----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:55:04]------------------------- 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: [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.621524253347514 -3.524313370000000 0.000000000000000 b 7.621524253347514 3.524313370000000 0.000000000000000 c -5.897326556250190 0.000000000000000 10.328359422026610 Atomic positions (fractional): *1 B 0.83823007548955 0.39555358349083 0.34781042932273 10.811 2 B 0.60444641650917 0.16176992451045 0.15218957067727 10.811 3 B 0.16176992451045 0.60444641650917 0.65218957067727 10.811 4 B 0.39555358349083 0.83823007548955 0.84781042932273 10.811 *5 Se 0.43760689351806 0.81796624315894 0.02440594791889 78.960 6 Se 0.18203375684106 0.56239310648194 0.47559405208111 78.960 7 Se 0.56239310648194 0.18203375684106 0.97559405208112 78.960 8 Se 0.81796624315894 0.43760689351806 0.52440594791888 78.960 *9 Se 0.61614188657434 0.84897909286330 0.82634181776060 78.960 10 Se 0.15102090713670 0.38385811342566 0.67365818223940 78.960 11 Se 0.38385811342566 0.15102090713670 0.17365818223940 78.960 12 Se 0.84897909286330 0.61614188657434 0.32634181776060 78.960 *13 Se 0.09770109858834 0.07063056088589 0.76840244681803 78.960 14 Se 0.92936943911411 0.90229890141166 0.73159755318197 78.960 15 Se 0.90229890141166 0.92936943911411 0.23159755318197 78.960 16 Se 0.07063056088589 0.09770109858834 0.26840244681803 78.960 *17 Se 0.46816587291692 0.53183412708308 0.75000000000000 78.960 18 Se 0.53183412708308 0.46816587291692 0.25000000000000 78.960 *19 Tl 0.31847475262956 0.88877929482734 0.52874769179091 204.383 20 Tl 0.11122070517266 0.68152524737044 0.97125230820909 204.383 21 Tl 0.68152524737044 0.11122070517266 0.47125230820909 204.383 22 Tl 0.88877929482734 0.31847475262956 0.02874769179091 204.383 -------------------------------- unit cell --------------------------------- Lattice vectors: a 15.243048506695029 0.000000000000000 0.000000000000000 b 0.000000000000000 7.048626740000000 0.000000000000000 c -5.897326556250190 0.000000000000000 10.328359422026610 Atomic positions (fractional): *1 B 0.11689182949019 0.27866175400064 0.34781042932273 10.811 > 1 2 B 0.88310817050981 0.27866175400064 0.15218957067727 10.811 > 2 3 B 0.88310817050981 0.72133824599936 0.65218957067727 10.811 > 3 4 B 0.11689182949019 0.72133824599936 0.84781042932273 10.811 > 4 5 B 0.61689182949019 0.77866175400064 0.34781042932273 10.811 > 1 6 B 0.38310817050981 0.77866175400064 0.15218957067727 10.811 > 2 7 B 0.38310817050981 0.22133824599936 0.65218957067727 10.811 > 3 8 B 0.61689182949019 0.22133824599936 0.84781042932273 10.811 > 4 *9 Se 0.62778656833850 0.19017967482044 0.02440594791889 78.960 > 5 10 Se 0.87221343166150 0.69017967482044 0.47559405208111 78.960 > 6 11 Se 0.37221343166150 0.80982032517956 0.97559405208112 78.960 > 7 12 Se 0.12778656833850 0.30982032517956 0.52440594791888 78.960 > 8 *13 Se 0.23256048971882 0.61641860314448 0.82634181776060 78.960 > 9 14 Se 0.26743951028118 0.11641860314448 0.67365818223940 78.960 > 10 15 Se 0.76743951028118 0.38358139685552 0.17365818223940 78.960 > 11 16 Se 0.73256048971882 0.88358139685552 0.32634181776060 78.960 > 12 *17 Se 0.08416582973711 0.98646473114877 0.76840244681803 78.960 > 13 18 Se 0.91583417026289 0.98646473114877 0.73159755318197 78.960 > 14 19 Se 0.91583417026289 0.01353526885123 0.23159755318197 78.960 > 15 20 Se 0.08416582973711 0.01353526885123 0.26840244681803 78.960 > 16 *21 Se 0.00000000000000 0.53183412708308 0.75000000000000 78.960 > 17 22 Se 0.00000000000000 0.46816587291692 0.25000000000000 78.960 > 18 23 Se 0.12778656833850 0.69017967482044 0.02440594791889 78.960 > 5 24 Se 0.37221343166150 0.19017967482044 0.47559405208111 78.960 > 6 25 Se 0.87221343166150 0.30982032517956 0.97559405208112 78.960 > 7 26 Se 0.62778656833850 0.80982032517956 0.52440594791888 78.960 > 8 27 Se 0.73256048971882 0.11641860314448 0.82634181776060 78.960 > 9 28 Se 0.76743951028118 0.61641860314448 0.67365818223940 78.960 > 10 29 Se 0.26743951028118 0.88358139685552 0.17365818223940 78.960 > 11 30 Se 0.23256048971882 0.38358139685552 0.32634181776060 78.960 > 12 31 Se 0.58416582973711 0.48646473114877 0.76840244681803 78.960 > 13 32 Se 0.41583417026289 0.48646473114877 0.73159755318197 78.960 > 14 33 Se 0.41583417026289 0.51353526885123 0.23159755318197 78.960 > 15 34 Se 0.58416582973711 0.51353526885123 0.26840244681803 78.960 > 16 35 Se 0.50000000000000 0.03183412708309 0.75000000000000 78.960 > 17 36 Se 0.50000000000000 0.96816587291692 0.25000000000000 78.960 > 18 *37 Tl 0.10362702372845 0.78515227109889 0.52874769179091 204.383 > 19 38 Tl 0.39637297627155 0.28515227109889 0.97125230820909 204.383 > 20 39 Tl 0.89637297627155 0.21484772890111 0.47125230820909 204.383 > 21 40 Tl 0.60362702372845 0.71484772890111 0.02874769179091 204.383 > 22 41 Tl 0.60362702372845 0.28515227109889 0.52874769179091 204.383 > 19 42 Tl 0.89637297627155 0.78515227109889 0.97125230820909 204.383 > 20 43 Tl 0.39637297627155 0.71484772890111 0.47125230820909 204.383 > 21 44 Tl 0.10362702372845 0.21484772890111 0.02874769179091 204.383 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.243048506695029 0.000000000000000 0.000000000000000 b 0.000000000000000 14.097253479999999 0.000000000000000 c -5.897326556250190 0.000000000000000 10.328359422026610 Atomic positions (fractional): *1 B 0.11689182949019 0.13933087700032 0.34781042932273 10.811 > 1 2 B 0.11689182949019 0.63933087700032 0.34781042932273 10.811 > 1 3 B 0.88310817050981 0.13933087700032 0.15218957067727 10.811 > 2 4 B 0.88310817050981 0.63933087700032 0.15218957067727 10.811 > 2 5 B 0.88310817050981 0.36066912299968 0.65218957067727 10.811 > 3 6 B 0.88310817050981 0.86066912299968 0.65218957067727 10.811 > 3 7 B 0.11689182949019 0.36066912299968 0.84781042932273 10.811 > 4 8 B 0.11689182949019 0.86066912299968 0.84781042932273 10.811 > 4 9 B 0.61689182949019 0.38933087700032 0.34781042932273 10.811 > 1 10 B 0.61689182949019 0.88933087700032 0.34781042932273 10.811 > 1 11 B 0.38310817050981 0.38933087700032 0.15218957067727 10.811 > 2 12 B 0.38310817050981 0.88933087700032 0.15218957067727 10.811 > 2 13 B 0.38310817050981 0.11066912299968 0.65218957067727 10.811 > 3 14 B 0.38310817050981 0.61066912299968 0.65218957067727 10.811 > 3 15 B 0.61689182949019 0.11066912299968 0.84781042932273 10.811 > 4 16 B 0.61689182949019 0.61066912299968 0.84781042932273 10.811 > 4 *17 Se 0.62778656833850 0.09508983741022 0.02440594791889 78.960 > 5 18 Se 0.62778656833850 0.59508983741022 0.02440594791889 78.960 > 5 19 Se 0.87221343166150 0.34508983741022 0.47559405208111 78.960 > 6 20 Se 0.87221343166150 0.84508983741022 0.47559405208111 78.960 > 6 21 Se 0.37221343166150 0.40491016258978 0.97559405208112 78.960 > 7 22 Se 0.37221343166150 0.90491016258978 0.97559405208112 78.960 > 7 23 Se 0.12778656833850 0.15491016258978 0.52440594791888 78.960 > 8 24 Se 0.12778656833850 0.65491016258978 0.52440594791888 78.960 > 8 *25 Se 0.23256048971882 0.30820930157224 0.82634181776060 78.960 > 9 26 Se 0.23256048971882 0.80820930157224 0.82634181776060 78.960 > 9 27 Se 0.26743951028118 0.05820930157224 0.67365818223940 78.960 > 10 28 Se 0.26743951028118 0.55820930157224 0.67365818223940 78.960 > 10 29 Se 0.76743951028118 0.19179069842776 0.17365818223940 78.960 > 11 30 Se 0.76743951028118 0.69179069842776 0.17365818223940 78.960 > 11 31 Se 0.73256048971882 0.44179069842776 0.32634181776060 78.960 > 12 32 Se 0.73256048971882 0.94179069842776 0.32634181776060 78.960 > 12 *33 Se 0.08416582973711 0.49323236557439 0.76840244681803 78.960 > 13 34 Se 0.08416582973711 0.99323236557439 0.76840244681803 78.960 > 13 35 Se 0.91583417026289 0.49323236557439 0.73159755318197 78.960 > 14 36 Se 0.91583417026289 0.99323236557439 0.73159755318197 78.960 > 14 37 Se 0.91583417026289 0.00676763442561 0.23159755318197 78.960 > 15 38 Se 0.91583417026289 0.50676763442561 0.23159755318197 78.960 > 15 39 Se 0.08416582973711 0.00676763442561 0.26840244681803 78.960 > 16 40 Se 0.08416582973711 0.50676763442561 0.26840244681803 78.960 > 16 *41 Se 0.00000000000000 0.26591706354154 0.75000000000000 78.960 > 17 42 Se 0.00000000000000 0.76591706354154 0.75000000000000 78.960 > 17 43 Se 0.00000000000000 0.23408293645846 0.25000000000000 78.960 > 18 44 Se 0.00000000000000 0.73408293645846 0.25000000000000 78.960 > 18 45 Se 0.12778656833850 0.34508983741022 0.02440594791889 78.960 > 5 46 Se 0.12778656833850 0.84508983741022 0.02440594791889 78.960 > 5 47 Se 0.37221343166150 0.09508983741022 0.47559405208111 78.960 > 6 48 Se 0.37221343166150 0.59508983741022 0.47559405208111 78.960 > 6 49 Se 0.87221343166150 0.15491016258978 0.97559405208112 78.960 > 7 50 Se 0.87221343166150 0.65491016258978 0.97559405208112 78.960 > 7 51 Se 0.62778656833850 0.40491016258978 0.52440594791888 78.960 > 8 52 Se 0.62778656833850 0.90491016258978 0.52440594791888 78.960 > 8 53 Se 0.73256048971882 0.05820930157224 0.82634181776060 78.960 > 9 54 Se 0.73256048971882 0.55820930157224 0.82634181776060 78.960 > 9 55 Se 0.76743951028118 0.30820930157224 0.67365818223940 78.960 > 10 56 Se 0.76743951028118 0.80820930157224 0.67365818223940 78.960 > 10 57 Se 0.26743951028118 0.44179069842776 0.17365818223940 78.960 > 11 58 Se 0.26743951028118 0.94179069842776 0.17365818223940 78.960 > 11 59 Se 0.23256048971882 0.19179069842776 0.32634181776060 78.960 > 12 60 Se 0.23256048971882 0.69179069842776 0.32634181776060 78.960 > 12 61 Se 0.58416582973711 0.24323236557439 0.76840244681803 78.960 > 13 62 Se 0.58416582973711 0.74323236557439 0.76840244681803 78.960 > 13 63 Se 0.41583417026289 0.24323236557439 0.73159755318197 78.960 > 14 64 Se 0.41583417026289 0.74323236557439 0.73159755318197 78.960 > 14 65 Se 0.41583417026289 0.25676763442561 0.23159755318197 78.960 > 15 66 Se 0.41583417026289 0.75676763442561 0.23159755318197 78.960 > 15 67 Se 0.58416582973711 0.25676763442561 0.26840244681803 78.960 > 16 68 Se 0.58416582973711 0.75676763442561 0.26840244681803 78.960 > 16 69 Se 0.50000000000000 0.01591706354154 0.75000000000000 78.960 > 17 70 Se 0.50000000000000 0.51591706354154 0.75000000000000 78.960 > 17 71 Se 0.50000000000000 0.48408293645846 0.25000000000000 78.960 > 18 72 Se 0.50000000000000 0.98408293645846 0.25000000000000 78.960 > 18 *73 Tl 0.10362702372845 0.39257613554945 0.52874769179091 204.383 > 19 74 Tl 0.10362702372845 0.89257613554945 0.52874769179091 204.383 > 19 75 Tl 0.39637297627155 0.14257613554945 0.97125230820909 204.383 > 20 76 Tl 0.39637297627155 0.64257613554945 0.97125230820909 204.383 > 20 77 Tl 0.89637297627155 0.10742386445055 0.47125230820909 204.383 > 21 78 Tl 0.89637297627155 0.60742386445055 0.47125230820909 204.383 > 21 79 Tl 0.60362702372845 0.35742386445055 0.02874769179091 204.383 > 22 80 Tl 0.60362702372845 0.85742386445055 0.02874769179091 204.383 > 22 81 Tl 0.60362702372845 0.14257613554945 0.52874769179091 204.383 > 19 82 Tl 0.60362702372845 0.64257613554945 0.52874769179091 204.383 > 19 83 Tl 0.89637297627155 0.39257613554945 0.97125230820909 204.383 > 20 84 Tl 0.89637297627155 0.89257613554945 0.97125230820909 204.383 > 20 85 Tl 0.39637297627155 0.35742386445055 0.47125230820909 204.383 > 21 86 Tl 0.39637297627155 0.85742386445055 0.47125230820909 204.383 > 21 87 Tl 0.10362702372845 0.10742386445055 0.02874769179091 204.383 > 22 88 Tl 0.10362702372845 0.60742386445055 0.02874769179091 204.383 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.7498759 0.0000000 1.2188356 0.0000000 7.2815271 0.0000000 1.2188423 0.0000000 9.9843830 -------------------------- Born effective charges -------------------------- 1 B 1.2250776 0.0648428 -0.1707097 -0.0481560 0.3552181 0.2303691 -0.1639786 0.2216592 1.0594413 2 B 1.2250776 -0.0648428 -0.1707097 0.0481560 0.3552181 -0.2303691 -0.1639786 -0.2216592 1.0594413 3 B 1.2250776 0.0648428 -0.1707097 -0.0481560 0.3552181 0.2303691 -0.1639786 0.2216592 1.0594413 4 B 1.2250776 -0.0648428 -0.1707097 0.0481560 0.3552181 -0.2303691 -0.1639786 -0.2216592 1.0594413 5 Se -1.0074223 0.1541326 0.7677323 0.0308300 -0.4086807 0.4249850 0.6315505 0.8290908 0.4976173 6 Se -1.0074223 -0.1541326 0.7677323 -0.0308300 -0.4086807 -0.4249850 0.6315505 -0.8290908 0.4976173 7 Se -1.0074223 0.1541326 0.7677323 0.0308300 -0.4086807 0.4249850 0.6315505 0.8290908 0.4976173 8 Se -1.0074223 -0.1541326 0.7677323 -0.0308300 -0.4086807 -0.4249850 0.6315505 -0.8290908 0.4976173 9 Se -0.8310088 0.5673804 -0.2979663 0.5104534 -1.0524926 0.3245191 -0.2514441 0.0124930 -1.4494098 10 Se -0.8310088 -0.5673804 -0.2979663 -0.5104534 -1.0524926 -0.3245191 -0.2514441 -0.0124930 -1.4494098 11 Se -0.8310088 0.5673804 -0.2979663 0.5104534 -1.0524926 0.3245191 -0.2514441 0.0124930 -1.4494098 12 Se -0.8310088 -0.5673804 -0.2979663 -0.5104534 -1.0524926 -0.3245191 -0.2514441 -0.0124930 -1.4494098 13 Se -0.5781113 -0.0688659 0.3433926 -0.0706924 -0.7359224 -0.3084830 0.4099437 -0.3813637 -1.2335206 14 Se -0.5781113 0.0688659 0.3433926 0.0706924 -0.7359224 0.3084830 0.4099437 0.3813637 -1.2335206 15 Se -0.5781113 -0.0688659 0.3433926 -0.0706924 -0.7359224 -0.3084830 0.4099437 -0.3813637 -1.2335206 16 Se -0.5781113 0.0688659 0.3433926 0.0706924 -0.7359224 0.3084830 0.4099437 0.3813637 -1.2335206 17 Se -1.1507142 0.0000000 -1.2007839 0.0000000 -0.7558404 0.0000000 -0.8806308 0.0000000 -2.7395237 18 Se -1.1507142 0.0000000 -1.2007839 0.0000000 -0.7558404 0.0000000 -0.8806308 0.0000000 -2.7395237 19 Tl 1.7668217 0.1990467 -0.0420570 0.3618677 2.2197979 0.0431101 -0.1857561 -0.1844063 2.4956336 20 Tl 1.7668217 -0.1990467 -0.0420570 -0.3618677 2.2197979 -0.0431101 -0.1857561 0.1844063 2.4956336 21 Tl 1.7668217 0.1990467 -0.0420570 0.3618677 2.2197979 0.0431101 -0.1857561 -0.1844063 2.4956336 22 Tl 1.7668217 -0.1990467 -0.0420570 -0.3618677 2.2197979 -0.0431101 -0.1857561 0.1844063 2.4956336 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 10830/10830 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2279 Number of blocks in projector: 2279 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: 488 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 277 Use standard eigh solver. Tree of FC basis block matrices: - (2279, 2230), data: False |-- (277, 271), data: True |-- (277, 271), data: True |-- (277, 271), data: True |-- (480, 470), data: True |-- (480, 470), data: True |-- (488, 477), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.683 Solver_block: 200 / 720 - Time: 0.526 Solver_block: 300 / 720 - Time: 0.524 Solver_block: 400 / 720 - Time: 0.527 Solver_block: 500 / 720 - Time: 0.527 Solver_block: 600 / 720 - Time: 0.522 Solver_block: 700 / 720 - Time: 0.526 Solver_block: 720 / 720 - Time: 0.193 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.110 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 264/264 Permutation basis: 10830/10830 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2279 Number of blocks in projector: 2279 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: 488 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 277 Use standard eigh solver. Tree of FC basis block matrices: - (2279, 2230), data: False |-- (277, 271), data: True |-- (277, 271), data: True |-- (277, 271), data: True |-- (480, 470), data: True |-- (480, 470), data: True |-- (488, 477), 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 2026-01-08 01:55:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:55:33]------------------------- 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): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.621524253347514 -3.524313370000000 0.000000000000000 b 7.621524253347514 3.524313370000000 0.000000000000000 c -5.897326556250190 0.000000000000000 10.328359422026610 Atomic positions (fractional): 1 B 0.83823007548955 0.39555358349083 0.34781042932273 10.811 2 B 0.60444641650917 0.16176992451045 0.15218957067727 10.811 3 B 0.16176992451045 0.60444641650917 0.65218957067727 10.811 4 B 0.39555358349083 0.83823007548955 0.84781042932273 10.811 5 Se 0.43760689351806 0.81796624315894 0.02440594791889 78.960 6 Se 0.18203375684106 0.56239310648194 0.47559405208111 78.960 7 Se 0.56239310648194 0.18203375684106 0.97559405208112 78.960 8 Se 0.81796624315894 0.43760689351806 0.52440594791888 78.960 9 Se 0.61614188657434 0.84897909286330 0.82634181776060 78.960 10 Se 0.15102090713670 0.38385811342566 0.67365818223940 78.960 11 Se 0.38385811342566 0.15102090713670 0.17365818223940 78.960 12 Se 0.84897909286330 0.61614188657434 0.32634181776060 78.960 13 Se 0.09770109858834 0.07063056088589 0.76840244681803 78.960 14 Se 0.92936943911411 0.90229890141166 0.73159755318197 78.960 15 Se 0.90229890141166 0.92936943911411 0.23159755318197 78.960 16 Se 0.07063056088589 0.09770109858834 0.26840244681803 78.960 17 Se 0.46816587291692 0.53183412708308 0.75000000000000 78.960 18 Se 0.53183412708308 0.46816587291692 0.25000000000000 78.960 19 Tl 0.31847475262956 0.88877929482734 0.52874769179091 204.383 20 Tl 0.11122070517266 0.68152524737044 0.97125230820909 204.383 21 Tl 0.68152524737044 0.11122070517266 0.47125230820909 204.383 22 Tl 0.88877929482734 0.31847475262956 0.02874769179091 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.243048506695029 0.000000000000000 0.000000000000000 b 0.000000000000000 14.097253479999999 0.000000000000000 c -5.897326556250190 0.000000000000000 10.328359422026610 Atomic positions (fractional): 1 B 0.11689182949019 0.13933087700032 0.34781042932273 10.811 > 1 2 B 0.11689182949019 0.63933087700032 0.34781042932273 10.811 > 1 3 B 0.88310817050981 0.13933087700032 0.15218957067727 10.811 > 3 4 B 0.88310817050981 0.63933087700032 0.15218957067727 10.811 > 3 5 B 0.88310817050981 0.36066912299968 0.65218957067727 10.811 > 5 6 B 0.88310817050981 0.86066912299968 0.65218957067727 10.811 > 5 7 B 0.11689182949019 0.36066912299968 0.84781042932273 10.811 > 7 8 B 0.11689182949019 0.86066912299968 0.84781042932273 10.811 > 7 9 B 0.61689182949019 0.38933087700032 0.34781042932273 10.811 > 1 10 B 0.61689182949019 0.88933087700032 0.34781042932273 10.811 > 1 11 B 0.38310817050981 0.38933087700032 0.15218957067727 10.811 > 3 12 B 0.38310817050981 0.88933087700032 0.15218957067727 10.811 > 3 13 B 0.38310817050981 0.11066912299968 0.65218957067727 10.811 > 5 14 B 0.38310817050981 0.61066912299968 0.65218957067727 10.811 > 5 15 B 0.61689182949019 0.11066912299968 0.84781042932273 10.811 > 7 16 B 0.61689182949019 0.61066912299968 0.84781042932273 10.811 > 7 17 Se 0.62778656833850 0.09508983741022 0.02440594791889 78.960 > 17 18 Se 0.62778656833850 0.59508983741022 0.02440594791889 78.960 > 17 19 Se 0.87221343166150 0.34508983741022 0.47559405208111 78.960 > 19 20 Se 0.87221343166150 0.84508983741022 0.47559405208111 78.960 > 19 21 Se 0.37221343166150 0.40491016258978 0.97559405208112 78.960 > 21 22 Se 0.37221343166150 0.90491016258978 0.97559405208112 78.960 > 21 23 Se 0.12778656833850 0.15491016258978 0.52440594791888 78.960 > 23 24 Se 0.12778656833850 0.65491016258978 0.52440594791888 78.960 > 23 25 Se 0.23256048971882 0.30820930157224 0.82634181776060 78.960 > 25 26 Se 0.23256048971882 0.80820930157224 0.82634181776060 78.960 > 25 27 Se 0.26743951028118 0.05820930157224 0.67365818223940 78.960 > 27 28 Se 0.26743951028118 0.55820930157224 0.67365818223940 78.960 > 27 29 Se 0.76743951028118 0.19179069842776 0.17365818223940 78.960 > 29 30 Se 0.76743951028118 0.69179069842776 0.17365818223940 78.960 > 29 31 Se 0.73256048971882 0.44179069842776 0.32634181776060 78.960 > 31 32 Se 0.73256048971882 0.94179069842776 0.32634181776060 78.960 > 31 33 Se 0.08416582973711 0.49323236557439 0.76840244681803 78.960 > 33 34 Se 0.08416582973711 0.99323236557439 0.76840244681803 78.960 > 33 35 Se 0.91583417026289 0.49323236557439 0.73159755318197 78.960 > 35 36 Se 0.91583417026289 0.99323236557439 0.73159755318197 78.960 > 35 37 Se 0.91583417026289 0.00676763442561 0.23159755318197 78.960 > 37 38 Se 0.91583417026289 0.50676763442561 0.23159755318197 78.960 > 37 39 Se 0.08416582973711 0.00676763442561 0.26840244681803 78.960 > 39 40 Se 0.08416582973711 0.50676763442561 0.26840244681803 78.960 > 39 41 Se 0.00000000000000 0.26591706354154 0.75000000000000 78.960 > 41 42 Se 0.00000000000000 0.76591706354154 0.75000000000000 78.960 > 41 43 Se 0.00000000000000 0.23408293645846 0.25000000000000 78.960 > 43 44 Se 0.00000000000000 0.73408293645846 0.25000000000000 78.960 > 43 45 Se 0.12778656833850 0.34508983741022 0.02440594791889 78.960 > 17 46 Se 0.12778656833850 0.84508983741022 0.02440594791889 78.960 > 17 47 Se 0.37221343166150 0.09508983741022 0.47559405208111 78.960 > 19 48 Se 0.37221343166150 0.59508983741022 0.47559405208111 78.960 > 19 49 Se 0.87221343166150 0.15491016258978 0.97559405208112 78.960 > 21 50 Se 0.87221343166150 0.65491016258978 0.97559405208112 78.960 > 21 51 Se 0.62778656833850 0.40491016258978 0.52440594791888 78.960 > 23 52 Se 0.62778656833850 0.90491016258978 0.52440594791888 78.960 > 23 53 Se 0.73256048971882 0.05820930157224 0.82634181776060 78.960 > 25 54 Se 0.73256048971882 0.55820930157224 0.82634181776060 78.960 > 25 55 Se 0.76743951028118 0.30820930157224 0.67365818223940 78.960 > 27 56 Se 0.76743951028118 0.80820930157224 0.67365818223940 78.960 > 27 57 Se 0.26743951028118 0.44179069842776 0.17365818223940 78.960 > 29 58 Se 0.26743951028118 0.94179069842776 0.17365818223940 78.960 > 29 59 Se 0.23256048971882 0.19179069842776 0.32634181776060 78.960 > 31 60 Se 0.23256048971882 0.69179069842776 0.32634181776060 78.960 > 31 61 Se 0.58416582973711 0.24323236557439 0.76840244681803 78.960 > 33 62 Se 0.58416582973711 0.74323236557439 0.76840244681803 78.960 > 33 63 Se 0.41583417026289 0.24323236557439 0.73159755318197 78.960 > 35 64 Se 0.41583417026289 0.74323236557439 0.73159755318197 78.960 > 35 65 Se 0.41583417026289 0.25676763442561 0.23159755318197 78.960 > 37 66 Se 0.41583417026289 0.75676763442561 0.23159755318197 78.960 > 37 67 Se 0.58416582973711 0.25676763442561 0.26840244681803 78.960 > 39 68 Se 0.58416582973711 0.75676763442561 0.26840244681803 78.960 > 39 69 Se 0.50000000000000 0.01591706354154 0.75000000000000 78.960 > 41 70 Se 0.50000000000000 0.51591706354154 0.75000000000000 78.960 > 41 71 Se 0.50000000000000 0.48408293645846 0.25000000000000 78.960 > 43 72 Se 0.50000000000000 0.98408293645846 0.25000000000000 78.960 > 43 73 Tl 0.10362702372845 0.39257613554945 0.52874769179091 204.383 > 73 74 Tl 0.10362702372845 0.89257613554945 0.52874769179091 204.383 > 73 75 Tl 0.39637297627155 0.14257613554945 0.97125230820909 204.383 > 75 76 Tl 0.39637297627155 0.64257613554945 0.97125230820909 204.383 > 75 77 Tl 0.89637297627155 0.10742386445055 0.47125230820909 204.383 > 77 78 Tl 0.89637297627155 0.60742386445055 0.47125230820909 204.383 > 77 79 Tl 0.60362702372845 0.35742386445055 0.02874769179091 204.383 > 79 80 Tl 0.60362702372845 0.85742386445055 0.02874769179091 204.383 > 79 81 Tl 0.60362702372845 0.14257613554945 0.52874769179091 204.383 > 73 82 Tl 0.60362702372845 0.64257613554945 0.52874769179091 204.383 > 73 83 Tl 0.89637297627155 0.39257613554945 0.97125230820909 204.383 > 75 84 Tl 0.89637297627155 0.89257613554945 0.97125230820909 204.383 > 75 85 Tl 0.39637297627155 0.35742386445055 0.47125230820909 204.383 > 77 86 Tl 0.39637297627155 0.85742386445055 0.47125230820909 204.383 > 77 87 Tl 0.10362702372845 0.10742386445055 0.02874769179091 204.383 > 79 88 Tl 0.10362702372845 0.60742386445055 0.02874769179091 204.383 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.7498759 0.0000000 1.2188356 0.0000000 7.2815271 0.0000000 1.2188423 0.0000000 9.9843830 -------------------------- Born effective charges -------------------------- 1 B 1.2250776 0.0648428 -0.1707097 -0.0481560 0.3552181 0.2303691 -0.1639786 0.2216592 1.0594413 2 B 1.2250776 -0.0648428 -0.1707097 0.0481560 0.3552181 -0.2303691 -0.1639786 -0.2216592 1.0594413 3 B 1.2250776 0.0648428 -0.1707097 -0.0481560 0.3552181 0.2303691 -0.1639786 0.2216592 1.0594413 4 B 1.2250776 -0.0648428 -0.1707097 0.0481560 0.3552181 -0.2303691 -0.1639786 -0.2216592 1.0594413 5 Se -1.0074223 0.1541326 0.7677323 0.0308300 -0.4086807 0.4249850 0.6315505 0.8290908 0.4976173 6 Se -1.0074223 -0.1541326 0.7677323 -0.0308300 -0.4086807 -0.4249850 0.6315505 -0.8290908 0.4976173 7 Se -1.0074223 0.1541326 0.7677323 0.0308300 -0.4086807 0.4249850 0.6315505 0.8290908 0.4976173 8 Se -1.0074223 -0.1541326 0.7677323 -0.0308300 -0.4086807 -0.4249850 0.6315505 -0.8290908 0.4976173 9 Se -0.8310088 0.5673804 -0.2979663 0.5104534 -1.0524926 0.3245191 -0.2514441 0.0124930 -1.4494098 10 Se -0.8310088 -0.5673804 -0.2979663 -0.5104534 -1.0524926 -0.3245191 -0.2514441 -0.0124930 -1.4494098 11 Se -0.8310088 0.5673804 -0.2979663 0.5104534 -1.0524926 0.3245191 -0.2514441 0.0124930 -1.4494098 12 Se -0.8310088 -0.5673804 -0.2979663 -0.5104534 -1.0524926 -0.3245191 -0.2514441 -0.0124930 -1.4494098 13 Se -0.5781113 -0.0688659 0.3433926 -0.0706924 -0.7359224 -0.3084830 0.4099437 -0.3813637 -1.2335206 14 Se -0.5781113 0.0688659 0.3433926 0.0706924 -0.7359224 0.3084830 0.4099437 0.3813637 -1.2335206 15 Se -0.5781113 -0.0688659 0.3433926 -0.0706924 -0.7359224 -0.3084830 0.4099437 -0.3813637 -1.2335206 16 Se -0.5781113 0.0688659 0.3433926 0.0706924 -0.7359224 0.3084830 0.4099437 0.3813637 -1.2335206 17 Se -1.1507142 0.0000000 -1.2007839 0.0000000 -0.7558404 0.0000000 -0.8806308 0.0000000 -2.7395237 18 Se -1.1507142 0.0000000 -1.2007839 0.0000000 -0.7558404 0.0000000 -0.8806308 0.0000000 -2.7395237 19 Tl 1.7668217 0.1990467 -0.0420570 0.3618677 2.2197979 0.0431101 -0.1857561 -0.1844063 2.4956336 20 Tl 1.7668217 -0.1990467 -0.0420570 -0.3618677 2.2197979 -0.0431101 -0.1857561 0.1844063 2.4956336 21 Tl 1.7668217 0.1990467 -0.0420570 0.3618677 2.2197979 0.0431101 -0.1857561 -0.1844063 2.4956336 22 Tl 1.7668217 -0.1990467 -0.0420570 -0.3618677 2.2197979 -0.0431101 -0.1857561 0.1844063 2.4956336 ---------------------------------------------------------------------------- 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 17, 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 33, 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 41, 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:55:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:55:51]------------------------- 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): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.621524253347514 -3.524313370000000 0.000000000000000 b 7.621524253347514 3.524313370000000 0.000000000000000 c -5.897326556250190 0.000000000000000 10.328359422026610 Atomic positions (fractional): 1 B 0.83823007548955 0.39555358349083 0.34781042932273 10.811 2 B 0.60444641650917 0.16176992451045 0.15218957067727 10.811 3 B 0.16176992451045 0.60444641650917 0.65218957067727 10.811 4 B 0.39555358349083 0.83823007548955 0.84781042932273 10.811 5 Se 0.43760689351806 0.81796624315894 0.02440594791889 78.960 6 Se 0.18203375684106 0.56239310648194 0.47559405208111 78.960 7 Se 0.56239310648194 0.18203375684106 0.97559405208112 78.960 8 Se 0.81796624315894 0.43760689351806 0.52440594791888 78.960 9 Se 0.61614188657434 0.84897909286330 0.82634181776060 78.960 10 Se 0.15102090713670 0.38385811342566 0.67365818223940 78.960 11 Se 0.38385811342566 0.15102090713670 0.17365818223940 78.960 12 Se 0.84897909286330 0.61614188657434 0.32634181776060 78.960 13 Se 0.09770109858834 0.07063056088589 0.76840244681803 78.960 14 Se 0.92936943911411 0.90229890141166 0.73159755318197 78.960 15 Se 0.90229890141166 0.92936943911411 0.23159755318197 78.960 16 Se 0.07063056088589 0.09770109858834 0.26840244681803 78.960 17 Se 0.46816587291692 0.53183412708308 0.75000000000000 78.960 18 Se 0.53183412708308 0.46816587291692 0.25000000000000 78.960 19 Tl 0.31847475262956 0.88877929482734 0.52874769179091 204.383 20 Tl 0.11122070517266 0.68152524737044 0.97125230820909 204.383 21 Tl 0.68152524737044 0.11122070517266 0.47125230820909 204.383 22 Tl 0.88877929482734 0.31847475262956 0.02874769179091 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.243048506695029 0.000000000000000 0.000000000000000 b 0.000000000000000 14.097253479999999 0.000000000000000 c -5.897326556250190 0.000000000000000 10.328359422026610 Atomic positions (fractional): 1 B 0.11689182949019 0.13933087700032 0.34781042932273 10.811 > 1 2 B 0.11689182949019 0.63933087700032 0.34781042932273 10.811 > 1 3 B 0.88310817050981 0.13933087700032 0.15218957067727 10.811 > 3 4 B 0.88310817050981 0.63933087700032 0.15218957067727 10.811 > 3 5 B 0.88310817050981 0.36066912299968 0.65218957067727 10.811 > 5 6 B 0.88310817050981 0.86066912299968 0.65218957067727 10.811 > 5 7 B 0.11689182949019 0.36066912299968 0.84781042932273 10.811 > 7 8 B 0.11689182949019 0.86066912299968 0.84781042932273 10.811 > 7 9 B 0.61689182949019 0.38933087700032 0.34781042932273 10.811 > 1 10 B 0.61689182949019 0.88933087700032 0.34781042932273 10.811 > 1 11 B 0.38310817050981 0.38933087700032 0.15218957067727 10.811 > 3 12 B 0.38310817050981 0.88933087700032 0.15218957067727 10.811 > 3 13 B 0.38310817050981 0.11066912299968 0.65218957067727 10.811 > 5 14 B 0.38310817050981 0.61066912299968 0.65218957067727 10.811 > 5 15 B 0.61689182949019 0.11066912299968 0.84781042932273 10.811 > 7 16 B 0.61689182949019 0.61066912299968 0.84781042932273 10.811 > 7 17 Se 0.62778656833850 0.09508983741022 0.02440594791889 78.960 > 17 18 Se 0.62778656833850 0.59508983741022 0.02440594791889 78.960 > 17 19 Se 0.87221343166150 0.34508983741022 0.47559405208111 78.960 > 19 20 Se 0.87221343166150 0.84508983741022 0.47559405208111 78.960 > 19 21 Se 0.37221343166150 0.40491016258978 0.97559405208112 78.960 > 21 22 Se 0.37221343166150 0.90491016258978 0.97559405208112 78.960 > 21 23 Se 0.12778656833850 0.15491016258978 0.52440594791888 78.960 > 23 24 Se 0.12778656833850 0.65491016258978 0.52440594791888 78.960 > 23 25 Se 0.23256048971882 0.30820930157224 0.82634181776060 78.960 > 25 26 Se 0.23256048971882 0.80820930157224 0.82634181776060 78.960 > 25 27 Se 0.26743951028118 0.05820930157224 0.67365818223940 78.960 > 27 28 Se 0.26743951028118 0.55820930157224 0.67365818223940 78.960 > 27 29 Se 0.76743951028118 0.19179069842776 0.17365818223940 78.960 > 29 30 Se 0.76743951028118 0.69179069842776 0.17365818223940 78.960 > 29 31 Se 0.73256048971882 0.44179069842776 0.32634181776060 78.960 > 31 32 Se 0.73256048971882 0.94179069842776 0.32634181776060 78.960 > 31 33 Se 0.08416582973711 0.49323236557439 0.76840244681803 78.960 > 33 34 Se 0.08416582973711 0.99323236557439 0.76840244681803 78.960 > 33 35 Se 0.91583417026289 0.49323236557439 0.73159755318197 78.960 > 35 36 Se 0.91583417026289 0.99323236557439 0.73159755318197 78.960 > 35 37 Se 0.91583417026289 0.00676763442561 0.23159755318197 78.960 > 37 38 Se 0.91583417026289 0.50676763442561 0.23159755318197 78.960 > 37 39 Se 0.08416582973711 0.00676763442561 0.26840244681803 78.960 > 39 40 Se 0.08416582973711 0.50676763442561 0.26840244681803 78.960 > 39 41 Se 0.00000000000000 0.26591706354154 0.75000000000000 78.960 > 41 42 Se 0.00000000000000 0.76591706354154 0.75000000000000 78.960 > 41 43 Se 0.00000000000000 0.23408293645846 0.25000000000000 78.960 > 43 44 Se 0.00000000000000 0.73408293645846 0.25000000000000 78.960 > 43 45 Se 0.12778656833850 0.34508983741022 0.02440594791889 78.960 > 17 46 Se 0.12778656833850 0.84508983741022 0.02440594791889 78.960 > 17 47 Se 0.37221343166150 0.09508983741022 0.47559405208111 78.960 > 19 48 Se 0.37221343166150 0.59508983741022 0.47559405208111 78.960 > 19 49 Se 0.87221343166150 0.15491016258978 0.97559405208112 78.960 > 21 50 Se 0.87221343166150 0.65491016258978 0.97559405208112 78.960 > 21 51 Se 0.62778656833850 0.40491016258978 0.52440594791888 78.960 > 23 52 Se 0.62778656833850 0.90491016258978 0.52440594791888 78.960 > 23 53 Se 0.73256048971882 0.05820930157224 0.82634181776060 78.960 > 25 54 Se 0.73256048971882 0.55820930157224 0.82634181776060 78.960 > 25 55 Se 0.76743951028118 0.30820930157224 0.67365818223940 78.960 > 27 56 Se 0.76743951028118 0.80820930157224 0.67365818223940 78.960 > 27 57 Se 0.26743951028118 0.44179069842776 0.17365818223940 78.960 > 29 58 Se 0.26743951028118 0.94179069842776 0.17365818223940 78.960 > 29 59 Se 0.23256048971882 0.19179069842776 0.32634181776060 78.960 > 31 60 Se 0.23256048971882 0.69179069842776 0.32634181776060 78.960 > 31 61 Se 0.58416582973711 0.24323236557439 0.76840244681803 78.960 > 33 62 Se 0.58416582973711 0.74323236557439 0.76840244681803 78.960 > 33 63 Se 0.41583417026289 0.24323236557439 0.73159755318197 78.960 > 35 64 Se 0.41583417026289 0.74323236557439 0.73159755318197 78.960 > 35 65 Se 0.41583417026289 0.25676763442561 0.23159755318197 78.960 > 37 66 Se 0.41583417026289 0.75676763442561 0.23159755318197 78.960 > 37 67 Se 0.58416582973711 0.25676763442561 0.26840244681803 78.960 > 39 68 Se 0.58416582973711 0.75676763442561 0.26840244681803 78.960 > 39 69 Se 0.50000000000000 0.01591706354154 0.75000000000000 78.960 > 41 70 Se 0.50000000000000 0.51591706354154 0.75000000000000 78.960 > 41 71 Se 0.50000000000000 0.48408293645846 0.25000000000000 78.960 > 43 72 Se 0.50000000000000 0.98408293645846 0.25000000000000 78.960 > 43 73 Tl 0.10362702372845 0.39257613554945 0.52874769179091 204.383 > 73 