----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:17:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.527823919999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.176796669999998 0.000000000000000 c 0.000000000000000 0.000000000000000 6.231194669999998 Atomic positions (fractional): *1 F 0.54589430091884 0.17186225854719 0.93903842155321 18.998 2 F 0.95410569908116 0.82813774145281 0.93903842155321 18.998 3 F 0.95410569908116 0.67186225854719 0.56096157844679 18.998 4 F 0.54589430091884 0.32813774145281 0.56096157844679 18.998 5 F 0.45410569908116 0.82813774145281 0.06096157844679 18.998 6 F 0.04589430091884 0.17186225854719 0.06096157844679 18.998 7 F 0.04589430091884 0.32813774145281 0.43903842155321 18.998 8 F 0.45410569908116 0.67186225854719 0.43903842155321 18.998 *9 F 0.09248252698515 0.75000000000000 0.25000000000000 18.998 10 F 0.40751747301485 0.25000000000000 0.25000000000000 18.998 11 F 0.90751747301485 0.25000000000000 0.75000000000000 18.998 12 F 0.59248252698515 0.75000000000000 0.75000000000000 18.998 *13 F 0.23895286478668 0.81801293759802 0.92050695227380 18.998 14 F 0.26104713521332 0.18198706240198 0.92050695227380 18.998 15 F 0.26104713521332 0.31801293759802 0.57949304772620 18.998 16 F 0.23895286478668 0.68198706240198 0.57949304772620 18.998 17 F 0.76104713521332 0.18198706240198 0.07949304772620 18.998 18 F 0.73895286478668 0.81801293759802 0.07949304772620 18.998 19 F 0.73895286478668 0.68198706240198 0.42050695227380 18.998 20 F 0.76104713521332 0.31801293759802 0.42050695227380 18.998 *21 F 0.11114059677435 0.05792958285107 0.61746987228074 18.998 22 F 0.38885940322565 0.94207041714893 0.61746987228074 18.998 23 F 0.38885940322565 0.55792958285107 0.88253012771926 18.998 24 F 0.11114059677435 0.44207041714893 0.88253012771926 18.998 25 F 0.88885940322565 0.94207041714893 0.38253012771926 18.998 26 F 0.61114059677435 0.05792958285107 0.38253012771926 18.998 27 F 0.61114059677435 0.44207041714893 0.11746987228074 18.998 28 F 0.88885940322565 0.55792958285107 0.11746987228074 18.998 *29 K 0.25000000000000 0.00000000000000 0.26973761849296 39.098 30 K 0.25000000000000 0.50000000000000 0.23026238150704 39.098 31 K 0.75000000000000 0.00000000000000 0.73026238150704 39.098 32 K 0.75000000000000 0.50000000000000 0.76973761849296 39.098 *33 Pd 0.59213848778575 0.75000000000000 0.25000000000000 106.420 34 Pd 0.90786151221425 0.25000000000000 0.25000000000000 106.420 35 Pd 0.40786151221425 0.25000000000000 0.75000000000000 106.420 36 Pd 0.09213848778575 0.75000000000000 0.75000000000000 106.420 *37 Hf 0.40708763707522 0.75000000000000 0.75000000000000 178.490 38 Hf 0.09291236292478 0.25000000000000 0.75000000000000 178.490 39 Hf 0.59291236292478 0.25000000000000 0.25000000000000 178.490 40 Hf 0.90708763707522 0.75000000000000 0.25000000000000 178.490 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.527823919999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.176796669999998 0.000000000000000 c 0.000000000000000 0.000000000000000 6.231194669999998 Atomic positions (fractional): *1 F 0.54589430091884 0.17186225854719 0.93903842155321 18.998 > 1 2 F 0.95410569908116 0.82813774145281 0.93903842155321 18.998 > 2 3 F 0.95410569908116 0.67186225854719 0.56096157844679 18.998 > 3 4 F 0.54589430091884 0.32813774145281 0.56096157844679 18.998 > 4 5 F 0.45410569908116 0.82813774145281 0.06096157844679 18.998 > 5 6 F 0.04589430091884 0.17186225854719 0.06096157844679 18.998 > 6 7 F 0.04589430091884 0.32813774145281 0.43903842155321 18.998 > 7 8 F 0.45410569908116 0.67186225854719 0.43903842155321 18.998 > 8 *9 F 0.09248252698515 0.75000000000000 0.25000000000000 18.998 > 9 10 F 0.40751747301485 0.25000000000000 0.25000000000000 18.998 > 10 11 F 0.90751747301485 0.25000000000000 0.75000000000000 18.998 > 11 12 F 0.59248252698515 0.75000000000000 0.75000000000000 18.998 > 12 *13 F 0.23895286478668 0.81801293759802 0.92050695227380 18.998 > 13 14 F 0.26104713521332 0.18198706240198 0.92050695227380 18.998 > 14 15 F 0.26104713521332 0.31801293759802 0.57949304772620 18.998 > 15 16 F 0.23895286478668 0.68198706240198 0.57949304772620 18.998 > 16 17 F 0.76104713521332 0.18198706240198 0.07949304772620 18.998 > 17 18 F 0.73895286478668 0.81801293759802 0.07949304772620 18.998 > 18 19 F 0.73895286478668 0.68198706240198 0.42050695227380 18.998 > 19 20 F 0.76104713521332 0.31801293759802 0.42050695227380 18.998 > 20 *21 F 0.11114059677435 0.05792958285107 0.61746987228074 18.998 > 21 22 F 0.38885940322565 0.94207041714893 0.61746987228074 18.998 > 22 23 F 0.38885940322565 0.55792958285107 0.88253012771926 18.998 > 23 24 F 0.11114059677435 0.44207041714893 0.88253012771926 18.998 > 24 25 F 0.88885940322565 0.94207041714893 0.38253012771926 18.998 > 25 26 F 0.61114059677435 0.05792958285107 0.38253012771926 18.998 > 26 27 F 0.61114059677435 0.44207041714893 0.11746987228074 18.998 > 27 28 F 0.88885940322565 0.55792958285107 0.11746987228074 18.998 > 28 *29 K 0.25000000000000 0.00000000000000 0.26973761849296 39.098 > 29 30 K 0.25000000000000 0.50000000000000 0.23026238150704 39.098 > 30 31 K 0.75000000000000 0.00000000000000 0.73026238150704 39.098 > 31 32 K 0.75000000000000 0.50000000000000 0.76973761849296 39.098 > 32 *33 Pd 0.59213848778575 0.75000000000000 0.25000000000000 106.420 > 33 34 Pd 0.90786151221425 0.25000000000000 0.25000000000000 106.420 > 34 35 Pd 0.40786151221425 0.25000000000000 0.75000000000000 106.420 > 35 36 Pd 0.09213848778575 0.75000000000000 0.75000000000000 106.420 > 36 *37 Hf 0.40708763707522 0.75000000000000 0.75000000000000 178.490 > 37 38 Hf 0.09291236292478 0.25000000000000 0.75000000000000 178.490 > 38 39 Hf 0.59291236292478 0.25000000000000 0.25000000000000 178.490 > 39 40 Hf 0.90708763707522 0.75000000000000 0.25000000000000 178.490 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.527823919999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.176796669999998 0.000000000000000 c 0.000000000000000 0.000000000000000 12.462389339999996 Atomic positions (fractional): *1 F 0.54589430091884 0.17186225854719 0.46951921077661 18.998 > 1 2 F 0.54589430091884 0.17186225854719 0.96951921077661 18.998 > 1 3 F 0.95410569908116 0.82813774145281 0.46951921077661 18.998 > 2 4 F 0.95410569908116 0.82813774145281 0.96951921077661 18.998 > 2 5 F 0.95410569908116 0.67186225854719 0.28048078922339 18.998 > 3 6 F 0.95410569908116 0.67186225854719 0.78048078922339 18.998 > 3 7 F 0.54589430091884 0.32813774145281 0.28048078922339 18.998 > 4 8 F 0.54589430091884 0.32813774145281 0.78048078922339 18.998 > 4 9 F 0.45410569908116 0.82813774145281 0.03048078922339 18.998 > 5 10 F 0.45410569908116 0.82813774145281 0.53048078922339 18.998 > 5 11 F 0.04589430091884 0.17186225854719 0.03048078922339 18.998 > 6 12 F 0.04589430091884 0.17186225854719 0.53048078922339 18.998 > 6 13 F 0.04589430091884 0.32813774145281 0.21951921077661 18.998 > 7 14 F 0.04589430091884 0.32813774145281 0.71951921077661 18.998 > 7 15 F 0.45410569908116 0.67186225854719 0.21951921077661 18.998 > 8 16 F 0.45410569908116 0.67186225854719 0.71951921077661 18.998 > 8 *17 F 0.09248252698515 0.75000000000000 0.12500000000000 18.998 > 9 18 F 0.09248252698515 0.75000000000000 0.62500000000000 18.998 > 9 19 F 0.40751747301485 0.25000000000000 0.12500000000000 18.998 > 10 20 F 0.40751747301485 0.25000000000000 0.62500000000000 18.998 > 10 21 F 0.90751747301485 0.25000000000000 0.37500000000000 18.998 > 11 22 F 0.90751747301485 0.25000000000000 0.87500000000000 18.998 > 11 23 F 0.59248252698515 0.75000000000000 0.37500000000000 18.998 > 12 24 F 0.59248252698515 0.75000000000000 0.87500000000000 18.998 > 12 *25 F 0.23895286478668 0.81801293759802 0.46025347613690 18.998 > 13 26 F 0.23895286478668 0.81801293759802 0.96025347613690 18.998 > 13 27 F 0.26104713521332 0.18198706240198 0.46025347613690 18.998 > 14 28 F 0.26104713521332 0.18198706240198 0.96025347613690 18.998 > 14 29 F 0.26104713521332 0.31801293759802 0.28974652386310 18.998 > 15 30 F 0.26104713521332 0.31801293759802 0.78974652386310 18.998 > 15 31 F 0.23895286478668 0.68198706240198 0.28974652386310 18.998 > 16 32 F 0.23895286478668 0.68198706240198 0.78974652386310 18.998 > 16 33 F 0.76104713521332 0.18198706240198 0.03974652386310 18.998 > 17 34 F 0.76104713521332 0.18198706240198 0.53974652386310 18.998 > 17 35 F 0.73895286478668 0.81801293759802 0.03974652386310 18.998 > 18 36 F 0.73895286478668 0.81801293759802 0.53974652386310 18.998 > 18 37 F 0.73895286478668 0.68198706240198 0.21025347613690 18.998 > 19 38 F 0.73895286478668 0.68198706240198 0.71025347613690 18.998 > 19 39 F 0.76104713521332 0.31801293759802 0.21025347613690 18.998 > 20 40 F 0.76104713521332 0.31801293759802 0.71025347613690 18.998 > 20 *41 F 0.11114059677435 0.05792958285107 0.30873493614037 18.998 > 21 42 F 0.11114059677435 0.05792958285107 0.80873493614037 18.998 > 21 43 F 0.38885940322565 0.94207041714893 0.30873493614037 18.998 > 22 44 F 0.38885940322565 0.94207041714893 0.80873493614037 18.998 > 22 45 F 0.38885940322565 0.55792958285107 0.44126506385963 18.998 > 23 46 F 0.38885940322565 0.55792958285107 0.94126506385963 18.998 > 23 47 F 0.11114059677435 0.44207041714893 0.44126506385963 18.998 > 24 48 F 0.11114059677435 0.44207041714893 0.94126506385963 18.998 > 24 49 F 0.88885940322565 0.94207041714893 0.19126506385963 18.998 > 25 50 F 0.88885940322565 0.94207041714893 0.69126506385963 18.998 > 25 51 F 0.61114059677435 0.05792958285107 0.19126506385963 18.998 > 26 52 F 0.61114059677435 0.05792958285107 0.69126506385963 18.998 > 26 53 F 0.61114059677435 0.44207041714893 0.05873493614037 18.998 > 27 54 F 0.61114059677435 0.44207041714893 0.55873493614037 18.998 > 27 55 F 0.88885940322565 0.55792958285107 0.05873493614037 18.998 > 28 56 F 0.88885940322565 0.55792958285107 0.55873493614037 18.998 > 28 *57 K 0.25000000000000 0.00000000000000 0.13486880924648 39.098 > 29 58 K 0.25000000000000 0.00000000000000 0.63486880924648 39.098 > 29 59 K 0.25000000000000 0.50000000000000 0.11513119075352 39.098 > 30 60 K 0.25000000000000 0.50000000000000 0.61513119075352 39.098 > 30 61 K 0.75000000000000 0.00000000000000 0.36513119075352 39.098 > 31 62 K 0.75000000000000 0.00000000000000 0.86513119075352 39.098 > 31 63 K 0.75000000000000 0.50000000000000 0.38486880924648 39.098 > 32 64 K 0.75000000000000 0.50000000000000 0.88486880924648 39.098 > 32 *65 Pd 0.59213848778575 0.75000000000000 0.12500000000000 106.420 > 33 66 Pd 0.59213848778575 0.75000000000000 0.62500000000000 106.420 > 33 67 Pd 0.90786151221425 0.25000000000000 0.12500000000000 106.420 > 34 68 Pd 0.90786151221425 0.25000000000000 0.62500000000000 106.420 > 34 69 Pd 0.40786151221425 0.25000000000000 0.37500000000000 106.420 > 35 70 Pd 0.40786151221425 0.25000000000000 0.87500000000000 106.420 > 35 71 Pd 0.09213848778575 0.75000000000000 0.37500000000000 106.420 > 36 72 Pd 0.09213848778575 0.75000000000000 0.87500000000000 106.420 > 36 *73 Hf 0.40708763707522 0.75000000000000 0.37500000000000 178.490 > 37 74 Hf 0.40708763707522 0.75000000000000 0.87500000000000 178.490 > 37 75 Hf 0.09291236292478 0.25000000000000 0.37500000000000 178.490 > 38 76 Hf 0.09291236292478 0.25000000000000 0.87500000000000 178.490 > 38 77 Hf 0.59291236292478 0.25000000000000 0.12500000000000 178.490 > 39 78 Hf 0.59291236292478 0.25000000000000 0.62500000000000 178.490 > 39 79 Hf 0.90708763707522 0.75000000000000 0.12500000000000 178.490 > 40 80 Hf 0.90708763707522 0.75000000000000 0.62500000000000 178.490 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1338573 0.0000000 0.0000000 0.0000000 2.2976326 0.0000000 0.0000000 0.0000000 2.6700527 -------------------------- Born effective charges -------------------------- 1 F -1.1105054 0.1586017 -0.8990662 0.1194342 -0.5509200 -0.0328034 -0.7095250 -0.0871422 -1.6721427 2 F -1.1105054 0.1586017 0.8990662 0.1194342 -0.5509200 0.0328034 0.7095250 0.0871422 -1.6721427 3 F -1.1105054 -0.1586017 -0.8990662 -0.1194342 -0.5509200 0.0328034 -0.7095250 0.0871422 -1.6721427 4 F -1.1105054 -0.1586017 0.8990662 -0.1194342 -0.5509200 -0.0328034 0.7095250 -0.0871422 -1.6721427 5 F -1.1105054 0.1586017 -0.8990662 0.1194342 -0.5509200 -0.0328034 -0.7095250 -0.0871422 -1.6721427 6 F -1.1105054 0.1586017 0.8990662 0.1194342 -0.5509200 0.0328034 0.7095250 0.0871422 -1.6721427 7 F -1.1105054 -0.1586017 -0.8990662 -0.1194342 -0.5509200 0.0328034 -0.7095250 0.0871422 -1.6721427 8 F -1.1105054 -0.1586017 0.8990662 -0.1194342 -0.5509200 -0.0328034 0.7095250 -0.0871422 -1.6721427 9 F -1.7090339 0.0000000 0.0000000 0.0000000 -0.6400183 -0.0194455 0.0000000 -0.0047043 -0.8716719 10 F -1.7090339 0.0000000 0.0000000 0.0000000 -0.6400183 0.0194455 0.0000000 0.0047043 -0.8716719 11 F -1.7090339 0.0000000 0.0000000 0.0000000 -0.6400183 -0.0194455 0.0000000 -0.0047043 -0.8716719 12 F -1.7090339 0.0000000 0.0000000 0.0000000 -0.6400183 0.0194455 0.0000000 0.0047043 -0.8716719 13 F -1.7897090 -0.0475592 -0.0356535 -0.0649080 -0.5303314 -0.1434777 -0.1941422 -0.2030309 -0.7222024 14 F -1.7897090 -0.0475592 0.0356535 -0.0649080 -0.5303314 0.1434777 0.1941422 0.2030309 -0.7222024 15 F -1.7897090 0.0475592 -0.0356535 0.0649080 -0.5303314 0.1434777 -0.1941422 0.2030309 -0.7222024 16 F -1.7897090 0.0475592 0.0356535 0.0649080 -0.5303314 -0.1434777 0.1941422 -0.2030309 -0.7222024 17 F -1.7897090 -0.0475592 -0.0356535 -0.0649080 -0.5303314 -0.1434777 -0.1941422 -0.2030309 -0.7222024 18 F -1.7897090 -0.0475592 0.0356535 -0.0649080 -0.5303314 0.1434777 0.1941422 0.2030309 -0.7222024 19 F -1.7897090 0.0475592 -0.0356535 0.0649080 -0.5303314 0.1434777 -0.1941422 0.2030309 -0.7222024 20 F -1.7897090 0.0475592 0.0356535 0.0649080 -0.5303314 -0.1434777 0.1941422 -0.2030309 -0.7222024 21 F -0.7463196 0.0979121 0.0419573 0.1441620 -1.7736101 -0.4601863 0.0745584 -0.3599039 -0.9514766 22 F -0.7463196 0.0979121 -0.0419573 0.1441620 -1.7736101 0.4601863 -0.0745584 0.3599039 -0.9514766 23 F -0.7463196 -0.0979121 0.0419573 -0.1441620 -1.7736101 0.4601863 0.0745584 0.3599039 -0.9514766 24 F -0.7463196 -0.0979121 -0.0419573 -0.1441620 -1.7736101 -0.4601863 -0.0745584 -0.3599039 -0.9514766 25 F -0.7463196 0.0979121 0.0419573 0.1441620 -1.7736101 -0.4601863 0.0745584 -0.3599039 -0.9514766 26 F -0.7463196 0.0979121 -0.0419573 0.1441620 -1.7736101 0.4601863 -0.0745584 0.3599039 -0.9514766 27 F -0.7463196 -0.0979121 0.0419573 -0.1441620 -1.7736101 0.4601863 0.0745584 0.3599039 -0.9514766 28 F -0.7463196 -0.0979121 -0.0419573 -0.1441620 -1.7736101 -0.4601863 -0.0745584 -0.3599039 -0.9514766 29 K 1.2272912 0.1102876 0.0000000 -0.0322405 1.2435145 0.0000000 0.0000000 0.0000000 1.3717917 30 K 1.2272912 -0.1102876 0.0000000 0.0322405 1.2435145 0.0000000 0.0000000 0.0000000 1.3717917 31 K 1.2272912 0.1102876 0.0000000 -0.0322405 1.2435145 0.0000000 0.0000000 0.0000000 1.3717917 32 K 1.2272912 -0.1102876 0.0000000 0.0322405 1.2435145 0.0000000 0.0000000 0.0000000 1.3717917 33 Pd 2.6553585 0.0000000 0.0000000 0.0000000 1.0638822 -0.3226137 0.0000000 -0.5709220 1.7113002 34 Pd 2.6553585 0.0000000 0.0000000 0.0000000 1.0638822 0.3226137 0.0000000 0.5709220 1.7113002 35 Pd 2.6553585 0.0000000 0.0000000 0.0000000 1.0638822 -0.3226137 0.0000000 -0.5709220 1.7113002 36 Pd 2.6553585 0.0000000 0.0000000 0.0000000 1.0638822 0.3226137 0.0000000 0.5709220 1.7113002 37 Hf 5.1194522 0.0000000 0.0000000 0.0000000 4.0423444 -0.6382126 0.0000000 -0.0905822 4.4802233 38 Hf 5.1194522 0.0000000 0.0000000 0.0000000 4.0423444 0.6382126 0.0000000 0.0905822 4.4802233 39 Hf 5.1194522 0.0000000 0.0000000 0.0000000 4.0423444 -0.6382126 0.0000000 -0.0905822 4.4802233 40 Hf 5.1194522 0.0000000 0.0000000 0.0000000 4.0423444 0.6382126 0.0000000 0.0905822 4.4802233 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1901 Number of blocks in projector: 1901 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: 414 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 241 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 241 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 241 Use standard eigh solver. Tree of FC basis block matrices: - (1901, 1854), data: False |-- (241, 234), data: True |-- (241, 234), data: True |-- (241, 234), data: True |-- (378, 372), data: True |-- (386, 378), data: True |-- (414, 402), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.244 Solver_block: 200 / 640 - Time: 2.248 Solver_block: 300 / 640 - Time: 2.235 Solver_block: 400 / 640 - Time: 2.226 Solver_block: 500 / 640 - Time: 2.241 Solver_block: 600 / 640 - Time: 2.243 Solver_block: 640 / 640 - Time: 0.985 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.554 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1901 Number of blocks in projector: 1901 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: 414 