.676) 3.871 5.617 ( 2.174 -1.155 0.759) 2.576 5.639 ( 1.224 -0.224 3.042) 3.287 5.730 ( -0.774 3.843 0.860) 4.013 5.771 ( -0.224 2.926 -1.130) 3.144 5.894 ( 1.412 3.972 3.049) 5.202 5.937 ( -2.654 3.463 1.740) 4.697 6.046 ( 0.216 4.648 -0.262) 4.661 6.194 ( -2.378 0.846 0.315) 2.543 6.635 ( -1.379 0.708 2.476) 2.922 6.788 ( 1.301 0.509 -2.353) 2.736 6.881 ( -0.990 -3.898 -0.950) 4.133 6.945 ( -0.045 -2.825 -2.365) 3.684 ======================= Grid point 249 (130/170) ======================= q-point: ( 0.00 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 6.729 17.800 9.826) 21.416 2.199 ( -0.995 14.033 13.014) 19.165 2.307 ( -3.178 10.681 -4.411) 11.985 2.555 ( 0.057 4.515 -2.137) 4.995 2.716 ( 4.446 -3.578 4.929) 7.541 2.805 ( 3.898 -9.578 9.011) 13.716 2.929 ( -7.812 2.047 1.277) 8.176 3.015 ( -1.627 -5.446 -6.814) 8.874 3.213 ( 4.090 5.568 2.349) 7.297 3.297 ( -4.610 -2.337 4.630) 6.939 3.462 ( 1.413 -4.188 -5.395) 6.974 3.516 ( 0.328 -5.057 -9.345) 10.631 3.704 ( -3.344 4.109 9.109) 10.538 3.897 ( -0.288 -1.623 2.266) 2.802 3.958 ( -1.094 -1.741 -0.457) 2.106 4.146 ( -3.442 -4.045 -7.038) 8.817 4.514 ( 4.654 0.999 10.765) 11.770 4.683 ( 2.504 -6.549 12.424) 14.265 4.934 ( 1.666 4.867 -7.947) 9.467 5.127 ( -0.634 -2.229 -5.465) 5.935 5.208 ( 2.926 0.328 1.149) 3.160 5.296 ( 0.374 -1.433 -2.345) 2.774 5.369 ( 1.078 0.431 -1.534) 1.924 5.384 ( -1.208 -0.287 -2.254) 2.574 5.639 ( -0.541 0.202 3.427) 3.476 5.677 ( 0.132 -0.769 3.616) 3.699 5.774 ( 0.701 2.393 -2.040) 3.222 5.817 ( 1.274 0.888 -2.879) 3.272 6.004 ( 0.499 3.848 1.731) 4.249 6.016 ( 0.179 3.172 1.982) 3.745 6.134 ( 0.738 2.587 1.412) 3.038 6.166 ( -2.379 0.956 0.324) 2.585 6.657 ( -1.058 1.891 2.249) 3.123 6.779 ( -1.241 -4.004 1.018) 4.314 6.796 ( 0.929 0.932 -3.108) 3.375 6.877 ( 0.635 -2.854 -2.657) 3.951 ======================= Grid point 250 (131/170) ======================= q-point: ( 0.12 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 6.220 12.378 8.092) 16.043 2.224 ( 1.567 13.840 -8.004) 16.065 2.327 ( 4.398 13.700 10.524) 17.827 2.578 ( 3.171 8.089 -2.287) 8.984 2.759 ( -7.123 -1.360 0.857) 7.302 2.868 ( 4.079 -7.249 3.253) 8.931 2.911 ( -1.751 -6.268 -7.400) 9.854 2.965 ( 3.674 -9.396 8.194) 12.997 3.229 ( -4.234 -1.401 3.898) 5.923 3.310 ( -0.388 4.012 -2.820) 4.920 3.383 ( -3.133 0.051 -7.764) 8.372 3.470 ( 3.234 -4.609 -0.305) 5.638 3.737 ( -2.795 8.883 13.514) 16.412 3.921 ( -2.914 -3.405 -2.637) 5.200 3.947 ( 3.566 -5.956 -0.578) 6.966 4.097 ( 3.159 -3.215 0.156) 4.509 4.663 ( 1.813 0.431 7.990) 8.204 4.806 ( -1.447 -3.344 5.916) 6.948 4.858 ( 0.110 2.927 -8.717) 9.196 5.017 ( -2.651 -1.653 -7.637) 8.251 5.231 ( -0.284 1.294 -0.833) 1.565 5.291 ( 0.625 -1.098 -1.514) 1.972 5.349 ( -0.056 0.874 -1.322) 1.585 5.399 ( 1.836 -1.529 -1.118) 2.638 5.629 ( -2.733 1.504 2.027) 3.721 5.682 ( -2.066 -0.144 2.102) 2.951 5.789 ( 2.057 0.888 -1.528) 2.712 5.817 ( 1.542 -0.248 -3.010) 3.391 6.011 ( -0.736 3.907 0.502) 4.007 6.047 ( 1.465 2.726 0.972) 3.244 6.123 ( -2.202 2.799 0.101) 3.563 6.171 ( 1.057 0.828 2.033) 2.436 6.662 ( -0.738 1.605 2.579) 3.126 6.762 ( -0.461 -2.604 -0.872) 2.785 6.793 ( 0.371 0.111 -0.455) 0.597 6.870 ( 0.719 -3.110 -1.841) 3.685 ======================= Grid point 251 (132/170) ======================= q-point: ( 0.25 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 6.701 11.894 -9.580) 16.677 2.351 ( 3.189 10.905 6.423) 13.052 2.460 ( -4.505 7.061 6.934) 10.873 2.616 ( 3.569 6.338 2.274) 7.621 2.669 ( 0.262 -0.673 -6.351) 6.392 2.776 ( -4.349 -8.794 -9.385) 13.577 2.978 ( 3.001 -5.126 3.684) 6.990 3.093 ( 1.671 -6.598 6.039) 9.099 3.170 ( -2.958 -1.414 0.440) 3.308 3.191 ( -2.581 0.619 -2.512) 3.655 3.351 ( 1.650 4.560 -1.246) 5.007 3.550 ( 3.134 -5.972 0.393) 6.756 3.830 ( 0.071 6.023 5.734) 8.316 3.860 ( -0.464 2.420 4.564) 5.186 4.003 ( 2.617 -5.095 2.067) 6.090 4.219 ( 5.570 -2.577 4.912) 7.861 4.664 ( -2.401 3.730 -12.047) 12.837 4.692 ( -7.013 0.811 -2.375) 7.448 4.807 ( -1.197 1.155 -1.368) 2.153 4.960 ( -1.940 -5.509 -0.374) 5.853 5.213 ( -0.713 0.503 -0.874) 1.234 5.272 ( -0.536 -1.363 -3.060) 3.393 5.359 ( 1.825 2.012 0.610) 2.784 5.416 ( 0.907 -0.877 -0.392) 1.321 5.590 ( -2.080 1.408 0.039) 2.512 5.647 ( -2.264 -0.622 -0.472) 2.395 5.796 ( 0.468 0.768 -1.371) 1.640 5.837 ( 2.257 -1.248 -1.409) 2.939 5.991 ( -1.321 3.918 -0.553) 4.172 6.044 ( -1.849 1.356 -1.745) 2.881 6.120 ( 1.428 4.216 1.887) 4.835 6.201 ( 0.082 0.073 2.093) 2.096 6.674 ( -0.550 1.374 2.706) 3.085 6.751 ( 0.153 -1.676 -0.947) 1.931 6.801 ( 0.461 -0.253 0.519) 0.739 6.873 ( 0.923 -3.438 -0.989) 3.694 ======================= Grid point 252 (133/170) ======================= q-point: ( 0.38 0.38 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 1.490 6.721 -5.224) 8.642 2.316 ( -4.845 7.136 -1.273) 8.718 2.507 ( 1.222 8.882 3.741) 9.715 2.519 ( -9.130 -2.712 -5.301) 10.900 2.566 ( -0.339 -2.379 -9.190) 9.499 2.780 ( 3.663 1.568 5.644) 6.909 3.035 ( 0.404 -2.501 1.907) 3.171 3.118 ( -1.967 -2.292 0.647) 3.089 3.154 ( 2.756 -5.647 0.472) 6.302 3.224 ( 3.306 -5.045 0.280) 6.038 3.412 ( 3.300 5.634 3.039) 7.202 3.580 ( 0.078 -4.206 1.001) 4.324 3.858 ( 2.295 -0.938 0.751) 2.590 3.921 ( -0.098 1.243 3.901) 4.096 4.136 ( 5.238 5.434 10.013) 12.539 4.354 ( 2.696 -0.641 6.349) 6.927 4.458 ( -9.151 3.890 -8.025) 12.778 4.504 ( -4.420 2.661 -11.647) 12.738 4.780 ( -1.805 0.481 -1.043) 2.139 4.887 ( -2.201 -3.194 -4.910) 6.257 5.168 ( -2.032 -0.506 -3.297) 3.906 5.226 ( -0.982 -2.217 -4.151) 4.807 5.427 ( 3.028 0.816 2.913) 4.280 5.436 ( 0.830 0.362 1.269) 1.559 5.552 ( -1.482 0.738 -1.372) 2.150 5.600 ( -1.006 -1.385 -2.087) 2.699 5.798 ( 0.413 0.936 -0.338) 1.077 5.856 ( 0.829 -1.551 -1.472) 2.293 5.952 ( -2.410 3.756 -0.048) 4.463 5.995 ( -0.584 1.694 -2.117) 2.773 6.172 ( 1.894 2.585 1.745) 3.649 6.213 ( -0.667 0.425 2.027) 2.176 6.685 ( -0.836 1.608 2.558) 3.134 6.753 ( 1.043 -0.950 -1.002) 1.730 6.817 ( 0.347 -0.956 1.235) 1.600 6.884 ( 0.952 -3.597 -0.689) 3.784 ======================= Grid point 253 (134/170) ======================= q-point: (-0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -11.050 6.607 1.951) 13.022 2.237 ( -10.325 3.226 -0.560) 10.832 2.271 ( -2.252 0.404 -6.571) 6.958 2.522 ( 4.785 -5.855 -5.885) 9.582 2.644 ( 1.539 8.602 7.067) 11.239 2.848 ( -0.133 4.107 1.104) 4.255 3.036 ( -0.783 1.127 1.463) 2.006 3.124 ( 0.759 -6.994 1.593) 7.213 3.210 ( 4.396 -5.647 -2.267) 7.507 3.288 ( 5.959 -8.107 -4.641) 11.081 3.487 ( 0.150 4.243 5.178) 6.696 3.577 ( -2.372 -1.322 1.338) 3.028 3.900 ( -0.902 2.006 6.130) 6.513 3.967 ( 1.441 0.853 2.976) 3.415 4.192 ( -10.535 5.247 -5.347) 12.927 4.295 ( 0.067 1.327 1.815) 2.249 4.347 ( -2.911 5.662 -2.494) 6.837 4.444 ( 1.367 0.302 6.993) 7.132 4.733 ( -0.134 0.526 -2.712) 2.766 4.828 ( 2.301 -2.144 -7.783) 8.395 5.098 ( -2.080 -0.280 -2.625) 3.361 5.169 ( -0.118 -2.318 -5.120) 5.621 5.461 ( 0.478 0.855 0.882) 1.318 5.497 ( 1.170 -1.044 1.810) 2.394 5.519 ( 0.333 1.069 -1.242) 1.672 5.578 ( 0.428 -2.445 -1.986) 3.179 5.801 ( 0.079 0.794 0.100) 0.804 5.843 ( -0.364 -0.353 -1.602) 1.681 5.916 ( -1.784 4.187 1.229) 4.714 5.987 ( 1.111 0.653 -1.670) 2.110 6.209 ( -0.731 1.613 1.722) 2.470 6.219 ( 0.784 1.149 1.116) 1.784 6.686 ( -1.256 2.074 2.266) 3.319 6.770 ( 1.796 -0.206 -1.501) 2.349 6.831 ( -0.401 -2.296 1.761) 2.921 6.894 ( 0.925 -3.496 -1.041) 3.763 ======================= Grid point 254 (135/170) ======================= q-point: (-0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -11.099 8.272 4.482) 14.550 2.078 ( -9.609 11.195 9.084) 17.325 2.232 ( 1.135 -6.642 -0.275) 6.744 2.564 ( 2.608 -9.609 -2.033) 10.162 2.667 ( -4.412 5.361 3.488) 7.770 2.836 ( -0.093 5.269 -0.152) 5.272 3.058 ( 2.797 3.592 -2.259) 