74 Tl 0.10362702372845 0.89257613554945 0.52874769179091 204.383 > 73 75 Tl 0.39637297627155 0.14257613554945 0.97125230820909 204.383 > 75 76 Tl 0.39637297627155 0.64257613554945 0.97125230820909 204.383 > 75 77 Tl 0.89637297627155 0.10742386445055 0.47125230820909 204.383 > 77 78 Tl 0.89637297627155 0.60742386445055 0.47125230820909 204.383 > 77 79 Tl 0.60362702372845 0.35742386445055 0.02874769179091 204.383 > 79 80 Tl 0.60362702372845 0.85742386445055 0.02874769179091 204.383 > 79 81 Tl 0.60362702372845 0.14257613554945 0.52874769179091 204.383 > 73 82 Tl 0.60362702372845 0.64257613554945 0.52874769179091 204.383 > 73 83 Tl 0.89637297627155 0.39257613554945 0.97125230820909 204.383 > 75 84 Tl 0.89637297627155 0.89257613554945 0.97125230820909 204.383 > 75 85 Tl 0.39637297627155 0.35742386445055 0.47125230820909 204.383 > 77 86 Tl 0.39637297627155 0.85742386445055 0.47125230820909 204.383 > 77 87 Tl 0.10362702372845 0.10742386445055 0.02874769179091 204.383 > 79 88 Tl 0.10362702372845 0.60742386445055 0.02874769179091 204.383 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.7498759 0.0000000 1.2188356 0.0000000 7.2815271 0.0000000 1.2188423 0.0000000 9.9843830 -------------------------- Born effective charges -------------------------- 1 B 1.2250776 0.0648428 -0.1707097 -0.0481560 0.3552181 0.2303691 -0.1639786 0.2216592 1.0594413 2 B 1.2250776 -0.0648428 -0.1707097 0.0481560 0.3552181 -0.2303691 -0.1639786 -0.2216592 1.0594413 3 B 1.2250776 0.0648428 -0.1707097 -0.0481560 0.3552181 0.2303691 -0.1639786 0.2216592 1.0594413 4 B 1.2250776 -0.0648428 -0.1707097 0.0481560 0.3552181 -0.2303691 -0.1639786 -0.2216592 1.0594413 5 Se -1.0074223 0.1541326 0.7677323 0.0308300 -0.4086807 0.4249850 0.6315505 0.8290908 0.4976173 6 Se -1.0074223 -0.1541326 0.7677323 -0.0308300 -0.4086807 -0.4249850 0.6315505 -0.8290908 0.4976173 7 Se -1.0074223 0.1541326 0.7677323 0.0308300 -0.4086807 0.4249850 0.6315505 0.8290908 0.4976173 8 Se -1.0074223 -0.1541326 0.7677323 -0.0308300 -0.4086807 -0.4249850 0.6315505 -0.8290908 0.4976173 9 Se -0.8310088 0.5673804 -0.2979663 0.5104534 -1.0524926 0.3245191 -0.2514441 0.0124930 -1.4494098 10 Se -0.8310088 -0.5673804 -0.2979663 -0.5104534 -1.0524926 -0.3245191 -0.2514441 -0.0124930 -1.4494098 11 Se -0.8310088 0.5673804 -0.2979663 0.5104534 -1.0524926 0.3245191 -0.2514441 0.0124930 -1.4494098 12 Se -0.8310088 -0.5673804 -0.2979663 -0.5104534 -1.0524926 -0.3245191 -0.2514441 -0.0124930 -1.4494098 13 Se -0.5781113 -0.0688659 0.3433926 -0.0706924 -0.7359224 -0.3084830 0.4099437 -0.3813637 -1.2335206 14 Se -0.5781113 0.0688659 0.3433926 0.0706924 -0.7359224 0.3084830 0.4099437 0.3813637 -1.2335206 15 Se -0.5781113 -0.0688659 0.3433926 -0.0706924 -0.7359224 -0.3084830 0.4099437 -0.3813637 -1.2335206 16 Se -0.5781113 0.0688659 0.3433926 0.0706924 -0.7359224 0.3084830 0.4099437 0.3813637 -1.2335206 17 Se -1.1507142 0.0000000 -1.2007839 0.0000000 -0.7558404 0.0000000 -0.8806308 0.0000000 -2.7395237 18 Se -1.1507142 0.0000000 -1.2007839 0.0000000 -0.7558404 0.0000000 -0.8806308 0.0000000 -2.7395237 19 Tl 1.7668217 0.1990467 -0.0420570 0.3618677 2.2197979 0.0431101 -0.1857561 -0.1844063 2.4956336 20 Tl 1.7668217 -0.1990467 -0.0420570 -0.3618677 2.2197979 -0.0431101 -0.1857561 0.1844063 2.4956336 21 Tl 1.7668217 0.1990467 -0.0420570 0.3618677 2.2197979 0.0431101 -0.1857561 -0.1844063 2.4956336 22 Tl 1.7668217 -0.1990467 -0.0420570 -0.3618677 2.2197979 -0.0431101 -0.1857561 0.1844063 2.4956336 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (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 5 ] 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: 0.51, Number of G-points: 303, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/93) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 93 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 0.796 ( 0.000 0.000 0.000) 0.000 0.928 ( 0.000 0.000 0.000) 0.000 0.939 ( 0.000 0.000 0.000) 0.000 0.967 ( 0.000 0.000 0.000) 0.000 0.973 ( 0.000 0.000 0.000) 0.000 1.096 ( 0.000 0.000 0.000) 0.000 1.103 ( 0.000 0.000 0.000) 0.000 1.147 ( 0.000 0.000 0.000) 0.000 1.213 ( 0.000 0.000 0.000) 0.000 1.281 ( 0.000 0.000 0.000) 0.000 1.413 ( 0.000 0.000 0.000) 0.000 1.439 ( 0.000 0.000 0.000) 0.000 1.484 ( 0.000 0.000 0.000) 0.000 1.722 ( 0.000 0.000 0.000) 0.000 1.799 ( 0.000 0.000 0.000) 0.000 1.811 ( 0.000 0.000 0.000) 0.000 1.904 ( 0.000 0.000 0.000) 0.000 1.940 ( 0.000 0.000 0.000) 0.000 1.967 ( 0.000 0.000 0.000) 0.000 2.029 ( 0.000 0.000 0.000) 0.000 2.632 ( 0.000 0.000 0.000) 0.000 2.676 ( 0.000 0.000 0.000) 0.000 2.776 ( 0.000 0.000 0.000) 0.000 2.995 ( 0.000 0.000 0.000) 0.000 3.028 ( 0.000 0.000 0.000) 0.000 3.195 ( 0.000 0.000 0.000) 0.000 3.265 ( 0.000 0.000 0.000) 0.000 3.504 ( 0.000 0.000 0.000) 0.000 3.547 ( 0.000 0.000 0.000) 0.000 3.682 ( 0.000 0.000 0.000) 0.000 3.689 ( 0.000 0.000 0.000) 0.000 3.874 ( 0.000 0.000 0.000) 0.000 4.095 ( 0.000 0.000 0.000) 0.000 4.273 ( 0.000 0.000 0.000) 0.000 4.502 ( 0.000 0.000 0.000) 0.000 4.606 ( 0.000 0.000 0.000) 0.000 4.832 ( 0.000 0.000 0.000) 0.000 5.089 ( 0.000 0.000 0.000) 0.000 5.416 ( 0.000 0.000 0.000) 0.000 5.752 ( 0.000 0.000 0.000) 0.000 5.938 ( 0.000 0.000 0.000) 0.000 6.511 ( 0.000 0.000 0.000) 0.000 6.588 ( 0.000 0.000 0.000) 0.000 6.677 ( 0.000 0.000 0.000) 0.000 6.871 ( 0.000 0.000 0.000) 0.000 7.242 ( 0.000 0.000 0.000) 0.000 7.292 ( 0.000 0.000 0.000) 0.000 7.504 ( 0.000 0.000 0.000) 0.000 7.568 ( 0.000 0.000 0.000) 0.000 7.861 ( 0.000 0.000 0.000) 0.000 7.874 ( 0.000 0.000 0.000) 0.000 16.316 ( 0.000 0.000 0.000) 0.000 16.340 ( 0.000 0.000 0.000) 0.000 17.071 ( 0.000 0.000 0.000) 0.000 17.155 ( 0.000 0.000 0.000) 0.000 17.756 ( 0.000 0.000 0.000) 0.000 17.779 ( 0.000 0.000 0.000) 0.000 18.669 ( 0.000 0.000 0.000) 0.000 18.882 ( 0.000 0.000 0.000) 0.000 18.933 ( 0.000 0.000 0.000) 0.000 19.063 ( 0.000 0.000 0.000) 0.000 19.624 ( 0.000 0.000 0.000) 0.000 19.980 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/93) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.202 ( 8.003 -5.410 6.329) 11.548 0.225 ( 6.574 -10.595 -5.100) 13.472 0.441 ( 15.801 -12.099 13.370) 23.975 0.767 ( -0.052 2.556 -1.037) 2.759 0.847 ( -1.413 4.725 2.073) 5.350 0.954 ( 1.212 1.254 1.013) 2.017 0.984 ( -0.697 -1.656 -3.364) 3.814 1.015 ( -0.210 -1.347 1.757) 2.223 1.083 ( -0.889 -0.444 0.136) 1.003 1.152 ( 1.356 -0.300 1.089) 1.765 1.166 ( 0.023 1.204 0.453) 1.286 1.198 ( 2.152 0.912 2.430) 3.372 1.271 ( 2.993 1.043 0.379) 3.192 1.419 ( 0.168 -0.305 0.480) 0.593 1.460 ( -0.225 1.709 1.420) 2.234 1.636 ( -7.229 -2.415 -9.540) 12.211 1.755 ( -5.090 1.264 -0.156) 5.247 1.818 ( 0.691 1.318 0.485) 1.565 1.836 ( -0.502 0.631 -2.435) 2.565 1.889 ( 1.008 -1.976 0.996) 2.431 1.953 ( 1.210 -1.747 -1.352) 2.519 2.006 ( 1.290 -1.368 3.304) 3.801 2.074 ( 1.660 -3.114 1.013) 3.672 2.627 ( -0.299 0.553 0.317) 0.705 2.675 ( -0.061 -0.007 -0.517) 0.521 2.786 ( -1.890 -0.399 -2.188) 2.919 2.946 ( -10.628 -0.287 -11.014) 15.308 2.979 ( -2.245 -0.060 -2.575) 3.416 3.239 ( 4.072 0.233 4.371) 5.978 3.268 ( 1.102 0.332 0.566) 1.283 3.512 ( 1.979 0.831 2.769) 3.504 3.555 ( -0.113 -0.015 1.935) 1.938 3.688 ( 0.166 -0.143 0.075) 0.231 3.774 ( -0.353 2.142 4.504) 4.999 3.881 ( 0.349 -0.416 0.867) 1.023 4.090 ( -0.575 0.454 0.467) 0.869 4.284 ( 0.660 -0.756 0.549) 1.145 4.499 ( 0.554 0.510 -0.386) 0.847 4.613 ( 2.153 0.865 2.551) 3.448 4.828 ( -0.610 0.010 -0.891) 1.080 5.096 ( 1.138 0.081 1.628) 1.988 5.400 ( -2.223 0.151 -2.011) 3.001 5.754 ( 0.794 0.367 0.887) 1.246 5.930 ( -1.119 0.432 -0.932) 1.519 6.512 ( -0.313 -0.186 0.114) 0.382 6.574 ( -1.461 0.397 -0.983) 1.805 6.698 ( 2.611 0.400 2.669) 3.756 6.871 ( -0.804 -0.070 -1.017) 1.298 7.244 ( 0.376 0.015 0.340) 0.508 7.294 ( -0.216 0.730 1.546) 1.723 7.505 ( 0.252 0.125 0.379) 0.472 7.563 ( -0.319 0.316 -0.267) 0.523 7.861 ( 0.014 0.109 0.021) 0.112 7.871 ( -0.007 0.266 -0.031) 0.267 16.339 ( 1.055 0.914 3.323) 3.604 16.344 ( -0.145 -0.419 0.090) 0.452 17.058 ( 0.470 1.679 0.209) 1.756 17.141 ( 0.013 1.558 -0.240) 1.577 17.770 ( 1.529 -0.011 -0.186) 1.540 17.783 ( 0.551 -0.145 0.091) 0.577 18.675 ( 0.977 0.065 0.845) 1.293 18.860 ( -2.758 0.792 -2.250) 3.646 18.959 ( 3.202 -0.060 1.893) 3.720 19.077 ( 2.680 0.032 -2.791) 3.870 19.641 ( 0.866 -1.055 1.388) 1.947 19.961 ( -2.187 1.644 -1.666) 3.203 ======================= Grid point 2 (3/93) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( 7.162 -3.325 5.034) 9.365 0.429 ( 5.498 -9.291 -5.091) 11.936 0.679 ( 0.702 1.641 0.228) 1.799 0.769 ( -1.724 3.806 4.613) 6.224 0.808 ( 9.195 -6.378 2.637) 11.497 0.936 ( 1.007 3.539 0.364) 3.697 0.995 ( 0.401 -0.968 -1.585) 1.900 1.022 ( -1.462 -1.678 3.659) 4.283 1.084 ( -2.941 1.858 -3.157) 4.698 1.105 ( -0.058 -0.441 0.499) 0.669 1.165 ( -0.313 0.527 0.895) 1.085 1.244 ( 2.917 -0.085 4.338) 5.229 1.321 ( 6.740 -0.134 2.769) 7.287 1.429 ( 1.584 1.713 -0.689) 2.432 1.435 ( -1.674 -1.342 3.307) 3.942 1.593 ( -2.419 -0.587 -2.916) 3.834 1.686 ( -4.578 1.541 -0.679) 4.878 1.754 ( 0.388 3.322 -2.859) 4.400 1.826 ( -1.583 -0.909 -2.462) 3.064 1.943 ( 2.283 -0.481 1.379) 2.710 2.010 ( 4.076 -1.964 2.997) 5.427 2.059 ( 1.940 -1.023 4.268) 4.798 2.146 ( 0.690 -3.107 -0.345) 3.201 2.607 ( -2.876 0.788 -1.831) 3.499 2.665 ( -2.063 0.130 -3.167) 3.782 2.711 ( -6.558 0.418 -7.306) 9.826 2.866 ( -2.899 -0.974 -2.587) 4.005 2.946 ( -2.665 -0.271 -3.524) 4.427 3.271 ( 1.910 0.474 1.748) 2.632 3.274 ( 1.214 0.428 0.738) 1.485 3.527 ( 2.213 1.133 3.063) 3.945 3.566 ( 0.475 0.006 1.938) 1.995 3.690 ( 0.003 0.186 0.202) 0.274 3.746 ( -1.559 1.240 0.031) 1.993 3.904 ( 0.861 -1.058 1.574) 2.083 4.075 ( -0.882 0.761 0.294) 1.201 4.315 ( 1.259 -1.410 1.063) 2.169 4.487 ( 0.470 1.077 -0.809) 1.426 4.634 ( 3.461 1.142 4.086) 5.475 4.811 ( -1.687 0.184 -2.011) 2.631 5.122 ( 2.627 0.101 3.324) 4.238 5.357 ( -3.972 0.230 -3.831) 5.524 5.762 ( 1.633 0.439 1.831) 2.492 5.901 ( -2.140 0.404 -2.388) 3.232 6.513 ( -0.412 -0.247 0.151) 0.503 6.549 ( -1.437 0.438 -0.905) 1.754 6.730 ( 3.068 0.222 2.947) 4.260 6.856 ( -1.321 0.040 -1.713) 2.164 7.250 ( 0.552 0.037 0.493) 0.741 7.284 ( -0.223 0.597 0.317) 0.712 7.507 ( 0.384 0.198 0.638) 0.771 7.551 ( -0.502 0.434 -0.482) 0.820 7.859 ( 0.028 0.154 0.024) 0.158 7.865 ( -0.006 0.379 -0.031) 0.380 16.349 ( 0.371 -0.115 1.190) 1.252 16.352 ( -0.196 -0.570 0.140) 0.619 17.026 ( 0.666 2.386 0.297) 2.495 17.105 ( 0.077 2.259 -0.312) 2.282 17.784 ( 0.559 -0.499 -0.273) 0.797 17.795 ( 0.999 -0.360 0.198) 1.081 18.689 ( 1.496 0.122 1.316) 1.996 18.809 ( -2.075 1.313 -2.172) 3.278 18.998 ( 3.477 -0.080 2.247) 4.141 19.085 ( 0.689 -0.583 -2.044) 2.235 19.682 ( 1.233 -1.474 1.938) 2.729 19.891 ( -2.721 2.611 -2.106) 4.320 ======================= Grid point 3 (4/93) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 4.498 -0.662 2.219) 5.059 0.585 ( 3.203 -5.940 -3.479) 7.592 0.652 ( 1.656 0.906 0.005) 1.887 0.728 ( -1.263 0.759 2.297) 2.729 0.837 ( -3.261 3.468 -3.249) 5.764 0.943 ( 3.235 -1.608 -1.301) 3.840 0.990 ( -2.035 0.438 0.565) 2.157 1.040 ( 1.023 0.521 2.139) 2.427 1.087 ( 0.385 -0.635 0.692) 1.015 1.126 ( 1.999 -0.642 2.759) 3.467 1.147 ( -0.664 0.441 1.290) 1.517 1.284 ( 2.054 1.442 1.921) 3.161 1.345 ( -0.139 -0.685 -0.693) 0.985 1.413 ( 1.502 1.216 -0.292) 1.954 1.488 ( -0.125 -2.205 2.882) 3.631 1.590 ( -0.333 0.702 -0.579) 0.969 1.654 ( 1.123 -1.095 3.581) 3.909 1.707 ( 1.676 1.685 -0.504) 2.429 1.809 ( -2.906 -0.854 -4.259) 5.226 1.959 ( 0.916 0.171 -0.067) 0.934 2.105 ( 5.578 -0.330 5.548) 7.874 2.115 ( 4.381 -0.983 6.349) 7.776 2.181 ( -0.488 -1.364 -1.297) 1.945 2.463 ( -13.853 0.839 -14.670) 20.194 2.642 ( 0.185 -0.025 0.645) 0.671 2.688 ( 0.193 -0.157 -0.500) 0.559 2.861 ( -0.862 -0.339 -0.517) 1.061 2.920 ( -1.505 -0.412 -2.225) 2.718 3.278 ( 0.732 0.198 0.224) 0.791 3.279 ( 0.640 0.366 0.646) 0.980 3.536 ( 1.268 0.690 1.691) 2.223 3.577 ( 0.405 0.170 1.517) 1.579 3.686 ( 0.232 0.536 0.822) 1.008 3.710 ( -1.769 0.608 -1.722) 2.543 3.945 ( 1.289 -1.416 1.914) 2.708 4.050 ( -1.122 1.038 -0.607) 1.645 4.362 ( 1.552 -1.774 1.429) 2.757 4.459 ( -0.452 1.589 -1.313) 2.110 4.670 ( 4.109 0.613 4.625) 6.217 4.774 ( -2.963 0.310 -3.230) 4.393 5.166 ( 3.926 0.116 4.555) 6.015 5.296 ( -4.760 0.121 -4.907) 6.838 5.783 ( 2.353 0.207 2.638) 3.541 5.861 ( -2.694 0.333 -3.032) 4.069 6.515 ( -0.213 -0.195 0.129) 0.316 6.530 ( -0.865 0.277 -0.496) 1.034 6.766 ( 2.949 0.142 2.966) 4.185 6.832 ( -1.920 0.025 -2.299) 2.996 7.256 ( 0.455 0.011 0.411) 0.613 7.273 ( -0.219 0.395 -0.092) 0.461 7.509 ( 0.329 0.171 0.623) 0.725 7.538 ( -0.428 0.281 -0.513) 0.725 7.856 ( 0.003 0.104 -0.021) 0.106 7.859 ( 0.014 0.271 0.016) 0.272 16.358 ( 0.044 -0.271 0.312) 0.415 16.361 ( -0.064 -0.363 0.190) 0.415 16.994 ( 0.472 1.695 0.210) 1.772 17.068 ( 0.067 1.617 -0.217) 1.633 17.793 ( 0.267 -0.295 -0.151) 0.426 17.810 ( 0.671 -0.396 0.111) 0.787 18.705 ( 1.343 0.136 1.208) 1.811 18.765 ( -1.402 0.971 -1.596) 2.336 19.038 ( 2.997 -0.111 2.480) 3.891 19.086 ( -0.662 -0.501 -2.177) 2.330 19.725 ( 1.133 -1.251 1.633) 2.348 19.818 ( -2.160 2.096 -1.792) 3.502 ======================= Grid point 4 (5/93) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( -0.000 -0.000 0.000) 0.000 0.637 ( 0.000 -0.000 -0.000) 0.000 0.670 ( 0.000 -0.000 -0.000) 0.000 0.735 ( 0.000 -0.000 0.000) 0.000 0.763 ( 0.000 -0.000 -0.000) 0.000 0.959 ( 0.000 -0.000 -0.000) 0.000 0.979 ( 0.000 0.000 0.000) 0.000 1.038 ( 0.000 -0.000 -0.000) 0.000 1.115 ( -0.000 0.000 -0.000) 0.000 1.120 ( 0.000 -0.000 0.000) 0.000 1.179 ( 0.000 -0.000 0.000) 0.000 1.241 ( 0.000 -0.000 0.000) 0.000 1.372 ( -0.000 0.000 -0.000) 0.000 1.404 ( 0.000 -0.000 0.000) 0.000 1.518 ( 0.000 -0.000 0.000) 0.000 1.563 ( 0.000 -0.000 -0.000) 0.000 1.682 ( 0.000 0.000 -0.000) 0.000 1.752 ( -0.000 0.000 -0.000) 0.000 1.762 ( 0.000 -0.000 0.000) 0.000 1.960 ( 0.000 -0.000 0.000) 0.000 2.148 ( -0.000 -0.000 -0.000) 0.000 2.154 ( 0.000 0.000 0.000) 0.000 2.262 ( -0.000 -0.000 -0.000) 0.000 2.283 ( 0.000 -0.000 0.000) 0.000 2.648 ( 0.000 -0.000 0.000) 0.000 2.690 ( 0.000 -0.000 0.000) 0.000 2.857 ( -0.000 -0.000 -0.000) 0.000 2.913 ( 0.000 -0.000 0.000) 0.000 3.279 ( -0.000 0.000 0.000) 0.000 3.280 ( 0.000 -0.000 -0.000) 0.000 3.539 ( 0.000 -0.000 -0.000) 0.000 3.580 ( 0.000 -0.000 0.000) 0.000 3.686 ( 0.000 0.000 0.000) 0.000 3.689 ( -0.000 -0.000 -0.000) 0.000 3.977 ( 0.000 -0.000 -0.000) 0.000 4.025 ( 0.000 -0.000 0.000) 0.000 4.409 ( 0.000 -0.000 0.000) 0.000 4.417 ( 0.000 -0.000 -0.000) 0.000 4.712 ( 0.000 -0.000 0.000) 0.000 4.733 ( -0.000 -0.000 -0.000) 0.000 5.210 ( 0.000 -0.000 -0.000) 0.000 5.245 ( 0.000 -0.000 0.000) 0.000 5.812 ( -0.000 -0.000 -0.000) 0.000 5.825 ( 0.000 -0.000 0.000) 0.000 6.517 ( 0.000 -0.000 0.000) 0.000 6.522 ( 0.000 -0.000 -0.000) 0.000 6.795 ( 0.000 -0.000 0.000) 0.000 6.807 ( 0.000 -0.000 0.000) 0.000 7.260 ( -0.000 -0.000 -0.000) 0.000 7.268 ( 0.000 -0.000 0.000) 0.000 7.511 ( 0.000 -0.000 -0.000) 0.000 7.532 ( 0.000 -0.000 0.000) 0.000 7.855 ( 0.000 -0.000 -0.000) 0.000 7.857 ( 0.000 -0.000 0.000) 0.000 16.361 ( -0.000 -0.000 -0.000) 0.000 16.364 ( 0.000 0.000 0.000) 0.000 16.980 ( 0.000 -0.000 0.000) 0.000 17.052 ( 0.000 -0.000 0.000) 0.000 17.797 ( 0.000 -0.000 0.000) 0.000 17.817 ( 0.000 -0.000 0.000) 0.000 18.714 ( 0.000 -0.000 -0.000) 0.000 18.744 ( 0.000 -0.000 0.000) 0.000 19.070 ( -0.000 -0.000 -0.000) 0.000 19.071 ( 0.000 0.000 0.000) 0.000 19.755 ( -0.000 0.000 -0.000) 0.000 19.775 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/93) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.171 ( 9.194 -0.000 6.186) 11.082 0.265 ( 10.933 -0.000 7.403) 13.203 0.594 ( 22.377 -0.000 13.786) 26.282 0.768 ( -1.850 0.000 -2.593) 3.186 0.915 ( 0.373 -0.000 -3.176) 3.198 0.965 ( 0.006 -0.000 -0.848) 0.848 0.968 ( 0.162 -0.000 0.605) 0.626 1.006 ( 3.111 -0.000 4.501) 5.472 1.069 ( -3.897 0.000 0.632) 3.948 1.139 ( -1.553 0.000 0.890) 1.790 1.161 ( -2.623 0.000 -4.598) 5.294 1.272 ( 1.422 -0.000 -2.011) 2.463 1.313 ( 3.262 -0.000 4.916) 5.900 1.426 ( 1.348 -0.000 -2.430) 2.779 1.451 ( 0.426 -0.000 -1.523) 1.581 1.487 ( 0.269 -0.000 2.760) 2.773 1.736 ( -2.154 0.000 2.426) 3.245 1.769 ( -3.668 0.000 -2.193) 4.274 1.863 ( -0.676 0.000 -0.569) 0.884 1.914 ( 1.470 -0.000 -3.693) 3.975 1.948 ( 6.593 -0.000 8.528) 10.779 2.029 ( 2.690 -0.000 3.857) 4.702 2.076 ( 3.838 -0.000 0.793) 3.919 2.634 ( 0.083 -0.000 0.473) 0.480 2.658 ( -3.662 0.000 -4.307) 5.653 2.718 ( -8.743 0.000 -10.274) 13.491 2.826 ( -2.375 0.000 -1.460) 2.787 2.941 ( -2.944 0.000 -3.667) 4.702 3.280 ( 2.021 -0.000 1.884) 2.763 3.284 ( 1.016 -0.000 0.254) 1.047 3.560 ( -0.800 0.000 2.019) 2.171 3.561 ( 3.080 -0.000 4.782) 5.688 3.687 ( 0.594 -0.000 -0.582) 0.831 3.798 ( -4.821 0.000 1.632) 5.089 3.906 ( -0.044 0.000 4.174) 4.175 4.085 ( -1.607 0.000 0.522) 1.690 4.291 ( 1.423 -0.000 1.298) 1.926 4.509 ( 1.098 -0.000 -0.740) 1.324 4.659 ( 3.109 -0.000 3.816) 4.922 4.814 ( -1.396 0.000 -1.846) 2.314 5.119 ( 2.155 -0.000 3.307) 3.947 5.362 ( -4.246 0.000 -3.511) 5.509 5.772 ( 1.448 -0.000 1.617) 2.171 5.913 ( -2.583 0.000 -2.334) 3.481 6.507 ( -0.549 0.000 0.303) 0.627 6.560 ( -1.887 0.000 -0.965) 2.119 6.742 ( 2.669 -0.000 2.973) 3.995 6.854 ( -1.113 0.000 -1.710) 2.040 7.252 ( 0.715 -0.000 0.727) 1.020 7.307 ( -1.606 0.000 1.865) 2.461 7.512 ( 0.505 -0.000 0.716) 0.876 7.560 ( -0.633 0.000 -0.502) 0.808 7.862 ( 0.062 -0.000 0.059) 0.086 7.873 ( -0.017 0.000 -0.069) 0.071 16.337 ( -0.387 0.000 -0.016) 0.387 16.377 ( -2.154 0.000 3.009) 3.700 17.082 ( 0.940 -0.000 0.588) 1.108 17.154 ( 0.131 -0.000 -0.434) 0.453 17.786 ( 0.985 -0.000 -1.521) 1.812 17.787 ( 0.881 -0.000 0.116) 0.889 18.695 ( 2.011 -0.000 1.705) 2.637 18.831 ( -2.269 0.000 -2.536) 3.403 18.999 ( 4.133 -0.000 2.188) 4.676 19.089 ( 2.951 -0.000 -6.185) 6.853 19.653 ( 1.772 -0.000 2.677) 3.210 19.937 ( -3.483 0.000 -2.594) 4.343 ======================= Grid point 11 (7/93) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.323 ( 7.636 -4.973 2.247) 9.386 0.412 ( 8.302 -2.790 6.448) 10.876 0.718 ( -0.058 1.921 -2.161) 2.891 0.818 ( 8.541 -2.548 2.392) 9.228 0.849 ( -1.346 5.413 1.497) 5.775 0.953 ( 3.450 -2.472 -1.668) 4.560 0.990 ( -1.901 1.579 -0.331) 2.494 1.033 ( 0.921 0.263 3.530) 3.657 1.066 ( -3.279 -1.417 0.746) 3.649 1.091 ( -0.410 1.152 -1.825) 2.197 1.161 ( -0.025 -1.724 -1.229) 2.117 1.292 ( 3.862 0.011 2.265) 4.477 1.384 ( 5.156 0.548 0.034) 5.185 1.403 ( -2.757 -1.145 1.841) 3.508 1.468 ( 0.159 -0.233 -1.318) 1.348 1.517 ( -0.237 -2.281 0.956) 2.485 1.687 ( -1.950 2.293 0.599) 3.069 1.763 ( -2.699 -0.957 -1.419) 3.196 1.820 ( 1.121 2.807 -1.256) 3.273 1.942 ( 0.742 -1.710 -1.162) 2.197 2.058 ( 5.428 -1.237 7.630) 9.445 2.080 ( 3.165 -0.948 3.722) 4.977 2.133 ( 5.803 -0.971 3.968) 7.097 2.492 ( -15.589 0.516 -16.287) 22.551 2.639 ( 0.271 -0.006 0.557) 0.620 2.677 ( -0.361 -0.448 -1.442) 1.553 2.838 ( 0.801 -0.673 1.299) 1.668 2.904 ( -2.219 -0.297 -3.229) 3.929 3.286 ( 0.417 0.224 -0.452) 0.654 3.293 ( 0.558 0.256 0.259) 0.666 3.556 ( -0.618 0.477 1.251) 1.474 3.604 ( 2.514 0.660 4.577) 5.264 3.686 ( 0.008 0.045 -0.876) 0.878 3.758 ( -2.670 0.987 0.197) 2.853 3.917 ( 0.903 0.335 3.241) 3.381 4.072 ( -2.025 0.092 0.206) 2.037 4.317 ( 2.084 -0.569 1.655) 2.721 4.505 ( 0.610 0.798 -1.287) 1.632 4.697 ( 3.235 0.637 3.971) 5.162 4.785 ( -2.652 0.190 -3.078) 4.067 5.165 ( 3.560 -0.171 4.722) 5.916 5.300 ( -5.454 0.116 -4.924) 7.349 5.793 ( 2.038 0.208 2.288) 3.071 5.874 ( -2.872 0.303 -3.112) 4.246 6.506 ( -0.500 -0.199 0.513) 0.744 6.539 ( -1.636 0.189 -0.731) 1.802 6.775 ( 3.050 0.353 2.884) 4.212 6.833 ( -1.726 -0.032 -2.449) 2.996 7.261 ( 0.797 0.153 0.839) 1.167 7.295 ( -0.675 0.662 0.588) 1.114 7.518 ( 0.577 0.215 0.857) 1.055 7.549 ( -0.795 0.245 -0.644) 1.052 7.862 ( 0.074 0.132 0.065) 0.165 7.871 ( -0.020 0.249 -0.077) 0.262 16.337 ( -0.517 -0.471 -0.085) 0.705 16.365 ( -0.563 0.635 1.563) 1.778 17.076 ( 1.115 1.912 0.621) 2.299 17.139 ( 0.191 1.520 -0.490) 1.608 17.785 ( 0.877 0.109 -0.692) 1.122 17.800 ( 1.199 -0.247 0.100) 1.228 18.720 ( 2.485 0.440 2.157) 3.319 18.798 ( -1.890 0.520 -2.417) 3.112 19.042 ( 4.127 0.195 2.218) 4.690 19.080 ( 1.469 0.257 -3.473) 3.780 19.689 ( 2.055 -0.586 3.168) 3.821 19.881 ( -4.322 1.023 -3.294) 5.530 ======================= Grid point 12 (8/93) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 4.481 -5.072 -1.339) 6.899 0.529 ( 4.975 -1.241 2.342) 5.637 0.683 ( 0.912 1.356 -0.380) 1.678 0.763 ( -1.085 3.238 1.708) 3.818 0.829 ( -2.329 1.220 -5.162) 5.794 0.935 ( -0.739 0.830 -3.387) 3.565 0.999 ( -2.264 1.808 0.274) 2.910 1.055 ( 4.875 -2.381 1.769) 5.707 1.078 ( 0.019 -1.143 0.623) 1.302 1.129 ( 1.534 -1.791 3.279) 4.039 1.179 ( 0.552 0.421 0.797) 1.057 1.304 ( -4.041 1.464 -2.303) 4.876 1.342 ( 1.690 0.412 0.071) 1.741 1.441 ( -0.097 0.501 -2.116) 2.177 1.472 ( 0.810 -1.025 2.604) 2.913 1.557 ( -2.255 -0.990 0.860) 2.609 1.680 ( 3.163 -0.745 0.855) 3.361 1.749 ( 0.736 0.394 1.305) 1.549 1.785 ( 1.640 2.070 -0.358) 2.665 1.958 ( -0.274 -0.424 -0.780) 0.930 2.110 ( -0.719 -1.242 -0.988) 1.742 2.144 ( 3.013 -1.091 3.443) 4.704 2.256 ( 7.597 -0.075 8.193) 11.173 2.289 ( -9.880 0.038 -10.108) 14.134 2.646 ( 0.289 -0.007 0.723) 0.779 2.681 ( 0.084 -0.523 -0.598) 0.799 2.854 ( 0.325 -0.037 0.038) 0.330 2.896 ( 0.176 -0.831 -0.105) 0.856 3.281 ( -0.253 0.056 -0.837) 0.876 3.288 ( -0.083 0.385 -0.525) 0.656 3.543 ( -1.424 0.345 -0.171) 1.475 3.615 ( 1.414 1.623 2.398) 3.222 3.683 ( -0.206 -0.129 -0.348) 0.424 3.724 ( -0.702 1.323 0.768) 1.683 3.945 ( 1.151 -0.841 2.416) 2.805 4.048 ( -2.033 0.545 -0.555) 2.177 4.359 ( 2.343 -1.073 1.794) 3.140 4.477 ( -0.488 1.548 -1.678) 2.335 4.725 ( -0.058 0.635 -0.090) 0.644 4.740 ( -0.677 0.310 -0.669) 1.001 5.213 ( -0.502 0.151 -0.073) 0.529 5.239 ( -0.803 -0.293 -0.157) 0.869 5.819 ( 1.664 0.277 1.872) 2.520 5.831 ( -2.095 0.247 -2.284) 3.109 6.510 ( -0.207 -0.255 0.627) 0.707 6.523 ( -1.074 0.004 -0.363) 1.134 6.799 ( -0.744 0.205 -1.327) 1.535 6.811 ( 1.247 0.164 0.947) 1.574 7.266 ( 0.615 0.315 0.680) 0.970 7.281 ( -0.260 0.624 0.052) 0.679 7.520 ( 0.242 0.408 0.448) 0.652 7.536 ( -0.485 0.198 -0.319) 0.613 7.859 ( 0.048 0.211 0.017) 0.217 7.865 ( 0.008 0.335 -0.027) 0.336 16.344 ( -0.506 -0.718 -0.194) 0.899 16.363 ( -0.090 0.002 0.769) 0.774 17.043 ( 0.849 2.796 0.397) 2.948 17.104 ( 0.266 2.236 -0.300) 2.272 17.789 ( 0.512 -0.204 -0.505) 0.747 17.815 ( 1.120 -0.182 0.243) 1.161 18.733 ( 1.258 0.984 0.924) 1.845 18.766 ( -0.381 0.747 -0.774) 1.141 19.070 ( 0.186 0.162 -2.511) 2.524 19.079 ( 3.503 0.380 2.229) 4.170 19.730 ( 1.679 -0.600 2.578) 3.134 19.812 ( -3.566 1.132 -2.832) 4.692 ======================= Grid point 13 (9/93) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( -0.908 1.868 -2.255) 3.066 0.593 ( 1.979 -3.990 -3.653) 5.760 0.677 ( -1.288 1.431 1.397) 2.379 0.741 ( 2.993 -0.276 -0.711) 3.088 0.769 ( -2.040 1.056 0.686) 2.397 0.923 ( 0.649 -1.499 -3.600) 3.953 0.964 ( -1.234 0.775 0.295) 1.487 1.068 ( -3.140 0.927 -2.003) 3.838 1.122 ( 3.437 -0.265 -0.087) 3.448 1.147 ( -0.920 0.125 -1.036) 1.391 1.191 ( 0.712 2.055 4.918) 5.377 1.228 ( -1.291 -0.286 0.682) 1.488 1.357 ( -2.716 0.053 -2.043) 3.400 1.413 ( 1.168 0.143 -0.651) 1.345 1.512 ( 1.144 -0.931 0.261) 1.498 1.540 ( -2.693 -0.379 0.323) 2.739 1.687 ( -2.346 -0.151 -3.976) 4.619 1.733 ( 0.662 2.604 -0.357) 2.710 1.824 ( 5.718 -0.176 5.295) 7.795 1.948 ( -1.625 -0.303 -2.236) 2.781 2.090 ( -5.185 -0.614 -4.298) 6.762 2.132 ( -6.517 -0.198 -7.348) 9.823 2.204 ( 3.442 -0.254 2.802) 4.446 2.441 ( 13.280 -0.401 14.902) 19.964 2.641 ( -1.568 -0.056 -1.203) 1.977 2.691 ( 1.061 0.020 0.813) 1.337 2.859 ( 0.516 -0.350 0.201) 0.655 2.923 ( 2.047 -0.264 2.247) 3.051 3.271 ( -0.978 -0.123 -1.375) 1.692 3.276 ( -0.653 0.178 -0.843) 1.081 3.520 ( -2.347 -0.037 -1.858) 2.994 3.603 ( 0.981 1.490 0.646) 1.897 3.674 ( -0.560 0.301 -0.616) 0.885 3.718 ( 1.264 0.642 2.556) 2.923 3.975 ( 0.241 -0.394 0.393) 0.606 4.022 ( -1.131 0.098 -0.151) 1.145 4.406 ( 1.945 -1.184 1.587) 2.775 4.431 ( -1.144 1.904 -1.549) 2.708 4.664 ( -4.859 0.262 -5.310) 7.203 4.770 ( 2.991 0.116 3.081) 4.295 5.158 ( -4.655 -0.261 -4.798) 6.690 5.291 ( 4.124 -0.191 4.801) 6.332 5.785 ( -2.513 0.310 -2.768) 3.751 5.854 ( 2.472 -0.069 2.781) 3.721 6.515 ( -0.383 -0.181 0.210) 0.473 6.520 ( 0.190 -0.256 0.434) 0.539 6.765 ( -2.619 0.105 -3.155) 4.102 6.835 ( 2.132 0.201 2.105) 3.003 7.264 ( 0.038 0.464 0.120) 0.481 7.272 ( 0.196 0.316 0.211) 0.427 7.512 ( -0.304 0.315 -0.445) 0.624 7.534 ( 0.146 0.057 0.459) 0.485 7.856 ( -0.001 0.152 -0.040) 0.158 7.860 ( 0.046 0.246 0.034) 0.252 16.351 ( -0.391 -0.607 -0.284) 0.776 16.367 ( 0.050 -0.098 0.365) 0.381 17.002 ( 0.346 2.182 0.115) 2.212 17.069 ( 0.243 1.671 -0.039) 1.689 17.793 ( 0.103 -0.177 -0.398) 0.447 17.824 ( 0.657 0.196 0.274) 0.739 18.714 ( -0.759 0.691 -1.018) 1.446 18.762 ( 1.481 0.824 1.444) 2.227 19.049 ( -1.013 0.470 -2.362) 2.613 19.106 ( 2.418 0.592 2.107) 3.262 19.761 ( 0.452 -0.905 0.881) 1.341 19.764 ( -1.322 0.799 -1.050) 1.868 ======================= Grid point 14 (10/93) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( -4.431 1.238 -3.559) 5.816 0.628 ( 0.125 0.555 -4.324) 4.361 0.638 ( -1.059 -0.138 2.094) 2.351 0.730 ( -1.897 2.229 -0.548) 2.978 0.799 ( 1.156 -3.005 -0.432) 3.249 0.942 ( -2.492 0.544 1.747) 3.091 0.974 ( 1.481 -4.017 -1.322) 4.481 1.008 ( -0.738 0.901 -1.925) 2.250 1.113 ( -1.331 0.786 -3.280) 3.626 1.152 ( 2.588 3.083 4.453) 6.003 1.162 ( 2.498 1.389 1.466) 3.212 1.236 ( -3.732 0.414 -2.718) 4.635 1.334 ( -1.113 -2.291 -1.495) 2.954 1.403 ( -1.919 1.889 0.273) 2.706 1.512 ( -0.074 1.623 -1.985) 2.565 1.545 ( -1.640 -2.127 -1.365) 3.013 1.627 ( -2.878 -0.638 -3.338) 4.454 1.715 ( 1.987 1.291 1.602) 2.860 1.872 ( 3.027 1.169 3.208) 4.563 1.937 ( -1.103 -1.105 -2.321) 2.797 2.037 ( -4.707 -0.186 -1.463) 4.933 2.081 ( -1.518 0.280 -3.909) 4.203 2.236 ( 2.515 1.336 2.619) 3.869 2.597 ( 4.478 0.221 3.889) 5.935 2.636 ( 2.848 -1.305 4.768) 5.705 2.706 ( 2.820 0.302 2.539) 3.807 2.879 ( 2.057 -0.210 2.132) 2.970 2.956 ( 2.776 0.232 3.185) 4.231 3.255 ( -2.105 -0.360 -2.428) 3.234 3.263 ( -1.237 -0.101 -1.039) 1.619 3.493 ( -2.524 -0.549 -2.788) 3.801 3.585 ( 0.305 1.205 -0.270) 1.272 3.670 ( 0.026 -0.326 -0.436) 0.545 3.736 ( 1.790 0.269 2.672) 3.227 3.953 ( -1.011 1.342 -1.335) 2.147 4.037 ( 0.173 -1.264 0.450) 1.353 4.380 ( -1.063 2.025 -1.087) 2.532 4.446 ( 0.942 -1.104 1.097) 1.820 4.602 ( -4.381 -0.457 -4.887) 6.579 4.804 ( 2.115 -0.103 2.175) 3.035 5.112 ( -3.212 -0.419 -3.475) 4.751 5.347 ( 3.455 -0.310 3.795) 5.141 5.753 ( -1.834 0.021 -2.044) 2.746 5.888 ( 2.041 -0.288 2.317) 3.101 6.516 ( -0.063 -0.138 0.084) 0.174 6.534 ( 0.841 -0.379 0.808) 1.227 6.727 ( -2.670 0.057 -2.939) 3.972 6.856 ( 1.422 0.098 1.531) 2.092 7.255 ( -0.198 0.390 -0.142) 0.460 7.272 ( 0.215 0.001 0.201) 0.295 7.503 ( -0.278 0.074 -0.535) 0.608 7.539 ( 0.246 -0.163 0.467) 0.552 7.855 ( -0.004 -0.065 -0.015) 0.066 7.857 ( 0.025 0.091 0.013) 0.096 16.354 ( -0.296 -0.163 -0.374) 0.504 16.369 ( 0.114 0.163 0.158) 0.254 16.979 ( -0.079 0.456 -0.061) 0.467 17.054 ( 0.118 0.084 0.119) 0.188 17.793 ( -0.189 0.007 -0.254) 0.317 17.820 ( 0.086 0.742 0.193) 0.771 18.695 ( -0.775 0.372 -0.786) 1.165 18.772 ( 1.345 -0.092 1.409) 1.950 19.015 ( -1.798 0.826 -2.088) 2.877 19.116 ( 1.145 0.940 1.574) 2.162 19.735 ( -0.736 1.089 -0.851) 1.566 19.796 ( 0.859 -2.056 0.868) 2.391 ======================= Grid point 15 (11/93) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.346 ( -5.205 2.686 -3.806) 6.985 0.563 ( -2.463 6.601 1.984) 7.320 0.648 ( -0.779 -1.679 2.122) 2.816 0.689 ( -0.773 -1.864 -6.346) 6.659 0.845 ( -1.352 -2.564 -0.535) 2.948 0.907 ( -1.229 5.812 2.805) 6.570 1.001 ( 0.771 -0.307 0.288) 0.878 1.039 ( -1.398 1.443 -4.363) 4.803 1.064 ( 2.273 -4.106 -0.047) 4.694 1.145 ( 2.640 2.756 3.045) 4.882 1.168 ( 1.953 0.409 0.270) 2.013 1.195 ( -2.364 -1.177 -3.123) 4.090 1.289 ( -5.376 3.787 -2.706) 7.111 1.380 ( -1.604 -2.550 -0.478) 3.050 1.466 ( 0.298 2.164 -0.833) 2.338 1.587 ( 0.832 -3.574 0.500) 3.704 1.652 ( 0.039 -2.863 -1.141) 3.082 1.731 ( 1.004 -0.962 1.678) 2.179 1.870 ( 1.005 1.874 1.471) 2.585 1.941 ( 0.281 -0.217 -0.451) 0.574 2.001 ( -2.836 0.699 0.261) 2.932 2.049 ( -0.304 0.855 -2.610) 2.763 2.213 ( 0.574 3.591 0.997) 3.771 2.601 ( -0.245 -0.679 -0.997) 1.230 2.678 ( 0.384 0.246 0.863) 0.976 2.776 ( 3.389 -0.915 3.778) 5.157 2.937 ( 6.412 -0.389 6.850) 9.391 2.986 ( 2.125 0.320 2.501) 3.298 3.224 ( -3.497 -0.465 -3.891) 5.252 3.252 ( -1.170 -0.409 -0.803) 1.477 3.476 ( -1.754 -0.914 -2.215) 2.970 3.567 ( -0.018 0.744 -0.402) 0.846 3.675 ( -0.189 -0.549 -0.642) 0.866 3.757 ( 1.300 0.170 1.430) 1.940 3.917 ( -0.440 1.362 -0.691) 1.590 4.060 ( 0.058 -1.137 -0.230) 1.162 4.334 ( -0.603 1.887 -0.524) 2.049 4.471 ( 0.065 -0.911 0.464) 1.024 4.570 ( -2.457 -1.233 -2.813) 3.933 4.826 ( 0.941 -0.083 1.047) 1.410 5.088 ( -1.506 -0.381 -1.749) 2.340 5.390 ( 2.036 -0.392 2.093) 2.946 5.737 ( -0.921 -0.358 -1.035) 1.431 5.917 ( 1.138 -0.387 1.305) 1.774 6.518 ( 0.123 0.048 0.007) 0.132 6.555 ( 1.019 -0.609 0.861) 1.467 6.695 ( -2.020 0.048 -2.047) 2.876 6.869 ( 0.701 -0.021 0.830) 1.086 7.247 ( -0.214 0.248 -0.161) 0.365 7.277 ( 0.102 -0.279 0.013) 0.298 7.500 ( -0.173 -0.081 -0.332) 0.383 7.547 ( 0.202 -0.420 0.262) 0.534 7.856 ( 0.002 -0.056 0.004) 0.057 7.859 ( -0.000 -0.301 -0.003) 0.301 16.347 ( -0.262 0.404 -0.453) 0.661 16.364 ( 0.106 0.482 0.051) 0.496 16.986 ( -0.213 -1.365 -0.092) 1.385 17.069 ( 0.015 -1.575 0.130) 1.580 17.788 ( -0.218 0.192 -0.091) 0.305 17.802 ( -0.273 1.121 0.058) 1.156 18.679 ( -0.573 0.384 -0.516) 0.861 18.804 ( 1.185 -1.577 1.200) 2.309 18.975 ( -1.764 0.950 -1.450) 2.474 19.107 ( 0.152 1.207 0.893) 1.509 19.700 ( -0.441 1.868 -0.681) 2.037 19.857 ( 0.931 -3.377 0.755) 3.584 ======================= Grid point 16 (12/93) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.235 ( 0.000 5.234 0.000) 5.234 0.403 ( 0.000 9.919 0.000) 9.919 0.616 ( 0.000 12.158 0.000) 12.158 0.705 ( -0.000 -3.657 -0.000) 3.657 0.787 ( -0.000 -0.892 -0.000) 0.892 0.904 ( -0.000 -3.167 -0.000) 3.167 1.016 ( 0.000 0.260 0.000) 0.260 1.020 ( -0.000 -0.147 -0.000) 0.147 1.118 ( 0.000 2.488 0.000) 2.488 1.143 ( -0.000 -1.765 -0.000) 1.765 1.172 ( 0.000 0.104 0.000) 0.104 1.184 ( 0.000 2.343 0.000) 2.343 1.210 ( -0.000 -2.513 -0.000) 2.513 1.422 ( -0.000 -2.496 -0.000) 2.496 1.432 ( 0.000 1.405 0.000) 1.405 1.678 ( -0.000 -4.566 -0.000) 4.566 1.686 ( -0.000 -1.863 -0.000) 1.863 1.781 ( -0.000 -3.454 -0.000) 3.454 1.843 ( 0.000 1.773 0.000) 1.773 1.936 ( 0.000 1.283 0.000) 1.283 1.967 ( 0.000 1.368 0.000) 1.368 2.021 ( 0.000 1.381 0.000) 1.381 2.140 ( 0.000 4.614 0.000) 4.614 2.614 ( -0.000 -0.890 -0.000) 0.890 2.676 ( 0.000 0.128 0.000) 0.128 2.802 ( -0.000 -0.044 -0.000) 0.044 2.998 ( 0.000 0.179 0.000) 0.179 3.017 ( -0.000 -1.325 -0.000) 1.325 3.194 ( -0.000 -0.118 -0.000) 0.118 3.254 ( -0.000 -0.521 -0.000) 0.521 3.480 ( -0.000 -1.016 -0.000) 1.016 3.556 ( 0.000 0.419 0.000) 0.419 3.681 ( -0.000 -0.436 -0.000) 0.436 3.761 ( 0.000 0.270 0.000) 0.270 3.893 ( 0.000 1.000 0.000) 1.000 4.077 ( -0.000 -0.908 -0.000) 0.908 4.300 ( 0.000 1.450 0.000) 1.450 4.486 ( -0.000 -0.778 -0.000) 0.778 4.577 ( -0.000 -1.355 -0.000) 1.355 4.833 ( 0.000 0.003 0.000) 0.003 5.084 ( -0.000 -0.274 -0.000) 0.274 5.410 ( -0.000 -0.300 -0.000) 0.300 5.740 ( -0.000 -0.542 -0.000) 0.542 5.931 ( -0.000 -0.356 -0.000) 0.356 6.516 ( 0.000 0.200 0.000) 0.200 6.574 ( -0.000 -0.681 -0.000) 0.681 6.679 ( 0.000 0.079 0.000) 0.079 6.875 ( -0.000 -0.091 -0.000) 0.091 7.243 ( 0.000 0.087 0.000) 0.087 7.283 ( -0.000 -0.378 -0.000) 0.378 7.500 ( -0.000 -0.145 -0.000) 0.145 7.558 ( -0.000 -0.493 -0.000) 0.493 7.858 ( -0.000 -0.137 -0.000) 0.137 7.865 ( -0.000 -0.392 -0.000) 0.392 16.333 ( 0.000 0.751 0.000) 0.751 16.355 ( 0.000 0.630 0.000) 0.630 17.019 ( -0.000 -2.235 -0.000) 2.235 17.106 ( -0.000 -2.269 -0.000) 2.269 17.779 ( 0.000 1.062 0.000) 1.062 17.784 ( 0.000 0.298 0.000) 0.298 18.670 ( 0.000 0.168 0.000) 0.168 18.849 ( -0.000 -2.167 -0.000) 2.167 18.946 ( 0.000 0.783 0.000) 0.783 19.088 ( 0.000 1.184 0.000) 1.184 19.661 ( 0.000 1.874 0.000) 1.874 19.926 ( -0.000 -3.357 -0.000) 3.357 ======================= Grid point 19 (13/93) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( 7.014 -0.000 7.705) 10.419 0.485 ( 7.272 -0.000 7.226) 10.251 0.717 ( 0.982 -0.000 -4.034) 4.152 0.828 ( -0.332 0.000 -2.794) 2.814 0.945 ( 2.970 -0.000 -3.832) 4.848 0.965 ( -1.064 0.000 -0.302) 1.106 0.972 ( 0.804 -0.000 0.774) 1.116 0.992 ( -3.292 0.000 4.375) 5.475 1.076 ( 0.510 -0.000 1.449) 1.536 1.103 ( 0.957 -0.000 -2.957) 3.108 1.116 ( 0.589 -0.000 -0.883) 1.061 1.315 ( 3.658 -0.000 0.201) 3.664 1.367 ( -4.956 0.000 -5.108) 7.117 1.422 ( -0.605 0.000 -2.871) 2.934 1.455 ( 6.335 -0.000 4.829) 7.966 1.534 ( 0.415 -0.000 3.883) 3.905 1.679 ( -4.097 0.000 -1.391) 4.327 1.764 ( 2.940 -0.000 3.160) 4.316 1.872 ( 1.326 -0.000 2.389) 2.733 1.910 ( 0.219 -0.000 -2.019) 2.031 2.086 ( 1.106 -0.000 0.794) 1.362 2.109 ( 2.858 -0.000 2.518) 3.809 2.257 ( 12.449 -0.000 13.745) 18.545 2.286 ( -15.116 0.000 -16.218) 22.170 2.655 ( 1.924 -0.000 1.387) 2.372 2.659 ( -1.027 0.000 -1.390) 1.728 2.861 ( 2.724 -0.000 2.940) 4.008 2.870 ( -1.721 0.000 -2.618) 3.134 3.283 ( -0.533 0.000 -1.324) 1.427 3.296 ( -0.023 0.000 -0.661) 0.662 3.554 ( -1.961 0.000 0.521) 2.029 3.653 ( 2.229 -0.000 4.354) 4.891 3.685 ( 0.166 -0.000 -0.938) 0.952 3.741 ( -1.800 0.000 -0.635) 1.909 3.942 ( 0.002 -0.000 3.290) 3.290 4.053 ( -2.462 0.000 0.054) 2.463 4.342 ( 2.752 -0.000 1.960) 3.379 4.508 ( -0.176 0.000 -1.817) 1.826 4.742 ( -4.022 0.000 -4.401) 5.962 4.745 ( 2.815 -0.000 3.328) 4.359 5.221 ( 4.367 -0.000 5.582) 7.087 5.228 ( -6.192 0.000 -5.594) 8.345 5.824 ( 2.219 -0.000 2.480) 3.328 5.837 ( -2.985 0.000 -3.212) 4.385 6.505 ( -0.223 0.000 0.998) 1.023 6.523 ( -1.639 0.000 -0.615) 1.751 6.804 ( -2.083 0.000 -3.034) 3.680 6.815 ( 2.687 -0.000 2.466) 3.647 7.274 ( 0.810 -0.000 0.949) 1.248 7.297 ( -0.750 0.000 0.300) 0.808 7.530 ( 0.618 -0.000 0.907) 1.097 7.541 ( -0.954 0.000 -0.729) 1.201 7.864 ( 0.103 -0.000 0.087) 0.135 7.872 ( -0.032 0.000 -0.102) 0.107 16.328 ( -0.652 0.000 -0.131) 0.665 16.368 ( -1.114 0.000 0.838) 1.394 17.108 ( 1.251 -0.000 0.779) 1.474 17.152 ( 0.256 -0.000 -0.584) 0.637 17.789 ( 0.701 -0.000 -0.911) 1.149 17.808 ( 1.383 -0.000 0.210) 1.399 18.760 ( 3.024 -0.000 2.688) 4.046 18.777 ( -1.523 0.000 -2.339) 2.791 19.078 ( 1.174 -0.000 -3.473) 3.666 19.089 ( 4.097 -0.000 2.072) 4.591 19.720 ( 2.348 -0.000 3.617) 4.312 19.833 ( -4.910 0.000 -3.770) 6.190 ======================= Grid point 20 (14/93) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 5.073 -0.531 4.548) 6.834 0.577 ( 4.135 -0.265 5.512) 6.896 0.710 ( 2.342 1.084 -1.995) 3.262 0.788 ( -2.947 0.928 -2.092) 3.731 0.862 ( 0.084 5.292 -1.851) 5.607 0.926 ( -0.219 0.351 -2.714) 2.746 1.001 ( -1.951 0.335 -0.054) 1.980 1.029 ( -1.251 -2.657 -0.971) 3.093 1.074 ( 2.196 -0.205 0.089) 2.207 1.112 ( 0.466 -2.612 -0.441) 2.690 1.171 ( 2.541 -1.737 0.274) 3.090 1.265 ( -6.368 1.826 -5.225) 8.437 1.372 ( 3.337 -2.049 0.092) 3.917 1.408 ( -0.991 -0.342 -2.692) 2.889 1.480 ( 0.780 2.173 -0.005) 2.309 1.570 ( -0.234 -0.361 5.902) 5.918 1.651 ( -1.857 -0.895 -2.462) 3.211 1.806 ( 4.977 0.876 3.740) 6.287 1.851 ( 0.937 2.339 1.328) 2.848 1.929 ( -1.651 -1.305 -0.953) 2.311 2.078 ( -5.312 0.086 -5.052) 7.332 2.104 ( -5.558 -1.157 -5.600) 7.975 2.177 ( 2.995 -0.729 0.183) 3.088 2.433 ( 12.939 -0.098 14.805) 19.662 2.640 ( -1.781 0.035 -1.282) 2.194 2.688 ( 3.058 -0.166 2.061) 3.692 2.849 ( -0.787 -0.072 -1.058) 1.320 2.907 ( 3.289 -0.449 3.242) 4.640 3.268 ( -1.308 -0.059 -1.886) 2.296 3.287 ( -0.492 0.273 -1.239) 1.360 3.530 ( -2.868 0.358 -0.918) 3.033 3.666 ( 1.018 1.629 1.170) 2.249 3.684 ( 0.406 0.104 0.854) 0.952 3.737 ( 0.230 -0.046 0.825) 0.858 3.954 ( 0.077 -0.137 2.354) 2.359 4.032 ( -2.357 0.072 -0.417) 2.395 4.378 ( 3.030 -0.340 2.016) 3.655 4.485 ( -1.046 0.904 -1.942) 2.384 4.678 ( -5.167 0.304 -5.544) 7.585 4.778 ( 2.619 0.212 2.678) 3.752 5.152 ( -5.649 -0.061 -5.299) 7.745 5.283 ( 4.087 -0.167 5.075) 6.519 5.798 ( -2.571 0.248 -2.728) 3.756 5.853 ( 2.159 -0.016 2.412) 3.238 6.509 ( -1.100 -0.103 -0.124) 1.111 6.512 ( 0.089 -0.154 1.082) 1.096 6.770 ( -2.391 0.100 -3.330) 4.101 6.844 ( 2.205 0.190 1.971) 2.964 7.281 ( 0.588 0.325 0.760) 1.014 7.289 ( -0.319 0.424 0.062) 0.535 7.526 ( -0.707 0.339 -0.558) 0.962 7.538 ( 0.346 0.091 0.657) 0.748 7.864 ( 0.080 0.181 0.054) 0.205 7.869 ( -0.012 0.206 -0.067) 0.217 16.326 ( -0.609 -0.525 -0.197) 0.827 16.363 ( -0.600 -0.021 0.452) 0.751 17.100 ( 0.974 2.229 0.520) 2.488 17.139 ( 0.335 1.407 -0.361) 1.491 17.790 ( 0.556 0.029 -0.619) 0.833 17.822 ( 1.268 -0.160 0.226) 1.298 18.748 ( -1.028 0.805 -1.745) 2.179 18.792 ( 2.618 0.537 2.406) 3.596 19.067 ( 0.525 0.401 -2.630) 2.712 19.126 ( 3.357 0.391 1.928) 3.891 19.752 ( 1.154 0.200 2.221) 2.511 19.778 ( -3.388 -0.001 -2.527) 4.227 ======================= Grid point 21 (15/93) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 2.480 0.801 -0.379) 2.634 0.559 ( 0.301 1.721 -0.022) 1.747 0.711 ( 0.384 1.382 2.750) 3.102 0.762 ( -0.300 0.739 -0.063) 0.800 0.776 ( 0.991 1.884 -2.534) 3.309 0.917 ( 1.553 0.418 -2.326) 2.828 0.965 ( -1.295 0.774 -1.273) 1.973 1.028 ( -4.103 -0.055 -2.031) 4.579 1.104 ( -3.339 -0.275 -3.810) 5.073 1.135 ( 2.317 -3.039 0.294) 3.833 1.195 ( -0.918 -1.489 0.783) 1.916 1.237 ( 0.972 -0.566 0.583) 1.267 1.366 ( -0.614 3.185 -0.846) 3.352 1.424 ( 2.024 0.019 -1.568) 2.560 1.462 ( -1.173 -2.501 -0.047) 2.763 1.563 ( -1.710 2.019 4.284) 5.035 1.641 ( -1.938 -0.219 -4.414) 4.825 1.791 ( -0.651 2.142 0.135) 2.243 1.881 ( 2.883 -0.613 1.463) 3.290 1.900 ( -1.495 0.182 -2.647) 3.045 2.023 ( -2.956 -0.760 -0.850) 3.168 2.079 ( -1.696 -0.189 -2.972) 3.427 2.234 ( 3.644 -1.063 2.204) 4.389 2.594 ( 8.887 -0.540 10.693) 13.914 2.614 ( -2.165 0.145 -1.502) 2.639 2.723 ( 3.322 0.501 1.997) 3.909 2.860 ( 1.875 -0.608 2.564) 3.234 2.957 ( 3.361 -0.210 3.354) 4.753 3.244 ( -2.433 -0.227 -2.865) 3.766 3.269 ( -0.927 0.353 -1.452) 1.758 3.492 ( -2.828 0.346 -1.944) 3.449 3.645 ( 0.844 1.861 0.197) 2.053 3.681 ( 0.248 0.726 0.514) 0.923 3.749 ( 1.196 0.272 2.317) 2.622 3.971 ( 0.181 -0.584 0.694) 0.925 4.009 ( -1.896 0.107 -0.410) 1.942 4.418 ( 2.426 -0.443 1.640) 2.961 4.445 ( -1.147 1.502 -1.449) 2.382 4.602 ( -5.129 0.293 -5.542) 7.557 4.806 ( 2.128 0.151 1.989) 2.916 5.094 ( -4.067 -0.494 -3.913) 5.665 5.337 ( 3.125 -0.196 3.784) 4.911 5.762 ( -1.885 0.385 -2.005) 2.779 5.881 ( 1.771 -0.132 1.979) 2.659 6.505 ( -0.682 -0.402 -0.059) 0.794 6.524 ( 0.665 -0.141 1.312) 1.477 6.732 ( -2.392 0.172 -3.117) 3.933 6.863 ( 1.523 0.252 1.393) 2.080 7.276 ( -0.019 0.644 0.079) 0.649 7.283 ( 0.290 0.443 0.361) 0.641 7.512 ( -0.501 0.339 -0.518) 0.796 7.540 ( 0.251 0.198 0.534) 0.622 7.860 ( 0.015 0.278 -0.019) 0.279 7.865 ( 0.039 0.276 0.011) 0.279 16.333 ( -0.411 -0.803 -0.209) 0.926 16.364 ( -0.200 -0.271 0.236) 0.411 17.057 ( 0.471 3.180 0.161) 3.219 17.108 ( 0.330 2.207 -0.056) 2.233 17.791 ( 0.259 -0.027 -0.396) 0.474 17.834 ( 0.819 0.059 0.222) 0.851 18.717 ( -0.782 0.918 -1.188) 1.693 18.804 ( 1.888 1.296 1.860) 2.950 19.047 ( -0.225 0.819 -1.944) 2.121 19.147 ( 2.174 0.746 1.555) 2.776 19.730 ( -2.376 -0.389 -1.936) 3.089 19.782 ( 1.102 0.253 1.663) 2.011 ======================= Grid point 22 (16/93) ======================= q-point: ( 0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( -2.337 3.839 -2.322) 5.059 0.606 ( 2.263 -0.937 -2.202) 3.294 0.657 ( -1.137 2.367 1.334) 2.945 0.754 ( -0.860 0.910 0.289) 1.285 0.764 ( -0.357 0.639 -2.940) 3.030 0.919 ( -0.155 -2.229 -1.160) 2.518 0.958 ( 1.716 0.192 3.425) 3.836 0.998 ( -1.423 -0.531 -0.109) 1.523 1.086 ( -1.215 -0.780 -3.613) 3.891 1.180 ( -2.879 0.115 -1.653) 3.322 1.208 ( 2.782 -0.504 -0.514) 2.874 1.254 ( -1.199 -1.475 1.970) 2.738 1.299 ( 1.186 3.864 0.567) 4.081 1.418 ( -0.617 0.736 -0.187) 0.979 1.512 ( 0.272 -0.903 0.707) 1.179 1.531 ( -0.620 1.420 0.565) 1.649 1.574 ( -3.380 0.348 -4.226) 5.423 1.766 ( 0.873 1.610 0.917) 2.049 1.877 ( -0.939 -2.047 -2.804) 3.596 1.923 ( 1.806 0.635 1.420) 2.383 2.015 ( -1.358 0.276 1.183) 1.822 2.060 ( -0.653 -0.271 -2.046) 2.164 2.279 ( 2.118 0.042 1.680) 2.704 2.586 ( -1.852 -0.153 -1.515) 2.397 2.687 ( 2.886 0.049 3.747) 4.730 2.745 ( 1.818 -0.439 1.136) 2.188 2.925 ( 5.678 -0.244 6.436) 8.586 2.996 ( 2.277 0.102 2.419) 3.324 3.208 ( -3.498 -0.408 -3.933) 5.279 3.249 ( -1.002 0.222 -1.121) 1.519 3.460 ( -1.703 0.038 -1.602) 2.338 3.616 ( 0.294 1.922 -0.080) 1.946 3.673 ( 0.282 0.553 0.146) 0.638 3.765 ( 1.150 0.239 1.917) 2.249 3.964 ( -0.380 1.087 -0.610) 1.303 4.012 ( -0.576 -1.437 0.114) 1.552 4.403 ( -0.650 1.814 -0.645) 2.032 4.446 ( 1.152 -0.389 0.873) 1.497 4.543 ( -3.195 -0.240 -3.521) 4.760 4.825 ( 1.149 0.047 1.078) 1.576 5.067 ( -1.951 -0.761 -1.944) 2.857 5.376 ( 1.745 -0.345 2.037) 2.704 5.737 ( -0.988 0.299 -1.079) 1.493 5.904 ( 1.033 -0.289 1.163) 1.582 6.510 ( -0.198 -0.473 0.057) 0.516 6.539 ( 0.708 -0.234 0.922) 1.185 6.699 ( -1.707 0.180 -2.056) 2.678 6.873 ( 0.751 0.217 0.733) 1.072 7.264 ( -0.031 0.646 -0.012) 0.647 7.278 ( 0.145 0.354 0.169) 0.418 7.502 ( -0.207 0.221 -0.306) 0.431 7.541 ( 0.119 0.074 0.281) 0.314 7.856 ( -0.003 0.161 -0.020) 0.163 7.861 ( 0.029 0.250 0.017) 0.252 16.344 ( -0.188 -0.633 -0.150) 0.677 16.369 ( -0.019 -0.203 0.093) 0.224 17.007 ( 0.103 2.493 0.010) 2.495 17.073 ( 0.152 1.728 0.040) 1.735 17.791 ( 0.007 0.005 -0.196) 0.196 17.834 ( 0.283 0.528 0.133) 0.614 18.695 ( -0.401 0.543 -0.503) 0.842 18.798 ( 0.919 1.242 0.957) 1.817 19.017 ( -0.583 1.234 -1.155) 1.788 19.149 ( 0.905 1.058 0.840) 1.626 19.725 ( -0.842 -1.011 -0.758) 1.518 19.788 ( 0.522 0.180 0.675) 0.872 ======================= Grid point 23 (17/93) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( 0.000 2.587 0.000) 2.587 0.605 ( -0.000 -0.077 -0.000) 0.077 0.648 ( -0.000 -0.430 -0.000) 0.430 0.682 ( 0.000 4.467 0.000) 4.467 0.781 ( -0.000 -2.665 -0.000) 2.665 0.985 ( -0.000 -4.297 -0.000) 4.297 0.993 ( -0.000 -0.899 -0.000) 0.899 0.997 ( 0.000 0.487 0.000) 0.487 1.051 ( 0.000 2.542 0.000) 2.542 1.157 ( -0.000 -0.459 -0.000) 0.459 1.198 ( 0.000 2.011 0.000) 2.011 1.244 ( 0.000 3.859 0.000) 3.859 1.301 ( -0.000 -2.496 -0.000) 2.496 1.351 ( 0.000 4.277 0.000) 4.277 1.503 ( 0.000 1.945 0.000) 1.945 1.519 ( -0.000 -2.944 -0.000) 2.944 1.601 ( -0.000 -2.981 -0.000) 2.981 1.744 ( 0.000 1.321 0.000) 1.321 1.911 ( 0.000 1.612 0.000) 1.612 1.913 ( -0.000 -2.414 -0.000) 2.414 2.003 ( 0.000 0.628 0.000) 0.628 2.054 ( 0.000 0.309 0.000) 0.309 2.273 ( 0.000 2.143 0.000) 2.143 2.582 ( -0.000 -0.715 -0.000) 0.715 2.692 ( 0.000 0.730 0.000) 0.730 2.777 ( -0.000 -1.246 -0.000) 1.246 2.982 ( -0.000 -0.463 -0.000) 0.463 3.008 ( 0.000 0.300 0.000) 0.300 3.184 ( -0.000 -0.430 -0.000) 0.430 3.240 ( -0.000 -0.110 -0.000) 0.110 3.452 ( -0.000 -0.409 -0.000) 0.409 3.586 ( 0.000 1.463 0.000) 1.463 3.669 ( 0.000 0.027 0.000) 0.027 3.771 ( 0.000 0.252 0.000) 0.252 3.938 ( 0.000 1.383 0.000) 1.383 4.036 ( -0.000 -1.395 -0.000) 1.395 4.365 ( 0.000 1.992 0.000) 1.992 4.460 ( -0.000 -0.548 -0.000) 0.548 4.532 ( -0.000 -0.939 -0.000) 0.939 4.832 ( -0.000 -0.013 -0.000) 0.013 5.068 ( -0.000 -0.650 -0.000) 0.650 5.396 ( -0.000 -0.465 -0.000) 0.465 5.727 ( -0.000 -0.020 -0.000) 0.020 5.918 ( -0.000 -0.371 -0.000) 0.371 6.516 ( -0.000 -0.264 -0.000) 0.264 6.551 ( -0.000 -0.500 -0.000) 0.500 6.683 ( 0.000 0.170 0.000) 0.170 6.875 ( 0.000 0.101 0.000) 0.101 7.253 ( 0.000 0.516 0.000) 0.516 7.275 ( 0.000 0.052 0.000) 0.052 7.498 ( 0.000 0.070 0.000) 0.070 7.543 ( -0.000 -0.200 -0.000) 0.200 7.855 ( -0.000 -0.080 -0.000) 0.080 7.857 ( 0.000 0.118 0.000) 0.118 16.349 ( -0.000 -0.082 -0.000) 0.082 16.370 ( 0.000 0.123 0.000) 0.123 16.978 ( 0.000 0.632 0.000) 0.632 17.056 ( 0.000 0.126 0.000) 0.126 17.789 ( 0.000 0.086 0.000) 0.086 17.821 ( 0.000 1.000 0.000) 1.000 18.684 ( 0.000 0.456 0.000) 0.456 18.793 ( -0.000 -0.215 -0.000) 0.215 18.987 ( 0.000 1.392 0.000) 1.392 19.133 ( 0.000 1.260 0.000) 1.260 19.725 ( 0.000 0.920 0.000) 0.920 19.808 ( -0.000 -2.298 -0.000) 2.298 ======================= Grid point 28 (18/93) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 4.642 -0.000 6.579) 8.052 0.632 ( 2.278 -0.000 6.600) 6.982 0.746 ( 4.195 -0.000 -0.963) 4.304 0.761 ( -2.235 0.000 -1.096) 2.489 0.911 ( 1.674 -0.000 -4.977) 5.251 0.916 ( -3.578 0.000 -2.765) 4.523 0.975 ( -1.238 0.000 -1.642) 2.057 0.996 ( -0.138 0.000 1.120) 1.128 1.040 ( -1.983 0.000 -1.685) 2.602 1.098 ( -2.488 0.000 -2.460) 3.499 1.173 ( 3.804 -0.000 0.150) 3.807 1.222 ( -3.629 0.000 -3.462) 5.015 1.336 ( 0.615 -0.000 -3.766) 3.816 1.422 ( 2.885 -0.000 0.479) 2.925 1.539 ( -2.117 0.000 -0.663) 2.219 1.551 ( 2.178 -0.000 1.348) 2.561 1.628 ( -2.815 0.000 1.911) 3.402 1.827 ( -6.885 0.000 -4.544) 8.249 1.870 ( 4.316 -0.000 3.411) 5.501 1.937 ( 2.655 -0.000 3.317) 4.248 1.986 ( -4.577 0.000 -4.520) 6.433 2.076 ( -1.047 0.000 -1.761) 2.049 2.205 ( 4.017 -0.000 1.380) 4.248 2.585 ( 8.661 -0.000 10.065) 13.279 2.617 ( -2.269 0.000 -1.397) 2.665 2.734 ( 4.352 -0.000 2.375) 4.958 2.849 ( 1.761 -0.000 2.903) 3.395 2.950 ( 3.652 -0.000 3.577) 5.112 3.240 ( -2.546 0.000 -2.955) 3.901 3.277 ( -0.778 0.000 -1.624) 1.801 3.501 ( -3.121 0.000 -1.550) 3.485 3.680 ( 0.156 -0.000 -0.519) 0.542 3.709 ( 0.701 -0.000 2.369) 2.471 3.746 ( 1.900 -0.000 1.067) 2.179 3.957 ( -1.060 0.000 1.427) 1.778 4.013 ( -1.838 0.000 -0.382) 1.877 4.411 ( 3.076 -0.000 1.927) 3.630 4.474 ( -1.318 0.000 -1.715) 2.163 4.609 ( -5.358 0.000 -5.693) 7.818 4.809 ( 1.982 -0.000 1.795) 2.674 5.085 ( -4.675 0.000 -4.279) 6.338 5.334 ( 3.171 -0.000 3.916) 5.038 5.771 ( -1.879 0.000 -1.924) 2.689 5.879 ( 1.632 -0.000 1.799) 2.429 6.496 ( -1.025 0.000 -0.302) 1.069 6.522 ( 0.721 -0.000 1.769) 1.911 6.736 ( -2.292 0.000 -3.218) 3.951 6.868 ( 1.524 -0.000 1.325) 2.020 7.290 ( -0.236 0.000 -0.008) 0.236 7.292 ( 0.448 -0.000 0.616) 0.762 7.520 ( -0.730 0.000 -0.526) 0.899 7.545 ( 0.369 -0.000 0.573) 0.681 7.867 ( 0.081 -0.000 0.063) 0.102 7.871 ( -0.027 0.000 -0.075) 0.080 16.316 ( -0.527 0.000 -0.185) 0.559 16.359 ( -0.571 0.000 0.186) 0.600 17.132 ( 0.833 -0.000 0.519) 0.982 17.152 ( 0.230 -0.000 -0.386) 0.449 17.792 ( 0.415 -0.000 -0.485) 0.638 17.832 ( 1.108 -0.000 0.206) 1.127 18.739 ( -0.806 0.000 -1.451) 1.660 18.831 ( 2.383 -0.000 2.308) 3.318 19.063 ( 0.347 -0.000 -2.122) 2.150 19.162 ( 2.521 -0.000 1.495) 2.931 19.729 ( -3.440 0.000 -2.810) 4.442 19.783 ( 1.583 -0.000 2.478) 2.940 ======================= Grid point 29 (19/93) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 3.861 1.526 3.816) 5.639 0.624 ( -0.247 3.554 2.057) 4.114 0.759 ( 2.598 0.763 4.879) 5.580 0.771 ( 0.982 0.572 -0.209) 1.156 0.813 ( -1.821 3.575 -4.749) 6.217 0.898 ( -2.995 -0.347 -5.033) 5.867 0.965 ( 1.437 -0.146 -1.091) 1.810 1.003 ( -0.734 0.116 0.005) 0.743 1.046 ( -4.052 -0.150 -2.903) 4.987 1.071 ( -0.795 -4.249 -0.299) 4.333 1.173 ( -0.014 0.416 -0.350) 0.544 1.242 ( 1.671 -1.870 0.266) 2.522 1.340 ( -1.003 -1.835 -2.618) 3.350 1.447 ( 3.386 0.617 -0.674) 3.507 1.476 ( -0.816 2.445 0.791) 2.696 1.593 ( -2.021 -0.035 3.865) 4.362 1.607 ( -0.262 -0.170 -2.845) 2.862 1.760 ( -4.264 -0.085 -2.504) 4.945 1.907 ( 1.570 1.721 0.701) 2.433 1.922 ( 0.935 0.404 0.798) 1.294 1.999 ( 0.816 -1.517 1.655) 2.388 2.054 ( -1.641 0.175 -2.211) 2.759 2.249 ( 2.608 -0.961 1.133) 3.001 2.591 ( -1.801 0.285 -1.016) 2.087 2.672 ( 3.951 -0.574 5.007) 6.404 2.748 ( -0.065 0.285 -1.809) 1.832 2.922 ( 6.933 0.001 8.204) 10.741 2.992 ( 2.406 -0.179 2.438) 3.431 3.198 ( -3.723 -0.145 -4.064) 5.514 3.261 ( -0.744 0.295 -1.267) 1.498 3.470 ( -1.908 0.308 -1.259) 2.307 3.673 ( 0.153 0.797 -0.243) 0.847 3.708 ( 0.513 1.158 1.012) 1.622 3.770 ( 1.563 -0.011 1.474) 2.148 3.959 ( -0.761 -0.840 0.345) 1.185 3.997 ( -1.162 0.311 -0.358) 1.255 4.441 ( 1.985 0.061 1.286) 2.366 4.452 ( -0.728 0.720 -0.860) 1.337 4.545 ( -3.727 0.173 -3.943) 5.428 4.828 ( 1.117 0.070 0.947) 1.466 5.042 ( -2.536 -0.467 -2.306) 3.459 5.369 ( 1.685 -0.071 2.075) 2.674 5.749 ( -0.987 0.270 -1.005) 1.434 5.897 ( 0.894 -0.125 0.981) 1.333 6.492 ( -0.497 -0.369 -0.115) 0.629 6.536 ( 0.740 0.031 1.359) 1.548 6.705 ( -1.600 0.119 -2.194) 2.718 6.881 ( 0.775 0.165 0.676) 1.042 7.285 ( -0.058 0.407 -0.002) 0.411 7.294 ( 0.207 0.340 0.292) 0.494 7.511 ( -0.374 0.192 -0.290) 0.511 7.548 ( 0.174 0.193 0.300) 0.397 7.865 ( 0.022 0.243 0.007) 0.244 7.869 ( 0.009 0.142 -0.013) 0.143 16.317 ( -0.276 -0.576 -0.119) 0.649 16.358 ( -0.236 -0.255 0.079) 0.356 17.114 ( 0.331 2.504 0.130) 2.529 17.143 ( 0.211 1.256 -0.060) 1.275 17.792 ( 0.199 0.057 -0.237) 0.315 17.841 ( 0.578 -0.029 0.124) 0.592 18.722 ( -0.430 0.693 -0.746) 1.105 18.847 ( 1.298 0.943 1.315) 2.075 19.052 ( 0.028 0.587 -1.179) 1.318 19.179 ( 1.278 0.525 0.854) 1.624 19.698 ( -1.710 -0.251 -1.437) 2.248 19.801 ( 0.786 0.180 1.218) 1.461 ======================= Grid point 30 (20/93) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 0.000 5.741 0.000) 5.741 0.624 ( 0.000 0.983 0.000) 0.983 0.702 ( 0.000 3.324 0.000) 3.324 0.758 ( 0.000 1.025 0.000) 1.025 0.793 ( 0.000 1.724 0.000) 1.724 0.876 ( -0.000 -1.609 -0.000) 1.609 0.978 ( -0.000 -0.444 -0.000) 0.444 0.990 ( 0.000 0.870 0.000) 0.870 1.036 ( -0.000 -2.059 -0.000) 2.059 1.158 ( -0.000 -4.917 -0.000) 4.917 1.162 ( 0.000 0.404 0.000) 0.404 1.261 ( 0.000 0.772 0.000) 0.772 1.353 ( 0.000 0.231 0.000) 0.231 1.430 ( 0.000 1.170 0.000) 1.170 1.481 ( -0.000 -1.866 -0.000) 1.866 1.564 ( 0.000 1.704 0.000) 1.704 1.584 ( 0.000 2.736 0.000) 2.736 1.759 ( -0.000 -2.061 -0.000) 2.061 1.868 ( 0.000 1.974 0.000) 1.974 1.940 ( -0.000 -0.161 -0.000) 0.161 2.024 ( 0.000 0.704 0.000) 0.704 2.038 ( -0.000 -1.114 -0.000) 1.114 2.283 ( -0.000 -1.045 -0.000) 1.045 2.574 ( 0.000 0.249 0.000) 0.249 2.721 ( 0.000 0.820 0.000) 0.820 2.728 ( -0.000 -1.369 -0.000) 1.369 2.980 ( 0.000 0.215 0.000) 0.215 3.012 ( -0.000 -0.107 -0.000) 0.107 3.168 ( -0.000 -0.371 -0.000) 0.371 3.247 ( 0.000 0.418 0.000) 0.418 3.453 ( 0.000 0.339 0.000) 0.339 3.651 ( 0.000 1.695 0.000) 1.695 3.691 ( 0.000 1.158 0.000) 1.158 3.779 ( 0.000 0.205 0.000) 0.205 3.980 ( 0.000 0.864 0.000) 0.864 3.981 ( -0.000 -1.600 -0.000) 1.600 4.427 ( 0.000 1.326 0.000) 1.326 4.453 ( 0.000 0.096 0.000) 0.096 4.517 ( -0.000 -0.007 -0.000) 0.007 4.834 ( 0.000 0.083 0.000) 0.083 5.039 ( -0.000 -0.853 -0.000) 0.853 5.383 ( -0.000 -0.202 -0.000) 0.202 5.737 ( 0.000 0.407 0.000) 0.407 5.906 ( -0.000 -0.249 -0.000) 0.249 6.499 ( -0.000 -0.595 -0.000) 0.595 6.543 ( -0.000 -0.002 -0.000) 0.002 6.690 ( 0.000 0.184 0.000) 0.184 6.882 ( 0.000 0.247 0.000) 0.247 7.275 ( 0.000 0.634 0.000) 0.634 7.287 ( 0.000 0.500 0.000) 0.500 7.505 ( 0.000 0.257 0.000) 0.257 7.545 ( 0.000 0.239 0.000) 0.239 7.860 ( 0.000 0.297 0.000) 0.297 7.866 ( 0.000 0.258 0.000) 0.258 16.329 ( -0.000 -0.841 -0.000) 0.841 16.364 ( -0.000 -0.382 -0.000) 0.382 17.061 ( 0.000 3.313 0.000) 3.313 17.111 ( 0.000 2.212 0.000) 2.212 17.791 ( 0.000 0.051 0.000) 0.051 17.842 ( 0.000 0.186 0.000) 0.186 18.704 ( 0.000 0.829 0.000) 0.829 18.832 ( 0.000 1.595 0.000) 1.595 19.034 ( 0.000 1.085 0.000) 1.085 19.173 ( 0.000 0.917 0.000) 0.917 19.699 ( -0.000 -0.965 -0.000) 0.965 19.801 ( 0.000 0.518 0.000) 0.518 ======================= Grid point 39 (21/93) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 0.000 -0.000 -0.000) 0.000 0.660 ( 0.000 -0.000 0.000) 0.000 0.800 ( -0.000 0.000 -0.000) 0.000 0.805 ( -0.000 0.000 -0.000) 0.000 0.818 ( 0.000 -0.000 0.000) 0.000 0.846 ( 0.000 -0.000 0.000) 0.000 0.967 ( 0.000 -0.000 0.000) 0.000 1.005 ( 0.000 -0.000 0.000) 0.000 1.014 ( 0.000 -0.000 0.000) 0.000 1.023 ( 0.000 -0.000 -0.000) 0.000 1.198 ( 0.000 -0.000 0.000) 0.000 1.203 ( 0.000 -0.000 0.000) 0.000 1.319 ( 0.000 -0.000 0.000) 0.000 1.480 ( 0.000 -0.000 -0.000) 0.000 1.484 ( -0.000 0.000 0.000) 0.000 1.573 ( 0.000 -0.000 0.000) 0.000 1.612 ( 0.000 -0.000 0.000) 0.000 1.738 ( 0.000 -0.000 -0.000) 0.000 1.925 ( 0.000 -0.000 -0.000) 0.000 1.940 ( 0.000 -0.000 -0.000) 0.000 1.994 ( 0.000 -0.000 -0.000) 0.000 2.041 ( 0.000 -0.000 0.000) 0.000 2.254 ( 0.000 -0.000 -0.000) 0.000 2.584 ( 0.000 -0.000 -0.000) 0.000 2.698 ( 0.000 -0.000 -0.000) 0.000 2.739 ( 0.000 -0.000 0.000) 0.000 2.986 ( 0.000 -0.000 0.000) 0.000 3.007 ( 0.000 -0.000 0.000) 0.000 3.162 ( 0.000 -0.000 -0.000) 0.000 3.257 ( 0.000 -0.000 -0.000) 0.000 3.461 ( 0.000 -0.000 0.000) 0.000 3.679 ( 0.000 -0.000 0.000) 0.000 3.724 ( 0.000 -0.000 0.000) 0.000 3.783 ( 0.000 -0.000 0.000) 0.000 3.945 ( 0.000 -0.000 0.000) 0.000 3.995 ( 0.000 -0.000 0.000) 0.000 4.452 ( 0.000 -0.000 -0.000) 0.000 4.456 ( 0.000 -0.000 0.000) 0.000 4.519 ( 0.000 -0.000 -0.000) 0.000 4.835 ( 0.000 -0.000 0.000) 0.000 5.021 ( 0.000 -0.000 0.000) 0.000 5.380 ( 0.000 -0.000 0.000) 0.000 5.745 ( 0.000 -0.000 -0.000) 0.000 5.901 ( 0.000 -0.000 0.000) 0.000 6.486 ( 0.000 -0.000 -0.000) 0.000 6.544 ( 0.000 -0.000 0.000) 0.000 6.694 ( 0.000 -0.000 -0.000) 0.000 6.887 ( 0.000 -0.000 0.000) 0.000 7.288 ( 0.000 -0.000 0.000) 0.000 7.299 ( 0.000 -0.000 0.000) 0.000 7.511 ( 0.000 -0.000 0.000) 0.000 7.551 ( 0.000 -0.000 0.000) 0.000 7.868 ( 0.000 -0.000 -0.000) 0.000 7.870 ( 0.000 -0.000 -0.000) 0.000 16.310 ( 0.000 -0.000 0.000) 0.000 16.355 ( 0.000 -0.000 0.000) 0.000 17.142 ( 0.000 -0.000 0.000) 0.000 17.152 ( 0.000 -0.000 0.000) 0.000 17.793 ( 0.000 -0.000 0.000) 0.000 17.843 ( 0.000 -0.000 0.000) 0.000 18.725 ( 0.000 -0.000 -0.000) 0.000 18.865 ( 0.000 -0.000 -0.000) 0.000 19.055 ( 0.000 -0.000 0.000) 0.000 19.191 ( 0.000 -0.000 0.000) 0.000 19.685 ( 0.000 -0.000 -0.000) 0.000 19.809 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 69 (22/93) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.193 ( -0.629 0.000 11.321) 11.339 0.240 ( 10.763 -0.000 12.337) 16.372 0.495 ( 5.099 -0.000 21.935) 22.520 0.772 ( -2.159 0.000 -2.975) 3.676 0.872 ( -0.432 0.000 -4.768) 4.787 0.954 ( 1.518 -0.000 -0.796) 1.714 0.979 ( -1.055 0.000 -0.116) 1.062 0.996 ( 3.406 -0.000 3.908) 5.184 1.093 ( -0.004 0.000 -0.254) 0.254 1.159 ( 1.699 -0.000 1.797) 2.473 1.166 ( 5.470 -0.000 2.520) 6.023 1.215 ( -0.476 0.000 0.700) 0.846 1.232 ( -0.756 0.000 -4.054) 4.124 1.443 ( -0.582 0.000 -0.525) 0.784 1.467 ( 2.054 -0.000 -2.065) 2.913 1.516 ( -5.868 0.000 -1.202) 5.990 1.785 ( -2.414 0.000 0.404) 2.448 1.810 ( -1.695 0.000 -0.230) 1.710 1.866 ( 2.343 -0.000 0.872) 2.500 1.870 ( -1.809 0.000 -3.307) 3.769 1.893 ( 6.367 -0.000 4.518) 7.807 2.034 ( 1.615 -0.000 3.664) 4.005 2.128 ( -4.943 0.000 1.681) 5.221 2.639 ( 0.055 -0.000 0.520) 0.523 2.664 ( -1.415 0.000 -1.611) 2.144 2.747 ( -4.651 0.000 -6.903) 8.324 2.867 ( -7.642 0.000 -7.085) 10.421 2.975 ( -4.493 0.000 -3.592) 5.752 3.263 ( 2.910 -0.000 2.743) 3.999 3.271 ( 0.991 -0.000 0.440) 1.084 3.554 ( 3.510 -0.000 4.493) 5.702 3.604 ( -1.853 0.000 1.027) 2.119 3.678 ( -0.285 0.000 -0.338) 0.443 3.816 ( 1.706 -0.000 -3.124) 3.560 3.950 ( 2.449 -0.000 4.173) 4.838 4.098 ( 0.355 -0.000 0.080) 0.364 4.296 ( -0.004 0.000 2.294) 2.294 4.481 ( 0.425 -0.000 -2.105) 2.148 4.640 ( 3.523 -0.000 3.243) 4.788 4.818 ( -1.147 0.000 -1.422) 1.827 5.112 ( 2.384 -0.000 2.497) 3.452 5.385 ( -2.478 0.000 -3.145) 4.004 5.765 ( 1.216 -0.000 1.352) 1.818 5.926 ( -1.710 0.000 -2.681) 3.180 6.515 ( 0.072 -0.000 0.410) 0.416 6.573 ( -1.094 0.000 -1.262) 1.670 6.719 ( 3.185 -0.000 2.240) 3.894 6.857 ( -1.225 0.000 -1.382) 1.847 7.253 ( 0.285 -0.000 1.100) 1.137 7.345 ( -0.306 0.000 -1.092) 1.134 7.511 ( 0.340 -0.000 0.704) 0.782 7.563 ( -0.322 0.000 -0.529) 0.619 7.863 ( 0.006 -0.000 0.115) 0.115 7.873 ( -0.007 0.000 -0.123) 0.123 16.344 ( -0.220 0.000 0.400) 0.457 16.389 ( 2.876 -0.000 -0.680) 2.955 17.080 ( 0.199 -0.000 0.909) 0.930 17.148 ( -0.141 0.000 -0.724) 0.738 17.758 ( 0.053 -0.000 0.188) 0.195 17.777 ( 0.274 -0.000 -0.249) 0.370 18.687 ( 1.067 -0.000 1.725) 2.028 18.847 ( -2.702 0.000 -2.718) 3.832 18.963 ( 2.575 -0.000 2.181) 3.375 19.087 ( -6.790 0.000 -1.513) 6.957 19.661 ( 1.219 -0.000 3.649) 3.847 19.948 ( -1.311 0.000 -3.240) 3.495 ======================= Grid point 70 (23/93) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.273 ( 4.130 -2.283 9.194) 10.334 0.388 ( 6.680 -1.982 10.465) 12.573 0.691 ( 0.608 1.790 -1.889) 2.672 0.714 ( 5.460 -3.173 4.770) 7.914 0.880 ( -0.808 -2.231 -1.413) 2.762 0.915 ( -0.224 1.999 0.928) 2.216 0.973 ( 1.235 1.079 -0.355) 1.678 1.052 ( 2.976 -1.230 0.563) 3.268 1.073 ( -0.956 1.137 0.037) 1.486 1.150 ( -3.403 1.601 1.171) 3.939 1.174 ( -1.993 -0.830 0.525) 2.222 1.246 ( 3.326 -1.544 1.310) 3.894 1.280 ( 7.076 -1.485 1.428) 7.370 1.420 ( 1.200 1.631 -0.859) 2.200 1.496 ( 3.071 -1.209 -0.312) 3.315 1.501 ( -6.452 -3.291 -3.469) 8.031 1.743 ( -3.622 1.508 0.678) 3.982 1.794 ( 0.272 3.702 -0.868) 3.812 1.801 ( -3.557 -0.488 -1.210) 3.789 1.900 ( 2.155 -1.335 -2.213) 3.365 2.024 ( 10.399 -0.961 10.481) 14.796 2.074 ( 1.849 -1.038 3.423) 4.027 2.124 ( -1.126 -1.244 1.882) 2.521 2.570 ( -12.983 0.761 -15.147) 19.964 2.643 ( -0.297 -0.207 0.014) 0.362 2.674 ( -1.594 -0.544 -2.149) 2.730 2.844 ( -0.204 -0.724 0.559) 0.937 2.921 ( -3.564 0.104 -3.108) 4.730 3.275 ( 0.831 0.312 0.325) 0.945 3.286 ( 0.851 0.107 0.639) 1.070 3.580 ( 0.648 1.374 2.702) 3.100 3.607 ( 1.883 0.433 3.424) 3.932 3.680 ( -0.304 -0.456 -0.502) 0.743 3.787 ( -1.460 1.179 -2.548) 3.165 3.949 ( 0.593 1.865 4.858) 5.237 4.092 ( -0.579 0.564 -0.534) 0.969 4.316 ( 0.672 -0.603 2.562) 2.716 4.473 ( 0.875 0.415 -2.309) 2.504 4.681 ( 3.644 0.688 3.956) 5.423 4.796 ( -2.044 0.132 -2.429) 3.177 5.152 ( 3.497 0.006 4.152) 5.428 5.335 ( -4.415 0.322 -4.712) 6.465 5.783 ( 1.888 0.256 2.140) 2.865 5.888 ( -2.601 0.415 -3.162) 4.115 6.518 ( -0.165 -0.094 0.544) 0.577 6.554 ( -1.261 0.340 -1.076) 1.692 6.752 ( 3.184 0.318 2.776) 4.236 6.838 ( -1.735 -0.083 -2.222) 2.820 7.260 ( 0.516 0.182 1.243) 1.358 7.315 ( -0.895 1.453 -0.143) 1.713 7.517 ( 0.569 0.161 0.871) 1.053 7.553 ( -0.567 0.301 -0.723) 0.967 7.862 ( 0.022 0.132 0.116) 0.177 7.870 ( -0.006 0.241 -0.129) 0.273 16.347 ( -0.447 -0.363 0.292) 0.645 16.378 ( 0.561 1.302 0.285) 1.446 17.071 ( 0.508 1.804 1.095) 2.171 17.130 ( 0.052 1.527 -0.926) 1.787 17.766 ( 0.513 -0.452 -0.080) 0.689 17.782 ( 0.780 -0.263 -0.147) 0.837 18.706 ( 1.828 0.289 2.276) 2.934 18.807 ( -2.426 0.579 -2.841) 3.780 19.000 ( 3.470 -0.121 2.298) 4.164 19.053 ( -1.681 -0.509 -1.041) 2.041 19.697 ( 1.614 -0.477 4.189) 4.514 19.903 ( -2.707 1.221 -4.104) 5.065 ======================= Grid point 71 (24/93) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( 3.899 -4.236 3.418) 6.695 0.502 ( 3.441 -1.285 6.687) 7.630 0.623 ( 1.912 1.520 -4.680) 5.280 0.773 ( 0.544 -0.608 -5.487) 5.548 0.839 ( -3.350 1.726 2.002) 4.267 0.934 ( -1.780 2.012 -2.376) 3.586 1.002 ( 3.905 -2.911 3.163) 5.807 1.040 ( -1.222 1.260 1.388) 2.238 1.089 ( 0.267 -0.595 -1.682) 1.804 1.130 ( -0.009 -1.126 2.151) 2.428 1.191 ( 0.167 -0.852 2.829) 2.959 1.303 ( 3.018 -1.004 1.767) 3.638 1.319 ( -0.240 1.366 -2.932) 3.243 1.407 ( 2.782 1.516 -0.896) 3.293 1.500 ( -4.575 -3.212 -1.706) 5.845 1.560 ( 4.084 -2.142 2.484) 5.238 1.690 ( -3.335 1.129 1.290) 3.750 1.747 ( 2.208 2.410 2.329) 4.014 1.771 ( -2.044 0.460 -2.352) 3.149 1.923 ( 2.776 -0.066 -2.068) 3.463 2.122 ( -0.136 -1.453 1.390) 2.016 2.138 ( 1.160 -1.096 2.264) 2.770 2.194 ( 11.387 -0.321 11.925) 16.492 2.363 ( -14.417 0.472 -16.588) 21.983 2.651 ( 0.239 -0.256 0.897) 0.963 2.672 ( -0.148 -0.536 -0.795) 0.970 2.858 ( -0.227 -0.297 0.645) 0.746 2.895 ( -0.782 -0.537 -1.185) 1.518 3.277 ( 0.242 0.060 0.066) 0.257 3.285 ( -0.079 0.299 -0.268) 0.409 3.567 ( -0.634 0.982 1.230) 1.697 3.615 ( 1.119 1.537 1.443) 2.387 3.686 ( -0.079 -0.304 0.525) 0.612 3.740 ( -1.175 1.586 -1.036) 2.229 3.959 ( 0.830 0.073 3.650) 3.744 4.064 ( -1.123 1.146 -1.531) 2.218 4.352 ( 1.196 -1.150 2.475) 2.980 4.456 ( 0.438 0.899 -2.333) 2.538 4.714 ( 3.188 0.737 3.789) 5.007 4.755 ( -3.237 0.352 -3.607) 4.859 5.205 ( 3.928 0.113 4.859) 6.249 5.265 ( -4.954 0.224 -5.211) 7.194 5.808 ( 2.380 0.265 2.733) 3.634 5.844 ( -2.720 0.362 -3.226) 4.235 6.520 ( -0.173 -0.026 0.603) 0.627 6.535 ( -0.940 0.279 -0.623) 1.162 6.786 ( 2.771 0.175 2.609) 3.810 6.811 ( -2.035 -0.041 -2.667) 3.355 7.265 ( 0.511 0.327 1.037) 1.201 7.287 ( -0.492 0.933 -0.217) 1.077 7.521 ( 0.356 0.324 0.716) 0.863 7.539 ( -0.456 0.360 -0.656) 0.876 7.860 ( 0.005 0.209 0.069) 0.220 7.864 ( 0.019 0.320 -0.077) 0.329 16.351 ( -0.544 -0.525 0.024) 0.756 16.369 ( 0.211 0.348 0.404) 0.574 17.039 ( 0.410 2.553 1.047) 2.789 17.092 ( 0.368 2.165 -0.919) 2.380 17.779 ( 0.232 -0.619 -0.184) 0.686 17.797 ( 1.106 -0.457 0.030) 1.197 18.724 ( 1.628 0.666 2.009) 2.670 18.766 ( -1.330 0.821 -2.080) 2.601 19.044 ( 3.441 -0.257 2.349) 4.174 19.050 ( -0.642 -0.699 -1.680) 1.929 19.736 ( 1.357 -0.392 3.515) 3.788 19.833 ( -2.860 1.587 -3.636) 4.891 ======================= Grid point 72 (25/93) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 1.218 -1.427 -0.982) 2.118 0.549 ( -0.241 -1.567 -0.546) 1.676 0.656 ( 5.038 -2.591 0.915) 5.739 0.734 ( -2.616 1.840 -2.051) 3.799 0.818 ( -2.242 -1.190 0.586) 2.605 0.888 ( -0.904 -0.235 -1.571) 1.827 1.005 ( -1.480 1.430 2.010) 2.876 1.067 ( 0.337 -0.201 -1.713) 1.757 1.098 ( -0.225 -1.516 0.091) 1.535 1.152 ( -0.076 0.355 -0.379) 0.525 1.220 ( 2.041 1.460 5.150) 5.729 1.243 ( -1.800 1.357 -2.550) 3.404 1.361 ( 2.890 -0.892 -1.940) 3.593 1.373 ( -1.118 0.922 -1.671) 2.212 1.507 ( -1.759 -1.165 -1.469) 2.571 1.593 ( -1.649 1.107 2.128) 2.911 1.687 ( -1.159 -1.413 -0.379) 1.867 1.728 ( -1.363 1.710 -2.080) 3.018 1.784 ( 5.426 -0.730 5.243) 7.580 1.929 ( 1.341 0.072 -2.735) 3.046 2.118 ( -3.129 -0.600 -2.539) 4.074 2.175 ( -7.863 -0.555 -10.004) 12.736 2.186 ( -0.276 -0.102 0.367) 0.471 2.371 ( 13.529 -0.076 15.004) 20.203 2.652 ( -0.903 0.149 -0.362) 0.984 2.683 ( 0.721 -0.504 0.338) 0.942 2.859 ( -0.308 -0.194 0.275) 0.457 2.912 ( 1.703 -0.454 1.492) 2.309 3.273 ( -0.732 -0.109 -0.906) 1.170 3.280 ( -0.305 0.008 -0.180) 0.355 3.544 ( -2.126 0.489 -0.803) 2.325 3.596 ( 0.386 1.375 0.069) 1.430 3.679 ( -0.948 0.515 -0.667) 1.268 3.720 ( 1.441 0.910 2.078) 2.688 3.980 ( -0.055 -0.097 0.910) 0.916 4.029 ( -0.406 0.792 -0.977) 1.322 4.396 ( 1.343 -1.371 1.823) 2.648 4.427 ( -0.402 1.219 -1.793) 2.205 4.691 ( -4.531 0.356 -4.717) 6.550 4.753 ( 3.017 0.191 3.357) 4.517 5.188 ( -4.809 0.051 -4.847) 6.828 5.270 ( 4.295 0.042 4.849) 6.478 5.799 ( -2.594 0.325 -2.921) 3.920 5.841 ( 2.595 0.021 2.879) 3.876 6.522 ( 0.069 0.062 0.657) 0.663 6.523 ( -0.401 0.143 -0.238) 0.488 6.777 ( -2.570 -0.076 -3.046) 3.986 6.820 ( 2.383 0.049 2.285) 3.302 7.266 ( 0.077 0.399 0.391) 0.564 7.272 ( 0.024 0.389 0.045) 0.393 7.514 ( -0.491 0.377 -0.380) 0.727 7.534 ( 0.366 0.142 0.320) 0.506 7.856 ( -0.030 0.147 -0.005) 0.150 7.859 ( 0.046 0.223 0.001) 0.228 16.355 ( -0.461 -0.419 -0.219) 0.661 16.369 ( 0.139 0.079 0.244) 0.292 17.004 ( -0.002 1.873 0.821) 2.045 17.058 ( 0.569 1.487 -0.715) 1.745 17.789 ( -0.017 -0.536 -0.190) 0.569 17.813 ( 0.859 -0.274 0.115) 0.909 18.718 ( -0.730 0.533 -0.657) 1.117 18.751 ( 1.338 0.647 0.950) 1.764 19.043 ( -1.187 -0.445 -2.217) 2.554 19.086 ( 2.770 -0.151 2.406) 3.672 19.763 ( 0.922 -0.156 2.213) 2.402 19.776 ( -1.950 0.894 -2.323) 3.162 ======================= Grid point 73 (26/93) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( -3.536 -0.895 -1.066) 3.800 0.562 ( 0.526 -1.027 -4.473) 4.620 0.676 ( -2.297 0.784 -0.310) 2.447 0.764 ( 3.068 -4.471 1.030) 5.519 0.814 ( -4.416 1.306 3.504) 5.787 0.920 ( 2.199 -3.466 -2.272) 4.692 0.984 ( -1.025 0.348 1.957) 2.236 1.020 ( -2.229 1.790 -2.777) 3.986 1.113 ( -2.005 0.036 -2.025) 2.850 1.129 ( 0.589 0.391 -0.803) 1.070 1.172 ( 1.444 4.363 3.794) 5.960 1.272 ( -3.548 1.216 -1.781) 4.152 1.311 ( 1.415 -2.178 -1.929) 3.236 1.411 ( 1.642 -0.184 -0.333) 1.685 1.499 ( -0.193 0.720 -0.945) 1.204 1.558 ( -2.440 0.046 -1.962) 3.131 1.647 ( -3.562 1.490 -3.551) 5.245 1.717 ( 0.394 -0.714 2.932) 3.044 1.855 ( 3.266 -0.033 3.708) 4.942 1.924 ( -0.483 -1.032 -3.199) 3.396 2.067 ( -3.261 0.563 -6.185) 7.015 2.088 ( -4.259 -0.286 -2.962) 5.196 2.223 ( 2.481 0.465 3.055) 3.962 2.547 ( 10.972 0.079 11.746) 16.074 2.638 ( 0.060 -0.256 0.243) 0.358 2.698 ( 0.698 -0.115 1.207) 1.399 2.868 ( 1.248 0.013 1.263) 1.776 2.945 ( 2.487 -0.056 2.960) 3.866 3.263 ( -1.542 -0.377 -1.795) 2.396 3.275 ( -1.032 -0.255 -0.629) 1.235 3.511 ( -2.870 -0.144 -2.597) 3.873 3.578 ( 0.249 0.958 -0.063) 0.991 3.667 ( -0.198 -0.058 -0.416) 0.464 3.735 ( 1.929 0.538 2.790) 3.435 3.955 ( -1.223 1.271 -1.722) 2.465 4.034 ( 0.734 -0.533 0.342) 0.970 4.386 ( -1.074 1.476 -1.082) 2.122 4.441 ( 0.973 -1.441 1.073) 2.043 4.627 ( -4.691 -0.208 -5.006) 6.864 4.791 ( 2.441 -0.178 2.652) 3.609 5.132 ( -3.716 -0.111 -4.038) 5.489 5.327 ( 3.982 -0.036 4.328) 5.881 5.763 ( -2.115 0.047 -2.385) 3.188 5.877 ( 2.383 -0.217 2.598) 3.532 6.517 ( -0.026 0.196 -0.068) 0.209 6.529 ( 0.704 -0.059 0.836) 1.095 6.742 ( -2.788 -0.150 -3.103) 4.174 6.846 ( 1.705 -0.038 1.772) 2.460 7.258 ( -0.287 0.264 -0.128) 0.410 7.272 ( 0.219 0.004 0.401) 0.457 7.503 ( -0.422 0.109 -0.594) 0.737 7.538 ( 0.409 -0.050 0.448) 0.608 7.855 ( -0.020 -0.079 -0.007) 0.082 7.857 ( 0.019 0.074 0.005) 0.077 16.355 ( -0.320 -0.024 -0.366) 0.486 16.368 ( 0.147 0.265 0.170) 0.348 16.987 ( -0.476 0.172 0.605) 0.789 17.047 ( 0.493 -0.142 -0.503) 0.718 17.795 ( -0.291 -0.287 -0.163) 0.440 17.819 ( 0.227 0.216 0.124) 0.337 18.701 ( -0.962 0.151 -0.815) 1.270 18.763 ( 1.480 -0.116 1.354) 2.009 19.024 ( -1.945 -0.074 -2.174) 2.918 19.114 ( 1.375 0.104 2.011) 2.438 19.740 ( -0.946 1.182 -0.929) 1.777 19.790 ( 0.966 -1.338 0.920) 1.890 ======================= Grid point 74 (27/93) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( -7.489 1.233 -1.589) 7.754 0.579 ( 1.850 -1.869 -3.751) 4.581 0.669 ( -1.524 -1.276 -1.313) 2.382 0.722 ( -6.745 4.559 4.035) 9.086 0.850 ( -1.241 -4.229 -2.634) 5.135 0.961 ( 3.397 0.790 -0.788) 3.575 0.988 ( -1.301 3.727 3.607) 5.347 1.023 ( 0.841 -1.860 0.994) 2.270 1.043 ( -2.640 0.163 -3.291) 4.222 1.116 ( 0.371 0.614 -1.843) 1.978 1.138 ( 2.050 1.325 0.986) 2.632 1.216 ( -3.229 -0.265 -1.281) 3.484 1.334 ( -2.071 2.682 -6.491) 7.322 1.373 ( -1.950 -0.328 1.194) 2.310 1.481 ( 0.191 0.675 0.780) 1.049 1.577 ( 0.692 -3.159 -0.417) 3.260 1.615 ( 1.833 -0.282 -1.191) 2.204 1.761 ( -0.676 -2.455 3.501) 4.328 1.872 ( 0.669 1.086 1.737) 2.154 1.925 ( 0.017 -0.332 -2.161) 2.187 2.018 ( -0.978 0.677 -4.284) 4.446 2.045 ( -2.117 1.063 -0.504) 2.421 2.223 ( 0.251 2.413 2.032) 3.164 2.592 ( 0.420 -0.212 -0.360) 0.593 2.686 ( 0.586 -0.095 1.564) 1.673 2.748 ( 5.636 -0.944 5.943) 8.245 2.899 ( 5.262 0.323 5.108) 7.341 2.979 ( 2.253 0.087 3.172) 3.892 3.240 ( -3.019 -0.522 -3.541) 4.682 3.267 ( -1.483 -0.462 -0.933) 1.812 3.485 ( -2.180 -0.740 -2.555) 3.439 3.566 ( -0.043 0.496 0.293) 0.578 3.670 ( 0.073 -0.500 -0.400) 0.644 3.754 ( 1.475 0.454 2.280) 2.754 3.917 ( -0.704 1.258 -0.907) 1.703 4.049 ( 0.767 -0.549 -0.515) 1.075 4.347 ( -1.284 1.516 -0.090) 1.989 4.472 ( 0.098 -1.222 -0.014) 1.226 4.584 ( -3.136 -0.971 -3.678) 4.930 4.820 ( 1.334 -0.219 1.484) 2.007 5.095 ( -1.942 -0.103 -2.557) 3.213 5.374 ( 2.911 -0.176 2.840) 4.071 5.743 ( -1.256 -0.340 -1.447) 1.946 5.909 ( 1.619 -0.328 1.631) 2.322 6.514 ( 0.312 0.273 0.013) 0.415 6.545 ( 1.270 -0.299 1.003) 1.646 6.709 ( -2.529 -0.152 -2.602) 3.632 6.865 ( 0.927 -0.099 1.049) 1.403 7.252 ( -0.421 0.119 -0.049) 0.441 7.278 ( 0.094 -0.269 0.361) 0.460 7.498 ( -0.183 -0.117 -0.435) 0.486 7.546 ( 0.336 -0.300 0.299) 0.541 7.857 ( -0.019 -0.068 0.012) 0.072 7.859 ( 0.001 -0.310 -0.013) 0.310 16.347 ( -0.209 0.495 -0.406) 0.673 16.363 ( 0.166 0.529 0.180) 0.583 16.997 ( -0.791 -1.539 0.498) 1.801 17.066 ( 0.246 -1.759 -0.394) 1.820 17.793 ( -0.483 0.004 -0.155) 0.507 17.810 ( -0.515 0.645 0.093) 0.830 18.687 ( -0.986 0.183 -0.557) 1.147 18.794 ( 1.413 -1.379 1.249) 2.336 18.995 ( -2.527 0.175 -1.723) 3.063 19.125 ( -0.303 0.129 1.653) 1.685 19.703 ( -0.719 1.798 -0.550) 2.012 19.841 ( 1.735 -2.677 0.496) 3.229 ======================= Grid point 75 (28/93) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.318 ( -7.433 3.886 0.111) 8.388 0.498 ( -10.757 6.734 -3.043) 13.051 0.661 ( -1.039 0.164 1.061) 1.494 0.675 ( -0.982 1.343 0.717) 1.812 0.844 ( -3.025 3.793 4.459) 6.590 0.892 ( 0.009 -2.784 -1.431) 3.130 0.988 ( 2.485 -0.275 0.062) 2.501 1.007 ( -0.574 0.368 -3.204) 3.275 1.098 ( 4.478 1.209 1.465) 4.864 1.129 ( 0.615 -0.804 -0.983) 1.411 1.150 ( 0.253 0.400 -3.021) 3.058 1.186 ( -1.224 -0.872 2.473) 2.894 1.251 ( -2.574 -0.200 -2.558) 3.635 1.373 ( -0.914 -0.960 -0.852) 1.576 1.475 ( 0.508 0.971 0.652) 1.275 1.646 ( 1.956 -1.734 -2.964) 3.952 1.660 ( 2.904 -3.259 2.555) 5.058 1.818 ( -1.566 -3.040 2.821) 4.434 1.853 ( -0.862 1.313 0.442) 1.632 1.911 ( 1.977 1.811 -1.637) 3.142 1.967 ( -2.850 0.888 -4.225) 5.173 2.024 ( 0.908 1.312 1.904) 2.484 2.170 ( -1.933 2.929 1.878) 3.980 2.608 ( 0.782 -0.900 0.261) 1.220 2.688 ( -0.638 0.039 0.756) 0.990 2.791 ( 0.933 0.226 -0.298) 1.005 2.992 ( 5.847 -0.873 5.199) 7.873 3.004 ( 0.680 -0.069 1.849) 1.971 3.202 ( -2.909 -0.286 -3.436) 4.511 3.259 ( -1.100 -0.432 -0.854) 1.458 3.481 ( -0.412 -0.939 -0.632) 1.204 3.565 ( -0.176 -0.143 1.492) 1.509 3.679 ( 0.245 -0.434 0.074) 0.504 3.758 ( 0.659 0.847 0.915) 1.411 3.893 ( -0.128 0.820 0.379) 0.912 4.065 ( 1.253 -0.613 -0.427) 1.459 4.314 ( -1.087 1.210 0.906) 1.862 4.486 ( -0.478 -0.817 -0.960) 1.348 4.577 ( -0.665 -1.235 -1.333) 1.935 4.833 ( 0.187 -0.068 0.294) 0.355 5.080 ( -0.084 -0.105 -0.878) 0.888 5.404 ( 1.226 -0.225 0.837) 1.501 5.740 ( -0.317 -0.542 -0.404) 0.746 5.928 ( 0.571 -0.315 0.315) 0.725 6.513 ( 0.455 0.283 0.109) 0.547 6.567 ( 1.188 -0.509 0.658) 1.450 6.684 ( -1.393 -0.034 -1.237) 1.863 6.874 ( 0.175 -0.076 0.197) 0.274 7.247 ( -0.397 0.020 0.196) 0.443 7.287 ( 0.083 -0.520 0.656) 0.841 7.499 ( 0.033 -0.195 -0.069) 0.209 7.556 ( 0.209 -0.429 0.045) 0.479 7.859 ( -0.030 -0.147 0.031) 0.153 7.865 ( 0.006 -0.388 -0.036) 0.389 16.333 ( 0.098 0.754 0.064) 0.763 16.355 ( 0.124 0.621 0.240) 0.677 17.028 ( -0.796 -2.271 0.502) 2.459 17.104 ( 0.004 -2.369 -0.413) 2.405 17.786 ( -0.472 0.203 -0.136) 0.531 17.791 ( -1.112 0.692 -0.037) 1.311 18.676 ( -0.693 0.067 -0.035) 0.697 18.840 ( 1.166 -1.794 0.601) 2.222 18.964 ( -2.397 0.307 -0.900) 2.579 19.124 ( -2.353 -0.677 1.448) 2.845 19.665 ( -0.241 1.796 0.270) 1.832 19.908 ( 1.764 -2.894 -0.465) 3.421 ======================= Grid point 76 (29/93) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.201 ( -3.663 4.578 6.114) 8.471 0.244 ( -9.510 8.037 0.445) 12.460 0.515 ( -3.840 10.336 16.436) 19.792 0.742 ( 0.454 -4.349 -2.153) 4.874 0.871 ( 1.721 -1.865 3.397) 4.240 0.932 ( 1.129 -1.166 -1.260) 2.055 0.969 ( -1.308 0.418 -3.379) 3.647 1.011 ( 1.442 1.010 -0.285) 1.783 1.082 ( 1.133 0.712 -1.879) 2.307 1.104 ( 2.846 0.835 2.476) 3.863 1.161 ( 2.174 1.165 0.931) 2.637 1.219 ( -1.671 -0.673 1.171) 2.148 1.247 ( -0.692 -1.209 -1.827) 2.298 1.410 ( -0.105 -3.702 0.132) 3.706 1.459 ( 1.973 1.837 -0.489) 2.740 1.634 ( -2.412 1.518 -6.606) 7.195 1.763 ( 5.164 -2.300 3.941) 6.892 1.818 ( -1.671 0.969 -1.245) 2.298 1.842 ( -1.935 0.564 -0.647) 2.117 1.881 ( 0.438 1.158 -0.144) 1.246 1.918 ( -1.283 0.589 -3.384) 3.666 2.019 ( 1.015 1.328 2.905) 3.351 2.144 ( -2.972 -1.012 2.833) 4.229 2.630 ( 0.533 -0.522 0.609) 0.963 2.682 ( -1.074 0.149 -0.165) 1.097 2.778 ( 0.080 0.721 -1.871) 2.007 2.990 ( -7.062 -0.123 -8.120) 10.762 3.008 ( -2.411 -0.938 -1.915) 3.218 3.213 ( 4.038 -0.104 4.065) 5.731 3.260 ( 0.293 -0.280 0.048) 0.408 3.506 ( 1.912 -0.769 2.264) 3.061 3.589 ( -0.654 -1.795 2.354) 3.032 3.689 ( -0.067 0.050 0.217) 0.233 3.764 ( 4.440 -0.058 2.514) 5.103 3.892 ( 0.401 -0.207 2.699) 2.736 4.086 ( 1.314 -0.520 0.079) 1.416 4.296 ( -0.725 0.655 1.723) 1.981 4.486 ( -0.306 -0.371 -1.697) 1.764 4.600 ( 1.872 -0.743 1.258) 2.374 4.830 ( -0.602 0.009 -0.649) 0.885 5.088 ( 1.395 -0.097 0.822) 1.622 5.408 ( -0.833 -0.136 -1.345) 1.588 5.750 ( 0.506 -0.379 0.529) 0.825 5.934 ( -0.296 -0.463 -0.784) 0.957 6.513 ( 0.362 0.173 0.250) 0.473 6.581 ( -0.260 -0.400 -0.669) 0.822 6.684 ( 1.390 -0.131 1.447) 2.011 6.872 ( -0.556 0.088 -0.736) 0.927 7.247 ( -0.101 -0.051 0.649) 0.659 7.311 ( 0.742 -1.604 1.518) 2.329 7.504 ( 0.208 -0.166 0.385) 0.468 7.563 ( -0.024 -0.308 -0.255) 0.400 7.861 ( -0.016 -0.112 0.068) 0.132 7.871 ( -0.001 -0.260 -0.083) 0.273 16.337 ( 2.103 -0.457 2.043) 2.967 16.347 ( -0.002 0.412 0.342) 0.536 17.062 ( -0.461 -1.634 0.626) 1.809 17.138 ( -0.132 -1.599 -0.557) 1.698 17.769 ( -1.357 0.475 -0.036) 1.438 17.779 ( -0.163 0.168 -0.264) 0.353 18.675 ( 0.067 -0.072 0.827) 0.833 18.868 ( -0.808 -0.998 -1.649) 2.090 18.945 ( -0.067 0.312 1.064) 1.111 19.126 ( -5.847 -2.596 -0.186) 6.400 19.646 ( 0.665 0.921 2.036) 2.331 19.954 ( 0.534 -1.513 -2.194) 2.718 ======================= Grid point 78 (30/93) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.367 ( 6.394 -0.000 12.025) 13.619 0.473 ( 5.958 -0.000 10.599) 12.159 0.671 ( -3.065 0.000 -7.293) 7.911 0.758 ( 3.863 -0.000 -3.338) 5.106 0.861 ( 4.645 -0.000 3.103) 5.586 0.966 ( 0.379 0.000 -0.199) 0.428 0.966 ( 0.315 0.000 0.037) 0.317 1.061 ( 2.077 -0.000 0.256) 2.092 1.075 ( -1.576 0.000 0.012) 1.576 1.133 ( -3.459 0.000 -1.938) 3.965 1.141 ( -5.389 0.000 3.546) 6.451 1.257 ( 3.543 -0.000 0.213) 3.549 1.330 ( 5.870 -0.000 -0.568) 5.898 1.402 ( -0.798 0.000 -2.722) 2.837 1.442 ( -1.832 0.000 -0.021) 1.832 1.510 ( 3.379 -0.000 -1.304) 3.622 1.753 ( -0.257 0.000 0.715) 0.759 1.756 ( -4.334 0.000 1.212) 4.501 1.864 ( 3.006 -0.000 -1.065) 3.189 1.876 ( 1.421 -0.000 1.355) 1.963 2.098 ( 2.010 -0.000 3.289) 3.854 2.100 ( -0.953 0.000 1.945) 2.166 2.186 ( 12.972 -0.000 13.709) 18.874 2.370 ( -15.794 0.000 -18.173) 24.077 2.645 ( 0.544 -0.000 0.627) 0.830 2.657 ( -0.295 0.000 -0.911) 0.957 2.854 ( 1.624 -0.000 2.647) 3.106 2.882 ( -2.697 0.000 -2.288) 3.536 3.280 ( -0.160 0.000 -0.380) 0.412 3.291 ( 0.073 -0.000 -0.340) 0.348 3.595 ( -1.547 0.000 1.323) 2.035 3.653 ( 2.730 -0.000 3.645) 4.554 3.674 ( 0.218 -0.000 -0.058) 0.226 3.760 ( -2.473 0.000 -3.426) 4.225 3.989 ( -0.829 0.000 4.009) 4.094 4.083 ( -1.662 0.000 -0.942) 1.910 4.332 ( 1.324 -0.000 2.751) 3.053 4.474 ( 1.172 -0.000 -2.798) 3.033 4.732 ( 2.944 -0.000 3.436) 4.525 4.763 ( -3.224 0.000 -3.471) 4.737 5.206 ( 4.195 -0.000 5.385) 6.826 5.271 ( -5.741 0.000 -5.707) 8.094 5.813 ( 2.168 -0.000 2.588) 3.377 5.852 ( -2.915 0.000 -3.413) 4.489 6.519 ( -0.186 0.000 0.953) 0.971 6.541 ( -1.399 0.000 -0.959) 1.696 6.793 ( 2.958 -0.000 2.437) 3.833 6.810 ( -2.131 0.000 -2.762) 3.488 7.274 ( 0.615 -0.000 1.429) 1.556 7.315 ( -1.371 0.000 -0.753) 1.564 7.528 ( 0.660 -0.000 0.958) 1.163 7.547 ( -0.760 0.000 -0.851) 1.141 7.864 ( 0.050 -0.000 0.153) 0.161 7.871 ( -0.009 0.000 -0.161) 0.161 16.340 ( -0.733 0.000 0.262) 0.778 16.387 ( -0.705 0.000 -0.783) 1.054 17.100 ( 0.885 -0.000 1.183) 1.477 17.140 ( 0.199 -0.000 -1.007) 1.026 17.768 ( 0.826 -0.000 -0.357) 0.900 17.787 ( 1.157 -0.000 -0.161) 1.169 18.741 ( 2.619 -0.000 2.889) 3.900 18.781 ( -2.015 0.000 -2.631) 3.314 19.035 ( -0.010 0.000 -1.593) 1.593 19.042 ( 4.089 -0.000 2.275) 4.679 19.729 ( 1.782 -0.000 4.972) 5.282 19.864 ( -3.846 0.000 -4.722) 6.090 ======================= Grid point 79 (31/93) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( 4.635 1.471 9.023) 10.250 0.559 ( 4.389 0.649 5.839) 7.334 0.626 ( 2.308 -0.308 -5.710) 6.166 0.748 ( 1.267 -0.257 -5.991) 6.129 0.868 ( -2.027 2.877 -0.082) 3.520 0.931 ( -1.350 1.416 -0.970) 2.183 1.011 ( 3.369 -1.871 1.273) 4.058 1.053 ( -2.372 0.721 0.916) 2.643 1.068 ( -1.341 0.483 -0.231) 1.444 1.105 ( -0.975 -1.923 -1.754) 2.780 1.160 ( -0.168 -2.544 2.909) 3.868 1.308 ( -3.478 0.054 -4.726) 5.868 1.316 ( 2.066 -1.476 -1.318) 2.861 1.396 ( -1.240 -1.310 -2.121) 2.784 1.448 ( 2.770 0.966 -0.374) 2.957 1.559 ( 3.376 -2.979 0.324) 4.514 1.709 ( -3.179 2.376 2.689) 4.794 1.767 ( 2.219 0.478 1.653) 2.809 1.840 ( 2.795 2.951 2.411) 4.726 1.926 ( 1.598 -1.072 -0.628) 2.024 2.097 ( -1.588 -0.327 -0.463) 1.686 2.142 ( 2.243 -1.209 2.536) 3.595 2.166 ( -13.376 -0.403 -15.800) 20.705 2.369 ( 13.575 -0.082 15.641) 20.711 2.651 ( -0.542 -0.115 -0.418) 0.694 2.663 ( 1.541 -0.471 0.851) 1.822 2.855 ( -1.019 0.115 -0.576) 1.177 2.892 ( 2.306 -0.527 2.832) 3.690 3.273 ( -0.921 0.007 -0.843) 1.249 3.285 ( -0.463 0.163 -0.833) 0.967 3.573 ( -2.697 0.789 -0.033) 2.811 3.655 ( 0.682 1.480 -0.421) 1.683 3.690 ( 0.505 0.152 1.905) 1.977 3.738 ( -0.395 -0.378 -1.061) 1.193 3.988 ( -0.599 0.865 3.417) 3.575 4.058 ( -1.983 0.424 -1.711) 2.653 4.362 ( 1.847 -0.452 2.795) 3.380 4.462 ( 0.627 0.619 -2.974) 3.102 4.708 ( -4.650 0.363 -4.668) 6.599 4.765 ( 2.437 0.312 2.875) 3.782 5.193 ( -5.763 0.207 -5.478) 7.954 5.268 ( 4.145 -0.117 5.286) 6.718 5.812 ( -2.612 0.272 -2.957) 3.955 5.843 ( 2.227 0.052 2.749) 3.538 6.523 ( -0.004 0.015 1.215) 1.215 6.525 ( -1.217 0.009 -0.608) 1.361 6.777 ( -2.423 0.022 -3.173) 3.992 6.825 ( 2.557 0.159 2.154) 3.347 7.282 ( 0.494 0.338 1.196) 1.338 7.296 ( -0.711 0.678 -0.562) 1.132 7.531 ( -0.407 0.440 -0.284) 0.664 7.539 ( 0.164 0.037 0.305) 0.349 7.864 ( 0.039 0.180 0.123) 0.221 7.868 ( 0.014 0.201 -0.129) 0.240 16.337 ( -0.837 -0.387 0.029) 0.923 16.374 ( -0.521 0.284 -0.312) 0.670 17.093 ( 0.762 2.093 1.030) 2.454 17.125 ( 0.540 1.392 -0.881) 1.734 17.774 ( 0.658 -0.190 -0.259) 0.732 17.800 ( 1.432 -0.314 -0.076) 1.468 18.747 ( -1.118 0.752 -1.730) 2.192 18.774 ( 2.440 0.387 2.380) 3.430 19.032 ( 0.448 -0.167 -1.980) 2.037 19.086 ( 3.993 0.070 2.354) 4.636 19.764 ( 1.225 0.169 4.233) 4.410 19.804 ( -3.739 0.452 -4.238) 5.670 ======================= Grid point 80 (32/93) ======================= q-point: ( 0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 3.304 0.551 2.483) 4.170 0.548 ( -0.290 2.428 -1.994) 3.155 0.672 ( 5.544 -1.140 0.409) 5.674 0.744 ( 1.248 0.611 -2.380) 2.756 0.791 ( -3.309 1.725 0.118) 3.734 0.893 ( -0.220 1.078 1.335) 1.730 1.012 ( -4.356 0.855 -0.567) 4.476 1.048 ( -1.144 -0.899 -2.371) 2.782 1.078 ( 2.320 -1.078 -0.088) 2.559 1.133 ( -1.261 -1.218 -1.346) 2.210 1.207 ( -0.107 -1.683 -0.338) 1.720 1.253 ( -2.338 -1.364 -0.838) 2.833 1.358 ( 2.774 -0.947 -2.444) 3.816 1.370 ( -1.766 2.585 -1.222) 3.361 1.468 ( 0.526 -2.615 -0.765) 2.775 1.618 ( -0.081 -0.987 -1.415) 1.727 1.642 ( -3.491 2.769 1.526) 4.710 1.787 ( 3.170 2.144 2.949) 4.831 1.844 ( 4.008 0.490 3.169) 5.133 1.909 ( -3.588 0.289 -5.184) 6.311 2.047 ( -4.184 -1.447 -6.508) 7.871 2.081 ( -2.325 0.067 -2.367) 3.319 2.201 ( 2.927 -1.482 2.312) 4.013 2.547 ( 11.647 -0.160 13.865) 18.108 2.637 ( -2.004 0.070 -1.396) 2.443 2.694 ( 2.446 -0.158 1.772) 3.025 2.857 ( 0.782 -0.395 1.284) 1.554 2.938 ( 3.164 -0.296 3.496) 4.724 3.256 ( -1.766 -0.053 -1.826) 2.541 3.273 ( -0.965 0.095 -0.937) 1.348 3.526 ( -3.538 0.843 -1.793) 4.055 3.629 ( 0.833 1.749 -0.353) 1.969 3.684 ( -0.272 0.752 0.149) 0.814 3.750 ( 1.261 0.006 1.728) 2.140 3.983 ( -0.795 0.457 0.611) 1.102 4.028 ( -1.234 0.317 -0.942) 1.585 4.401 ( 1.944 -0.651 2.245) 3.041 4.436 ( -0.086 1.078 -2.357) 2.593 4.634 ( -5.327 0.456 -5.211) 7.466 4.792 ( 2.215 0.196 2.428) 3.292 5.125 ( -4.656 -0.167 -4.347) 6.372 5.325 ( 3.483 -0.069 4.406) 5.617 5.773 ( -2.122 0.420 -2.343) 3.189 5.873 ( 1.988 -0.029 2.471) 3.172 6.516 ( -0.825 -0.189 -0.319) 0.904 6.530 ( 0.340 0.082 1.345) 1.390 6.740 ( -2.504 0.036 -3.216) 4.076 6.850 ( 1.945 0.180 1.688) 2.582 7.277 ( -0.163 0.687 -0.219) 0.739 7.283 ( 0.271 0.485 0.604) 0.821 7.515 ( -0.582 0.472 -0.649) 0.991 7.542 ( 0.303 0.181 0.564) 0.665 7.860 ( -0.008 0.279 0.024) 0.280 7.864 ( 0.064 0.265 -0.026) 0.274 16.340 ( -0.648 -0.640 -0.184) 0.930 16.369 ( -0.214 -0.077 -0.084) 0.242 17.054 ( 0.317 2.947 0.702) 3.046 17.095 ( 0.787 2.126 -0.582) 2.341 17.782 ( 0.395 -0.288 -0.148) 0.511 17.817 ( 1.255 -0.266 0.016) 1.283 18.717 ( -0.863 0.749 -1.409) 1.814 18.791 ( 2.177 1.163 2.146) 3.270 19.026 ( 0.110 0.109 -1.977) 1.984 19.123 ( 2.998 0.314 2.112) 3.680 19.749 ( -2.667 0.005 -2.784) 3.855 19.789 ( 0.672 0.520 2.664) 2.796 ======================= Grid point 81 (33/93) ======================= q-point: ( 0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( -3.011 2.099 -2.295) 4.329 0.542 ( 3.093 -0.276 -1.128) 3.303 0.685 ( -2.064 2.453 -0.060) 3.206 0.731 ( 2.482 -1.694 -1.199) 3.235 0.796 ( -1.796 -0.764 2.276) 2.998 0.901 ( 1.605 -0.723 1.272) 2.172 0.969 ( -2.109 -0.443 0.379) 2.188 1.039 ( -0.548 0.456 -0.038) 0.714 1.074 ( -2.018 -0.051 -3.574) 4.104 1.142 ( 2.143 -0.130 0.405) 2.185 1.227 ( -4.714 0.090 -3.746) 6.022 1.255 ( 0.900 -1.225 -3.164) 3.510 1.303 ( 0.770 2.902 4.710) 5.586 1.399 ( 2.253 -2.084 -1.512) 3.421 1.508 ( 0.592 -0.796 -0.338) 1.048 1.560 ( -2.866 4.120 -1.657) 5.285 1.596 ( -3.773 -1.018 -1.668) 4.249 1.769 ( 1.366 2.702 2.803) 4.126 1.862 ( -1.366 -1.444 -3.508) 4.032 1.901 ( 2.682 -0.497 1.847) 3.294 2.039 ( 0.021 -0.079 -3.197) 3.198 2.046 ( -2.287 -0.270 -0.901) 2.473 2.256 ( 2.769 -0.631 2.007) 3.478 2.603 ( -2.133 0.495 -1.648) 2.741 2.675 ( 4.526 -0.398 5.753) 7.331 2.725 ( 3.013 -0.227 3.008) 4.263 2.899 ( 4.470 -0.224 5.036) 6.738 2.982 ( 2.844 -0.009 3.257) 4.324 3.227 ( -3.124 -0.241 -3.350) 4.587 3.258 ( -1.251 -0.015 -0.958) 1.576 3.478 ( -2.726 0.393 -2.042) 3.428 3.604 ( 0.702 1.625 -0.365) 1.807 3.671 ( 0.075 0.611 0.143) 0.632 3.768 ( 1.214 0.241 2.130) 2.464 3.959 ( -0.622 0.992 -1.577) 1.965 4.024 ( -0.633 -0.683 0.049) 0.933 4.401 ( -0.308 1.407 -1.367) 1.986 4.436 ( 1.255 -0.663 1.348) 1.957 4.566 ( -4.177 0.030 -3.986) 5.774 4.816 ( 1.579 0.011 1.635) 2.273 5.084 ( -2.793 -0.468 -2.595) 3.841 5.368 ( 2.290 -0.168 2.834) 3.648 5.743 ( -1.351 0.336 -1.512) 2.055 5.899 ( 1.382 -0.199 1.705) 2.204 6.515 ( -0.380 -0.265 -0.148) 0.486 6.539 ( 0.602 -0.004 1.200) 1.343 6.707 ( -2.069 0.027 -2.558) 3.290 6.866 ( 1.160 0.146 1.029) 1.558 7.264 ( -0.055 0.552 -0.166) 0.579 7.279 ( 0.129 0.361 0.398) 0.553 7.501 ( -0.262 0.304 -0.499) 0.640 7.543 ( 0.120 0.107 0.355) 0.390 7.856 ( -0.011 0.162 -0.001) 0.162 7.860 ( 0.056 0.235 0.000) 0.241 16.346 ( -0.341 -0.533 -0.206) 0.666 16.370 ( -0.051 -0.123 -0.025) 0.136 17.010 ( -0.110 2.267 0.590) 2.345 17.064 ( 0.667 1.606 -0.498) 1.809 17.788 ( 0.104 -0.206 -0.058) 0.238 17.827 ( 0.673 0.168 0.026) 0.694 18.697 ( -0.502 0.386 -0.676) 0.926 18.791 ( 1.318 1.197 1.253) 2.178 19.011 ( -0.347 0.564 -1.493) 1.634 19.141 ( 1.464 0.622 1.391) 2.113 19.731 ( -1.135 -0.714 -1.436) 1.965 19.792 ( 0.281 0.488 1.410) 1.518 ======================= Grid point 82 (34/93) ======================= q-point: (-0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( -3.573 1.100 -0.004) 3.738 0.561 ( 3.119 -0.164 -2.337) 3.900 0.648 ( -1.355 0.736 0.184) 1.554 0.755 ( -4.422 2.763 3.288) 6.164 0.771 ( 0.126 -2.642 -1.481) 3.031 0.973 ( 1.973 -3.095 0.642) 3.726 0.992 ( -0.154 -2.146 0.484) 2.205 1.012 ( -0.401 1.778 -1.396) 2.296 1.054 ( 0.550 0.587 2.080) 2.231 1.150 ( 2.597 1.195 -0.824) 2.975 1.155 ( -1.618 1.296 -2.795) 3.479 1.236 ( 0.770 2.392 0.083) 2.515 1.327 ( -0.280 -1.347 1.979) 2.410 1.372 ( -4.473 4.659 -2.182) 6.817 1.500 ( 0.089 -0.581 -2.693) 2.756 1.513 ( 1.373 -1.476 0.975) 2.239 1.607 ( -0.880 -1.745 0.743) 2.091 1.754 ( 0.181 0.749 2.115) 2.251 1.883 ( 1.630 -1.055 -0.968) 2.170 1.921 ( 0.265 0.065 0.498) 0.568 1.999 ( -1.741 0.857 -3.598) 4.088 2.054 ( 0.612 -0.002 0.873) 1.067 2.272 ( 0.636 1.541 0.780) 1.840 2.583 ( -0.439 -0.349 -0.562) 0.794 2.696 ( 0.044 0.466 0.711) 0.851 2.773 ( 1.136 -1.036 1.146) 1.917 2.967 ( 3.679 -0.295 3.653) 5.193 3.009 ( 1.052 0.219 1.678) 1.993 3.190 ( -2.291 -0.368 -2.698) 3.559 3.246 ( -0.895 -0.154 -0.346) 0.971 3.456 ( -0.816 -0.281 -0.581) 1.040 3.582 ( 0.353 1.149 -0.073) 1.205 3.667 ( 0.236 0.027 0.162) 0.287 3.777 ( 0.091 0.318 1.026) 1.078 3.932 ( 0.110 1.169 -0.709) 1.371 4.036 ( -0.098 -0.997 -0.319) 1.051 4.367 ( -0.387 1.618 -0.189) 1.674 4.458 ( 0.307 -0.592 0.089) 0.673 4.537 ( -1.259 -0.733 -1.103) 1.828 4.830 ( 0.509 -0.043 0.494) 0.711 5.071 ( -0.737 -0.481 -0.754) 1.159 5.394 ( 0.783 -0.333 0.846) 1.200 5.728 ( -0.366 -0.011 -0.464) 0.591 5.917 ( 0.430 -0.303 0.489) 0.718 6.516 ( -0.043 -0.165 -0.086) 0.191 6.550 ( 0.409 -0.329 0.575) 0.778 6.685 ( -0.815 0.077 -0.972) 1.271 6.873 ( 0.344 0.069 0.257) 0.435 7.254 ( -0.116 0.409 0.002) 0.425 7.277 ( -0.028 0.034 0.241) 0.245 7.496 ( 0.086 0.060 -0.200) 0.226 7.544 ( -0.029 -0.140 0.097) 0.173 7.855 ( 0.002 -0.083 0.003) 0.083 7.857 ( 0.020 0.109 -0.004) 0.111 16.349 ( -0.065 -0.049 -0.062) 0.103 16.370 ( 0.010 0.123 0.017) 0.124 16.985 ( -0.408 0.516 0.605) 0.893 17.050 ( 0.385 0.026 -0.542) 0.665 17.790 ( -0.080 0.008 0.008) 0.081 17.821 ( 0.005 0.738 -0.008) 0.738 18.686 ( -0.267 0.343 -0.087) 0.443 18.790 ( 0.500 -0.147 0.291) 0.596 18.988 ( -0.451 0.970 -0.502) 1.182 19.138 ( -0.088 0.845 0.611) 1.047 19.725 ( -0.154 0.805 -0.165) 0.836 19.806 ( 0.283 -1.809 0.140) 1.836 ======================= Grid point 83 (35/93) ======================= q-point: (-0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( -0.663 2.743 4.540) 5.346 0.557 ( -2.645 6.663 -1.983) 7.438 0.596 ( 1.164 -2.020 -2.824) 3.662 0.730 ( 0.665 0.134 5.863) 5.902 0.827 ( 1.307 -3.156 -0.453) 3.446 0.915 ( -4.439 2.316 -2.766) 5.720 1.007 ( 0.427 0.857 0.829) 1.266 1.041 ( 2.276 3.327 3.985) 5.668 1.091 ( 0.698 -4.097 1.613) 4.458 1.138 ( -0.650 0.463 -4.456) 4.527 1.161 ( 4.069 0.962 1.065) 4.315 1.193 ( 0.149 0.320 1.549) 1.588 1.265 ( 0.282 3.706 1.394) 3.969 1.347 ( -0.944 -0.998 -0.418) 1.436 1.490 ( 0.286 0.420 -0.007) 0.509 1.589 ( 0.442 -3.489 -0.311) 3.531 1.643 ( 1.484 -2.208 1.703) 3.159 1.764 ( -2.347 -1.669 1.327) 3.170 1.873 ( -0.854 1.772 -1.268) 2.340 1.939 ( 2.836 -0.244 0.406) 2.875 1.950 ( -1.535 1.084 -3.873) 4.305 2.061 ( 1.217 0.705 2.068) 2.501 2.223 ( -1.207 3.326 -0.083) 3.539 2.601 ( 0.987 -0.932 1.074) 1.731 2.685 ( -1.031 0.246 -0.163) 1.072 2.783 ( -1.305 -0.517 -2.282) 2.679 2.967 ( -4.921 -0.729 -6.011) 7.802 3.000 ( -2.047 0.231 -1.590) 2.602 3.204 ( 3.330 -0.343 3.348) 4.735 3.248 ( 0.251 -0.265 0.581) 0.686 3.471 ( 1.303 -0.911 1.744) 2.360 3.571 ( 0.141 0.373 0.692) 0.798 3.676 ( 0.467 -0.489 0.553) 0.874 3.768 ( -1.086 0.179 -0.358) 1.157 3.914 ( 0.529 1.082 0.592) 1.343 4.055 ( 0.577 -1.091 -0.146) 1.243 4.338 ( -0.198 1.575 0.957) 1.854 4.466 ( -0.208 -0.609 -0.928) 1.129 4.559 ( 1.701 -1.184 1.773) 2.728 4.830 ( -0.561 -0.028 -0.684) 0.885 5.080 ( 1.097 -0.346 0.985) 1.515 5.398 ( -1.006 -0.386 -1.316) 1.701 5.733 ( 0.595 -0.377 0.613) 0.934 5.920 ( -0.672 -0.340 -0.932) 1.198 6.518 ( 0.102 -0.010 0.030) 0.107 6.560 ( -0.428 -0.627 -0.535) 0.928 6.685 ( 1.165 0.124 1.224) 1.694 6.871 ( -0.441 -0.001 -0.603) 0.747 7.248 ( -0.072 0.197 0.287) 0.355 7.280 ( -0.128 -0.387 0.259) 0.483 7.498 ( 0.311 -0.118 0.197) 0.387 7.548 ( -0.157 -0.401 -0.194) 0.473 7.857 ( -0.010 -0.056 0.019) 0.060 7.858 ( 0.012 -0.299 -0.024) 0.301 16.347 ( 0.295 0.388 0.369) 0.612 16.366 ( -0.029 0.419 0.084) 0.428 16.992 ( -0.427 -1.331 0.684) 1.556 17.064 ( 0.138 -1.616 -0.647) 1.746 17.788 ( -0.032 0.222 0.022) 0.226 17.802 ( -0.384 1.122 -0.020) 1.187 18.679 ( 0.087 0.373 0.490) 0.622 18.807 ( -0.505 -1.654 -0.968) 1.982 18.969 ( 0.374 1.059 0.915) 1.448 19.117 ( -1.419 0.895 -0.017) 1.678 19.702 ( 0.331 1.761 0.844) 1.981 19.855 ( 0.141 -3.226 -1.001) 3.381 ======================= Grid point 84 (36/93) ======================= q-point: (-0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.332 ( 3.319 4.663 5.475) 7.921 0.372 ( -0.200 8.647 2.471) 8.995 0.654 ( 0.540 -3.911 -3.679) 5.396 0.737 ( 3.601 5.838 7.220) 9.958 0.850 ( -2.077 -1.999 3.271) 4.360 0.919 ( 1.202 -2.987 0.096) 3.221 0.967 ( 0.498 3.353 -0.979) 3.528 1.046 ( 3.069 0.947 1.465) 3.531 1.075 ( -1.719 0.644 -3.073) 3.580 1.131 ( -0.672 -1.346 0.659) 1.643 1.194 ( -1.418 -0.452 0.349) 1.528 1.239 ( 5.950 1.364 3.638) 7.106 1.243 ( 1.893 0.863 3.205) 3.821 1.367 ( 1.648 -2.011 -0.917) 2.757 1.490 ( 0.812 0.387 0.769) 1.183 1.603 ( -2.170 0.476 -2.600) 3.420 1.722 ( -0.053 -3.771 0.377) 3.790 1.770 ( -5.056 -1.806 -0.846) 5.436 1.830 ( -0.852 0.654 -0.931) 1.422 1.908 ( 0.606 0.739 -3.036) 3.183 1.962 ( 5.078 1.962 2.824) 6.133 2.068 ( 1.623 1.242 3.005) 3.634 2.158 ( -1.301 2.491 1.052) 3.001 2.626 ( -0.029 -0.540 0.769) 0.940 2.669 ( -1.977 -0.146 -2.038) 2.843 2.742 ( -5.727 -0.406 -7.495) 9.441 2.889 ( -5.029 0.519 -5.621) 7.560 2.964 ( -3.403 -0.032 -3.082) 4.591 3.253 ( 2.369 -0.404 1.873) 3.047 3.265 ( 1.419 -0.335 1.609) 2.172 3.522 ( 2.634 -1.311 3.602) 4.651 3.579 ( 0.226 -0.496 1.775) 1.857 3.690 ( 0.070 -0.130 0.056) 0.158 3.766 ( -0.450 -1.324 0.041) 1.399 3.911 ( 0.772 0.465 2.528) 2.684 4.079 ( 0.421 -1.045 -0.218) 1.148 4.319 ( 0.108 1.242 1.928) 2.296 4.469 ( 0.090 -0.571 -1.715) 1.809 4.616 ( 3.435 -1.183 3.584) 5.103 4.817 ( -1.335 -0.067 -1.627) 2.105 5.109 ( 2.541 -0.203 2.620) 3.656 5.378 ( -2.853 -0.324 -3.270) 4.352 5.754 ( 1.367 -0.475 1.505) 2.088 5.910 ( -1.681 -0.435 -2.161) 2.772 6.518 ( 0.023 0.104 0.236) 0.259 6.560 ( -1.063 -0.580 -1.098) 1.634 6.710 ( 2.717 -0.077 2.672) 3.812 6.860 ( -1.165 0.011 -1.506) 1.904 7.250 ( 0.208 -0.067 0.761) 0.792 7.293 ( -0.209 -1.033 0.448) 1.145 7.506 ( 0.439 -0.197 0.594) 0.765 7.553 ( -0.336 -0.475 -0.489) 0.760 7.859 ( -0.004 -0.158 0.060) 0.169 7.865 ( 0.003 -0.366 -0.072) 0.373 16.351 ( 0.893 -0.108 1.098) 1.420 16.357 ( -0.143 0.522 0.218) 0.583 17.027 ( -0.093 -2.246 0.846) 2.402 17.098 ( 0.027 -2.267 -0.792) 2.401 17.779 ( -0.282 0.993 0.051) 1.033 17.784 ( 0.376 0.387 -0.055) 0.543 18.683 ( 0.838 -0.022 1.343) 1.583 18.820 ( -1.928 -1.575 -2.453) 3.495 18.972 ( 2.163 0.594 2.150) 3.107 19.085 ( -2.269 0.738 -0.562) 2.452 19.686 ( 1.042 1.338 2.460) 2.988 19.899 ( -1.050 -2.761 -2.654) 3.971 ======================= Grid point 87 (37/93) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 2.429 -0.000 5.723) 6.217 0.634 ( 7.139 -0.000 -1.356) 7.266 0.636 ( 4.254 -0.000 3.067) 5.244 0.731 ( 1.596 -0.000 -2.577) 3.031 0.871 ( -1.347 0.000 -2.841) 3.144 0.945 ( -2.353 0.000 -1.570) 2.828 0.992 ( -0.419 0.000 0.217) 0.471 1.034 ( -3.489 0.000 0.283) 3.501 1.050 ( -2.680 0.000 -3.026) 4.042 1.115 ( 4.109 -0.000 0.291) 4.120 1.122 ( -2.273 0.000 2.745) 3.564 1.266 ( -4.410 0.000 -3.153) 5.421 1.276 ( 1.365 -0.000 -3.843) 4.078 1.377 ( 1.015 -0.000 -2.965) 3.134 1.512 ( 4.011 -0.000 1.317) 4.222 1.524 ( 0.352 -0.000 -2.072) 2.102 1.720 ( -3.424 0.000 3.148) 4.651 1.818 ( 5.157 -0.000 2.908) 5.921 1.881 ( -3.450 0.000 -2.546) 4.288 1.927 ( 2.302 -0.000 2.164) 3.159 2.004 ( -6.768 0.000 -10.272) 12.301 2.081 ( -1.316 0.000 -1.072) 1.697 2.163 ( 2.914 -0.000 2.481) 3.827 2.542 ( 10.861 -0.000 13.415) 17.260 2.637 ( -1.457 0.000 -0.884) 1.705 2.690 ( 3.572 -0.000 2.237) 4.215 2.851 ( 0.521 -0.000 1.143) 1.256 2.930 ( 3.402 -0.000 4.093) 5.322 3.255 ( -2.011 0.000 -1.553) 2.541 3.276 ( -0.790 0.000 -1.295) 1.517 3.547 ( -4.133 0.000 -1.572) 4.422 3.668 ( 0.465 -0.000 -0.762) 0.892 3.717 ( 0.798 -0.000 2.052) 2.202 3.724 ( 1.044 -0.000 -0.549) 1.180 4.001 ( -1.721 0.000 2.384) 2.941 4.034 ( -2.183 0.000 -2.150) 3.064 4.390 ( 2.391 -0.000 2.924) 3.777 4.457 ( 0.297 -0.000 -3.211) 3.225 4.645 ( -5.536 0.000 -5.187) 7.586 4.797 ( 1.925 -0.000 2.161) 2.894 5.123 ( -5.352 0.000 -4.740) 7.149 5.323 ( 3.431 -0.000 4.618) 5.753 5.783 ( -2.095 0.000 -2.245) 3.070 5.872 ( 1.736 -0.000 2.448) 3.001 6.511 ( -1.273 0.000 -0.558) 1.390 6.532 ( 0.322 -0.000 1.714) 1.744 6.742 ( -2.396 0.000 -3.245) 4.033 6.854 ( 1.992 -0.000 1.602) 2.556 7.293 ( -0.499 0.000 -0.655) 0.824 7.294 ( 0.301 -0.000 1.006) 1.050 7.526 ( -0.768 0.000 -0.759) 1.080 7.546 ( 0.393 -0.000 0.709) 0.810 7.867 ( 0.052 -0.000 0.148) 0.157 7.870 ( 0.015 -0.000 -0.150) 0.151 16.326 ( -0.930 0.000 -0.086) 0.934 16.369 ( -0.719 0.000 -0.534) 0.896 17.126 ( 0.847 -0.000 0.993) 1.305 17.138 ( 0.631 -0.000 -0.893) 1.093 17.778 ( 0.744 -0.000 -0.192) 0.768 17.810 ( 1.621 -0.000 -0.046) 1.622 18.736 ( -0.842 0.000 -1.869) 2.050 18.815 ( 2.691 -0.000 2.888) 3.947 19.029 ( 1.070 -0.000 -1.923) 2.201 19.130 ( 3.681 -0.000 2.320) 4.351 19.754 ( -3.807 0.000 -4.181) 5.655 19.797 ( 0.864 -0.000 4.115) 4.205 ======================= Grid point 88 (38/93) ======================= q-point: ( 0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 4.578 2.379 4.987) 7.175 0.604 ( 2.184 3.868 -3.922) 5.925 0.705 ( 4.835 -0.561 0.710) 4.919 0.759 ( 2.799 0.017 2.114) 3.507 0.815 ( -2.391 3.109 -1.494) 4.197 0.909 ( -2.363 -0.052 -0.833) 2.506 0.969 ( -3.685 0.066 -2.574) 4.495 1.014 ( -1.880 0.059 -0.926) 2.096 1.052 ( -0.340 -2.635 -2.021) 3.338 1.102 ( -0.963 -0.738 0.988) 1.565 1.173 ( -0.063 -1.117 -0.622) 1.280 1.226 ( 1.108 0.090 0.338) 1.162 1.315 ( 0.330 -3.558 -1.992) 4.091 1.381 ( 1.569 -0.644 -2.900) 3.359 1.472 ( 0.912 2.612 -0.095) 2.768 1.574 ( 0.295 -1.609 -2.344) 2.858 1.683 ( -3.780 1.739 2.465) 4.836 1.809 ( -6.095 -0.168 -5.245) 8.043 1.869 ( 4.722 0.581 2.396) 5.327 1.912 ( 1.071 2.226 0.459) 2.512 1.994 ( 0.725 -1.816 -0.866) 2.138 2.060 ( -1.650 0.328 -1.772) 2.443 2.211 ( 3.375 -1.115 1.962) 4.060 2.616 ( -2.176 0.243 -1.016) 2.414 2.659 ( 5.098 -0.508 6.992) 8.668 2.724 ( 1.955 0.067 0.590) 2.044 2.895 ( 5.646 0.016 6.938) 8.945 2.978 ( 3.016 -0.174 3.566) 4.673 3.223 ( -3.483 -0.021 -3.035) 4.620 3.262 ( -0.805 0.136 -1.079) 1.353 3.500 ( -3.577 0.521 -1.962) 4.113 3.661 ( 0.782 1.037 -0.556) 1.413 3.705 ( 0.559 1.320 0.376) 1.481 3.757 ( 1.414 -0.992 0.881) 1.939 3.985 ( -1.670 0.574 0.072) 1.767 4.010 ( -1.799 -0.213 -1.335) 2.251 4.424 ( 2.288 -0.067 2.474) 3.370 4.439 ( 0.118 0.572 -2.553) 2.619 4.576 ( -4.797 0.280 -4.071) 6.298 4.819 ( 1.471 0.085 1.525) 2.120 5.069 ( -3.742 -0.284 -2.964) 4.782 5.364 ( 2.049 -0.033 2.985) 3.621 5.757 ( -1.371 0.301 -1.387) 1.973 5.894 ( 1.059 -0.069 1.724) 2.024 6.502 ( -0.965 -0.280 -0.365) 1.069 6.542 ( 0.396 0.112 1.548) 1.602 6.709 ( -1.838 0.066 -2.570) 3.160 6.872 ( 1.290 0.146 1.003) 1.640 7.284 ( -0.085 0.423 -0.475) 0.642 7.295 ( 0.093 0.375 0.572) 0.690 7.514 ( -0.523 0.284 -0.566) 0.822 7.549 ( 0.146 0.160 0.441) 0.491 7.865 ( 0.010 0.251 0.048) 0.256 7.868 ( 0.057 0.135 -0.044) 0.153 16.323 ( -0.674 -0.498 -0.182) 0.857 16.363 ( -0.437 -0.170 -0.380) 0.604 17.110 ( 0.472 2.381 0.392) 2.459 17.132 ( 0.788 1.261 -0.329) 1.523 17.784 ( 0.611 -0.042 -0.003) 0.612 17.824 ( 1.397 -0.167 -0.034) 1.408 18.718 ( -0.307 0.566 -1.192) 1.354 18.838 ( 1.811 0.923 1.999) 2.851 19.028 ( 1.138 0.304 -1.396) 1.827 19.162 ( 2.446 0.445 1.872) 3.112 19.711 ( -2.443 -0.174 -2.867) 3.771 19.814 ( 0.070 0.382 2.757) 2.784 ======================= Grid point 89 (39/93) ======================= q-point: ( 0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -0.025 4.954 -2.240) 5.437 0.608 ( 5.251 2.463 3.923) 7.002 0.702 ( -3.276 1.903 -3.306) 5.028 0.739 ( 1.986 1.125 -0.244) 2.296 0.810 ( 1.940 0.535 5.399) 5.762 0.888 ( -2.538 -1.154 -1.313) 3.082 0.954 ( -0.627 -0.582 -0.409) 0.949 1.009 ( 1.794 -1.085 -0.320) 2.121 1.060 ( -2.804 0.216 0.354) 2.835 1.138 ( 0.906 -2.806 0.250) 2.959 1.170 ( -2.434 -0.378 -2.669) 3.632 1.248 ( 2.980 0.306 0.212) 3.003 1.361 ( 0.175 -0.413 1.973) 2.023 1.388 ( 2.399 -0.006 -2.836) 3.714 1.472 ( 0.889 -2.062 -0.129) 2.249 1.548 ( -1.939 1.146 -4.093) 4.672 1.625 ( -2.604 3.446 1.475) 4.564 1.778 ( -2.366 -2.085 -0.722) 3.235 1.863 ( 1.401 2.636 1.415) 3.304 1.923 ( 2.183 -0.333 0.500) 2.264 2.023 ( -0.377 -0.221 -2.664) 2.700 2.032 ( 0.043 -0.214 0.429) 0.482 2.266 ( 2.335 -1.251 0.804) 2.768 2.586 ( -1.809 0.437 -0.839) 2.041 2.716 ( 1.418 0.539 1.374) 2.047 2.731 ( 0.182 -1.220 0.899) 1.526 2.970 ( 3.738 0.329 4.317) 5.720 3.012 ( 1.159 -0.111 1.741) 2.094 3.179 ( -2.743 -0.194 -2.499) 3.716 3.250 ( -0.312 0.274 -0.036) 0.417 3.462 ( -1.532 0.475 -0.735) 1.765 3.640 ( 0.902 1.746 -0.544) 2.039 3.687 ( 0.161 1.005 -0.188) 1.035 3.780 ( 0.319 -0.230 0.443) 0.592 3.965 ( 0.098 0.569 -1.201) 1.333 4.000 ( -1.693 -0.803 -0.457) 1.929 4.417 ( 0.371 1.040 -1.454) 1.826 4.449 ( 1.195 0.060 1.437) 1.870 4.529 ( -2.036 0.168 -1.006) 2.277 4.831 ( 0.640 0.089 0.655) 0.920 5.047 ( -1.433 -0.711 -0.802) 1.789 5.385 ( 0.404 -0.129 0.932) 1.023 5.738 ( -0.448 0.445 -0.440) 0.770 5.908 ( 0.246 -0.179 0.698) 0.761 6.502 ( -0.509 -0.523 -0.222) 0.762 6.547 ( -0.138 0.072 0.492) 0.516 6.689 ( -0.412 0.148 -0.739) 0.859 6.879 ( 0.497 0.231 0.316) 0.633 7.273 ( 0.100 0.576 -0.259) 0.640 7.289 ( -0.064 0.513 0.207) 0.557 7.504 ( -0.094 0.325 -0.296) 0.449 7.547 ( -0.104 0.225 0.144) 0.287 7.860 ( 0.005 0.301 0.021) 0.302 7.865 ( 0.050 0.253 -0.015) 0.258 16.330 ( -0.272 -0.795 -0.102) 0.846 16.364 ( -0.172 -0.368 -0.252) 0.478 17.063 ( 0.094 3.165 0.444) 3.198 17.103 ( 0.632 2.223 -0.416) 2.348 17.789 ( 0.369 -0.031 0.182) 0.412 17.835 ( 0.798 0.043 -0.116) 0.807 18.702 ( 0.083 0.687 -0.350) 0.775 18.830 ( 0.535 1.622 0.560) 1.797 19.022 ( 1.050 0.829 -0.396) 1.396 19.170 ( 0.863 0.888 0.805) 1.477 19.699 ( -0.665 -0.973 -1.107) 1.617 19.811 ( -0.519 0.776 1.167) 1.495 ======================= Grid point 90 (40/93) ======================= q-point: ( 0.62 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 0.978 3.125 1.360) 3.545 0.612 ( 3.342 2.665 -0.398) 4.293 0.658 ( -0.854 -0.311 3.384) 3.503 0.739 ( 0.741 0.097 -0.910) 1.177 0.809 ( -0.453 2.364 5.745) 6.229 0.917 ( -1.409 -1.929 -2.641) 3.561 0.949 ( -0.825 -1.627 0.081) 1.826 1.028 ( -1.756 0.598 0.811) 2.025 1.083 ( 4.703 -1.269 3.924) 6.255 1.134 ( 0.329 0.291 -2.335) 2.375 1.199 ( 2.573 -1.607 -1.042) 3.208 1.248 ( 0.136 1.370 -0.336) 1.417 1.327 ( -3.440 2.591 0.077) 4.307 1.406 ( 0.668 -0.115 -0.462) 0.820 1.491 ( 0.599 1.738 -2.452) 3.064 1.521 ( 0.994 -1.488 -0.282) 1.812 1.576 ( -0.047 0.115 2.569) 2.572 1.783 ( -1.188 1.163 0.899) 1.890 1.876 ( 2.952 -1.611 2.685) 4.303 1.929 ( -0.293 0.675 -0.775) 1.069 1.986 ( -1.098 0.867 -3.458) 3.730 2.060 ( 1.417 -0.666 1.353) 2.069 2.287 ( -0.360 0.058 -1.032) 1.095 2.576 ( 0.508 -0.250 0.608) 0.831 2.698 ( -1.913 0.255 -1.937) 2.734 2.759 ( -0.378 -0.547 0.347) 0.750 2.953 ( -5.031 -0.069 -5.775) 7.660 3.009 ( -1.646 0.124 -1.449) 2.197 3.192 ( 3.106 -0.314 3.636) 4.792 3.248 ( 0.494 0.302 1.215) 1.346 3.454 ( 0.655 0.015 1.147) 1.321 3.611 ( 0.608 1.776 -0.389) 1.917 3.674 ( 0.038 0.457 -0.160) 0.486 3.773 ( -1.612 0.094 -1.202) 2.013 3.953 ( 0.996 0.928 -0.450) 1.434 4.010 ( -0.511 -1.433 -0.180) 1.532 4.395 ( 0.623 1.453 -0.165) 1.590 4.454 ( -0.342 0.007 -0.062) 0.347 4.533 ( 1.710 -0.234 2.590) 3.112 4.831 ( -0.512 0.098 -0.523) 0.739 5.060 ( 0.854 -0.781 1.220) 1.682 5.384 ( -1.250 -0.321 -1.217) 1.774 5.732 ( 0.595 0.306 0.622) 0.914 5.910 ( -0.735 -0.231 -0.600) 0.976 6.508 ( -0.159 -0.511 -0.200) 0.571 6.543 ( -0.771 -0.255 -0.589) 1.003 6.692 ( 1.327 0.245 1.427) 1.964 6.876 ( -0.312 0.235 -0.456) 0.600 7.263 ( 0.064 0.580 -0.058) 0.586 7.280 ( -0.190 0.344 0.010) 0.393 7.500 ( 0.309 0.195 0.050) 0.368 7.542 ( -0.289 0.087 -0.149) 0.337 7.856 ( 0.014 0.168 0.033) 0.172 7.861 ( 0.014 0.246 -0.028) 0.248 16.343 ( 0.044 -0.640 0.082) 0.647 16.368 ( -0.066 -0.276 -0.186) 0.339 17.013 ( -0.226 2.458 0.588) 2.537 17.068 ( 0.393 1.755 -0.587) 1.892 17.792 ( 0.180 0.051 0.315) 0.366 17.833 ( 0.167 0.496 -0.224) 0.569 18.693 ( 0.329 0.466 0.332) 0.660 18.802 ( -0.483 1.322 -0.656) 1.553 19.013 ( 1.092 1.263 0.760) 1.834 19.155 ( -0.466 1.103 -0.258) 1.225 19.719 ( 0.488 -1.232 0.080) 1.328 19.795 ( -0.735 0.428 0.040) 0.852 ======================= Grid point 91 (41/93) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 2.648 1.273 4.435) 5.320 0.588 ( 1.412 0.875 -2.288) 2.828 0.659 ( 0.080 5.314 3.020) 6.112 0.751 ( 1.050 -2.031 2.796) 3.612 0.817 ( 0.592 -1.049 3.843) 4.027 0.883 ( -0.066 1.353 -3.550) 3.799 1.011 ( -1.047 -2.719 2.158) 3.626 1.030 ( 0.058 -1.624 1.908) 2.507 1.119 ( 0.789 0.819 2.424) 2.677 1.131 ( 0.299 2.172 -4.553) 5.054 1.194 ( -0.728 1.006 0.015) 1.241 1.217 ( 0.325 