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 241 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 241 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 241 Use standard eigh solver. Tree of FC basis block matrices: - (1901, 1854), data: False |-- (241, 234), data: True |-- (241, 234), data: True |-- (241, 234), data: True |-- (378, 372), data: True |-- (386, 378), data: True |-- (414, 402), 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 03:18:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:18:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.527823919999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.176796669999998 0.000000000000000 c 0.000000000000000 0.000000000000000 6.231194669999998 Atomic positions (fractional): 1 F 0.54589430091884 0.17186225854719 0.93903842155321 18.998 2 F 0.95410569908116 0.82813774145281 0.93903842155321 18.998 3 F 0.95410569908116 0.67186225854719 0.56096157844679 18.998 4 F 0.54589430091884 0.32813774145281 0.56096157844679 18.998 5 F 0.45410569908116 0.82813774145281 0.06096157844679 18.998 6 F 0.04589430091884 0.17186225854719 0.06096157844679 18.998 7 F 0.04589430091884 0.32813774145281 0.43903842155321 18.998 8 F 0.45410569908116 0.67186225854719 0.43903842155321 18.998 9 F 0.09248252698515 0.75000000000000 0.25000000000000 18.998 10 F 0.40751747301485 0.25000000000000 0.25000000000000 18.998 11 F 0.90751747301485 0.25000000000000 0.75000000000000 18.998 12 F 0.59248252698515 0.75000000000000 0.75000000000000 18.998 13 F 0.23895286478668 0.81801293759802 0.92050695227380 18.998 14 F 0.26104713521332 0.18198706240198 0.92050695227380 18.998 15 F 0.26104713521332 0.31801293759802 0.57949304772620 18.998 16 F 0.23895286478668 0.68198706240198 0.57949304772620 18.998 17 F 0.76104713521332 0.18198706240198 0.07949304772620 18.998 18 F 0.73895286478668 0.81801293759802 0.07949304772620 18.998 19 F 0.73895286478668 0.68198706240198 0.42050695227380 18.998 20 F 0.76104713521332 0.31801293759802 0.42050695227380 18.998 21 F 0.11114059677435 0.05792958285107 0.61746987228074 18.998 22 F 0.38885940322565 0.94207041714893 0.61746987228074 18.998 23 F 0.38885940322565 0.55792958285107 0.88253012771926 18.998 24 F 0.11114059677435 0.44207041714893 0.88253012771926 18.998 25 F 0.88885940322565 0.94207041714893 0.38253012771926 18.998 26 F 0.61114059677435 0.05792958285107 0.38253012771926 18.998 27 F 0.61114059677435 0.44207041714893 0.11746987228074 18.998 28 F 0.88885940322565 0.55792958285107 0.11746987228074 18.998 29 K 0.25000000000000 0.00000000000000 0.26973761849296 39.098 30 K 0.25000000000000 0.50000000000000 0.23026238150704 39.098 31 K 0.75000000000000 0.00000000000000 0.73026238150704 39.098 32 K 0.75000000000000 0.50000000000000 0.76973761849296 39.098 33 Pd 0.59213848778575 0.75000000000000 0.25000000000000 106.420 34 Pd 0.90786151221425 0.25000000000000 0.25000000000000 106.420 35 Pd 0.40786151221425 0.25000000000000 0.75000000000000 106.420 36 Pd 0.09213848778575 0.75000000000000 0.75000000000000 106.420 37 Hf 0.40708763707522 0.75000000000000 0.75000000000000 178.490 38 Hf 0.09291236292478 0.25000000000000 0.75000000000000 178.490 39 Hf 0.59291236292478 0.25000000000000 0.25000000000000 178.490 40 Hf 0.90708763707522 0.75000000000000 0.25000000000000 178.490 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.527823919999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.176796669999998 0.000000000000000 c 0.000000000000000 0.000000000000000 12.462389339999996 Atomic positions (fractional): 1 F 0.54589430091884 0.17186225854719 0.46951921077661 18.998 > 1 2 F 0.54589430091884 0.17186225854719 0.96951921077661 18.998 > 1 3 F 0.95410569908116 0.82813774145281 0.46951921077661 18.998 > 3 4 F 0.95410569908116 0.82813774145281 0.96951921077661 18.998 > 3 5 F 0.95410569908116 0.67186225854719 0.28048078922339 18.998 > 5 6 F 0.95410569908116 0.67186225854719 0.78048078922339 18.998 > 5 7 F 0.54589430091884 0.32813774145281 0.28048078922339 18.998 > 7 8 F 0.54589430091884 0.32813774145281 0.78048078922339 18.998 > 7 9 F 0.45410569908116 0.82813774145281 0.03048078922339 18.998 > 9 10 F 0.45410569908116 0.82813774145281 0.53048078922339 18.998 > 9 11 F 0.04589430091884 0.17186225854719 0.03048078922339 18.998 > 11 12 F 0.04589430091884 0.17186225854719 0.53048078922339 18.998 > 11 13 F 0.04589430091884 0.32813774145281 0.21951921077661 18.998 > 13 14 F 0.04589430091884 0.32813774145281 0.71951921077661 18.998 > 13 15 F 0.45410569908116 0.67186225854719 0.21951921077661 18.998 > 15 16 F 0.45410569908116 0.67186225854719 0.71951921077661 18.998 > 15 17 F 0.09248252698515 0.75000000000000 0.12500000000000 18.998 > 17 18 F 0.09248252698515 0.75000000000000 0.62500000000000 18.998 > 17 19 F 0.40751747301485 0.25000000000000 0.12500000000000 18.998 > 19 20 F 0.40751747301485 0.25000000000000 0.62500000000000 18.998 > 19 21 F 0.90751747301485 0.25000000000000 0.37500000000000 18.998 > 21 22 F 0.90751747301485 0.25000000000000 0.87500000000000 18.998 > 21 23 F 0.59248252698515 0.75000000000000 0.37500000000000 18.998 > 23 24 F 0.59248252698515 0.75000000000000 0.87500000000000 18.998 > 23 25 F 0.23895286478668 0.81801293759802 0.46025347613690 18.998 > 25 26 F 0.23895286478668 0.81801293759802 0.96025347613690 18.998 > 25 27 F 0.26104713521332 0.18198706240198 0.46025347613690 18.998 > 27 28 F 0.26104713521332 0.18198706240198 0.96025347613690 18.998 > 27 29 F 0.26104713521332 0.31801293759802 0.28974652386310 18.998 > 29 30 F 0.26104713521332 0.31801293759802 0.78974652386310 18.998 > 29 31 F 0.23895286478668 0.68198706240198 0.28974652386310 18.998 > 31 32 F 0.23895286478668 0.68198706240198 0.78974652386310 18.998 > 31 33 F 0.76104713521332 0.18198706240198 0.03974652386310 18.998 > 33 34 F 0.76104713521332 0.18198706240198 0.53974652386310 18.998 > 33 35 F 0.73895286478668 0.81801293759802 0.03974652386310 18.998 > 35 36 F 0.73895286478668 0.81801293759802 0.53974652386310 18.998 > 35 37 F 0.73895286478668 0.68198706240198 0.21025347613690 18.998 > 37 38 F 0.73895286478668 0.68198706240198 0.71025347613690 18.998 > 37 39 F 0.76104713521332 0.31801293759802 0.21025347613690 18.998 > 39 40 F 0.76104713521332 0.31801293759802 0.71025347613690 18.998 > 39 41 F 0.11114059677435 0.05792958285107 0.30873493614037 18.998 > 41 42 F 0.11114059677435 0.05792958285107 0.80873493614037 18.998 > 41 43 F 0.38885940322565 0.94207041714893 0.30873493614037 18.998 > 43 44 F 0.38885940322565 0.94207041714893 0.80873493614037 18.998 > 43 45 F 0.38885940322565 0.55792958285107 0.44126506385963 18.998 > 45 46 F 0.38885940322565 0.55792958285107 0.94126506385963 18.998 > 45 47 F 0.11114059677435 0.44207041714893 0.44126506385963 18.998 > 47 48 F 0.11114059677435 0.44207041714893 0.94126506385963 18.998 > 47 49 F 0.88885940322565 0.94207041714893 0.19126506385963 18.998 > 49 50 F 0.88885940322565 0.94207041714893 0.69126506385963 18.998 > 49 51 F 0.61114059677435 0.05792958285107 0.19126506385963 18.998 > 51 52 F 0.61114059677435 0.05792958285107 0.69126506385963 18.998 > 51 53 F 0.61114059677435 0.44207041714893 0.05873493614037 18.998 > 53 54 F 0.61114059677435 0.44207041714893 0.55873493614037 18.998 > 53 55 F 0.88885940322565 0.55792958285107 0.05873493614037 18.998 > 55 56 F 0.88885940322565 0.55792958285107 0.55873493614037 18.998 > 55 57 K 0.25000000000000 0.00000000000000 0.13486880924648 39.098 > 57 58 K 0.25000000000000 0.00000000000000 0.63486880924648 39.098 > 57 59 K 0.25000000000000 0.50000000000000 0.11513119075352 39.098 > 59 60 K 0.25000000000000 0.50000000000000 0.61513119075352 39.098 > 59 61 K 0.75000000000000 0.00000000000000 0.36513119075352 39.098 > 61 62 K 0.75000000000000 0.00000000000000 0.86513119075352 39.098 > 61 63 K 0.75000000000000 0.50000000000000 0.38486880924648 39.098 > 63 64 K 0.75000000000000 0.50000000000000 0.88486880924648 39.098 > 63 65 Pd 0.59213848778575 0.75000000000000 0.12500000000000 106.420 > 65 66 Pd 0.59213848778575 0.75000000000000 0.62500000000000 106.420 > 65 67 Pd 0.90786151221425 0.25000000000000 0.12500000000000 106.420 > 67 68 Pd 0.90786151221425 0.25000000000000 0.62500000000000 106.420 > 67 69 Pd 0.40786151221425 0.25000000000000 0.37500000000000 106.420 > 69 70 Pd 0.40786151221425 0.25000000000000 0.87500000000000 106.420 > 69 71 Pd 0.09213848778575 0.75000000000000 0.37500000000000 106.420 > 71 72 Pd 0.09213848778575 0.75000000000000 0.87500000000000 106.420 > 71 73 Hf 0.40708763707522 0.75000000000000 0.37500000000000 178.490 > 73 74 Hf 0.40708763707522 0.75000000000000 0.87500000000000 178.490 > 73 75 Hf 0.09291236292478 0.25000000000000 0.37500000000000 178.490 > 75 76 Hf 0.09291236292478 0.25000000000000 0.87500000000000 178.490 > 75 77 Hf 0.59291236292478 0.25000000000000 0.12500000000000 178.490 > 77 78 Hf 0.59291236292478 0.25000000000000 0.62500000000000 178.490 > 77 79 Hf 0.90708763707522 0.75000000000000 0.12500000000000 178.490 > 79 80 Hf 0.90708763707522 0.75000000000000 0.62500000000000 178.490 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1338573 0.0000000 0.0000000 0.0000000 2.2976326 0.0000000 0.0000000 0.0000000 2.6700527 -------------------------- Born effective charges -------------------------- 1 F -1.1105054 0.1586017 -0.8990662 0.1194342 -0.5509200 -0.0328034 -0.7095250 -0.0871422 -1.6721427 2 F -1.1105054 0.1586017 0.8990662 0.1194342 -0.5509200 0.0328034 0.7095250 0.0871422 -1.6721427 3 F -1.1105054 -0.1586017 -0.8990662 -0.1194342 -0.5509200 0.0328034 -0.7095250 0.0871422 -1.6721427 4 F -1.1105054 -0.1586017 0.8990662 -0.1194342 -0.5509200 -0.0328034 0.7095250 -0.0871422 -1.6721427 5 F -1.1105054 0.1586017 -0.8990662 0.1194342 -0.5509200 -0.0328034 -0.7095250 -0.0871422 -1.6721427 6 F -1.1105054 0.1586017 0.8990662 0.1194342 -0.5509200 0.0328034 0.7095250 0.0871422 -1.6721427 7 F -1.1105054 -0.1586017 -0.8990662 -0.1194342 -0.5509200 0.0328034 -0.7095250 0.0871422 -1.6721427 8 F -1.1105054 -0.1586017 0.8990662 -0.1194342 -0.5509200 -0.0328034 0.7095250 -0.0871422 -1.6721427 9 F -1.7090339 0.0000000 0.0000000 0.0000000 -0.6400183 -0.0194455 0.0000000 -0.0047043 -0.8716719 10 F -1.7090339 0.0000000 0.0000000 0.0000000 -0.6400183 0.0194455 0.0000000 0.0047043 -0.8716719 11 F -1.7090339 0.0000000 0.0000000 0.0000000 -0.6400183 -0.0194455 0.0000000 -0.0047043 -0.8716719 12 F -1.7090339 0.0000000 0.0000000 0.0000000 -0.6400183 0.0194455 0.0000000 0.0047043 -0.8716719 13 F -1.7897090 -0.0475592 -0.0356535 -0.0649080 -0.5303314 -0.1434777 -0.1941422 -0.2030309 -0.7222024 14 F -1.7897090 -0.0475592 0.0356535 -0.0649080 -0.5303314 0.1434777 0.1941422 0.2030309 -0.7222024 15 F -1.7897090 0.0475592 -0.0356535 0.0649080 -0.5303314 0.1434777 -0.1941422 0.2030309 -0.7222024 16 F -1.7897090 0.0475592 0.0356535 0.0649080 -0.5303314 -0.1434777 0.1941422 -0.2030309 -0.7222024 17 F -1.7897090 -0.0475592 -0.0356535 -0.0649080 -0.5303314 -0.1434777 -0.1941422 -0.2030309 -0.7222024 18 F -1.7897090 -0.0475592 0.0356535 -0.0649080 -0.5303314 0.1434777 0.1941422 0.2030309 -0.7222024 19 F -1.7897090 0.0475592 -0.0356535 0.0649080 -0.5303314 0.1434777 -0.1941422 0.2030309 -0.7222024 20 F -1.7897090 0.0475592 0.0356535 0.0649080 -0.5303314 -0.1434777 0.1941422 -0.2030309 -0.7222024 21 F -0.7463196 0.0979121 0.0419573 0.1441620 -1.7736101 -0.4601863 0.0745584 -0.3599039 -0.9514766 22 F -0.7463196 0.0979121 -0.0419573 0.1441620 -1.7736101 0.4601863 -0.0745584 0.3599039 -0.9514766 23 F -0.7463196 -0.0979121 0.0419573 -0.1441620 -1.7736101 0.4601863 0.0745584 0.3599039 -0.9514766 24 F -0.7463196 -0.0979121 -0.0419573 -0.1441620 -1.7736101 -0.4601863 -0.0745584 -0.3599039 -0.9514766 25 F -0.7463196 0.0979121 0.0419573 0.1441620 -1.7736101 -0.4601863 0.0745584 -0.3599039 -0.9514766 26 F -0.7463196 0.0979121 -0.0419573 0.1441620 -1.7736101 0.4601863 -0.0745584 0.3599039 -0.9514766 27 F -0.7463196 -0.0979121 0.0419573 -0.1441620 -1.7736101 0.4601863 0.0745584 0.3599039 -0.9514766 28 F -0.7463196 -0.0979121 -0.0419573 -0.1441620 -1.7736101 -0.4601863 -0.0745584 -0.3599039 -0.9514766 29 K 1.2272912 0.1102876 0.0000000 -0.0322405 1.2435145 0.0000000 0.0000000 0.0000000 1.3717917 30 K 1.2272912 -0.1102876 0.0000000 0.0322405 1.2435145 0.0000000 0.0000000 0.0000000 1.3717917 31 K 1.2272912 0.1102876 0.0000000 -0.0322405 1.2435145 0.0000000 0.0000000 0.0000000 1.3717917 32 K 1.2272912 -0.1102876 0.0000000 0.0322405 1.2435145 0.0000000 0.0000000 0.0000000 1.3717917 33 Pd 2.6553585 0.0000000 0.0000000 0.0000000 1.0638822 -0.3226137 0.0000000 -0.5709220 1.7113002 34 Pd 2.6553585 0.0000000 0.0000000 0.0000000 1.0638822 0.3226137 0.0000000 0.5709220 1.7113002 35 Pd 2.6553585 0.0000000 0.0000000 0.0000000 1.0638822 -0.3226137 0.0000000 -0.5709220 1.7113002 36 Pd 2.6553585 0.0000000 0.0000000 0.0000000 1.0638822 0.3226137 0.0000000 0.5709220 1.7113002 37 Hf 5.1194522 0.0000000 0.0000000 0.0000000 4.0423444 -0.6382126 0.0000000 -0.0905822 4.4802233 38 Hf 5.1194522 0.0000000 0.0000000 0.0000000 4.0423444 0.6382126 0.0000000 0.0905822 4.4802233 39 Hf 5.1194522 0.0000000 0.0000000 0.0000000 4.0423444 -0.6382126 0.0000000 -0.0905822 4.4802233 40 Hf 5.1194522 0.0000000 0.0000000 0.0000000 4.0423444 0.6382126 0.0000000 0.0905822 4.4802233 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) 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 03:18:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:18:20]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.527823919999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.176796669999998 0.000000000000000 c 0.000000000000000 0.000000000000000 6.231194669999998 Atomic positions (fractional): 1 F 0.54589430091884 0.17186225854719 0.93903842155321 18.998 2 F 0.95410569908116 0.82813774145281 0.93903842155321 18.998 3 F 0.95410569908116 0.67186225854719 0.56096157844679 18.998 4 F 0.54589430091884 0.32813774145281 0.56096157844679 18.998 5 F 0.45410569908116 0.82813774145281 0.06096157844679 18.998 6 F 0.04589430091884 0.17186225854719 0.06096157844679 18.998 7 F 0.04589430091884 0.32813774145281 0.43903842155321 18.998 8 F 0.45410569908116 0.67186225854719 0.43903842155321 18.998 9 F 0.09248252698515 0.75000000000000 0.25000000000000 18.998 10 F 0.40751747301485 0.25000000000000 0.25000000000000 18.998 11 F 0.90751747301485 0.25000000000000 0.75000000000000 18.998 12 F 0.59248252698515 0.75000000000000 0.75000000000000 18.998 13 F 0.23895286478668 0.81801293759802 0.92050695227380 18.998 14 F 0.26104713521332 0.18198706240198 0.92050695227380 18.998 15 F 0.26104713521332 0.31801293759802 0.57949304772620 18.998 16 F 0.23895286478668 0.68198706240198 0.57949304772620 18.998 17 F 0.76104713521332 0.18198706240198 0.07949304772620 18.998 18 F 0.73895286478668 0.81801293759802 0.07949304772620 18.998 19 F 0.73895286478668 0.68198706240198 0.42050695227380 18.998 20 F 0.76104713521332 0.31801293759802 0.42050695227380 18.998 21 F 0.11114059677435 0.05792958285107 0.61746987228074 18.998 22 F 0.38885940322565 0.94207041714893 0.61746987228074 18.998 23 F 0.38885940322565 0.55792958285107 0.88253012771926 18.998 24 F 0.11114059677435 0.44207041714893 0.88253012771926 18.998 25 F 0.88885940322565 0.94207041714893 0.38253012771926 18.998 26 F 0.61114059677435 0.05792958285107 0.38253012771926 18.998 27 F 0.61114059677435 0.44207041714893 0.11746987228074 18.998 28 F 0.88885940322565 0.55792958285107 0.11746987228074 18.998 29 K 0.25000000000000 0.00000000000000 0.26973761849296 39.098 30 K 0.25000000000000 0.50000000000000 0.23026238150704 39.098 31 K 0.75000000000000 0.00000000000000 0.73026238150704 39.098 32 K 0.75000000000000 0.50000000000000 0.76973761849296 39.098 33 Pd 0.59213848778575 0.75000000000000 0.25000000000000 106.420 34 Pd 0.90786151221425 0.25000000000000 0.25000000000000 106.420 35 Pd 0.40786151221425 0.25000000000000 0.75000000000000 106.420 36 Pd 0.09213848778575 0.75000000000000 0.75000000000000 106.420 37 Hf 0.40708763707522 0.75000000000000 0.75000000000000 178.490 38 Hf 0.09291236292478 0.25000000000000 0.75000000000000 178.490 39 Hf 0.59291236292478 0.25000000000000 0.25000000000000 178.490 40 Hf 0.90708763707522 0.75000000000000 0.25000000000000 178.490 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.527823919999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.176796669999998 0.000000000000000 c 0.000000000000000 0.000000000000000 12.462389339999996 Atomic positions (fractional): 1 F 0.54589430091884 0.17186225854719 0.46951921077661 18.998 > 1 2 F 0.54589430091884 0.17186225854719 0.96951921077661 18.998 > 1 3 F 0.95410569908116 0.82813774145281 0.46951921077661 18.998 > 3 4 F 0.95410569908116 0.82813774145281 0.96951921077661 18.998 > 3 5 F 0.95410569908116 0.67186225854719 0.28048078922339 18.998 > 5 6 F 0.95410569908116 0.67186225854719 0.78048078922339 18.998 > 5 7 F 0.54589430091884 