5.082 3.121 ( -0.944 -2.651 -0.503) 2.859 3.301 ( 5.548 -6.655 -2.937) 9.149 3.364 ( 6.740 -9.630 -6.102) 13.244 3.484 ( -7.127 3.231 3.060) 8.402 3.524 ( -0.807 1.653 3.143) 3.642 3.897 ( -11.186 10.989 5.933) 16.766 3.979 ( -1.406 1.316 0.127) 1.930 4.010 ( -0.136 -0.138 0.379) 0.426 4.275 ( 1.945 -5.914 -0.097) 6.227 4.293 ( -7.565 6.338 7.038) 12.122 4.503 ( -1.693 -3.565 1.821) 4.346 4.769 ( 5.660 2.359 -1.091) 6.228 4.839 ( 5.482 -0.473 -6.231) 8.313 5.058 ( -0.477 0.498 -0.303) 0.753 5.156 ( 2.677 -2.681 -2.394) 4.481 5.462 ( -0.663 0.512 0.483) 0.967 5.515 ( 1.568 0.338 -0.156) 1.611 5.541 ( 0.750 -0.392 -0.172) 0.864 5.571 ( 0.682 -2.350 -2.521) 3.513 5.803 ( -0.239 1.279 0.519) 1.401 5.829 ( 0.257 0.639 -1.121) 1.316 5.905 ( -0.655 4.550 1.732) 4.913 5.995 ( 0.797 0.130 -1.068) 1.339 6.193 ( -1.847 2.719 0.931) 3.416 6.239 ( 0.096 0.494 0.743) 0.897 6.679 ( -1.474 2.325 2.042) 3.427 6.791 ( 2.108 0.732 -2.408) 3.283 6.830 ( -1.379 -3.905 1.723) 4.486 6.901 ( 0.993 -3.284 -1.655) 3.809 ======================= Grid point 255 (136/170) ======================= q-point: (-0.25 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -7.504 14.871 9.637) 19.244 2.037 ( -5.273 12.273 13.587) 19.053 2.305 ( 2.168 -9.736 7.610) 12.546 2.568 ( -1.796 5.066 -0.927) 5.454 2.608 ( -1.464 -11.105 2.214) 11.418 2.816 ( -2.233 3.814 -2.080) 4.885 3.068 ( -0.084 2.727 -1.942) 3.349 3.113 ( 1.738 6.554 -2.636) 7.275 3.238 ( -7.829 0.283 -1.767) 8.031 3.416 ( 2.590 -6.817 -4.500) 8.569 3.451 ( 2.427 -3.217 -0.331) 4.044 3.555 ( 1.511 -2.597 -0.977) 3.159 3.720 ( -8.283 8.284 3.562) 12.244 3.923 ( -2.031 -1.385 -1.508) 2.884 4.103 ( 1.352 3.570 8.072) 8.929 4.197 ( -6.323 3.298 5.992) 9.314 4.369 ( 2.862 -7.455 7.407) 10.892 4.428 ( -3.507 -5.207 -4.319) 7.620 4.864 ( 5.246 2.945 -2.193) 6.403 4.939 ( 7.608 -0.829 -0.226) 7.656 5.079 ( 1.722 1.372 1.954) 2.944 5.215 ( 3.987 -3.522 -0.149) 5.322 5.453 ( -0.946 1.290 0.345) 1.637 5.510 ( -1.121 0.456 -4.083) 4.258 5.564 ( 2.069 -1.824 0.662) 2.836 5.570 ( 1.168 -0.545 -0.309) 1.325 5.800 ( -0.496 2.175 0.423) 2.271 5.826 ( 0.396 1.293 -1.305) 1.879 5.926 ( 0.843 4.218 2.458) 4.954 5.997 ( -0.034 0.764 0.032) 0.766 6.159 ( -2.148 3.807 0.332) 4.384 6.234 ( -1.244 0.022 0.606) 1.384 6.669 ( -1.424 2.253 1.947) 3.301 6.802 ( 0.848 1.465 -1.737) 2.425 6.815 ( -0.620 -4.864 -0.092) 4.905 6.900 ( 0.824 -3.139 -2.403) 4.038 ======================= Grid point 256 (137/170) ======================= q-point: (-0.12 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -0.429 19.071 10.548) 21.797 2.103 ( -2.497 13.198 15.933) 20.839 2.372 ( -2.396 -1.741 4.056) 5.022 2.572 ( 1.676 -1.798 3.189) 4.027 2.629 ( 0.453 -5.316 2.206) 5.774 2.724 ( -2.460 2.999 -1.445) 4.139 3.025 ( -3.975 6.066 1.564) 7.419 3.105 ( -3.406 -2.920 -3.104) 5.456 3.138 ( 2.689 5.778 -1.281) 6.501 3.372 ( -5.317 -3.991 1.538) 6.823 3.475 ( 2.294 -2.708 -4.978) 6.113 3.549 ( 2.721 -6.745 -6.765) 9.933 3.682 ( -1.686 2.739 5.352) 6.244 3.896 ( -0.407 -2.417 0.243) 2.463 4.039 ( -7.719 3.860 2.750) 9.058 4.287 ( -3.691 -4.356 -6.159) 8.398 4.317 ( 4.581 1.069 10.407) 11.421 4.523 ( 3.330 -7.077 10.721) 13.270 4.929 ( 4.062 3.751 -3.832) 6.727 5.083 ( 6.772 -2.773 0.191) 7.321 5.140 ( 1.927 1.683 2.768) 3.769 5.280 ( 3.003 -3.846 -0.903) 4.963 5.411 ( -2.360 2.108 -3.195) 4.497 5.441 ( -1.542 0.044 -3.889) 4.184 5.600 ( 1.640 -0.495 1.749) 2.448 5.624 ( 1.792 -1.154 3.081) 3.746 5.789 ( -0.663 2.550 -0.509) 2.683 5.821 ( 0.703 1.628 -2.133) 2.774 5.971 ( 1.246 3.664 2.369) 4.537 5.999 ( -0.520 2.483 1.928) 3.186 6.129 ( -1.043 3.896 0.346) 4.048 6.206 ( -2.138 0.072 0.584) 2.217 6.661 ( -1.264 2.066 2.000) 3.141 6.792 ( -1.584 -3.038 1.864) 3.900 6.808 ( 1.470 -0.320 -4.192) 4.454 6.890 ( 0.670 -2.917 -2.892) 4.161 ======================= Grid point 257 (138/170) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 2.267 -11.607 8.359) 14.483 2.283 ( 2.267 11.607 8.359) 14.483 2.471 ( 2.240 -9.310 6.336) 11.482 2.471 ( 2.240 9.310 6.336) 11.482 2.704 ( 1.306 -3.196 0.749) 3.533 2.704 ( 1.306 3.196 0.749) 3.533 2.955 ( -6.456 -4.626 -2.795) 8.420 2.955 ( -6.456 4.626 -2.795) 8.420 3.267 ( 2.024 -3.162 -1.411) 4.011 3.267 ( 2.024 3.162 -1.411) 4.011 3.426 ( 1.949 -4.718 -6.106) 7.959 3.426 ( 1.949 4.718 -6.106) 7.959 3.821 ( -0.515 -6.108 5.766) 8.415 3.821 ( -0.515 6.108 5.766) 8.415 4.031 ( -5.777 -7.257 -1.001) 9.329 4.031 ( -5.777 7.257 -1.001) 9.329 4.566 ( 3.082 -4.687 12.588) 13.782 4.566 ( 3.082 4.687 12.588) 13.782 5.044 ( 1.937 -5.818 -7.814) 9.933 5.044 ( 1.937 5.818 -7.814) 9.933 5.246 ( 1.982 -2.960 -0.234) 3.570 5.246 ( 1.982 2.960 -0.234) 3.570 5.380 ( -0.835 -0.404 -2.422) 2.594 5.380 ( -0.835 0.404 -2.422) 2.594 5.655 ( 0.100 -1.270 3.938) 4.139 5.655 ( 0.100 1.270 3.938) 4.139 5.812 ( 0.632 -1.298 -2.807) 3.157 5.812 ( 0.632 1.298 -2.807) 3.157 6.046 ( 0.453 -0.272 1.863) 1.937 6.046 ( 0.453 0.272 1.863) 1.937 6.169 ( -1.013 -0.857 0.995) 1.659 6.169 ( -1.013 0.857 0.995) 1.659 6.708 ( -1.009 -3.331 1.591) 3.826 6.708 ( -1.009 3.331 1.591) 3.826 6.826 ( 0.724 -2.269 -2.964) 3.803 6.826 ( 0.724 2.269 -2.964) 3.803 ======================= Grid point 259 (139/170) ======================= q-point: ( 0.12 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 2.941 -3.536 4.826) 6.667 2.392 ( 2.941 3.536 4.826) 6.667 2.531 ( 2.091 -10.162 -2.210) 10.608 2.531 ( 2.091 10.162 -2.210) 10.608 2.770 ( -0.533 -3.380 3.546) 4.928 2.770 ( -0.533 3.380 3.546) 4.928 2.844 ( -0.778 -3.497 1.552) 3.904 2.844 ( -0.778 3.497 1.552) 3.904 3.272 ( 0.536 -6.619 -5.140) 8.397 3.272 ( 0.536 6.619 -5.140) 8.397 3.407 ( 0.701 -3.020 -2.481) 3.971 3.407 ( 0.701 3.020 -2.481) 3.971 3.872 ( -0.071 -1.603 2.605) 3.059 3.872 ( -0.071 1.603 2.605) 3.059 3.968 ( -0.572 -9.595 5.466) 11.058 3.968 ( -0.572 9.595 5.466) 11.058 4.707 ( 0.781 -4.209 9.314) 10.251 4.707 ( 0.781 4.209 9.314) 10.251 4.957 ( -1.324 -4.755 -11.197) 12.237 4.957 ( -1.324 4.755 -11.197) 12.237 5.262 ( 0.258 -1.795 -1.185) 2.167 5.262 ( 0.258 1.795 -1.185) 2.167 5.370 ( 1.150 -1.366 -0.983) 2.038 5.370 ( 1.150 1.366 -0.983) 2.038 5.662 ( -2.341 -1.675 2.419) 3.760 5.662 ( -2.341 1.675 2.419) 3.760 5.806 ( 1.372 -0.813 -2.613) 3.062 5.806 ( 1.372 0.813 -2.613) 3.062 6.062 ( -0.128 -1.100 0.554) 1.238 6.062 ( -0.128 1.100 0.554) 1.238 6.167 ( -0.277 -1.425 1.400) 2.016 6.167 ( -0.277 1.425 1.400) 2.016 6.706 ( -0.748 -2.877 1.697) 3.423 6.706 ( -0.748 2.877 1.697) 3.423 6.817 ( 0.753 -2.182 -2.124) 3.137 6.817 ( 0.753 2.182 -2.124) 3.137 ======================= Grid point 261 (140/170) ======================= q-point: ( 0.25 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 2.746 -10.011 -4.567) 11.341 2.460 ( 2.746 10.011 -4.567) 11.341 2.546 ( 0.666 -7.560 1.929) 7.830 2.546 ( 0.666 7.560 1.929) 7.830 2.674 ( -4.795 -1.643 -3.244) 6.018 2.674 ( -4.795 1.643 -3.244) 6.018 2.970 ( 4.061 -5.101 7.200) 9.714 2.970 ( 4.061 5.101 7.200) 9.714 3.195 ( -2.053 -1.731 -5.903) 6.485 3.195 ( -2.053 1.731 -5.903) 6.485 3.434 ( 2.129 -4.786 2.138) 5.657 3.434 ( 2.129 4.786 2.138) 5.657 3.861 ( 0.207 -3.710 -1.471) 3.996 3.861 ( 0.207 3.710 -1.471) 3.996 4.099 ( 4.222 -9.682 10.998) 15.248 4.099 ( 4.222 9.682 10.998) 15.248 4.701 ( -4.356 -1.166 -5.561) 7.159 4.701 ( -4.356 1.166 -5.561) 7.159 4.861 ( -1.069 -4.443 -2.294) 5.114 4.861 ( -1.069 4.443 -2.294) 5.114 5.238 ( -0.818 -1.879 -2.833) 3.496 5.238 ( -0.818 1.879 -2.833) 3.496 5.394 ( 1.627 -1.539 0.363) 2.269 5.394 ( 1.627 1.539 0.363) 2.269 5.622 ( -2.500 -1.735 -0.251) 3.053 5.622 ( -2.500 1.735 -0.251) 3.053 5.814 ( 1.205 -1.092 -1.426) 2.163 5.814 ( 1.205 1.092 -1.426) 2.163 6.045 ( -1.425 -1.434 -1.052) 2.280 6.045 ( -1.425 1.434 -1.052) 2.280 6.183 ( 0.307 -2.155 1.928) 2.908 6.183 ( 0.307 2.155 1.928) 2.908 6.710 ( -0.380 -2.271 1.791) 2.917 6.710 ( -0.380 2.271 1.791) 2.917 6.818 ( 0.939 -2.021 -1.224) 2.543 6.818 ( 0.939 2.021 -1.224) 2.543 ======================= Grid point 263 (141/170) ======================= q-point: ( 0.38 -0.50 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -3.456 -7.386 -7.195) 10.875 2.411 ( -3.456 7.386 -7.195) 10.875 2.459 ( -4.795 -7.091 -5.055) 9.941 2.459 ( -4.795 7.091 -5.055) 9.941 2.699 ( 3.847 -8.885 6.067) 11.426 2.699 ( 3.847 8.885 6.067) 11.426 3.057 ( 0.438 -4.630 2.159) 5.127 3.057 ( 0.438 4.630 2.159) 5.127 3.141 ( 0.618 -3.289 -2.344) 4.086 3.141 ( 0.618 3.289 -2.344) 4.086 3.505 ( 2.297 -3.956 2.907) 5.420 3.505 ( 2.297 3.956 2.907) 5.420 3.877 ( 1.605 -3.148 1.594) 3.877 3.877 ( 1.605 3.148 1.594) 3.877 4.278 ( 3.745 -6.922 10.127) 12.825 4.278 ( 3.745 6.922 10.127) 12.825 4.516 ( -6.204 -1.686 -9.837) 11.751 4.516 ( -6.204 1.686 -9.837) 11.751 4.819 ( -1.992 -3.285 -2.221) 4.438 4.819 ( -1.992 3.285 -2.221) 4.438 5.183 ( -1.321 -1.910 -4.500) 5.064 5.183 ( -1.321 1.910 -4.500) 5.064 5.438 ( 1.773 -0.295 1.897) 2.613 5.438 ( 1.773 0.295 1.897) 2.613 5.573 ( -1.536 -1.403 -1.919) 2.831 5.573 ( -1.536 1.403 -1.919) 2.831 5.822 ( 0.717 -1.695 -0.985) 2.087 5.822 ( 0.717 1.695 -0.985) 2.087 6.002 ( -1.556 -1.184 -1.108) 2.248 6.002 ( -1.556 1.184 -1.108) 2.248 6.208 ( 0.439 -1.085 1.851) 2.190 6.208 ( 0.439 1.085 1.851) 2.190 6.722 ( -0.101 -2.090 1.786) 2.751 6.722 ( -0.101 2.090 1.786) 2.751 6.828 ( 0.901 -1.996 -0.775) 2.323 6.828 ( 0.901 1.996 -0.775) 2.323 ======================= Grid point 265 (142/170) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -6.976 -3.274 -6.097) 9.827 2.221 ( -6.976 3.274 -6.097) 9.827 2.379 ( -3.869 -8.239 1.032) 9.161 2.379 ( -3.869 8.239 1.032) 9.161 2.811 ( 0.808 -7.852 5.886) 9.847 2.811 ( 0.808 7.852 5.886) 9.847 3.076 ( 3.001 -3.878 -2.057) 5.317 3.076 ( 3.001 3.878 -2.057) 5.317 3.154 ( 3.235 -4.221 -3.439) 6.333 3.154 ( 3.235 4.221 -3.439) 6.333 3.549 ( -0.544 -2.082 2.614) 3.386 3.549 ( -0.544 2.082 2.614) 3.386 3.947 ( 2.197 -2.516 5.085) 6.084 3.947 ( 2.197 2.516 5.085) 6.084 4.268 ( -7.960 -2.823 -5.228) 9.933 4.268 ( -7.960 2.823 -5.228) 9.933 4.434 ( -1.197 -1.983 7.470) 7.820 4.434 ( -1.197 1.983 7.470) 7.820 4.772 ( 1.650 -3.242 -4.840) 6.054 4.772 ( 1.650 3.242 -4.840) 6.054 5.120 ( -0.676 -2.314 -4.489) 5.096 5.120 ( -0.676 2.314 -4.489) 5.096 5.479 ( 0.815 -1.021 0.617) 1.445 5.479 ( 0.815 1.021 0.617) 1.445 5.541 ( 0.245 -1.378 -1.542) 2.082 5.541 ( 0.245 1.378 -1.542) 2.082 5.823 ( 0.357 -1.363 -0.860) 1.651 5.823 ( 0.357 1.363 -0.860) 1.651 5.977 ( -0.521 -1.910 -0.193) 1.989 5.977 ( -0.521 1.910 -0.193) 1.989 6.228 ( 0.126 -0.263 1.303) 1.335 6.228 ( 0.126 0.263 1.303) 1.335 6.735 ( -0.239 -2.808 1.571) 3.227 6.735 ( -0.239 2.808 1.571) 3.227 6.836 ( 0.753 -2.256 -0.857) 2.528 6.836 ( 0.753 2.256 -0.857) 2.528 ======================= Grid point 267 (143/170) ======================= q-point: (-0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( -4.822 -8.235 2.579) 9.886 2.088 ( -4.822 8.235 2.579) 9.886 2.323 ( -3.951 -13.693 3.651) 14.712 2.323 ( -3.951 13.693 3.651) 14.712 2.809 ( -3.783 -7.196 2.061) 8.387 2.809 ( -3.783 7.196 2.061) 8.387 3.139 ( 4.476 -8.464 -2.286) 9.844 3.139 ( 4.476 8.464 -2.286) 9.844 3.207 ( 6.287 -7.075 -5.466) 10.929 3.207 ( 6.287 7.075 -5.466) 10.929 3.532 ( -3.416 -1.198 2.652) 4.488 3.532 ( -3.416 1.198 2.652) 4.488 3.996 ( -3.132 -1.057 -1.985) 3.856 3.996 ( -3.132 1.057 -1.985) 3.856 4.113 ( -2.995 -10.237 5.620) 12.056 4.113 ( -2.995 10.237 5.620) 12.056 4.411 ( -7.130 -5.814 5.844) 10.899 4.411 ( -7.130 5.814 5.844) 10.899 4.816 ( 6.028 -2.179 -3.279) 7.200 4.816 ( 6.028 2.179 -3.279) 7.200 5.096 ( 1.655 -3.182 -2.364) 4.296 5.096 ( 1.655 3.182 -2.364) 4.296 5.487 ( 0.561 -2.077 -0.323) 2.176 5.487 ( 0.561 2.077 -0.323) 2.176 5.547 ( 1.000 -0.687 -1.241) 1.736 5.547 ( 1.000 0.687 -1.241) 1.736 5.825 ( 0.577 -0.921 -0.602) 1.242 5.825 ( 0.577 0.921 -0.602) 1.242 5.974 ( 0.052 -2.422 0.419) 2.458 5.974 ( 0.052 2.422 0.419) 2.458 6.233 ( -0.682 -1.236 0.755) 1.601 6.233 ( -0.682 1.236 0.755) 1.601 6.738 ( -0.822 -3.762 1.298) 4.063 6.738 ( -0.822 3.762 1.298) 4.063 6.842 ( 0.897 -2.720 -1.467) 3.218 6.842 ( 0.897 2.720 -1.467) 3.218 ======================= Grid point 269 (144/170) ======================= q-point: (-0.25 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( -2.016 -13.047 10.261) 16.720 2.085 ( -2.016 13.047 10.261) 16.720 2.307 ( -1.941 -15.379 6.163) 16.681 2.307 ( -1.941 15.379 6.163) 16.681 2.747 ( -2.611 -8.508 -0.998) 8.956 2.747 ( -2.611 8.508 -0.998) 8.956 3.172 ( 0.887 -7.198 -2.980) 7.841 3.172 ( 0.887 7.198 -2.980) 7.841 3.256 ( 3.225 -7.164 -5.313) 9.484 3.256 ( 3.225 7.164 -5.313) 9.484 3.483 ( -2.949 -4.652 0.659) 5.547 3.483 ( -2.949 4.652 0.659) 5.547 3.863 ( -4.672 -5.191 -2.633) 7.463 3.863 ( -4.672 5.191 -2.633) 7.463 4.214 ( 2.191 -7.580 11.864) 14.248 4.214 ( 2.191 7.580 11.864) 14.248 4.301 ( -7.766 -6.835 2.437) 10.629 4.301 ( -7.766 6.835 2.437) 10.629 4.915 ( 6.247 -1.988 -1.214) 6.667 4.915 ( 6.247 1.988 -1.214) 6.667 5.136 ( 3.386 -4.237 -0.528) 5.450 5.136 ( 3.386 4.237 -0.528) 5.450 5.487 ( -0.396 -2.118 -1.734) 2.766 5.487 ( -0.396 2.118 -1.734) 2.766 5.558 ( 1.370 -0.668 0.062) 1.525 5.558 ( 1.370 0.668 0.062) 1.525 5.830 ( 0.481 -0.833 -0.843) 1.279 5.830 ( 0.481 0.833 -0.843) 1.279 5.987 ( 0.612 -1.934 1.238) 2.376 5.987 ( 0.612 1.934 1.238) 2.376 6.216 ( -1.622 -1.983 0.558) 2.622 6.216 ( -1.622 1.983 0.558) 2.622 6.728 ( -1.277 -3.954 1.263) 4.342 6.728 ( -1.277 3.954 1.263) 4.342 6.843 ( 1.084 -2.684 -2.431) 3.780 6.843 ( 1.084 2.684 -2.431) 3.780 ======================= Grid point 271 (145/170) ======================= q-point: (-0.12 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 0.422 -16.003 10.927) 19.382 2.169 ( 0.422 16.003 10.927) 19.382 2.366 ( 0.553 -14.182 9.485) 17.071 2.366 ( 0.553 14.182 9.485) 17.071 2.705 ( -0.309 -7.291 -2.108) 7.596 2.705 ( -0.309 7.291 -2.108) 7.596 3.101 ( -5.431 -0.848 -2.669) 6.111 3.101 ( -5.431 0.848 -2.669) 6.111 3.253 ( 1.535 -5.498 -3.595) 6.746 3.253 ( 1.535 5.498 -3.595) 6.746 3.443 ( 0.469 -3.645 -3.783) 5.274 3.443 ( 0.469 3.645 -3.783) 5.274 3.805 ( -1.504 -6.763 1.873) 7.177 3.805 ( -1.504 6.763 1.873) 7.177 4.164 ( -7.401 -7.683 0.100) 10.668 4.164 ( -7.401 7.683 0.100) 10.668 4.385 ( 3.590 -5.901 12.914) 14.645 4.385 ( 3.590 5.901 12.914) 14.645 5.015 ( 5.308 -4.414 -2.357) 7.295 5.015 ( 5.308 4.414 -2.357) 7.295 5.198 ( 3.142 -4.178 -0.092) 5.228 5.198 ( 3.142 4.178 -0.092) 5.228 5.438 ( -1.770 -0.668 -3.711) 4.166 5.438 ( -1.770 0.668 -3.711) 4.166 5.603 ( 1.661 -0.828 2.860) 3.409 5.603 ( 1.661 0.828 2.860) 3.409 5.825 ( 0.230 -1.018 -1.747) 2.035 5.825 ( 0.230 1.018 -1.747) 2.035 6.016 ( 0.743 -0.797 2.056) 2.327 6.016 ( 0.743 0.797 2.056) 2.327 6.188 ( -1.736 -2.076 0.719) 2.800 6.188 ( -1.736 2.076 0.719) 2.800 6.716 ( -1.246 -3.653 1.424) 4.114 6.716 ( -1.246 3.653 1.424) 4.114 6.838 ( 0.954 -2.378 -3.103) 4.024 6.838 ( 0.954 2.378 -3.103) 4.024 ======================= Grid point 297 (146/170) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -6.244 0.000 -12.982) 14.406 1.643 ( 6.244 0.000 12.982) 14.406 1.844 ( 5.699 0.000 -15.051) 16.094 1.844 ( -5.699 0.000 15.051) 16.094 2.971 ( -1.526 0.000 -0.064) 1.527 2.971 ( 1.526 0.000 0.064) 1.527 3.197 ( -0.459 0.000 -1.778) 1.837 3.197 ( 0.459 0.000 1.778) 1.837 3.272 ( -3.815 0.000 -1.597) 4.136 3.272 ( 3.815 0.000 1.597) 4.136 3.518 ( 6.017 0.000 -2.586) 6.549 3.518 ( -6.017 0.000 2.586) 6.549 3.779 ( 5.805 0.000 -3.425) 6.740 3.779 ( -5.805 0.000 3.425) 6.740 4.176 ( 0.437 0.000 -4.354) 4.376 4.176 ( -0.437 0.000 4.354) 4.376 4.777 ( -12.165 0.000 -1.760) 12.291 4.777 ( 12.165 0.000 1.760) 12.291 4.975 ( -3.164 0.000 -7.294) 7.951 4.975 ( 3.164 0.000 7.294) 7.951 5.252 ( 1.689 0.000 -1.103) 2.017 5.252 ( -1.689 0.000 1.103) 2.017 5.356 ( -3.551 0.000 1.044) 3.701 5.356 ( 3.551 0.000 -1.044) 3.701 5.611 ( 3.436 0.000 -1.590) 3.786 5.611 ( -3.436 0.000 1.590) 3.786 5.720 ( -3.639 0.000 0.286) 3.651 5.720 ( 3.639 0.000 -0.286) 3.651 5.882 ( 1.273 0.000 -2.018) 2.386 5.882 ( -1.273 0.000 2.018) 2.386 6.076 ( -5.096 0.000 -2.537) 5.692 6.076 ( 5.096 0.000 2.537) 5.692 6.699 ( 0.910 0.000 -3.740) 3.850 6.699 ( -0.910 0.000 3.740) 3.850 6.946 ( -2.259 0.000 -0.263) 2.275 6.946 ( 2.259 0.000 0.263) 2.275 ======================= Grid point 299 (147/170) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 10.508 0.000 -14.627) 18.010 1.866 ( 11.726 0.000 -12.915) 17.444 1.932 ( 0.796 0.000 14.308) 14.330 2.009 ( 18.430 0.000 8.666) 20.366 2.882 ( -3.517 0.000 -6.176) 7.107 2.890 ( -9.310 0.000 -2.728) 9.701 3.135 ( -2.140 0.000 -5.734) 6.120 3.140 ( -2.148 0.000 -2.980) 3.674 3.235 ( 1.637 0.000 -4.668) 4.947 3.353 ( 1.353 0.000 5.418) 5.584 3.500 ( -1.509 0.000 6.468) 6.642 3.645 ( 10.313 0.000 -7.170) 12.561 3.748 ( -3.937 0.000 11.587) 12.237 3.880 ( 4.095 0.000 3.179) 5.184 4.114 ( -2.985 0.000 -3.066) 4.279 4.169 ( -3.921 0.000 3.729) 5.411 4.506 ( -11.873 0.000 -5.807) 13.217 4.786 ( -5.666 0.000 -9.186) 10.793 5.013 ( 6.730 0.000 -0.634) 6.759 5.091 ( 0.795 0.000 8.064) 8.103 5.182 ( -5.535 0.000 -0.029) 5.535 5.244 ( -0.262 0.000 -2.194) 2.210 5.310 ( -1.943 0.000 2.420) 3.104 5.413 ( 3.264 0.000 -1.654) 3.659 5.582 ( -0.877 0.000 1.266) 1.540 5.655 ( -3.120 0.000 0.435) 3.151 5.676 ( 4.618 0.000 -1.929) 5.005 5.754 ( 0.435 0.000 -2.067) 2.112 5.874 ( -1.423 0.000 1.694) 2.212 5.911 ( 3.856 0.000 -1.240) 4.051 5.947 ( -4.348 0.000 -4.312) 6.124 6.170 ( 3.139 0.000 0.891) 3.263 6.690 ( 1.484 0.000 -3.432) 3.739 6.718 ( -0.717 0.000 3.237) 3.316 6.911 ( -1.559 0.000 1.326) 2.046 6.992 ( 1.739 0.000 1.272) 2.154 ======================= Grid point 300 (148/170) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 17.934 0.000 -14.912) 23.323 2.014 ( 15.730 0.000 -12.378) 20.016 2.111 ( 5.085 0.000 12.464) 13.461 2.451 ( 18.097 0.000 6.033) 19.077 2.626 ( -14.383 0.000 -1.924) 14.511 2.769 ( -4.396 0.000 -1.722) 4.722 3.064 ( 1.287 0.000 -6.993) 7.110 3.087 ( 1.081 0.000 -4.695) 4.818 3.241 ( 3.302 0.000 -3.502) 4.814 3.422 ( 0.598 0.000 5.872) 5.902 3.523 ( -0.123 0.000 1.972) 1.976 3.751 ( 10.185 0.000 -13.057) 16.559 3.826 ( -2.446 0.000 17.120) 17.294 3.913 ( -6.266 0.000 3.870) 7.365 4.074 ( 1.737 0.000 1.380) 2.219 4.102 ( -5.780 0.000 2.413) 6.264 4.244 ( -10.028 0.000 -6.218) 11.800 4.554 ( -11.113 0.000 -6.502) 12.875 5.007 ( -8.654 0.000 -0.987) 8.711 5.021 ( -1.089 0.000 -6.604) 6.693 5.191 ( 0.372 0.000 5.064) 5.078 5.199 ( -1.261 0.000 -3.647) 3.859 5.368 ( 2.674 0.000 4.570) 5.294 5.431 ( 0.019 0.000 -1.634) 1.634 5.600 ( 1.784 0.000 0.979) 2.034 5.621 ( -1.103 0.000 1.425) 1.802 5.701 ( 0.733 0.000 -3.768) 3.839 5.764 ( 3.454 0.000 -1.797) 3.893 5.843 ( -1.869 0.000 -4.885) 5.230 5.861 ( -1.566 0.000 1.803) 2.388 6.007 ( 5.418 0.000 0.442) 5.436 6.213 ( 0.933 0.000 0.291) 0.977 6.692 ( 1.644 0.000 -3.101) 3.510 6.722 ( -1.408 0.000 2.362) 2.750 6.918 ( 0.273 0.000 2.690) 2.703 7.027 ( 0.553 0.000 1.460) 1.561 ======================= Grid point 301 (149/170) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 15.490 0.000 -14.056) 20.917 2.221 ( 14.174 0.000 -8.389) 16.471 2.325 ( 6.316 0.000 10.270) 12.057 2.333 ( -12.276 0.000 -0.997) 12.317 2.660 ( -10.870 0.000 8.009) 13.502 2.672 ( 1.510 0.000 -4.015) 4.289 3.137 ( 7.582 0.000 2.519) 7.989 3.139 ( 9.864 0.000 -7.471) 12.373 3.326 ( 8.698 0.000 0.352) 8.705 3.476 ( 0.979 0.000 2.812) 2.977 3.537 ( 1.666 0.000 -1.928) 2.548 3.775 ( -6.018 0.000 -2.358) 6.464 3.818 ( 6.344 0.000 -8.601) 10.687 3.909 ( -4.560 0.000 13.300) 14.060 4.010 ( -6.045 0.000 3.120) 6.802 4.018 ( -9.930 0.000 -1.538) 10.048 4.134 ( 2.522 0.000 -0.700) 2.618 4.279 ( -11.688 0.000 -2.972) 12.060 4.862 ( -5.287 0.000 0.754) 5.341 4.920 ( -2.156 0.000 -7.135) 7.453 5.152 ( -0.599 0.000 -2.062) 2.147 5.199 ( -2.056 0.000 0.098) 2.059 5.413 ( -0.597 0.000 0.941) 1.115 5.424 ( 0.633 0.000 0.770) 0.997 5.637 ( 0.540 0.000 2.804) 2.855 5.662 ( 3.013 0.000 1.425) 3.333 5.694 ( 1.477 0.000 -3.217) 3.540 5.769 ( -1.306 0.000 -3.114) 3.376 5.814 ( 2.688 0.000 -2.651) 3.776 5.849 ( -1.606 0.000 2.223) 2.742 6.108 ( 4.501 0.000 0.583) 4.539 6.214 ( -0.889 0.000 0.040) 0.889 6.696 ( 1.622 0.000 -2.883) 3.308 6.712 ( -1.684 0.000 2.352) 2.893 6.960 ( 1.464 0.000 2.472) 2.873 7.034 ( -0.809 0.000 0.491) 0.946 ======================= Grid point 302 (150/170) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 14.434 0.000 -8.675) 16.841 2.087 ( -14.434 0.000 8.675) 16.841 2.435 ( 10.781 0.000 -8.884) 13.970 2.435 ( -10.781 0.000 8.884) 13.970 2.575 ( -0.239 0.000 -10.268) 10.271 2.575 ( 0.239 0.000 10.268) 10.271 3.227 ( 3.152 0.000 -6.174) 6.932 3.227 ( -3.152 0.000 6.174) 6.932 3.506 ( 0.244 0.000 -2.946) 2.956 3.506 ( -0.244 0.000 2.946) 2.956 3.599 ( -11.618 0.000 2.337) 11.851 3.599 ( 11.618 0.000 -2.337) 11.851 3.888 ( 4.813 0.000 -5.680) 7.446 3.888 ( -4.813 0.000 5.680) 7.446 3.910 ( 4.871 0.000 -2.456) 5.455 3.910 ( -4.871 0.000 2.456) 5.455 4.153 ( 2.698 0.000 -3.495) 4.415 4.153 ( -2.698 0.000 3.495) 4.415 4.840 ( 0.087 0.000 -4.954) 4.955 4.840 ( -0.087 0.000 4.954) 4.955 5.153 ( -1.557 0.000 -0.319) 1.589 5.153 ( 1.557 0.000 0.319) 1.589 5.423 ( -0.010 0.000 -1.389) 1.389 5.423 ( 0.010 0.000 1.389) 1.389 5.677 ( -0.251 0.000 -3.549) 3.558 5.677 ( 0.251 0.000 3.549) 3.558 5.721 ( -1.690 0.000 -1.667) 2.373 5.721 ( 1.690 0.000 1.667) 2.373 5.836 ( 2.021 0.000 -2.544) 3.249 5.836 ( -2.021 0.000 2.544) 3.249 6.180 ( -2.637 0.000 -0.269) 2.651 6.180 ( 2.637 0.000 0.269) 2.651 6.703 ( 1.660 0.000 -2.637) 3.116 6.703 ( -1.660 0.000 2.637) 3.116 7.007 ( -1.620 0.000 -1.142) 1.982 7.007 ( 1.620 0.000 1.142) 1.982 ======================= Grid point 307 (151/170) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -7.083 6.590 -12.730) 15.990 1.703 ( 7.083 6.590 12.730) 15.990 1.947 ( 5.196 9.865 -13.281) 17.341 1.947 ( -5.196 9.865 13.281) 17.341 2.951 ( -2.655 -1.580 -0.522) 3.134 2.951 ( 2.655 -1.580 0.522) 3.134 3.152 ( -2.427 -3.891 -4.906) 6.715 3.152 ( 2.427 -3.891 4.906) 6.715 3.323 ( -4.493 3.765 -1.954) 6.179 3.323 ( 4.493 3.765 1.954) 6.179 3.495 ( -2.987 -2.532 -11.216) 11.880 3.495 ( 2.987 -2.532 11.216) 11.880 3.793 ( 3.230 1.991 -8.252) 9.083 3.793 ( -3.230 1.991 8.252) 9.083 4.131 ( -1.578 -4.720 -4.101) 6.449 4.131 ( 1.578 -4.720 4.101) 6.449 4.736 ( -7.948 -2.753 -5.350) 9.969 4.736 ( 7.948 -2.753 5.350) 9.969 4.998 ( -4.635 1.336 -7.504) 8.921 4.998 ( 4.635 1.336 7.504) 8.921 5.250 ( 1.192 -0.151 -1.678) 2.063 5.250 ( -1.192 -0.151 1.678) 2.063 5.365 ( 0.434 0.650 -0.409) 0.882 5.365 ( -0.434 0.650 0.409) 0.882 5.650 ( 1.975 3.512 -1.374) 4.257 5.650 ( -1.975 3.512 1.374) 4.257 5.715 ( -3.199 -0.353 -0.177) 3.224 5.715 ( 3.199 -0.353 0.177) 3.224 5.896 ( 0.668 1.680 -1.345) 2.253 5.896 ( -0.668 1.680 1.345) 2.253 6.086 ( -4.497 1.109 -2.323) 5.181 6.086 ( 4.497 1.109 2.323) 5.181 6.700 ( 0.996 0.081 -3.839) 3.967 6.700 ( -0.996 0.081 3.839) 3.967 6.930 ( -1.051 -1.632 -0.730) 2.074 6.930 ( 1.051 -1.632 0.730) 2.074 ======================= Grid point 309 (152/170) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 8.209 4.290 -14.437) 17.153 1.962 ( 9.472 8.604 -8.378) 15.295 2.023 ( 3.148 8.427 8.122) 12.120 2.070 ( 16.265 6.955 9.152) 19.917 2.812 ( -9.151 -3.392 -1.304) 9.846 2.953 ( -2.668 2.866 -4.942) 6.305 