1.332 0.295) 1.403 1.296 ( 1.920 -1.867 -0.421) 2.711 1.385 ( 0.683 2.815 1.691) 3.354 1.496 ( 3.081 -0.021 -0.183) 3.086 1.555 ( 0.616 -1.717 2.847) 3.381 1.620 ( 1.203 -1.898 2.248) 3.179 1.746 ( -2.332 1.243 0.414) 2.675 1.887 ( -2.046 1.781 -2.470) 3.668 1.938 ( -0.738 0.300 -1.698) 1.876 1.967 ( 5.392 -0.879 2.226) 5.899 2.088 ( 1.690 -0.082 2.564) 3.072 2.250 ( -2.083 1.693 -2.115) 3.418 2.605 ( 1.883 -0.747 2.008) 2.853 2.654 ( -5.910 -0.486 -6.456) 8.766 2.733 ( -3.916 0.230 -3.898) 5.530 2.892 ( -3.241 -0.370 -3.825) 5.027 2.973 ( -3.012 0.363 -3.053) 4.304 3.241 ( 2.767 -0.248 2.902) 4.017 3.258 ( 1.034 0.087 1.646) 1.946 3.483 ( 2.237 -0.710 2.879) 3.715 3.588 ( 0.288 1.074 0.167) 1.124 3.673 ( 0.146 -0.332 0.200) 0.414 3.746 ( -2.418 -0.085 -2.093) 3.199 3.945 ( 1.294 1.085 0.896) 1.912 4.033 ( -0.088 -1.477 -0.532) 1.572 4.375 ( 0.811 1.705 1.014) 2.143 4.449 ( -0.766 -0.407 -0.961) 1.294 4.581 ( 3.826 -0.546 4.466) 5.906 4.815 ( -1.607 0.018 -1.757) 2.381 5.096 ( 2.599 -0.537 2.888) 3.922 5.364 ( -2.865 -0.417 -3.198) 4.314 5.744 ( 1.535 -0.008 1.652) 2.255 5.898 ( -1.736 -0.243 -1.957) 2.627 6.515 ( -0.001 -0.358 -0.105) 0.373 6.540 ( -0.900 -0.495 -0.860) 1.339 6.713 ( 2.467 0.219 2.678) 3.648 6.862 ( -1.084 0.168 -1.298) 1.699 7.255 ( 0.093 0.382 0.222) 0.451 7.275 ( -0.274 -0.038 -0.066) 0.284 7.502 ( 0.491 0.023 0.412) 0.642 7.539 ( -0.385 -0.192 -0.428) 0.607 7.855 ( 0.009 -0.059 0.023) 0.064 7.857 ( -0.007 0.101 -0.023) 0.104 16.353 ( 0.280 -0.209 0.328) 0.479 16.369 ( -0.107 0.035 -0.126) 0.169 16.985 ( -0.300 0.581 0.736) 0.985 17.049 ( 0.225 0.163 -0.739) 0.790 17.793 ( 0.179 0.187 0.344) 0.430 17.819 ( -0.136 0.927 -0.264) 0.973 18.692 ( 0.547 0.411 0.783) 1.040 18.778 ( -1.098 -0.071 -1.435) 1.808 19.007 ( 1.643 1.267 1.841) 2.774 19.123 ( -1.346 1.186 -1.021) 2.064 19.732 ( 0.633 0.676 0.777) 1.209 19.800 ( -0.631 -1.932 -0.814) 2.189 ======================= Grid point 92 (42/93) ======================= q-point: (-0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( 3.199 1.927 3.526) 5.136 0.530 ( 0.468 7.042 1.031) 7.132 0.600 ( 2.164 -0.570 -2.491) 3.349 0.809 ( -3.562 -1.609 2.514) 4.647 0.824 ( 1.144 0.499 -3.248) 3.480 0.891 ( 3.244 -1.140 2.973) 4.546 1.026 ( 1.398 1.790 2.126) 3.111 1.038 ( -3.583 -0.122 -2.392) 4.309 1.092 ( 0.414 -0.375 -0.096) 0.567 1.129 ( 1.734 0.611 4.371) 4.742 1.173 ( -1.632 -0.396 -0.210) 1.693 1.256 ( 3.312 -2.130 1.755) 4.311 1.342 ( 0.043 2.578 0.114) 2.580 1.355 ( 3.868 -1.382 -0.225) 4.114 1.520 ( 2.917 1.030 3.483) 4.658 1.587 ( -1.749 -0.282 0.209) 1.784 1.676 ( 1.690 -2.031 2.278) 3.489 1.711 ( -3.752 0.052 0.089) 3.753 1.819 ( -3.154 1.250 -3.714) 5.030 1.916 ( 2.120 0.505 -3.184) 3.858 2.058 ( 7.905 -0.050 7.834) 11.129 2.115 ( 2.289 0.613 3.479) 4.209 2.188 ( -1.971 2.090 -1.596) 3.287 2.536 ( -12.638 -0.940 -14.198) 19.031 2.641 ( 1.178 -0.435 1.262) 1.780 2.690 ( -1.567 0.389 -1.351) 2.105 2.870 ( -0.717 0.391 -0.555) 0.988 2.927 ( -2.635 0.385 -2.987) 4.002 3.267 ( 1.206 -0.090 0.900) 1.508 3.276 ( 0.777 -0.274 1.045) 1.330 3.534 ( 1.891 -1.131 2.912) 3.652 3.585 ( 0.424 -0.172 1.108) 1.199 3.686 ( 0.287 -0.441 0.197) 0.562 3.727 ( -2.121 -1.171 -1.363) 2.780 3.945 ( 1.338 0.968 2.326) 2.852 4.053 ( -0.431 -1.424 -1.142) 1.875 4.358 ( 0.897 1.638 1.895) 2.661 4.449 ( -0.296 -0.776 -1.665) 1.860 4.649 ( 4.153 -0.774 4.736) 6.346 4.789 ( -2.479 -0.183 -2.816) 3.756 5.147 ( 3.761 -0.275 4.237) 5.673 5.322 ( -4.295 -0.350 -4.709) 6.383 5.771 ( 2.182 -0.257 2.416) 3.265 5.874 ( -2.456 -0.320 -2.921) 3.830 6.519 ( -0.065 -0.113 0.167) 0.212 6.538 ( -0.838 -0.489 -0.743) 1.222 6.747 ( 2.946 0.041 3.011) 4.213 6.840 ( -1.745 0.089 -2.134) 2.758 7.255 ( 0.309 0.002 0.637) 0.708 7.277 ( -0.330 -0.531 -0.080) 0.630 7.510 ( 0.473 -0.152 0.687) 0.848 7.538 ( -0.438 -0.400 -0.642) 0.874 7.857 ( -0.028 -0.099 0.013) 0.104 7.859 ( 0.027 -0.252 -0.019) 0.254 16.359 ( 0.396 -0.009 0.549) 0.677 16.364 ( -0.212 0.341 -0.008) 0.402 16.996 ( -0.047 -1.454 0.900) 1.711 17.060 ( 0.222 -1.510 -0.861) 1.752 17.790 ( 0.052 0.480 0.105) 0.494 17.801 ( 0.403 0.879 -0.086) 0.971 18.698 ( 1.068 0.044 1.414) 1.772 18.770 ( -1.521 -1.026 -2.034) 2.739 19.016 ( 2.652 0.798 2.490) 3.724 19.084 ( -1.525 1.111 -1.539) 2.435 19.727 ( 0.942 1.031 1.988) 2.429 19.828 ( -1.431 -2.456 -2.156) 3.568 ======================= Grid point 96 (43/93) ======================= q-point: ( 0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 0.502 -0.000 -6.351) 6.371 0.665 ( 2.776 -0.000 6.233) 6.823 0.741 ( 5.299 -0.000 0.449) 5.318 0.788 ( -0.530 0.000 -3.099) 3.144 0.846 ( 2.461 -0.000 4.343) 4.992 0.847 ( -4.836 0.000 -3.577) 6.015 0.945 ( -0.425 0.000 -0.745) 0.857 1.003 ( 0.070 -0.000 -1.501) 1.502 1.013 ( -0.597 0.000 0.480) 0.766 1.080 ( -3.526 0.000 1.772) 3.946 1.191 ( 2.585 -0.000 0.677) 2.673 1.233 ( -1.600 0.000 3.557) 3.901 1.281 ( 3.948 -0.000 -1.271) 4.147 1.382 ( 3.995 -0.000 -4.239) 5.825 1.505 ( -0.705 0.000 -0.834) 1.092 1.556 ( 1.472 -0.000 -0.679) 1.621 1.661 ( -4.271 0.000 0.389) 4.288 1.753 ( -3.094 0.000 -2.918) 4.253 1.908 ( 2.167 -0.000 0.233) 2.179 1.948 ( -0.764 0.000 -0.348) 0.839 1.982 ( 2.038 -0.000 1.067) 2.300 2.044 ( -1.051 0.000 -1.143) 1.553 2.236 ( 2.724 -0.000 1.489) 3.105 2.598 ( -1.766 0.000 -0.401) 1.811 2.701 ( 0.958 -0.000 2.219) 2.417 2.729 ( 0.905 -0.000 -0.237) 0.935 2.980 ( 3.957 -0.000 5.269) 6.589 3.006 ( 1.068 -0.000 1.570) 1.899 3.176 ( -3.126 0.000 -2.515) 4.012 3.257 ( 0.026 -0.000 -0.010) 0.028 3.473 ( -1.947 0.000 -0.927) 2.156 3.673 ( 0.625 -0.000 -0.217) 0.662 3.722 ( -0.507 0.000 -1.073) 1.187 3.763 ( 2.341 -0.000 0.334) 2.365 3.971 ( -2.790 0.000 0.065) 2.790 3.989 ( -0.503 0.000 -2.018) 2.080 4.436 ( 0.649 -0.000 -2.087) 2.186 4.452 ( 1.615 -0.000 2.110) 2.657 4.535 ( -2.368 0.000 -1.019) 2.578 4.833 ( 0.640 -0.000 0.680) 0.934 5.032 ( -1.838 0.000 -0.918) 2.054 5.383 ( 0.319 -0.000 1.034) 1.083 5.748 ( -0.509 0.000 -0.391) 0.642 5.904 ( 0.137 -0.000 0.810) 0.822 6.491 ( -0.699 0.000 -0.273) 0.750 6.549 ( -0.333 0.000 0.423) 0.538 6.693 ( -0.276 0.000 -0.625) 0.683 6.884 ( 0.545 -0.000 0.331) 0.637 7.286 ( 0.097 -0.000 -0.441) 0.451 7.301 ( -0.128 0.000 0.228) 0.261 7.511 ( -0.268 0.000 -0.321) 0.418 7.553 ( -0.061 0.000 0.156) 0.167 7.868 ( -0.008 0.000 0.100) 0.100 7.869 ( 0.063 -0.000 -0.089) 0.109 16.313 ( -0.423 0.000 -0.129) 0.442 16.355 ( -0.326 0.000 -0.449) 0.555 17.142 ( 0.238 -0.000 0.513) 0.565 17.143 ( 0.758 -0.000 -0.515) 0.916 17.789 ( 0.568 -0.000 0.193) 0.600 17.833 ( 1.107 -0.000 -0.076) 1.110 18.720 ( 0.322 -0.000 -0.541) 0.630 18.864 ( 0.589 -0.000 0.789) 0.985 19.039 ( 1.649 -0.000 -0.308) 1.677 19.189 ( 1.044 -0.000 1.299) 1.666 19.684 ( -0.892 0.000 -1.689) 1.910 19.825 ( -0.882 0.000 1.695) 1.911 ======================= Grid point 97 (44/93) ======================= q-point: ( 0.50 0.38 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 1.263 3.390 -3.959) 5.363 0.650 ( -5.836 0.424 -0.998) 5.936 0.725 ( 0.443 2.501 -3.530) 4.349 0.781 ( 1.399 1.722 0.917) 2.401 0.824 ( 0.035 -0.898 -0.023) 0.899 0.893 ( 5.005 1.254 7.133) 8.803 0.958 ( 1.813 0.285 0.542) 1.913 1.012 ( 0.106 -0.952 0.797) 1.246 1.038 ( 0.816 -1.976 -0.141) 2.143 1.081 ( -2.070 -2.119 3.165) 4.335 1.173 ( 0.637 1.983 0.056) 2.083 1.277 ( 0.260 -1.251 2.710) 2.996 1.330 ( 2.182 -2.402 1.803) 3.713 1.399 ( 4.709 0.256 -4.316) 6.393 1.478 ( -0.585 1.275 -0.911) 1.672 1.548 ( -0.224 1.292 -2.341) 2.683 1.644 ( -2.259 0.181 1.256) 2.591 1.736 ( 0.637 -1.049 0.731) 1.428 1.916 ( -0.467 0.716 -1.023) 1.334 1.921 ( 0.194 0.670 -0.216) 0.730 1.996 ( -1.216 -0.756 -2.426) 2.817 2.046 ( 1.913 0.185 1.921) 2.718 2.261 ( 0.496 -0.730 -0.069) 0.886 2.585 ( -0.255 0.443 0.462) 0.689 2.689 ( -3.074 -0.545 -3.197) 4.468 2.754 ( 2.044 0.124 2.903) 3.552 2.957 ( -6.629 0.174 -7.132) 9.738 3.007 ( -1.536 -0.145 -1.179) 1.941 3.184 ( 3.070 -0.112 4.266) 5.257 3.262 ( 0.836 0.289 1.415) 1.668 3.463 ( 0.198 0.259 0.752) 0.820 3.669 ( 0.639 0.955 -0.253) 1.176 3.701 ( -0.357 0.850 -1.704) 1.937 3.774 ( -0.361 -0.064 -1.215) 1.269 3.960 ( -0.947 -0.771 -0.056) 1.223 3.979 ( 0.193 0.179 -1.369) 1.394 4.432 ( 1.381 0.564 -0.982) 1.786 4.461 ( -0.674 0.225 0.517) 0.879 4.535 ( 1.707 0.165 3.103) 3.545 4.835 ( -0.431 0.080 -0.292) 0.526 5.034 ( 0.783 -0.506 1.440) 1.715 5.378 ( -1.429 -0.037 -1.132) 1.823 5.745 ( 0.471 0.286 0.600) 0.814 5.904 ( -0.757 -0.089 -0.256) 0.804 6.489 ( -0.210 -0.384 -0.146) 0.462 6.540 ( -1.192 0.010 -1.053) 1.591 6.700 ( 1.479 0.152 1.713) 2.268 6.884 ( -0.240 0.169 -0.367) 0.470 7.282 ( 0.188 0.353 -0.297) 0.498 7.296 ( -0.279 0.348 -0.092) 0.455 7.508 ( 0.163 0.191 -0.017) 0.251 7.549 ( -0.280 0.190 -0.152) 0.370 7.866 ( 0.000 0.264 0.040) 0.267 7.869 ( 0.033 0.123 -0.025) 0.130 16.316 ( -0.055 -0.581 0.030) 0.585 16.354 ( -0.098 -0.316 -0.427) 0.540 17.117 ( 0.048 2.450 0.246) 2.462 17.139 ( 0.408 1.302 -0.293) 1.396 17.794 ( 0.370 0.051 0.410) 0.555 17.840 ( 0.481 -0.011 -0.223) 0.530 18.718 ( 0.762 0.631 0.281) 1.028 18.854 ( -0.737 1.016 -0.696) 1.435 19.049 ( 1.656 0.612 0.884) 1.974 19.189 ( -0.433 0.666 0.154) 0.809 19.684 ( 0.925 -0.441 0.015) 1.025 19.816 ( -1.596 0.357 0.251) 1.654 ======================= Grid point 98 (45/93) ======================= q-point: (-0.38 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 3.150 3.853 0.517) 5.004 0.612 ( -4.474 -1.913 0.492) 4.891 0.678 ( 0.539 1.467 -2.472) 2.924 0.757 ( -0.234 0.770 -0.464) 0.929 0.828 ( -1.243 1.044 2.636) 3.096 0.943 ( 1.413 0.662 3.956) 4.253 0.963 ( 5.948 1.807 3.465) 7.117 1.013 ( -3.187 0.037 1.376) 3.472 1.097 ( 2.071 -1.614 2.587) 3.686 1.138 ( -0.387 -3.608 -0.975) 3.758 1.161 ( 3.568 0.443 0.038) 3.595 1.282 ( -1.984 1.133 1.864) 2.948 1.358 ( -0.684 2.863 -1.284) 3.212 1.409 ( 2.631 0.297 -1.965) 3.297 1.458 ( -0.231 -2.130 -1.534) 2.635 1.519 ( -0.275 0.067 -1.248) 1.280 1.633 ( 3.241 1.482 2.507) 4.357 1.787 ( 0.850 -0.440 2.945) 3.096 1.900 ( 0.622 -0.116 1.740) 1.852 1.911 ( -1.500 -0.326 -1.583) 2.205 1.982 ( 0.767 0.296 -2.276) 2.420 2.075 ( 2.221 -0.232 2.560) 3.397 2.263 ( -2.038 -0.598 -1.898) 2.848 2.588 ( 1.247 0.081 0.481) 1.339 2.640 ( -6.331 -0.444 -6.159) 8.844 2.756 ( -2.401 0.809 -1.429) 2.909 2.869 ( -4.153 -0.713 -5.245) 6.728 2.979 ( -3.068 -0.056 -2.838) 4.179 3.234 ( 2.930 -0.132 3.922) 4.897 3.270 ( 0.952 0.477 1.872) 2.153 3.475 ( 1.770 0.138 2.169) 2.803 3.645 ( 0.267 1.756 -0.993) 2.035 3.679 ( -0.247 0.522 -0.756) 0.951 3.751 ( -1.992 0.308 -2.292) 3.052 3.973 ( 0.273 0.090 -0.434) 0.521 3.978 ( 0.725 -1.128 -0.377) 1.393 4.428 ( 1.772 1.174 0.179) 2.133 4.445 ( -2.003 0.109 -0.494) 2.066 4.578 ( 4.282 0.235 5.312) 6.827 4.820 ( -1.638 0.189 -1.490) 2.222 5.073 ( 2.962 -0.688 3.353) 4.527 5.352 ( -2.901 -0.191 -3.098) 4.249 5.752 ( 1.495 0.380 1.609) 2.229 5.892 ( -1.651 -0.100 -1.472) 2.214 6.497 ( 0.167 -0.521 -0.122) 0.561 6.526 ( -1.130 -0.251 -1.244) 1.699 6.723 ( 2.394 0.288 2.899) 3.771 6.871 ( -1.033 0.288 -1.125) 1.554 7.274 ( 0.124 0.565 -0.122) 0.591 7.285 ( -0.358 0.441 -0.247) 0.619 7.508 ( 0.531 0.237 0.302) 0.655 7.541 ( -0.442 0.231 -0.430) 0.659 7.861 ( 0.005 0.296 0.060) 0.302 7.865 ( -0.003 0.264 -0.046) 0.268 16.331 ( 0.205 -0.854 0.202) 0.901 16.359 ( -0.007 -0.454 -0.423) 0.621 17.065 ( -0.353 3.197 0.440) 3.247 17.106 ( 0.271 2.309 -0.500) 2.378 17.797 ( 0.152 0.084 0.577) 0.602 17.838 ( -0.095 0.190 -0.394) 0.448 18.714 ( 0.965 0.882 0.968) 1.627 18.815 ( -1.494 1.488 -1.586) 2.638 19.052 ( 1.453 1.135 1.721) 2.522 19.164 ( -1.444 1.023 -0.954) 2.011 19.711 ( 1.900 -0.787 1.142) 2.353 19.793 ( -1.756 0.422 -0.794) 1.972 ======================= Grid point 99 (46/93) ======================= q-point: (-0.25 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 3.439 2.605 3.631) 5.639 0.609 ( 0.298 1.268 -1.562) 2.034 0.696 ( -2.055 -4.595 1.609) 5.285 0.748 ( 0.452 1.063 0.633) 1.318 0.795 ( -1.700 1.985 2.049) 3.321 0.955 ( -0.024 -1.294 2.420) 2.744 0.970 ( 1.150 2.671 2.344) 3.735 1.036 ( 2.649 -0.876 3.509) 4.483 1.135 ( 2.122 -0.250 2.065) 2.971 1.161 ( -1.113 1.490 -3.689) 4.131 1.188 ( 0.629 -0.857 -1.427) 1.780 1.206 ( -5.342 1.692 -0.836) 5.665 1.315 ( 3.625 1.042 -0.390) 3.792 1.404 ( 0.960 0.445 -2.150) 2.396 1.506 ( 1.605 -1.845 0.420) 2.481 1.532 ( -0.905 -1.896 0.341) 2.128 1.670 ( 5.589 0.929 5.498) 7.895 1.764 ( -2.096 2.291 1.149) 3.311 1.861 ( -4.852 0.242 -4.821) 6.844 1.936 ( 0.559 0.103 -0.690) 0.895 2.028 ( 8.313 -0.800 6.818) 10.782 2.116 ( 2.792 -0.457 3.584) 4.566 2.232 ( -3.132 0.273 -2.802) 4.211 2.508 ( -12.418 -0.572 -14.056) 18.764 2.625 ( 2.189 -0.281 2.229) 3.136 2.705 ( -2.459 0.445 -2.262) 3.370 2.864 ( 0.051 -0.582 0.201) 0.618 2.938 ( -3.011 0.110 -3.031) 4.274 3.267 ( 1.487 0.023 1.917) 2.426 3.277 ( 0.661 0.362 1.414) 1.602 3.506 ( 2.226 -0.367 2.791) 3.589 3.609 ( -0.519 1.395 -1.069) 1.832 3.672 ( 0.250 0.124 0.220) 0.356 3.718 ( -1.921 0.288 -2.458) 3.132 3.975 ( 0.722 0.255 0.400) 0.863 4.001 ( 0.374 -1.199 -0.859) 1.521 4.420 ( 1.688 1.654 1.035) 2.580 4.426 ( -2.024 -0.398 -1.020) 2.301 4.639 ( 4.830 0.173 5.569) 7.373 4.788 ( -2.725 0.171 -2.773) 3.891 5.132 ( 4.197 -0.512 4.584) 6.236 5.310 ( -4.007 -0.313 -4.562) 6.080 5.772 ( 2.322 0.273 2.490) 3.416 5.867 ( -2.398 -0.059 -2.577) 3.521 6.507 ( 0.271 -0.445 -0.077) 0.526 6.521 ( -0.615 -0.471 -0.740) 1.071 6.754 ( 2.695 0.288 3.167) 4.169 6.847 ( -1.766 0.301 -1.916) 2.624 7.264 ( 0.067 0.497 0.108) 0.513 7.274 ( -0.341 0.269 -0.258) 0.505 7.511 ( 0.534 0.190 0.532) 0.778 7.532 ( -0.398 0.053 -0.615) 0.734 7.857 ( 0.010 0.174 0.065) 0.186 7.860 ( -0.035 0.243 -0.058) 0.253 16.348 ( 0.315 -0.691 0.315) 0.822 16.364 ( -0.094 -0.318 -0.397) 0.518 17.013 ( -0.516 2.355 0.610) 2.487 17.066 ( 0.216 1.838 -0.637) 1.957 17.799 ( 0.057 0.100 0.598) 0.609 17.828 ( -0.323 0.485 -0.467) 0.747 18.712 ( 0.919 0.752 1.223) 1.705 18.770 ( -1.493 1.035 -1.724) 2.505 19.052 ( 1.581 1.157 2.285) 3.010 19.124 ( -2.035 1.076 -1.700) 2.862 19.746 ( 1.859 -0.489 1.251) 2.294 19.771 ( -1.508 -0.147 -1.070) 1.855 ======================= Grid point 100 (47/93) ======================= q-point: (-0.12 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 1.364 1.472 2.009) 2.840 0.584 ( 1.620 1.318 -2.823) 3.512 0.692 ( 1.997 5.525 2.056) 6.224 0.738 ( -4.282 -2.351 -0.882) 4.964 0.814 ( -0.119 -1.733 3.607) 4.004 0.933 ( 1.412 2.745 -2.568) 4.016 0.999 ( -2.915 -1.208 1.188) 3.372 1.062 ( -0.986 -1.317 1.774) 2.419 1.097 ( 2.564 1.773 1.949) 3.677 1.148 ( -2.496 -0.422 -0.912) 2.691 1.171 ( 1.206 0.088 2.016) 2.351 1.224 ( 1.120 -2.011 -1.121) 2.560 1.341 ( 2.467 -1.224 -2.308) 3.593 1.384 ( 1.318 1.788 -0.963) 2.421 1.544 ( -3.127 -1.211 -0.764) 3.439 1.560 ( 1.572 -1.527 1.730) 2.792 1.707 ( -1.821 1.314 1.396) 2.644 1.732 ( 4.887 1.258 5.749) 7.650 1.784 ( -5.004 0.819 -5.303) 7.337 1.929 ( 2.031 0.559 -2.424) 3.211 2.138 ( 4.123 -0.706 5.163) 6.645 2.164 ( -0.674 0.320 -0.335) 0.818 2.212 ( 7.601 0.509 8.150) 11.156 2.341 ( -13.150 -0.613 -14.961) 19.928 2.651 ( 0.362 -0.216 0.999) 1.084 2.685 ( 0.109 0.159 -0.408) 0.451 2.867 ( -0.931 0.080 0.099) 0.940 2.910 ( -0.306 0.177 -1.032) 1.091 3.279 ( 0.494 0.152 0.614) 0.803 3.281 ( 0.050 0.126 0.295) 0.324 3.541 ( 0.865 -0.547 1.757) 2.033 3.584 ( -0.731 0.091 -0.737) 1.042 3.685 ( 1.126 -0.609 1.371) 1.876 3.690 ( -1.584 -0.092 -1.812) 2.409 3.978 ( 0.462 0.296 0.823) 0.989 4.018 ( 0.086 -1.020 -1.032) 1.454 4.407 ( 1.210 1.761 1.451) 2.582 4.420 ( -1.114 -0.942 -1.314) 1.963 4.699 ( 3.878 -0.023 4.513) 5.950 4.746 ( -3.398 -0.063 -3.739) 5.052 5.198 ( 4.141 -0.258 4.795) 6.341 5.257 ( -4.184 -0.237 -4.873) 6.427 5.803 ( 2.578 0.071 2.867) 3.857 5.834 ( -2.589 -0.128 -3.008) 3.971 6.516 ( 0.200 -0.285 0.210) 0.407 6.523 ( -0.351 -0.373 -0.399) 0.649 6.786 ( 2.524 0.151 2.802) 3.774 6.815 ( -2.183 0.211 -2.523) 3.343 7.261 ( 0.129 0.115 0.374) 0.412 7.269 ( -0.228 -0.070 -0.183) 0.301 7.513 ( -0.052 -0.027 0.254) 0.260 7.529 ( 0.087 -0.128 -0.312) 0.349 7.855 ( -0.012 0.013 0.020) 0.027 7.857 ( -0.009 0.019 -0.020) 0.029 16.361 ( 0.217 -0.275 0.277) 0.446 16.364 ( -0.167 -0.037 -0.229) 0.286 16.987 ( -0.358 0.295 0.755) 0.886 17.046 ( 0.325 0.213 -0.717) 0.815 17.798 ( -0.059 0.296 0.258) 0.397 17.815 ( 0.110 0.520 -0.219) 0.575 18.714 ( 0.591 0.275 1.015) 1.206 18.744 ( -0.733 0.038 -1.201) 1.407 19.062 ( 2.156 0.714 2.546) 3.412 19.080 ( -2.021 0.902 -2.130) 3.072 19.755 ( 0.593 0.496 0.943) 1.219 19.776 ( -0.693 -1.266 -0.962) 1.734 ======================= Grid point 105 (48/93) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -7.641 0.000 -3.729) 8.502 0.588 ( 0.969 -0.000 -4.441) 4.546 0.713 ( 0.106 -0.000 -4.189) 4.191 0.791 ( -1.469 0.000 -0.667) 1.613 0.883 ( 4.793 -0.000 3.739) 6.078 0.964 ( 1.338 -0.000 0.691) 1.505 0.985 ( 1.010 -0.000 4.896) 4.999 1.008 ( 0.747 -0.000 1.990) 2.125 1.016 ( 1.838 -0.000 0.147) 1.844 1.080 ( 1.490 -0.000 5.514) 5.711 1.225 ( -0.048 0.000 1.771) 1.771 1.244 ( -1.186 0.000 4.026) 4.197 1.351 ( 3.000 -0.000 2.965) 4.218 1.422 ( 4.418 -0.000 -5.875) 7.351 1.470 ( -2.292 0.000 -1.993) 3.037 1.555 ( -0.269 0.000 -1.776) 1.796 1.630 ( -1.034 0.000 1.558) 1.870 1.765 ( 5.663 -0.000 4.770) 7.404 1.881 ( -2.338 0.000 -4.718) 5.266 1.955 ( -2.815 0.000 -2.417) 3.710 1.955 ( 2.387 -0.000 1.398) 2.766 2.076 ( 1.892 -0.000 2.560) 3.184 2.247 ( -1.948 0.000 -0.871) 2.134 2.599 ( 1.375 -0.000 1.483) 2.022 2.626 ( -6.503 0.000 -6.624) 9.283 2.773 ( -1.685 0.000 -0.393) 1.730 2.855 ( -5.343 0.000 -6.975) 8.786 2.976 ( -3.229 0.000 -2.751) 4.242 3.232 ( 2.918 -0.000 4.325) 5.218 3.281 ( 1.001 -0.000 1.909) 2.156 3.480 ( 1.615 -0.000 1.822) 2.435 3.681 ( 0.388 -0.000 -0.379) 0.542 3.693 ( -0.609 0.000 -2.490) 2.563 3.760 ( -1.421 0.000 -1.973) 2.431 3.944 ( -0.548 0.000 -0.117) 0.561 3.982 ( 1.400 -0.000 -1.184) 1.833 4.448 ( -2.711 0.000 -0.375) 2.737 4.450 ( 2.377 -0.000 -0.166) 2.383 4.585 ( 4.426 -0.000 5.599) 7.137 4.824 ( -1.557 0.000 -1.273) 2.011 5.058 ( 3.301 -0.000 3.676) 4.941 5.350 ( -3.036 0.000 -3.121) 4.354 5.761 ( 1.410 -0.000 1.557) 2.100 5.890 ( -1.605 0.000 -1.199) 2.004 6.486 ( 0.347 -0.000 0.023) 0.348 6.522 ( -1.365 0.000 -1.653) 2.144 6.729 ( 2.378 -0.000 3.034) 3.855 6.877 ( -1.007 0.000 -1.057) 1.460 7.285 ( 0.235 -0.000 -0.248) 0.341 7.295 ( -0.472 0.000 -0.358) 0.592 7.513 ( 0.526 -0.000 0.272) 0.592 7.547 ( -0.444 0.000 -0.453) 0.635 7.868 ( -0.098 0.000 0.034) 0.104 7.870 ( 0.099 -0.000 -0.012) 0.100 16.312 ( 0.217 -0.000 0.199) 0.294 16.349 ( 0.106 -0.000 -0.570) 0.579 17.142 ( -0.613 0.000 0.032) 0.614 17.151 ( 0.531 -0.000 -0.127) 0.546 17.799 ( 0.195 -0.000 0.616) 0.646 17.840 ( -0.122 0.000 -0.352) 0.373 18.735 ( 1.228 -0.000 1.011) 1.591 18.846 ( -1.869 0.000 -1.770) 2.574 19.075 ( 1.510 -0.000 1.904) 2.431 19.185 ( -1.702 0.000 -0.662) 1.827 19.699 ( 2.722 -0.000 1.403) 3.063 19.800 ( -2.489 0.000 -0.942) 2.661 ======================= Grid point 106 (49/93) ======================= q-point: (-0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( -6.005 -2.246 -1.464) 6.576 0.574 ( 0.513 0.393 -1.595) 1.721 0.696 ( 2.673 1.872 -2.385) 4.042 0.762 ( -0.952 0.901 -1.266) 1.822 0.884 ( 0.538 3.229 2.539) 4.143 0.970 ( -1.353 -0.754 -0.386) 1.596 0.995 ( 0.767 0.870 3.928) 4.096 1.026 ( 0.700 -1.408 1.206) 1.982 1.079 ( 0.665 -2.407 1.056) 2.711 1.133 ( 2.672 -0.233 4.852) 5.544 1.200 ( 1.469 1.822 2.773) 3.628 1.267 ( -3.301 -0.186 2.196) 3.969 1.390 ( 0.557 1.176 -3.282) 3.531 1.419 ( 1.129 -2.394 2.977) 3.984 1.441 ( 2.490 1.438 -4.766) 5.566 1.514 ( -1.451 1.639 -2.581) 3.384 1.660 ( 1.567 -1.748 2.431) 3.379 1.831 ( -1.127 0.581 -1.787) 2.191 1.844 ( 0.603 0.006 0.023) 0.604 1.923 ( -0.794 -0.371 0.135) 0.887 2.013 ( 7.619 -0.354 5.426) 9.360 2.101 ( 1.306 -0.194 2.555) 2.876 2.223 ( -3.088 -0.364 -1.289) 3.366 2.499 ( -12.358 -0.009 -13.445) 18.261 2.622 ( 2.108 0.040 1.842) 2.799 2.717 ( -4.192 0.149 -4.184) 5.925 2.846 ( 1.372 -0.248 1.609) 2.129 2.934 ( -3.744 -0.215 -3.156) 4.901 3.268 ( 1.637 -0.000 2.858) 3.293 3.293 ( 0.558 0.334 1.515) 1.649 3.504 ( 2.084 0.094 2.150) 2.995 3.659 ( -0.788 0.974 -3.280) 3.511 3.685 ( 0.176 0.340 0.388) 0.545 3.735 ( -1.270 0.428 -1.847) 2.282 3.946 ( -0.835 -0.809 -0.846) 1.438 3.992 ( 2.214 -0.047 -0.703) 2.323 4.419 ( -3.498 -0.041 -0.852) 3.600 4.466 ( 2.645 0.742 0.560) 2.803 4.651 ( 5.113 0.284 5.974) 7.869 4.797 ( -2.607 0.187 -2.392) 3.543 5.117 ( 4.906 -0.263 5.093) 7.076 5.302 ( -4.141 -0.126 -4.657) 6.233 5.783 ( 2.292 0.232 2.415) 3.337 5.867 ( -2.230 0.004 -2.093) 3.059 6.494 ( 0.774 -0.246 0.102) 0.819 6.507 ( -0.827 -0.227 -1.276) 1.537 6.763 ( 2.544 0.185 3.333) 4.197 6.858 ( -1.763 0.201 -1.776) 2.510 7.283 ( 0.035 0.390 -0.191) 0.436 7.286 ( -0.428 0.239 -0.416) 0.643 7.519 ( 0.789 0.184 0.505) 0.955 7.538 ( -0.554 0.179 -0.691) 0.903 7.865 ( -0.092 0.203 0.030) 0.225 7.869 ( 0.061 0.186 -0.010) 0.196 16.321 ( 0.386 -0.577 0.321) 0.765 16.350 ( 0.182 -0.296 -0.728) 0.807 17.113 ( -0.840 2.263 0.097) 2.416 17.141 ( 0.233 1.478 -0.190) 1.509 17.802 ( -0.058 0.093 0.763) 0.771 17.835 ( -0.601 -0.014 -0.486) 0.773 18.746 ( 1.386 0.765 1.610) 2.258 18.810 ( -2.397 0.774 -2.233) 3.367 19.089 ( 1.105 0.733 2.519) 2.847 19.157 ( -2.522 0.629 -1.443) 2.973 19.735 ( 3.424 0.065 2.150) 4.044 19.772 ( -2.474 -0.091 -1.692) 2.998 ======================= Grid point 107 (50/93) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( -3.433 -2.633 -0.353) 4.341 0.589 ( -0.641 -2.781 4.021) 4.931 0.653 ( 1.757 3.119 -2.499) 4.366 0.749 ( 0.723 0.170 -1.108) 1.334 0.846 ( -0.648 2.030 4.123) 4.641 0.974 ( -0.659 -0.033 0.126) 0.671 0.985 ( -0.595 1.628 3.166) 3.609 1.064 ( 1.630 -0.914 0.569) 1.954 1.108 ( -1.512 -2.061 -2.064) 3.285 1.140 ( -5.062 -0.253 -2.386) 5.602 1.191 ( -0.470 2.319 1.546) 2.826 1.254 ( 4.016 1.844 3.105) 5.401 1.351 ( 0.602 1.258 -0.811) 1.613 1.413 ( 1.927 0.999 -4.603) 5.089 1.479 ( -2.292 -1.691 -1.218) 3.098 1.507 ( 3.991 -1.364 2.141) 4.731 1.721 ( 1.404 -1.356 3.520) 4.025 1.763 ( -6.025 -0.048 -6.111) 8.582 1.819 ( -1.379 2.104 1.258) 2.813 1.941 ( 1.511 -0.225 -0.400) 1.579 2.112 ( 2.921 -0.475 4.068) 5.031 2.149 ( 2.290 -1.127 1.565) 2.994 2.219 ( 5.423 0.072 6.734) 8.646 2.326 ( -12.589 -0.235 -14.231) 19.001 2.644 ( 0.720 -0.032 0.827) 1.097 2.683 ( -0.674 -0.262 -1.207) 1.407 2.866 ( -0.031 0.011 1.288) 1.289 2.903 ( -1.485 -0.530 -1.452) 2.143 3.285 ( 0.618 0.173 1.436) 1.573 3.293 ( 0.058 0.475 0.738) 0.879 3.529 ( 1.554 -0.102 1.949) 2.495 3.613 ( -1.564 1.193 -3.151) 3.714 3.684 ( 0.475 0.267 0.775) 0.947 3.708 ( -0.321 0.909 -1.527) 1.806 3.948 ( -1.537 -1.172 -1.348) 2.357 4.012 ( 2.506 -0.038 -0.142) 2.510 4.391 ( -3.130 -0.533 -0.964) 3.318 4.469 ( 2.045 1.489 0.929) 2.695 4.710 ( 4.341 0.473 4.978) 6.622 4.753 ( -3.342 0.364 -3.488) 4.844 5.189 ( 5.092 -0.193 5.368) 7.402 5.247 ( -4.237 -0.326 -5.160) 6.685 5.812 ( 2.732 0.351 2.891) 3.993 5.835 ( -2.439 0.109 -2.635) 3.592 6.502 ( 0.085 -0.385 -0.408) 0.568 6.509 ( 0.630 -0.353 -0.044) 0.723 6.794 ( 2.322 0.275 3.024) 3.823 6.826 ( -2.354 0.318 -2.406) 3.381 7.271 ( -0.523 0.388 -0.293) 0.714 7.278 ( 0.064 0.437 -0.065) 0.446 7.520 ( -0.059 0.364 -0.024) 0.369 7.530 ( 0.295 0.120 -0.155) 0.354 7.861 ( -0.070 0.237 0.039) 0.250 7.865 ( 0.015 0.323 -0.027) 0.325 16.339 ( 0.407 -0.812 0.350) 0.973 16.354 ( -0.012 -0.421 -0.792) 0.897 17.058 ( -0.988 2.934 0.295) 3.110 17.105 ( 0.167 2.413 -0.324) 2.440 17.803 ( -0.303 0.071 0.721) 0.786 17.826 ( -0.712 0.072 -0.530) 0.890 18.743 ( 0.210 1.209 0.933) 1.542 18.769 ( -1.044 0.907 -1.169) 1.811 19.093 ( 0.827 1.010 2.696) 2.996 19.112 ( -2.967 0.872 -1.999) 3.683 19.740 ( -2.077 -0.436 -1.558) 2.633 19.778 ( 3.282 0.418 1.840) 3.786 ======================= Grid point 108 (51/93) ======================= q-point: (-0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( -2.815 0.934 0.910) 3.102 0.591 ( 0.574 0.912 -4.129) 4.268 0.677 ( -0.806 -1.678 1.215) 2.223 0.767 ( -0.860 -2.747 2.784) 4.004 0.823 ( 0.671 3.915 4.860) 6.276 0.961 ( -0.277 -0.040 -0.801) 0.848 0.985 ( 0.703 0.556 0.742) 1.163 1.041 ( -3.546 1.080 -2.623) 4.541 1.107 ( -1.932 -0.563 -0.402) 2.052 1.119 ( 0.151 -1.564 -3.208) 3.572 1.144 ( -2.679 0.478 0.636) 2.795 1.274 ( 3.493 1.317 2.037) 4.253 1.337 ( 0.757 1.044 -1.961) 2.347 1.405 ( 0.875 -0.449 -2.339) 2.538 1.488 ( -1.613 -1.634 -0.609) 2.375 1.562 ( 2.821 -0.377 0.797) 2.955 1.677 ( -6.706 -1.029 -6.020) 9.070 1.748 ( -1.509 1.691 2.108) 3.095 1.808 ( 2.572 0.136 4.410) 5.107 1.945 ( 1.459 0.618 -1.620) 2.266 2.124 ( -4.402 -0.303 -5.028) 6.689 2.142 ( -3.842 -1.920 -3.818) 5.747 2.198 ( -3.505 0.229 -2.994) 4.615 2.378 ( 14.274 0.340 14.646) 20.454 2.642 ( -0.796 -0.295 -0.757) 1.138 2.693 ( 0.743 -0.040 0.729) 1.042 2.860 ( -0.671 -0.165 -0.090) 0.697 2.916 ( 1.508 -0.220 1.799) 2.358 3.284 ( -0.563 0.452 -0.376) 0.814 3.286 ( -0.228 0.324 0.270) 0.479 3.543 ( -0.670 0.176 0.007) 0.693 3.572 ( -1.038 0.182 -1.917) 2.188 3.680 ( -0.475 0.541 -1.254) 1.446 3.701 ( 1.765 0.040 2.076) 2.725 3.951 ( -1.610 -1.377 -1.613) 2.663 4.029 ( 1.887 0.291 0.247) 1.925 4.380 ( -2.108 -1.152 -0.942) 2.580 4.457 ( 1.221 1.798 0.986) 2.387 4.692 ( -4.173 0.418 -4.481) 6.138 4.757 ( 3.352 0.372 3.680) 4.991 5.185 ( -4.193 -0.138 -4.790) 6.367 5.266 ( 4.922 -0.173 4.983) 7.007 5.796 ( -2.523 0.175 -2.783) 3.760 5.846 ( 2.881 0.281 3.010) 4.176 6.510 ( 0.135 -0.497 -0.141) 0.534 6.520 ( 0.781 -0.092 0.343) 0.858 6.784 ( -2.797 0.307 -2.873) 4.021 6.823 ( 2.072 0.197 2.413) 3.186 7.261 ( -0.487 0.118 -0.190) 0.536 7.272 ( 0.171 0.334 0.214) 0.432 7.510 ( -0.529 0.160 -0.577) 0.799 7.533 ( 0.660 0.145 0.417) 0.794 7.857 ( -0.030 0.129 0.045) 0.140 7.859 ( -0.016 0.275 -0.041) 0.279 16.356 ( -0.001 -0.470 -0.184) 0.504 16.358 ( 0.081 -0.525 -0.143) 0.550 17.006 ( -0.839 1.956 0.490) 2.184 17.065 ( 0.275 1.856 -0.434) 1.925 17.801 ( -0.410 0.079 0.309) 0.519 17.818 ( -0.401 0.043 -0.261) 0.481 18.718 ( -1.451 0.460 -0.951) 1.795 18.756 ( 1.271 1.006 1.152) 1.988 19.063 ( -2.901 0.658 -2.319) 3.772 19.098 ( 1.002 0.561 2.514) 2.764 19.732 ( -1.531 -1.145 -1.319) 2.322 19.796 ( 2.381 1.199 1.413) 3.017 ======================= Grid point 114 (52/93) ======================= q-point: (-0.38 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( -6.356 0.000 -2.804) 6.947 0.554 ( -3.935 0.000 0.700) 3.997 0.749 ( 7.381 -0.000 -2.195) 7.700 0.757 ( -1.374 0.000 -0.649) 1.520 0.947 ( 1.451 -0.000 0.634) 1.584 0.947 ( -1.680 0.000 -1.355) 2.159 0.985 ( -0.881 0.000 0.337) 0.943 1.042 ( -2.625 0.000 3.945) 4.739 1.050 ( 1.891 -0.000 -0.442) 1.942 1.171 ( -1.009 0.000 5.900) 5.986 1.178 ( -6.003 0.000 -1.177) 6.118 1.326 ( 5.875 -0.000 5.481) 8.035 1.360 ( -2.665 0.000 -2.717) 3.806 1.430 ( 2.287 -0.000 3.481) 4.165 1.450 ( 2.448 -0.000 -6.394) 6.846 1.501 ( -4.068 0.000 -3.781) 5.553 1.660 ( 1.961 -0.000 3.236) 3.784 1.765 ( -3.870 0.000 -7.145) 8.126 1.890 ( -2.409 0.000 -0.848) 2.554 1.910 ( 2.997 -0.000 3.140) 4.340 2.109 ( -1.057 0.000 0.952) 1.422 2.115 ( 4.795 -0.000 4.263) 6.416 2.222 ( 6.066 -0.000 7.649) 9.762 2.322 ( -12.923 0.000 -14.500) 19.423 2.649 ( 2.061 -0.000 1.883) 2.792 2.673 ( -2.584 0.000 -2.655) 3.705 2.872 ( 1.957 -0.000 3.138) 3.698 2.885 ( -3.714 0.000 -2.906) 4.716 3.289 ( 0.765 -0.000 2.001) 2.142 3.304 ( 0.017 -0.000 0.778) 0.778 3.529 ( 1.614 -0.000 1.532) 2.225 3.639 ( -1.438 0.000 -4.498) 4.722 3.694 ( 0.245 -0.000 0.956) 0.987 3.725 ( -0.246 0.000 -1.168) 1.193 3.927 ( -0.932 0.000 -1.318) 1.614 4.006 ( 2.484 -0.000 -0.903) 2.643 4.383 ( -3.907 0.000 -0.925) 4.015 4.498 ( 2.497 -0.000 0.723) 2.599 4.720 ( 4.495 -0.000 5.142) 6.830 4.761 ( -3.244 0.000 -3.320) 4.642 5.186 ( 5.815 -0.000 5.790) 8.206 5.239 ( -4.753 0.000 -5.584) 7.333 5.819 ( 2.890 -0.000 2.967) 4.142 5.837 ( -2.411 0.000 -2.420) 3.416 6.495 ( -0.285 0.000 -0.960) 1.001 6.502 ( 1.366 -0.000 0.343) 1.408 6.800 ( 2.263 -0.000 3.159) 3.886 6.832 ( -2.413 0.000 -2.405) 3.407 7.280 ( -0.800 0.000 -0.564) 0.979 7.288 ( 0.241 -0.000 -0.125) 0.271 7.531 ( -0.652 0.000 -0.874) 1.091 7.531 ( 0.993 -0.000 0.623) 1.172 7.866 ( -0.153 0.000 -0.009) 0.153 7.872 ( 0.095 -0.000 0.030) 0.099 16.321 ( 0.487 -0.000 0.385) 0.621 16.346 ( 0.335 -0.000 -1.138) 1.187 17.124 ( -1.312 0.000 -0.199) 1.327 17.157 ( 0.195 -0.000 0.118) 0.228 17.806 ( -0.256 0.000 0.885) 0.921 17.825 ( -1.020 0.000 -0.533) 1.151 18.774 ( 1.599 -0.000 2.116) 2.652 18.783 ( -2.936 0.000 -2.445) 3.821 19.118 ( 0.768 -0.000 3.374) 3.461 19.130 ( -3.344 0.000 -1.805) 3.800 19.735 ( -3.177 0.000 -2.454) 4.014 19.785 ( 4.836 -0.000 2.796) 5.586 ======================= Grid point 115 (53/93) ======================= q-point: (-0.25 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( -5.960 -4.790 -1.285) 7.753 0.536 ( -6.241 -2.169 4.118) 7.786 0.723 ( 0.304 2.752 -1.109) 2.982 0.784 ( 5.032 2.091 -1.665) 5.698 0.901 ( -0.205 2.783 1.736) 3.286 0.933 ( -1.713 -1.286 -2.647) 3.405 1.017 ( 0.755 -1.770 -0.383) 1.962 1.037 ( -3.256 -1.530 1.565) 3.923 1.078 ( -5.576 0.170 -3.540) 6.608 1.088 ( 0.683 1.553 0.678) 1.827 1.201 ( -2.042 -0.914 3.413) 4.081 1.313 ( -1.763 2.684 -2.979) 4.380 1.370 ( 0.937 -0.884 0.450) 1.365 1.424 ( 1.248 1.578 -3.541) 4.072 1.443 ( -1.248 0.222 -1.968) 2.341 1.510 ( 2.189 -3.622 3.144) 5.272 1.672 ( -2.969 1.397 -4.075) 5.232 1.738 ( 2.080 -1.792 1.723) 3.241 1.855 ( -1.118 1.884 1.784) 2.825 1.947 ( 1.344 -0.608 0.800) 1.678 2.077 ( -6.115 -1.128 -7.195) 9.510 2.109 ( -3.831 -0.509 -2.463) 4.582 2.193 ( -5.848 -0.186 -4.176) 7.188 2.391 ( 16.023 0.268 15.832) 22.527 2.642 ( -1.090 0.345 -1.185) 1.646 2.680 ( 1.324 -0.567 1.540) 2.109 2.849 ( -2.471 -0.331 -1.925) 3.150 2.906 ( 2.017 -0.181 3.548) 4.085 3.297 ( -0.070 0.226 0.912) 0.942 3.300 ( -0.520 0.324 -0.151) 0.631 3.544 ( 0.671 0.002 1.156) 1.337 3.597 ( -2.096 0.618 -4.638) 5.126 3.694 ( -0.010 0.507 0.649) 0.823 3.721 ( 1.004 0.319 -0.739) 1.287 3.914 ( -1.448 -0.401 -1.356) 2.023 4.027 ( 2.604 -0.324 -0.794) 2.741 4.351 ( -3.377 -0.394 -0.658) 3.463 4.509 ( 1.341 0.896 0.504) 1.690 4.712 ( -3.570 0.434 -4.176) 5.511 4.770 ( 3.277 0.251 3.763) 4.996 5.177 ( -4.231 -0.246 -5.344) 6.820 5.261 ( 5.593 -0.071 5.440) 7.802 5.805 ( -2.261 0.185 -2.447) 3.337 5.856 ( 3.009 0.227 3.022) 4.271 6.494 ( 0.271 -0.306 -0.461) 0.616 6.517 ( 1.592 -0.041 0.497) 1.668 6.795 ( -2.914 0.262 -2.889) 4.111 6.830 ( 1.834 0.108 2.596) 3.180 7.268 ( -0.853 0.184 -0.456) 0.985 7.286 ( 0.179 0.308 -0.018) 0.357 7.519 ( -0.624 0.219 -0.851) 1.077 7.541 ( 0.950 0.171 0.585) 1.129 7.863 ( -0.135 0.146 -0.004) 0.199 7.870 ( 0.062 0.245 0.018) 0.254 16.332 ( 0.461 -0.527 0.373) 0.793 16.343 ( 0.098 -0.208 -1.420) 1.438 17.094 ( -1.398 1.942 -0.027) 2.393 17.143 ( 0.070 1.649 0.023) 1.651 17.804 ( -0.656 0.207 0.653) 0.948 17.816 ( -0.979 -0.162 -0.405) 1.072 18.742 ( -2.700 0.617 -1.979) 3.404 18.793 ( 1.626 0.641 2.153) 2.773 19.086 ( -3.810 0.523 -2.092) 4.378 19.130 ( 0.339 1.051 3.719) 3.880 19.701 ( -2.791 -0.467 -2.348) 3.677 19.833 ( 4.782 0.644 2.470) 5.420 ======================= Grid point 116 (54/93) ======================= q-point: (-0.12 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( -6.215 -4.088 -2.159) 7.746 0.590 ( -3.993 -4.254 6.052) 8.406 0.665 ( 0.576 1.971 -0.689) 2.166 0.738 ( -2.047 2.224 -1.328) 3.302 0.908 ( 2.152 -0.505 2.595) 3.409 0.940 ( -2.358 -2.778 -2.832) 4.615 0.963 ( -4.244 3.015 -4.198) 6.687 1.038 ( -0.158 0.391 0.361) 0.555 1.053 ( -1.166 -1.719 -1.152) 2.376 1.105 ( 0.978 -0.624 1.066) 1.576 1.166 ( -1.806 3.642 -0.559) 4.104 1.258 ( -3.570 -0.864 -3.900) 5.358 1.349 ( -1.580 -0.645 -7.598) 7.787 1.397 ( -0.996 1.836 1.650) 2.662 1.456 ( 0.569 -1.581 0.662) 1.806 1.589 ( 0.642 -0.975 1.005) 1.541 1.616 ( 2.929 1.493 -1.429) 3.585 1.788 ( 0.730 1.098 3.907) 4.124 1.835 ( 0.473 0.084 3.163) 3.200 1.949 ( -1.076 0.085 -2.953) 3.144 2.024 ( -3.218 -1.964 -5.648) 6.791 2.070 ( -4.298 -0.703 -3.516) 5.597 2.180 ( -1.428 -1.457 1.923) 2.804 2.562 ( 9.599 1.047 9.013) 13.209 2.644 ( 3.486 -0.144 3.205) 4.738 2.702 ( 1.004 0.093 2.381) 2.585 2.848 ( 0.731 -1.050 0.252) 1.304 2.943 ( 2.284 -0.041 3.703) 4.351 3.281 ( -1.471 0.544 -1.609) 2.247 3.288 ( -0.928 0.426 -0.220) 1.044 3.535 ( -2.272 0.956 -2.839) 3.760 3.560 ( -0.323 -0.175 -0.341) 0.501 3.684 ( 0.010 0.590 -0.764) 0.965 3.727 ( 1.520 0.129 1.395) 2.067 3.909 ( -1.384 -1.020 -1.050) 2.015 4.046 ( 1.904 0.039 -0.657) 2.015 4.339 ( -2.321 -1.063 -0.233) 2.563 4.495 ( 0.234 1.408 0.112) 1.432 4.649 ( -3.710 0.855 -4.551) 5.934 4.802 ( 2.171 0.335 2.519) 3.342 5.130 ( -3.054 -0.222 -4.186) 5.186 5.327 ( 4.609 0.017 4.455) 6.411 5.771 ( -1.899 0.398 -2.141) 2.890 5.887 ( 2.537 0.331 2.530) 3.598 6.504 ( 0.502 -0.466 -0.092) 0.691 6.533 ( 1.529 0.121 0.748) 1.706 6.751 ( -3.111 0.306 -3.075) 4.385 6.851 ( 1.427 0.158 1.876) 2.362 7.257 ( -0.712 0.126 -0.231) 0.759 7.281 ( 0.131 0.401 0.244) 0.488 7.507 ( -0.455 0.238 -0.667) 0.842 7.546 ( 0.706 0.309 0.469) 0.902 7.859 ( -0.081 0.173 0.008) 0.191 7.865 ( 0.022 0.378 -0.004) 0.379 16.343 ( -0.269 -0.515 -1.028) 1.181 16.348 ( 0.333 -0.720 0.278) 0.841 17.041 ( -1.191 2.538 0.275) 2.817 17.105 ( 0.104 2.443 -0.187) 2.453 17.798 ( -0.787 -0.027 0.198) 0.812 17.809 ( -0.909 -0.181 -0.193) 0.947 18.705 ( -1.955 0.389 -1.286) 2.372 18.799 ( 1.734 1.303 1.916) 2.894 19.035 ( -3.678 0.506 -2.207) 4.319 19.125 ( -0.365 