0.32813774145281 0.28048078922339 18.998 > 7 8 F 0.54589430091884 0.32813774145281 0.78048078922339 18.998 > 7 9 F 0.45410569908116 0.82813774145281 0.03048078922339 18.998 > 9 10 F 0.45410569908116 0.82813774145281 0.53048078922339 18.998 > 9 11 F 0.04589430091884 0.17186225854719 0.03048078922339 18.998 > 11 12 F 0.04589430091884 0.17186225854719 0.53048078922339 18.998 > 11 13 F 0.04589430091884 0.32813774145281 0.21951921077661 18.998 > 13 14 F 0.04589430091884 0.32813774145281 0.71951921077661 18.998 > 13 15 F 0.45410569908116 0.67186225854719 0.21951921077661 18.998 > 15 16 F 0.45410569908116 0.67186225854719 0.71951921077661 18.998 > 15 17 F 0.09248252698515 0.75000000000000 0.12500000000000 18.998 > 17 18 F 0.09248252698515 0.75000000000000 0.62500000000000 18.998 > 17 19 F 0.40751747301485 0.25000000000000 0.12500000000000 18.998 > 19 20 F 0.40751747301485 0.25000000000000 0.62500000000000 18.998 > 19 21 F 0.90751747301485 0.25000000000000 0.37500000000000 18.998 > 21 22 F 0.90751747301485 0.25000000000000 0.87500000000000 18.998 > 21 23 F 0.59248252698515 0.75000000000000 0.37500000000000 18.998 > 23 24 F 0.59248252698515 0.75000000000000 0.87500000000000 18.998 > 23 25 F 0.23895286478668 0.81801293759802 0.46025347613690 18.998 > 25 26 F 0.23895286478668 0.81801293759802 0.96025347613690 18.998 > 25 27 F 0.26104713521332 0.18198706240198 0.46025347613690 18.998 > 27 28 F 0.26104713521332 0.18198706240198 0.96025347613690 18.998 > 27 29 F 0.26104713521332 0.31801293759802 0.28974652386310 18.998 > 29 30 F 0.26104713521332 0.31801293759802 0.78974652386310 18.998 > 29 31 F 0.23895286478668 0.68198706240198 0.28974652386310 18.998 > 31 32 F 0.23895286478668 0.68198706240198 0.78974652386310 18.998 > 31 33 F 0.76104713521332 0.18198706240198 0.03974652386310 18.998 > 33 34 F 0.76104713521332 0.18198706240198 0.53974652386310 18.998 > 33 35 F 0.73895286478668 0.81801293759802 0.03974652386310 18.998 > 35 36 F 0.73895286478668 0.81801293759802 0.53974652386310 18.998 > 35 37 F 0.73895286478668 0.68198706240198 0.21025347613690 18.998 > 37 38 F 0.73895286478668 0.68198706240198 0.71025347613690 18.998 > 37 39 F 0.76104713521332 0.31801293759802 0.21025347613690 18.998 > 39 40 F 0.76104713521332 0.31801293759802 0.71025347613690 18.998 > 39 41 F 0.11114059677435 0.05792958285107 0.30873493614037 18.998 > 41 42 F 0.11114059677435 0.05792958285107 0.80873493614037 18.998 > 41 43 F 0.38885940322565 0.94207041714893 0.30873493614037 18.998 > 43 44 F 0.38885940322565 0.94207041714893 0.80873493614037 18.998 > 43 45 F 0.38885940322565 0.55792958285107 0.44126506385963 18.998 > 45 46 F 0.38885940322565 0.55792958285107 0.94126506385963 18.998 > 45 47 F 0.11114059677435 0.44207041714893 0.44126506385963 18.998 > 47 48 F 0.11114059677435 0.44207041714893 0.94126506385963 18.998 > 47 49 F 0.88885940322565 0.94207041714893 0.19126506385963 18.998 > 49 50 F 0.88885940322565 0.94207041714893 0.69126506385963 18.998 > 49 51 F 0.61114059677435 0.05792958285107 0.19126506385963 18.998 > 51 52 F 0.61114059677435 0.05792958285107 0.69126506385963 18.998 > 51 53 F 0.61114059677435 0.44207041714893 0.05873493614037 18.998 > 53 54 F 0.61114059677435 0.44207041714893 0.55873493614037 18.998 > 53 55 F 0.88885940322565 0.55792958285107 0.05873493614037 18.998 > 55 56 F 0.88885940322565 0.55792958285107 0.55873493614037 18.998 > 55 57 K 0.25000000000000 0.00000000000000 0.13486880924648 39.098 > 57 58 K 0.25000000000000 0.00000000000000 0.63486880924648 39.098 > 57 59 K 0.25000000000000 0.50000000000000 0.11513119075352 39.098 > 59 60 K 0.25000000000000 0.50000000000000 0.61513119075352 39.098 > 59 61 K 0.75000000000000 0.00000000000000 0.36513119075352 39.098 > 61 62 K 0.75000000000000 0.00000000000000 0.86513119075352 39.098 > 61 63 K 0.75000000000000 0.50000000000000 0.38486880924648 39.098 > 63 64 K 0.75000000000000 0.50000000000000 0.88486880924648 39.098 > 63 65 Pd 0.59213848778575 0.75000000000000 0.12500000000000 106.420 > 65 66 Pd 0.59213848778575 0.75000000000000 0.62500000000000 106.420 > 65 67 Pd 0.90786151221425 0.25000000000000 0.12500000000000 106.420 > 67 68 Pd 0.90786151221425 0.25000000000000 0.62500000000000 106.420 > 67 69 Pd 0.40786151221425 0.25000000000000 0.37500000000000 106.420 > 69 70 Pd 0.40786151221425 0.25000000000000 0.87500000000000 106.420 > 69 71 Pd 0.09213848778575 0.75000000000000 0.37500000000000 106.420 > 71 72 Pd 0.09213848778575 0.75000000000000 0.87500000000000 106.420 > 71 73 Hf 0.40708763707522 0.75000000000000 0.37500000000000 178.490 > 73 74 Hf 0.40708763707522 0.75000000000000 0.87500000000000 178.490 > 73 75 Hf 0.09291236292478 0.25000000000000 0.37500000000000 178.490 > 75 76 Hf 0.09291236292478 0.25000000000000 0.87500000000000 178.490 > 75 77 Hf 0.59291236292478 0.25000000000000 0.12500000000000 178.490 > 77 78 Hf 0.59291236292478 0.25000000000000 0.62500000000000 178.490 > 77 79 Hf 0.90708763707522 0.75000000000000 0.12500000000000 178.490 > 79 80 Hf 0.90708763707522 0.75000000000000 0.62500000000000 178.490 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1338573 0.0000000 0.0000000 0.0000000 2.2976326 0.0000000 0.0000000 0.0000000 2.6700527 -------------------------- Born effective charges -------------------------- 1 F -1.1105054 0.1586017 -0.8990662 0.1194342 -0.5509200 -0.0328034 -0.7095250 -0.0871422 -1.6721427 2 F -1.1105054 0.1586017 0.8990662 0.1194342 -0.5509200 0.0328034 0.7095250 0.0871422 -1.6721427 3 F -1.1105054 -0.1586017 -0.8990662 -0.1194342 -0.5509200 0.0328034 -0.7095250 0.0871422 -1.6721427 4 F -1.1105054 -0.1586017 0.8990662 -0.1194342 -0.5509200 -0.0328034 0.7095250 -0.0871422 -1.6721427 5 F -1.1105054 0.1586017 -0.8990662 0.1194342 -0.5509200 -0.0328034 -0.7095250 -0.0871422 -1.6721427 6 F -1.1105054 0.1586017 0.8990662 0.1194342 -0.5509200 0.0328034 0.7095250 0.0871422 -1.6721427 7 F -1.1105054 -0.1586017 -0.8990662 -0.1194342 -0.5509200 0.0328034 -0.7095250 0.0871422 -1.6721427 8 F -1.1105054 -0.1586017 0.8990662 -0.1194342 -0.5509200 -0.0328034 0.7095250 -0.0871422 -1.6721427 9 F -1.7090339 0.0000000 0.0000000 0.0000000 -0.6400183 -0.0194455 0.0000000 -0.0047043 -0.8716719 10 F -1.7090339 0.0000000 0.0000000 0.0000000 -0.6400183 0.0194455 0.0000000 0.0047043 -0.8716719 11 F -1.7090339 0.0000000 0.0000000 0.0000000 -0.6400183 -0.0194455 0.0000000 -0.0047043 -0.8716719 12 F -1.7090339 0.0000000 0.0000000 0.0000000 -0.6400183 0.0194455 0.0000000 0.0047043 -0.8716719 13 F -1.7897090 -0.0475592 -0.0356535 -0.0649080 -0.5303314 -0.1434777 -0.1941422 -0.2030309 -0.7222024 14 F -1.7897090 -0.0475592 0.0356535 -0.0649080 -0.5303314 0.1434777 0.1941422 0.2030309 -0.7222024 15 F -1.7897090 0.0475592 -0.0356535 0.0649080 -0.5303314 0.1434777 -0.1941422 0.2030309 -0.7222024 16 F -1.7897090 0.0475592 0.0356535 0.0649080 -0.5303314 -0.1434777 0.1941422 -0.2030309 -0.7222024 17 F -1.7897090 -0.0475592 -0.0356535 -0.0649080 -0.5303314 -0.1434777 -0.1941422 -0.2030309 -0.7222024 18 F -1.7897090 -0.0475592 0.0356535 -0.0649080 -0.5303314 0.1434777 0.1941422 0.2030309 -0.7222024 19 F -1.7897090 0.0475592 -0.0356535 0.0649080 -0.5303314 0.1434777 -0.1941422 0.2030309 -0.7222024 20 F -1.7897090 0.0475592 0.0356535 0.0649080 -0.5303314 -0.1434777 0.1941422 -0.2030309 -0.7222024 21 F -0.7463196 0.0979121 0.0419573 0.1441620 -1.7736101 -0.4601863 0.0745584 -0.3599039 -0.9514766 22 F -0.7463196 0.0979121 -0.0419573 0.1441620 -1.7736101 0.4601863 -0.0745584 0.3599039 -0.9514766 23 F -0.7463196 -0.0979121 0.0419573 -0.1441620 -1.7736101 0.4601863 0.0745584 0.3599039 -0.9514766 24 F -0.7463196 -0.0979121 -0.0419573 -0.1441620 -1.7736101 -0.4601863 -0.0745584 -0.3599039 -0.9514766 25 F -0.7463196 0.0979121 0.0419573 0.1441620 -1.7736101 -0.4601863 0.0745584 -0.3599039 -0.9514766 26 F -0.7463196 0.0979121 -0.0419573 0.1441620 -1.7736101 0.4601863 -0.0745584 0.3599039 -0.9514766 27 F -0.7463196 -0.0979121 0.0419573 -0.1441620 -1.7736101 0.4601863 0.0745584 0.3599039 -0.9514766 28 F -0.7463196 -0.0979121 -0.0419573 -0.1441620 -1.7736101 -0.4601863 -0.0745584 -0.3599039 -0.9514766 29 K 1.2272912 0.1102876 0.0000000 -0.0322405 1.2435145 0.0000000 0.0000000 0.0000000 1.3717917 30 K 1.2272912 -0.1102876 0.0000000 0.0322405 1.2435145 0.0000000 0.0000000 0.0000000 1.3717917 31 K 1.2272912 0.1102876 0.0000000 -0.0322405 1.2435145 0.0000000 0.0000000 0.0000000 1.3717917 32 K 1.2272912 -0.1102876 0.0000000 0.0322405 1.2435145 0.0000000 0.0000000 0.0000000 1.3717917 33 Pd 2.6553585 0.0000000 0.0000000 0.0000000 1.0638822 -0.3226137 0.0000000 -0.5709220 1.7113002 34 Pd 2.6553585 0.0000000 0.0000000 0.0000000 1.0638822 0.3226137 0.0000000 0.5709220 1.7113002 35 Pd 2.6553585 0.0000000 0.0000000 0.0000000 1.0638822 -0.3226137 0.0000000 -0.5709220 1.7113002 36 Pd 2.6553585 0.0000000 0.0000000 0.0000000 1.0638822 0.3226137 0.0000000 0.5709220 1.7113002 37 Hf 5.1194522 0.0000000 0.0000000 0.0000000 4.0423444 -0.6382126 0.0000000 -0.0905822 4.4802233 38 Hf 5.1194522 0.0000000 0.0000000 0.0000000 4.0423444 0.6382126 0.0000000 0.0905822 4.4802233 39 Hf 5.1194522 0.0000000 0.0000000 0.0000000 4.0423444 -0.6382126 0.0000000 -0.0905822 4.4802233 40 Hf 5.1194522 0.0000000 0.0000000 0.0000000 4.0423444 0.6382126 0.0000000 0.0905822 4.4802233 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) 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 ... [ 5 5 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.49, Number of G-points: 293, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 45 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 0.503 ( 0.000 0.000 0.000) 0.000 0.968 ( 0.000 0.000 0.000) 0.000 1.071 ( 0.000 0.000 0.000) 0.000 1.217 ( 0.000 0.000 0.000) 0.000 1.327 ( 0.000 0.000 0.000) 0.000 1.470 ( 0.000 0.000 0.000) 0.000 1.547 ( 0.000 0.000 0.000) 0.000 1.604 ( 0.000 0.000 0.000) 0.000 1.667 ( 0.000 0.000 0.000) 0.000 1.683 ( 0.000 0.000 0.000) 0.000 1.985 ( 0.000 0.000 0.000) 0.000 2.185 ( 0.000 0.000 0.000) 0.000 2.247 ( 0.000 0.000 0.000) 0.000 2.318 ( 0.000 0.000 0.000) 0.000 2.389 ( 0.000 0.000 0.000) 0.000 2.530 ( 0.000 0.000 0.000) 0.000 2.606 ( 0.000 0.000 0.000) 0.000 2.613 ( 0.000 0.000 0.000) 0.000 2.746 ( 0.000 0.000 0.000) 0.000 2.806 ( 0.000 0.000 0.000) 0.000 2.922 ( 0.000 0.000 0.000) 0.000 3.039 ( 0.000 0.000 0.000) 0.000 3.107 ( 0.000 0.000 0.000) 0.000 3.184 ( 0.000 0.000 0.000) 0.000 3.276 ( 0.000 0.000 0.000) 0.000 3.409 ( 0.000 0.000 0.000) 0.000 3.436 ( 0.000 0.000 0.000) 0.000 3.564 ( 0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 0.000) 0.000 3.791 ( 0.000 0.000 0.000) 0.000 3.925 ( 0.000 0.000 0.000) 0.000 3.944 ( 0.000 0.000 0.000) 0.000 4.004 ( 0.000 0.000 0.000) 0.000 4.107 ( 0.000 0.000 0.000) 0.000 4.169 ( 0.000 0.000 0.000) 0.000 4.171 ( 0.000 0.000 0.000) 0.000 4.179 ( 0.000 0.000 0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.387 ( 0.000 0.000 0.000) 0.000 4.389 ( 0.000 0.000 0.000) 0.000 4.423 ( 0.000 0.000 0.000) 0.000 4.550 ( 0.000 0.000 0.000) 0.000 4.686 ( 0.000 0.000 0.000) 0.000 4.854 ( 0.000 0.000 0.000) 0.000 4.904 ( 0.000 0.000 0.000) 0.000 4.985 ( 0.000 0.000 0.000) 0.000 5.092 ( 0.000 0.000 0.000) 0.000 5.099 ( 0.000 0.000 0.000) 0.000 5.286 ( 0.000 0.000 0.000) 0.000 5.336 ( 0.000 0.000 0.000) 0.000 5.377 ( 0.000 0.000 0.000) 0.000 5.407 ( 0.000 0.000 0.000) 0.000 5.551 ( 0.000 0.000 0.000) 0.000 5.640 ( 0.000 0.000 0.000) 0.000 5.688 ( 0.000 0.000 0.000) 0.000 5.714 ( 0.000 0.000 0.000) 0.000 5.724 ( 0.000 0.000 0.000) 0.000 6.004 ( 0.000 0.000 0.000) 0.000 6.092 ( 0.000 0.000 0.000) 0.000 6.191 ( 0.000 0.000 0.000) 0.000 6.249 ( 0.000 0.000 0.000) 0.000 6.463 ( 0.000 0.000 0.000) 0.000 6.921 ( 0.000 0.000 0.000) 0.000 7.002 ( 0.000 0.000 0.000) 0.000 7.065 ( 0.000 0.000 0.000) 0.000 7.220 ( 0.000 0.000 0.000) 0.000 7.239 ( 0.000 0.000 0.000) 0.000 7.302 ( 0.000 0.000 0.000) 0.000 7.462 ( 0.000 0.000 0.000) 0.000 7.555 ( 0.000 0.000 0.000) 0.000 7.595 ( 0.000 0.000 0.000) 0.000 7.644 ( 0.000 0.000 0.000) 0.000 8.036 ( 0.000 0.000 0.000) 0.000 9.688 ( 0.000 0.000 0.000) 0.000 9.690 ( 0.000 0.000 0.000) 0.000 9.787 ( 0.000 0.000 0.000) 0.000 9.872 ( 0.000 0.000 0.000) 0.000 9.900 ( 0.000 0.000 0.000) 0.000 9.982 ( 0.000 0.000 0.000) 0.000 10.032 ( 0.000 0.000 0.000) 0.000 10.082 ( 0.000 0.000 0.000) 0.000 10.771 ( 0.000 0.000 0.000) 0.000 10.810 ( 0.000 0.000 0.000) 0.000 11.213 ( 0.000 0.000 0.000) 0.000 11.231 ( 0.000 0.000 0.000) 0.000 11.536 ( 0.000 0.000 0.000) 0.000 11.565 ( 0.000 0.000 0.000) 0.000 11.815 ( 0.000 0.000 0.000) 0.000 11.816 ( 0.000 0.000 0.000) 0.000 12.302 ( 0.000 0.000 0.000) 0.000 12.650 ( 0.000 0.000 0.000) 0.000 13.380 ( 0.000 0.000 0.000) 0.000 13.413 ( 0.000 0.000 0.000) 0.000 14.044 ( 0.000 0.000 0.000) 0.000 14.050 ( 0.000 0.000 0.000) 0.000 14.137 ( 0.000 0.000 0.000) 0.000 14.306 ( 0.000 0.000 0.000) 0.000 14.412 ( 0.000 0.000 0.000) 0.000 14.503 ( 0.000 0.000 0.000) 0.000 15.282 ( 0.000 0.000 0.000) 0.000 15.728 ( 0.000 0.000 0.000) 0.000 15.768 ( 0.000 0.000 0.000) 0.000 15.791 ( 0.000 0.000 0.000) 0.000 15.794 ( 0.000 0.000 0.000) 0.000 15.870 ( 0.000 0.000 0.000) 0.000 15.875 ( 0.000 0.000 0.000) 0.000 15.962 ( 0.000 0.000 0.000) 0.000 16.151 ( 0.000 0.000 0.000) 0.000 16.229 ( 0.000 0.000 0.000) 0.000 16.320 ( 0.000 0.000 0.000) 0.000 16.408 ( 0.000 0.000 0.000) 0.000 16.445 ( 0.000 0.000 0.000) 0.000 17.027 ( 0.000 0.000 0.000) 0.000 17.843 ( 0.000 0.000 0.000) 0.000 17.886 ( 0.000 0.000 0.000) 0.000 18.165 ( 0.000 0.000 0.000) 0.000 18.261 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.206 ( 11.694 0.000 0.000) 11.694 0.479 ( 24.326 0.000 0.000) 24.326 0.694 ( 16.197 0.000 0.000) 16.197 0.745 ( 38.465 0.000 0.000) 38.465 0.987 ( 1.630 0.000 0.000) 1.630 1.011 ( -13.420 0.000 0.000) 13.420 1.274 ( 19.300 0.000 0.000) 19.300 1.321 ( -4.770 0.000 0.000) 4.770 1.475 ( 0.147 0.000 0.000) 0.147 1.545 ( -6.727 0.000 0.000) 6.727 1.636 ( 5.866 0.000 0.000) 5.866 1.697 ( 9.501 0.000 0.000) 9.501 1.731 ( -3.532 0.000 0.000) 3.532 2.049 ( 4.879 0.000 0.000) 4.879 2.121 ( -6.355 0.000 0.000) 6.355 2.193 ( -1.378 0.000 0.000) 1.378 2.283 ( -0.891 0.000 0.000) 0.891 2.372 ( -7.465 0.000 0.000) 7.465 2.514 ( -4.552 0.000 0.000) 4.552 2.521 ( -0.946 0.000 0.000) 0.946 2.680 ( 6.369 0.000 0.000) 6.369 2.792 ( -21.873 0.000 0.000) 21.873 2.840 ( 1.510 0.000 0.000) 1.510 2.853 ( -5.929 0.000 0.000) 5.929 3.070 ( 4.683 0.000 0.000) 4.683 3.128 ( 0.313 0.000 0.000) 0.313 3.236 ( -4.227 0.000 0.000) 4.227 3.303 ( 9.764 0.000 0.000) 9.764 3.363 ( -2.506 0.000 0.000) 2.506 3.488 ( 1.234 0.000 0.000) 1.234 3.544 ( 1.740 0.000 0.000) 1.740 3.734 ( -2.809 0.000 0.000) 2.809 3.812 ( 0.218 0.000 0.000) 0.218 3.886 ( -5.051 0.000 0.000) 5.051 3.950 ( 1.672 0.000 0.000) 1.672 4.005 ( -0.107 0.000 0.000) 0.107 4.095 ( -2.702 0.000 0.000) 2.702 4.134 ( -5.324 0.000 0.000) 5.324 4.189 ( 2.547 0.000 0.000) 2.547 4.205 ( 2.069 0.000 0.000) 2.069 4.333 ( -0.763 0.000 0.000) 0.763 4.417 ( 0.204 0.000 0.000) 0.204 4.420 ( -0.700 0.000 0.000) 0.700 4.510 ( 4.980 0.000 0.000) 4.980 4.537 ( -1.410 0.000 0.000) 1.410 4.761 ( 7.247 0.000 0.000) 7.247 4.881 ( 2.526 0.000 0.000) 2.526 4.935 ( 2.745 0.000 0.000) 2.745 4.970 ( -0.625 0.000 0.000) 0.625 5.077 ( -2.200 0.000 0.000) 2.200 5.103 ( 0.870 0.000 0.000) 0.870 5.213 ( -8.181 0.000 0.000) 8.181 5.299 ( -8.037 0.000 0.000) 8.037 5.314 ( -5.730 0.000 0.000) 5.730 5.583 ( -9.217 0.000 0.000) 9.217 5.654 ( -6.807 0.000 0.000) 6.807 5.661 ( 10.140 0.000 0.000) 10.140 5.767 ( 4.462 0.000 0.000) 4.462 5.780 ( 10.080 0.000 0.000) 10.080 5.996 ( -1.286 0.000 0.000) 1.286 6.096 ( 5.127 0.000 0.000) 5.127 6.141 ( -4.246 0.000 0.000) 4.246 6.158 ( 4.973 0.000 0.000) 4.973 6.223 ( -3.150 0.000 0.000) 3.150 6.529 ( 6.563 0.000 0.000) 6.563 6.899 ( -2.359 0.000 0.000) 2.359 7.025 ( 2.595 0.000 0.000) 2.595 7.155 ( 4.290 0.000 0.000) 4.290 7.236 ( 2.058 0.000 0.000) 2.058 7.285 ( 4.401 0.000 0.000) 4.401 7.294 ( -1.099 0.000 0.000) 1.099 7.434 ( -2.811 0.000 0.000) 2.811 7.535 ( -2.130 0.000 0.000) 2.130 7.563 ( -7.741 0.000 0.000) 7.741 7.595 ( 0.255 0.000 0.000) 0.255 7.946 ( -8.586 0.000 0.000) 8.586 9.717 ( 3.886 0.000 0.000) 3.886 9.780 ( 7.246 0.000 0.000) 7.246 9.810 ( 1.996 0.000 0.000) 1.996 9.887 ( 1.566 0.000 0.000) 1.566 9.938 ( 1.477 0.000 0.000) 1.477 10.000 ( 1.416 0.000 0.000) 1.416 10.018 ( -1.444 0.000 0.000) 1.444 10.065 ( -1.746 0.000 0.000) 1.746 10.776 ( 0.714 0.000 0.000) 0.714 10.812 ( 0.338 0.000 0.000) 0.338 11.075 ( -9.777 0.000 0.000) 9.777 11.093 ( -10.076 0.000 0.000) 10.076 11.744 ( 17.503 0.000 0.000) 17.503 11.774 ( 17.564 0.000 0.000) 17.564 11.874 ( 5.676 0.000 0.000) 5.676 12.264 ( -3.888 0.000 0.000) 3.888 12.660 ( 0.909 0.000 0.000) 0.909 12.670 ( 0.437 0.000 0.000) 0.437 13.105 ( -23.619 0.000 0.000) 23.619 13.141 ( -23.635 0.000 0.000) 23.635 14.048 ( -0.181 0.000 0.000) 0.181 