3.069 ( 0.140 -3.977 -6.249) 7.408 3.162 ( -3.765 -1.727 -5.726) 7.068 3.255 ( 1.303 2.926 1.153) 3.404 3.350 ( -1.207 -1.917 -0.039) 2.265 3.456 ( 2.490 -1.820 1.873) 3.608 3.669 ( 2.462 -1.130 13.023) 13.302 3.773 ( 1.111 2.668 -1.632) 3.319 3.847 ( 2.005 -0.455 1.181) 2.371 4.053 ( -2.851 -5.606 -2.463) 6.755 4.182 ( -0.349 0.014 4.510) 4.523 4.501 ( -9.373 -0.018 -8.186) 12.445 4.790 ( -4.868 -0.361 -7.965) 9.342 4.922 ( 1.687 -5.021 2.557) 5.881 5.128 ( -1.074 0.504 3.655) 3.843 5.197 ( -0.954 1.327 0.182) 1.645 5.252 ( 0.322 0.895 -1.107) 1.459 5.320 ( -2.253 0.834 2.162) 3.232 5.412 ( 2.626 -0.206 -1.343) 2.956 5.616 ( -1.640 3.007 1.300) 3.663 5.645 ( -3.004 -0.521 0.426) 3.078 5.710 ( 3.398 2.564 -2.505) 4.939 5.759 ( 1.567 0.543 -1.645) 2.336 5.881 ( -1.073 1.022 0.326) 1.518 5.924 ( 3.331 1.705 -1.070) 3.892 5.977 ( -3.922 2.797 -2.692) 5.518 6.172 ( 2.869 0.340 1.056) 3.076 6.690 ( 1.174 -0.041 -2.891) 3.121 6.719 ( -0.500 0.158 2.822) 2.871 6.899 ( -1.459 -1.224 1.382) 2.353 6.971 ( 1.663 -2.161 0.889) 2.868 ======================= Grid point 310 (153/170) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 16.907 1.028 -14.076) 22.023 2.072 ( 12.205 5.536 -12.333) 18.213 2.183 ( 5.429 6.643 9.097) 12.504 2.481 ( 16.008 3.096 6.193) 17.441 2.588 ( -12.952 -2.300 -1.324) 13.221 2.821 ( -7.449 3.692 0.452) 8.326 3.042 ( 2.398 -4.259 -6.212) 7.904 3.072 ( 3.052 1.079 -6.922) 7.642 3.283 ( 1.626 3.451 -0.478) 3.845 3.378 ( 1.188 -4.687 4.560) 6.646 3.506 ( 1.120 -0.939 0.721) 1.630 3.761 ( -1.366 -5.745 1.937) 6.215 3.813 ( 1.325 -1.745 3.106) 3.801 3.875 ( 1.102 5.100 2.133) 5.637 4.008 ( -0.974 -3.700 0.646) 3.880 4.205 ( -0.835 5.456 3.355) 6.459 4.261 ( -8.350 1.804 -6.952) 11.014 4.570 ( -10.992 1.143 -5.499) 12.344 4.939 ( -0.541 -6.404 -2.700) 6.970 5.001 ( -8.455 -0.567 -1.485) 8.603 5.168 ( -1.169 -0.341 -3.641) 3.839 5.268 ( -1.147 3.176 0.677) 3.444 5.374 ( 3.113 0.548 4.882) 5.816 5.432 ( 0.443 -0.043 -0.803) 0.918 5.602 ( -0.883 -0.908 1.190) 1.738 5.615 ( -0.370 0.560 0.284) 0.729 5.710 ( 0.867 1.127 -3.053) 3.368 5.794 ( 3.299 2.275 -1.963) 4.463 5.851 ( -1.173 1.543 -2.666) 3.296 5.899 ( -2.218 3.100 0.114) 3.813 6.015 ( 5.193 1.266 0.571) 5.375 6.214 ( 0.840 0.180 0.485) 0.986 6.691 ( 1.476 -0.044 -2.665) 3.046 6.724 ( -1.283 0.191 2.100) 2.468 6.906 ( 0.199 -1.204 2.633) 2.902 7.003 ( 0.669 -2.483 1.061) 2.782 ======================= Grid point 311 (154/170) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 15.707 0.881 -12.702) 20.219 2.208 ( 13.239 -0.385 -10.936) 17.176 2.326 ( -12.606 -0.647 -0.118) 12.623 2.371 ( 5.514 4.116 8.015) 10.563 2.631 ( -8.457 -1.238 7.360) 11.280 2.698 ( -3.484 1.215 -2.099) 4.245 3.117 ( 9.693 -1.376 -5.091) 11.034 3.168 ( 7.376 1.804 1.345) 7.712 3.354 ( 5.990 2.087 3.266) 7.134 3.441 ( 1.902 -3.664 2.184) 4.670 3.517 ( 0.699 -1.968 -1.569) 2.612 3.694 ( -5.367 -6.831 0.433) 8.698 3.847 ( 6.688 1.586 -9.072) 11.381 3.917 ( -1.652 3.344 4.021) 5.485 4.007 ( -1.679 -0.126 1.527) 2.273 4.075 ( -8.137 5.271 2.191) 9.939 4.208 ( 0.135 5.334 -2.464) 5.877 4.311 ( -12.243 3.684 0.846) 12.813 4.851 ( -5.519 -1.100 0.056) 5.628 4.874 ( -1.567 -4.319 -5.469) 7.142 5.130 ( 0.156 -1.256 -2.013) 2.378 5.217 ( -3.323 0.625 -1.670) 3.771 5.429 ( -0.316 1.322 1.620) 2.115 5.438 ( 0.660 1.475 0.473) 1.684 5.617 ( 0.459 -1.911 2.312) 3.034 5.632 ( 1.803 -2.314 -0.248) 2.944 5.719 ( 1.725 2.178 -1.124) 2.997 5.794 ( -1.262 2.182 -2.778) 3.751 5.836 ( 2.559 1.814 -2.541) 4.037 5.876 ( -1.817 2.504 2.165) 3.776 6.114 ( 4.381 0.799 0.543) 4.486 6.216 ( -0.904 0.254 0.214) 0.963 6.696 ( 1.540 0.064 -2.551) 2.981 6.714 ( -1.589 0.222 2.121) 2.659 6.945 ( 1.238 -1.542 2.453) 3.151 7.010 ( -0.535 -2.410 0.212) 2.478 ======================= Grid point 312 (155/170) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 13.679 1.019 -7.884) 15.821 2.097 ( -13.679 1.019 7.884) 15.821 2.401 ( 13.108 -2.972 -10.325) 16.949 2.401 ( -13.108 -2.972 10.325) 16.949 2.591 ( -1.735 2.148 -9.285) 9.687 2.591 ( 1.735 2.148 9.285) 9.687 3.225 ( 5.131 -0.808 -7.301) 8.961 3.225 ( -5.131 -0.808 7.301) 8.961 3.486 ( 0.169 -3.097 -1.400) 3.403 3.486 ( -0.169 -3.097 1.400) 3.403 3.564 ( -4.270 -2.248 -6.597) 8.173 3.564 ( 4.270 -2.248 6.597) 8.173 3.922 ( 0.266 3.507 -5.292) 6.354 3.922 ( -0.266 3.507 5.292) 6.354 3.956 ( 4.179 3.852 -5.658) 8.020 3.956 ( -4.179 3.852 5.658) 8.020 4.198 ( 3.415 4.978 -6.252) 8.691 4.198 ( -3.415 4.978 6.252) 8.691 4.815 ( 0.517 -2.477 -3.988) 4.723 4.815 ( -0.517 -2.477 3.988) 4.723 5.146 ( -1.970 -0.725 -0.926) 2.294 5.146 ( 1.970 -0.725 0.926) 2.294 5.439 ( 0.149 1.462 -1.276) 1.946 5.439 ( -0.149 1.462 1.276) 1.946 5.644 ( 0.638 -2.652 -2.503) 3.702 5.644 ( -0.638 -2.652 2.503) 3.702 5.750 ( -1.500 2.341 -1.055) 2.973 5.750 ( 1.500 2.341 1.055) 2.973 5.859 ( 2.106 2.007 -2.737) 3.994 5.859 ( -2.106 2.007 2.737) 3.994 6.183 ( -2.410 0.457 -0.247) 2.465 6.183 ( 2.410 0.457 0.247) 2.465 6.704 ( 1.673 0.181 -2.682) 3.166 6.704 ( -1.673 0.181 2.682) 3.166 6.987 ( -1.266 -2.019 -1.294) 2.712 6.987 ( 1.266 -2.019 1.294) 2.712 ======================= Grid point 317 (156/170) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -7.457 12.832 -10.908) 18.419 1.892 ( 7.457 12.832 10.908) 18.419 2.180 ( 3.920 13.658 -10.906) 17.912 2.180 ( -3.920 13.658 10.906) 17.912 2.929 ( -4.424 -0.795 -1.128) 4.634 2.929 ( 4.424 -0.795 1.128) 4.634 3.047 ( -3.092 -7.143 -4.725) 9.106 3.047 ( 3.092 -7.143 4.725) 9.106 3.361 ( -2.515 -1.665 -5.706) 6.454 3.361 ( 2.515 -1.665 5.706) 6.454 3.440 ( -4.464 -1.840 -6.648) 8.216 3.440 ( 4.464 -1.840 6.648) 8.216 3.863 ( 4.685 4.941 -12.014) 13.809 3.863 ( -4.685 4.941 12.014) 13.809 4.013 ( -3.751 -6.543 -3.239) 8.208 4.013 ( 3.751 -6.543 3.239) 8.208 4.708 ( -4.316 -0.033 -8.070) 9.152 4.708 ( 4.316 -0.033 8.070) 9.152 4.999 ( -4.281 -1.530 -8.964) 10.051 4.999 ( 4.281 -1.530 8.964) 10.051 5.249 ( 0.326 0.037 -2.489) 2.510 5.249 ( -0.326 0.037 2.489) 2.510 5.369 ( -0.174 -0.332 -0.463) 0.596 5.369 ( 0.174 -0.332 0.463) 0.596 5.698 ( -0.798 0.735 -1.553) 1.894 5.698 ( 0.798 0.735 1.553) 1.894 5.728 ( 1.813 2.000 -1.898) 3.300 5.728 ( -1.813 2.000 1.898) 3.300 5.952 ( -0.889 4.010 -0.806) 4.186 5.952 ( 0.889 4.010 0.806) 4.186 6.118 ( -3.262 2.140 -1.754) 4.277 6.118 ( 3.262 2.140 1.754) 4.277 6.703 ( 1.109 0.261 -3.845) 4.011 6.703 ( -1.109 0.261 3.845) 4.011 6.886 ( 0.606 -2.820 -1.713) 3.355 6.886 ( -0.606 -2.820 1.713) 3.355 ======================= Grid point 319 (157/170) ======================= q-point: ( 0.12 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 3.826 12.156 -12.524) 17.868 2.145 ( 6.852 10.120 2.986) 12.581 2.205 ( 8.548 10.824 -8.428) 16.164 2.282 ( 7.617 13.693 10.771) 19.014 2.767 ( -9.824 -1.371 -0.690) 9.943 2.946 ( -1.985 -8.769 -4.084) 9.875 3.002 ( 1.394 1.619 -4.021) 4.553 3.128 ( 1.759 -1.795 -3.339) 4.179 3.223 ( -2.346 -5.651 -3.451) 7.024 3.352 ( -3.173 2.233 2.600) 4.670 3.423 ( -0.369 -4.008 4.982) 6.405 3.585 ( 2.861 -5.201 6.787) 9.017 3.813 ( 0.149 0.753 -7.587) 7.625 3.908 ( -1.078 3.223 9.109) 9.723 3.971 ( 2.501 0.656 -3.274) 4.172 4.140 ( 4.965 -4.008 5.104) 8.171 4.517 ( -6.089 1.751 -11.049) 12.737 4.767 ( -3.428 -1.166 -4.685) 5.921 4.862 ( -2.501 -2.129 0.558) 3.332 5.109 ( -2.666 -2.435 3.160) 4.798 5.209 ( 0.272 -0.020 -2.183) 2.200 5.274 ( 1.434 0.874 2.658) 3.144 5.330 ( -1.985 0.209 0.380) 2.032 5.404 ( 1.722 -0.529 -0.251) 1.819 5.629 ( -3.352 -0.018 0.085) 3.354 5.681 ( -2.686 1.861 -0.025) 3.268 5.748 ( 0.958 1.762 -1.764) 2.671 5.772 ( 3.761 0.519 -0.939) 3.911 5.926 ( -0.827 3.717 -0.696) 3.871 5.981 ( 2.022 3.747 -1.234) 4.433 6.044 ( -2.595 4.128 -0.676) 4.923 6.185 ( 2.279 1.015 1.168) 2.755 6.692 ( 0.838 0.327 -2.244) 2.418 