0.988 2.867) 3.054 19.689 ( -1.780 -1.338 -1.531) 2.702 19.856 ( 3.574 1.862 1.513) 4.305 ======================= Grid point 123 (55/93) ======================= q-point: (-0.25 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.301 ( -8.605 0.000 0.057) 8.605 0.468 ( -10.406 0.000 6.749) 12.403 0.753 ( 1.592 -0.000 -0.495) 1.667 0.782 ( -9.839 0.000 -6.255) 11.659 0.910 ( 3.597 -0.000 -2.838) 4.582 0.959 ( 0.150 -0.000 -0.634) 0.651 0.980 ( 1.070 -0.000 0.398) 1.142 1.007 ( -2.479 0.000 1.745) 3.032 1.020 ( -4.040 0.000 -4.026) 5.704 1.100 ( 1.157 -0.000 -2.139) 2.432 1.198 ( -1.507 0.000 3.437) 3.753 1.298 ( -7.035 0.000 -7.651) 10.394 1.313 ( -2.014 0.000 0.015) 2.014 1.423 ( 1.828 -0.000 -5.597) 5.888 1.477 ( 0.216 -0.000 2.150) 2.161 1.495 ( 3.389 -0.000 7.753) 8.461 1.675 ( 0.143 -0.000 -4.937) 4.939 1.747 ( 3.228 -0.000 4.659) 5.667 1.880 ( -0.024 0.000 2.027) 2.028 1.955 ( 0.501 -0.000 2.025) 2.086 1.957 ( -6.768 0.000 -10.388) 12.399 2.057 ( -4.603 0.000 -2.686) 5.330 2.160 ( -3.188 0.000 2.575) 4.098 2.596 ( 13.734 -0.000 12.958) 18.882 2.632 ( -0.542 0.000 -1.028) 1.162 2.703 ( 2.950 -0.000 4.801) 5.635 2.818 ( -1.220 0.000 -1.243) 1.741 2.944 ( 2.455 -0.000 4.525) 5.148 3.292 ( -1.437 0.000 -1.495) 2.073 3.298 ( -0.863 0.000 -0.111) 0.871 3.553 ( 0.011 -0.000 1.387) 1.387 3.560 ( -2.529 0.000 -4.814) 5.438 3.704 ( -0.439 0.000 1.035) 1.124 3.722 ( 1.076 -0.000 -2.549) 2.767 3.896 ( -1.189 0.000 -0.932) 1.510 4.040 ( 2.654 -0.000 -0.951) 2.819 4.320 ( -2.861 0.000 -0.121) 2.864 4.523 ( -0.091 0.000 -0.224) 0.242 4.668 ( -3.131 0.000 -4.431) 5.425 4.808 ( 1.922 -0.000 2.393) 3.069 5.121 ( -2.884 0.000 -4.331) 5.203 5.328 ( 4.843 -0.000 4.596) 6.677 5.780 ( -1.702 0.000 -1.914) 2.561 5.895 ( 2.611 -0.000 2.401) 3.547 6.494 ( 0.643 -0.000 -0.199) 0.673 6.536 ( 2.017 -0.000 0.769) 2.158 6.758 ( -3.134 0.000 -3.246) 4.512 6.854 ( 1.190 -0.000 1.955) 2.289 7.260 ( -0.920 0.000 -0.337) 0.980 7.290 ( 0.115 -0.000 0.078) 0.139 7.512 ( -0.525 0.000 -0.763) 0.926 7.553 ( 0.869 -0.000 0.494) 0.999 7.863 ( -0.130 0.000 0.001) 0.130 7.873 ( 0.053 -0.000 0.009) 0.054 16.332 ( 0.423 -0.000 0.368) 0.560 16.334 ( 0.008 -0.000 -2.137) 2.137 17.099 ( -1.468 0.000 -0.029) 1.469 17.159 ( -0.071 0.000 0.085) 0.111 17.801 ( -1.124 0.000 -0.495) 1.228 17.806 ( -0.609 0.000 0.581) 0.842 18.716 ( -2.549 0.000 -1.670) 3.047 18.824 ( 1.750 -0.000 2.415) 2.983 19.048 ( -4.293 0.000 -2.154) 4.803 19.169 ( 0.894 -0.000 5.240) 5.316 19.663 ( -2.470 0.000 -2.147) 3.272 19.891 ( 4.733 -0.000 1.958) 5.122 ======================= Grid point 124 (56/93) ======================= q-point: (-0.12 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.298 ( -7.457 -5.412 -0.100) 9.215 0.468 ( -10.261 -5.648 10.168) 15.511 0.638 ( -15.521 -2.772 -7.411) 17.421 0.755 ( -0.116 1.815 -2.828) 3.362 0.834 ( -1.502 3.277 1.105) 3.770 0.952 ( -1.032 1.714 -3.346) 3.898 0.984 ( 2.509 1.724 -0.592) 3.102 1.010 ( -0.919 -1.218 -0.239) 1.544 1.027 ( 2.292 -3.408 -0.593) 4.149 1.123 ( 2.055 -0.423 -0.573) 2.175 1.179 ( -3.875 -0.855 -6.542) 7.652 1.213 ( -1.379 2.419 2.231) 3.568 1.299 ( -2.413 0.247 -3.219) 4.030 1.421 ( -0.190 2.626 -1.307) 2.940 1.442 ( 0.350 -1.010 0.095) 1.074 1.615 ( 5.076 -1.495 7.137) 8.885 1.662 ( 3.617 0.133 -2.537) 4.420 1.810 ( 1.953 -1.656 2.933) 3.893 1.868 ( -1.219 0.535 0.337) 1.373 1.887 ( -2.214 -0.217 -3.821) 4.422 1.985 ( 0.734 -1.389 1.156) 1.950 2.008 ( -4.557 -0.316 -3.231) 5.596 2.150 ( -2.978 -0.275 3.522) 4.620 2.618 ( 0.528 0.885 -0.132) 1.039 2.682 ( 0.943 -0.219 1.593) 1.864 2.768 ( 2.989 -0.043 2.947) 4.197 2.875 ( 9.593 -0.898 9.320) 13.406 2.983 ( 2.237 0.262 4.013) 4.602 3.258 ( -3.227 0.341 -3.764) 4.970 3.282 ( -1.455 0.287 -1.013) 1.796 3.515 ( -1.985 0.609 -3.327) 3.922 3.561 ( -0.144 0.126 2.317) 2.325 3.690 ( -0.404 0.589 -0.948) 1.187 3.731 ( 0.540 -1.106 -0.638) 1.386 3.886 ( -0.854 -0.257 0.036) 0.892 4.059 ( 2.209 -0.010 -0.784) 2.344 4.306 ( -1.960 -0.630 0.592) 2.142 4.509 ( -0.818 0.673 -0.813) 1.336 4.620 ( -2.326 0.715 -3.614) 4.357 4.827 ( 0.887 0.102 1.242) 1.530 5.092 ( -1.119 -0.226 -2.622) 2.860 5.379 ( 3.308 0.103 2.996) 4.464 5.758 ( -1.071 0.349 -1.251) 1.683 5.919 ( 1.665 0.217 1.391) 2.180 6.502 ( 0.724 -0.283 0.027) 0.778 6.555 ( 2.013 0.207 1.035) 2.273 6.716 ( -2.965 0.186 -2.892) 4.146 6.868 ( 0.696 0.004 1.109) 1.309 7.252 ( -0.736 0.056 -0.056) 0.740 7.290 ( 0.139 0.292 0.630) 0.708 7.505 ( -0.277 0.153 -0.410) 0.518 7.558 ( 0.592 0.259 0.285) 0.707 7.862 ( -0.083 0.119 0.022) 0.147 7.871 ( 0.023 0.265 -0.021) 0.267 16.326 ( -0.391 -0.400 -1.392) 1.501 16.341 ( 0.296 -0.472 0.328) 0.647 17.072 ( -1.213 1.719 0.244) 2.118 17.143 ( -0.088 1.651 -0.121) 1.658 17.791 ( -0.893 0.007 -0.215) 0.919 17.798 ( -1.261 0.135 -0.122) 1.274 18.690 ( -1.750 0.209 -0.859) 1.961 18.842 ( 1.870 0.795 2.008) 2.857 19.000 ( -4.060 0.231 -2.030) 4.545 19.166 ( -1.039 2.925 3.908) 4.991 19.647 ( -1.414 -0.980 -1.047) 2.013 19.923 ( 3.686 1.276 0.791) 3.980 ======================= Grid point 132 (57/93) ======================= q-point: (-0.12 -0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.190 ( -7.600 0.000 6.250) 9.840 0.331 ( -21.140 0.000 -2.892) 21.337 0.405 ( -16.497 0.000 10.633) 19.627 0.784 ( 1.698 -0.000 0.110) 1.702 0.912 ( -0.374 0.000 -2.743) 2.769 0.938 ( -0.520 0.000 -1.329) 1.427 0.955 ( 0.227 -0.000 -1.088) 1.111 0.993 ( -0.662 0.000 0.209) 0.694 1.048 ( 4.657 -0.000 -1.324) 4.842 1.119 ( 2.473 -0.000 -1.041) 2.683 1.122 ( -2.646 0.000 -2.621) 3.725 1.234 ( -1.395 0.000 1.367) 1.954 1.281 ( -1.133 0.000 -2.155) 2.434 1.420 ( 2.022 -0.000 -1.577) 2.564 1.484 ( -0.672 0.000 0.120) 0.682 1.614 ( 0.619 -0.000 -1.759) 1.865 1.696 ( 5.956 -0.000 6.287) 8.660 1.807 ( -1.318 0.000 -3.367) 3.616 1.817 ( 0.557 -0.000 2.111) 2.184 1.910 ( -0.898 0.000 0.386) 0.978 1.952 ( -3.668 0.000 -3.786) 5.271 1.985 ( 0.168 -0.000 3.307) 3.311 2.174 ( 0.540 -0.000 4.688) 4.719 2.629 ( 0.439 -0.000 0.107) 0.452 2.687 ( -0.689 0.000 0.568) 0.893 2.767 ( 0.446 -0.000 -0.825) 0.938 3.001 ( 7.351 -0.000 7.364) 10.405 3.021 ( 1.694 -0.000 2.257) 2.822 3.207 ( -3.665 0.000 -4.151) 5.538 3.268 ( -1.040 0.000 -1.064) 1.488 3.501 ( -0.085 0.000 -0.735) 0.740 3.604 ( 3.671 -0.000 7.552) 8.397 3.688 ( -0.614 0.000 -1.361) 1.493 3.694 ( -1.286 0.000 0.111) 1.291 3.884 ( -0.244 0.000 1.440) 1.460 4.075 ( 2.177 -0.000 -0.200) 2.186 4.291 ( -1.334 0.000 1.356) 1.902 4.502 ( -0.873 0.000 -1.395) 1.646 4.601 ( -0.459 0.000 -1.655) 1.717 4.834 ( 0.005 -0.000 0.200) 0.201 5.080 ( 0.511 -0.000 -0.794) 0.944 5.409 ( 1.283 -0.000 0.881) 1.556 5.752 ( -0.279 0.000 -0.369) 0.463 5.935 ( 0.825 -0.000 0.478) 0.953 6.506 ( 0.670 -0.000 0.165) 0.690 6.578 ( 1.619 -0.000 0.764) 1.790 6.685 ( -1.735 0.000 -1.414) 2.238 6.873 ( -0.078 0.000 0.300) 0.310 7.248 ( -0.491 0.000 0.315) 0.583 7.306 ( 1.549 -0.000 2.366) 2.828 7.504 ( 0.000 -0.000 0.078) 0.078 7.565 ( 0.327 -0.000 0.018) 0.327 7.862 ( -0.059 0.000 0.054) 0.080 7.874 ( 0.007 -0.000 -0.059) 0.060 16.316 ( 0.559 -0.000 0.737) 0.925 16.341 ( 0.174 -0.000 0.364) 0.404 17.081 ( -0.918 0.000 0.385) 0.996 17.156 ( -0.207 0.000 -0.256) 0.329 17.782 ( -0.593 0.000 -0.366) 0.697 17.788 ( -1.702 0.000 -1.220) 2.094 18.678 ( -0.974 0.000 -0.024) 0.974 18.872 ( 1.534 -0.000 1.287) 2.002 18.960 ( -3.556 0.000 -1.415) 3.827 19.230 ( 0.132 -0.000 -0.490) 0.508 19.629 ( -0.276 0.000 0.558) 0.623 19.958 ( 2.238 -0.000 -0.512) 2.296 ======================= Grid point 133 (58/93) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( 1.087 -0.000 11.470) 11.521 0.463 ( 7.028 -0.000 9.669) 11.953 0.665 ( 1.199 -0.000 -6.146) 6.262 0.676 ( -5.545 0.000 -6.544) 8.577 0.890 ( -0.931 0.000 8.284) 8.336 0.941 ( 2.141 -0.000 -0.262) 2.157 0.966 ( -0.045 0.000 -0.471) 0.473 1.017 ( 1.520 -0.000 -2.227) 2.696 1.101 ( -0.188 0.000 1.525) 1.536 1.153 ( -0.412 0.000 -3.643) 3.666 1.228 ( 0.771 -0.000 3.542) 3.625 1.234 ( 4.895 -0.000 2.788) 5.633 1.257 ( -2.353 0.000 4.706) 5.261 1.379 ( 1.121 -0.000 -6.200) 6.300 1.434 ( 1.758 -0.000 0.031) 1.759 1.473 ( -3.537 0.000 -3.049) 4.670 1.791 ( -3.254 0.000 0.098) 3.255 1.797 ( 1.399 -0.000 -0.691) 1.561 1.844 ( -3.291 0.000 0.067) 3.292 1.849 ( 1.700 -0.000 -0.483) 1.767 2.100 ( 1.896 -0.000 3.019) 3.565 2.103 ( 13.617 -0.000 14.908) 20.191 2.140 ( -1.865 0.000 -0.591) 1.956 2.439 ( -14.855 0.000 -18.155) 23.458 2.646 ( 0.002 -0.000 0.215) 0.215 2.656 ( -0.805 0.000 -0.980) 1.268 2.855 ( 1.129 -0.000 1.892) 2.203 2.905 ( -3.138 0.000 -3.205) 4.486 3.279 ( 0.361 -0.000 0.441) 0.569 3.285 ( 0.555 -0.000 0.025) 0.556 3.627 ( -0.913 0.000 1.221) 1.524 3.634 ( 2.927 -0.000 1.937) 3.510 3.681 ( 0.242 -0.000 1.954) 1.969 3.750 ( -0.956 0.000 -3.771) 3.890 4.030 ( 0.824 -0.000 3.794) 3.883 4.085 ( -0.099 0.000 -1.721) 1.724 4.355 ( -0.335 0.000 3.557) 3.573 4.425 ( 0.606 -0.000 -3.448) 3.501 4.713 ( 3.835 -0.000 3.842) 5.429 4.778 ( -2.429 0.000 -2.726) 3.651 5.188 ( 4.511 -0.000 5.218) 6.898 5.298 ( -4.504 0.000 -5.563) 7.158 5.804 ( 2.178 -0.000 2.617) 3.405 5.864 ( -2.589 0.000 -3.426) 4.294 6.527 ( 0.346 -0.000 0.866) 0.932 6.548 ( -0.818 0.000 -1.258) 1.501 6.769 ( 3.026 -0.000 2.764) 4.098 6.820 ( -2.289 0.000 -2.379) 3.302 7.281 ( 0.436 -0.000 1.766) 1.819 7.317 ( -0.410 0.000 -1.758) 1.805 7.529 ( 0.553 -0.000 1.042) 1.179 7.548 ( -0.539 0.000 -0.937) 1.081 7.866 ( 0.010 -0.000 0.189) 0.189 7.869 ( -0.011 0.000 -0.194) 0.195 16.356 ( -0.508 0.000 0.764) 0.918 16.373 ( 1.094 -0.000 -0.934) 1.439 17.103 ( 0.289 -0.000 1.351) 1.382 17.129 ( -0.254 0.000 -1.240) 1.266 17.763 ( -0.339 0.000 0.338) 0.479 17.770 ( 0.416 -0.000 -0.376) 0.561 18.732 ( 1.939 -0.000 2.795) 3.402 18.790 ( -2.544 0.000 -3.070) 3.987 19.007 ( 2.725 -0.000 2.261) 3.541 19.050 ( -3.451 0.000 -2.151) 4.066 19.753 ( 2.029 -0.000 5.555) 5.914 19.862 ( -2.085 0.000 -5.339) 5.731 ======================= Grid point 134 (59/93) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 3.474 1.582 9.257) 10.013 0.532 ( 1.781 0.294 -4.245) 4.613 0.582 ( -3.292 0.610 -0.203) 3.354 0.660 ( 3.107 -0.026 -3.856) 4.952 0.913 ( -2.774 0.538 0.307) 2.842 0.940 ( 0.284 0.933 0.447) 1.073 0.987 ( 1.548 -1.710 3.061) 3.833 1.030 ( 1.897 -1.439 -3.427) 4.173 1.094 ( -0.838 0.827 2.507) 2.770 1.119 ( -1.908 0.475 -3.106) 3.676 1.227 ( -2.533 -0.607 2.136) 3.368 1.279 ( 1.961 -0.059 -1.790) 2.656 1.295 ( -0.537 -1.698 2.402) 2.990 1.370 ( 2.445 -1.219 -3.898) 4.760 1.439 ( -4.251 -1.335 -1.904) 4.846 1.499 ( 4.813 -3.121 1.542) 5.940 1.766 ( -1.588 0.608 0.845) 1.899 1.792 ( -2.830 1.320 0.796) 3.222 1.809 ( 2.503 2.366 1.774) 3.874 1.870 ( 3.750 0.250 -1.008) 3.891 2.121 ( -2.040 -0.447 -1.068) 2.345 2.136 ( 1.710 -0.779 2.087) 2.809 2.231 ( -14.549 -0.169 -17.124) 22.471 2.300 ( 14.367 -0.072 16.552) 21.917 2.653 ( -0.054 -0.365 -0.015) 0.370 2.654 ( 0.361 -0.480 0.249) 0.650 2.870 ( -1.618 0.089 -1.060) 1.936 2.883 ( 1.845 -0.239 2.004) 2.735 3.279 ( -0.431 0.080 -0.086) 0.446 3.284 ( -0.121 0.100 -0.414) 0.443 3.611 ( -1.584 1.100 0.540) 2.003 3.637 ( 0.827 1.274 -0.758) 1.698 3.706 ( 0.236 -0.109 2.357) 2.371 3.726 ( -0.337 -0.343 -2.384) 2.432 4.033 ( -0.368 1.374 3.379) 3.666 4.060 ( -0.918 1.001 -2.742) 3.060 4.375 ( 0.327 -0.367 3.302) 3.339 4.415 ( 0.895 0.069 -3.437) 3.552 4.734 ( -3.697 0.393 -3.763) 5.290 4.753 ( 2.812 0.380 3.157) 4.245 5.228 ( -5.139 0.252 -5.532) 7.555 5.251 ( 4.478 0.056 5.391) 7.008 5.824 ( -2.562 0.260 -3.083) 4.017 5.834 ( 2.414 0.178 3.017) 3.868 6.533 ( 0.178 0.116 0.962) 0.985 6.535 ( -0.715 0.110 -0.760) 1.050 6.787 ( -2.593 0.010 -2.864) 3.864 6.804 ( 2.711 0.077 2.471) 3.669 7.289 ( 0.374 0.493 1.537) 1.657 7.297 ( -0.564 0.716 -1.408) 1.677 7.535 ( -0.182 0.332 0.071) 0.385 7.538 ( 0.102 0.168 -0.050) 0.202 7.865 ( 0.005 0.183 0.160) 0.243 7.867 ( 0.014 0.191 -0.162) 0.251 16.354 ( -0.870 -0.122 0.402) 0.967 16.371 ( 0.329 0.216 -0.717) 0.818 17.096 ( 0.321 1.816 1.260) 2.234 17.108 ( 0.245 1.530 -1.213) 1.968 17.768 ( 0.018 -0.406 0.193) 0.450 17.778 ( 0.928 -0.421 -0.274) 1.056 18.751 ( -1.497 0.624 -1.798) 2.422 18.760 ( 1.983 0.448 2.093) 2.918 19.023 ( -1.774 -0.382 -1.946) 2.661 19.046 ( 3.572 -0.231 2.427) 4.325 19.791 ( 1.470 0.421 5.145) 5.367 19.811 ( -2.612 0.590 -5.061) 5.726 ======================= Grid point 135 (60/93) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 0.986 0.705 -1.595) 2.004 0.532 ( -0.684 -0.506 -3.315) 3.423 0.592 ( 3.111 -0.916 0.392) 3.267 0.696 ( 3.706 -0.706 2.819) 4.710 0.855 ( -4.164 2.097 -0.521) 4.691 0.930 ( -0.633 0.404 2.670) 2.774 1.013 ( -0.075 -0.172 -3.590) 3.594 1.063 ( 0.915 -1.377 -0.391) 1.699 1.077 ( -2.395 0.912 1.202) 2.831 1.113 ( 0.581 -2.505 -1.684) 3.074 1.216 ( -3.120 0.084 -3.551) 4.728 1.271 ( -0.398 -0.505 -0.415) 0.765 1.306 ( 0.480 -0.440 -0.954) 1.155 1.394 ( 1.136 2.117 0.405) 2.436 1.437 ( -2.249 -3.910 -3.287) 5.582 1.601 ( 1.214 -2.991 0.009) 3.228 1.727 ( -3.643 2.693 2.021) 4.961 1.760 ( 2.100 0.887 2.386) 3.300 1.815 ( 3.697 1.571 3.270) 5.180 1.881 ( 2.760 0.897 -2.411) 3.773 2.063 ( -9.783 -1.271 -11.928) 15.479 2.103 ( -2.805 -0.305 -2.114) 3.525 2.182 ( 2.054 -1.349 1.538) 2.899 2.490 ( 13.299 0.269 15.874) 20.710 2.650 ( -1.093 -0.048 -1.069) 1.529 2.679 ( 1.528 -0.602 1.629) 2.313 2.860 ( -0.280 -0.341 0.115) 0.456 2.921 ( 3.071 -0.157 3.228) 4.458 3.265 ( -1.280 0.134 -1.227) 1.778 3.280 ( -0.646 0.013 -0.433) 0.778 3.565 ( -3.249 1.296 -1.887) 3.974 3.613 ( 0.500 1.419 -0.636) 1.633 3.693 ( -0.878 0.642 -0.574) 1.230 3.743 ( 1.562 -0.022 1.720) 2.323 4.001 ( -1.745 1.409 -2.316) 3.224 4.036 ( 0.034 0.685 1.221) 1.401 4.396 ( 0.478 -0.112 -0.480) 0.687 4.410 ( 0.926 -0.247 0.236) 0.986 4.669 ( -4.839 0.640 -4.702) 6.778 4.781 ( 2.301 0.280 2.777) 3.617 5.157 ( -4.757 0.103 -4.755) 6.726 5.310 ( 4.030 0.132 4.969) 6.399 5.785 ( -2.256 0.410 -2.587) 3.457 5.865 ( 2.308 0.170 2.909) 3.717 6.524 ( -0.603 0.044 -0.457) 0.758 6.537 ( 0.344 0.276 1.168) 1.248 6.751 ( -2.720 -0.036 -3.162) 4.172 6.834 ( 2.186 0.063 2.062) 3.005 7.275 ( -0.295 0.637 -0.877) 1.123 7.286 ( 0.274 0.663 0.908) 1.158 7.519 ( -0.722 0.455 -0.786) 1.160 7.541 ( 0.524 0.275 0.693) 0.911 7.861 ( -0.046 0.275 0.012) 0.279 7.863 ( 0.072 0.253 -0.011) 0.263 16.351 ( -0.840 -0.318 -0.138) 0.908 16.368 ( 0.080 -0.061 -0.311) 0.327 17.059 ( -0.043 2.525 0.330) 2.547 17.075 ( 0.858 2.203 -0.288) 2.382 17.777 ( 0.077 -0.544 0.064) 0.553 17.796 ( 1.161 -0.625 -0.112) 1.324 18.718 ( -1.202 0.550 -1.861) 2.282 18.777 ( 2.254 1.120 2.521) 3.563 19.011 ( -0.969 -0.511 -2.121) 2.387 19.091 ( 3.405 -0.208 2.283) 4.105 19.758 ( -2.356 0.223 -3.775) 4.456 19.811 ( 0.794 1.054 3.775) 3.999 ======================= Grid point 136 (61/93) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 1.148 0.239 0.260) 1.201 0.506 ( -3.226 -1.000 -3.901) 5.160 0.656 ( 4.164 -3.359 -1.791) 5.642 0.728 ( -1.521 1.914 1.888) 3.089 0.822 ( 0.875 -1.970 2.364) 3.199 0.934 ( -1.345 0.594 3.787) 4.063 0.985 ( -0.645 0.105 -5.053) 5.095 1.038 ( -2.809 0.564 -0.479) 2.905 1.081 ( -1.704 -1.218 -0.695) 2.207 1.137 ( -0.398 1.532 -0.533) 1.671 1.198 ( 1.136 -1.384 -3.877) 4.271 1.256 ( -0.663 0.603 -1.485) 1.734 1.332 ( -0.267 -1.947 -3.653) 4.148 1.356 ( 0.172 0.876 4.709) 4.793 1.468 ( 1.883 -0.477 -2.785) 3.395 1.589 ( -4.009 1.461 -3.627) 5.601 1.666 ( -3.656 1.316 1.303) 4.099 1.769 ( 1.960 1.904 3.197) 4.206 1.848 ( 1.093 -0.411 -0.648) 1.336 1.879 ( 1.685 -1.144 0.804) 2.189 2.003 ( -1.478 -0.706 -5.040) 5.300 2.075 ( -2.890 -0.358 -1.788) 3.417 2.232 ( 2.433 -1.237 1.709) 3.220 2.619 ( -0.455 1.182 0.198) 1.282 2.648 ( 6.871 -0.486 7.681) 10.317 2.711 ( 2.322 -0.309 2.968) 3.781 2.881 ( 2.650 -0.175 3.102) 4.084 2.966 ( 3.243 -0.136 3.472) 4.753 3.243 ( -2.351 -0.064 -2.385) 3.350 3.268 ( -1.191 -0.073 -1.140) 1.650 3.505 ( -3.301 0.893 -2.704) 4.360 3.591 ( 0.256 1.064 -0.508) 1.207 3.674 ( -0.303 0.684 0.099) 0.755 3.763 ( 1.827 0.193 1.904) 2.645 3.955 ( -1.242 0.912 -2.506) 2.941 4.034 ( -0.152 0.143 0.643) 0.676 4.387 ( 0.027 0.308 -1.814) 1.840 4.434 ( 0.887 -0.542 1.590) 1.899 4.597 ( -4.536 0.421 -4.315) 6.275 4.807 ( 1.754 0.025 2.093) 2.731 5.105 ( -3.280 -0.074 -3.194) 4.579 5.357 ( 2.935 0.105 3.594) 4.642 5.751 ( -1.671 0.352 -1.868) 2.531 5.892 ( 1.808 0.001 2.211) 2.856 6.518 ( -0.305 0.028 -0.214) 0.374 6.541 ( 0.589 0.279 1.200) 1.365 6.717 ( -2.453 -0.117 -2.876) 3.782 6.856 ( 1.436 0.024 1.398) 2.004 7.262 ( -0.078 0.347 -0.444) 0.569 7.281 ( 0.191 0.430 0.466) 0.662 7.503 ( -0.552 0.336 -0.591) 0.876 7.543 ( 0.359 0.205 0.443) 0.607 7.856 ( -0.044 0.164 0.017) 0.170 7.859 ( 0.062 0.207 -0.015) 0.217 16.351 ( -0.494 -0.340 -0.285) 0.664 16.370 ( 0.032 -0.108 -0.097) 0.149 17.019 ( -0.200 1.813 0.335) 1.855 17.045 ( 0.793 1.547 -0.279) 1.760 17.787 ( -0.005 -0.450 -0.003) 0.450 17.814 ( 0.842 -0.388 -0.013) 0.927 18.698 ( -0.624 0.140 -0.996) 1.184 18.781 ( 1.543 1.165 1.679) 2.560 19.002 ( -0.803 -0.344 -1.851) 2.047 19.126 ( 2.178 -0.044 1.591) 2.697 19.733 ( -1.221 -0.556 -1.956) 2.371 19.806 ( 0.191 1.262 2.004) 2.376 ======================= Grid point 137 (62/93) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -5.324 -1.238 -0.656) 5.505 0.487 ( 2.360 0.303 -2.682) 3.586 0.681 ( -1.544 1.390 1.307) 2.455 0.736 ( 0.697 -3.531 -3.148) 4.782 0.875 ( -3.985 0.052 2.795) 4.868 0.935 ( 3.162 -0.872 2.948) 4.410 0.981 ( 2.626 0.037 -1.138) 2.862 1.014 ( -0.783 -0.069 -0.300) 0.841 1.043 ( -3.302 1.168 -3.034) 4.634 1.114 ( 0.469 -0.101 -1.145) 1.241 1.171 ( -1.495 1.526 -3.030) 3.708 1.246 ( -0.677 0.121 1.301) 1.472 1.350 ( 0.072 1.864 4.245) 4.637 1.407 ( 1.636 -1.872 -0.253) 2.499 1.459 ( 0.538 0.387 -4.049) 4.102 1.494 ( -2.391 0.645 -1.991) 3.177 1.639 ( -0.948 0.694 1.044) 1.572 1.773 ( 0.058 -0.538 2.026) 2.097 1.854 ( -0.279 -1.075 -1.754) 2.076 1.918 ( 1.064 -0.156 1.338) 1.717 1.983 ( 0.021 0.552 -2.653) 2.710 2.057 ( -1.159 -0.068 -0.610) 1.311 2.268 ( 1.132 0.199 1.351) 1.773 2.586 ( -0.951 0.418 -0.979) 1.428 2.699 ( 0.880 0.004 1.152) 1.450 2.763 ( 2.329 -0.559 2.674) 3.590 2.940 ( 5.296 0.045 5.700) 7.781 3.004 ( 2.087 0.026 2.508) 3.263 3.204 ( -3.414 -0.185 -3.817) 5.124 3.257 ( -0.959 -0.228 -0.868) 1.314 3.465 ( -1.529 0.084 -1.449) 2.109 3.577 ( 0.016 0.403 -0.025) 0.404 3.667 ( 0.044 0.113 0.204) 0.237 3.781 ( 1.140 0.266 1.544) 1.938 3.926 ( -0.534 0.602 -0.947) 1.242 4.033 ( 0.047 -0.105 -0.230) 0.257 4.372 ( -0.445 0.572 -0.442) 0.849 4.454 ( 0.360 -0.552 0.281) 0.717 4.550 ( -2.301 -0.206 -2.348) 3.294 4.826 ( 0.839 -0.090 0.961) 1.279 5.077 ( -1.349 -0.063 -1.499) 2.018 5.387 ( 1.536 -0.026 1.691) 2.284 5.730 ( -0.777 0.008 -0.885) 1.178 5.913 ( 0.926 -0.123 0.998) 1.366 6.516 ( 0.029 0.082 -0.061) 0.106 6.549 ( 0.690 0.043 0.886) 1.124 6.691 ( -1.555 -0.115 -1.764) 2.354 6.870 ( 0.592 -0.032 0.599) 0.843 7.256 ( -0.119 0.128 -0.078) 0.192 7.279 ( 0.081 0.031 0.256) 0.270 7.494 ( -0.181 0.057 -0.276) 0.335 7.545 ( 0.173 -0.018 0.184) 0.254 7.855 ( -0.011 -0.043 -0.004) 0.045 7.857 ( 0.010 0.040 0.003) 0.042 16.350 ( -0.148 0.041 -0.141) 0.208 16.370 ( 0.045 0.111 0.041) 0.126 17.000 ( -0.502 0.170 0.585) 0.789 17.036 ( 0.512 -0.153 -0.527) 0.750 17.792 ( -0.154 -0.152 -0.086) 0.233 17.821 ( 0.114 0.109 0.060) 0.169 18.690 ( -0.376 0.068 -0.314) 0.495 18.785 ( 0.765 -0.050 0.721) 1.053 18.992 ( -0.910 -0.010 -0.980) 1.337 19.143 ( 0.493 0.020 0.812) 0.950 19.727 ( -0.383 0.461 -0.386) 0.713 19.803 ( 0.393 -0.555 0.370) 0.774 ======================= Grid point 138 (63/93) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( -3.310 1.397 2.118) 4.171 0.508 ( 1.383 -1.378 -2.862) 3.464 0.641 ( -4.490 2.065 -0.621) 4.981 0.769 ( 0.130 -2.334 -2.575) 3.478 0.827 ( -2.599 0.684 4.091) 4.895 0.951 ( -3.547 0.819 -3.403) 4.983 0.989 ( 3.778 0.918 2.307) 4.521 1.014 ( 2.912 0.086 -2.573) 3.887 1.079 ( 5.058 -1.584 2.148) 5.718 1.117 ( -1.413 -1.263 -0.300) 1.919 1.126 ( -1.045 2.417 2.330) 3.516 1.237 ( -2.861 0.360 2.355) 3.722 1.267 ( 0.481 4.498 0.222) 4.530 1.406 ( -3.184 0.057 2.334) 3.948 1.453 ( 0.867 -0.170 -3.625) 3.731 1.552 ( 3.080 -2.742 -0.508) 4.154 1.647 ( 2.084 -1.178 3.006) 3.842 1.806 ( -1.325 -2.756 0.369) 3.080 1.857 ( 0.593 -0.030 -2.319) 2.393 1.907 ( -0.469 1.759 -0.648) 1.932 1.960 ( -1.733 0.408 -0.708) 1.916 2.052 ( 1.372 0.671 0.749) 1.701 2.247 ( -1.477 2.111 0.275) 2.591 2.593 ( 1.217 -0.794 0.873) 1.695 2.701 ( -0.751 -0.010 0.076) 0.755 2.777 ( -0.262 0.076 -1.406) 1.432 2.977 ( -1.490 -0.576 -2.262) 2.769 3.017 ( -1.077 -0.012 -0.658) 1.262 3.186 ( 1.519 -0.194 1.242) 1.972 3.252 ( -0.307 -0.152 -0.067) 0.349 3.466 ( 0.851 -0.686 0.777) 1.341 3.578 ( -0.197 -0.402 0.749) 0.873 3.673 ( 0.390 -0.452 0.360) 0.697 3.781 ( -0.463 0.483 0.265) 0.720 3.916 ( 0.145 0.327 1.043) 1.103 4.040 ( 0.973 -0.397 -0.244) 1.079 4.357 ( -0.697 0.701 1.110) 1.486 4.460 ( -0.376 -0.431 -1.084) 1.225 4.548 ( 0.920 -0.788 0.358) 1.263 4.831 ( -0.268 -0.067 -0.351) 0.447 5.072 ( 0.714 0.001 0.247) 0.756 5.398 ( -0.079 -0.168 -0.480) 0.514 5.730 ( 0.233 -0.386 0.209) 0.497 5.920 ( -0.156 -0.171 -0.487) 0.539 6.515 ( 0.312 0.141 0.102) 0.357 6.558 ( 0.243 -0.340 -0.085) 0.427 6.682 ( 0.124 0.004 0.238) 0.268 6.873 ( -0.259 -0.072 -0.253) 0.369 7.254 ( -0.223 -0.033 0.298) 0.374 7.284 ( -0.001 -0.406 0.165) 0.438 7.495 ( 0.211 -0.206 0.128) 0.322 7.548 ( -0.000 -0.269 -0.092) 0.285 7.857 ( 0.023 -0.125 -0.020) 0.129 7.859 ( -0.041 -0.251 0.015) 0.255 16.345 ( 0.230 0.468 0.186) 0.554 16.367 ( 0.055 0.362 0.184) 0.410 17.011 ( -0.732 -1.489 0.818) 1.850 17.054 ( 0.145 -1.833 -0.767) 1.992 17.789 ( -0.248 0.183 -0.189) 0.362 17.812 ( -0.684 0.567 0.120) 0.896 18.685 ( -0.214 0.163 0.298) 0.402 18.804 ( -0.057 -1.534 -0.403) 1.587 18.980 ( -0.827 0.339 0.259) 0.931 19.142 ( -1.311 -0.136 0.042) 1.319 19.706 ( 0.190 1.573 0.815) 1.782 19.836 ( 0.825 -2.338 -0.983) 2.667 ======================= Grid point 139 (64/93) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( -1.837 3.039 6.262) 7.199 0.436 ( -5.063 5.509 0.384) 7.492 0.624 ( -1.320 -4.189 -1.753) 4.729 0.787 ( -2.207 0.552 0.435) 2.316 0.856 ( 2.126 -2.258 -0.451) 3.134 0.922 ( -0.287 -0.755 0.825) 1.154 0.981 ( -0.739 2.681 0.584) 2.841 1.017 ( 2.518 2.286 4.111) 5.336 1.059 ( -0.151 1.840 -0.399) 1.889 1.108 ( 2.624 0.272 -0.809) 2.759 1.175 ( 2.819 -1.274 2.255) 3.828 1.235 ( 0.650 1.532 0.842) 1.865 1.254 ( 0.423 -0.665 3.964) 4.042 1.387 ( -2.671 -0.348 1.500) 3.083 1.442 ( 2.021 0.753 -3.015) 3.707 1.591 ( 1.563 -0.040 -0.592) 1.672 1.733 ( 2.094 -3.313 2.730) 4.776 1.825 ( -2.415 -0.425 -2.795) 3.719 1.847 ( -2.351 -0.932 -0.566) 2.592 1.866 ( 0.831 0.959 -1.945) 2.322 1.934 ( -0.019 1.641 1.825) 2.454 2.062 ( 2.096 0.697 1.988) 2.972 2.195 ( -2.113 1.618 0.322) 2.681 2.625 ( 1.332 -0.637 1.266) 1.945 2.686 ( -2.306 0.042 -1.867) 2.967 2.748 ( -2.720 0.212 -4.918) 5.624 2.918 ( -6.407 -0.135 -7.436) 9.816 2.988 ( -3.165 -0.164 -2.995) 4.361 3.231 ( 3.319 -0.329 2.963) 4.461 3.259 ( 0.948 -0.120 1.116) 1.469 3.509 ( 3.030 -1.154 3.029) 4.437 3.595 ( -0.318 -1.113 1.276) 1.723 3.688 ( 0.308 -0.526 0.219) 0.648 3.767 ( -0.303 0.401 -0.350) 0.612 3.930 ( 0.739 -0.438 3.445) 3.551 4.059 ( 1.424 -0.726 -0.485) 1.670 4.347 ( -0.757 0.589 2.427) 2.610 4.454 ( -0.649 -0.199 -2.220) 2.322 4.591 ( 3.489 -0.933 2.751) 4.540 4.822 ( -1.123 -0.060 -1.381) 1.781 5.090 ( 2.523 -0.027 2.000) 3.220 5.386 ( -1.826 -0.197 -2.606) 3.188 5.748 ( 1.088 -0.510 1.181) 1.685 5.913 ( -1.123 -0.281 -1.818) 2.155 6.517 ( 0.481 0.154 0.301) 0.588 6.562 ( -0.493 -0.497 -1.117) 1.318 6.696 ( 1.951 0.009 2.194) 2.936 6.865 ( -1.079 -0.047 -1.092) 1.536 7.257 ( -0.086 -0.217 0.815) 0.847 7.296 ( 0.066 -0.890 -0.003) 0.893 7.505 ( 0.454 -0.327 0.564) 0.794 7.552 ( -0.178 -0.380 -0.416) 0.591 7.860 ( -0.008 -0.192 0.070) 0.205 7.864 ( -0.019 -0.339 -0.080) 0.348 16.344 ( 0.923 0.311 0.627) 1.158 16.361 ( 0.007 0.426 0.381) 0.572 17.044 ( -0.675 -2.214 1.035) 2.536 17.090 ( -0.171 -2.458 -0.970) 2.648 17.781 ( -0.203 0.364 -0.274) 0.498 17.793 ( -1.151 0.743 0.169) 1.380 18.687 ( 0.282 -0.119 1.166) 1.205 18.824 ( -1.355 -1.716 -1.987) 2.955 18.973 ( 0.062 0.470 1.595) 1.664 19.127 ( -3.150 -0.425 -1.123) 3.371 19.694 ( 1.180 1.090 2.605) 3.061 19.876 ( 0.380 -2.254 -2.701) 3.538 ======================= Grid point 140 (65/93) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.350 ( -0.486 0.492 9.641) 9.666 0.397 ( 2.912 2.732 11.019) 11.720 0.669 ( -2.093 -3.160 -5.122) 6.371 0.735 ( -3.526 0.800 -2.065) 4.163 0.906 ( -0.513 2.230 4.408) 4.966 0.911 ( 1.484 0.225 1.648) 2.229 0.962 ( 0.063 -0.791 -0.268) 0.838 1.008 ( 2.082 0.540 0.774) 2.286 1.077 ( 1.307 -1.084 0.954) 1.948 1.141 ( 3.967 -0.654 -0.414) 4.042 1.200 ( 1.909 0.625 1.448) 2.477 1.221 ( 1.027 1.791 3.099) 3.723 1.264 ( -0.907 0.896 3.486) 3.712 1.385 ( 1.352 -0.141 -3.324) 3.591 1.442 ( 0.498 -0.033 -0.980) 1.100 1.548 ( -3.060 3.045 -3.148) 5.343 1.775 ( -1.181 -1.827 -0.586) 2.252 1.820 ( 0.044 0.510 -1.428) 1.517 1.841 ( -2.447 -1.715 0.038) 2.989 1.862 ( -2.564 -1.119 -1.323) 3.095 1.954 ( 9.452 1.780 9.597) 13.587 2.077 ( 1.896 0.694 2.953) 3.577 2.164 ( -2.060 0.302 -0.299) 2.103 2.616 ( -9.039 -0.451 -11.571) 14.690 2.645 ( -0.040 0.044 -0.205) 0.214 2.685 ( -3.239 0.508 -3.842) 5.051 2.856 ( -1.655 0.457 -1.215) 2.103 2.948 ( -3.658 -0.290 -3.835) 5.308 3.264 ( 1.363 -0.409 1.059) 1.774 3.277 ( 1.336 0.107 1.027) 1.688 3.576 ( 3.718 -1.178 3.801) 5.446 3.619 ( -0.378 -1.007 1.216) 1.624 3.687 ( -0.677 0.442 0.132) 0.819 3.764 ( 0.592 -0.140 -1.940) 2.033 3.980 ( 1.661 -1.578 4.955) 5.459 4.080 ( 0.993 -0.752 -1.093) 1.657 4.347 ( -0.706 0.338 3.298) 3.390 4.439 ( -0.204 -0.016 -3.044) 3.051 4.655 ( 4.436 -0.563 3.978) 5.985 4.804 ( -1.685 -0.107 -2.031) 2.641 5.131 ( 3.826 -0.073 3.760) 5.365 5.352 ( -3.306 -0.160 -4.320) 5.442 5.774 ( 1.719 -0.305 1.958) 2.623 5.895 ( -1.969 -0.326 -2.930) 3.545 6.521 ( 0.471 0.070 0.558) 0.733 6.558 ( -0.745 -0.319 -1.380) 1.601 6.730 ( 2.908 -0.097 2.889) 4.100 6.847 ( -1.786 0.003 -1.799) 2.535 7.268 ( 0.238 -0.281 1.403) 1.450 7.314 ( 0.098 -1.055 -0.885) 1.380 7.517 ( 0.513 -0.243 0.885) 1.051 7.554 ( -0.365 -0.271 -0.734) 0.863 7.863 ( -0.008 -0.149 0.149) 0.210 7.868 ( -0.014 -0.225 -0.158) 0.275 16.357 ( 0.004 0.161 0.606) 0.627 16.358 ( 1.487 -0.286 0.200) 1.528 17.081 ( -0.246 -1.625 1.253) 2.066 17.121 ( -0.326 -1.679 -1.125) 2.047 17.771 ( -0.558 0.415 0.067) 0.699 17.774 ( -0.396 0.407 -0.120) 0.580 18.705 ( 1.096 -0.275 2.118) 2.400 18.819 ( -2.500 -0.834 -3.020) 4.008 18.981 ( 1.481 0.273 2.219) 2.681 19.094 ( -4.336 -0.230 -2.355) 4.940 19.713 ( 1.963 0.181 4.547) 4.956 19.888 ( -0.840 -1.137 -4.404) 4.625 ======================= Grid point 142 (66/93) ======================= q-point: ( 0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( -0.986 0.000 -10.164) 10.212 0.541 ( 3.007 -0.000 -7.605) 8.178 0.599 ( 3.389 -0.000 10.413) 10.950 0.703 ( 3.858 -0.000 4.268) 5.754 0.894 ( -2.788 0.000 0.095) 2.790 0.958 ( -0.480 0.000 -0.130) 0.497 0.990 ( 0.636 -0.000 1.365) 1.506 1.012 ( 3.676 -0.000 -5.651) 6.741 1.089 ( -3.290 0.000 -2.093) 3.899 1.097 ( -2.856 0.000 1.747) 3.348 1.226 ( 0.079 -0.000 -3.252) 3.253 1.230 ( -6.171 0.000 0.407) 6.184 1.284 ( -0.246 0.000 1.095) 1.122 1.329 ( 0.310 -0.000 -4.980) 4.990 1.457 ( 3.838 -0.000 1.369) 4.075 1.498 ( 2.364 -0.000 1.371) 2.733 1.782 ( 1.926 -0.000 2.127) 2.869 1.789 ( -2.351 0.000 1.261) 2.668 1.869 ( 3.711 -0.000 1.030) 3.852 1.897 ( 3.085 -0.000 0.699) 3.164 2.033 ( -12.823 0.000 -15.333) 19.988 2.094 ( -1.826 0.000 -1.881) 2.622 2.155 ( 1.694 -0.000 2.363) 2.908 2.495 ( 13.059 -0.000 16.331) 20.910 2.646 ( -0.394 0.000 -0.330) 0.514 2.664 ( 1.926 -0.000 1.641) 2.530 2.854 ( -0.488 0.000 -0.491) 0.692 2.919 ( 3.025 -0.000 3.957) 4.981 3.273 ( -1.303 0.000 -0.573) 1.423 3.277 ( -0.723 0.000 -0.968) 1.208 3.597 ( -3.769 0.000 -1.707) 4.138 3.650 ( 0.612 -0.000 -0.992) 1.166 3.701 ( 0.221 -0.000 -1.858) 1.871 3.728 ( 0.561 -0.000 2.599) 2.659 4.041 ( -2.090 0.000 -3.463) 4.045 4.053 ( -1.422 0.000 2.316) 2.717 4.393 ( 1.026 -0.000 3.440) 3.589 4.407 ( 1.173 -0.000 -3.816) 3.992 4.683 ( -4.896 0.000 -4.479) 6.636 4.788 ( 1.967 -0.000 2.356) 3.069 5.161 ( -5.132 0.000 -5.093) 7.230 5.312 ( 3.836 -0.000 5.129) 6.405 5.794 ( -2.153 0.000 -2.490) 3.292 5.869 ( 2.073 -0.000 3.047) 3.685 6.524 ( -0.980 0.000 -0.744) 1.231 6.543 ( 0.363 -0.000 1.518) 1.561 6.751 ( -2.705 0.000 -3.102) 4.116 6.836 ( 2.290 -0.000 1.957) 3.012 7.291 ( -0.520 0.000 -1.523) 1.609 7.303 ( 0.085 -0.000 1.459) 1.462 7.529 ( -0.648 0.000 -0.938) 1.139 7.547 ( 0.433 -0.000 0.892) 0.992 7.868 ( 0.015 -0.000 -0.190) 0.191 7.868 ( 0.029 -0.000 0.192) 0.195 16.345 ( -1.344 0.000 0.217) 1.361 16.368 ( -0.161 0.000 -1.011) 1.024 17.117 ( 0.411 -0.000 -1.254) 1.319 17.124 ( 0.682 -0.000 1.225) 1.402 17.768 ( 0.429 -0.000 0.226) 0.485 17.782 ( 1.393 -0.000 -0.290) 1.423 18.732 ( -1.289 0.000 -2.360) 2.689 18.801 ( 2.728 -0.000 3.247) 4.241 19.002 ( -0.405 0.000 -1.926) 1.968 19.090 ( 4.270 -0.000 2.827) 5.122 19.765 ( -3.167 0.000 -5.178) 6.070 19.832 ( 0.883 -0.000 5.213) 5.287 ======================= Grid point 143 (67/93) ======================= q-point: ( 0.25 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 5.468 -0.617 -5.484) 7.769 0.507 ( 2.928 1.586 -7.204) 7.936 0.662 ( 3.963 1.657 5.631) 7.083 0.747 ( 3.149 0.454 5.128) 6.035 0.858 ( -3.273 1.523 0.177) 3.614 0.942 ( -1.508 0.255 0.464) 1.598 0.986 ( -1.046 0.318 -3.208) 3.390 1.046 ( 2.084 -2.501 -4.203) 5.316 1.051 ( -3.247 0.034 -2.233) 3.941 1.074 ( -1.067 -0.415 0.762) 1.375 1.179 ( -2.063 -0.236 -0.475) 2.130 1.225 ( -2.438 -0.948 -3.367) 4.263 1.299 ( 0.741 -0.496 -0.497) 1.021 1.348 ( -0.342 -3.754 -0.991) 3.898 1.454 ( 1.754 2.704 0.716) 3.302 1.556 ( 0.513 -2.463 0.130) 2.519 1.758 ( -2.789 1.821 1.543) 3.671 1.815 ( 4.508 0.471 2.852) 5.355 1.855 ( -6.671 -0.302 -6.882) 9.589 1.892 ( 2.499 2.178 1.097) 3.492 1.954 ( 1.225 -1.453 -2.985) 3.538 2.071 ( -1.885 -0.067 -2.129) 2.845 2.186 ( 2.124 -0.694 1.678) 2.794 2.634 ( 0.377 0.176 1.200) 1.270 2.645 ( 5.054 -0.208 7.236) 8.829 2.701 ( 3.096 -0.233 3.160) 4.430 2.873 ( 3.818 -0.106 4.284) 5.740 2.964 ( 3.286 0.001 4.031) 5.201 3.248 ( -2.539 0.253 -1.970) 3.223 3.266 ( -1.097 -0.085 -1.055) 1.524 3.542 ( -4.317 0.817 -2.920) 5.275 3.639 ( 0.825 1.253 -0.860) 1.729 3.699 ( 0.504 0.552 -0.053) 0.750 3.748 ( 0.401 -0.963 0.734) 1.275 3.995 ( -1.887 1.075 -3.725) 4.311 4.043 ( -1.925 0.278 1.074) 2.222 4.396 ( 1.049 0.257 -3.187) 3.365 4.422 ( 1.447 -0.206 2.849) 3.202 4.617 ( -4.987 0.422 -4.023) 6.421 4.811 ( 1.539 0.106 1.825) 2.390 5.102 ( -4.097 -0.056 -3.419) 5.336 5.360 ( 2.624 0.043 3.743) 4.572 5.766 ( -1.565 0.322 -1.710) 2.340 5.895 ( 1.391 0.102 2.394) 2.771 6.514 ( -0.946 -0.152 -0.512) 1.087 6.552 ( 0.398 0.220 1.561) 1.626 6.716 ( -2.316 0.033 -2.834) 3.660 6.860 ( 1.669 0.092 1.374) 2.163 7.278 ( -0.137 0.387 -1.091) 1.166 7.303 ( -0.120 0.549 0.809) 0.985 7.517 ( -0.575 0.321 -0.763) 1.008 7.551 ( 0.227 0.185 0.614) 0.680 7.865 ( 0.010 0.212 -0.096) 0.233 7.867 ( 0.048 0.170 0.103) 0.205 16.336 ( -1.207 -0.271 -0.247) 1.262 16.363 ( -0.250 -0.144 -0.707) 0.764 17.100 ( 0.632 1.784 -0.792) 2.051 17.119 ( 0.693 1.667 0.761) 1.959 17.775 ( 0.547 -0.181 0.244) 0.626 17.797 ( 1.611 -0.369 -0.169) 1.662 18.711 ( -0.557 0.388 -1.679) 1.811 18.828 ( 2.181 0.937 2.670) 3.573 18.995 ( 0.605 -0.080 -1.745) 1.849 19.135 ( 3.712 0.370 2.671) 4.588 19.719 ( -2.591 -0.113 -4.033) 4.795 19.850 ( -0.104 0.791 3.964) 4.043 ======================= Grid point 144 (68/93) ======================= q-point: ( 0.38 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 0.508 1.050 -4.233) 4.391 0.533 ( 6.997 1.635 1.924) 7.439 0.669 ( 4.083 0.824 -0.529) 4.199 0.763 ( -2.482 2.177 2.274) 4.009 0.830 ( 1.858 -0.214 4.891) 5.237 0.927 ( -3.083 -1.307 -2.097) 3.951 0.965 ( 0.573 0.297 0.908) 1.114 0.996 ( -3.664 0.223 -3.417) 5.015 1.071 ( -0.741 -1.290 -0.561) 1.590 1.142 ( 3.075 -1.844 0.134) 3.588 1.166 ( 1.169 -0.011 -3.590) 3.776 1.205 ( -3.583 -1.279 -0.912) 3.912 1.308 ( 2.161 -0.367 -3.477) 4.110 1.393 ( -0.261 0.239 2.887) 2.909 1.444 ( 1.579 -1.968 -1.851) 3.129 1.558 ( -2.696 0.387 -1.660) 3.190 1.689 ( -3.845 3.449 0.278) 5.173 1.811 ( -2.914 -1.924 -1.449) 3.780 1.850 ( 2.925 2.291 3.011) 4.783 1.889 ( 2.431 -0.044 0.746) 2.544 1.981 ( 2.313 -0.753 -1.829) 3.044 2.045 ( -1.983 0.022 -1.479) 2.474 2.231 ( 2.611 -1.475 0.706) 3.081 2.609 ( -2.041 0.647 -1.221) 2.465 2.704 ( 2.066 0.088 1.837) 2.766 2.739 ( 1.020 -0.829 2.654) 2.962 2.947 ( 5.747 0.424 6.829) 8.935 3.005 ( 2.445 -0.007 2.812) 3.726 3.204 ( -3.779 0.122 -3.437) 5.109 3.255 ( -0.525 0.077 -0.413) 0.672 3.485 ( -2.679 0.808 -1.805) 3.330 3.616 ( 0.896 1.578 -0.946) 2.046 3.686 ( -0.218 0.798 -0.225) 0.857 3.774 ( 0.831 -0.828 0.373) 1.231 3.950 ( -0.640 0.825 -2.789) 2.978 4.028 ( -1.854 -0.121 0.135) 1.863 4.386 ( 0.894 0.283 -2.321) 2.503 4.447 ( 1.187 0.074 2.130) 2.439 4.559 ( -3.136 0.539 -1.840) 3.676 4.827 ( 0.972 0.087 1.114) 1.481 5.067 ( -2.297 -0.354 -1.447) 2.738 5.387 ( 1.011 0.034 1.813) 2.076 5.742 ( -0.806 0.503 -0.837) 1.266 5.911 ( 0.616 0.021 1.320) 1.457 6.510 ( -0.694 -0.340 -0.315) 0.835 6.555 ( 0.005 0.272 0.884) 0.925 6.690 ( -1.068 0.056 -1.499) 1.841 6.873 ( 0.886 0.163 0.675) 1.126 7.267 ( 0.167 0.418 -0.588) 0.741 7.293 ( -0.110 0.615 0.247) 0.672 