14.114 ( -2.092 0.000 0.000) 2.092 14.338 ( 3.388 0.000 0.000) 3.388 14.660 ( 20.971 0.000 0.000) 20.971 14.742 ( -6.507 0.000 0.000) 6.507 14.758 ( 21.588 0.000 0.000) 21.588 15.304 ( 2.320 0.000 0.000) 2.320 15.604 ( -7.376 0.000 0.000) 7.376 15.684 ( -8.717 0.000 0.000) 8.717 15.792 ( -8.231 0.000 0.000) 8.231 15.821 ( 2.623 0.000 0.000) 2.623 15.929 ( 8.827 0.000 0.000) 8.827 15.953 ( -0.956 0.000 0.000) 0.956 16.151 ( 1.522 0.000 0.000) 1.522 16.176 ( 2.324 0.000 0.000) 2.324 16.242 ( 1.103 0.000 0.000) 1.103 16.303 ( -1.782 0.000 0.000) 1.782 16.394 ( -5.118 0.000 0.000) 5.118 17.047 ( 1.909 0.000 0.000) 1.909 17.163 ( -1.180 0.000 0.000) 1.180 17.914 ( 2.787 0.000 0.000) 2.787 18.017 ( 1.909 0.000 0.000) 1.909 18.134 ( -3.037 0.000 0.000) 3.037 18.234 ( -2.777 0.000 0.000) 2.777 ======================= Grid point 2 (3/45) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( 13.897 0.000 0.000) 13.897 0.718 ( -12.602 0.000 0.000) 12.602 0.912 ( 13.298 0.000 0.000) 13.298 1.007 ( 16.320 0.000 0.000) 16.320 1.009 ( -0.091 0.000 0.000) 0.091 1.299 ( 4.920 0.000 0.000) 4.920 1.333 ( -14.515 0.000 0.000) 14.515 1.440 ( 33.948 0.000 0.000) 33.948 1.471 ( -7.669 0.000 0.000) 7.669 1.607 ( -1.785 0.000 0.000) 1.785 1.644 ( -2.239 0.000 0.000) 2.239 1.729 ( 27.344 0.000 0.000) 27.344 1.903 ( 6.978 0.000 0.000) 6.978 1.993 ( -5.389 0.000 0.000) 5.389 2.013 ( -25.964 0.000 0.000) 25.964 2.118 ( 4.744 0.000 0.000) 4.744 2.205 ( -1.316 0.000 0.000) 1.316 2.272 ( -28.253 0.000 0.000) 28.253 2.359 ( 7.073 0.000 0.000) 7.073 2.474 ( -4.342 0.000 0.000) 4.342 2.592 ( 5.752 0.000 0.000) 5.752 2.724 ( -7.300 0.000 0.000) 7.300 2.805 ( 5.851 0.000 0.000) 5.851 2.856 ( 0.427 0.000 0.000) 0.427 3.083 ( -2.749 0.000 0.000) 2.749 3.125 ( -6.351 0.000 0.000) 6.351 3.183 ( 6.645 0.000 0.000) 6.645 3.298 ( -4.820 0.000 0.000) 4.820 3.466 ( 4.363 0.000 0.000) 4.363 3.489 ( -0.266 0.000 0.000) 0.266 3.695 ( 12.469 0.000 0.000) 12.469 3.748 ( 6.998 0.000 0.000) 6.998 3.793 ( -1.111 0.000 0.000) 1.111 3.803 ( -2.688 0.000 0.000) 2.688 3.945 ( -8.200 0.000 0.000) 8.200 3.948 ( -12.796 0.000 0.000) 12.796 3.988 ( -1.923 0.000 0.000) 1.923 3.997 ( -0.706 0.000 0.000) 0.706 4.253 ( 3.082 0.000 0.000) 3.082 4.257 ( 2.668 0.000 0.000) 2.668 4.356 ( 0.972 0.000 0.000) 0.972 4.386 ( -2.597 0.000 0.000) 2.597 4.427 ( 2.331 0.000 0.000) 2.331 4.492 ( -3.340 0.000 0.000) 3.340 4.652 ( 9.676 0.000 0.000) 9.676 4.828 ( -5.395 0.000 0.000) 5.395 4.935 ( 2.917 0.000 0.000) 2.917 4.979 ( 1.612 0.000 0.000) 1.612 4.983 ( -0.713 0.000 0.000) 0.713 5.025 ( -2.905 0.000 0.000) 2.905 5.119 ( 6.379 0.000 0.000) 6.379 5.129 ( 2.243 0.000 0.000) 2.243 5.200 ( -5.323 0.000 0.000) 5.323 5.291 ( 7.115 0.000 0.000) 7.115 5.358 ( -13.850 0.000 0.000) 13.850 5.479 ( -10.771 0.000 0.000) 10.771 5.842 ( 6.704 0.000 0.000) 6.704 5.913 ( 11.290 0.000 0.000) 11.290 5.944 ( 6.788 0.000 0.000) 6.788 5.944 ( -4.177 0.000 0.000) 4.177 6.048 ( -4.738 0.000 0.000) 4.738 6.113 ( -8.550 0.000 0.000) 8.550 6.194 ( 3.802 0.000 0.000) 3.802 6.222 ( 1.091 0.000 0.000) 1.091 6.683 ( 8.680 0.000 0.000) 8.680 6.824 ( -5.706 0.000 0.000) 5.706 7.109 ( 6.292 0.000 0.000) 6.292 7.238 ( -5.592 0.000 0.000) 5.592 7.255 ( 5.765 0.000 0.000) 5.765 7.303 ( 4.610 0.000 0.000) 4.610 7.359 ( -4.945 0.000 0.000) 4.945 7.383 ( 5.351 0.000 0.000) 5.351 7.406 ( -6.997 0.000 0.000) 6.997 7.475 ( -4.124 0.000 0.000) 4.124 7.626 ( 3.870 0.000 0.000) 3.870 7.759 ( -9.654 0.000 0.000) 9.654 9.799 ( 3.805 0.000 0.000) 3.805 9.836 ( 0.041 0.000 0.000) 0.041 9.924 ( 6.778 0.000 0.000) 6.778 9.928 ( 2.567 0.000 0.000) 2.567 9.976 ( 2.366 0.000 0.000) 2.366 9.979 ( -2.557 0.000 0.000) 2.557 10.006 ( -1.600 0.000 0.000) 1.600 10.023 ( -2.474 0.000 0.000) 2.474 10.810 ( 3.248 0.000 0.000) 3.248 10.834 ( 2.487 0.000 0.000) 2.487 10.909 ( -7.224 0.000 0.000) 7.224 10.922 ( -7.076 0.000 0.000) 7.076 12.011 ( 8.097 0.000 0.000) 8.097 12.137 ( 23.352 0.000 0.000) 23.352 12.159 ( -7.012 0.000 0.000) 7.012 12.168 ( 23.437 0.000 0.000) 23.437 12.615 ( -26.416 0.000 0.000) 26.416 12.648 ( -26.547 0.000 0.000) 26.547 12.676 ( 0.569 0.000 0.000) 0.569 12.678 ( 0.253 0.000 0.000) 0.253 14.050 ( 0.577 0.000 0.000) 0.577 14.073 ( -1.866 0.000 0.000) 1.866 14.435 ( 6.845 0.000 0.000) 6.845 14.589 ( -8.801 0.000 0.000) 8.801 15.079 ( 21.533 0.000 0.000) 21.533 15.187 ( 21.767 0.000 0.000) 21.767 15.367 ( 4.054 0.000 0.000) 4.054 15.444 ( -16.263 0.000 0.000) 16.263 15.475 ( -5.988 0.000 0.000) 5.988 15.561 ( -15.819 0.000 0.000) 15.819 15.878 ( 2.990 0.000 0.000) 2.990 15.926 ( -1.940 0.000 0.000) 1.940 16.100 ( 9.003 0.000 0.000) 9.003 16.193 ( 2.775 0.000 0.000) 2.775 16.221 ( 1.741 0.000 0.000) 1.741 16.254 ( -0.185 0.000 0.000) 0.185 16.258 ( -2.449 0.000 0.000) 2.449 16.265 ( -8.086 0.000 0.000) 8.086 17.090 ( 2.419 0.000 0.000) 2.419 17.133 ( -1.958 0.000 0.000) 1.958 17.981 ( 4.029 0.000 0.000) 4.029 18.061 ( -4.262 0.000 0.000) 4.262 18.075 ( 4.108 0.000 0.000) 4.108 18.162 ( -4.598 0.000 0.000) 4.598 ======================= Grid point 5 (4/45) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.253 ( 0.000 11.391 0.000) 11.391 0.344 ( 0.000 15.259 0.000) 15.259 0.478 ( 0.000 20.696 0.000) 20.696 0.644 ( 0.000 10.524 0.000) 10.524 0.879 ( 0.000 -6.323 0.000) 6.323 1.170 ( 0.000 -3.970 0.000) 3.970 1.199 ( 0.000 8.439 0.000) 8.439 1.328 ( 0.000 -0.839 0.000) 0.839 1.412 ( 0.000 -5.531 0.000) 5.531 1.576 ( 0.000 2.445 0.000) 2.445 1.597 ( 0.000 -0.012 0.000) 0.012 1.637 ( 0.000 -2.659 0.000) 2.659 1.785 ( 0.000 4.940 0.000) 4.940 1.961 ( 0.000 -1.986 0.000) 1.986 2.154 ( 0.000 -8.708 0.000) 8.708 2.208 ( 0.000 1.277 0.000) 1.277 2.220 ( 0.000 -2.657 0.000) 2.657 2.450 ( 0.000 -6.257 0.000) 6.257 2.544 ( 0.000 7.744 0.000) 7.744 2.611 ( 0.000 0.417 0.000) 0.417 2.621 ( 0.000 1.130 0.000) 1.130 2.752 ( 0.000 0.253 0.000) 0.253 2.839 ( 0.000 -2.880 0.000) 2.880 2.968 ( 0.000 2.804 0.000) 2.804 3.055 ( 0.000 0.340 0.000) 0.340 3.161 ( 0.000 -6.164 0.000) 6.164 3.171 ( 0.000 -1.471 0.000) 1.471 3.395 ( 0.000 -3.636 0.000) 3.636 3.505 ( 0.000 5.979 0.000) 5.979 3.582 ( 0.000 1.260 0.000) 1.260 3.654 ( 0.000 2.494 0.000) 2.494 3.701 ( 0.000 1.421 0.000) 1.421 3.779 ( 0.000 -1.201 0.000) 1.201 3.890 ( 0.000 -4.306 0.000) 4.306 3.982 ( 0.000 -1.946 0.000) 1.946 3.992 ( 0.000 5.368 0.000) 5.368 4.086 ( 0.000 -5.066 0.000) 5.066 4.127 ( 0.000 1.212 0.000) 1.212 4.176 ( 0.000 -0.226 0.000) 0.226 4.189 ( 0.000 1.685 0.000) 1.685 4.349 ( 0.000 -3.134 0.000) 3.134 4.364 ( 0.000 -2.144 0.000) 2.144 4.420 ( 0.000 5.904 0.000) 5.904 4.443 ( 0.000 0.132 0.000) 0.132 4.557 ( 0.000 1.614 0.000) 1.614 4.719 ( 0.000 2.628 0.000) 2.628 4.840 ( 0.000 -1.412 0.000) 1.412 4.885 ( 0.000 -1.515 0.000) 1.515 5.011 ( 0.000 1.951 0.000) 1.951 5.090 ( 0.000 -0.208 0.000) 0.208 5.306 ( 0.000 1.879 0.000) 1.879 5.320 ( 0.000 0.397 0.000) 0.397 5.332 ( 0.000 -0.349 0.000) 0.349 5.374 ( 0.000 -0.133 0.000) 0.133 5.379 ( 0.000 -2.228 0.000) 2.228 5.512 ( 0.000 -1.207 0.000) 1.207 5.646 ( 0.000 -3.836 0.000) 3.836 5.677 ( 0.000 -3.849 0.000) 3.849 5.731 ( 0.000 1.472 0.000) 1.472 5.738 ( 0.000 6.420 0.000) 6.420 5.974 ( 0.000 -5.297 0.000) 5.297 6.074 ( 0.000 -1.874 0.000) 1.874 6.162 ( 0.000 -0.400 0.000) 0.400 6.240 ( 0.000 -0.869 0.000) 0.869 6.596 ( 0.000 7.675 0.000) 7.675 6.968 ( 0.000 4.041 0.000) 4.041 6.975 ( 0.000 -2.453 0.000) 2.453 7.079 ( 0.000 1.211 0.000) 1.211 7.214 ( 0.000 -1.993 0.000) 1.993 7.273 ( 0.000 -2.622 0.000) 2.622 7.453 ( 0.000 -0.755 0.000) 0.755 7.459 ( 0.000 1.874 0.000) 1.874 7.486 ( 0.000 -3.363 0.000) 3.363 7.583 ( 0.000 -1.067 0.000) 1.067 7.743 ( 0.000 6.008 0.000) 6.008 8.018 ( 0.000 -1.668 0.000) 1.668 9.690 ( 0.000 0.197 0.000) 0.197 9.692 ( 0.000 0.166 0.000) 0.166 9.872 ( 0.000 0.042 0.000) 0.042 9.896 ( 0.000 -0.409 0.000) 0.409 9.940 ( 0.000 0.585 0.000) 0.585 9.979 ( 0.000 -0.268 0.000) 0.268 10.036 ( 0.000 0.405 0.000) 0.405 10.077 ( 0.000 -0.452 0.000) 0.452 10.775 ( 0.000 0.362 0.000) 0.362 10.806 ( 0.000 -0.305 0.000) 0.305 11.215 ( 0.000 0.182 0.000) 0.182 11.232 ( 0.000 -0.175 0.000) 0.175 11.562 ( 0.000 0.008 0.000) 0.008 11.564 ( 0.000 -0.043 0.000) 0.043 11.815 ( 0.000 0.042 0.000) 0.042 11.817 ( 0.000 0.012 0.000) 0.012 12.321 ( 0.000 1.818 0.000) 1.818 12.600 ( 0.000 -4.242 0.000) 4.242 13.389 ( 0.000 0.655 0.000) 0.655 13.413 ( 0.000 0.035 0.000) 0.035 14.045 ( 0.000 0.092 0.000) 0.092 14.050 ( 0.000 -0.025 0.000) 0.025 14.133 ( 0.000 -0.118 0.000) 0.118 14.272 ( 0.000 -2.811 0.000) 2.811 14.420 ( 0.000 0.684 0.000) 0.684 14.493 ( 0.000 -0.863 0.000) 0.863 15.734 ( 0.000 0.093 0.000) 0.093 15.749 ( 0.000 1.514 0.000) 1.514 15.795 ( 0.000 0.187 0.000) 0.187 15.818 ( 0.000 1.944 0.000) 1.944 15.823 ( 0.000 -2.293 0.000) 2.293 15.909 ( 0.000 0.996 0.000) 0.996 15.994 ( 0.000 2.816 0.000) 2.816 16.178 ( 0.000 1.054 0.000) 1.054 16.223 ( 0.000 -0.504 0.000) 0.504 16.295 ( 0.000 -4.702 0.000) 4.702 16.352 ( 0.000 4.213 0.000) 4.213 16.596 ( 0.000 8.337 0.000) 8.337 16.957 ( 0.000 -6.260 0.000) 6.260 17.135 ( 0.000 -5.463 0.000) 5.463 17.856 ( 0.000 1.098 0.000) 1.098 17.895 ( 0.000 0.576 0.000) 0.576 18.173 ( 0.000 0.749 0.000) 0.749 18.250 ( 0.000 -0.951 0.000) 0.951 ======================= Grid point 6 (5/45) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 5.562 16.182 0.000) 17.111 0.579 ( 18.936 8.002 0.000) 20.558 0.770 ( 29.776 3.488 0.000) 29.980 0.783 ( 12.370 6.868 0.000) 14.149 1.030 ( -10.299 1.459 0.000) 10.402 1.052 ( 13.131 2.169 0.000) 13.309 1.247 ( 7.783 0.293 0.000) 7.789 1.305 ( -3.157 -1.796 0.000) 3.632 1.414 ( 0.083 -5.572 0.000) 5.573 1.570 ( -4.190 0.459 0.000) 4.215 1.633 ( 2.576 -0.353 0.000) 2.600 1.694 ( 10.051 0.126 0.000) 10.052 1.773 ( -3.491 4.099 0.000) 5.384 2.020 ( 4.441 -2.371 0.000) 5.034 2.126 ( -6.450 -0.144 0.000) 6.452 2.168 ( 2.172 -6.425 0.000) 6.782 2.208 ( 0.433 1.416 0.000) 1.480 2.439 ( -13.071 2.165 0.000) 13.249 2.467 ( -0.717 -5.072 0.000) 5.122 2.555 ( -2.131 1.423 0.000) 2.562 2.641 ( -2.552 0.972 0.000) 2.731 2.793 ( 0.777 -1.692 0.000) 1.862 2.896 ( 5.991 -5.868 0.000) 8.386 2.897 ( -10.349 7.278 0.000) 12.652 2.975 ( -2.202 5.856 0.000) 6.257 3.132 ( -2.240 -7.246 0.000) 7.584 3.277 ( 8.972 -1.737 0.000) 9.139 3.383 ( -1.428 -1.999 0.000) 2.456 3.390 ( -8.315 11.406 0.000) 14.115 3.503 ( -1.585 3.126 0.000) 3.505 3.556 ( 0.551 0.887 0.000) 1.044 3.644 ( -4.240 -3.837 0.000) 5.719 3.828 ( -4.917 -3.844 0.000) 6.241 3.846 ( 0.031 0.321 0.000) 0.322 3.990 ( 1.840 -0.987 0.000) 2.087 4.024 ( 1.284 4.831 0.000) 4.998 4.094 ( -4.473 0.053 0.000) 4.473 4.136 ( 4.395 -3.977 0.000) 5.927 4.137 ( -4.658 0.308 0.000) 4.668 4.217 ( 2.095 1.126 0.000) 2.378 4.322 ( -0.090 -1.043 0.000) 1.047 4.380 ( 0.578 -3.064 0.000) 3.118 4.428 ( -1.228 0.467 0.000) 1.313 4.486 ( 1.751 -0.997 0.000) 2.015 4.579 ( 2.703 3.549 0.000) 4.461 4.781 ( 6.171 1.662 0.000) 6.391 4.863 ( 2.221 -1.717 0.000) 2.807 4.904 ( 2.038 -1.830 0.000) 2.739 5.003 ( -0.571 1.874 0.000) 1.959 5.090 ( -0.865 -1.033 0.000) 1.347 5.121 ( -4.893 3.312 0.000) 5.909 5.220 ( -6.125 0.679 0.000) 6.163 5.292 ( -6.850 -0.634 0.000) 6.879 5.302 ( -5.990 -1.124 0.000) 6.095 5.584 ( -6.048 -0.245 0.000) 6.053 5.625 ( 10.034 -1.993 0.000) 10.230 5.655 ( -6.897 -0.091 0.000) 6.897 5.722 ( 4.363 -3.261 0.000) 5.447 5.768 ( 13.541 -10.564 0.000) 17.175 5.853 ( 8.938 4.897 0.000) 10.192 5.975 ( 0.739 -7.883 0.000) 7.917 6.139 ( 5.004 -1.862 0.000) 5.339 6.151 ( -0.326 1.087 0.000) 1.135 6.225 ( -2.020 -0.289 0.000) 2.041 6.628 ( 4.246 7.267 0.000) 8.416 6.948 ( -2.126 4.219 0.000) 4.724 7.005 ( 3.089 -2.215 0.000) 3.801 7.138 ( 5.159 0.093 0.000) 5.160 7.219 ( 0.988 -1.347 0.000) 1.671 7.264 ( -1.105 -2.679 0.000) 2.898 7.415 ( -0.430 5.792 0.000) 5.808 7.424 ( -3.045 -0.939 0.000) 3.187 7.451 ( -3.756 -3.151 0.000) 4.903 7.585 ( 0.407 -0.894 0.000) 0.982 7.678 ( -5.948 5.914 0.000) 8.388 7.931 ( -8.326 -1.435 0.000) 8.448 9.726 ( 4.315 0.792 0.000) 4.387 9.777 ( 7.005 -0.295 0.000) 7.012 9.868 ( -0.131 2.780 0.000) 2.783 9.893 ( 1.269 0.763 0.000) 1.481 9.933 ( 1.197 -0.218 0.000) 1.216 9.997 ( 1.253 -0.343 0.000) 1.299 10.022 ( -1.470 0.374 0.000) 1.517 10.060 ( -1.722 -0.420 0.000) 1.773 10.779 ( 0.671 0.326 0.000) 0.746 10.808 ( 0.366 -0.284 0.000) 0.463 11.080 ( -9.944 0.335 0.000) 9.950 11.092 ( -10.074 -0.055 0.000) 10.075 11.749 ( 17.277 0.389 0.000) 17.281 11.772 ( 17.485 -0.165 0.000) 17.485 11.882 ( 6.429 0.828 0.000) 6.482 12.285 ( -3.728 1.991 0.000) 4.226 12.292 ( 22.094 -19.979 0.000) 29.788 12.600 ( -0.120 -4.984 0.000) 4.985 13.113 ( -23.629 0.646 0.000) 23.638 13.142 ( -23.480 0.071 0.000) 23.480 14.049 ( -0.019 0.139 0.000) 0.140 14.113 ( -1.806 0.095 0.000) 1.809 14.226 ( 11.398 -13.374 0.000) 17.572 14.285 ( 1.420 -4.092 0.000) 4.332 14.670 ( 21.123 0.834 0.000) 21.140 14.748 ( 21.551 -0.871 0.000) 21.569 15.658 ( -7.443 2.404 0.000) 7.822 15.670 ( -4.300 4.923 0.000) 6.536 15.752 ( -7.183 0.387 0.000) 7.194 15.816 ( -5.949 4.243 0.000) 7.307 15.874 ( -0.181 5.835 0.000) 5.837 15.892 ( 6.277 -2.447 0.000) 6.737 15.985 ( -0.808 2.717 0.000) 2.834 16.159 ( -5.951 -0.066 0.000) 5.952 16.205 ( 2.214 0.308 0.000) 2.235 16.211 ( -1.228 -1.176 0.000) 1.700 16.345 ( -0.510 5.463 0.000) 5.487 16.517 ( -4.985 9.116 0.000) 10.390 16.975 ( 1.711 -6.418 0.000) 6.642 17.089 ( -2.426 -6.088 0.000) 6.554 17.914 ( 2.981 -0.048 0.000) 2.981 17.956 ( 5.216 -2.174 0.000) 5.651 18.142 ( -3.097 0.720 0.000) 3.179 18.222 ( -2.906 -1.053 0.000) 3.091 ======================= Grid point 7 (6/45) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 8.903 11.898 0.000) 14.860 0.792 ( -8.572 6.051 0.000) 10.493 0.964 ( 11.831 4.448 0.000) 12.640 1.026 ( 13.273 1.274 0.000) 13.334 1.058 ( 0.732 4.256 0.000) 4.318 1.280 ( -7.778 -4.413 0.000) 8.943 1.299 ( 3.953 -0.705 0.000) 4.015 1.427 ( -4.540 -3.096 0.000) 5.495 1.449 ( 21.631 0.223 0.000) 21.632 1.634 ( -1.916 -0.319 0.000) 1.943 1.641 ( 13.305 -1.552 0.000) 13.395 1.740 ( 10.809 5.211 0.000) 11.999 1.857 ( 2.269 -3.642 0.000) 4.291 2.012 ( -3.856 1.221 0.000) 4.045 2.041 ( -13.529 1.774 0.000) 13.644 2.102 ( -6.551 -0.612 0.000) 6.580 2.223 ( -6.998 -1.975 0.000) 7.272 2.226 ( -1.238 1.563 0.000) 1.994 2.373 ( -6.296 -2.546 0.000) 6.791 2.417 ( -3.822 -4.733 0.000) 6.083 2.631 ( 5.667 4.919 0.000) 7.504 2.761 ( -5.781 2.047 0.000) 6.132 2.881 ( 3.653 6.399 0.000) 7.368 2.913 ( -0.497 4.509 0.000) 4.536 2.986 ( 2.668 -4.264 0.000) 5.030 3.059 ( -5.106 -5.057 0.000) 7.187 3.315 ( -0.146 8.151 0.000) 8.152 3.352 ( -2.185 2.344 0.000) 3.205 3.412 ( 2.246 -5.051 0.000) 5.528 3.443 ( -3.116 -2.348 0.000) 3.902 3.663 ( 7.678 -2.537 0.000) 8.086 3.692 ( 11.154 -1.308 0.000) 11.230 3.748 ( -2.757 -3.840 0.000) 4.727 3.817 ( 0.422 -1.363 0.000) 1.427 3.921 ( -12.316 -1.084 0.000) 12.363 3.971 ( -10.623 -0.496 0.000) 10.635 4.025 ( 1.240 2.697 0.000) 2.969 4.041 ( -0.992 5.103 0.000) 5.198 4.230 ( 4.450 -2.037 0.000) 4.894 4.263 ( 1.631 0.335 0.000) 1.665 4.345 ( 1.147 -0.884 0.000) 1.449 4.389 ( -2.850 0.357 0.000) 2.873 4.405 ( 3.142 -1.764 0.000) 3.604 4.471 ( -2.753 -1.677 0.000) 3.223 4.681 ( 7.896 2.549 0.000) 8.297 4.835 ( -5.087 0.600 0.000) 5.122 4.908 ( 2.180 -2.323 0.000) 3.186 4.937 ( -0.413 -2.248 0.000) 2.286 5.008 ( 0.603 0.803 0.000) 1.004 5.044 ( -3.332 1.574 0.000) 3.685 5.068 ( 4.583 -1.968 0.000) 4.988 5.181 ( -6.002 -1.526 0.000) 6.193 5.197 ( 5.056 3.293 0.000) 6.034 5.294 ( 6.889 0.149 0.000) 6.891 5.390 ( -12.575 2.397 0.000) 12.802 5.479 ( -10.767 -0.020 0.000) 10.767 5.810 ( 5.775 -2.552 0.000) 6.313 5.834 ( 8.909 -4.058 0.000) 9.790 5.869 ( -0.276 -5.139 0.000) 5.146 5.963 ( -3.630 -5.895 0.000) 6.924 6.011 ( 7.403 3.440 0.000) 8.163 6.138 ( -5.236 0.974 0.000) 5.326 6.191 ( 1.865 -0.127 0.000) 1.870 6.206 ( 1.337 -1.537 0.000) 2.037 6.751 ( 7.671 5.621 0.000) 9.510 6.880 ( -5.260 4.721 0.000) 7.068 7.094 ( 6.167 -1.703 0.000) 6.397 7.213 ( -4.970 -2.389 0.000) 5.514 7.243 ( 5.381 -0.919 0.000) 5.459 7.266 ( 4.017 -1.517 0.000) 4.294 7.339 ( -5.230 -1.819 0.000) 5.537 7.359 ( -5.195 -1.546 0.000) 5.420 7.462 ( 4.415 4.659 0.000) 6.419 7.560 ( -5.817 4.926 0.000) 7.622 7.619 ( 3.928 -0.653 0.000) 3.981 7.750 ( -9.345 -0.887 0.000) 9.387 9.818 ( 4.401 1.593 0.000) 4.680 9.869 ( -0.839 2.570 0.000) 2.703 9.917 ( 6.658 -0.618 0.000) 6.686 9.932 ( 2.562 0.328 0.000) 2.583 9.969 ( 2.338 -0.559 0.000) 2.404 9.982 ( -2.569 0.340 0.000) 2.591 10.000 ( -1.628 -0.574 0.000) 1.726 10.018 ( -2.502 -0.420 0.000) 2.537 10.812 ( 3.186 0.228 0.000) 3.194 10.832 ( 2.563 -0.195 0.000) 2.571 10.912 ( -7.286 0.182 0.000) 7.288 10.922 ( -7.122 -0.067 0.000) 7.123 12.030 ( 8.656 1.806 0.000) 8.843 12.143 ( 23.292 0.562 0.000) 23.299 12.164 ( 23.184 -0.376 0.000) 23.187 12.182 ( -7.005 2.216 0.000) 7.347 12.530 ( 6.449 -11.491 0.000) 13.177 12.568 ( -7.683 -6.419 0.000) 10.012 12.624 ( -26.049 0.420 0.000) 