6.722 ( -0.362 0.169 2.571) 2.602 6.866 ( -1.080 -2.200 1.263) 2.757 6.915 ( 1.363 -3.548 0.268) 3.811 ======================= Grid point 320 (158/170) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 12.482 8.083 -12.300) 19.298 2.204 ( 7.647 7.840 -14.276) 17.993 2.325 ( 4.769 7.578 5.064) 10.286 2.529 ( -5.880 0.368 2.499) 6.400 2.608 ( 5.002 5.731 2.346) 7.960 2.827 ( -9.825 -5.686 0.984) 11.394 2.983 ( 4.895 0.766 -5.308) 7.261 3.108 ( 3.998 2.053 -5.310) 6.957 3.258 ( 2.968 -5.833 2.509) 7.009 3.344 ( -2.081 1.085 5.352) 5.844 3.446 ( -2.396 -6.380 6.095) 9.143 3.636 ( -0.880 -4.204 0.308) 4.307 3.788 ( 4.390 -1.215 -5.276) 6.970 3.959 ( 0.780 -1.437 1.392) 2.147 4.029 ( 2.784 9.384 3.809) 10.503 4.269 ( 3.353 1.214 4.853) 6.022 4.310 ( -5.027 3.267 -10.134) 11.774 4.576 ( -8.903 -0.735 -6.059) 10.794 4.840 ( -2.050 -3.079 -0.134) 3.702 4.986 ( -7.983 -1.033 -1.961) 8.285 5.162 ( -1.229 -0.393 -4.932) 5.098 5.288 ( -2.657 -1.446 -0.810) 3.132 5.388 ( 4.061 1.026 5.222) 6.694 5.432 ( 0.789 0.178 1.186) 1.435 5.580 ( -1.818 -0.848 0.223) 2.018 5.622 ( -2.252 -0.294 -1.694) 2.833 5.750 ( 0.918 2.799 -0.718) 3.032 5.822 ( 2.691 0.395 -1.875) 3.304 5.902 ( -0.790 3.555 -1.708) 4.022 5.959 ( -2.066 2.921 -0.711) 3.648 6.068 ( 3.501 4.144 1.047) 5.525 6.222 ( 0.683 0.676 0.761) 1.225 6.693 ( 1.326 0.384 -2.156) 2.561 6.729 ( -1.166 0.340 2.197) 2.510 6.873 ( 0.145 -2.177 2.186) 3.089 6.939 ( 0.814 -3.965 0.396) 4.067 ======================= Grid point 321 (159/170) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 13.787 3.970 -10.475) 17.764 2.230 ( 9.699 2.686 -14.134) 17.351 2.312 ( -10.697 -0.758 -0.475) 10.734 2.461 ( 1.008 4.722 5.247) 7.130 2.617 ( -10.223 -0.299 9.270) 13.803 2.738 ( 0.178 3.709 -3.142) 4.864 3.080 ( 8.294 -2.272 -4.427) 9.672 3.184 ( 3.095 -1.095 2.728) 4.269 3.337 ( -0.961 -6.975 1.752) 7.255 3.388 ( 5.329 0.170 5.487) 7.651 3.434 ( -3.099 -4.838 4.183) 7.107 3.610 ( 0.432 -1.891 -3.761) 4.231 3.869 ( 7.019 1.460 -1.749) 7.380 3.969 ( 0.747 0.177 -1.016) 1.274 4.068 ( 0.674 6.874 -7.333) 10.074 4.196 ( -4.552 7.200 4.927) 9.841 4.302 ( -0.977 4.782 -5.494) 7.349 4.397 ( -6.206 3.893 5.199) 8.983 4.786 ( -1.825 -3.883 -2.695) 5.067 4.826 ( -5.975 -1.396 -1.751) 6.381 5.111 ( 0.095 -0.881 -3.028) 3.155 5.206 ( -4.001 -1.792 -2.373) 4.985 5.453 ( 0.104 1.015 1.863) 2.124 5.471 ( 1.140 1.689 0.751) 2.171 5.569 ( -0.402 -2.887 2.405) 3.778 5.590 ( 0.473 -2.002 -1.708) 2.674 5.769 ( 1.194 2.643 0.028) 2.901 5.829 ( -0.424 0.808 -1.962) 2.164 5.881 ( 1.626 3.215 -2.929) 4.643 5.926 ( -2.279 2.527 2.168) 4.035 6.145 ( 3.440 2.446 0.555) 4.257 6.226 ( -0.797 0.831 0.492) 1.252 6.701 ( 1.550 0.532 -2.232) 2.769 6.722 ( -1.527 0.614 2.179) 2.731 6.903 ( 0.822 -2.689 2.117) 3.520 6.948 ( -0.015 -3.869 -0.203) 3.875 ======================= Grid point 322 (160/170) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 11.236 1.308 -5.617) 12.630 2.121 ( -11.236 1.308 5.617) 12.630 2.358 ( 14.045 -0.802 -11.319) 18.056 2.358 ( -14.045 -0.802 11.319) 18.056 2.662 ( -1.855 5.257 -7.482) 9.331 2.662 ( 1.855 5.257 7.482) 9.331 3.184 ( 6.595 -3.321 -7.311) 10.391 3.184 ( -6.595 -3.321 7.311) 10.391 3.368 ( 4.744 -8.331 -3.395) 10.170 3.368 ( -4.744 -8.331 3.395) 10.170 3.554 ( -3.286 0.610 -5.455) 6.398 3.554 ( 3.286 0.610 5.455) 6.398 3.974 ( -1.913 1.829 -2.071) 3.361 3.974 ( 1.913 1.829 2.071) 3.361 4.060 ( 8.592 6.245 -6.957) 12.698 4.060 ( -8.592 6.245 6.957) 12.698 4.334 ( 3.395 8.576 -7.045) 11.606 4.334 ( -3.395 8.576 7.045) 11.606 4.756 ( 1.113 -3.325 -2.401) 4.250 4.756 ( -1.113 -3.325 2.401) 4.250 5.125 ( -0.995 -1.544 -1.735) 2.527 5.125 ( 0.995 -1.544 1.735) 2.527 5.469 ( -0.015 1.436 -1.448) 2.040 5.469 ( 0.015 1.436 1.448) 2.040 5.587 ( 0.641 -3.087 -2.441) 3.988 5.587 ( -0.641 -3.087 2.441) 3.988 5.795 ( -1.065 2.009 -1.096) 2.524 5.795 ( 1.065 2.009 1.096) 2.524 5.901 ( 2.564 2.406 -3.030) 4.641 5.901 ( -2.564 2.406 3.030) 4.641 6.201 ( -1.873 1.367 -0.120) 2.322 6.201 ( 1.873 1.367 0.120) 2.322 6.712 ( 1.688 0.671 -2.600) 3.172 6.712 ( -1.688 0.671 2.600) 3.172 6.935 ( -0.425 -3.352 -1.556) 3.720 6.935 ( 0.425 -3.352 1.556) 3.720 ======================= Grid point 327 (161/170) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( -5.706 15.177 -8.284) 18.208 2.167 ( 5.706 15.177 8.284) 18.208 2.432 ( 2.380 11.238 -9.067) 14.634 2.432 ( -2.380 11.238 9.067) 14.634 2.856 ( -3.303 -7.841 -7.855) 11.579 2.856 ( 3.303 -7.841 7.855) 11.579 2.936 ( -7.729 -3.461 -2.272) 8.768 2.936 ( 7.729 -3.461 2.272) 8.768 3.291 ( -0.889 -3.080 -5.974) 6.780 3.291 ( 0.889 -3.080 5.974) 6.780 3.398 ( 3.612 -3.778 -3.171) 6.113 3.398 ( -3.612 -3.778 3.171) 6.113 3.916 ( -2.213 -1.705 -6.282) 6.875 3.916 ( 2.213 -1.705 6.282) 6.875 3.966 ( 5.124 3.556 -6.589) 9.073 3.966 ( -5.124 3.556 6.589) 9.073 4.737 ( -2.010 3.151 -10.485) 11.131 4.737 ( 2.010 3.151 10.485) 11.131 4.937 ( -2.284 -4.898 -11.487) 12.695 4.937 ( 2.284 -4.898 11.487) 12.695 5.250 ( -0.141 0.024 -2.279) 2.283 5.250 ( 0.141 0.024 2.279) 2.283 5.359 ( -1.072 -0.547 -0.386) 1.264 5.359 ( 1.072 -0.547 0.386) 1.264 5.714 ( -0.527 1.092 -3.312) 3.527 5.714 ( 0.527 1.092 3.312) 3.527 5.752 ( 0.166 0.284 -3.288) 3.304 5.752 ( -0.166 0.284 3.288) 3.304 6.030 ( -0.888 3.572 -0.494) 3.714 6.030 ( 0.888 3.572 0.494) 3.714 6.159 ( -1.935 1.848 -0.937) 2.835 6.159 ( 1.935 1.848 0.937) 2.835 6.713 ( 1.003 0.906 -3.262) 3.531 6.713 ( -1.003 0.906 3.262) 3.531 6.828 ( 0.892 -3.046 -2.194) 3.858 6.828 ( -0.892 -3.046 2.194) 3.858 ======================= Grid point 329 (162/170) ======================= q-point: ( 0.12 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 0.710 16.807 -9.856) 19.497 2.342 ( 5.120 9.976 4.575) 12.110 2.414 ( 4.560 10.028 -12.111) 16.372 2.527 ( 4.511 9.272 8.143) 13.138 2.719 ( -3.496 -8.388 -8.829) 12.670 2.766 ( -7.052 -3.998 -1.267) 8.205 2.974 ( 2.426 -4.916 5.222) 7.572 3.091 ( 6.446 -2.156 1.384) 6.936 3.166 ( -4.448 0.275 -5.692) 7.229 3.305 ( -2.906 -5.708 4.024) 7.565 3.366 ( -2.956 -1.085 5.052) 5.953 3.488 ( 4.648 -5.286 0.897) 7.096 3.819 ( -0.804 0.923 -6.661) 6.773 3.908 ( -0.437 -2.387 -0.260) 2.441 4.059 ( 1.903 4.469 10.797) 11.839 4.095 ( 8.687 0.696 1.194) 8.797 4.570 ( -3.854 3.898 -13.061) 14.165 4.749 ( -5.285 -2.215 -9.353) 10.969 4.835 ( -0.555 0.820 4.168) 4.284 5.031 ( -2.196 -5.621 5.576) 8.216 5.210 ( -0.876 0.370 -2.880) 3.033 5.261 ( -0.715 -1.888 0.363) 2.052 5.348 ( 0.543 1.548 1.248) 2.061 5.394 ( 1.647 -0.638 1.048) 2.053 5.642 ( -3.204 1.188 -1.255) 3.640 5.687 ( -2.958 -0.678 -2.290) 3.801 5.776 ( 2.139 0.764 0.460) 2.317 5.783 ( 1.016 0.774 0.718) 1.466 6.004 ( -1.027 3.821 -1.036) 4.090 6.042 ( 0.162 2.164 -1.554) 2.669 6.126 ( -0.541 4.163 0.353) 4.213 6.202 ( 1.588 0.402 0.908) 1.873 6.705 ( 0.748 1.189 -1.844) 2.318 6.729 ( -0.526 0.539 2.786) 2.886 6.820 ( -0.190 -2.435 0.234) 2.453 6.844 ( 0.716 -3.581 0.510) 3.688 ======================= Grid point 330 (163/170) ======================= q-point: ( 0.25 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 6.690 13.980 -10.269) 18.591 2.351 ( 3.030 7.059 -15.248) 17.073 2.443 ( 0.108 2.396 -1.502) 2.830 2.551 ( -3.809 3.807 -1.513) 5.594 2.617 ( -2.883 -10.542 0.060) 10.929 2.753 ( 4.216 3.263 3.914) 6.613 3.027 ( -0.049 1.135 1.241) 1.682 3.093 ( 0.286 -0.503 -0.573) 0.814 3.205 ( 4.244 -1.670 1.609) 4.836 3.278 ( -5.027 -7.562 6.991) 11.460 3.381 ( 0.668 2.280 4.101) 4.739 3.567 ( 2.428 -3.995 0.218) 4.680 3.790 ( 3.285 1.443 -2.903) 4.615 3.918 ( 1.737 -3.513 -0.675) 3.977 4.197 ( 3.371 7.148 7.941) 11.204 4.277 ( 8.044 0.346 2.935) 8.569 4.382 ( -3.028 4.346 -12.973) 14.013 4.546 ( -6.821 -2.379 -9.063) 11.589 4.825 ( -3.184 1.325 1.303) 3.687 4.954 ( -6.832 -2.658 -0.697) 7.363 