7.503 ( -0.313 0.395 -0.473) 0.691 7.550 ( -0.007 0.261 0.281) 0.383 7.860 ( -0.003 0.275 -0.008) 0.275 7.864 ( 0.062 0.272 0.017) 0.280 16.336 ( -0.589 -0.639 -0.286) 0.915 16.363 ( -0.172 -0.365 -0.407) 0.573 17.062 ( 0.481 2.606 -0.180) 2.656 17.089 ( 0.614 2.436 0.169) 2.518 17.784 ( 0.473 -0.213 0.301) 0.600 17.816 ( 1.265 -0.318 -0.170) 1.315 18.695 ( 0.013 0.383 -0.770) 0.860 18.827 ( 0.943 1.688 1.230) 2.292 18.996 ( 1.190 0.190 -0.897) 1.502 19.157 ( 2.072 0.781 1.326) 2.581 19.698 ( -1.133 -0.989 -2.094) 2.579 19.839 ( -0.838 1.457 2.172) 2.747 ======================= Grid point 145 (69/93) ======================= q-point: ( 0.50 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( -0.965 0.819 1.091) 1.671 0.540 ( 5.122 2.607 0.479) 5.768 0.690 ( 0.301 -0.469 -1.137) 1.267 0.726 ( 0.858 1.748 4.194) 4.624 0.878 ( -0.064 0.312 4.824) 4.835 0.942 ( -3.299 -2.230 -0.375) 4.000 0.959 ( -0.609 -0.777 -0.939) 1.362 0.994 ( 4.704 -1.291 -0.690) 4.926 1.051 ( -0.781 2.071 -0.843) 2.368 1.123 ( -0.379 -0.131 -2.083) 2.121 1.178 ( 1.495 1.479 0.582) 2.182 1.234 ( -0.767 -1.444 0.005) 1.635 1.338 ( 3.155 -3.001 -2.787) 5.170 1.403 ( -0.225 -0.027 3.180) 3.189 1.473 ( -0.496 1.265 -3.619) 3.866 1.500 ( -1.091 1.502 -0.009) 1.856 1.618 ( -2.714 -0.107 0.248) 2.727 1.814 ( -0.533 2.243 1.456) 2.727 1.843 ( 2.685 -0.492 1.853) 3.299 1.919 ( 0.806 -0.671 -0.175) 1.063 1.978 ( -0.970 0.656 -2.446) 2.712 2.046 ( 0.933 -0.935 0.583) 1.444 2.272 ( 1.036 -0.826 -0.485) 1.411 2.581 ( -0.804 0.277 -0.294) 0.900 2.707 ( -0.450 0.249 -0.464) 0.692 2.767 ( -0.020 -0.514 0.802) 0.953 2.972 ( -2.060 0.265 -2.168) 3.003 3.019 ( -0.872 0.083 -0.845) 1.217 3.182 ( 1.365 -0.031 1.843) 2.294 3.253 ( 0.314 0.199 0.807) 0.889 3.459 ( -0.219 0.300 0.353) 0.512 3.593 ( 0.735 1.208 -0.693) 1.575 3.672 ( -0.089 0.416 -0.213) 0.476 3.785 ( -0.716 -0.275 -0.656) 1.009 3.931 ( 0.580 0.409 -1.057) 1.273 4.022 ( -0.995 -0.604 -0.022) 1.164 4.379 ( 0.702 0.469 -0.847) 1.196 4.457 ( 0.335 0.281 0.774) 0.889 4.537 ( 0.160 0.187 1.183) 1.209 4.832 ( -0.016 0.109 -0.044) 0.119 5.063 ( -0.119 -0.479 0.479) 0.688 5.392 ( -0.671 -0.112 -0.377) 0.778 5.730 ( 0.176 0.354 0.193) 0.440 5.916 ( -0.347 -0.054 -0.036) 0.353 6.511 ( -0.374 -0.370 -0.190) 0.559 6.551 ( -0.659 -0.031 -0.290) 0.721 6.685 ( 0.755 0.172 0.676) 1.028 6.875 ( 0.038 0.183 -0.128) 0.227 7.260 ( 0.172 0.343 -0.176) 0.422 7.283 ( -0.146 0.356 0.004) 0.384 7.495 ( 0.117 0.224 -0.088) 0.268 7.546 ( -0.225 0.148 -0.023) 0.270 7.856 ( -0.000 0.168 0.039) 0.172 7.860 ( 0.047 0.233 -0.033) 0.241 16.344 ( -0.100 -0.572 -0.025) 0.581 16.367 ( -0.101 -0.321 -0.220) 0.402 17.021 ( 0.065 2.064 0.417) 2.106 17.053 ( 0.453 1.783 -0.429) 1.889 17.791 ( 0.303 -0.053 0.325) 0.447 17.825 ( 0.541 0.071 -0.224) 0.590 18.690 ( 0.295 0.172 0.043) 0.344 18.802 ( -0.168 1.424 -0.204) 1.448 18.998 ( 1.304 0.628 0.298) 1.478 19.156 ( 0.316 0.793 0.028) 0.854 19.712 ( 0.115 -1.395 -0.485) 1.481 19.812 ( -0.921 1.229 0.635) 1.662 ======================= Grid point 146 (70/93) ======================= q-point: (-0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( -0.025 0.054 3.349) 3.349 0.540 ( 3.611 1.794 0.130) 4.034 0.693 ( -0.237 5.283 3.390) 6.281 0.724 ( 2.045 -2.437 -1.142) 3.380 0.859 ( -0.315 2.112 4.589) 5.061 0.900 ( -5.465 -1.136 -3.350) 6.510 1.017 ( 1.344 0.433 -2.124) 2.551 1.035 ( 3.857 -1.631 3.077) 5.197 1.067 ( 2.184 -2.121 0.880) 3.169 1.130 ( 2.105 -0.030 -0.393) 2.141 1.163 ( 2.135 1.949 1.910) 3.465 1.226 ( -2.644 0.100 0.340) 2.667 1.340 ( -5.292 1.844 -0.759) 5.655 1.405 ( -1.266 0.782 0.520) 1.576 1.426 ( 4.177 -0.175 -0.427) 4.202 1.541 ( 3.927 -2.290 2.135) 5.022 1.638 ( -0.570 -2.230 1.356) 2.671 1.783 ( -0.586 0.973 0.669) 1.318 1.868 ( 1.830 1.351 -1.205) 2.574 1.916 ( -1.231 0.717 -2.481) 2.861 1.956 ( 0.140 -0.361 2.164) 2.198 2.076 ( 2.180 -0.175 1.573) 2.694 2.261 ( -1.577 1.088 -1.724) 2.578 2.594 ( 1.395 -0.965 1.346) 2.165 2.685 ( -3.227 0.034 -2.759) 4.246 2.751 ( -3.073 0.263 -3.728) 4.839 2.912 ( -4.933 -0.330 -5.607) 7.475 2.991 ( -2.700 0.231 -2.784) 3.885 3.223 ( 3.341 -0.052 3.593) 4.907 3.259 ( 0.834 0.222 1.461) 1.697 3.475 ( 1.994 -0.520 2.409) 3.170 3.581 ( 0.462 0.451 -0.008) 0.646 3.670 ( 0.211 -0.239 -0.090) 0.332 3.768 ( -2.280 -0.171 -1.675) 2.834 3.932 ( 1.219 0.281 0.848) 1.511 4.031 ( -0.146 -0.875 -0.236) 0.918 4.373 ( 0.497 0.729 0.760) 1.165 4.451 ( -0.468 0.213 -0.618) 0.804 4.565 ( 3.135 -0.324 3.567) 4.760 4.822 ( -1.133 0.091 -1.376) 1.784 5.085 ( 1.941 -0.357 2.223) 2.973 5.377 ( -2.230 -0.278 -2.492) 3.356 5.736 ( 1.185 -0.020 1.267) 1.735 5.906 ( -1.390 -0.088 -1.505) 2.051 6.515 ( -0.074 -0.319 -0.038) 0.329 6.545 ( -0.848 -0.369 -0.926) 1.309 6.701 ( 2.118 0.244 2.311) 3.144 6.866 ( -0.805 0.142 -0.978) 1.274 7.256 ( 0.066 0.189 0.200) 0.282 7.279 ( -0.232 -0.055 -0.125) 0.269 7.497 ( 0.511 -0.039 0.305) 0.596 7.542 ( -0.401 -0.106 -0.299) 0.511 7.855 ( 0.020 -0.039 0.019) 0.047 7.857 ( 0.003 0.070 -0.018) 0.073 16.351 ( 0.232 -0.149 0.236) 0.363 16.370 ( -0.087 -0.063 -0.079) 0.134 17.000 ( -0.305 0.430 0.878) 1.024 17.035 ( 0.240 0.086 -0.888) 0.924 17.793 ( 0.195 0.239 0.265) 0.406 17.819 ( -0.200 0.569 -0.203) 0.637 18.692 ( 0.406 0.232 0.620) 0.777 18.781 ( -0.896 -0.014 -1.191) 1.491 18.998 ( 1.341 0.937 1.439) 2.179 19.137 ( -1.211 0.741 -0.802) 1.630 19.729 ( 0.565 0.084 0.621) 0.844 19.801 ( -0.450 -0.916 -0.639) 1.204 ======================= Grid point 147 (71/93) ======================= q-point: (-0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( 0.218 1.802 2.904) 3.424 0.543 ( 2.197 0.218 -1.254) 2.539 0.576 ( -1.871 5.841 3.853) 7.243 0.770 ( 0.262 0.383 -4.108) 4.134 0.841 ( 1.425 -1.038 0.104) 1.766 0.912 ( -1.294 -1.713 4.117) 4.644 1.004 ( 1.482 1.233 -1.449) 2.412 1.067 ( 1.035 0.971 1.679) 2.199 1.101 ( -0.467 0.929 0.080) 1.043 1.136 ( 0.591 1.157 1.864) 2.273 1.168 ( 1.911 -1.143 0.801) 2.367 1.234 ( 0.484 -1.889 1.425) 2.415 1.317 ( 1.420 -0.184 2.096) 2.538 1.367 ( -2.673 1.337 -0.341) 3.008 1.466 ( 5.016 0.510 1.617) 5.295 1.611 ( 1.819 -0.450 2.327) 2.988 1.689 ( -0.580 -2.794 1.412) 3.184 1.777 ( -2.008 -1.031 0.506) 2.314 1.827 ( -1.045 1.333 -3.189) 3.610 1.858 ( -2.469 1.209 -4.387) 5.177 2.011 ( 6.647 0.486 7.191) 9.804 2.102 ( 2.728 0.487 2.277) 3.587 2.209 ( -2.265 1.741 -1.354) 3.162 2.595 ( -11.017 -0.830 -12.872) 16.963 2.634 ( 1.487 -0.497 1.925) 2.483 2.703 ( -2.073 0.468 -2.338) 3.160 2.874 ( -1.075 0.244 -1.387) 1.771 2.946 ( -3.402 0.267 -3.388) 4.808 3.256 ( 1.663 -0.013 1.558) 2.279 3.273 ( 1.006 -0.104 1.286) 1.637 3.527 ( 2.878 -1.239 3.316) 4.562 3.586 ( 0.280 -0.457 0.588) 0.795 3.681 ( 0.453 -0.639 0.042) 0.784 3.748 ( -2.174 -0.653 -1.658) 2.811 3.949 ( 1.376 -0.062 2.901) 3.212 4.044 ( -0.084 -1.056 -1.302) 1.679 4.369 ( 0.295 0.836 2.044) 2.228 4.439 ( -0.581 0.076 -1.776) 1.871 4.626 ( 4.400 -0.724 4.610) 6.413 4.799 ( -2.014 -0.079 -2.457) 3.178 5.127 ( 3.565 -0.215 3.768) 5.191 5.343 ( -3.632 -0.326 -4.258) 5.606 5.760 ( 1.950 -0.315 2.156) 2.924 5.884 ( -2.186 -0.206 -2.638) 3.432 6.520 ( 0.142 -0.206 0.199) 0.319 6.542 ( -0.719 -0.476 -1.003) 1.323 6.730 ( 2.772 0.150 3.003) 4.089 6.848 ( -1.593 0.087 -1.807) 2.410 7.258 ( 0.150 -0.125 0.660) 0.688 7.281 ( -0.294 -0.545 -0.297) 0.687 7.507 ( 0.691 -0.247 0.664) 0.989 7.540 ( -0.529 -0.344 -0.589) 0.863 7.857 ( 0.023 -0.115 0.013) 0.118 7.858 ( -0.022 -0.234 -0.018) 0.236 16.356 ( 0.561 0.095 0.420) 0.707 16.367 ( -0.170 0.203 0.062) 0.272 17.011 ( -0.364 -1.366 1.199) 1.853 17.046 ( 0.062 -1.613 -1.184) 2.002 17.789 ( 0.268 0.503 0.115) 0.581 17.801 ( -0.613 0.901 -0.082) 1.093 18.697 ( 0.796 0.035 1.347) 1.565 18.775 ( -1.568 -1.109 -2.075) 2.828 19.003 ( 1.775 0.919 2.246) 3.007 19.103 ( -2.373 0.745 -1.447) 2.877 19.731 ( 1.059 0.700 2.151) 2.498 19.822 ( -0.595 -2.096 -2.270) 3.147 ======================= Grid point 148 (72/93) ======================= q-point: (-0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( 1.226 2.205 6.701) 7.161 0.532 ( 3.020 2.960 5.880) 7.243 0.563 ( -1.353 -2.647 -2.976) 4.206 0.708 ( -1.347 1.326 -7.506) 7.740 0.895 ( 0.713 -1.699 1.847) 2.609 0.934 ( -1.514 -1.326 -1.512) 2.518 0.996 ( 1.735 2.046 4.043) 4.852 1.051 ( 0.801 1.891 -1.027) 2.296 1.074 ( -0.355 0.033 2.671) 2.694 1.136 ( 0.243 -0.081 -2.594) 2.607 1.216 ( 1.693 -0.788 4.209) 4.605 1.276 ( 1.645 -0.224 0.501) 1.734 1.313 ( -0.426 2.266 1.584) 2.798 1.353 ( 0.479 -1.657 -1.579) 2.338 1.497 ( 6.035 2.504 2.444) 6.976 1.565 ( -5.186 3.806 -2.906) 7.059 1.737 ( 1.164 -2.356 1.928) 3.259 1.775 ( -4.167 -1.163 0.539) 4.360 1.798 ( -4.044 -1.268 -1.384) 4.458 1.837 ( 3.804 -0.604 -3.365) 5.115 2.118 ( 7.840 1.274 8.213) 11.425 2.126 ( 6.497 0.409 7.486) 9.920 2.160 ( -1.989 1.079 -1.009) 2.478 2.429 ( -14.188 -0.538 -16.985) 22.138 2.653 ( 0.602 0.211 0.954) 1.147 2.673 ( -1.022 0.648 -1.235) 1.729 2.865 ( 0.656 0.462 1.044) 1.317 2.902 ( -2.630 0.056 -2.748) 3.804 3.273 ( 0.876 -0.134 0.851) 1.229 3.284 ( 0.111 -0.158 -0.039) 0.197 3.584 ( 1.107 -1.466 2.319) 2.959 3.607 ( 0.640 -1.187 0.303) 1.382 3.694 ( 0.466 -0.015 1.423) 1.498 3.741 ( -1.246 -0.894 -2.436) 2.878 3.986 ( 0.988 -1.097 4.364) 4.607 4.055 ( -0.297 -1.318 -2.431) 2.782 4.368 ( 0.140 0.701 2.920) 3.006 4.425 ( 0.031 -0.013 -2.746) 2.746 4.696 ( 3.976 -0.753 4.277) 5.888 4.770 ( -2.730 -0.332 -3.188) 4.210 5.185 ( 4.531 -0.172 5.059) 6.794 5.291 ( -4.668 -0.306 -5.412) 7.153 5.796 ( 2.367 -0.344 2.728) 3.628 5.855 ( -2.591 -0.332 -3.194) 4.127 6.526 ( 0.193 -0.109 0.548) 0.591 6.540 ( -0.625 -0.375 -0.908) 1.165 6.767 ( 2.914 -0.022 2.976) 4.165 6.821 ( -2.216 0.042 -2.484) 3.329 7.270 ( 0.361 -0.463 1.164) 1.304 7.290 ( -0.374 -0.942 -0.740) 1.255 7.522 ( 0.637 -0.315 0.925) 1.166 7.539 ( -0.582 -0.416 -0.856) 1.116 7.861 ( -0.006 -0.220 0.105) 0.243 7.863 ( 0.005 -0.300 -0.111) 0.320 16.361 ( -0.345 0.239 0.265) 0.497 16.363 ( 0.663 -0.111 0.119) 0.683 17.049 ( -0.069 -2.289 1.396) 2.682 17.077 ( 0.044 -2.286 -1.330) 2.645 17.780 ( -0.517 0.824 0.089) 0.977 17.782 ( 0.562 0.598 -0.095) 0.826 18.719 ( 1.536 -0.491 2.291) 2.802 18.769 ( -1.987 -1.019 -2.694) 3.499 19.018 ( 2.574 0.633 2.433) 3.598 19.061 ( -2.677 0.672 -1.892) 3.347 19.751 ( 1.628 -0.023 4.024) 4.341 19.831 ( -1.638 -1.539 -4.053) 4.634 ======================= Grid point 151 (73/93) ======================= q-point: ( 0.25 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 3.735 -0.000 -8.740) 9.505 0.542 ( 13.767 -0.000 0.814) 13.791 0.734 ( 1.837 -0.000 5.011) 5.337 0.777 ( -0.314 0.000 -0.509) 0.598 0.863 ( -0.270 0.000 2.749) 2.763 0.907 ( -5.159 0.000 -2.524) 5.743 0.963 ( -2.481 0.000 -2.065) 3.228 0.995 ( -1.684 0.000 -2.607) 3.103 1.039 ( -2.506 0.000 0.673) 2.595 1.084 ( 7.928 -0.000 -3.921) 8.845 1.162 ( -3.028 0.000 3.332) 4.502 1.199 ( 1.509 -0.000 -3.476) 3.789 1.300 ( -1.419 0.000 4.273) 4.502 1.305 ( 1.473 -0.000 -2.929) 3.279 1.518 ( 2.292 -0.000 -0.503) 2.347 1.521 ( -0.914 0.000 1.430) 1.697 1.733 ( -5.114 0.000 -1.539) 5.341 1.773 ( -3.758 0.000 -4.207) 5.641 1.864 ( 3.715 -0.000 1.100) 3.874 1.943 ( 1.362 -0.000 -0.110) 1.366 1.951 ( 2.815 -0.000 0.801) 2.927 2.048 ( -1.245 0.000 -2.019) 2.372 2.208 ( 2.482 -0.000 1.798) 3.065 2.623 ( -1.641 0.000 -0.538) 1.726 2.699 ( 3.222 -0.000 3.406) 4.689 2.721 ( -0.465 0.000 0.440) 0.641 2.960 ( 6.807 -0.000 8.306) 10.739 3.004 ( 1.921 -0.000 2.773) 3.374 3.207 ( -4.198 0.000 -3.505) 5.469 3.257 ( -0.221 0.000 -0.210) 0.305 3.503 ( -3.382 0.000 -2.206) 4.037 3.656 ( 0.923 -0.000 -0.444) 1.024 3.724 ( -1.511 0.000 -1.542) 2.159 3.724 ( 2.507 -0.000 0.273) 2.522 3.973 ( -1.158 0.000 -3.780) 3.953 4.025 ( -3.286 0.000 0.220) 3.293 4.392 ( 1.262 -0.000 -3.262) 3.497 4.449 ( 1.764 -0.000 3.043) 3.517 4.571 ( -3.447 0.000 -1.696) 3.842 4.829 ( 0.973 -0.000 1.072) 1.448 5.060 ( -2.894 0.000 -1.594) 3.304 5.388 ( 0.936 -0.000 1.961) 2.173 5.753 ( -0.813 0.000 -0.757) 1.111 5.912 ( 0.339 -0.000 1.465) 1.504 6.502 ( -1.011 0.000 -0.446) 1.105 6.562 ( -0.268 0.000 0.885) 0.925 6.692 ( -0.905 0.000 -1.383) 1.652 6.877 ( 1.012 -0.000 0.671) 1.215 7.276 ( 0.156 -0.000 -0.940) 0.953 7.308 ( -0.440 0.000 0.353) 0.564 7.512 ( -0.408 0.000 -0.575) 0.705 7.556 ( -0.059 0.000 0.354) 0.359 7.867 ( 0.075 -0.000 -0.143) 0.162 7.870 ( -0.001 0.000 0.157) 0.157 16.322 ( -1.047 0.000 -0.388) 1.117 16.355 ( -0.348 0.000 -0.745) 0.822 17.120 ( 1.075 -0.000 -0.885) 1.393 17.144 ( 0.425 -0.000 0.809) 0.914 17.780 ( 0.750 -0.000 0.376) 0.839 17.808 ( 1.759 -0.000 -0.068) 1.760 18.706 ( 0.239 -0.000 -1.056) 1.082 18.862 ( 1.059 -0.000 1.570) 1.894 19.001 ( 2.107 -0.000 -0.762) 2.240 19.180 ( 2.614 -0.000 2.762) 3.803 19.681 ( -1.715 0.000 -3.106) 3.548 19.868 ( -1.299 0.000 2.968) 3.240 ======================= Grid point 152 (74/93) ======================= q-point: ( 0.38 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 3.373 1.576 -5.568) 6.698 0.656 ( 9.223 2.524 2.988) 10.018 0.721 ( 0.837 1.935 0.292) 2.128 0.763 ( -2.173 -0.673 0.779) 2.405 0.847 ( -5.963 -1.073 -3.904) 7.208 0.884 ( 3.353 0.845 5.404) 6.416 0.958 ( -0.289 -0.229 1.101) 1.161 1.005 ( 0.255 -2.876 -2.973) 4.145 1.017 ( 0.949 1.313 1.158) 1.991 1.133 ( 2.089 -0.755 -1.611) 2.744 1.173 ( -1.934 -0.763 3.189) 3.808 1.201 ( 6.446 0.946 -1.461) 6.677 1.306 ( 1.861 0.059 -2.221) 2.898 1.348 ( -0.538 -3.724 2.185) 4.351 1.472 ( 0.752 2.647 0.009) 2.752 1.545 ( -1.380 0.006 0.072) 1.382 1.700 ( -4.443 1.855 -2.234) 5.308 1.744 ( -0.585 -2.809 1.422) 3.202 1.890 ( 1.404 -0.815 -1.506) 2.215 1.925 ( 0.257 2.055 0.507) 2.132 1.982 ( 1.276 -0.438 -0.830) 1.585 2.034 ( 0.398 0.270 -0.260) 0.547 2.238 ( 2.296 -0.433 0.377) 2.367 2.603 ( -1.475 0.613 -0.214) 1.611 2.707 ( -1.838 -0.273 -1.787) 2.578 2.745 ( 2.257 -0.498 2.995) 3.783 2.990 ( -3.370 0.568 -2.949) 4.514 3.018 ( -0.834 -0.137 -0.470) 0.967 3.182 ( 1.281 0.024 2.509) 2.817 3.261 ( 0.867 0.163 1.240) 1.522 3.475 ( -1.060 0.357 -0.009) 1.118 3.648 ( 0.959 1.407 -1.172) 2.067 3.692 ( -0.666 0.645 -1.495) 1.759 3.758 ( 0.857 -1.152 -0.785) 1.637 3.947 ( 0.143 0.502 -2.628) 2.679 4.002 ( -2.929 -0.458 -0.071) 2.965 4.389 ( 1.666 0.144 -2.299) 2.843 4.472 ( 0.967 0.341 2.172) 2.402 4.551 ( -0.493 0.314 1.652) 1.753 4.836 ( 0.176 0.079 0.192) 0.272 5.045 ( -0.819 -0.389 0.542) 1.056 5.392 ( -0.971 0.055 -0.238) 1.002 5.745 ( 0.039 0.341 0.200) 0.397 5.915 ( -0.538 0.011 0.323) 0.628 6.495 ( -0.753 -0.338 -0.310) 0.881 6.554 ( -1.402 0.092 -0.639) 1.544 6.691 ( 1.182 0.136 1.035) 1.577 6.882 ( 0.239 0.147 -0.059) 0.287 7.273 ( 0.381 0.261 -0.585) 0.745 7.301 ( -0.407 0.410 -0.092) 0.585 7.506 ( -0.069 0.247 -0.260) 0.365 7.554 ( -0.316 0.184 0.027) 0.367 7.865 ( 0.077 0.211 -0.058) 0.232 7.869 ( -0.005 0.178 0.075) 0.193 16.319 ( -0.411 -0.532 -0.189) 0.698 16.352 ( -0.264 -0.342 -0.604) 0.742 17.108 ( 1.020 1.863 -0.473) 2.177 17.133 ( 0.225 1.749 0.389) 1.805 17.789 ( 0.727 -0.036 0.518) 0.894 17.822 ( 1.334 -0.106 -0.175) 1.349 18.704 ( 0.871 0.424 -0.196) 0.988 18.858 ( -0.332 1.086 -0.165) 1.147 19.018 ( 2.802 0.389 0.567) 2.885 19.194 ( 0.744 1.034 1.103) 1.685 19.669 ( 0.070 -0.664 -1.257) 1.423 19.856 ( -2.195 0.790 1.409) 2.726 ======================= Grid point 153 (75/93) ======================= q-point: ( 0.50 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 2.396 1.526 0.363) 2.864 0.631 ( 2.409 3.043 -0.969) 4.000 0.686 ( -1.925 0.425 0.249) 1.987 0.780 ( -1.986 0.051 2.663) 3.323 0.849 ( 0.222 -1.763 -0.165) 1.784 0.931 ( 3.518 1.033 5.222) 6.381 0.962 ( 0.889 0.081 3.176) 3.299 1.032 ( 2.926 -1.201 -3.644) 4.825 1.050 ( 2.423 -0.516 2.436) 3.475 1.113 ( -0.072 1.268 -1.625) 2.062 1.181 ( -2.343 -0.862 3.505) 4.304 1.258 ( 6.416 0.678 0.293) 6.458 1.310 ( 2.417 -0.892 -4.088) 4.832 1.416 ( -1.295 -0.689 2.597) 2.982 1.442 ( -0.296 -0.419 -1.967) 2.032 1.520 ( -0.632 0.771 1.057) 1.452 1.618 ( -1.537 2.041 -1.661) 3.047 1.816 ( 0.498 -1.808 4.360) 4.746 1.891 ( 0.685 0.111 -1.055) 1.263 1.908 ( 0.998 0.204 -0.136) 1.028 1.967 ( -1.755 0.614 -2.368) 3.010 2.055 ( 2.965 -0.292 2.106) 3.648 2.259 ( 0.430 -0.688 -1.570) 1.767 2.584 ( -0.242 0.504 0.263) 0.618 2.680 ( -4.033 -0.436 -3.181) 5.155 2.769 ( -0.204 0.456 -0.048) 0.502 2.896 ( -7.378 -0.393 -8.280) 11.098 2.998 ( -2.339 0.083 -2.419) 3.366 3.226 ( 3.339 0.149 4.605) 5.690 3.273 ( 1.143 0.412 1.880) 2.239 3.474 ( 1.025 0.293 2.094) 2.350 3.620 ( 0.835 1.461 -1.780) 2.449 3.676 ( -0.182 0.428 -0.526) 0.702 3.761 ( -1.596 -0.276 -2.049) 2.612 3.939 ( 1.471 0.149 -1.114) 1.851 3.997 ( -1.690 -0.997 0.205) 1.973 4.393 ( 1.960 0.360 -0.923) 2.196 4.470 ( -0.704 0.678 0.778) 1.249 4.569 ( 2.789 0.384 4.344) 5.176 4.829 ( -0.976 0.227 -1.028) 1.435 5.065 ( 1.576 -0.648 2.587) 3.098 5.370 ( -2.617 -0.066 -2.394) 3.547 5.746 ( 1.045 0.442 1.202) 1.653 5.906 ( -1.464 0.024 -0.999) 1.773 6.498 ( -0.386 -0.540 -0.186) 0.689 6.536 ( -1.533 -0.141 -1.171) 1.934 6.711 ( 2.375 0.315 2.565) 3.510 6.875 ( -0.585 0.275 -0.846) 1.065 7.268 ( 0.370 0.393 -0.224) 0.584 7.289 ( -0.351 0.467 -0.254) 0.637 7.502 ( 0.383 0.265 0.135) 0.485 7.546 ( -0.532 0.235 -0.269) 0.641 7.861 ( 0.050 0.284 0.040) 0.291 7.865 ( 0.008 0.277 -0.027) 0.278 16.330 ( 0.042 -0.835 0.150) 0.849 16.356 ( -0.178 -0.553 -0.469) 0.747 17.071 ( 0.501 2.812 0.215) 2.864 17.095 ( 0.194 2.543 -0.291) 2.567 17.797 ( 0.551 0.037 0.637) 0.843 17.829 ( 0.627 0.061 -0.413) 0.753 18.704 ( 1.147 0.594 0.619) 1.433 18.822 ( -1.163 1.644 -1.266) 2.379 19.034 ( 2.603 0.940 1.441) 3.121 19.173 ( -0.564 1.281 -0.631) 1.536 19.691 ( 1.327 -1.209 0.323) 1.823 19.823 ( -2.328 1.061 0.021) 2.559 ======================= Grid point 154 (76/93) ======================= q-point: ( 0.62 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 2.654 1.446 3.855) 4.899 0.594 ( 0.594 2.441 -0.846) 2.651 0.701 ( 1.612 -1.904 -0.177) 2.501 0.789 ( -4.425 -3.341 -0.094) 5.545 0.832 ( 0.829 4.932 3.354) 6.022 0.939 ( 2.627 3.449 2.919) 5.227 1.000 ( -0.408 -2.565 3.209) 4.128 1.034 ( 1.244 -0.307 -0.694) 1.458 1.112 ( 6.038 0.087 0.759) 6.086 1.118 ( 1.691 -1.145 0.638) 2.140 1.192 ( -2.924 -0.966 1.031) 3.248 1.245 ( 2.829 3.378 -0.511) 4.435 1.316 ( -6.186 2.219 -0.134) 6.573 1.353 ( -0.096 -1.555 -5.436) 5.655 1.487 ( 2.071 -1.201 1.536) 2.844 1.541 ( 0.899 -1.902 1.081) 2.366 1.624 ( 4.938 -0.139 3.788) 6.226 1.812 ( -1.176 1.844 1.865) 2.874 1.883 ( -3.090 -0.097 -3.929) 4.999 1.910 ( 0.042 1.995 -3.548) 4.071 1.982 ( 5.789 -1.547 7.970) 9.971 2.100 ( 3.066 -0.538 2.851) 4.221 2.246 ( -1.917 0.242 -2.825) 3.423 2.561 ( -7.688 -0.603 -9.000) 11.852 2.627 ( -1.899 -0.096 -0.687) 2.022 2.722 ( -2.769 0.619 -3.234) 4.302 2.863 ( -0.422 -0.767 -0.665) 1.099 2.958 ( -3.103 0.278 -3.227) 4.485 3.261 ( 1.966 0.248 2.523) 3.208 3.280 ( 0.773 0.473 1.439) 1.701 3.500 ( 2.262 -0.227 3.276) 3.988 3.597 ( 0.440 0.926 -1.311) 1.664 3.669 ( 0.159 0.134 -0.069) 0.219 3.733 ( -2.694 -0.064 -2.422) 3.623 3.952 ( 2.074 0.009 0.426) 2.118 4.005 ( -1.250 -1.187 -0.374) 1.764 4.398 ( 1.825 0.719 0.434) 2.009 4.449 ( -1.513 0.543 -0.367) 1.649 4.617 ( 4.467 0.208 5.319) 6.949 4.803 ( -2.186 0.274 -2.404) 3.261 5.113 ( 3.428 -0.554 4.107) 5.378 5.331 ( -3.836 -0.264 -4.123) 5.638 5.760 ( 2.004 0.271 2.159) 2.958 5.881 ( -2.307 0.046 -2.282) 3.245 6.505 ( -0.066 -0.551 -0.007) 0.554 6.526 ( -0.984 -0.435 -0.941) 1.430 6.740 ( 2.773 0.378 3.104) 4.179 6.855 ( -1.396 0.319 -1.662) 2.194 7.263 ( 0.249 0.374 0.116) 0.464 7.277 ( -0.367 0.273 -0.307) 0.551 7.505 ( 0.725 0.121 0.465) 0.870 7.536 ( -0.681 0.095 -0.502) 0.852 7.857 ( 0.033 0.188 0.071) 0.204 7.860 ( -0.004 0.233 -0.065) 0.242 16.347 ( 0.249 -0.674 0.325) 0.789 16.363 ( -0.169 -0.469 -0.355) 0.612 17.028 ( -0.130 2.253 0.863) 2.417 17.052 ( 0.286 1.928 -0.908) 2.150 17.802 ( 0.375 0.212 0.651) 0.781 17.826 ( -0.015 0.397 -0.529) 0.662 18.708 ( 1.086 0.553 1.099) 1.641 18.777 ( -1.419 1.234 -1.667) 2.513 19.042 ( 2.268 1.216 2.046) 3.288 19.138 ( -1.520 1.157 -1.511) 2.436 19.728 ( 1.544 -1.046 0.836) 2.044 19.789 ( -1.775 0.457 -0.666) 1.950 ======================= Grid point 155 (77/93) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( 2.364 1.396 3.131) 4.164 0.545 ( -0.752 1.782 -2.271) 2.983 0.707 ( -0.089 4.704 2.781) 5.465 0.771 ( -0.741 0.446 -3.407) 3.515 0.828 ( 0.887 -1.560 3.590) 4.014 0.893 ( -0.146 1.565 -2.204) 2.708 1.062 ( 4.079 0.707 2.962) 5.090 1.070 ( -1.561 -1.805 2.404) 3.387 1.110 ( -1.352 1.425 2.786) 3.409 1.159 ( 1.922 -0.137 1.450) 2.412 1.182 ( -1.188 1.733 -2.726) 3.442 1.197 ( -0.074 -1.980 -0.877) 2.167 1.289 ( -0.043 -1.755 0.730) 1.902 1.349 ( -0.299 -0.373 -4.380) 4.406 1.539 ( 3.901 -0.915 3.170) 5.109 1.585 ( -2.228 -2.608 -0.926) 3.553 1.696 ( 5.639 0.393 5.808) 8.104 1.775 ( -2.783 1.590 2.040) 3.799 1.816 ( -4.538 1.477 -4.104) 6.294 1.858 ( 1.592 1.754 -4.345) 4.949 2.110 ( 7.881 -1.005 9.089) 12.072 2.151 ( 4.700 -0.074 5.110) 6.943 2.202 ( -2.093 1.041 -2.274) 3.261 2.408 ( -13.624 -0.558 -15.472) 20.623 2.649 ( 1.772 -0.372 2.208) 2.856 2.687 ( -1.682 0.158 -1.759) 2.439 2.875 ( 0.883 -0.007 0.972) 1.313 2.913 ( -2.576 0.381 -2.763) 3.797 3.275 ( 0.913 0.282 1.057) 1.425 3.283 ( 0.174 0.228 0.431) 0.518 3.543 ( 1.884 -0.759 2.886) 3.530 3.583 ( -0.247 0.030 -1.061) 1.090 3.677 ( 1.007 -0.503 0.700) 1.326 3.706 ( -2.460 -0.553 -1.955) 3.191 3.974 ( 1.813 -0.018 1.943) 2.658 4.011 ( -1.147 -1.162 -1.682) 2.344 4.400 ( 1.330 1.002 1.451) 2.209 4.427 ( -1.281 0.185 -1.298) 1.833 4.678 ( 4.414 -0.110 5.013) 6.680 4.763 ( -3.170 0.035 -3.606) 4.801 5.176 ( 4.488 -0.352 5.078) 6.787 5.279 ( -4.621 -0.329 -5.223) 6.981 5.788 ( 2.611 0.006 2.847) 3.863 5.847 ( -2.750 -0.053 -3.051) 4.108 6.516 ( 0.171 -0.472 0.258) 0.565 6.525 ( -0.533 -0.483 -0.649) 0.968 6.771 ( 2.764 0.287 3.071) 4.141 6.826 ( -2.100 0.271 -2.417) 3.214 7.262 ( 0.251 0.097 0.474) 0.545 7.271 ( -0.362 -0.083 -0.388) 0.537 7.513 ( 0.743 -0.076 0.702) 1.025 7.528 ( -0.677 -0.155 -0.710) 0.994 7.856 ( 0.013 -0.007 0.039) 0.041 7.857 ( -0.013 0.054 -0.038) 0.068 16.360 ( 0.350 -0.301 0.346) 0.577 16.365 ( -0.248 -0.167 -0.247) 0.388 17.005 ( -0.435 0.439 1.219) 1.367 17.029 ( 0.390 0.275 -1.215) 1.305 17.802 ( 0.268 0.438 0.518) 0.729 17.812 ( -0.242 0.721 -0.469) 0.893 18.714 ( 1.022 0.297 1.431) 1.784 18.745 ( -1.305 0.139 -1.765) 2.199 19.050 ( 2.298 1.122 2.418) 3.520 19.094 ( -2.171 1.100 -1.991) 3.144 19.753 ( 1.017 -0.036 1.279) 1.634 19.779 ( -1.015 -1.034 -1.293) 1.942 ======================= Grid point 156 (78/93) ======================= q-point: (-0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( -0.871 1.709 0.837) 2.093 0.526 ( 2.849 0.426 -1.779) 3.386 0.639 ( -0.538 4.238 4.796) 6.423 0.709 ( 0.834 2.511 -5.039) 5.691 0.862 ( -3.675 -1.363 -0.876) 4.016 0.900 ( 1.684 -1.596 1.720) 2.888 1.038 ( -1.956 1.226 0.219) 2.319 1.077 ( 0.682 1.486 -0.221) 1.650 1.090 ( -0.869 0.781 1.821) 2.164 1.141 ( 0.703 0.971 -1.708) 2.087 1.228 ( 2.109 -2.645 3.600) 4.940 1.239 ( -1.211 -2.103 -3.401) 4.178 1.315 ( 0.148 -0.002 0.030) 0.151 1.347 ( 2.191 -1.170 -0.941) 2.656 1.550 ( -6.173 1.558 -3.942) 7.488 1.603 ( 4.221 0.244 3.761) 5.659 1.734 ( -2.734 -0.703 -3.337) 4.370 1.743 ( -2.885 0.635 2.382) 3.794 1.755 ( 2.651 0.475 4.355) 5.120 1.850 ( 4.280 0.021 -3.032) 5.245 2.147 ( -3.181 0.595 -2.348) 3.998 2.170 ( 2.508 0.672 2.521) 3.619 2.233 ( -12.431 -0.115 -14.442) 19.055 2.299 ( 13.390 -0.118 14.894) 20.028 2.664 ( -0.950 0.029 -0.431) 1.043 2.674 ( 0.947 0.408 0.574) 1.180 2.874 ( -1.415 0.253 -0.268) 1.462 2.895 ( 1.787 0.387 0.891) 2.034 3.277 ( -0.610 0.076 -0.553) 0.827 3.281 ( 0.250 0.030 0.258) 0.360 3.570 ( -1.329 -0.853 0.135) 1.585 3.588 ( 0.495 -1.099 -0.430) 1.280 3.693 ( -1.550 -0.794 -0.733) 1.889 3.711 ( 1.713 -0.955 1.267) 2.335 3.995 ( -0.352 -0.563 1.468) 1.612 4.017 ( 0.244 -1.002 -1.528) 1.843 4.399 ( 0.591 0.924 1.856) 2.156 4.412 ( -0.155 -0.062 -1.850) 1.858 4.717 ( -3.901 -0.386 -4.094) 5.668 4.737 ( 3.281 -0.320 3.651) 4.919 5.218 ( -4.744 -0.248 -4.833) 6.777 5.246 ( 4.537 -0.233 4.828) 6.629 5.812 ( -2.647 -0.271 -2.957) 3.979 5.827 ( 2.671 -0.155 2.931) 3.968 6.526 ( 0.013 -0.300 0.272) 0.405 6.527 ( -0.160 -0.358 -0.127) 0.412 6.789 ( -2.535 0.161 -2.817) 3.793 6.804 ( 2.495 0.103 2.530) 3.555 7.269 ( 0.107 -0.393 0.475) 0.626 7.271 ( -0.092 -0.426 -0.271) 0.513 7.520 ( -0.676 -0.351 -0.324) 0.827 7.528 ( 0.627 -0.257 0.285) 0.736 7.857 ( -0.056 -0.160 0.022) 0.170 7.858 ( 0.055 -0.188 -0.024) 0.197 16.361 ( -0.466 0.165 -0.148) 0.516 16.367 ( 0.337 -0.053 0.141) 0.369 17.018 ( -0.370 -1.573 1.211) 2.020 17.039 ( 0.605 -1.427 -1.160) 1.936 17.791 ( -0.373 0.755 -0.060) 0.845 17.800 ( 0.743 0.659 0.043) 0.994 18.726 ( -0.877 -0.460 -0.420) 1.076 18.738 ( 1.117 -0.515 0.521) 1.336 19.047 ( -2.052 0.937 -2.201) 3.152 19.065 ( 2.731 0.777 2.388) 3.710 19.773 ( 0.996 -0.477 2.624) 2.847 19.780 ( -1.471 -0.912 -2.658) 3.172 ======================= Grid point 160 (79/93) ======================= q-point: ( 0.38 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 3.489 -0.000 -5.178) 6.244 0.698 ( -2.863 0.000 -2.962) 4.120 0.702 ( -8.768 0.000 -1.015) 8.827 0.790 ( 0.362 -0.000 -3.293) 3.313 0.815 ( 8.330 -0.000 5.678) 10.081 0.953 ( 1.481 -0.000 1.292) 1.965 0.961 ( 5.236 -0.000 5.251) 7.416 0.989 ( 1.432 -0.000 -0.117) 1.437 1.023 ( -1.098 0.000 0.772) 1.342 1.157 ( 6.222 -0.000 -4.130) 7.468 1.166 ( -2.338 0.000 6.448) 6.858 1.278 ( 8.472 -0.000 -0.248) 8.476 1.311 ( -1.686 0.000 3.573) 3.951 1.321 ( 2.445 -0.000 0.489) 2.494 1.502 ( -2.708 0.000 0.376) 2.734 1.530 ( 0.777 -0.000 -1.813) 1.973 1.666 ( -3.967 0.000 -3.150) 5.066 1.747 ( 3.561 -0.000 6.470) 7.385 1.863 ( -1.381 0.000 -4.793) 4.988 1.940 ( 0.017 -0.000 -0.775) 0.776 1.972 ( -1.410 0.000 -1.348) 1.951 2.059 ( 3.065 -0.000 2.224) 3.787 2.248 ( 0.753 -0.000 -0.624) 0.978 2.603 ( -0.273 0.000 0.911) 0.951 2.665 ( -4.507 0.000 -3.674) 5.815 2.775 ( 2.116 -0.000 1.971) 2.892 2.891 ( -9.693 0.000 -10.906) 14.591 2.998 ( -2.453 0.000 -2.117) 3.240 3.229 ( 3.290 -0.000 5.136) 6.100 3.281 ( 1.388 -0.000 1.987) 2.424 3.481 ( 0.652 -0.000 1.965) 2.070 3.657 ( -0.059 0.000 -3.221) 3.222 3.686 ( -0.130 0.000 -0.532) 0.548 3.750 ( 0.401 -0.000 -1.500) 1.553 3.945 ( 1.011 -0.000 -2.133) 2.361 3.973 ( -2.587 0.000 0.348) 2.610 4.399 ( 2.607 -0.000 -1.607) 3.063 4.485 ( -0.910 0.000 1.267) 1.560 4.578 ( 2.663 -0.000 4.640) 5.350 4.833 ( -0.834 0.000 -0.812) 1.164 5.051 ( 1.531 -0.000 2.748) 3.146 5.370 ( -2.820 0.000 -2.378) 3.689 5.756 ( 0.900 -0.000 1.156) 1.465 5.906 ( -1.480 0.000 -0.723) 1.647 6.486 ( -0.415 0.000 -0.187) 0.455 6.534 ( -1.939 0.000 -1.415) 2.400 6.718 ( 2.489 -0.000 2.690) 3.664 6.880 ( -0.496 0.000 -0.802) 0.943 7.276 ( 0.496 -0.000 -0.410) 0.644 7.299 ( -0.494 0.000 -0.354) 0.608 7.508 ( 0.266 -0.000 0.053) 0.272 7.551 ( -0.550 0.000 -0.272) 0.613 7.867 ( 0.143 -0.000 -0.075) 0.161 7.870 ( -0.082 0.000 0.096) 0.126 16.312 ( -0.019 0.000 0.124) 0.125 16.344 ( -0.218 0.000 -0.676) 0.711 17.133 ( 1.203 -0.000 -0.489) 1.299 17.151 ( -0.222 0.000 0.374) 0.434 17.798 ( 0.730 -0.000 0.665) 0.987 17.830 ( 0.875 -0.000 -0.282) 0.920 18.720 ( 1.576 -0.000 0.574) 1.677 18.856 ( -1.366 0.000 -1.426) 1.974 19.053 ( 3.153 -0.000 1.633) 3.551 19.205 ( -1.102 0.000 0.034) 1.102 19.669 ( 1.907 -0.000 0.256) 1.925 19.844 ( -3.258 0.000 0.141) 3.261 ======================= Grid point 161 (80/93) ======================= q-point: ( 0.50 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 4.284 0.347 -1.213) 4.466 0.632 ( -8.122 -1.438 -0.785) 8.286 0.666 ( -0.722 0.844 -0.469) 1.206 0.755 ( -0.969 1.290 -3.394) 3.758 0.885 ( 3.423 0.532 3.490) 4.917 0.970 ( -0.095 -1.029 -1.162) 1.555 0.996 ( 2.387 0.126 2.155) 3.219 1.032 ( 2.008 0.376 2.552) 3.268 1.057 ( 3.945 -2.071 2.904) 5.318 1.165 ( 3.089 1.584 0.610) 3.525 1.186 ( -0.083 0.962 4.963) 5.056 1.300 ( 3.348 0.273 -1.814) 3.818 1.324 ( 1.326 0.417 -0.149) 1.398 1.389 ( 2.778 -1.934 2.816) 4.403 1.445 ( -4.528 2.081 -2.135) 5.422 1.522 ( -1.130 0.298 -1.131) 1.626 1.636 ( 1.895 0.086 -0.145) 1.903 1.832 ( -1.157 -1.011 -1.558) 2.189 1.837 ( 1.938 -1.205 3.172) 3.908 1.946 ( -0.404 0.067 1.308) 1.370 1.951 ( 2.779 0.153 0.107) 2.785 2.094 ( 2.942 0.157 2.781) 4.052 2.242 ( -0.935 -0.112 -1.831) 2.059 2.567 ( -9.365 0.616 -9.287) 13.203 2.617 ( -0.608 -0.374 0.331) 0.787 2.741 ( -5.158 0.334 -6.230) 8.095 2.835 ( 1.336 -0.517 0.868) 1.675 2.962 ( -3.316 -0.019 -3.038) 4.497 3.270 ( 1.959 0.153 3.357) 3.890 3.297 ( 0.879 0.309 1.535) 1.795 3.502 ( 1.570 0.130 3.204) 3.571 3.630 ( -0.166 0.641 -3.810) 3.867 3.684 ( 0.387 0.461 0.459) 0.757 3.738 ( -1.297 0.141 -2.056) 2.435 3.948 ( 1.840 -0.078 -1.159) 2.176 3.965 ( -1.819 -0.845 0.276) 2.024 4.416 ( 3.216 0.266 -0.621) 3.286 4.469 ( -2.660 0.387 0.326) 2.707 4.630 ( 4.452 0.318 5.727) 7.261 4.813 ( -2.056 0.204 -2.045) 2.907 5.094 ( 3.712 -0.365 4.567) 5.897 5.326 ( -4.130 -0.040 -4.170) 5.870 5.772 ( 1.824 0.259 2.038) 2.747 5.884 ( -2.269 0.070 -1.825) 2.913 6.487 ( 0.061 -0.347 -0.029) 0.353 6.514 ( -1.529 -0.174 -1.202) 1.953 6.752 ( 2.804 0.226 3.213) 4.270 6.866 ( -1.276 0.201 -1.562) 2.027 7.277 ( 0.455 0.262 -0.154) 0.547 7.291 ( -0.491 0.297 -0.408) 0.704 7.511 ( 0.641 0.166 0.386) 0.767 7.542 ( -0.719 0.177 -0.529) 0.910 7.866 ( 0.097 0.226 0.019) 0.247 7.868 ( -0.062 0.166 -0.001) 0.177 16.320 ( 0.234 -0.579 0.414) 0.750 16.343 ( -0.160 -0.423 -0.692) 0.826 17.121 ( 0.647 2.032 0.055) 2.133 17.134 ( -0.194 1.699 -0.149) 1.717 17.806 ( 0.533 0.053 0.796) 0.960 17.832 ( 0.255 0.048 -0.544) 0.603 18.733 ( 1.877 0.605 1.303) 2.364 18.825 ( -1.961 0.945 -2.012) 2.964 19.080 ( 2.743 0.723 2.113) 3.538 19.180 ( -1.890 0.950 -1.234) 2.449 19.699 ( 3.031 -0.429 1.430) 3.379 19.809 ( -3.541 0.386 -0.975) 3.693 ======================= Grid point 162 (81/93) ======================= q-point: (-0.38 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 4.093 0.927 2.920) 5.112 0.613 ( -2.532 -0.747 -3.499) 4.383 0.654 ( -2.052 -1.334 3.210) 4.036 0.719 ( -0.021 -0.261 -3.058) 3.069 0.907 ( -0.229 0.243 4.681) 4.693 0.986 ( -0.950 -1.330 -1.153) 2.000 1.008 ( 0.207 1.531 0.326) 1.579 1.031 ( 2.285 0.986 0.258) 2.502 1.129 ( 2.112 -0.990 2.327) 3.295 1.168 ( 0.841 0.226 -0.415) 0.965 1.186 ( 1.772 1.816 5.822) 6.351 1.301 ( 0.349 1.714 -3.680) 4.075 1.308 ( -5.732 2.152 -0.026) 6.123 1.331 ( 2.634 1.081 -3.707) 4.675 1.472 ( 2.576 -1.807 1.789) 3.620 1.503 ( -2.083 -1.166 -1.216) 2.679 1.697 ( 6.017 -0.943 4.495) 7.569 1.801 ( -4.974 -1.322 -5.656) 7.648 1.856 ( -0.498 1.545 2.856) 3.285 1.915 ( -0.585 0.892 -2.868) 3.060 2.070 ( 9.917 -1.147 10.560) 14.532 2.131 ( 2.492 -0.483 2.771) 3.758 2.223 ( -1.021 0.182 -1.024) 1.457 2.396 ( -13.853 -0.055 -14.997) 20.416 2.637 ( 1.928 -0.198 2.249) 2.969 2.688 ( -2.661 -0.067 -3.182) 4.148 2.867 ( 2.088 -0.286 2.259) 3.089 2.920 ( -3.193 -0.002 -3.030) 4.402 3.288 ( 0.936 0.357 1.651) 1.931 3.298 ( 0.180 0.514 0.610) 0.818 3.530 ( 1.659 -0.041 3.419) 3.801 3.599 ( -0.670 0.586 -3.379) 3.494 3.681 ( 0.792 0.599 0.862) 1.315 3.708 ( -1.690 0.527 -1.888) 2.588 3.967 ( 0.728 -0.510 -0.149) 0.902 3.969 ( -0.220 -1.013 -0.382) 1.105 4.433 ( 2.955 0.736 0.241) 3.055 4.437 ( -3.032 0.341 -0.291) 3.065 4.687 ( 4.613 0.462 5.333) 7.067 4.773 ( -3.244 0.402 -3.412) 4.725 5.161 ( 4.825 -0.404 5.465) 7.301 5.269 ( -4.765 -0.232 -5.275) 7.113 5.796 ( 2.599 0.320 2.736) 3.787 5.851 ( -2.724 0.170 -2.686) 3.829 6.497 ( 0.372 -0.475 0.191) 0.633 6.506 ( -0.744 -0.487 -0.744) 1.160 6.784 ( 2.663 0.369 3.138) 4.132 6.838 ( -2.019 0.356 -2.298) 3.080 7.273 ( 0.289 0.422 0.128) 0.527 7.279 ( -0.443 0.369 -0.361) 0.680 7.517 ( 0.840 0.205 0.600) 1.052 7.530 ( -0.782 0.208 -0.685) 1.060 7.862 ( 0.007 0.289 0.090) 0.303 7.864 ( -0.006 0.277 -0.081) 0.289 16.337 ( 0.309 -0.816 0.483) 0.997 16.348 ( -0.184 -0.646 -0.640) 0.928 17.077 ( -0.530 2.907 0.760) 3.051 17.093 ( 0.477 2.570 -0.794) 2.731 17.811 ( 0.230 0.150 0.845) 0.889 17.827 ( -0.193 0.188 -0.727) 0.775 18.741 ( 1.693 1.038 1.726) 2.631 18.778 ( -1.966 1.263 -2.054) 3.111 19.093 ( 2.195 1.215 2.339) 3.430 19.136 ( -2.256 1.191 -1.913) 3.188 19.739 ( 2.957 -0.340 1.685) 3.420 19.771 ( -2.864 0.127 -1.453) 3.214 ======================= Grid point 163 (82/93) ======================= q-point: (-0.25 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -1.010 2.893 -1.811) 3.559 0.565 ( 1.166 0.924 0.710) 1.649 0.702 ( -2.402 -2.502 0.098) 3.470 0.749 ( 3.111 -2.121 0.860) 3.862 0.890 ( -0.644 3.873 4.520) 5.987 0.942 ( 0.397 4.185 -4.111) 5.880 1.011 ( -1.966 -3.094 2.978) 4.723 1.063 ( 1.063 -2.534 -1.910) 3.347 1.119 ( -5.290 0.375 -0.497) 5.327 1.146 ( -3.594 0.024 -1.547) 3.913 1.207 ( -1.599 3.242 0.493) 3.648 1.227 ( 5.723 0.938 5.083) 7.712 1.281 ( 1.029 0.022 -2.222) 2.449 1.338 ( 3.540 0.271 -3.037) 4.672 1.513 ( -1.930 -2.267 -0.724) 3.064 1.534 ( 1.621 -2.217 0.669) 2.827 1.736 ( -7.433 -0.236 -6.260) 9.721 1.776 ( 3.765 -0.114 5.095) 6.337 1.825 ( -1.083 2.291 3.051) 3.966 1.889 ( 2.579 1.446 -2.528) 3.890 2.148 ( -3.702 -0.385 -4.039) 5.493 2.157 ( 0.436 -1.254 1.051) 1.693 2.235 ( -8.723 0.253 -9.571) 12.952 2.295 ( 12.749 -0.075 13.540) 18.598 2.654 ( -1.753 -0.373 -0.957) 2.031 2.677 ( 2.038 -0.203 1.030) 2.292 2.879 ( -2.110 0.014 -0.909) 2.298 2.903 ( 2.079 0.015 1.442) 2.530 3.289 ( -0.446 0.501 -0.376) 0.769 3.290 ( 0.188 0.445 0.439) 0.653 3.557 ( 0.082 -0.062 