26.052 12.670 ( -20.819 -0.457 0.000) 20.824 14.054 ( 0.659 0.433 0.000) 0.789 14.077 ( -1.714 0.430 0.000) 1.767 14.323 ( 2.202 -7.745 0.000) 8.052 14.342 ( 1.305 -13.161 0.000) 13.226 15.091 ( 21.611 0.938 0.000) 21.632 15.177 ( 21.808 -0.967 0.000) 21.830 15.451 ( -15.273 0.786 0.000) 15.294 15.537 ( -15.424 -0.511 0.000) 15.432 15.614 ( -1.063 9.871 0.000) 9.928 15.654 ( -6.157 14.485 0.000) 15.740 15.914 ( 2.635 3.410 0.000) 4.309 15.955 ( -1.440 2.589 0.000) 2.963 16.020 ( 5.924 -4.489 0.000) 7.433 16.114 ( -2.839 -5.523 0.000) 6.210 16.194 ( 0.824 -0.826 0.000) 1.167 16.225 ( -0.869 -1.501 0.000) 1.735 16.358 ( 2.461 8.258 0.000) 8.617 16.427 ( -4.402 8.516 0.000) 9.586 17.013 ( 2.098 -6.813 0.000) 7.129 17.051 ( -1.842 -7.070 0.000) 7.306 17.983 ( 4.187 0.235 0.000) 4.193 18.050 ( 4.979 -1.691 0.000) 5.258 18.067 ( -4.451 0.542 0.000) 4.484 18.146 ( -4.845 -1.277 0.000) 5.011 ======================= Grid point 10 (7/45) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 0.000 10.350 0.000) 10.350 0.650 ( 0.000 12.330 0.000) 12.330 0.695 ( 0.000 -7.595 0.000) 7.595 0.817 ( 0.000 0.497 0.000) 0.497 0.913 ( 0.000 15.925 0.000) 15.925 1.109 ( 0.000 2.085 0.000) 2.085 1.223 ( 0.000 -11.751 0.000) 11.751 1.246 ( 0.000 -6.650 0.000) 6.650 1.394 ( 0.000 8.661 0.000) 8.661 1.550 ( 0.000 -5.481 0.000) 5.481 1.625 ( 0.000 1.987 0.000) 1.987 1.632 ( 0.000 1.823 0.000) 1.823 1.923 ( 0.000 -0.468 0.000) 0.468 1.933 ( 0.000 8.241 0.000) 8.241 1.985 ( 0.000 -6.091 0.000) 6.091 2.114 ( 0.000 -7.318 0.000) 7.318 2.247 ( 0.000 2.317 0.000) 2.317 2.319 ( 0.000 -4.694 0.000) 4.694 2.616 ( 0.000 0.528 0.000) 0.528 2.619 ( 0.000 0.193 0.000) 0.193 2.745 ( 0.000 8.498 0.000) 8.498 2.757 ( 0.000 0.491 0.000) 0.491 2.783 ( 0.000 -1.965 0.000) 1.965 2.935 ( 0.000 -8.633 0.000) 8.633 3.038 ( 0.000 3.544 0.000) 3.544 3.116 ( 0.000 -3.366 0.000) 3.366 3.171 ( 0.000 4.608 0.000) 4.608 3.290 ( 0.000 -5.649 0.000) 5.649 3.616 ( 0.000 2.101 0.000) 2.101 3.642 ( 0.000 6.391 0.000) 6.391 3.667 ( 0.000 -1.877 0.000) 1.877 3.763 ( 0.000 3.409 0.000) 3.409 3.777 ( 0.000 -5.858 0.000) 5.858 3.789 ( 0.000 1.655 0.000) 1.655 3.934 ( 0.000 -1.424 0.000) 1.424 3.977 ( 0.000 -4.550 0.000) 4.550 4.118 ( 0.000 4.929 0.000) 4.929 4.146 ( 0.000 0.479 0.000) 0.479 4.176 ( 0.000 0.860 0.000) 0.860 4.237 ( 0.000 1.869 0.000) 1.869 4.264 ( 0.000 -3.853 0.000) 3.853 4.306 ( 0.000 -2.984 0.000) 2.984 4.451 ( 0.000 0.610 0.000) 0.610 4.466 ( 0.000 -0.451 0.000) 0.451 4.666 ( 0.000 6.644 0.000) 6.644 4.784 ( 0.000 3.044 0.000) 3.044 4.784 ( 0.000 -3.890 0.000) 3.890 4.843 ( 0.000 -2.323 0.000) 2.323 5.054 ( 0.000 1.740 0.000) 1.740 5.081 ( 0.000 -0.738 0.000) 0.738 5.325 ( 0.000 -0.118 0.000) 0.118 5.332 ( 0.000 0.629 0.000) 0.629 5.336 ( 0.000 -1.290 0.000) 1.290 5.342 ( 0.000 0.161 0.000) 0.161 5.403 ( 0.000 4.137 0.000) 4.137 5.517 ( 0.000 1.662 0.000) 1.662 5.528 ( 0.000 -6.396 0.000) 6.396 5.583 ( 0.000 -4.160 0.000) 4.160 5.778 ( 0.000 2.839 0.000) 2.839 5.858 ( 0.000 -4.627 0.000) 4.627 5.882 ( 0.000 6.415 0.000) 6.415 6.004 ( 0.000 -4.555 0.000) 4.555 6.180 ( 0.000 1.465 0.000) 1.465 6.213 ( 0.000 -1.478 0.000) 1.478 6.763 ( 0.000 7.098 0.000) 7.098 6.895 ( 0.000 -4.913 0.000) 4.913 7.078 ( 0.000 5.571 0.000) 5.571 7.115 ( 0.000 2.038 0.000) 2.038 7.164 ( 0.000 -2.398 0.000) 2.398 7.192 ( 0.000 -4.664 0.000) 4.664 7.436 ( 0.000 -0.585 0.000) 0.585 7.438 ( 0.000 -1.033 0.000) 1.033 7.505 ( 0.000 2.221 0.000) 2.221 7.550 ( 0.000 -1.853 0.000) 1.853 7.868 ( 0.000 5.173 0.000) 5.173 7.962 ( 0.000 -3.454 0.000) 3.454 9.695 ( 0.000 0.135 0.000) 0.135 9.695 ( 0.000 0.092 0.000) 0.092 9.876 ( 0.000 0.304 0.000) 0.304 9.885 ( 0.000 -0.509 0.000) 0.509 9.955 ( 0.000 0.733 0.000) 0.733 9.970 ( 0.000 -0.559 0.000) 0.559 10.048 ( 0.000 0.687 0.000) 0.687 10.064 ( 0.000 -0.717 0.000) 0.717 10.785 ( 0.000 0.552 0.000) 0.552 10.797 ( 0.000 -0.517 0.000) 0.517 11.220 ( 0.000 0.290 0.000) 0.290 11.226 ( 0.000 -0.286 0.000) 0.286 11.562 ( 0.000 0.030 0.000) 0.030 11.563 ( 0.000 -0.051 0.000) 0.051 11.816 ( 0.000 0.039 0.000) 0.039 11.817 ( 0.000 -0.006 0.000) 0.006 12.383 ( 0.000 3.936 0.000) 3.936 12.488 ( 0.000 -5.405 0.000) 5.405 13.403 ( 0.000 0.594 0.000) 0.594 13.412 ( 0.000 -0.200 0.000) 0.200 14.047 ( 0.000 0.115 0.000) 0.115 14.049 ( 0.000 -0.074 0.000) 0.074 14.146 ( 0.000 1.573 0.000) 1.573 14.201 ( 0.000 -3.238 0.000) 3.238 14.441 ( 0.000 1.181 0.000) 1.181 14.469 ( 0.000 -1.294 0.000) 1.294 15.746 ( 0.000 0.995 0.000) 0.995 15.777 ( 0.000 -1.850 0.000) 1.850 15.779 ( 0.000 1.087 0.000) 1.087 15.794 ( 0.000 -0.329 0.000) 0.329 15.868 ( 0.000 2.358 0.000) 2.358 15.908 ( 0.000 -1.092 0.000) 1.092 16.073 ( 0.000 4.056 0.000) 4.056 16.154 ( 0.000 -2.924 0.000) 2.924 16.212 ( 0.000 -0.241 0.000) 0.241 16.225 ( 0.000 -1.731 0.000) 1.731 16.527 ( 0.000 10.704 0.000) 10.704 16.768 ( 0.000 -10.573 0.000) 10.573 16.787 ( 0.000 9.007 0.000) 9.007 16.979 ( 0.000 -8.348 0.000) 8.348 17.884 ( 0.000 1.180 0.000) 1.180 17.900 ( 0.000 -0.229 0.000) 0.229 18.195 ( 0.000 1.234 0.000) 1.234 18.224 ( 0.000 -1.340 0.000) 1.340 ======================= Grid point 11 (8/45) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 15.301 9.963 0.000) 18.259 0.770 ( 10.942 8.365 0.000) 13.773 0.886 ( 6.314 -0.489 0.000) 6.333 0.893 ( 15.208 2.888 0.000) 15.480 1.024 ( 16.704 1.799 0.000) 16.800 1.089 ( -1.844 5.371 0.000) 5.678 1.223 ( 0.254 -9.924 0.000) 9.928 1.226 ( -1.083 -5.537 0.000) 5.642 1.370 ( -1.353 7.026 0.000) 7.155 1.515 ( -3.121 -5.193 0.000) 6.059 1.642 ( 1.524 1.832 0.000) 2.383 1.691 ( 5.003 -1.356 0.000) 5.184 1.915 ( -1.829 8.074 0.000) 8.278 1.983 ( 5.563 0.227 0.000) 5.567 2.044 ( 5.943 -4.711 0.000) 7.584 2.074 ( -3.557 -5.273 0.000) 6.361 2.259 ( 1.250 3.153 0.000) 3.392 2.344 ( 0.647 -4.973 0.000) 5.015 2.474 ( -13.391 1.596 0.000) 13.486 2.518 ( -10.511 -2.479 0.000) 10.799 2.768 ( 1.188 -0.189 0.000) 1.202 2.769 ( 0.549 7.952 0.000) 7.971 2.799 ( 2.694 -3.032 0.000) 4.056 2.949 ( 0.314 -8.061 0.000) 8.067 3.086 ( -5.091 8.483 0.000) 9.893 3.096 ( 2.973 5.201 0.000) 5.990 3.204 ( 6.661 -4.520 0.000) 8.050 3.268 ( -1.517 -7.485 0.000) 7.637 3.545 ( -4.742 2.268 0.000) 5.256 3.564 ( -1.706 -0.192 0.000) 1.717 3.609 ( -3.794 5.619 0.000) 6.780 3.670 ( -7.654 6.020 0.000) 9.738 3.729 ( -4.548 -5.172 0.000) 6.888 3.798 ( -4.310 -4.613 0.000) 6.313 3.991 ( 6.452 1.517 0.000) 6.628 4.050 ( 6.405 -3.575 0.000) 7.335 4.098 ( -5.154 0.780 0.000) 5.213 4.104 ( -4.462 0.586 0.000) 4.500 4.174 ( 0.008 4.134 0.000) 4.134 4.252 ( 0.794 1.464 0.000) 1.666 4.276 ( 1.841 -3.175 0.000) 3.670 4.308 ( 1.179 -2.771 0.000) 3.012 4.439 ( -1.201 0.713 0.000) 1.396 4.461 ( -0.756 -1.241 0.000) 1.453 4.689 ( 2.331 5.792 0.000) 6.243 4.801 ( 1.689 -4.058 0.000) 4.396 4.823 ( 4.144 1.981 0.000) 4.593 4.864 ( 2.557 -1.825 0.000) 3.141 5.038 ( -2.163 1.359 0.000) 2.555 5.065 ( -2.671 -1.177 0.000) 2.919 5.199 ( -6.658 3.528 0.000) 7.535 5.242 ( -3.694 1.277 0.000) 3.909 5.265 ( -6.653 -2.362 0.000) 7.060 5.271 ( -4.355 -1.232 0.000) 4.526 5.571 ( 1.603 -0.384 0.000) 1.648 5.595 ( 4.320 -2.974 0.000) 5.245 5.605 ( 8.014 0.446 0.000) 8.026 5.646 ( 5.610 -3.113 0.000) 6.415 5.722 ( -1.775 2.906 0.000) 3.405 5.819 ( -1.446 -5.975 0.000) 6.147 5.968 ( 6.964 5.346 0.000) 8.779 6.074 ( 5.520 -4.090 0.000) 6.870 6.179 ( -0.232 1.389 0.000) 1.409 6.208 ( -0.902 -1.196 0.000) 1.498 6.793 ( 3.455 7.181 0.000) 7.969 6.927 ( 3.438 -4.953 0.000) 6.029 7.063 ( -1.691 5.764 0.000) 6.007 7.154 ( 3.629 1.166 0.000) 3.811 7.181 ( -1.312 -4.819 0.000) 4.994 7.185 ( 2.096 -1.607 0.000) 2.641 7.403 ( -3.402 -0.499 0.000) 3.438 7.409 ( -2.976 -0.997 0.000) 3.138 7.504 ( 0.549 2.946 0.000) 2.997 7.555 ( 0.733 -1.847 0.000) 1.987 7.797 ( -6.695 4.781 0.000) 8.227 7.882 ( -7.619 -3.062 0.000) 8.211 9.747 ( 5.307 1.012 0.000) 5.402 9.766 ( 6.317 -0.701 0.000) 6.356 9.892 ( 1.746 0.534 0.000) 1.825 9.904 ( 1.853 -0.396 0.000) 1.894 9.953 ( -0.099 1.668 0.000) 1.671 9.982 ( 0.814 -1.008 0.000) 1.296 10.033 ( -1.549 0.629 0.000) 1.672 10.048 ( -1.650 -0.660 0.000) 1.777 10.789 ( 0.565 0.501 0.000) 0.755 10.800 ( 0.447 -0.475 0.000) 0.653 11.086 ( -9.949 0.234 0.000) 9.952 11.090 ( -10.005 -0.139 0.000) 10.006 11.758 ( 17.120 0.444 0.000) 17.126 11.767 ( 17.292 -0.308 0.000) 17.295 11.916 ( 9.232 2.495 0.000) 9.563 12.012 ( 15.716 -7.199 0.000) 17.286 12.354 ( -3.146 4.364 0.000) 5.380 12.472 ( -1.902 -6.146 0.000) 6.433 13.129 ( -23.613 0.679 0.000) 23.623 13.140 ( -23.466 -0.309 0.000) 23.468 14.057 ( 0.766 0.674 0.000) 1.021 14.087 ( 3.425 -2.593 0.000) 4.296 14.131 ( -1.400 1.777 0.000) 2.262 14.193 ( -0.711 -3.849 0.000) 3.914 14.693 ( 21.304 1.298 0.000) 21.343 14.723 ( 21.443 -1.350 0.000) 21.485 15.689 ( -6.919 1.384 0.000) 7.056 15.723 ( -6.838 -1.696 0.000) 7.046 15.770 ( 0.273 3.780 0.000) 3.790 15.837 ( 3.374 -2.628 0.000) 4.277 15.879 ( 0.979 2.608 0.000) 2.786 15.926 ( 2.671 -1.014 0.000) 2.857 16.069 ( -0.424 4.564 0.000) 4.584 16.162 ( 0.634 -3.564 0.000) 3.620 16.163 ( -5.515 0.988 0.000) 5.603 16.191 ( -2.294 -1.178 0.000) 2.579 16.537 ( 1.141 10.992 0.000) 11.051 16.725 ( -5.314 9.503 0.000) 10.888 16.783 ( 1.369 -10.713 0.000) 10.800 16.924 ( -4.334 -8.613 0.000) 9.642 17.920 ( 3.201 0.649 0.000) 3.266 17.935 ( 3.477 -0.594 0.000) 3.527 18.164 ( -3.157 1.251 0.000) 3.395 18.194 ( -3.093 -1.420 0.000) 3.403 ======================= Grid point 12 (9/45) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 3.416 12.700 0.000) 13.152 0.935 ( 0.519 5.999 0.000) 6.022 1.021 ( 8.994 -1.594 0.000) 9.134 1.098 ( 5.087 6.602 0.000) 8.335 1.127 ( 0.423 -8.182 0.000) 8.193 1.184 ( -1.565 5.303 0.000) 5.529 1.236 ( 2.414 -5.191 0.000) 5.725 1.320 ( -2.872 -6.035 0.000) 6.683 1.489 ( 17.661 3.090 0.000) 17.929 1.568 ( 15.381 -3.848 0.000) 15.855 1.663 ( -0.673 3.252 0.000) 3.321 1.759 ( -0.112 -4.979 0.000) 4.980 1.899 ( 2.601 7.351 0.000) 7.798 2.012 ( -1.483 -2.258 0.000) 2.701 2.078 ( -0.895 2.050 0.000) 2.237 2.113 ( -11.677 0.118 0.000) 11.678 2.200 ( -1.989 0.752 0.000) 2.127 2.260 ( -2.294 1.550 0.000) 2.768 2.275 ( -7.553 -5.008 0.000) 9.062 2.313 ( -3.621 -3.832 0.000) 5.272 2.768 ( 0.742 6.941 0.000) 6.980 2.792 ( -0.123 1.732 0.000) 1.736 2.861 ( 3.397 -4.438 0.000) 5.589 2.923 ( -2.745 -7.017 0.000) 7.535 3.063 ( 1.486 9.471 0.000) 9.587 3.091 ( -1.556 8.248 0.000) 8.393 3.260 ( 0.384 -7.977 0.000) 7.986 3.266 ( 0.104 -7.623 0.000) 7.624 3.495 ( -2.770 7.799 0.000) 8.276 3.515 ( -4.630 5.956 0.000) 7.544 3.625 ( 2.506 -3.412 0.000) 4.233 3.645 ( -2.886 -5.616 0.000) 6.314 3.673 ( 10.909 1.304 0.000) 10.986 3.743 ( 4.471 -4.314 0.000) 6.213 3.917 ( -12.661 0.859 0.000) 12.690 3.947 ( -11.627 -1.505 0.000) 11.724 4.098 ( 4.273 3.583 0.000) 5.576 4.156 ( -2.012 5.019 0.000) 5.407 4.172 ( 5.545 -3.126 0.000) 6.365 4.245 ( -2.024 -2.668 0.000) 3.349 4.335 ( 3.930 0.543 0.000) 3.967 4.364 ( 4.108 -1.789 0.000) 4.481 4.403 ( -2.776 0.940 0.000) 2.931 4.432 ( -2.550 -1.706 0.000) 3.068 4.755 ( 4.694 3.970 0.000) 6.148 4.841 ( 2.398 -3.691 0.000) 4.402 4.855 ( -3.874 1.253 0.000) 4.071 4.890 ( -2.065 -1.931 0.000) 2.827 5.021 ( 1.876 0.504 0.000) 1.942 5.036 ( 3.941 -0.992 0.000) 4.064 5.088 ( -4.833 2.329 0.000) 5.365 5.139 ( -6.030 -2.250 0.000) 6.436 5.259 ( 5.947 2.243 0.000) 6.356 5.291 ( 6.439 -0.646 0.000) 6.472 5.441 ( -11.174 2.001 0.000) 11.352 5.472 ( -10.840 -0.792 0.000) 10.869 5.759 ( 5.122 -1.379 0.000) 5.304 5.766 ( 7.442 -1.960 0.000) 7.696 5.794 ( 2.220 -0.769 0.000) 2.349 5.840 ( 0.280 -4.561 0.000) 4.570 6.086 ( 4.929 3.424 0.000) 6.002 6.156 ( 2.583 -2.902 0.000) 3.885 6.159 ( -2.662 1.048 0.000) 2.861 6.181 ( -0.933 -0.825 0.000) 1.246 6.893 ( 6.536 6.726 0.000) 9.378 7.005 ( -4.559 6.222 0.000) 7.714 7.023 ( 6.246 -4.809 0.000) 7.883 7.131 ( -4.309 -4.988 0.000) 6.591 7.232 ( 4.116 0.065 0.000) 4.116 7.242 ( 4.124 -0.815 0.000) 4.204 7.317 ( -4.993 0.009 0.000) 4.993 7.332 ( -4.827 -1.119 0.000) 4.955 7.547 ( 4.100 3.021 0.000) 5.093 7.596 ( 4.068 -1.573 0.000) 4.361 7.656 ( -7.134 3.677 0.000) 8.026 7.718 ( -8.442 -2.089 0.000) 8.697 9.859 ( 5.501 1.952 0.000) 5.837 9.896 ( 6.281 -1.356 0.000) 6.426 9.926 ( -0.490 2.115 0.000) 2.171 9.942 ( 2.114 0.620 0.000) 2.203 9.956 ( 1.620 -0.419 0.000) 1.673 9.979 ( -1.656 -1.410 0.000) 2.174 9.993 ( -2.593 0.577 0.000) 2.656 10.006 ( -2.565 -0.633 0.000) 2.642 10.819 ( 3.006 0.342 0.000) 3.025 10.826 ( 2.764 -0.323 0.000) 2.783 10.916 ( -7.320 0.192 0.000) 7.322 10.920 ( -7.233 -0.129 0.000) 7.235 12.092 ( 11.614 3.770 0.000) 12.211 12.148 ( 21.429 -1.083 0.000) 21.457 12.166 ( 21.792 1.893 0.000) 21.874 12.260 ( -6.804 5.088 0.000) 8.497 12.285 ( 12.737 -9.296 0.000) 15.769 12.403 ( -5.996 -7.704 0.000) 9.762 12.639 ( -26.373 0.813 0.000) 26.386 12.656 ( -25.551 -0.748 0.000) 25.562 14.075 ( 1.172 1.773 0.000) 2.125 14.101 ( -1.539 2.069 0.000) 2.578 14.147 ( 2.368 -5.334 0.000) 5.837 14.177 ( -1.042 -5.087 0.000) 5.192 15.117 ( 21.561 1.374 0.000) 21.605 15.149 ( 21.647 -1.481 0.000) 21.697 15.474 ( -15.458 1.370 0.000) 15.519 15.508 ( -15.556 -1.621 0.000) 15.640 15.800 ( 2.975 6.440 0.000) 7.094 15.869 ( -3.013 5.842 0.000) 6.573 15.913 ( 4.371 -4.529 0.000) 6.294 15.969 ( 0.096 -2.918 0.000) 2.919 16.058 ( -0.695 5.450 0.000) 5.494 16.066 ( -3.013 4.293 0.000) 5.244 16.157 ( -0.391 -2.904 0.000) 2.930 16.166 ( -0.413 -3.958 0.000) 3.980 16.570 ( 2.350 10.921 0.000) 11.171 16.630 ( -4.113 10.048 0.000) 10.857 16.814 ( 1.834 -10.836 0.000) 10.990 16.855 ( -2.716 -10.180 0.000) 10.536 17.995 ( 4.542 0.830 0.000) 4.617 18.018 ( 4.962 -1.245 0.000) 5.116 18.085 ( -4.768 1.137 0.000) 4.902 18.114 ( -4.959 -1.465 0.000) 5.171 ======================= Grid point 25 (10/45) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.282 ( 0.000 0.000 13.691) 13.691 0.491 ( 0.000 0.000 23.273) 23.273 0.638 ( 0.000 0.000 12.120) 12.120 0.718 ( 0.000 0.000 34.257) 34.257 1.034 ( 0.000 0.000 5.805) 5.805 1.076 ( 0.000 0.000 2.300) 2.300 1.173 ( 0.000 0.000 -3.594) 3.594 1.431 ( 0.000 0.000 -4.825) 4.825 1.455 ( 0.000 0.000 7.939) 7.939 1.555 ( 0.000 0.000 0.852) 0.852 1.700 ( 0.000 0.000 4.056) 4.056 1.724 ( 0.000 0.000 3.844) 3.844 1.753 ( 0.000 0.000 8.986) 8.986 2.007 ( 0.000 0.000 2.202) 2.202 2.132 ( 0.000 0.000 -4.178) 4.178 2.202 ( 0.000 0.000 -4.221) 4.221 2.323 ( 0.000 0.000 0.467) 0.467 2.448 ( 0.000 0.000 4.434) 4.434 2.460 ( 0.000 0.000 -6.745) 6.745 2.597 ( 0.000 0.000 -0.997) 0.997 2.610 ( 0.000 0.000 0.461) 0.461 2.795 ( 0.000 0.000 3.811) 3.811 2.820 ( 0.000 0.000 0.686) 0.686 2.937 ( 0.000 0.000 1.777) 1.777 3.006 ( 0.000 0.000 -2.790) 2.790 3.111 ( 0.000 0.000 0.415) 0.415 3.220 ( 0.000 0.000 -2.560) 2.560 3.224 ( 0.000 0.000 1.406) 1.406 3.351 ( 0.000 0.000 -7.045) 7.045 3.365 ( 0.000 0.000 -3.351) 3.351 3.584 ( 0.000 0.000 0.591) 0.591 3.663 ( 0.000 0.000 -2.051) 2.051 3.774 ( 0.000 0.000 -2.529) 2.529 3.774 ( 0.000 0.000 -9.789) 9.789 3.956 ( 0.000 0.000 0.996) 0.996 4.000 ( 0.000 0.000 -7.203) 7.203 4.053 ( 0.000 0.000 -4.309) 4.309 4.092 ( 0.000 0.000 -4.602) 4.602 4.159 ( 0.000 0.000 -3.107) 3.107 4.247 ( 0.000 0.000 6.796) 6.796 4.317 ( 0.000 0.000 -1.185) 1.185 4.342 ( 0.000 0.000 -1.374) 1.374 4.429 ( 0.000 0.000 -7.910) 7.910 4.438 ( 0.000 0.000 0.545) 0.545 4.586 ( 0.000 0.000 3.247) 3.247 4.718 ( 0.000 0.000 2.914) 2.914 4.990 ( 0.000 0.000 -0.453) 0.453 4.998 ( 0.000 0.000 6.541) 6.541 5.027 ( 0.000 0.000 11.917) 11.917 5.071 ( 0.000 0.000 -3.191) 3.191 5.207 ( 0.000 0.000 -8.521) 8.521 5.277 ( 0.000 0.000 -3.947) 3.947 5.346 ( 0.000 0.000 4.905) 4.905 5.490 ( 0.000 0.000 1.827) 1.827 5.522 ( 0.000 0.000 -9.636) 9.636 5.563 ( 0.000 0.000 0.710) 0.710 5.669 ( 0.000 0.000 2.753) 2.753 5.742 ( 0.000 0.000 4.139) 4.139 5.789 ( 0.000 0.000 0.099) 0.099 5.879 ( 0.000 0.000 -6.953) 6.953 5.935 ( 0.000 0.000 -1.526) 1.526 6.266 ( 0.000 0.000 10.546) 10.546 6.299 ( 0.000 0.000 8.545) 8.545 6.329 ( 0.000 0.000 7.549) 7.549 6.492 ( 0.000 0.000 2.927) 2.927 6.912 ( 0.000 0.000 -0.887) 0.887 7.020 ( 0.000 0.000 1.721) 1.721 7.032 ( 0.000 0.000 -2.998) 2.998 7.197 ( 0.000 0.000 -2.319) 2.319 7.223 ( 0.000 0.000 -1.520) 1.520 7.305 ( 0.000 0.000 -0.610) 0.610 7.434 ( 0.000 0.000 -2.688) 2.688 7.559 ( 0.000 0.000 0.651) 0.651 7.583 ( 0.000 0.000 -0.979) 0.979 8.064 ( 0.000 0.000 2.241) 2.241 8.358 ( 0.000 0.000 -4.882) 4.882 9.648 ( 0.000 0.000 -3.032) 3.032 9.653 ( 0.000 0.000 -2.958) 2.958 9.711 ( 0.000 0.000 -5.418) 5.418 9.877 ( 0.000 0.000 -6.026) 6.026 9.956 ( 0.000 0.000 6.890) 6.890 9.975 ( 0.000 0.000 6.159) 6.159 10.122 ( 0.000 0.000 6.738) 6.738 10.207 ( 0.000 0.000 7.776) 7.776 10.762 ( 0.000 0.000 -0.792) 0.792 10.839 ( 0.000 0.000 -1.165) 1.165 11.179 ( 0.000 0.000 -3.686) 3.686 11.202 ( 0.000 0.000 -3.303) 3.303 11.550 ( 0.000 0.000 2.213) 2.213 11.576 ( 0.000 0.000 1.882) 1.882 11.842 ( 0.000 0.000 2.636) 2.636 11.848 ( 0.000 0.000 2.937) 2.937 12.366 ( 0.000 