5.154 ( -1.499 -0.186 -4.499) 4.745 5.228 ( -2.474 -3.953 -1.154) 4.804 5.412 ( 2.809 1.308 4.154) 5.183 5.436 ( 1.209 0.096 1.963) 2.307 5.577 ( -2.373 0.431 -1.243) 2.714 5.609 ( -2.699 -0.924 -2.501) 3.794 5.794 ( 0.244 1.531 0.872) 1.778 5.818 ( 1.594 -0.460 -0.560) 1.751 5.973 ( -1.030 3.411 -1.555) 3.887 6.006 ( -1.790 1.830 -1.332) 2.886 6.151 ( 1.847 4.064 1.052) 4.586 6.232 ( 0.635 0.006 0.815) 1.033 6.709 ( 1.198 1.287 -1.674) 2.427 6.739 ( -1.053 0.694 2.823) 3.092 6.827 ( 0.551 -2.384 0.611) 2.522 6.862 ( 0.603 -3.810 0.575) 3.900 ======================= Grid point 331 (164/170) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 7.423 7.406 -9.258) 13.987 2.287 ( -6.988 -1.617 -4.683) 8.566 2.303 ( 5.461 3.989 -12.057) 13.824 2.493 ( -7.794 -2.762 3.935) 9.157 2.659 ( 4.677 5.929 4.879) 8.991 2.832 ( 1.009 4.643 0.041) 4.751 3.044 ( 2.325 -1.265 -0.672) 2.730 3.122 ( 2.854 -3.718 -0.328) 4.698 3.201 ( -6.138 -5.859 5.224) 9.964 3.266 ( -3.397 -8.517 3.282) 9.739 3.478 ( 5.470 4.525 2.446) 7.509 3.585 ( 0.853 -1.208 -1.264) 1.945 3.891 ( 6.197 1.023 2.279) 6.682 3.962 ( 2.880 -1.120 1.266) 3.339 4.197 ( -0.782 6.142 -12.377) 13.840 4.320 ( -6.370 3.273 -2.004) 7.437 4.378 ( 3.544 3.672 1.067) 5.214 4.443 ( 4.997 1.630 3.727) 6.443 4.753 ( -4.245 0.406 -0.713) 4.323 4.804 ( -6.678 -0.958 -2.272) 7.119 5.095 ( -0.601 -0.655 -3.280) 3.398 5.154 ( -3.325 -3.382 -2.116) 5.193 5.465 ( 0.589 0.388 0.949) 1.182 5.495 ( 1.842 0.179 3.051) 3.569 5.525 ( -2.134 -0.902 -0.761) 2.438 5.558 ( -0.693 -1.311 -1.363) 2.014 5.805 ( 0.131 1.070 0.719) 1.296 5.827 ( 0.256 -0.619 -1.224) 1.396 5.947 ( 0.305 3.113 -2.013) 3.720 5.970 ( -1.840 1.904 1.035) 2.842 6.196 ( 1.893 2.562 0.588) 3.239 6.240 ( -0.378 0.399 0.617) 0.826 6.719 ( 1.480 1.388 -1.753) 2.681 6.739 ( -1.380 1.157 2.468) 3.056 6.848 ( 0.874 -2.861 0.707) 3.073 6.873 ( 0.094 -3.742 0.196) 3.749 ======================= Grid point 332 (165/170) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 6.494 0.882 -2.810) 7.130 2.142 ( -6.494 0.882 2.810) 7.130 2.373 ( 9.690 1.820 -7.992) 12.692 2.373 ( -9.690 1.820 7.992) 12.692 2.785 ( -1.428 7.272 -5.801) 9.411 2.785 ( 1.428 7.272 5.801) 9.411 3.110 ( 5.276 -4.187 -4.610) 8.162 3.110 ( -5.276 -4.187 4.610) 8.162 3.200 ( 1.284 -8.453 -3.496) 9.237 3.200 ( -1.284 -8.453 3.496) 9.237 3.570 ( -1.572 0.823 -2.270) 2.881 3.570 ( 1.572 0.823 2.270) 2.881 4.005 ( -2.336 1.464 -1.499) 3.138 4.005 ( 2.336 1.464 1.499) 3.138 4.154 ( 5.704 3.140 -4.020) 7.653 4.154 ( -5.704 3.140 4.020) 7.653 4.492 ( 1.587 7.034 -4.394) 8.444 4.492 ( -1.587 7.034 4.394) 8.444 4.703 ( -0.013 -1.943 -1.657) 2.554 4.703 ( 0.013 -1.943 1.657) 2.554 5.090 ( 0.238 -1.928 -1.859) 2.689 5.090 ( -0.238 -1.928 1.859) 2.689 5.484 ( -0.376 0.016 -1.399) 1.449 5.484 ( 0.376 0.016 1.399) 1.449 5.539 ( -0.420 -1.542 -1.698) 2.332 5.539 ( 0.420 -1.542 1.698) 2.332 5.815 ( -0.097 0.192 -1.065) 1.087 5.815 ( 0.097 0.192 1.065) 1.087 5.950 ( 1.613 2.404 -1.877) 3.450 5.950 ( -1.613 2.404 1.877) 3.450 6.228 ( -1.077 1.257 0.011) 1.655 6.228 ( 1.077 1.257 -0.011) 1.655 6.731 ( 1.531 1.401 -2.090) 2.945 6.731 ( -1.531 1.401 2.090) 2.945 6.868 ( 0.426 -3.389 -1.544) 3.748 6.868 ( -0.426 -3.389 1.544) 3.748 ======================= Grid point 337 (166/170) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( -0.000 -0.000 -0.000) 0.000 2.392 ( 0.000 0.000 0.000) 0.000 2.495 ( 0.000 -0.000 0.000) 0.000 2.495 ( 0.000 0.000 0.000) 0.000 2.820 ( -0.000 -0.000 -0.000) 0.000 2.820 ( 0.000 -0.000 0.000) 0.000 2.836 ( -0.000 -0.000 0.000) 0.000 2.836 ( 0.000 0.000 0.000) 0.000 3.280 ( 0.000 0.000 0.000) 0.000 3.280 ( -0.000 0.000 0.000) 0.000 3.334 ( -0.000 0.000 0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.902 ( 0.000 0.000 0.000) 0.000 3.902 ( 0.000 0.000 0.000) 0.000 4.005 ( -0.000 0.000 0.000) 0.000 4.005 ( -0.000 0.000 0.000) 0.000 4.819 ( 0.000 -0.000 -0.000) 0.000 4.819 ( 0.000 -0.000 0.000) 0.000 4.835 ( -0.000 -0.000 0.000) 0.000 4.835 ( -0.000 0.000 0.000) 0.000 5.250 ( -0.000 -0.000 0.000) 0.000 5.250 ( 0.000 0.000 0.000) 0.000 5.353 ( -0.000 0.000 0.000) 0.000 5.353 ( 0.000 0.000 0.000) 0.000 5.730 ( -0.000 -0.000 -0.000) 0.000 5.730 ( -0.000 0.000 -0.000) 0.000 5.748 ( 0.000 -0.000 0.000) 0.000 5.748 ( 0.000 0.000 0.000) 0.000 6.067 ( -0.000 0.000 0.000) 0.000 6.067 ( -0.000 0.000 0.000) 0.000 6.178 ( 0.000 0.000 0.000) 0.000 6.178 ( -0.000 0.000 0.000) 0.000 6.729 ( 0.000 -0.000 -0.000) 0.000 6.729 ( 0.000 0.000 0.000) 0.000 6.790 ( -0.000 0.000 0.000) 0.000 6.790 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 341 (167/170) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 0.509 -14.497 -6.958) 16.089 2.351 ( 0.509 14.497 -6.958) 16.089 2.526 ( 1.709 -1.665 -1.774) 2.973 2.526 ( 1.709 1.665 -1.774) 2.973 2.702 ( -2.770 -3.922 -4.562) 6.623 2.702 ( -2.770 3.922 -4.562) 6.623 2.982 ( 4.231 -6.837 7.987) 11.333 2.982 ( 4.231 6.837 7.987) 11.333 3.217 ( -3.744 -4.143 -0.096) 5.585 3.217 ( -3.744 4.143 -0.096) 5.585 3.391 ( 3.410 -4.284 0.876) 5.546 3.391 ( 3.410 4.284 0.876) 5.546 3.853 ( -1.476 -2.512 -2.292) 3.707 3.853 ( -1.476 2.512 -2.292) 3.707 4.109 ( 5.550 -0.823 5.525) 7.875 4.109 ( 5.550 0.823 5.525) 7.875 4.664 ( -3.425 -5.549 -13.311) 14.823 4.664 ( -3.425 5.549 -13.311) 14.823 4.912 ( -1.744 -6.121 6.863) 9.360 4.912 ( -1.744 6.121 6.863) 9.360 5.227 ( -1.317 -1.416 -2.110) 2.862 5.227 ( -1.317 1.416 -2.110) 2.862 5.376 ( 1.466 -1.256 1.762) 2.614 5.376 ( 1.466 1.256 1.762) 2.614 5.667 ( -2.989 -1.326 -2.433) 4.076 5.667 ( -2.989 1.326 -2.433) 4.076 5.787 ( 1.140 -0.349 1.329) 1.785 5.787 ( 1.140 0.349 1.329) 1.785 6.053 ( -0.852 -1.059 -1.299) 1.880 6.053 ( -0.852 1.059 -1.299) 1.880 6.188 ( 0.737 -2.057 0.593) 2.264 6.188 ( 0.737 2.057 0.593) 2.264 6.731 ( 0.073 -0.936 0.317) 0.991 6.731 ( 0.073 0.936 0.317) 0.991 6.795 ( 0.321 -0.800 0.514) 1.003 6.795 ( 0.321 0.800 0.514) 1.003 ======================= Grid point 343 (168/170) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 1.497 -14.561 -9.747) 17.586 2.302 ( 1.497 14.561 -9.747) 17.586 2.463 ( -1.884 -4.772 -8.323) 9.777 2.463 ( -1.884 4.772 -8.323) 9.777 2.697 ( 2.158 -8.106 3.559) 9.112 2.697 ( 2.158 8.106 3.559) 9.112 3.094 ( 0.647 -6.767 4.739) 8.286 3.094 ( 0.647 6.767 4.739) 8.286 3.164 ( -3.021 -4.590 2.487) 6.032 3.164 ( -3.021 4.590 2.487) 6.032 3.474 ( 4.135 -5.741 1.462) 7.224 3.474 ( 4.135 5.741 1.462) 7.224 3.840 ( 1.830 -3.796 -0.252) 4.221 3.840 ( 1.830 3.796 -0.252) 4.221 4.276 ( 6.568 -1.372 5.300) 8.550 4.276 ( 6.568 1.372 5.300) 8.550 4.476 ( -3.850 -4.942 -12.972) 14.406 4.476 ( -3.850 4.942 -12.972) 14.406 4.883 ( -4.902 -4.213 1.786) 6.706 4.883 ( -4.902 4.213 1.786) 6.706 5.168 ( -2.130 -1.912 -3.244) 4.326 5.168 ( -2.130 1.912 -3.244) 4.326 5.431 ( 1.798 -0.617 2.887) 3.457 5.431 ( 1.798 0.617 2.887) 3.457 5.591 ( -2.615 -0.891 -2.315) 3.604 5.591 ( -2.615 0.891 -2.315) 3.604 5.810 ( 0.380 -0.390 0.831) 0.994 5.810 ( 0.380 0.390 0.831) 0.994 6.017 ( -1.430 -0.948 -1.519) 2.292 6.017 ( -1.430 0.948 -1.519) 2.292 6.212 ( 0.941 -2.161 0.863) 2.510 6.212 ( 0.941 2.161 0.863) 2.510 6.738 ( 0.230 -1.331 0.562) 1.462 6.738 ( 0.230 1.331 0.562) 1.462 6.809 ( 0.481 -1.261 0.578) 1.468 6.809 ( 0.481 1.261 0.578) 1.468 ======================= Grid point 345 (169/170) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -1.346 -6.034 -8.906) 10.842 2.211 ( -1.346 6.034 -8.906) 10.842 2.400 ( 0.694 -5.644 -3.273) 6.561 2.400 ( 0.694 5.644 -3.273) 6.561 2.802 ( 5.011 -7.349 3.140) 9.433 2.802 ( 5.011 7.349 3.140) 9.433 3.090 ( -3.523 -5.915 2.227) 7.236 3.090 ( -3.523 5.915 2.227) 7.236 3.130 ( -2.605 -3.064 1.229) 4.205 3.130 ( -2.605 3.064 1.229) 4.205 3.551 ( 2.459 -2.739 0.909) 3.791 3.551 ( 2.459 