1.599) 1.603 3.568 ( -0.951 0.033 -2.275) 2.466 3.680 ( -1.191 0.289 -1.293) 1.782 3.691 ( 1.779 0.057 1.735) 2.486 3.967 ( -2.064 -1.016 -1.012) 2.513 3.997 ( 2.251 -0.439 0.396) 2.328 4.409 ( -2.340 -0.007 -0.713) 2.446 4.439 ( 2.035 1.164 0.770) 2.468 4.716 ( -4.071 0.335 -4.345) 5.964 4.738 ( 3.733 0.352 4.082) 5.542 5.208 ( -4.549 -0.316 -4.950) 6.730 5.235 ( 4.830 -0.334 5.008) 6.965 5.811 ( -2.727 0.176 -2.870) 3.963 5.828 ( 2.889 0.216 2.941) 4.128 6.509 ( -0.170 -0.599 -0.203) 0.655 6.512 ( 0.534 -0.441 0.268) 0.743 6.800 ( -2.538 0.391 -2.730) 3.748 6.812 ( 2.269 0.349 2.563) 3.441 7.267 ( -0.406 0.236 -0.135) 0.489 7.271 ( 0.271 0.309 0.204) 0.459 7.516 ( -0.795 0.106 -0.508) 0.949 7.525 ( 0.850 0.085 0.429) 0.955 7.858 ( -0.022 0.181 0.050) 0.189 7.859 ( -0.006 0.242 -0.049) 0.247 16.355 ( -0.070 -0.582 -0.136) 0.601 16.355 ( 0.107 -0.619 0.028) 0.629 17.028 ( -0.898 2.105 0.894) 2.457 17.051 ( 0.660 2.062 -0.861) 2.330 17.811 ( -0.311 0.323 0.379) 0.587 17.818 ( 0.003 0.312 -0.362) 0.478 18.732 ( -1.384 0.794 -0.817) 1.792 18.746 ( 1.278 0.992 0.880) 1.841 19.085 ( -2.539 1.142 -2.227) 3.565 19.099 ( 1.877 1.149 2.364) 3.230 19.748 ( -1.911 -0.656 -1.159) 2.329 19.770 ( 2.212 0.175 1.187) 2.517 ======================= Grid point 164 (83/93) ======================= q-point: (-0.12 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( -0.630 1.732 -2.185) 2.859 0.553 ( -0.411 1.092 -0.749) 1.387 0.710 ( -2.402 -1.308 -0.394) 2.763 0.739 ( 0.496 5.824 0.740) 5.892 0.860 ( 1.295 3.573 -1.363) 4.037 0.891 ( 1.085 -2.216 2.420) 3.456 1.021 ( -3.847 0.146 -2.432) 4.554 1.062 ( -5.029 -0.007 0.835) 5.097 1.106 ( 0.175 -2.414 -2.286) 3.329 1.133 ( -1.836 1.037 -1.111) 2.384 1.180 ( 0.939 -1.928 1.610) 2.682 1.253 ( 3.505 1.216 -1.787) 4.117 1.310 ( -0.116 -1.939 3.125) 3.679 1.349 ( 3.770 0.519 -1.529) 4.102 1.505 ( -3.387 0.260 -3.070) 4.578 1.587 ( -1.605 -2.674 -0.282) 3.132 1.667 ( -3.684 -1.692 -4.038) 5.722 1.762 ( -2.133 2.291 2.778) 4.185 1.836 ( 3.862 1.318 4.056) 5.754 1.879 ( 2.855 1.044 -1.723) 3.494 2.075 ( -7.013 -0.671 -8.982) 11.415 2.123 ( -4.257 0.252 -3.829) 5.731 2.214 ( 2.454 0.339 3.017) 3.904 2.478 ( 13.262 -0.312 14.576) 19.708 2.642 ( -1.264 -0.373 -1.435) 1.948 2.697 ( 1.258 0.352 1.473) 1.969 2.867 ( -0.280 -0.111 0.182) 0.351 2.931 ( 2.763 0.313 2.788) 3.937 3.270 ( -1.221 0.373 -1.360) 1.866 3.282 ( -0.523 0.270 -0.477) 0.757 3.532 ( -2.880 -0.385 -2.801) 4.036 3.577 ( 0.092 -0.484 0.468) 0.679 3.669 ( -0.596 -0.276 -0.375) 0.756 3.725 ( 2.464 -0.612 2.473) 3.544 3.962 ( -1.818 -0.928 -1.873) 2.770 4.021 ( 1.345 -0.272 0.782) 1.580 4.393 ( -1.142 -0.256 -1.215) 1.687 4.435 ( 1.122 1.106 1.133) 1.940 4.654 ( -4.685 -0.034 -5.060) 6.896 4.778 ( 2.726 0.142 3.154) 4.171 5.153 ( -4.169 -0.206 -4.617) 6.224 5.303 ( 4.405 -0.224 4.837) 6.546 5.775 ( -2.388 -0.041 -2.645) 3.563 5.862 ( 2.657 0.081 2.845) 3.893 6.516 ( -0.049 -0.423 -0.210) 0.475 6.527 ( 0.609 -0.317 0.805) 1.058 6.757 ( -2.821 0.289 -3.147) 4.236 6.836 ( 1.911 0.193 2.089) 2.838 7.261 ( -0.306 -0.072 -0.291) 0.428 7.272 ( 0.321 -0.026 0.478) 0.576 7.507 ( -0.755 -0.131 -0.626) 0.989 7.534 ( 0.701 -0.062 0.519) 0.875 7.855 ( -0.039 0.050 -0.013) 0.065 7.857 ( 0.017 -0.014 0.012) 0.025 16.357 ( -0.354 -0.155 -0.344) 0.517 16.367 ( 0.210 -0.274 0.190) 0.394 17.004 ( -0.722 0.139 0.762) 1.059 17.030 ( 0.751 0.352 -0.690) 1.079 17.799 ( -0.436 0.524 -0.241) 0.723 17.815 ( 0.428 0.327 0.203) 0.576 18.709 ( -1.081 0.111 -1.086) 1.536 18.752 ( 1.498 0.170 1.528) 2.147 19.036 ( -2.175 0.869 -2.247) 3.245 19.108 ( 1.924 0.704 2.063) 2.908 19.747 ( -1.106 -0.851 -1.098) 1.775 19.783 ( 1.010 0.159 1.091) 1.495 ======================= Grid point 169 (84/93) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( -8.335 0.000 -0.114) 8.336 0.555 ( 6.022 -0.000 -0.298) 6.029 0.667 ( -0.490 0.000 1.177) 1.275 0.747 ( -0.365 0.000 -4.321) 4.336 0.931 ( 1.991 -0.000 1.462) 2.471 0.954 ( -0.682 0.000 -1.045) 1.248 1.008 ( -1.254 0.000 0.502) 1.351 1.016 ( 1.757 -0.000 -0.212) 1.770 1.111 ( 1.317 -0.000 5.340) 5.500 1.211 ( 2.012 -0.000 -4.505) 4.934 1.226 ( 2.649 -0.000 8.754) 9.146 1.315 ( -0.399 0.000 2.474) 2.505 1.331 ( 1.272 -0.000 -0.532) 1.378 1.383 ( -3.032 0.000 -6.197) 6.899 1.442 ( 1.626 -0.000 3.789) 4.123 1.509 ( -1.102 0.000 -2.908) 3.110 1.654 ( 2.635 -0.000 2.741) 3.802 1.758 ( -3.894 0.000 -7.042) 8.047 1.893 ( 2.694 -0.000 3.506) 4.422 1.921 ( -2.529 0.000 -1.112) 2.762 2.045 ( 11.105 -0.000 10.214) 15.088 2.125 ( 1.203 -0.000 2.032) 2.361 2.225 ( -0.597 0.000 -0.295) 0.666 2.397 ( -14.647 0.000 -15.431) 21.275 2.635 ( 1.900 -0.000 2.155) 2.872 2.687 ( -2.901 0.000 -3.586) 4.612 2.862 ( 2.818 -0.000 2.739) 3.930 2.918 ( -3.641 0.000 -2.990) 4.712 3.296 ( 0.970 -0.000 2.070) 2.286 3.309 ( 0.199 -0.000 0.599) 0.631 3.531 ( 1.338 -0.000 3.491) 3.739 3.611 ( -0.697 0.000 -4.479) 4.533 3.697 ( 0.568 -0.000 0.978) 1.131 3.723 ( -0.957 0.000 -1.682) 1.935 3.944 ( -1.740 0.000 0.258) 1.759 3.958 ( 2.100 -0.000 -1.133) 2.386 4.445 ( -3.964 0.000 -0.027) 3.964 4.447 ( 3.854 -0.000 -0.185) 3.858 4.698 ( 4.593 -0.000 5.391) 7.082 4.782 ( -3.142 0.000 -3.199) 4.484 5.153 ( 5.183 -0.000 5.727) 7.724 5.265 ( -5.026 0.000 -5.407) 7.382 5.803 ( 2.525 -0.000 2.644) 3.656 5.854 ( -2.667 0.000 -2.432) 3.609 6.488 ( 0.675 -0.000 0.183) 0.700 6.497 ( -1.062 0.000 -0.851) 1.361 6.792 ( 2.620 -0.000 3.167) 4.110 6.845 ( -1.980 0.000 -2.249) 2.996 7.282 ( 0.432 -0.000 0.010) 0.432 7.287 ( -0.599 0.000 -0.398) 0.719 7.522 ( 0.868 -0.000 0.589) 1.050 7.535 ( -0.811 0.000 -0.723) 1.087 7.869 ( -0.162 0.000 0.044) 0.167 7.870 ( 0.162 -0.000 -0.030) 0.165 16.319 ( 0.338 -0.000 0.603) 0.692 16.334 ( -0.129 0.000 -0.876) 0.886 17.144 ( -0.949 0.000 0.160) 0.963 17.147 ( 0.893 -0.000 -0.215) 0.919 17.814 ( 0.327 -0.000 0.854) 0.915 17.830 ( -0.275 0.000 -0.679) 0.732 18.764 ( 2.162 -0.000 1.870) 2.858 18.805 ( -2.492 0.000 -2.272) 3.372 19.120 ( 2.459 -0.000 2.481) 3.494 19.162 ( -2.679 0.000 -1.756) 3.204 19.735 ( 4.206 -0.000 2.097) 4.700 19.773 ( -4.049 0.000 -1.769) 4.419 ======================= Grid point 170 (85/93) ======================= q-point: (-0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( -6.156 -2.628 -0.144) 6.695 0.617 ( 6.460 -0.563 2.704) 7.025 0.668 ( -0.257 0.882 1.831) 2.049 0.714 ( 0.232 0.800 -3.481) 3.579 0.925 ( -0.820 1.170 1.629) 2.167 0.943 ( -0.851 -0.834 -1.779) 2.142 1.019 ( -1.306 -1.218 -0.513) 1.858 1.045 ( 2.272 -0.883 0.330) 2.460 1.121 ( -3.562 -0.089 2.456) 4.328 1.154 ( -5.158 1.345 -3.935) 6.626 1.275 ( -0.339 0.978 4.926) 5.034 1.303 ( -0.877 2.200 -0.958) 2.555 1.314 ( 1.840 1.639 -4.614) 5.231 1.363 ( 4.303 -0.260 1.204) 4.476 1.463 ( -2.956 0.346 -2.208) 3.706 1.492 ( 3.040 -0.924 2.260) 3.899 1.697 ( -5.516 -1.030 -5.576) 7.911 1.725 ( 3.349 -2.123 3.798) 5.490 1.889 ( -1.356 1.152 0.988) 2.035 1.921 ( 2.020 0.296 0.132) 2.046 2.114 ( -5.857 -0.678 -5.627) 8.150 2.136 ( -0.350 -0.316 -0.041) 0.473 2.239 ( -6.830 -0.003 -7.015) 9.790 2.296 ( 13.032 0.070 13.449) 18.727 2.651 ( -1.667 0.194 -1.494) 2.247 2.667 ( 2.006 -0.296 1.535) 2.544 2.876 ( -3.248 -0.109 -2.343) 4.006 2.901 ( 2.764 -0.079 2.950) 4.044 3.305 ( 0.212 0.284 0.807) 0.881 3.306 ( -0.427 0.322 -0.414) 0.677 3.556 ( 0.804 0.008 3.360) 3.455 3.579 ( -1.326 0.279 -4.425) 4.628 3.700 ( -0.425 0.603 -0.094) 0.744 3.707 ( 0.603 0.375 0.112) 0.719 3.936 ( -1.945 -0.571 0.020) 2.028 3.976 ( 2.427 -0.539 -0.795) 2.610 4.410 ( -3.986 0.036 -0.048) 3.986 4.472 ( 3.344 0.562 0.046) 3.391 4.731 ( -3.977 0.336 -4.356) 5.908 4.753 ( 3.789 0.301 4.233) 5.689 5.198 ( -4.979 -0.204 -5.689) 7.563 5.226 ( 5.426 -0.137 5.727) 7.890 5.819 ( -2.597 0.178 -2.652) 3.716 5.837 ( 2.916 0.191 2.863) 4.091 6.490 ( -0.388 -0.328 -0.405) 0.650 6.499 ( 1.123 -0.231 0.400) 1.215 6.812 ( -2.582 0.241 -2.790) 3.809 6.824 ( 2.157 0.207 2.705) 3.466 7.278 ( -0.656 0.235 -0.253) 0.742 7.284 ( 0.345 0.270 0.200) 0.482 7.523 ( -0.800 0.180 -0.727) 1.096 7.531 ( 0.950 0.148 0.611) 1.139 7.866 ( -0.158 0.176 0.035) 0.240 7.869 ( 0.124 0.217 -0.029) 0.252 16.330 ( 0.345 -0.530 0.605) 0.876 16.333 ( -0.186 -0.465 -0.913) 1.041 17.117 ( -1.194 1.915 0.320) 2.280 17.136 ( 0.643 1.808 -0.299) 1.942 17.818 ( -0.199 0.134 0.663) 0.706 17.823 ( -0.450 -0.003 -0.615) 0.762 18.766 ( -2.491 0.737 -1.881) 3.208 18.784 ( 1.992 0.754 1.951) 2.889 19.122 ( -3.026 0.750 -2.067) 3.741 19.141 ( 1.994 0.967 2.582) 3.403 19.733 ( -3.622 -0.194 -1.918) 4.103 19.780 ( 4.354 0.205 1.962) 4.780 ======================= Grid point 171 (86/93) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( -3.898 -2.532 -2.552) 5.303 0.619 ( -0.256 3.587 -0.264) 3.605 0.687 ( 0.570 0.190 2.398) 2.472 0.736 ( 4.771 -2.781 1.780) 5.802 0.921 ( -3.239 -1.917 0.453) 3.791 0.948 ( -1.058 0.381 0.031) 1.125 1.004 ( -2.015 1.766 -1.032) 2.871 1.030 ( -1.444 0.217 -3.867) 4.134 1.079 ( -3.126 0.198 -0.958) 3.275 1.113 ( -2.531 -0.058 -0.127) 2.535 1.233 ( -4.162 2.087 2.548) 5.308 1.266 ( 0.639 0.681 -2.892) 3.040 1.286 ( -0.037 -0.223 -3.948) 3.955 1.401 ( 4.772 2.479 3.028) 6.171 1.454 ( -1.457 -2.558 -1.453) 3.283 1.537 ( 3.452 -0.007 0.151) 3.456 1.633 ( -6.382 -0.587 -4.475) 7.817 1.807 ( 2.254 -1.286 4.711) 5.379 1.864 ( -0.345 1.288 1.827) 2.262 1.923 ( 1.454 1.011 -0.918) 1.995 2.030 ( -7.075 -1.889 -9.551) 12.035 2.108 ( -3.851 -0.305 -2.956) 4.864 2.215 ( -0.131 -0.172 2.121) 2.132 2.480 ( 13.805 0.451 13.866) 19.571 2.632 ( -0.356 -0.140 -0.763) 0.853 2.701 ( 2.329 -0.080 2.746) 3.601 2.851 ( -1.635 -0.632 -1.263) 2.160 2.938 ( 2.750 0.116 3.321) 4.313 3.287 ( -1.202 0.496 -1.581) 2.047 3.298 ( -0.503 0.482 -0.322) 0.767 3.538 ( -2.158 0.463 -3.980) 4.551 3.574 ( 0.079 0.121 2.496) 2.500 3.679 ( -0.388 0.648 -0.762) 1.074 3.718 ( 1.760 0.153 2.001) 2.669 3.930 ( -2.030 -0.737 -0.279) 2.178 4.005 ( 2.223 -0.673 -0.511) 2.378 4.383 ( -2.999 -0.261 0.081) 3.011 4.478 ( 1.882 1.153 -0.028) 2.207 4.666 ( -4.295 0.561 -5.102) 6.693 4.790 ( 2.712 0.416 3.033) 4.090 5.141 ( -3.964 -0.429 -4.977) 6.378 5.297 ( 4.831 -0.119 4.964) 6.928 5.782 ( -2.232 0.350 -2.442) 3.327 5.869 ( 2.759 0.249 2.619) 3.812 6.497 ( 0.152 -0.573 -0.119) 0.604 6.516 ( 1.308 -0.236 0.723) 1.513 6.770 ( -2.952 0.371 -3.129) 4.318 6.846 ( 1.649 0.300 2.095) 2.683 7.267 ( -0.607 0.274 -0.106) 0.674 7.281 ( 0.300 0.404 0.374) 0.627 7.510 ( -0.695 0.225 -0.620) 0.958 7.538 ( 0.857 0.223 0.530) 1.032 7.861 ( -0.113 0.228 0.002) 0.254 7.864 ( 0.054 0.337 -0.004) 0.341 16.338 ( -0.253 -0.736 -0.682) 1.035 16.347 ( 0.301 -0.728 0.477) 0.921 17.067 ( -1.254 2.633 0.512) 2.961 17.097 ( 0.507 2.696 -0.425) 2.776 17.810 ( -0.763 0.139 -0.473) 0.909 17.820 ( -0.312 0.051 0.397) 0.507 18.725 ( -2.041 0.720 -1.435) 2.597 18.789 ( 1.777 1.399 1.904) 2.957 19.070 ( -3.189 0.984 -2.153) 3.972 19.144 ( 1.189 1.364 2.288) 2.917 19.709 ( -2.461 -0.942 -1.417) 2.992 19.811 ( 3.500 0.932 1.266) 3.837 ======================= Grid point 172 (87/93) ======================= q-point: (-0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -0.834 -0.336 -4.608) 4.695 0.546 ( -4.040 2.520 0.096) 4.763 0.680 ( -0.771 0.255 -0.176) 0.831 0.838 ( -0.548 3.569 -0.829) 3.705 0.851 ( 0.377 -2.175 0.083) 2.209 0.924 ( -2.262 0.513 0.652) 2.409 0.986 ( -0.432 0.643 -0.513) 0.929 1.030 ( -0.601 -1.502 -1.676) 2.330 1.042 ( -2.236 0.190 -1.981) 2.993 1.112 ( 0.641 -1.917 -0.282) 2.041 1.178 ( -4.544 1.043 1.472) 4.889 1.250 ( -0.351 0.026 -2.117) 2.146 1.299 ( -0.928 -2.570 -0.420) 2.765 1.402 ( 2.543 1.238 1.520) 3.211 1.474 ( -0.919 -0.858 -1.455) 1.923 1.539 ( -0.366 1.370 -3.233) 3.531 1.603 ( -0.206 -1.588 0.067) 1.602 1.808 ( -0.905 2.721 2.643) 3.900 1.881 ( 0.649 0.075 2.139) 2.236 1.902 ( 0.059 0.236 -1.994) 2.009 1.990 ( -1.300 -0.853 -4.546) 4.805 2.074 ( -3.172 -0.767 -2.375) 4.036 2.239 ( 0.730 -0.764 2.630) 2.834 2.581 ( 1.700 -0.309 1.563) 2.329 2.668 ( 5.495 0.250 4.689) 7.228 2.729 ( 2.862 0.756 4.250) 5.179 2.871 ( 2.786 -0.807 2.727) 3.981 2.973 ( 2.601 0.185 3.255) 4.170 3.253 ( -2.483 0.445 -3.039) 3.949 3.278 ( -1.120 0.486 -1.159) 1.684 3.494 ( -2.366 0.288 -3.065) 3.883 3.576 ( -0.420 0.193 1.022) 1.122 3.667 ( 0.013 0.305 -0.054) 0.310 3.749 ( 2.167 -0.400 2.570) 3.385 3.927 ( -1.508 -0.727 -0.648) 1.795 4.027 ( 1.262 -0.344 -0.352) 1.355 4.371 ( -1.667 -0.529 -0.024) 1.749 4.466 ( 0.634 1.190 -0.077) 1.351 4.599 ( -3.810 0.514 -4.598) 5.994 4.813 ( 1.702 0.305 1.960) 2.614 5.102 ( -2.578 -0.313 -3.386) 4.267 5.353 ( 3.498 -0.079 3.536) 4.975 5.750 ( -1.625 0.306 -1.817) 2.457 5.896 ( 2.053 0.195 1.953) 2.840 6.509 ( 0.323 -0.480 -0.002) 0.578 6.534 ( 1.219 -0.131 1.028) 1.601 6.725 ( -2.752 0.325 -2.934) 4.036 6.860 ( 1.117 0.232 1.351) 1.769 7.258 ( -0.413 0.126 -0.037) 0.433 7.279 ( 0.239 0.288 0.402) 0.549 7.499 ( -0.473 0.130 -0.449) 0.665 7.542 ( 0.571 0.168 0.368) 0.700 7.857 ( -0.030 0.148 -0.046) 0.157 7.859 ( -0.018 0.259 0.042) 0.263 16.346 ( -0.204 -0.595 -0.348) 0.719 16.362 ( 0.195 -0.533 0.280) 0.633 17.018 ( -0.998 1.781 0.619) 2.134 17.055 ( 0.479 2.031 -0.520) 2.151 17.799 ( -0.576 0.181 -0.423) 0.737 17.819 ( -0.290 -0.063 0.322) 0.438 18.698 ( -1.145 0.174 -0.778) 1.395 18.785 ( 1.385 1.328 1.420) 2.387 19.021 ( -2.646 0.683 -1.861) 3.306 19.140 ( 0.596 0.812 1.634) 1.919 19.713 ( -1.141 -1.514 -0.592) 1.986 19.814 ( 1.940 1.526 0.452) 2.509 ======================= Grid point 178 (88/93) ======================= q-point: (-0.38 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( -6.331 0.000 2.190) 6.699 0.661 ( -1.695 0.000 8.355) 8.525 0.707 ( 8.004 -0.000 -1.423) 8.130 0.710 ( 0.980 -0.000 -3.270) 3.414 0.902 ( -4.362 0.000 -3.079) 5.339 0.954 ( 0.262 -0.000 0.331) 0.422 0.990 ( -1.267 0.000 -0.008) 1.267 1.034 ( 0.526 -0.000 -1.074) 1.196 1.090 ( -6.227 0.000 -6.410) 8.937 1.095 ( -5.411 0.000 2.076) 5.795 1.274 ( -3.480 0.000 2.504) 4.287 1.300 ( 0.834 -0.000 -6.531) 6.584 1.352 ( 1.390 -0.000 -1.167) 1.815 1.365 ( -5.913 0.000 -3.280) 6.762 1.473 ( 5.286 -0.000 3.600) 6.395 1.492 ( 0.413 -0.000 2.250) 2.288 1.644 ( -1.797 0.000 -3.620) 4.042 1.750 ( 3.105 -0.000 5.946) 6.708 1.891 ( -0.647 0.000 -0.911) 1.118 1.948 ( 2.002 -0.000 1.259) 2.365 1.980 ( -9.326 0.000 -10.855) 14.311 2.106 ( -3.712 0.000 -2.198) 4.313 2.215 ( -0.727 0.000 1.949) 2.080 2.493 ( 15.464 -0.000 15.031) 21.565 2.631 ( -1.132 0.000 -1.832) 2.154 2.698 ( 3.047 -0.000 4.026) 5.049 2.837 ( -2.950 0.000 -2.125) 3.636 2.940 ( 2.990 -0.000 3.575) 4.660 3.297 ( -1.149 0.000 -1.714) 2.063 3.308 ( -0.549 0.000 -0.294) 0.623 3.548 ( -1.755 0.000 -4.533) 4.861 3.577 ( 0.314 -0.000 3.696) 3.710 3.699 ( -0.283 0.000 -1.316) 1.346 3.718 ( 0.387 -0.000 1.527) 1.575 3.918 ( -1.657 0.000 0.516) 1.735 3.986 ( 2.531 -0.000 -0.986) 2.716 4.378 ( -3.834 0.000 0.469) 3.863 4.501 ( 2.389 -0.000 -0.393) 2.421 4.679 ( -4.062 0.000 -5.098) 6.518 4.798 ( 2.561 -0.000 2.889) 3.861 5.131 ( -4.154 0.000 -5.220) 6.672 5.295 ( 5.075 -0.000 5.137) 7.221 5.790 ( -2.061 0.000 -2.269) 3.066 5.875 ( 2.772 -0.000 2.450) 3.699 6.485 ( 0.135 -0.000 -0.142) 0.196 6.512 ( 1.726 -0.000 0.760) 1.886 6.777 ( -2.994 0.000 -3.153) 4.348 6.852 ( 1.515 -0.000 2.113) 2.600 7.273 ( -0.778 0.000 -0.096) 0.784 7.290 ( 0.322 -0.000 0.415) 0.525 7.515 ( -0.671 0.000 -0.651) 0.935 7.543 ( 0.926 -0.000 0.565) 1.085 7.866 ( -0.178 0.000 0.040) 0.183 7.872 ( 0.117 -0.000 -0.042) 0.124 16.322 ( -0.245 0.000 -1.005) 1.035 16.331 ( 0.347 -0.000 0.628) 0.717 17.125 ( -1.425 0.000 0.265) 1.450 17.156 ( 0.375 -0.000 -0.169) 0.411 17.812 ( -0.893 0.000 -0.752) 1.167 17.821 ( -0.417 0.000 0.621) 0.748 18.742 ( -2.575 0.000 -1.710) 3.091 18.818 ( 1.910 -0.000 2.290) 2.982 19.092 ( -3.601 0.000 -2.134) 4.186 19.181 ( 2.076 -0.000 2.597) 3.325 19.692 ( -3.403 0.000 -1.895) 3.896 19.829 ( 4.732 -0.000 1.625) 5.003 ======================= Grid point 179 (89/93) ======================= q-point: (-0.25 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( -5.741 -2.357 1.775) 6.455 0.670 ( -1.770 1.944 1.859) 3.219 0.705 ( -0.263 -0.309 4.496) 4.514 0.754 ( 1.789 0.148 -0.442) 1.849 0.856 ( -2.159 -1.188 -4.840) 5.432 0.933 ( -1.880 0.326 2.390) 3.058 0.979 ( -4.277 0.716 -4.390) 6.170 0.998 ( -1.941 -0.324 -2.479) 3.165 1.063 ( -2.191 -0.403 -1.870) 2.908 1.085 ( -0.000 -2.491 1.588) 2.954 1.215 ( -7.278 1.480 -3.967) 8.420 1.266 ( -0.961 1.226 -2.173) 2.674 1.278 ( -0.988 1.455 -1.537) 2.335 1.388 ( -0.074 -2.532 -1.890) 3.161 1.468 ( -0.826 2.024 1.013) 2.409 1.566 ( 5.127 -1.118 0.108) 5.249 1.621 ( 1.606 1.350 2.525) 3.283 1.818 ( 1.926 -1.743 4.754) 5.417 1.857 ( -3.153 -1.544 -7.521) 8.300 1.911 ( -1.433 1.045 0.906) 1.992 1.970 ( 1.346 -0.322 0.152) 1.392 2.059 ( -4.369 0.113 -2.388) 4.981 2.217 ( -1.403 0.020 2.382) 2.765 2.604 ( 1.592 1.189 0.701) 2.108 2.656 ( 5.669 -0.780 4.343) 7.184 2.757 ( 3.936 0.572 5.711) 6.960 2.832 ( 3.202 -0.995 3.545) 4.880 2.979 ( 2.673 0.159 3.326) 4.270 3.268 ( -2.430 0.304 -3.485) 4.259 3.293 ( -1.285 0.262 -1.337) 1.873 3.510 ( -1.701 0.342 -3.594) 3.991 3.593 ( 0.004 0.517 3.659) 3.695 3.685 ( -0.242 0.546 -0.781) 0.983 3.733 ( 0.387 -0.622 1.490) 1.660 3.910 ( -1.407 -0.112 0.950) 1.701 4.009 ( 2.598 -0.510 -0.827) 2.774 4.356 ( -2.892 -0.257 1.079) 3.097 4.504 ( 0.564 0.696 -1.056) 1.385 4.621 ( -3.137 0.449 -4.806) 5.757 4.823 ( 1.386 0.182 1.650) 2.163 5.087 ( -2.216 -0.376 -3.666) 4.300 5.353 ( 3.900 0.053 3.671) 5.356 5.764 ( -1.389 0.311 -1.637) 2.169 5.903 ( 2.094 0.146 1.607) 2.644 6.491 ( 0.563 -0.360 0.087) 0.674 6.532 ( 1.985 -0.008 1.087) 2.263 6.736 ( -2.999 0.208 -3.030) 4.268 6.869 ( 0.863 0.149 1.353) 1.612 7.265 ( -0.740 0.154 0.132) 0.767 7.293 ( 0.349 0.316 0.585) 0.750 7.506 ( -0.420 0.180 -0.363) 0.583 7.550 ( 0.745 0.194 0.369) 0.854 7.864 ( -0.139 0.153 0.045) 0.212 7.870 ( 0.063 0.240 -0.052) 0.253 16.321 ( -0.210 -0.551 -0.608) 0.847 16.341 ( 0.308 -0.466 0.556) 0.788 17.098 ( -1.427 1.757 0.452) 2.308 17.140 ( 0.160 1.829 -0.310) 1.862 17.801 ( -0.915 -0.017 -0.656) 1.126 17.817 ( -0.920 0.042 0.322) 0.975 18.712 ( -2.037 0.397 -1.014) 2.310 18.834 ( 1.625 0.941 1.949) 2.706 19.046 ( -3.815 0.536 -1.988) 4.335 19.190 ( 1.008 1.662 1.803) 2.651 19.667 ( -2.233 -0.783 -1.008) 2.572 19.864 ( 4.032 0.875 0.622) 4.172 ======================= Grid point 180 (90/93) ======================= q-point: (-0.12 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( -4.911 -2.579 -0.304) 5.555 0.585 ( -3.741 3.549 -2.697) 5.819 0.682 ( -3.599 1.350 -2.136) 4.397 0.781 ( -4.958 -3.234 4.728) 7.576 0.849 ( 0.764 1.594 -2.748) 3.268 0.933 ( 2.467 -0.247 -0.223) 2.490 0.966 ( -1.577 -2.959 2.629) 4.261 0.981 ( -0.997 -0.672 -3.162) 3.383 1.059 ( 1.209 -0.422 -0.100) 1.285 1.117 ( 0.585 1.932 -0.294) 2.040 1.136 ( -4.735 -1.790 -0.657) 5.104 1.234 ( -1.293 -0.017 -1.482) 1.967 1.250 ( -0.945 0.642 0.585) 1.284 1.409 ( -1.840 -0.691 0.996) 2.203 1.449 ( 0.480 -0.896 -2.013) 2.255 1.578 ( 2.705 1.532 -2.838) 4.209 1.639 ( 3.903 2.197 3.970) 5.985 1.855 ( 0.343 -1.201 -2.954) 3.207 1.866 ( -0.394 0.647 1.371) 1.566 1.880 ( -1.362 -0.142 0.966) 1.676 1.974 ( -0.933 -0.019 -1.466) 1.737 2.031 ( -1.062 -0.832 -0.274) 1.376 2.222 ( -1.884 -1.350 1.694) 2.871 2.596 ( 0.959 0.836 0.158) 1.282 2.700 ( 0.806 -0.120 1.241) 1.484 2.773 ( 0.650 -0.207 -0.169) 0.703 2.942 ( 8.175 0.163 8.289) 11.643 3.007 ( 1.553 0.188 2.243) 2.734 3.216 ( -3.597 0.366 -4.653) 5.892 3.269 ( -1.383 0.349 -1.489) 2.062 3.479 ( -0.657 0.634 -1.485) 1.743 3.589 ( -0.580 0.960 1.950) 2.250 3.676 ( 0.302 0.424 0.293) 0.598 3.761 ( 0.686 -0.961 1.572) 1.966 3.909 ( -0.795 -0.244 1.122) 1.397 4.032 ( 1.958 -0.160 -0.540) 2.037 4.350 ( -1.758 -0.548 1.318) 2.265 4.482 ( -0.459 0.875 -1.382) 1.699 4.572 ( -1.367 0.820 -2.864) 3.278 4.832 ( 0.489 0.182 0.627) 0.816 5.071 ( -0.467 -0.332 -1.731) 1.823 5.389 ( 2.082 0.097 1.657) 2.662 5.742 ( -0.649 0.514 -0.802) 1.153 5.919 ( 1.097 0.182 0.612) 1.270 6.505 ( 0.633 -0.444 0.179) 0.794 6.552 ( 1.641 0.161 1.010) 1.934 6.697 ( -2.125 0.218 -2.054) 2.963 6.874 ( 0.284 0.183 0.535) 0.633 7.258 ( -0.531 0.168 0.289) 0.627 7.290 ( 0.258 0.522 0.474) 0.751 7.499 ( -0.113 0.271 -0.082) 0.305 7.552 ( 0.417 0.306 0.133) 0.534 7.860 ( -0.060 0.200 0.025) 0.210 7.865 ( -0.001 0.352 -0.033) 0.353 16.332 ( 0.070 -0.788 -0.044) 0.792 16.355 ( 0.207 -0.598 0.407) 0.752 17.051 ( -1.170 2.384 0.662) 2.737 17.098 ( 0.090 2.614 -0.546) 2.672 17.792 ( -0.685 -0.079 -0.515) 0.861 17.811 ( -1.107 -0.262 0.249) 1.165 18.690 ( -1.098 0.222 -0.248) 1.147 18.829 ( 1.081 1.690 0.964) 2.226 18.999 ( -3.054 0.386 -1.230) 3.315 19.164 ( -0.891 1.487 0.852) 1.932 19.675 ( -0.703 -1.569 0.200) 1.731 19.866 ( 2.499 1.985 -0.479) 3.227 ======================= Grid point 187 (91/93) ======================= q-point: (-0.25 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.368 ( -6.319 0.000 5.966) 8.690 0.618 ( -17.036 0.000 -3.297) 17.352 0.701 ( -6.443 0.000 6.889) 9.432 0.740 ( 3.865 -0.000 0.827) 3.952 0.874 ( 5.851 -0.000 -0.633) 5.885 0.934 ( -2.811 0.000 -3.874) 4.786 0.952 ( -0.573 0.000 -0.596) 0.827 0.962 ( -0.682 0.000 -0.694) 0.973 1.028 ( -3.243 0.000 1.150) 3.441 1.062 ( 2.320 -0.000 -1.583) 2.809 1.165 ( -4.986 0.000 -0.636) 5.026 1.254 ( 0.520 -0.000 -5.367) 5.392 1.278 ( -2.409 0.000 0.849) 2.555 1.364 ( 1.846 -0.000 -1.932) 2.672 1.503 ( -0.857 0.000 0.876) 1.226 1.564 ( 2.458 -0.000 -2.531) 3.528 1.682 ( 3.763 -0.000 5.872) 6.974 1.774 ( -1.280 0.000 -6.226) 6.356 1.836 ( 0.734 -0.000 3.772) 3.843 1.930 ( -0.012 0.000 1.467) 1.467 1.972 ( -1.099 0.000 -0.695) 1.300 2.023 ( -2.599 0.000 -0.058) 2.600 2.216 ( -1.615 0.000 1.491) 2.198 2.619 ( 0.771 -0.000 -0.199) 0.796 2.693 ( 1.905 -0.000 1.822) 2.636 2.759 ( -1.599 0.000 -1.875) 2.464 2.946 ( 10.074 -0.000 10.681) 14.682 3.013 ( 1.829 -0.000 1.887) 2.628 3.223 ( -3.849 0.000 -5.231) 6.494 3.276 ( -1.512 0.000 -1.740) 2.305 3.492 ( -0.260 0.000 -1.535) 1.557 3.626 ( 1.007 -0.000 4.449) 4.562 3.685 ( 0.043 -0.000 -0.075) 0.087 3.722 ( -1.527 0.000 0.617) 1.646 3.909 ( -0.609 0.000 2.237) 2.319 4.026 ( 3.227 -0.000 -0.323) 3.243 4.339 ( -2.243 0.000 2.034) 3.028 4.500 ( -0.896 0.000 -2.053) 2.240 4.588 ( -0.993 0.000 -3.151) 3.304 4.835 ( 0.264 -0.000 0.466) 0.535 5.062 ( 0.007 -0.000 -1.701) 1.701 5.393 ( 2.267 -0.000 1.667) 2.814 5.753 ( -0.542 0.000 -0.752) 0.927 5.923 ( 1.190 -0.000 0.447) 1.271 6.495 ( 0.842 -0.000 0.250) 0.879 6.555 ( 2.133 -0.000 1.137) 2.417 6.702 ( -2.380 0.000 -2.177) 3.225 6.878 ( 0.091 -0.000 0.562) 0.569 7.262 ( -0.670 0.000 0.468) 0.817 7.303 ( 0.697 -0.000 0.798) 1.059 7.505 ( -0.076 0.000 0.072) 0.105 7.559 ( 0.532 -0.000 0.103) 0.542 7.864 ( -0.120 0.000 0.087) 0.148 7.872 ( 0.040 -0.000 -0.100) 0.108 16.314 ( 0.221 -0.000 0.106) 0.245 16.342 ( 0.285 -0.000 0.605) 0.669 17.105 ( -1.383 0.000 0.582) 1.501 17.156 ( -0.131 0.000 -0.419) 0.439 17.790 ( -0.891 0.000 -0.599) 1.074 17.809 ( -1.461 0.000 -0.116) 1.466 18.698 ( -1.503 0.000 -0.221) 1.520 18.863 ( 1.229 -0.000 1.354) 1.828 19.009 ( -3.983 0.000 -1.561) 4.278 19.221 ( 0.441 -0.000 -0.510) 0.674 19.644 ( -0.945 0.000 0.469) 1.055 19.904 ( 3.379 -0.000 -0.628) 3.437 ======================= Grid point 188 (92/93) ======================= q-point: (-0.12 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.355 ( -5.923 -1.022 5.716) 8.295 0.463 ( -16.864 -2.686 -3.800) 17.494 0.708 ( -0.763 2.058 1.195) 2.499 0.759 ( -2.253 -0.948 7.511) 7.899 0.876 ( 0.701 0.704 1.325) 1.656 0.910 ( -0.762 -1.098 -0.111) 1.341 0.949 ( 0.626 0.805 -1.195) 1.571 0.978 ( 1.618 -0.336 -0.300) 1.679 1.030 ( 1.711 -1.338 -0.676) 2.275 1.086 ( 0.501 -0.837 -0.601) 1.146 1.149 ( 0.530 -0.248 1.871) 1.960 1.235 ( 0.161 0.286 -3.078) 3.096 1.258 ( -1.519 0.620 1.777) 2.419 1.385 ( 1.497 -1.313 -2.246) 3.001 1.452 ( -1.033 2.360 0.665) 2.660 1.590 ( 1.133 -0.811 -3.596) 3.856 1.728 ( 4.175 1.249 4.709) 6.416 1.797 ( 2.676 -3.264 -2.286) 4.800 1.850 ( -1.998 -0.628 0.148) 2.100 1.910 ( -1.881 1.939 0.445) 2.737 1.941 ( -3.568 -0.116 -1.548) 3.891 2.028 ( 0.932 -0.493 2.098) 2.348 2.199 ( -2.225 0.289 0.663) 2.340 2.622 ( 1.210 0.620 0.593) 1.483 2.701 ( -1.125 -0.106 0.066) 1.132 2.755 ( 0.317 -0.883 -1.800) 2.030 3.005 ( -1.549 0.718 -2.919) 3.382 3.021 ( -0.906 0.155 -0.815) 1.229 3.192 ( 1.743 0.091 1.294) 2.173 3.259 ( -0.513 0.145 -0.678) 0.862 3.493 ( 1.747 0.548 1.171) 2.173 3.619 ( -0.681 1.785 1.708) 2.563 3.691 ( 0.689 0.526 1.114) 1.412 3.741 ( 0.348 -1.898 1.037) 2.191 3.918 ( 0.246 0.399 3.288) 3.322 4.051 ( 2.765 0.180 -0.065) 2.772 4.337 ( -1.543 -0.301 2.501) 2.954 4.477 ( -1.080 0.336 -2.428) 2.678 4.577 ( 1.457 0.523 -0.256) 1.569 4.834 ( -0.488 0.039 -0.467) 0.677 5.067 ( 1.567 -0.148 0.166) 1.583 5.403 ( 0.160 0.132 -0.602) 0.636 5.747 ( 0.248 0.376 0.175) 0.484 5.927 ( 0.205 0.175 -0.669) 0.721 6.506 ( 0.814 -0.248 0.336) 0.915 6.571 ( 0.978 0.259 0.044) 1.012 6.683 ( -0.320 0.072 0.005) 0.328 6.876 ( -0.541 0.060 -0.274) 0.609 7.259 ( -0.402 0.147 0.752) 0.865 7.307 ( 0.697 0.689 0.472) 1.088 7.505 ( 0.205 0.244 0.390) 0.504 7.559 ( 0.209 0.239 -0.181) 0.366 7.863 ( -0.065 0.142 0.099) 0.185 7.870 ( 0.003 0.241 -0.111) 0.266 16.326 ( 0.991 -0.364 0.739) 1.289 16.350 ( 0.187 -0.371 0.574) 0.708 17.083 ( -1.099 1.637 0.798) 2.127 17.135 ( -0.246 1.763 -0.671) 1.902 17.782 ( -0.652 -0.129 -0.501) 0.833 17.796 ( -1.706 -0.230 -0.021) 1.722 18.687 ( -0.610 0.217 0.610) 0.890 18.863 ( 0.138 1.110 -0.382) 1.182 18.975 ( -2.617 0.004 -0.091) 2.619 19.182 ( -2.632 1.968 -1.716) 3.708 19.657 ( 0.572 -0.790 2.063) 2.282 19.910 ( 1.985 1.233 -2.017) 3.087 ======================= Grid point 196 (93/93) ======================= q-point: (-0.12 -0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( -9.017 0.000 6.084) 10.878 0.351 ( -4.382 0.000 9.912) 10.837 0.697 ( -4.732 0.000 7.269) 8.673 0.778 ( -1.317 0.000 -1.894) 2.307 0.869 ( -3.107 0.000 2.279) 3.853 0.908 ( 2.296 -0.000 -1.508) 2.747 0.973 ( 0.166 -0.000 -1.231) 1.243 0.978 ( 2.553 -0.000 2.658) 3.685 1.057 ( 4.377 -0.000 1.228) 4.546 1.107 ( 4.652 -0.000 0.090) 4.653 1.153 ( 0.272 -0.000 3.772) 3.781 1.219 ( -0.319 0.000 -2.649) 2.668 1.257 ( -1.643 0.000 1.860) 2.482 1.376 ( 3.084 -0.000 -4.090) 5.123 1.476 ( -2.715 0.000 -0.620) 2.785 1.546 ( -1.331 0.000 -3.185) 3.452 1.792 ( 2.299 -0.000 0.656) 2.391 1.805 ( 7.805 -0.000 6.617) 10.232 1.823 ( -2.449 0.000 -1.625) 2.940 1.901 ( -3.625 0.000 -0.831) 3.719 1.906 ( -3.521 0.000 -0.725) 3.595 2.044 ( 1.282 -0.000 2.913) 3.183 2.186 ( -2.299 0.000 -0.911) 2.473 2.638 ( 0.779 -0.000 0.544) 0.950 2.678 ( -2.351 0.000 -1.855) 2.995 2.739 ( -1.084 0.000 -3.597) 3.757 2.921 ( -8.551 0.000 -9.184) 12.549 2.997 ( -2.804 0.000 -3.547) 4.521 3.239 ( 3.817 -0.000 3.433) 5.134 3.261 ( 0.680 -0.000 0.438) 0.809 3.534 ( 3.832 -0.000 3.581) 5.245 3.635 ( -1.191 0.000 0.455) 1.275 3.692 ( -1.629 0.000 -0.205) 1.642 3.750 ( 3.498 -0.000 0.966) 3.629 3.955 ( 2.171 -0.000 5.033) 5.481 4.075 ( 2.317 -0.000 -0.183) 2.324 4.337 ( -1.279 0.000 3.197) 3.443 4.458 ( -0.872 0.000 -3.022) 3.145 4.609 ( 3.711 -0.000 2.497) 4.473 4.823 ( -1.088 0.000 -1.236) 1.647 5.091 ( 2.931 -0.000 2.016) 3.557 5.390 ( -1.731 0.000 -2.666) 3.179 5.759 ( 1.003 -0.000 1.073) 1.469 5.921 ( -0.713 0.000 -1.984) 2.109 6.512 ( 0.752 -0.000 0.479) 0.891 6.572 ( -0.337 0.000 -1.242) 1.287 6.697 ( 2.054 -0.000 2.155) 2.977 6.866 ( -1.258 0.000 -1.025) 1.623 7.263 ( -0.063 0.000 1.221) 1.223 7.324 ( 1.035 -0.000 -0.458) 1.132 7.513 ( 0.373 -0.000 0.699) 0.792 7.561 ( -0.063 0.000 -0.498) 0.502 7.864 ( -0.041 0.000 0.149) 0.154 7.871 ( -0.008 0.000 -0.159) 0.160 16.342 ( 2.317 -0.000 0.726) 2.428 16.351 ( 0.079 -0.000 0.720) 0.725 17.095 ( -0.721 0.000 1.021) 1.250 17.145 ( -0.412 0.000 -0.863) 0.957 17.774 ( -0.398 0.000 -0.432) 0.587 17.778 ( -1.730 0.000 0.030) 1.730 18.693 ( 0.226 -0.000 1.503) 1.520 18.859 ( -1.828 0.000 -2.404) 3.020 18.965 ( -0.419 0.000 1.627) 1.680 19.156 ( -4.827 0.000 -4.098) 6.332 19.675 ( 1.736 -0.000 3.839) 4.213 19.919 ( 0.596 -0.000 -3.481) 3.531 =================== 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 3/21120 10.0 6.653 2.420 5.821 0.000 1.572 -0.000 3/21120 20.0 2.468 0.933 2.273 0.000 0.639 -0.000 3/21120 30.0 1.629 0.579 1.550 0.000 0.521 -0.000 3/21120 40.0 1.269 0.423 1.236 0.000 0.475 -0.000 3/21120 50.0 1.056 0.334 1.046 0.000 0.438 -0.000 3/21120 60.0 0.911 0.277 0.912 0.000 0.404 -0.000 3/21120 70.0 0.804 0.236 0.812 0.000 0.374 -0.000 3/21120 80.0 0.721 0.207 0.732 0.000 0.347 -0.000 3/21120 90.0 0.654 0.184 0.667 0.000 0.323 -0.000 3/21120 100.0 0.599 0.165 0.613 0.000 0.302 -0.000 3/21120 110.0 0.552 0.150 0.567 0.000 0.284 -0.000 3/21120 120.0 0.512 0.138 0.528 0.000 0.267 -0.000 3/21120 130.0 0.478 0.127 0.494 0.000 0.252 -0.000 3/21120 140.0 0.448 0.118 0.463 0.000 0.238 -0.000 3/21120 150.0 0.422 0.111 0.437 0.000 0.226 -0.000 3/21120 160.0 0.398 0.104 0.413 0.000 0.215 -0.000 3/21120 170.0 0.377 0.098 0.392 0.000 0.205 -0.000 3/21120 180.0 0.358 0.092 0.372 0.000 0.196 -0.000 3/21120 190.0 0.341 0.087 0.355 0.000 0.188 -0.000 3/21120 200.0 0.326 0.083 0.339 0.000 0.180 -0.000 3/21120 210.0 0.311 0.079 0.325 0.000 0.173 -0.000 3/21120 220.0 0.299 0.076 0.311 0.000 0.166 -0.000 3/21120 230.0 0.287 0.072 0.299 0.000 0.160 -0.000 3/21120 240.0 0.276 0.069 0.288 0.000 0.154 -0.000 3/21120 250.0 0.265 0.067 0.277 0.000 0.149 -0.000 3/21120 260.0 0.256 0.064 0.268 0.000 0.144 -0.000 3/21120 270.0 0.247 0.062 0.259 0.000 0.140 -0.000 3/21120 280.0 0.239 0.060 0.250 0.000 0.135 -0.000 3/21120 290.0 0.231 0.058 0.242 0.000 0.131 -0.000 3/21120 300.0 0.224 0.056 0.235 0.000 0.127 -0.000 3/21120 310.0 0.217 0.054 0.228 0.000 0.124 -0.000 3/21120 320.0 0.211 0.052 0.221 0.000 0.120 -0.000 3/21120 330.0 0.205 0.051 0.215 0.000 0.117 -0.000 3/21120 340.0 0.199 0.049 0.209 0.000 0.114 -0.000 3/21120 350.0 0.194 0.048 0.203 0.000 0.111 -0.000 3/21120 360.0 0.189 0.047 0.198 0.000 0.108 -0.000 3/21120 370.0 0.184 0.045 0.193 0.000 0.106 -0.000 3/21120 380.0 0.180 0.044 0.188 0.000 0.103 -0.000 3/21120 390.0 0.175 0.043 0.184 0.000 0.101 -0.000 3/21120 400.0 0.171 0.042 0.180 0.000 0.099 -0.000 3/21120 410.0 0.167 0.041 0.175 0.000 0.096 -0.000 3/21120 420.0 0.163 0.040 0.172 0.000 0.094 -0.000 3/21120 430.0 0.160 0.039 0.168 0.000 0.092 -0.000 3/21120 440.0 0.156 0.038 0.164 0.000 0.090 -0.000 3/21120 450.0 0.153 0.037 0.161 0.000 0.089 -0.000 3/21120 460.0 0.150 0.037 0.158 0.000 0.087 -0.000 3/21120 470.0 0.147 0.036 0.154 0.000 0.085 -0.000 3/21120 480.0 0.144 0.035 0.151 0.000 0.084 -0.000 3/21120 490.0 0.141 0.034 0.148 0.000 0.082 -0.000 3/21120 500.0 0.139 0.034 0.146 0.000 0.081 -0.000 3/21120 510.0 0.136 0.033 0.143 0.000 0.079 -0.000 3/21120 520.0 0.133 0.032 0.140 0.000 0.078 -0.000 3/21120 530.0 0.131 0.032 0.138 0.000 0.076 -0.000 3/21120 540.0 0.129 0.031 0.135 0.000 0.075 -0.000 3/21120 550.0 0.126 0.031 0.133 0.000 0.074 -0.000 3/21120 560.0 0.124 0.030 0.131 0.000 0.073 -0.000 3/21120 570.0 0.122 0.030 0.129 0.000 0.071 -0.000 3/21120 580.0 0.120 0.029 0.127 0.000 0.070 -0.000 3/21120 590.0 0.118 0.029 0.124 0.000 0.069 -0.000 3/21120 600.0 0.116 0.028 0.122 0.000 0.068 -0.000 3/21120 610.0 0.115 0.028 0.121 0.000 0.067 -0.000 3/21120 620.0 0.113 0.027 0.119 0.000 0.066 -0.000 3/21120 630.0 0.111 0.027 0.117 0.000 0.065 -0.000 3/21120 640.0 0.109 0.026 0.115 0.000 0.064 -0.000 3/21120 650.0 0.108 0.026 0.114 0.000 0.063 -0.000 3/21120 660.0 0.106 0.026 0.112 0.000 0.062 -0.000 3/21120 670.0 0.105 0.025 0.110 0.000 0.062 -0.000 3/21120 680.0 0.103 0.025 0.109 0.000 0.061 -0.000 3/21120 690.0 0.102 0.024 0.107 0.000 0.060 -0.000 3/21120 700.0 0.100 0.024 0.106 0.000 0.059 -0.000 3/21120 710.0 0.099 0.024 0.104 0.000 0.058 -0.000 3/21120 720.0 0.098 0.023 0.103 0.000 0.058 -0.000 3/21120 730.0 0.096 0.023 0.102 0.000 0.057 -0.000 3/21120 740.0 0.095 0.023 0.100 0.000 0.056 -0.000 3/21120 750.0 0.094 0.023 0.099 0.000 0.055 -0.000 3/21120 760.0 0.093 0.022 0.098 0.000 0.055 -0.000 3/21120 770.0 0.092 0.022 0.097 0.000 0.054 -0.000 3/21120 780.0 0.090 0.022 0.095 0.000 0.053 -0.000 3/21120 790.0 0.089 0.021 0.094 0.000 0.053 -0.000 3/21120 800.0 0.088 0.021 0.093 0.000 0.052 -0.000 3/21120 810.0 0.087 0.021 0.092 0.000 0.052 -0.000 3/21120 820.0 0.086 0.021 0.091 0.000 0.051 -0.000 3/21120 830.0 0.085 0.020 0.090 0.000 0.050 -0.000 3/21120 840.0 0.084 0.020 0.089 0.000 0.050 -0.000 3/21120 850.0 0.083 0.020 0.088 0.000 0.049 -0.000 3/21120 860.0 0.082 0.020 0.087 0.000 0.049 -0.000 3/21120 870.0 0.081 0.019 0.086 0.000 0.048 -0.000 3/21120 880.0 0.081 0.019 0.085 0.000 0.048 -0.000 3/21120 890.0 0.080 0.019 0.084 0.000 0.047 -0.000 3/21120 900.0 0.079 0.019 0.083 0.000 0.047 -0.000 3/21120 910.0 0.078 0.019 0.082 0.000 0.046 -0.000 3/21120 920.0 0.077 0.018 0.081 0.000 0.046 -0.000 3/21120 930.0 0.076 0.018 0.081 0.000 0.045 -0.000 3/21120 940.0 0.076 0.018 0.080 0.000 0.045 -0.000 3/21120 950.0 0.075 0.018 0.079 0.000 0.044 -0.000 3/21120 960.0 0.074 0.018 0.078 0.000 0.044 -0.000 3/21120 970.0 0.073 0.017 0.077 0.000 0.043 -0.000 3/21120 980.0 0.073 0.017 0.077 0.000 0.043 -0.000 3/21120 990.0 0.072 0.017 0.076 0.000 0.043 -0.000 3/21120 1000.0 0.071 0.017 0.075 0.000 0.042 -0.000 3/21120 Thermal conductivity related properties were written into "kappa-m885.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:58:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|