0.000 5.834) 5.834 12.676 ( 0.000 0.000 2.406) 2.406 13.392 ( 0.000 0.000 -2.868) 2.868 13.712 ( 0.000 0.000 -15.764) 15.764 13.973 ( 0.000 0.000 -3.654) 3.654 14.153 ( 0.000 0.000 1.476) 1.476 14.329 ( 0.000 0.000 2.366) 2.366 14.334 ( 0.000 0.000 14.552) 14.552 14.553 ( 0.000 0.000 11.329) 11.329 15.106 ( 0.000 0.000 -0.352) 0.352 15.305 ( 0.000 0.000 2.221) 2.221 15.731 ( 0.000 0.000 -3.555) 3.555 15.765 ( 0.000 0.000 -2.407) 2.407 15.786 ( 0.000 0.000 -0.720) 0.720 15.834 ( 0.000 0.000 -3.332) 3.332 15.900 ( 0.000 0.000 2.241) 2.241 15.980 ( 0.000 0.000 1.270) 1.270 16.157 ( 0.000 0.000 0.455) 0.455 16.240 ( 0.000 0.000 1.112) 1.112 16.308 ( 0.000 0.000 -1.190) 1.190 16.386 ( 0.000 0.000 -2.084) 2.084 16.389 ( 0.000 0.000 -4.904) 4.904 16.421 ( 0.000 0.000 -0.968) 0.968 17.002 ( 0.000 0.000 -2.844) 2.844 17.844 ( 0.000 0.000 0.145) 0.145 17.895 ( 0.000 0.000 0.903) 0.903 18.144 ( 0.000 0.000 -1.966) 1.966 18.224 ( 0.000 0.000 -3.402) 3.402 ======================= Grid point 26 (11/45) ======================= q-point: ( 0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( 7.272 0.000 11.210) 13.363 0.616 ( 15.620 0.000 14.948) 21.620 0.774 ( 14.855 0.000 6.041) 16.036 1.023 ( 3.965 0.000 10.004) 10.761 1.078 ( 9.603 0.000 15.494) 18.228 1.080 ( 4.209 0.000 7.519) 8.617 1.301 ( 17.818 0.000 1.340) 17.869 1.370 ( -2.655 0.000 4.101) 4.885 1.423 ( -1.155 0.000 -5.073) 5.203 1.619 ( -6.959 0.000 7.437) 10.185 1.686 ( 3.909 0.000 -0.692) 3.970 1.690 ( 4.263 0.000 5.235) 6.751 1.763 ( -3.883 0.000 3.045) 4.934 2.048 ( 3.280 0.000 -0.267) 3.291 2.070 ( -7.312 0.000 -4.318) 8.492 2.117 ( -6.201 0.000 -6.842) 9.233 2.290 ( -0.681 0.000 0.768) 1.026 2.371 ( -6.618 0.000 -2.579) 7.103 2.496 ( -0.370 0.000 0.184) 0.413 2.547 ( -3.129 0.000 3.209) 4.481 2.687 ( 6.001 0.000 0.566) 6.028 2.811 ( -6.240 0.000 -0.376) 6.251 2.817 ( -4.366 0.000 -2.620) 5.091 2.848 ( -8.822 0.000 1.442) 8.939 2.998 ( 9.076 0.000 -0.284) 9.080 3.101 ( -1.838 0.000 -2.270) 2.921 3.209 ( -2.829 0.000 -3.592) 4.572 3.358 ( 11.500 0.000 4.851) 12.481 3.359 ( 2.127 0.000 -0.426) 2.169 3.429 ( 3.948 0.000 -5.224) 6.548 3.560 ( -1.510 0.000 1.221) 1.942 3.651 ( -1.646 0.000 -4.021) 4.345 3.738 ( -1.703 0.000 -6.164) 6.395 3.775 ( 0.246 0.000 -7.816) 7.820 3.990 ( -3.911 0.000 1.172) 4.083 4.006 ( 1.827 0.000 -4.652) 4.998 4.020 ( 0.173 0.000 -2.992) 2.997 4.099 ( -5.319 0.000 -2.011) 5.687 4.141 ( 3.782 0.000 -5.810) 6.932 4.194 ( -4.641 0.000 -3.074) 5.566 4.258 ( 0.492 0.000 -2.596) 2.642 4.424 ( 4.983 0.000 1.998) 5.369 4.426 ( -1.360 0.000 -0.172) 1.371 4.486 ( 3.387 0.000 -4.183) 5.382 4.560 ( -2.421 0.000 2.487) 3.470 4.766 ( 2.393 0.000 -1.006) 2.596 4.940 ( -3.216 0.000 2.386) 4.004 4.967 ( -2.054 0.000 2.161) 2.981 5.034 ( -1.990 0.000 -1.995) 2.818 5.054 ( 1.744 0.000 8.332) 8.513 5.168 ( -2.413 0.000 -4.058) 4.721 5.279 ( -0.474 0.000 4.639) 4.664 5.314 ( -3.928 0.000 13.143) 13.717 5.425 ( -3.841 0.000 -10.014) 10.725 5.462 ( -3.473 0.000 6.631) 7.486 5.542 ( -4.186 0.000 -5.728) 7.095 5.740 ( 7.198 0.000 -2.141) 7.510 5.746 ( 3.047 0.000 3.546) 4.676 5.851 ( 5.463 0.000 4.827) 7.290 5.924 ( 3.226 0.000 -6.998) 7.706 6.044 ( 7.511 0.000 -3.139) 8.140 6.208 ( -7.439 0.000 6.521) 9.892 6.215 ( -4.220 0.000 6.350) 7.624 6.332 ( -0.718 0.000 8.214) 8.245 6.560 ( 6.420 0.000 2.950) 7.065 6.892 ( -2.141 0.000 -0.736) 2.264 7.035 ( 1.681 0.000 0.593) 1.782 7.083 ( 4.573 0.000 -3.960) 6.049 7.217 ( 2.458 0.000 -1.672) 2.973 7.266 ( 4.005 0.000 -1.681) 4.343 7.299 ( -0.658 0.000 -0.488) 0.819 7.411 ( -2.356 0.000 -2.372) 3.343 7.539 ( -1.955 0.000 0.715) 2.082 7.586 ( 0.469 0.000 -0.737) 0.874 7.838 ( -23.163 0.000 10.529) 25.443 8.006 ( -12.011 0.000 5.729) 13.307 9.671 ( 2.361 0.000 -3.282) 4.043 9.718 ( 5.377 0.000 -3.923) 6.656 9.726 ( 1.235 0.000 -5.785) 5.915 9.882 ( 0.202 0.000 -6.320) 6.323 9.981 ( 2.502 0.000 7.048) 7.479 10.014 ( 3.470 0.000 6.157) 7.067 10.116 ( -0.688 0.000 7.043) 7.077 10.199 ( -0.872 0.000 7.741) 7.790 10.767 ( 0.709 0.000 -0.920) 1.162 10.807 ( -0.601 0.000 -0.613) 0.858 11.059 ( -8.994 0.000 -1.836) 9.179 11.079 ( -9.325 0.000 -1.728) 9.484 11.729 ( 15.310 0.000 -0.468) 15.317 11.775 ( 16.826 0.000 0.760) 16.843 11.896 ( 5.142 0.000 2.193) 5.590 12.241 ( 16.245 0.000 -15.506) 22.457 12.341 ( -2.225 0.000 6.788) 7.143 12.695 ( 2.026 0.000 3.150) 3.745 13.145 ( -21.536 0.000 -0.009) 21.536 13.556 ( -27.472 0.000 15.041) 31.320 14.038 ( 3.499 0.000 -1.858) 3.962 14.133 ( -1.845 0.000 1.815) 2.588 14.173 ( 9.287 0.000 -14.683) 17.374 14.343 ( 1.501 0.000 0.633) 1.629 14.784 ( 17.927 0.000 5.685) 18.807 15.096 ( 0.761 0.000 8.000) 8.036 15.328 ( 2.400 0.000 2.263) 3.299 15.650 ( -8.206 0.000 -3.234) 8.821 15.665 ( -9.692 0.000 3.173) 10.199 15.756 ( -8.318 0.000 -3.489) 9.021 15.828 ( 2.875 0.000 0.818) 2.989 15.901 ( 7.282 0.000 -1.556) 7.446 15.966 ( -1.178 0.000 1.067) 1.589 16.184 ( 2.219 0.000 0.457) 2.265 16.192 ( -0.745 0.000 2.170) 2.295 16.279 ( 1.093 0.000 3.603) 3.765 16.289 ( -2.011 0.000 -1.590) 2.563 16.354 ( -3.338 0.000 -3.021) 4.502 16.911 ( 14.675 0.000 -17.042) 22.490 17.016 ( 1.354 0.000 -3.284) 3.552 17.914 ( 5.047 0.000 -3.955) 6.412 17.920 ( 2.700 0.000 0.396) 2.729 18.116 ( -2.803 0.000 -1.719) 3.288 18.196 ( -2.880 0.000 -3.441) 4.487 ======================= Grid point 27 (12/45) ======================= q-point: ( 0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 11.993 0.000 7.722) 14.264 0.789 ( -12.886 0.000 5.800) 14.131 1.003 ( 19.600 0.000 5.968) 20.489 1.066 ( 13.036 0.000 4.387) 13.754 1.151 ( 1.609 0.000 11.143) 11.259 1.327 ( 2.349 0.000 5.291) 5.789 1.335 ( -10.681 0.000 -0.911) 10.720 1.460 ( -10.183 0.000 0.605) 10.201 1.531 ( 22.363 0.000 7.236) 23.504 1.644 ( -3.751 0.000 3.543) 5.160 1.658 ( -1.194 0.000 1.569) 1.972 1.738 ( 23.377 0.000 -1.139) 23.404 1.862 ( 9.228 0.000 -1.632) 9.371 1.895 ( -11.749 0.000 -5.526) 12.983 2.013 ( -5.896 0.000 -5.923) 8.358 2.089 ( 3.205 0.000 -2.177) 3.875 2.101 ( -17.672 0.000 -3.403) 17.997 2.332 ( -18.752 0.000 2.828) 18.964 2.371 ( 8.056 0.000 1.191) 8.144 2.514 ( -5.540 0.000 3.827) 6.733 2.642 ( 1.613 0.000 3.400) 3.764 2.712 ( -4.440 0.000 -0.837) 4.518 2.811 ( 4.807 0.000 0.500) 4.833 2.842 ( 1.167 0.000 -1.307) 1.752 3.060 ( -1.503 0.000 -2.023) 2.521 3.107 ( -5.402 0.000 -3.294) 6.327 3.169 ( 7.466 0.000 1.506) 7.617 3.306 ( -6.141 0.000 0.793) 6.192 3.497 ( 1.656 0.000 0.488) 1.727 3.525 ( 1.312 0.000 4.419) 4.610 3.639 ( 8.431 0.000 -5.539) 10.088 3.648 ( 4.018 0.000 -6.917) 7.999 3.738 ( 1.852 0.000 -3.830) 4.254 3.797 ( 1.770 0.000 -2.273) 2.881 3.904 ( -2.562 0.000 -2.828) 3.816 3.946 ( -8.802 0.000 0.169) 8.804 3.957 ( -3.852 0.000 -2.251) 4.461 3.996 ( -4.768 0.000 0.704) 4.820 4.203 ( 3.058 0.000 -9.013) 9.518 4.206 ( 2.587 0.000 -7.194) 7.645 4.318 ( 4.133 0.000 -0.371) 4.149 4.387 ( -2.770 0.000 -0.618) 2.839 4.478 ( 1.297 0.000 4.222) 4.416 4.512 ( -2.383 0.000 3.524) 4.254 4.578 ( 6.635 0.000 -4.969) 8.289 4.711 ( -6.529 0.000 -8.020) 10.341 4.900 ( -0.606 0.000 -1.099) 1.255 4.926 ( -2.946 0.000 -1.410) 3.266 5.078 ( 0.937 0.000 5.121) 5.206 5.106 ( 2.000 0.000 1.396) 2.439 5.120 ( 5.090 0.000 1.359) 5.268 5.286 ( -0.275 0.000 10.467) 10.470 5.312 ( 4.291 0.000 6.482) 7.774 5.324 ( -6.516 0.000 -1.965) 6.806 5.374 ( -4.993 0.000 9.901) 11.089 5.420 ( -6.672 0.000 -2.298) 7.057 5.845 ( 5.579 0.000 -0.231) 5.584 5.881 ( 5.130 0.000 -2.586) 5.745 5.954 ( 0.736 0.000 -3.708) 3.780 5.980 ( 6.935 0.000 5.537) 8.874 6.059 ( -5.962 0.000 0.742) 6.008 6.123 ( -5.662 0.000 2.851) 6.340 6.186 ( 6.057 0.000 0.305) 6.065 6.285 ( -4.092 0.000 5.404) 6.779 6.703 ( 7.705 0.000 1.713) 7.893 6.826 ( -4.980 0.000 0.043) 4.981 7.099 ( 5.183 0.000 -1.554) 5.410 7.162 ( 1.663 0.000 -4.653) 4.941 7.278 ( -0.789 0.000 0.106) 0.797 7.280 ( 2.500 0.000 -1.315) 2.825 7.347 ( 3.064 0.000 -2.082) 3.704 7.358 ( -1.976 0.000 -1.084) 2.254 7.489 ( -2.884 0.000 1.797) 3.398 7.517 ( -9.617 0.000 7.174) 11.999 7.628 ( 4.887 0.000 0.236) 4.893 7.785 ( -11.049 0.000 2.360) 11.298 9.719 ( 2.156 0.000 -5.003) 5.448 9.741 ( -0.044 0.000 -6.026) 6.026 9.815 ( 4.222 0.000 -5.489) 6.925 9.871 ( -1.644 0.000 -6.329) 6.539 10.040 ( 3.290 0.000 7.413) 8.110 10.092 ( -2.002 0.000 7.475) 7.739 10.098 ( 4.732 0.000 7.320) 8.716 10.169 ( -2.511 0.000 7.545) 7.952 10.802 ( 3.403 0.000 -0.878) 3.514 10.824 ( 2.608 0.000 -0.970) 2.783 10.902 ( -7.026 0.000 -0.942) 7.089 10.916 ( -7.096 0.000 -0.832) 7.145 12.011 ( 5.797 0.000 0.281) 5.804 12.017 ( 9.928 0.000 -4.447) 10.878 12.120 ( 17.097 0.000 -2.079) 17.223 12.341 ( -4.081 0.000 -10.311) 11.089 12.345 ( 7.819 0.000 9.945) 12.650 12.697 ( -23.750 0.000 4.364) 24.148 12.766 ( 6.569 0.000 7.331) 9.843 13.028 ( -22.577 0.000 16.851) 28.173 14.067 ( 1.083 0.000 1.625) 1.953 14.095 ( -1.907 0.000 2.028) 2.784 14.373 ( 5.163 0.000 -15.310) 16.157 14.382 ( 2.110 0.000 -4.562) 5.027 15.146 ( 17.480 0.000 1.953) 17.589 15.212 ( 13.280 0.000 2.758) 13.563 15.391 ( 2.890 0.000 1.611) 3.309 15.438 ( -12.461 0.000 -0.295) 12.465 15.509 ( -6.799 0.000 2.965) 7.418 15.527 ( -15.143 0.000 -3.163) 15.470 15.889 ( 3.111 0.000 1.146) 3.315 15.937 ( -1.937 0.000 1.104) 2.230 16.053 ( 7.946 0.000 -3.603) 8.724 16.182 ( -4.545 0.000 -3.898) 5.988 16.211 ( 2.257 0.000 0.746) 2.377 16.254 ( -1.050 0.000 -0.139) 1.059 16.292 ( -1.765 0.000 2.389) 2.970 16.292 ( -0.053 0.000 3.594) 3.595 17.040 ( 2.020 0.000 -8.476) 8.713 17.043 ( 1.070 0.000 -4.731) 4.851 17.977 ( 3.526 0.000 -0.597) 3.577 18.018 ( 5.491 0.000 -3.924) 6.749 18.049 ( -3.937 0.000 -1.206) 4.118 18.120 ( -4.957 0.000 -3.538) 6.090 ======================= Grid point 30 (13/45) ======================= q-point: ( 0.00 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( 0.000 11.332 8.210) 13.993 0.554 ( 0.000 5.102 20.892) 21.506 0.731 ( 0.000 7.481 8.463) 11.295 0.821 ( 0.000 8.339 25.482) 26.812 0.962 ( 0.000 -4.425 7.789) 8.958 1.146 ( 0.000 -2.473 -1.758) 3.035 1.183 ( 0.000 8.024 0.996) 8.085 1.372 ( 0.000 -5.021 -4.693) 6.872 1.400 ( 0.000 -4.647 4.490) 6.462 1.578 ( 0.000 1.726 0.435) 1.779 1.647 ( 0.000 -0.750 4.660) 4.720 1.721 ( 0.000 -2.886 7.899) 8.410 1.829 ( 0.000 5.989 4.475) 7.477 1.991 ( 0.000 -1.455 3.103) 3.427 2.107 ( 0.000 -3.451 -3.271) 4.755 2.186 ( 0.000 -1.559 -3.213) 3.571 2.233 ( 0.000 -2.787 1.760) 3.296 2.393 ( 0.000 -5.197 -5.269) 7.401 2.591 ( 0.000 8.605 3.795) 9.404 2.603 ( 0.000 0.596 -1.271) 1.404 2.623 ( 0.000 0.662 0.926) 1.138 2.791 ( 0.000 -0.390 3.242) 3.265 2.846 ( 0.000 -1.638 0.733) 1.794 2.977 ( 0.000 3.658 0.916) 3.771 2.996 ( 0.000 -0.276 -4.789) 4.797 3.164 ( 0.000 -4.281 0.043) 4.281 3.201 ( 0.000 -1.847 2.657) 3.236 3.282 ( 0.000 10.259 -11.497) 15.409 3.320 ( 0.000 -1.325 -7.522) 7.637 3.463 ( 0.000 7.039 -3.813) 8.005 3.584 ( 0.000 -0.479 -0.683) 0.834 3.654 ( 0.000 0.418 -2.983) 3.013 3.754 ( 0.000 -1.595 -5.676) 5.896 3.763 ( 0.000 -0.968 -5.301) 5.388 3.957 ( 0.000 -3.278 -6.174) 6.991 3.980 ( 0.000 -0.572 -5.215) 5.247 4.027 ( 0.000 -1.540 -0.652) 1.672 4.072 ( 0.000 1.116 -4.870) 4.996 4.160 ( 0.000 -0.001 -2.242) 2.242 4.246 ( 0.000 -0.024 5.421) 5.421 4.310 ( 0.000 -1.393 -4.177) 4.403 4.337 ( 0.000 -4.662 -3.503) 5.832 4.451 ( 0.000 8.392 1.894) 8.603 4.495 ( 0.000 1.967 -0.349) 1.997 4.579 ( 0.000 -0.561 3.116) 3.166 4.740 ( 0.000 1.808 2.031) 2.719 4.918 ( 0.000 -3.079 0.923) 3.214 4.963 ( 0.000 -4.655 10.195) 11.208 5.083 ( 0.000 4.192 4.704) 6.300 5.098 ( 0.000 1.392 -3.632) 3.889 5.198 ( 0.000 -0.865 -6.725) 6.780 5.277 ( 0.000 -0.275 -1.466) 1.492 5.362 ( 0.000 1.263 3.557) 3.775 5.475 ( 0.000 -1.000 0.571) 1.152 5.504 ( 0.000 -1.651 -8.251) 8.415 5.527 ( 0.000 -1.361 2.735) 3.055 5.600 ( 0.000 -12.222 3.994) 12.858 5.726 ( 0.000 3.326 1.033) 3.483 5.778 ( 0.000 -4.631 6.348) 7.858 5.783 ( 0.000 3.771 4.575) 5.929 5.940 ( 0.000 -0.386 -3.555) 3.576 6.132 ( 0.000 -9.506 9.989) 13.789 6.302 ( 0.000 0.945 10.144) 10.188 6.324 ( 0.000 -0.405 7.838) 7.848 6.592 ( 0.000 7.532 0.436) 7.544 6.946 ( 0.000 1.735 -1.305) 2.172 7.004 ( 0.000 -0.337 1.830) 1.861 7.044 ( 0.000 1.000 -3.083) 3.241 7.148 ( 0.000 -1.767 -3.756) 4.151 7.273 ( 0.000 -2.757 -0.702) 2.845 7.346 ( 0.000 6.038 -3.535) 6.997 7.429 ( 0.000 -0.331 -2.364) 2.387 7.525 ( 0.000 -3.046 0.726) 3.131 7.568 ( 0.000 -1.375 -1.173) 1.807 8.053 ( 0.000 -0.989 2.811) 2.980 8.076 ( 0.000 -10.444 13.278) 16.893 9.649 ( 0.000 0.035 -2.776) 2.776 9.649 ( 0.000 0.104 -3.044) 3.046 9.801 ( 0.000 3.531 -8.417) 9.127 9.875 ( 0.000 -0.254 -5.985) 5.990 9.957 ( 0.000 0.054 6.775) 6.776 9.972 ( 0.000 -0.245 6.199) 6.204 10.134 ( 0.000 0.874 6.577) 6.635 10.200 ( 0.000 -0.631 7.657) 7.683 10.766 ( 0.000 0.402 -0.756) 0.856 10.815 ( 0.000 -1.238 -0.076) 1.241 11.181 ( 0.000 0.208 -3.664) 3.670 11.201 ( 0.000 -0.179 -3.406) 3.411 11.559 ( 0.000 0.448 1.455) 1.522 11.574 ( 0.000 -0.119 1.824) 1.828 11.843 ( 0.000 0.043 2.644) 2.644 11.846 ( 0.000 -0.086 2.868) 2.869 12.387 ( 0.000 1.939 5.924) 6.233 12.652 ( 0.000 -2.914 3.454) 4.519 13.395 ( 0.000 0.264 -2.723) 2.736 13.562 ( 0.000 -9.367 -0.543) 9.382 13.976 ( 0.000 0.247 -3.462) 3.471 14.091 ( 0.000 -8.488 11.389) 14.204 14.153 ( 0.000 -0.170 2.202) 2.208 14.295 ( 0.000 -2.844 2.262) 3.634 14.561 ( 0.000 0.651 11.346) 11.364 14.680 ( 0.000 -5.823 13.664) 14.853 15.650 ( 0.000 5.123 -5.281) 7.358 15.746 ( 0.000 1.516 -2.890) 3.263 15.769 ( 0.000 0.007 -2.449) 2.449 15.816 ( 0.000 -1.166 -1.340) 1.777 15.825 ( 0.000 1.811 0.487) 1.876 15.911 ( 0.000 0.410 0.506) 0.651 15.999 ( 0.000 1.904 0.435) 1.953 16.128 ( 0.000 1.009 -3.655) 3.792 16.235 ( 0.000 -0.624 1.168) 1.324 16.278 ( 0.000 -3.900 -1.568) 4.203 16.326 ( 0.000 2.651 -2.029) 3.338 16.522 ( 0.000 5.963 -6.316) 8.686 16.817 ( 0.000 12.111 -17.306) 21.123 16.944 ( 0.000 -4.911 -2.032) 5.315 17.859 ( 0.000 1.230 0.299) 1.265 17.898 ( 0.000 0.353 0.691) 0.776 18.162 ( 0.000 1.076 -1.644) 1.965 18.217 ( 0.000 -0.596 -3.038) 3.096 ======================= Grid point 31 (14/45) ======================= q-point: ( 0.20 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 6.718 11.552 5.205) 14.341 0.685 ( 13.076 5.884 12.424) 18.972 0.827 ( 12.147 4.264 3.868) 13.443 1.005 ( 10.392 -0.616 12.504) 16.271 1.052 ( -7.300 0.172 3.071) 7.921 1.175 ( 18.377 3.025 12.991) 22.707 1.277 ( 2.888 -3.497 1.229) 4.699 1.339 ( 7.237 0.893 1.561) 7.457 1.400 ( -0.828 -2.043 0.154) 2.209 1.591 ( -5.116 -1.635 4.128) 6.774 1.671 ( 4.804 -0.658 -0.259) 4.856 1.696 ( -0.453 -0.946 4.100) 4.232 1.820 ( -1.796 5.004 4.151) 6.745 2.015 ( 2.252 -2.258 -0.936) 3.324 2.078 ( -5.845 0.070 -3.848) 6.998 2.135 ( -4.797 1.352 -5.862) 7.695 2.199 ( 0.540 -5.117 2.527) 5.733 2.348 ( -5.733 -3.850 -5.797) 9.017 2.535 ( -6.030 0.425 4.788) 7.712 2.596 ( 1.540 4.999 2.474) 5.787 2.656 ( -1.810 -0.770 1.307) 2.361 2.791 ( -0.261 -0.461 -0.182) 0.560 2.885 ( 0.274 -0.445 -0.571) 0.774 2.895 ( -4.663 3.983 -2.271) 6.540 2.979 ( -0.052 4.351 2.732) 5.138 3.128 ( -2.270 -4.582 -0.232) 5.118 3.242 ( -2.197 5.250 -8.401) 10.147 3.299 ( 7.275 -1.272 1.039) 7.458 3.382 ( 6.572 -1.630 -2.553) 7.237 3.480 ( 0.394 4.925 -0.577) 4.975 3.567 ( -1.017 -0.043 0.626) 1.194 3.594 ( -4.496 -2.890 -2.646) 5.964 3.722 ( -2.334 -1.838 -7.255) 7.840 3.772 ( 0.100 -0.288 -6.080) 6.088 3.932 ( -2.322 -3.503 -5.780) 7.147 4.022 ( 2.377 -0.399 -4.511) 5.114 4.033 ( -0.040 1.351 -3.052) 3.338 4.090 ( 1.691 -1.400 -4.336) 4.860 4.128 ( -4.307 0.789 -0.176) 4.382 4.222 ( -2.529 0.891 -4.244) 5.020 4.260 ( 1.573 0.261 0.263) 1.616 4.382 ( 1.653 -2.912 -1.025) 3.502 4.483 ( -1.109 1.498 1.711) 2.530 4.517 ( 5.054 5.332 -0.184) 7.348 4.552 ( -2.539 -0.582 1.937) 3.246 4.778 ( 1.814 0.940 -1.656) 2.630 4.888 ( -2.323 -2.860 0.736) 3.757 4.960 ( -0.926 -2.072 4.030) 4.625 5.041 ( -0.422 -0.606 3.997) 4.065 5.073 ( -3.231 2.094 -2.264) 4.467 5.178 ( -0.281 0.952 -0.616) 1.168 5.242 ( -3.762 -1.990 6.975) 8.170 5.344 ( -1.800 1.751 9.796) 10.113 5.422 ( -2.634 -0.442 -3.632) 4.509 5.448 ( -3.185 -0.846 0.807) 3.393 5.525 ( -1.879 -1.760 -6.805) 7.276 5.706 ( 5.791 -3.938 -1.723) 7.212 5.726 ( 1.219 0.341 2.722) 3.002 5.843 ( 6.135 -2.311 4.816) 8.135 5.897 ( 8.918 -0.174 2.919) 9.385 5.996 ( 5.132 -1.632 -4.307) 6.895 6.089 ( -4.346 -7.523 7.071) 11.202 6.258 ( -3.566 1.724 6.011) 7.199 6.325 ( -0.791 -0.658 8.252) 8.316 6.643 ( 5.158 6.562 1.564) 8.492 6.936 ( -1.443 3.343 -1.121) 3.810 7.021 ( 2.095 -1.198 1.144) 2.671 7.090 ( 4.248 0.635 -3.844) 5.764 7.172 ( 2.539 -1.956 -2.828) 4.274 7.267 ( -0.750 -2.807 -0.557) 2.958 7.358 ( 1.500 4.994 -2.912) 5.972 7.407 ( -2.050 -0.110 -1.934) 2.821 7.489 ( -3.700 -3.628 1.420) 5.373 7.572 ( 0.565 -1.284 -1.048) 1.751 7.846 ( -14.999 1.166 9.337) 17.706 7.979 ( -9.153 -1.778 4.529) 10.366 9.675 ( 2.974 0.508 -3.486) 4.610 9.715 ( 5.097 -0.269 -3.890) 6.417 9.780 ( -0.787 3.363 -6.536) 7.393 9.879 ( 0.132 -0.321 -6.287) 6.296 9.982 ( 2.591 0.139 6.976) 7.443 10.008 ( 3.411 -0.485 6.342) 7.217 10.126 ( -0.775 0.834 7.013) 7.105 10.192 ( -0.843 -0.597 7.641) 7.711 10.770 ( 0.645 0.334 -0.896) 1.153 10.802 ( -0.253 -0.382 -0.670) 0.812 11.063 ( -9.056 0.270 -1.926) 9.262 11.078 ( -9.292 -0.098 -1.768) 9.459 11.734 ( 15.261 0.421 -0.478) 15.274 11.770 ( 16.602 -0.371 0.560) 16.616 11.904 ( 5.896 0.764 2.183) 6.333 12.135 ( 17.099 -7.348 -7.231) 19.967 12.364 ( -2.104 2.083 6.838) 7.451 12.661 ( 0.925 -3.488 4.020) 5.402 13.150 ( -21.340 0.450 0.279) 21.346 13.377 ( -21.457 -11.136 14.092) 27.982 14.036 ( 3.458 -0.133 -1.872) 3.934 14.083 ( 7.159 -3.869 -5.730) 9.953 14.133 ( -1.616 0.135 1.783) 2.410 14.297 ( 0.313 -3.785 1.094) 3.952 14.768 ( 17.220 -0.991 6.603) 18.469 14.854 ( 14.179 -5.540 8.970) 17.669 15.597 ( -4.019 8.483 -4.299) 10.325 15.642 ( -8.449 0.546 -2.946) 8.965 15.729 ( -7.914 -1.047 -2.789) 8.456 15.833 ( -1.340 3.590 0.039) 3.832 15.862 ( 1.901 4.452 -1.004) 4.944 15.889 ( 2.672 0.760 0.678) 2.860 15.989 ( -0.923 2.154 0.399) 2.377 16.140 ( -0.030 -1.847 -0.312) 1.874 16.205 ( -1.939 -1.656 -1.167) 2.805 16.218 ( -0.851 -0.728 0.731) 1.338 16.330 ( -0.693 3.502 -1.412) 3.839 16.496 ( -1.687 8.230 -2.022) 8.641 16.850 ( 1.627 -4.620 -11.359) 12.370 17.013 ( 4.527 -2.041 -4.738) 6.863 17.909 ( 3.903 0.004 -1.356) 4.131 17.925 ( 3.036 0.409 -0.237) 3.072 18.131 ( -3.050 0.990 -1.424) 3.509 18.190 ( -2.877 -0.603 -2.982) 4.187 ======================= Grid point 32 (15/45) ======================= q-point: ( 0.40 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 8.858 9.117 4.765) 13.575 0.846 ( -10.001 4.770 4.439) 11.936 1.020 ( 15.999 0.941 3.107) 16.325 1.075 ( 11.149 1.008 3.520) 11.735 1.129 ( 2.861 -1.129 5.786) 6.552 1.286 ( -3.466 -4.181 -0.221) 5.435 1.349 ( -1.589 1.017 5.626) 5.934 1.424 ( -7.133 -2.931 1.894) 7.941 1.544 ( 13.348 1.176 7.666) 15.437 1.638 ( -1.475 1.126 1.084) 2.149 1.688 ( 18.731 -2.849 3.226) 19.220 1.753 ( 4.454 4.892 1.274) 6.737 1.838 ( 4.205 -1.155 -1.163) 4.513 1.912 ( -9.493 1.279 -5.919) 11.260 2.030 ( -4.014 0.504 -7.322) 8.366 2.066 ( -3.236 -1.562 -2.827) 4.572 2.108 ( -13.006 0.799 -1.531) 13.120 2.253 ( 2.047 -3.087 1.473) 3.987 2.446 ( -12.863 -0.838 3.378) 13.325 2.470 ( -1.713 -2.112 4.123) 4.939 2.655 ( 4.462 3.555 1.915) 6.018 2.760 ( -4.182 4.012 0.015) 5.796 2.888 ( 3.241 4.241 -0.820) 5.400 2.893 ( 1.141 4.609 -0.218) 4.753 3.009 ( 0.970 -1.580 1.243) 2.232 3.069 ( -4.133 -3.799 0.936) 5.691 3.226 ( 1.461 3.801 -4.968) 6.423 3.348 ( -2.577 2.200 -1.519) 3.713 3.454 ( 0.660 -3.178 1.916) 3.770 3.477 ( -1.335 -3.601 2.746) 4.722 3.601 ( 4.965 -3.261 -4.815) 7.647 3.637 ( 5.441 -0.761 -3.711) 6.630 3.717 ( 2.588 -1.123 -2.909) 4.052 3.746 ( 1.074 -3.266 -4.151) 5.389 3.916 ( -7.121 -0.625 -3.390) 7.911 3.932 ( -0.995 1.155 -1.783) 2.346 3.961 ( -7.213 0.261 -2.120) 7.523 4.079 ( -0.521 4.641 0.424) 4.690 4.165 ( 3.437 -2.104 -7.652) 8.648 4.219 ( 0.787 0.219 -7.321) 7.366 4.322 ( 3.795 0.271 0.177) 3.809 4.395 ( -0.762 0.424 -0.046) 0.873 4.461 ( -0.180 -1.477 4.039) 4.305 4.499 ( -2.669 -1.038 3.099) 4.220 4.618 ( 5.334 3.577 -3.706) 7.415 4.730 ( -5.206 1.715 -6.938) 8.842 4.849 ( -1.428 -3.063 -1.918) 3.886 4.955 ( -0.868 0.428 -0.572) 1.124 5.049 ( 1.662 -1.646 3.269) 4.020 5.114 ( -3.410 0.235 0.996) 3.561 5.117 ( 6.693 -0.204 3.481) 7.547 5.256 ( 2.815 -1.595 8.332) 8.938 5.315 ( -7.237 -0.586 2.859) 7.803 5.338 ( 1.128 0.976 5.232) 5.440 5.386 ( -3.394 1.280 2.336) 4.314 5.435 ( -5.312 0.897 0.949) 5.470 5.767 ( 2.008 -3.510 -1.605) 4.351 5.846 ( 7.652 -3.066 0.046) 8.243 5.956 ( 4.067 -3.106 5.610) 7.593 5.983 ( -5.539 -4.511 2.200) 7.474 6.019 ( 2.634 3.114 -2.493) 4.780 6.104 ( 4.808 -1.229 1.029) 5.068 6.195 ( -2.081 0.975 2.015) 3.056 6.283 ( -3.086 -0.649 5.086) 5.985 6.767 ( 6.968 5.344 1.357) 8.886 6.882 ( -4.366 4.662 0.014) 6.388 7.093 ( 5.314 -0.957 -0.686) 5.443 7.163 ( 1.076 -0.095 -4.038) 4.180 7.230 ( 1.810 -2.878 -1.388) 3.672 7.255 ( 1.742 -2.068 -0.914) 2.854 7.332 ( -4.059 -0.715 -2.000) 4.581 7.386 ( -4.811 -2.989 3.411) 6.612 7.430 ( 2.545 2.945 -2.436) 4.592 7.610 ( 3.715 -1.217 -0.344) 3.924 7.629 ( -6.382 4.898 4.878) 9.409 7.782 ( -9.789 -0.360 2.856) 10.204 9.733 ( 2.638 1.218 -5.180) 5.939 9.768 ( -0.785 2.080 -6.165) 6.554 9.810 ( 4.086 -0.430 -5.517) 6.879 9.866 ( -1.702 -0.454 -6.324) 6.565 10.044 ( 3.407 0.361 7.338) 8.098 10.090 ( 4.452 -0.614 7.327) 8.596 10.101 ( -1.913 0.713 7.466) 7.740 10.163 ( -2.421 -0.551 7.541) 7.939 10.804 ( 3.338 0.217 -0.876) 3.458 10.822 ( 2.689 -0.172 -0.954) 2.859 10.904 ( -7.070 0.170 -0.947) 7.135 10.915 ( -7.113 -0.071 -0.841) 7.163 11.999 ( 7.235 0.095 -2.910) 7.799 12.061 ( 9.838 2.741 -1.419) 10.311 12.108 ( 16.036 -1.138 -2.872) 16.331 12.300 ( 0.389 -3.301 -7.037) 7.782 12.365 ( 6.668 1.597 8.996) 11.311 12.671 ( -8.516 -3.576 6.985) 11.580 12.728 ( -11.804 -1.417 5.342) 13.034 12.936 ( -19.531 -7.324 16.795) 26.780 14.067 ( 1.174 0.120 1.329) 1.777 14.097 ( -1.759 0.325 1.932) 2.633 14.242 ( 4.754 -7.046 -6.852) 10.918 14.310 ( 0.921 -6.840 -2.913) 7.491 15.109 ( 17.460 -1.129 1.618) 17.571 15.172 ( 18.748 -1.352 -0.202) 18.798 15.421 ( -14.573 0.378 -2.795) 14.843 15.502 ( -13.764 0.621 -2.932) 14.087 15.544 ( -3.233 8.265 -3.093) 9.398 15.747 ( -3.281 12.533 4.639) 13.761 15.915 ( 2.732 2.680 0.274) 3.837 15.963 ( -1.210 2.343 0.847) 2.770 16.001 ( 5.990 -3.546 -1.888) 7.213 16.110 ( -4.457 -5.435 -1.227) 7.135 16.188 ( 1.589 -1.472 0.189) 2.175 16.228 ( -0.422 -1.527 0.357) 1.623 16.315 ( -0.256 5.307 -2.548) 5.892 16.470 ( -0.790 9.349 2.605) 9.737 16.872 ( 0.623 -9.421 -9.400) 13.323 17.067 ( 1.310 -3.136 -2.330) 4.120 17.978 ( 3.809 0.277 -0.587) 3.863 18.010 ( 4.882 -0.412 -2.580) 5.537 18.060 ( -3.939 0.684 -1.082) 4.142 18.114 ( -4.794 -0.538 -2.776) 5.566 ======================= Grid point 35 (16/45) ======================= q-point: ( 0.00 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 0.000 5.808 15.240) 16.309 0.682 ( 0.000 8.998 4.905) 10.248 0.860 ( 0.000 -3.779 12.352) 12.917 0.869 ( 0.000 1.380 5.789) 5.952 1.031 ( 0.000 9.603 10.479) 14.214 1.105 ( 0.000 1.702 0.139) 1.708 1.228 ( 0.000 -7.896 -0.725) 7.929 1.242 ( 0.000 -7.125 -1.473) 7.276 1.403 ( 0.000 8.971 2.456) 9.301 1.574 ( 0.000 -4.854 1.060) 4.968 1.657 ( 0.000 0.917 3.207) 3.336 1.662 ( 0.000 -0.364 4.102) 4.118 1.960 ( 0.000 -0.533 3.810) 3.847 1.970 ( 0.000 5.181 2.973) 5.973 2.010 ( 0.000 -2.271 2.473) 3.357 2.120 ( 0.000 -4.970 0.366) 4.983 2.228 ( 0.000 1.272 -1.355) 1.858 2.281 ( 0.000 -3.990 -3.243) 5.142 2.616 ( 0.000 0.660 -0.328) 0.737 2.627 ( 0.000 -0.267 0.581) 0.639 2.782 ( 0.000 7.080 2.998) 7.689 2.784 ( 0.000 0.008 2.483) 2.483 2.806 ( 0.000 0.134 2.748) 2.751 2.957 ( 0.000 -5.602 1.123) 5.713 3.053 ( 0.000 3.389 1.482) 3.699 3.103 ( 0.000 0.063 -1.882) 1.883 3.152 ( 0.000 -1.421 0.244) 1.442 3.219 ( 0.000 -5.037 -5.989) 7.825 3.496 ( 0.000 6.015 -12.494) 13.867 3.559 ( 0.000 -0.860 -6.099) 6.159 3.618 ( 0.000 5.397 -1.737) 5.670 3.703 ( 0.000 3.591 -4.763) 5.965 3.705 ( 0.000 -2.933 -3.886) 4.868 3.748 ( 0.000 -0.197 -4.339) 4.343 3.875 ( 0.000 -3.434 -5.912) 6.837 3.888 ( 0.000 -4.390 -6.946) 8.217 4.075 ( 0.000 2.254 -3.248) 3.953 4.091 ( 0.000 0.389 -4.740) 4.756 4.172 ( 0.000 1.653 -1.088) 1.979 4.240 ( 0.000 -4.107 -2.042) 4.587 4.251 ( 0.000 0.603 1.931) 2.023 4.275 ( 0.000 -1.532 -1.801) 2.365 4.529 ( 0.000 1.310 3.087) 3.354 4.555 ( 0.000 -0.869 5.325) 5.395 4.649 ( 0.000 8.265 0.036) 8.265 4.776 ( 0.000 -0.238 -0.310) 0.391 4.849 ( 0.000 -4.298 6.544) 7.829 4.859 ( 0.000 -2.366 0.710) 2.470 5.129 ( 0.000 1.508 -5.846) 6.037 5.157 ( 0.000 0.332 -7.357) 7.364 5.184 ( 0.000 1.872 8.736) 8.934 5.249 ( 0.000 -2.506 5.962) 6.467 5.385 ( 0.000 0.816 -2.713) 2.833 5.422 ( 0.000 -3.421 -3.821) 5.128 5.467 ( 0.000 0.108 1.084) 1.089 5.480 ( 0.000 -1.340 -0.249) 1.363 5.545 ( 0.000 3.591 4.837) 6.024 5.661 ( 0.000 -5.985 5.536) 8.153 5.800 ( 0.000 3.759 2.997) 4.808 5.881 ( 0.000 4.534 1.884) 4.910 5.892 ( 0.000 -4.131 2.612) 4.888 5.975 ( 0.000 -4.701 2.545) 5.345 6.311 ( 0.000 0.116 9.958) 9.958 6.315 ( 0.000 -0.347 8.802) 8.809 6.761 ( 0.000 7.284 -0.117) 7.285 6.896 ( 0.000 -4.900 -0.048) 4.900 7.069 ( 0.000 2.464 -1.789) 3.045 7.083 ( 0.000 4.426 -1.743) 4.757 7.110 ( 0.000 -1.800 -3.818) 4.221 7.192 ( 0.000 -4.605 -0.706) 4.659 7.427 ( 0.000 0.373 -1.347) 1.398 7.453 ( 0.000 2.673 -4.224) 4.999 7.457 ( 0.000 -1.183 1.584) 1.976 7.525 ( 0.000 -2.601 -1.766) 3.144 7.994 ( 0.000 0.327 8.653) 8.659 8.023 ( 0.000 -1.664 4.705) 4.991 9.651 ( 0.000 0.089 -2.941) 2.942 9.651 ( 0.000 0.046 -3.036) 3.036 9.847 ( 0.000 1.209 -6.625) 6.734 9.866 ( 0.000 -0.576 -6.017) 6.045 9.960 ( 0.000 0.209 6.530) 6.533 9.965 ( 0.000 -0.315 6.323) 6.330 10.156 ( 0.000 1.148 6.900) 6.995 10.181 ( 0.000 -1.059 7.334) 7.410 10.778 ( 0.000 0.651 -0.641) 0.914 10.794 ( 0.000 -0.800 -0.393) 0.891 11.187 ( 0.000 0.339 -3.597) 3.613 11.195 ( 0.000 -0.335 -3.500) 3.516 11.566 ( 0.000 0.239 1.483) 1.502 11.571 ( 0.000 -0.185 1.673) 1.683 11.844 ( 0.000 0.046 2.667) 2.667 11.845 ( 0.000 -0.037 2.727) 2.727 12.452 ( 0.000 4.035 6.009) 7.238 12.556 ( 0.000 -5.168 5.491) 7.541 13.404 ( 0.000 0.719 -2.012) 2.137 13.437 ( 0.000 -2.758 0.074) 2.759 13.984 ( 0.000 0.552 -2.649) 2.705 14.004 ( 0.000 -1.583 0.152) 1.590 14.168 ( 0.000 1.645 1.951) 2.552 14.224 ( 0.000 -3.262 2.085) 3.871 14.581 ( 0.000 1.230 11.413) 11.479 14.614 ( 0.000 -1.852 11.738) 11.884 15.711 ( 0.000 1.883 -2.720) 3.309 15.750 ( 0.000 -1.615 -2.443) 2.929 15.784 ( 0.000 1.442 -0.983) 1.745 15.801 ( 0.000 -0.342 -0.018) 0.343 15.859 ( 0.000 1.734 -0.210) 1.747 15.899 ( 0.000 -1.491 -0.802) 1.693 16.061 ( 0.000 3.367 -1.143) 3.556 16.125 ( 0.000 -1.925 -2.769) 3.372 16.220 ( 0.000 -0.529 0.769) 0.934 16.223 ( 0.000 -1.137 -0.008) 1.137 16.453 ( 0.000 8.198 -6.131) 10.237 16.594 ( 0.000 -1.766 -10.177) 10.329 16.847 ( 0.000 -1.322 -0.324) 1.361 16.887 ( 0.000 -2.109 -7.642) 7.928 17.888 ( 0.000 1.188 0.464) 1.276 17.903 ( 0.000 -0.128 0.441) 0.459 18.183 ( 0.000 0.855 -1.446) 1.679 18.201 ( 0.000 -0.823 -2.189) 2.338 ======================= Grid point 36 (17/45) ======================= q-point: ( 0.20 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 8.885 9.821 1.453) 13.323 0.846 ( 7.041 8.307 7.074) 12.986 0.894 ( 10.246 -0.741 1.394) 10.367 0.991 ( 8.436 -1.925 7.023) 11.144 1.047 ( -1.885 0.265 1.941) 2.719 1.139 ( -3.419 -7.131 -2.588) 8.322 1.222 ( 14.442 3.462 10.807) 18.367 1.323 ( 5.004 -4.596 4.544) 8.173 1.458 ( 2.757 6.530 6.440) 9.577 1.559 ( -4.122 -2.062 4.277) 6.288 1.652 ( 1.350 -0.936 1.574) 2.275 1.668 ( 3.222 -1.143 -1.107) 3.593 1.935 ( -1.404 4.085 1.691) 4.638 1.989 ( 1.222 0.094 -0.059) 1.227 2.046 ( 1.509 -1.197 1.124) 2.230 2.113 ( 0.790 -3.541 2.518) 4.416 2.173 ( -5.882 2.105 -6.032) 8.684 2.240 ( -5.388 -4.613 -6.457) 9.592 2.548 ( -6.770 1.019 4.568) 8.231 2.582 ( -5.240 -2.063 4.049) 6.936 2.768 ( -0.938 3.520 0.950) 3.764 2.801 ( 1.230 1.792 1.541) 2.665 2.828 ( 3.392 0.737 2.732) 4.418 2.967 ( 0.604 -5.238 0.756) 5.327 3.070 ( -3.297 4.792 -0.434) 5.833 3.093 ( 1.043 5.165 -0.086) 5.270 3.201 ( 5.359 -4.065 -0.555) 6.749 3.248 ( 2.563 -5.876 -2.113) 6.750 3.453 ( -1.704 4.878 -8.131) 9.634 3.516 ( -2.486 -1.895 -5.125) 6.003 3.590 ( -3.486 4.379 -0.671) 5.637 3.622 ( -4.584 3.714 -1.614) 6.117 3.673 ( -2.456 -2.781 -4.081) 5.515 3.722 ( -4.850 -4.484 -5.084) 8.335 3.902 ( 5.116 1.458 -7.685) 9.347 3.969 ( 6.048 -3.641 -7.756) 10.488 4.056 ( -4.240 0.605 -3.938) 5.818 4.069 ( -3.561 -0.583 -3.628) 5.117 4.172 ( 0.693 2.753 -0.506) 2.884 4.220 ( -0.476 -1.137 -3.368) 3.586 4.272 ( 2.313 0.966 0.961) 2.684 4.313 ( 3.011 -2.878 -0.291) 4.175 4.505 ( -2.367 1.031 3.076) 4.016 4.529 ( -2.531 -1.140 3.872) 4.764 4.678 ( 2.549 7.598 0.670) 8.042 4.793 ( 0.914 -0.967 -1.827) 2.260 4.835 ( -1.440 -1.202 0.038) 1.876 4.879 ( 1.187 -4.307 2.653) 5.196 5.046 ( -3.527 1.072 0.079) 3.687 5.078 ( -4.582 -1.386 -1.704) 5.082 5.208 ( 0.512 1.321 3.459) 3.738 5.221 ( -3.005 -0.192 3.293) 4.463 5.377 ( -2.091 1.147 8.345) 8.679 5.399 ( -2.815 -1.196 5.324) 6.140 5.447 ( -0.183 0.734 -6.179) 6.225 5.477 ( -0.086 -2.027 -6.453) 6.764 5.664 ( 7.000 0.787 0.908) 7.102 5.724 ( 2.936 -3.322 3.142) 5.434 5.789 ( 2.239 2.157 5.896) 6.665 5.887 ( 1.042 -5.744 6.032) 8.394 5.956 ( 5.593 2.506 0.564) 6.154 6.005 ( 3.399 -1.700 -2.041) 4.314 6.283 ( -2.564 0.911 7.258) 7.751 6.305 ( -1.548 -1.076 8.124) 8.340 6.799 ( 4.049 6.999 0.587) 8.107 6.928 ( 3.398 -4.427 -0.053) 5.581 7.065 ( -1.313 4.967 0.263) 5.144 7.109 ( 3.153 1.039 -3.871) 5.100 7.137 ( 2.555 -1.311 -3.287) 4.364 7.184 ( -0.693 -4.556 -0.730) 4.666 7.398 ( -2.965 0.244 -1.282) 3.239 7.421 ( -3.600 -2.127 0.638) 4.229 7.463 ( 1.200 3.733 -2.623) 4.717 7.530 ( 0.823 -2.491 -1.771) 3.165 7.888 ( -9.265 2.355 6.477) 11.547 7.938 ( -8.316 -2.094 4.552) 9.709 9.690 ( 3.816 0.787 -3.716) 5.384 9.706 ( 4.602 -0.581 -3.849) 6.028 9.838 ( -0.760 1.872 -6.472) 6.780 9.866 ( -0.147 -0.845 -6.281) 6.340 9.987 ( 2.830 0.333 6.819) 7.390 9.997 ( 3.149 -0.507 6.617) 7.345 10.149 ( -0.810 1.166 7.140) 7.280 10.174 ( -0.805 -1.047 7.405) 7.521 10.780 ( 0.465 0.523 -0.845) 1.097 10.792 ( 0.182 -0.530 -0.773) 0.955 11.069 ( -9.100 0.274 -1.945) 9.310 11.074 ( -9.189 -0.204 -1.859) 9.378 11.746 ( 15.444 0.621 -0.343) 15.461 11.760 ( 16.027 -0.600 0.078) 16.038 11.933 ( 8.297 1.985 1.872) 8.734 12.000 ( 12.726 -4.498 -0.044) 13.498 12.435 ( -1.632 4.446 6.883) 8.355 12.551 ( -0.470 -5.855 6.234) 8.565 13.165 ( -21.016 1.133 1.721) 21.117 13.214 ( -20.418 -3.995 6.116) 21.686 14.034 ( 3.360 0.003 -1.838) 3.830 14.040 ( 3.843 -0.720 -2.163) 4.469 14.151 ( -1.566 1.705 1.843) 2.959 14.210 ( -1.260 -3.644 1.626) 4.185 14.765 ( 16.422 0.719 6.302) 17.604 14.792 ( 16.109 -1.686 6.325) 17.388 15.662 ( -7.643 1.260 -2.882) 8.265 15.692 ( -6.680 -1.305 -3.136) 7.494 15.746 ( -1.272 4.753 -2.193) 5.387 15.826 ( 2.825 -2.500 -1.374) 4.014 15.893 ( 2.431 1.815 1.123) 3.235 15.931 ( 3.270 -1.034 0.505) 3.467 16.059 ( -0.266 3.965 -0.818) 4.057 16.132 ( -0.657 -0.973 -1.952) 2.278 16.164 ( -4.270 -0.459 -0.472) 4.320 16.195 ( -2.181 -1.573 0.291) 2.705 16.460 ( 0.340 7.797 -5.902) 9.785 16.604 ( 1.171 -2.077 -9.031) 9.340 16.782 ( -4.337 2.280 -1.627) 5.164 16.911 ( 0.962 -6.591 -2.337) 7.059 17.920 ( 2.991 0.722 -0.059) 3.077 17.930 ( 2.764 -0.105 -0.060) 2.767 18.152 ( -3.077 0.944 -1.321) 3.479 18.172 ( -2.938 -0.908 -2.018) 3.678 ======================= Grid point 37 (18/45) ======================= q-point: ( 0.40 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 4.114 9.503 0.545) 10.370 0.965 ( -3.051 5.451 1.481) 6.420 1.010 ( 4.525 -2.266 0.205) 5.065 1.085 ( 4.010 -2.498 -2.500) 5.345 1.128 ( 6.373 1.186 0.398) 6.495 1.174 ( 8.327 -4.314 0.904) 9.422 1.351 ( -5.346 -0.205 5.718) 7.830 1.370 ( -5.711 -1.795 5.684) 8.255 1.571 ( 12.757 1.323 6.908) 14.567 1.614 ( 15.013 -2.734 4.357) 15.870 1.697 ( 1.756 3.569 3.659) 5.405 1.773 ( 3.973 -2.792 1.309) 5.029 1.897 ( -1.429 4.864 0.540) 5.098 1.941 ( -5.887 0.944 -4.809) 7.660 2.023 ( -9.411 -0.708 -8.602) 12.770 2.032 ( -7.988 -1.695 -6.314) 10.323 2.136 ( 0.862 1.773 0.495) 2.033 2.190 ( 7.982 -2.942 0.898) 8.554 2.398 ( -10.224 -0.822 4.637) 11.256 2.422 ( -7.015 -2.437 4.781) 8.832 2.760 ( 0.209 4.816 0.484) 4.845 2.851 ( 2.650 1.155 2.453) 3.792 2.871 ( 0.632 -0.825 2.028) 2.278 2.962 ( -1.064 -4.535 2.230) 5.164 3.051 ( 1.419 9.034 -1.292) 9.236 3.104 ( -0.280 6.711 1.673) 6.922 3.232 ( 0.625 -4.561 -2.805) 5.391 3.269 ( -0.949 -7.722 -0.749) 7.816 3.446 ( -0.869 2.722 -2.890) 4.064 3.490 ( -3.962 4.438 -1.673) 6.180 3.526 ( 1.804 -3.575 -6.424) 7.570 3.592 ( -4.633 -3.731 -3.419) 6.861 3.689 ( 7.486 -0.584 -1.958) 7.760 3.703 ( 7.501 -1.116 -0.338) 7.591 3.903 ( -10.606 0.488 -1.648) 10.744 3.931 ( -8.798 -1.510 -1.218) 9.009 4.010 ( 3.959 3.586 -6.837) 8.677 4.087 ( 5.043 -3.209 -7.106) 9.286 4.181 ( -0.815 2.714 -2.038) 3.491 4.216 ( -0.319 -0.605 -4.618) 4.668 4.336 ( 3.706 1.294 0.580) 3.968 4.378 ( 3.644 -2.116 1.538) 4.486 4.446 ( -3.545 0.615 3.178) 4.800 4.471 ( -3.123 -1.370 3.328) 4.765 4.705 ( -0.385 3.676 -4.122) 5.537 4.778 ( -1.790 -3.062 -3.491) 4.977 4.797 ( -0.534 4.375 -2.409) 5.023 4.905 ( 1.116 -4.511 0.761) 4.709 5.047 ( 2.328 1.272 2.097) 3.381 5.084 ( 4.372 -1.900 3.606) 5.977 5.148 ( -3.610 2.308 1.325) 4.485 5.209 ( -1.737 -2.883 3.833) 5.101 5.319 ( -2.924 0.946 2.948) 4.259 5.340 ( -1.813 -0.687 2.463) 3.134 5.423 ( -1.860 1.760 2.210) 3.383 5.446 ( -2.155 -0.146 3.225) 3.882 5.741 ( 1.246 0.956 0.881) 1.801 5.783 ( 4.093 -2.509 1.382) 4.996 5.872 ( 2.532 -2.411 3.116) 4.683 5.888 ( -0.248 -3.531 3.629) 5.070 6.076 ( 3.848 1.852 -0.987) 4.383 6.097 ( 6.842 -0.190 0.074) 6.845 6.218 ( -4.136 1.296 3.683) 5.688 6.254 ( -3.151 -1.802 4.920) 6.114 6.904 ( 6.199 6.534 0.860) 