2.739 0.909) 3.791 3.924 ( 5.046 -2.376 3.194) 6.427 3.924 ( 5.046 2.376 3.194) 6.427 4.294 ( -4.022 -3.877 -9.886) 11.355 4.294 ( -4.022 3.877 -9.886) 11.355 4.448 ( 6.975 -1.879 3.459) 8.009 4.448 ( 6.975 1.879 3.459) 8.009 4.780 ( -6.049 -1.720 -0.612) 6.319 4.780 ( -6.049 1.720 -0.612) 6.319 5.100 ( -1.868 -1.644 -2.727) 3.691 5.100 ( -1.868 1.644 -2.727) 3.691 5.477 ( 0.554 -1.004 1.315) 1.745 5.477 ( 0.554 1.004 1.315) 1.745 5.536 ( -1.224 -1.086 -0.894) 1.865 5.536 ( -1.224 1.086 -0.894) 1.865 5.816 ( -0.152 -0.398 0.214) 0.476 5.816 ( -0.152 0.398 0.214) 0.476 5.985 ( -0.741 -0.636 -0.624) 1.159 5.985 ( -0.741 0.636 -0.624) 1.159 6.234 ( 0.519 -1.201 0.627) 1.450 6.234 ( 0.519 1.201 0.627) 1.450 6.748 ( 0.238 -0.994 0.473) 1.126 6.748 ( 0.238 0.994 0.473) 1.126 6.821 ( 0.354 -1.013 0.305) 1.116 6.821 ( 0.354 1.013 0.305) 1.116 ======================= Grid point 347 (170/170) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -0.000 0.000 -0.000) 0.000 2.151 ( -0.000 0.000 0.000) 0.000 2.397 ( -0.000 0.000 0.000) 0.000 2.397 ( -0.000 0.000 0.000) 0.000 2.892 ( -0.000 -0.000 -0.000) 0.000 2.892 ( -0.000 0.000 0.000) 0.000 3.038 ( -0.000 -0.000 0.000) 0.000 3.038 ( -0.000 0.000 0.000) 0.000 3.109 ( -0.000 0.000 0.000) 0.000 3.109 ( -0.000 0.000 0.000) 0.000 3.579 ( -0.000 0.000 0.000) 0.000 3.579 ( -0.000 0.000 0.000) 0.000 4.021 ( -0.000 0.000 0.000) 0.000 4.021 ( 0.000 0.000 0.000) 0.000 4.181 ( -0.000 0.000 -0.000) 0.000 4.181 ( -0.000 0.000 0.000) 0.000 4.567 ( 0.000 0.000 -0.000) 0.000 4.567 ( 0.000 0.000 0.000) 0.000 4.684 ( -0.000 0.000 0.000) 0.000 4.684 ( -0.000 0.000 0.000) 0.000 5.067 ( -0.000 0.000 0.000) 0.000 5.067 ( -0.000 0.000 0.000) 0.000 5.479 ( -0.000 -0.000 -0.000) 0.000 5.479 ( -0.000 0.000 0.000) 0.000 5.528 ( -0.000 0.000 0.000) 0.000 5.528 ( -0.000 0.000 0.000) 0.000 5.815 ( -0.000 0.000 0.000) 0.000 5.815 ( -0.000 0.000 0.000) 0.000 5.976 ( -0.000 0.000 0.000) 0.000 5.976 ( -0.000 0.000 0.000) 0.000 6.241 ( -0.000 0.000 0.000) 0.000 6.241 ( -0.000 0.000 0.000) 0.000 6.753 ( -0.000 0.000 -0.000) 0.000 6.753 ( -0.000 0.000 0.000) 0.000 6.826 ( -0.000 0.000 -0.000) 0.000 6.826 ( -0.000 0.000 0.000) 0.000 =================== 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 3/18432 10.0 5404.053 6784.951 5410.528 0.000 118.156 0.000 3/18432 20.0 1523.118 1805.640 1526.620 0.000 -247.780 0.000 3/18432 30.0 569.238 710.544 583.594 0.000 -97.048 0.000 3/18432 40.0 284.085 360.931 292.367 0.000 -45.161 0.000 3/18432 50.0 173.532 220.707 178.738 0.000 -25.642 0.000 3/18432 60.0 120.964 153.320 124.735 0.000 -16.804 0.000 3/18432 70.0 91.899 116.005 94.917 0.000 -12.135 0.000 3/18432 80.0 73.950 92.999 76.511 0.000 -9.369 0.000 3/18432 90.0 61.917 77.622 64.170 0.000 -7.584 0.000 3/18432 100.0 53.336 66.690 55.362 0.000 -6.354 0.000 3/18432 110.0 46.921 58.542 48.768 0.000 -5.464 0.000 3/18432 120.0 41.943 52.239 43.645 0.000 -4.793 0.000 3/18432 130.0 37.965 47.215 39.545 0.000 -4.271 0.000 3/18432 140.0 34.711 43.115 36.187 0.000 -3.853 0.000 3/18432 150.0 31.995 39.701 33.381 0.000 -3.512 0.000 3/18432 160.0 29.693 36.812 30.999 0.000 -3.228 0.000 3/18432 170.0 27.714 34.333 28.950 0.000 -2.988 0.000 3/18432 180.0 25.994 32.181 27.166 0.000 -2.783 0.000 3/18432 190.0 24.483 30.294 25.599 0.000 -2.605 0.000 3/18432 200.0 23.145 28.625 24.209 0.000 -2.449 0.000 3/18432 210.0 21.951 27.137 22.968 0.000 -2.312 0.000 3/18432 220.0 20.878 25.801 21.852 0.000 -2.190 0.000 3/18432 230.0 19.909 24.595 20.843 0.000 -2.080 0.000 3/18432 240.0 19.029 23.500 19.926 0.000 -1.981 0.000 3/18432 250.0 18.225 22.502 19.089 0.000 -1.892 0.000 3/18432 260.0 17.488 21.587 18.321 0.000 -1.811 0.000 3/18432 270.0 16.810 20.746 17.614 0.000 -1.736 0.000 3/18432 280.0 16.184 19.969 16.961 0.000 -1.668 0.000 3/18432 290.0 15.604 19.250 16.355 0.000 -1.605 0.000 3/18432 300.0 15.065 18.583 15.793 0.000 -1.546 0.000 3/18432 310.0 14.563 17.961 15.268 0.000 -1.492 0.000 3/18432 320.0 14.094 17.380 14.778 0.000 -1.442 0.000 3/18432 330.0 13.654 16.836 14.319 0.000 -1.395 0.000 3/18432 340.0 13.242 16.326 13.888 0.000 -1.351 0.000 3/18432 350.0 12.854 15.846 13.483 0.000 -1.310 0.000 3/18432 360.0 12.489 15.395 13.101 0.000 -1.271 0.000 3/18432 370.0 12.144 14.968 12.740 0.000 -1.235 0.000 3/18432 380.0 11.818 14.565 12.399 0.000 -1.201 0.000 3/18432 390.0 11.510 14.184 12.076 0.000 -1.168 0.000 3/18432 400.0 11.217 13.822 11.770 0.000 -1.137 0.000 3/18432 410.0 10.939 13.479 11.479 0.000 -1.108 0.000 3/18432 420.0 10.674 13.152 11.202 0.000 -1.081 0.000 3/18432 430.0 10.423 12.841 10.938 0.000 -1.054 0.000 3/18432 440.0 10.183 12.545 10.687 0.000 -1.030 0.000 3/18432 450.0 9.953 12.262 10.447 0.000 -1.006 0.000 3/18432 460.0 9.735 11.991 10.218 0.000 -0.983 0.000 3/18432 470.0 9.525 11.733 9.998 0.000 -0.961 0.000 3/18432 480.0 9.325 11.485 9.788 0.000 -0.941 0.000 3/18432 490.0 9.132 11.248 9.587 0.000 -0.921 0.000 3/18432 500.0 8.948 11.021 9.394 0.000 -0.902 0.000 3/18432 510.0 8.771 10.803 9.208 0.000 -0.883 0.000 3/18432 520.0 8.601 10.593 9.030 0.000 -0.866 0.000 3/18432 530.0 8.437 10.391 8.859 0.000 -0.849 0.000 3/18432 540.0 8.280 10.197 8.694 0.000 -0.833 0.000 3/18432 550.0 8.128 10.010 8.535 0.000 -0.817 0.000 3/18432 560.0 7.982 9.830 8.382 0.000 -0.802 0.000 3/18432 570.0 7.841 9.656 8.234 0.000 -0.788 0.000 3/18432 580.0 7.706 9.488 8.091 0.000 -0.774 0.000 3/18432 590.0 7.574 9.326 7.954 0.000 -0.761 0.000 3/18432 600.0 7.447 9.170 7.821 0.000 -0.748 0.000 3/18432 610.0 7.325 9.019 7.692 0.000 -0.735 0.000 3/18432 620.0 7.206 8.872 7.567 0.000 -0.723 0.000 3/18432 630.0 7.091 8.731 7.447 0.000 -0.711 0.000 3/18432 640.0 6.980 8.594 7.330 0.000 -0.700 0.000 3/18432 650.0 6.872 8.461 7.217 0.000 -0.689 0.000 3/18432 660.0 6.768 8.332 7.108 0.000 -0.678 0.000 3/18432 670.0 6.666 8.207 7.001 0.000 -0.668 0.000 3/18432 680.0 6.568 8.086 6.898 0.000 -0.658 0.000 3/18432 690.0 6.472 7.968 6.798 0.000 -0.648 0.000 3/18432 700.0 6.380 7.854 6.701 0.000 -0.639 0.000 3/18432 710.0 6.290 7.743 6.606 0.000 -0.630 0.000 3/18432 720.0 6.202 7.635 6.514 0.000 -0.621 0.000 3/18432 730.0 6.117 7.530 6.425 0.000 -0.612 0.000 3/18432 740.0 6.034 7.428 6.338 0.000 -0.604 0.000 3/18432 750.0 5.953 7.329 6.253 0.000 -0.596 0.000 3/18432 760.0 5.875 7.232 6.171 0.000 -0.588 0.000 3/18432 770.0 5.798 7.138 6.091 0.000 -0.580 0.000 3/18432 780.0 5.724 7.046 6.013 0.000 -0.573 0.000 3/18432 790.0 5.651 6.957 5.937 0.000 -0.565 0.000 3/18432 800.0 5.581 6.870 5.862 0.000 -0.558 0.000 3/18432 810.0 5.512 6.785 5.790 0.000 -0.551 0.000 3/18432 820.0 5.444 6.702 5.719 0.000 -0.544 0.000 3/18432 830.0 5.379 6.621 5.650 0.000 -0.538 0.000 3/18432 840.0 5.315 6.542 5.583 0.000 -0.531 0.000 3/18432 850.0 5.252 6.465 5.517 0.000 -0.525 0.000 3/18432 860.0 5.191 6.389 5.453 0.000 -0.519 0.000 3/18432 870.0 5.131 6.316 5.391 0.000 -0.513 0.000 3/18432 880.0 5.073 6.244 5.329 0.000 -0.507 0.000 3/18432 890.0 5.016 6.174 5.269 0.000 -0.501 0.000 3/18432 900.0 4.960 6.105 5.211 0.000 -0.495 0.000 3/18432 910.0 4.905 6.038 5.154 0.000 -0.490 0.000 3/18432 920.0 4.852 5.972 5.098 0.000 -0.485 0.000 3/18432 930.0 4.800 5.908 5.043 0.000 -0.479 0.000 3/18432 940.0 4.749 5.845 4.989 0.000 -0.474 0.000 3/18432 950.0 4.699 5.783 4.937 0.000 -0.469 0.000 3/18432 960.0 4.650 5.723 4.885 0.000 -0.464 0.000 3/18432 970.0 4.602 5.664 4.835 0.000 -0.459 0.000 3/18432 980.0 4.555 5.606 4.786 0.000 -0.455 0.000 3/18432 990.0 4.509 5.550 4.737 0.000 -0.450 0.000 3/18432 1000.0 4.464 5.494 4.690 0.000 -0.445 0.000 3/18432 Thermal conductivity related properties were written into "kappa-m888.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:49:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|