9.047 6.997 ( -0.621 3.809 -0.616) 3.908 7.041 ( 2.661 -2.339 1.163) 3.729 7.125 ( -3.102 -4.098 -0.973) 5.231 7.195 ( 3.501 0.161 -3.232) 4.767 7.213 ( 4.347 -1.362 -2.629) 5.260 7.319 ( -5.125 -0.260 -1.175) 5.265 7.331 ( -4.872 -1.523 1.124) 5.227 7.506 ( 2.819 3.298 -2.682) 5.101 7.568 ( 3.083 -2.419 -1.865) 4.340 7.718 ( -6.707 3.061 4.482) 8.628 7.765 ( -7.804 -1.352 3.736) 8.757 9.765 ( 3.480 1.504 -5.403) 6.601 9.793 ( 3.910 -0.914 -5.481) 6.794 9.817 ( -1.633 1.844 -6.355) 6.815 9.850 ( -1.827 -1.103 -6.334) 6.684 10.056 ( 3.770 0.708 7.223) 8.178 10.073 ( 4.230 -0.851 7.208) 8.401 10.121 ( -2.172 1.122 7.545) 7.931 10.146 ( -2.287 -1.020 7.539) 7.944 10.810 ( 3.152 0.316 -0.883) 3.289 10.817 ( 2.901 -0.288 -0.916) 3.055 10.909 ( -7.128 0.198 -0.929) 7.191 10.912 ( -7.138 -0.141 -0.877) 7.193 12.019 ( 8.589 1.771 -4.165) 9.708 12.068 ( 12.377 -2.358 -4.511) 13.383 12.131 ( 11.530 3.553 -0.863) 12.096 12.214 ( 8.558 -4.053 -2.842) 9.886 12.427 ( 4.244 4.313 10.434) 12.062 12.551 ( 1.693 -6.450 9.586) 11.678 12.729 ( -22.549 1.120 6.386) 23.462 12.788 ( -21.095 -4.835 11.772) 24.636 14.079 ( 1.924 1.122 0.408) 2.264 14.116 ( -1.413 1.391 1.280) 2.360 14.127 ( 3.424 -3.210 -1.537) 4.939 14.180 ( -1.960 -4.392 0.263) 4.817 15.113 ( 18.816 1.035 -0.156) 18.845 15.142 ( 19.164 -1.456 -0.481) 19.225 15.442 ( -14.996 1.379 -3.122) 15.380 15.476 ( -15.126 -1.618 -3.090) 15.523 15.751 ( 0.768 8.442 -3.556) 9.193 15.893 ( 3.247 -2.468 -0.784) 4.153 15.916 ( -0.002 0.656 1.920) 2.029 15.978 ( 0.243 -2.169 0.735) 2.303 16.045 ( -1.006 4.186 -0.513) 4.336 16.065 ( -2.352 5.460 -0.385) 5.957 16.137 ( 0.029 -3.426 -0.922) 3.548 16.174 ( -0.410 -3.654 0.156) 3.680 16.460 ( -0.170 7.777 -6.338) 10.034 16.639 ( 2.272 -5.264 -7.583) 9.506 16.711 ( -2.939 6.299 0.552) 6.973 16.923 ( 0.365 -9.248 0.700) 9.281 17.990 ( 4.243 0.658 -0.479) 4.320 18.002 ( 4.474 -0.415 -1.167) 4.643 18.077 ( -4.529 0.902 -0.957) 4.716 18.097 ( -4.592 -0.927 -1.525) 4.927 ======================= Grid point 50 (19/45) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 0.000 0.000 12.255) 12.255 0.821 ( 0.000 0.000 11.013) 11.013 1.011 ( 0.000 0.000 19.871) 19.871 1.116 ( 0.000 0.000 0.816) 0.816 1.156 ( 0.000 0.000 5.261) 5.261 1.193 ( 0.000 0.000 9.160) 9.160 1.289 ( 0.000 0.000 -8.165) 8.165 1.341 ( 0.000 0.000 26.878) 26.878 1.493 ( 0.000 0.000 -4.105) 4.105 1.587 ( 0.000 0.000 2.608) 2.608 1.819 ( 0.000 0.000 5.070) 5.070 1.893 ( 0.000 0.000 13.651) 13.651 1.984 ( 0.000 0.000 11.267) 11.267 2.040 ( 0.000 0.000 -4.957) 4.957 2.067 ( 0.000 0.000 3.510) 3.510 2.104 ( 0.000 0.000 -3.696) 3.696 2.276 ( 0.000 0.000 -11.187) 11.187 2.346 ( 0.000 0.000 1.897) 1.897 2.484 ( 0.000 0.000 -2.972) 2.972 2.624 ( 0.000 0.000 0.881) 0.881 2.626 ( 0.000 0.000 5.247) 5.247 2.810 ( 0.000 0.000 -1.805) 1.805 2.859 ( 0.000 0.000 2.331) 2.331 2.938 ( 0.000 0.000 -4.325) 4.325 3.018 ( 0.000 0.000 7.077) 7.077 3.102 ( 0.000 0.000 -5.976) 5.976 3.111 ( 0.000 0.000 -1.711) 1.711 3.231 ( 0.000 0.000 -2.479) 2.479 3.310 ( 0.000 0.000 -1.518) 1.518 3.321 ( 0.000 0.000 4.582) 4.582 3.565 ( 0.000 0.000 -2.045) 2.045 3.602 ( 0.000 0.000 -7.167) 7.167 3.646 ( 0.000 0.000 0.464) 0.464 3.682 ( 0.000 0.000 -6.030) 6.030 3.814 ( 0.000 0.000 -9.127) 9.127 3.878 ( 0.000 0.000 -6.102) 6.102 3.975 ( 0.000 0.000 -2.796) 2.796 4.055 ( 0.000 0.000 -6.038) 6.038 4.078 ( 0.000 0.000 -0.236) 0.236 4.220 ( 0.000 0.000 -5.367) 5.367 4.270 ( 0.000 0.000 -8.397) 8.397 4.373 ( 0.000 0.000 4.824) 4.824 4.402 ( 0.000 0.000 -4.817) 4.817 4.411 ( 0.000 0.000 5.072) 5.072 4.638 ( 0.000 0.000 0.598) 0.598 4.771 ( 0.000 0.000 1.073) 1.073 4.950 ( 0.000 0.000 -2.972) 2.972 4.994 ( 0.000 0.000 -2.536) 2.536 5.017 ( 0.000 0.000 -2.257) 2.257 5.177 ( 0.000 0.000 3.660) 3.660 5.225 ( 0.000 0.000 -1.745) 1.745 5.228 ( 0.000 0.000 6.139) 6.139 5.349 ( 0.000 0.000 -6.203) 6.203 5.384 ( 0.000 0.000 -2.225) 2.225 5.506 ( 0.000 0.000 0.699) 0.699 5.622 ( 0.000 0.000 5.521) 5.521 5.735 ( 0.000 0.000 -3.619) 3.619 5.745 ( 0.000 0.000 4.966) 4.966 5.757 ( 0.000 0.000 -4.652) 4.652 5.898 ( 0.000 0.000 10.786) 10.786 5.935 ( 0.000 0.000 0.467) 0.467 6.434 ( 0.000 0.000 5.436) 5.436 6.483 ( 0.000 0.000 9.186) 9.186 6.520 ( 0.000 0.000 10.402) 10.402 6.577 ( 0.000 0.000 4.808) 4.808 6.880 ( 0.000 0.000 -2.582) 2.582 6.964 ( 0.000 0.000 -3.036) 3.036 7.059 ( 0.000 0.000 1.541) 1.541 7.128 ( 0.000 0.000 -4.418) 4.418 7.180 ( 0.000 0.000 -2.782) 2.782 7.288 ( 0.000 0.000 -0.904) 0.904 7.366 ( 0.000 0.000 -3.481) 3.481 7.569 ( 0.000 0.000 0.137) 0.137 7.602 ( 0.000 0.000 4.167) 4.167 8.094 ( 0.000 0.000 0.030) 0.030 8.218 ( 0.000 0.000 -8.855) 8.855 9.593 ( 0.000 0.000 -2.339) 2.339 9.609 ( 0.000 0.000 -1.251) 1.251 9.614 ( 0.000 0.000 -3.954) 3.954 9.772 ( 0.000 0.000 -4.434) 4.434 10.113 ( 0.000 0.000 7.176) 7.176 10.115 ( 0.000 0.000 8.552) 8.552 10.249 ( 0.000 0.000 5.359) 5.359 10.347 ( 0.000 0.000 5.754) 5.754 10.745 ( 0.000 0.000 -0.657) 0.657 10.808 ( 0.000 0.000 -1.699) 1.699 11.064 ( 0.000 0.000 -7.360) 7.360 11.092 ( 0.000 0.000 -7.253) 7.253 11.644 ( 0.000 0.000 6.978) 6.978 11.662 ( 0.000 0.000 6.618) 6.618 11.910 ( 0.000 0.000 3.631) 3.631 11.920 ( 0.000 0.000 3.757) 3.757 12.509 ( 0.000 0.000 7.864) 7.864 12.734 ( 0.000 0.000 3.142) 3.142 13.271 ( 0.000 0.000 -8.851) 8.851 13.397 ( 0.000 0.000 -15.446) 15.446 13.974 ( 0.000 0.000 3.740) 3.740 14.189 ( 0.000 0.000 1.887) 1.887 14.399 ( 0.000 0.000 4.498) 4.498 14.591 ( 0.000 0.000 9.975) 9.975 14.805 ( 0.000 0.000 13.102) 13.102 15.113 ( 0.000 0.000 1.995) 1.995 15.365 ( 0.000 0.000 3.506) 3.506 15.633 ( 0.000 0.000 -6.100) 6.100 15.701 ( 0.000 0.000 -3.905) 3.905 15.741 ( 0.000 0.000 -5.948) 5.948 15.774 ( 0.000 0.000 -0.201) 0.201 15.957 ( 0.000 0.000 3.336) 3.336 15.993 ( 0.000 0.000 -0.547) 0.547 16.161 ( 0.000 0.000 -0.269) 0.269 16.273 ( 0.000 0.000 2.083) 2.083 16.276 ( 0.000 0.000 -1.842) 1.842 16.288 ( 0.000 0.000 -4.086) 4.086 16.331 ( 0.000 0.000 -3.093) 3.093 16.399 ( 0.000 0.000 -0.995) 0.995 16.901 ( 0.000 0.000 -7.315) 7.315 17.853 ( 0.000 0.000 0.896) 0.896 17.920 ( 0.000 0.000 1.554) 1.554 18.090 ( 0.000 0.000 -3.383) 3.383 18.142 ( 0.000 0.000 -4.320) 4.320 ======================= Grid point 51 (20/45) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 4.255 0.000 10.980) 11.775 0.892 ( 6.770 0.000 6.453) 9.353 0.973 ( 1.973 0.000 16.710) 16.826 1.098 ( -6.506 0.000 2.048) 6.821 1.176 ( 1.750 0.000 -1.415) 2.250 1.276 ( 10.840 0.000 1.234) 10.910 1.333 ( 4.381 0.000 -0.755) 4.445 1.476 ( 4.869 0.000 6.275) 7.943 1.553 ( 14.126 0.000 20.099) 24.567 1.678 ( 4.519 0.000 1.490) 4.758 1.780 ( -10.745 0.000 4.085) 11.495 1.843 ( -4.167 0.000 4.552) 6.171 1.844 ( -3.052 0.000 9.400) 9.883 1.947 ( -11.470 0.000 -8.750) 14.427 2.007 ( -6.629 0.000 1.118) 6.722 2.042 ( -2.117 0.000 0.185) 2.125 2.279 ( -2.614 0.000 -5.750) 6.316 2.320 ( -0.291 0.000 2.369) 2.387 2.533 ( -2.437 0.000 2.568) 3.540 2.602 ( 1.066 0.000 0.454) 1.158 2.693 ( 4.776 0.000 -0.129) 4.778 2.785 ( -1.650 0.000 -1.431) 2.184 2.785 ( -4.156 0.000 -0.537) 4.190 2.856 ( -7.418 0.000 -1.172) 7.510 3.025 ( 1.948 0.000 -0.143) 1.953 3.057 ( -4.115 0.000 -1.853) 4.513 3.181 ( 3.998 0.000 3.517) 5.324 3.312 ( 2.998 0.000 -5.072) 5.891 3.347 ( 6.893 0.000 -0.952) 6.958 3.425 ( 7.907 0.000 -0.201) 7.909 3.577 ( 1.172 0.000 -0.257) 1.200 3.595 ( -1.349 0.000 -3.458) 3.712 3.616 ( -4.915 0.000 -4.299) 6.529 3.672 ( 3.703 0.000 0.479) 3.734 3.865 ( -0.836 0.000 -6.411) 6.465 3.875 ( 5.844 0.000 -8.540) 10.348 3.993 ( 0.351 0.000 -6.713) 6.723 4.037 ( -3.350 0.000 -5.258) 6.235 4.059 ( -0.892 0.000 1.485) 1.732 4.080 ( -7.987 0.000 -4.580) 9.207 4.298 ( -2.062 0.000 1.930) 2.824 4.368 ( -2.576 0.000 -5.493) 6.067 4.391 ( 5.618 0.000 -3.643) 6.696 4.476 ( 3.712 0.000 2.643) 4.557 4.611 ( -2.047 0.000 1.524) 2.552 4.708 ( -5.802 0.000 -3.850) 6.963 4.954 ( -0.570 0.000 0.015) 0.570 5.007 ( 1.088 0.000 -1.153) 1.585 5.032 ( 0.938 0.000 5.627) 5.705 5.156 ( -0.987 0.000 1.278) 1.615 5.167 ( -5.834 0.000 -1.864) 6.124 5.292 ( -0.020 0.000 0.676) 0.677 5.339 ( 7.932 0.000 0.134) 7.933 5.420 ( -2.740 0.000 -5.600) 6.234 5.537 ( -1.981 0.000 7.252) 7.518 5.559 ( 3.735 0.000 2.634) 4.570 5.751 ( 2.356 0.000 0.573) 2.425 5.774 ( 1.344 0.000 -3.007) 3.294 5.793 ( 1.782 0.000 0.892) 1.992 5.945 ( 6.226 0.000 4.414) 7.632 6.041 ( 8.611 0.000 3.941) 9.470 6.363 ( -6.297 0.000 7.343) 9.674 6.364 ( -10.819 0.000 8.607) 13.825 6.500 ( -2.494 0.000 7.949) 8.331 6.632 ( 5.026 0.000 3.633) 6.202 6.866 ( -1.573 0.000 -2.055) 2.588 7.003 ( 3.458 0.000 -3.845) 5.171 7.023 ( -1.915 0.000 -2.447) 3.107 7.184 ( 4.539 0.000 -1.488) 4.777 7.218 ( 3.449 0.000 -3.132) 4.659 7.283 ( -0.381 0.000 -0.828) 0.911 7.347 ( -1.903 0.000 -3.408) 3.903 7.576 ( 1.133 0.000 0.724) 1.345 7.586 ( -1.644 0.000 3.857) 4.193 7.920 ( -16.234 0.000 0.108) 16.234 8.071 ( -11.570 0.000 -0.415) 11.578 9.611 ( 1.504 0.000 -2.502) 2.919 9.624 ( 0.898 0.000 -4.065) 4.163 9.653 ( 3.708 0.000 -2.495) 4.469 9.771 ( -0.209 0.000 -4.718) 4.723 10.135 ( 2.219 0.000 7.933) 8.238 10.152 ( 3.840 0.000 7.172) 8.136 10.248 ( -0.189 0.000 5.641) 5.645 10.337 ( -1.024 0.000 5.711) 5.802 10.744 ( 0.225 0.000 -1.105) 1.128 10.786 ( -1.047 0.000 -1.328) 1.691 10.990 ( -6.437 0.000 -5.118) 8.223 11.012 ( -6.799 0.000 -4.966) 8.419 11.768 ( 11.669 0.000 4.682) 12.573 11.826 ( 14.315 0.000 4.472) 14.998 11.955 ( 4.239 0.000 3.385) 5.425 12.100 ( 12.193 0.000 -1.561) 12.293 12.500 ( -0.436 0.000 8.431) 8.442 12.768 ( 3.827 0.000 3.774) 5.374 13.115 ( -14.744 0.000 -3.535) 15.162 13.474 ( 2.973 0.000 -14.962) 15.255 14.019 ( 2.922 0.000 2.570) 3.891 14.177 ( -1.294 0.000 2.140) 2.501 14.237 ( -19.821 0.000 10.728) 22.538 14.370 ( -2.890 0.000 2.126) 3.588 14.936 ( 9.517 0.000 9.063) 13.142 15.175 ( 3.526 0.000 1.972) 4.040 15.387 ( 2.207 0.000 3.319) 3.986 15.562 ( -6.903 0.000 -5.467) 8.806 15.658 ( -8.379 0.000 -6.038) 10.327 15.675 ( -4.517 0.000 -1.683) 4.820 15.826 ( 5.375 0.000 -0.980) 5.463 15.921 ( 0.241 0.000 3.409) 3.418 15.985 ( -0.606 0.000 0.469) 0.766 16.156 ( -2.004 0.000 -3.828) 4.321 16.224 ( -1.675 0.000 1.227) 2.076 16.250 ( -0.074 0.000 -1.183) 1.186 16.320 ( 1.505 0.000 -0.194) 1.517 16.350 ( 1.719 0.000 2.848) 3.327 16.635 ( 14.809 0.000 -10.185) 17.973 16.907 ( 0.551 0.000 -7.514) 7.534 17.879 ( 2.602 0.000 -0.136) 2.606 17.936 ( 1.591 0.000 1.034) 1.897 18.069 ( -2.102 0.000 -2.880) 3.566 18.116 ( -2.639 0.000 -4.079) 4.858 ======================= Grid point 52 (21/45) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 8.724 0.000 7.932) 11.791 0.903 ( -11.262 0.000 4.800) 12.242 1.075 ( 10.922 0.000 -0.026) 10.922 1.124 ( 12.406 0.000 3.453) 12.877 1.194 ( -1.290 0.000 -5.941) 6.080 1.389 ( -6.373 0.000 3.266) 7.161 1.526 ( -5.852 0.000 4.788) 7.562 1.543 ( 7.449 0.000 11.247) 13.490 1.603 ( 6.841 0.000 -5.628) 8.859 1.667 ( 8.527 0.000 5.290) 10.035 1.707 ( -6.687 0.000 -0.325) 6.695 1.721 ( 0.112 0.000 4.097) 4.099 1.824 ( -8.250 0.000 -1.117) 8.325 1.892 ( -2.134 0.000 0.686) 2.242 1.928 ( 2.907 0.000 2.934) 4.131 2.052 ( -18.017 0.000 -3.007) 18.267 2.074 ( 13.499 0.000 3.800) 14.023 2.382 ( -12.991 0.000 2.012) 13.146 2.401 ( 8.556 0.000 1.716) 8.727 2.597 ( -8.914 0.000 3.292) 9.503 2.685 ( -2.342 0.000 0.798) 2.474 2.695 ( -1.636 0.000 -0.870) 1.853 2.812 ( 2.980 0.000 -1.306) 3.254 2.819 ( 3.469 0.000 0.258) 3.478 3.013 ( -1.285 0.000 -2.474) 2.788 3.020 ( -2.067 0.000 -4.090) 4.582 3.270 ( 5.242 0.000 7.434) 9.096 3.322 ( 0.188 0.000 0.284) 0.340 3.481 ( -2.024 0.000 -7.194) 7.473 3.490 ( -4.719 0.000 -0.782) 4.783 3.527 ( 8.107 0.000 -4.780) 9.411 3.587 ( 0.674 0.000 -0.938) 1.155 3.661 ( 4.887 0.000 -3.105) 5.790 3.747 ( -0.121 0.000 -3.438) 3.440 3.862 ( 1.756 0.000 -2.003) 2.664 3.919 ( -3.351 0.000 -1.655) 3.737 3.960 ( -2.888 0.000 -5.864) 6.537 3.979 ( -2.446 0.000 -9.961) 10.257 4.003 ( 2.783 0.000 -0.549) 2.836 4.044 ( -0.834 0.000 1.465) 1.686 4.303 ( 1.870 0.000 -2.435) 3.070 4.333 ( -1.217 0.000 -4.887) 5.036 4.486 ( 4.391 0.000 -2.972) 5.302 4.549 ( 3.682 0.000 1.722) 4.065 4.573 ( -3.330 0.000 -3.261) 4.660 4.597 ( -3.726 0.000 1.359) 3.966 4.910 ( -1.732 0.000 2.260) 2.848 4.958 ( -5.068 0.000 3.860) 6.370 5.105 ( 4.502 0.000 0.584) 4.540 5.108 ( -0.149 0.000 -1.165) 1.174 5.139 ( 0.982 0.000 0.270) 1.018 5.275 ( -8.529 0.000 -3.148) 9.091 5.362 ( 4.871 0.000 2.143) 5.322 5.427 ( 0.175 0.000 3.440) 3.445 5.560 ( 1.755 0.000 8.521) 8.700 5.585 ( -0.847 0.000 8.754) 8.795 5.807 ( 1.607 0.000 -7.080) 7.260 5.814 ( 0.646 0.000 -2.200) 2.293 5.876 ( 10.158 0.000 0.498) 10.171 6.054 ( -0.388 0.000 -0.195) 0.435 6.141 ( -3.795 0.000 9.657) 10.376 6.231 ( -6.968 0.000 7.251) 10.056 6.239 ( 8.564 0.000 4.942) 9.888 6.407 ( -7.417 0.000 6.318) 9.743 6.737 ( 5.270 0.000 1.295) 5.426 6.819 ( -3.356 0.000 -0.908) 3.476 7.030 ( 2.667 0.000 -5.187) 5.833 7.060 ( 1.210 0.000 -5.553) 5.684 7.261 ( 0.511 0.000 -2.049) 2.111 7.267 ( 2.621 0.000 -0.340) 2.643 7.299 ( 1.851 0.000 -2.183) 2.862 7.305 ( -1.482 0.000 -3.804) 4.082 7.553 ( -0.789 0.000 4.193) 4.267 7.634 ( -10.864 0.000 4.043) 11.592 7.643 ( 6.792 0.000 1.629) 6.985 7.834 ( -12.419 0.000 1.915) 12.566 9.635 ( 0.793 0.000 -3.256) 3.351 9.638 ( 0.381 0.000 -3.966) 3.985 9.719 ( 2.913 0.000 -4.083) 5.015 9.759 ( -1.274 0.000 -4.860) 5.024 10.190 ( 3.062 0.000 7.271) 7.889 10.235 ( -1.456 0.000 6.428) 6.591 10.240 ( 4.626 0.000 6.646) 8.098 10.306 ( -2.349 0.000 5.947) 6.394 10.772 ( 3.082 0.000 -2.034) 3.693 10.796 ( 2.409 0.000 -1.798) 3.005 10.863 ( -6.218 0.000 -3.069) 6.935 10.881 ( -6.248 0.000 -2.739) 6.822 11.990 ( 8.621 0.000 1.678) 8.783 12.034 ( 2.718 0.000 2.204) 3.499 12.107 ( 12.509 0.000 0.966) 12.547 12.227 ( 0.314 0.000 -1.994) 2.019 12.541 ( 6.954 0.000 9.180) 11.516 12.792 ( -17.355 0.000 4.311) 17.883 12.908 ( 12.233 0.000 5.954) 13.605 13.251 ( -21.646 0.000 3.910) 21.996 14.107 ( 3.610 0.000 1.378) 3.864 14.139 ( 7.131 0.000 -5.041) 8.733 14.144 ( -1.896 0.000 2.515) 3.150 14.290 ( -5.880 0.000 -3.788) 6.995 15.164 ( 13.858 0.000 0.933) 13.889 15.249 ( 5.455 0.000 0.668) 5.496 15.383 ( -7.968 0.000 -2.171) 8.258 15.431 ( -10.086 0.000 -3.794) 10.776 15.477 ( -0.335 0.000 1.509) 1.546 15.564 ( -5.959 0.000 1.966) 6.275 15.924 ( 3.752 0.000 1.716) 4.126 15.968 ( -1.314 0.000 1.960) 2.359 15.980 ( 5.060 0.000 -2.809) 5.788 16.082 ( -5.108 0.000 -5.607) 7.584 16.220 ( 1.111 0.000 0.238) 1.136 16.248 ( -1.093 0.000 -0.480) 1.193 16.350 ( 1.677 0.000 3.067) 3.495 16.369 ( -0.009 0.000 3.507) 3.507 16.841 ( 6.640 0.000 -10.118) 12.102 16.908 ( -1.085 0.000 -8.298) 8.369 17.944 ( 3.941 0.000 -1.658) 4.276 17.980 ( 3.053 0.000 -0.487) 3.091 18.015 ( -3.360 0.000 -1.989) 3.904 18.050 ( -4.017 0.000 -2.966) 4.994 ======================= Grid point 55 (22/45) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 0.000 6.140 8.476) 10.466 0.859 ( 0.000 2.591 8.905) 9.274 1.042 ( 0.000 2.864 18.146) 18.370 1.122 ( 0.000 0.646 1.445) 1.583 1.153 ( 0.000 -0.589 9.106) 9.125 1.204 ( 0.000 0.144 5.256) 5.258 1.242 ( 0.000 -3.773 -6.034) 7.116 1.345 ( 0.000 0.494 21.002) 21.008 1.442 ( 0.000 -2.588 -0.499) 2.636 1.604 ( 0.000 1.257 2.418) 2.725 1.783 ( 0.000 -2.138 7.921) 8.204 1.889 ( 0.000 -6.300 6.641) 9.153 1.959 ( 0.000 4.492 8.419) 9.543 2.039 ( 0.000 -0.180 -3.692) 3.696 2.081 ( 0.000 -1.318 2.004) 2.398 2.124 ( 0.000 2.059 1.688) 2.662 2.251 ( 0.000 -2.088 -8.820) 9.064 2.266 ( 0.000 -4.058 1.145) 4.216 2.549 ( 0.000 2.534 -3.718) 4.500 2.640 ( 0.000 0.723 0.670) 0.986 2.703 ( 0.000 7.054 6.503) 9.594 2.849 ( 0.000 1.550 -1.221) 1.973 2.853 ( 0.000 -0.428 2.599) 2.634 2.898 ( 0.000 -1.129 -4.543) 4.682 3.029 ( 0.000 2.373 5.376) 5.877 3.147 ( 0.000 1.087 -2.177) 2.433 3.150 ( 0.000 1.818 -4.887) 5.214 3.216 ( 0.000 -0.109 -0.914) 0.921 3.256 ( 0.000 -2.858 2.089) 3.540 3.384 ( 0.000 4.107 -2.842) 4.995 3.552 ( 0.000 -1.683 -1.937) 2.566 3.607 ( 0.000 0.534 -6.414) 6.436 3.633 ( 0.000 -0.262 0.975) 1.010 3.667 ( 0.000 -1.086 -6.077) 6.173 3.795 ( 0.000 -1.853 -7.721) 7.941 3.836 ( 0.000 -3.801 -7.159) 8.105 3.979 ( 0.000 0.448 -3.651) 3.679 4.019 ( 0.000 -1.526 -2.021) 2.533 4.090 ( 0.000 0.614 -4.442) 4.484 4.227 ( 0.000 -3.035 -7.366) 7.967 4.228 ( 0.000 0.800 -3.445) 3.537 4.355 ( 0.000 -1.602 4.465) 4.744 4.448 ( 0.000 3.383 -4.728) 5.814 4.491 ( 0.000 5.818 1.878) 6.114 4.647 ( 0.000 0.807 2.019) 2.174 4.774 ( 0.000 -0.036 0.232) 0.234 4.896 ( 0.000 -3.384 -2.536) 4.229 4.997 ( 0.000 0.002 -2.638) 2.638 5.029 ( 0.000 0.685 -2.959) 3.037 5.158 ( 0.000 -5.072 6.403) 8.168 5.235 ( 0.000 4.287 3.207) 5.354 5.235 ( 0.000 0.012 -4.007) 4.007 5.363 ( 0.000 1.163 -4.793) 4.932 5.364 ( 0.000 -1.890 -2.562) 3.183 5.478 ( 0.000 -2.097 -0.186) 2.105 5.572 ( 0.000 -7.656 -1.974) 7.906 5.623 ( 0.000 0.583 6.826) 6.851 5.782 ( 0.000 3.106 4.351) 5.345 5.860 ( 0.000 1.576 -3.570) 3.903 5.876 ( 0.000 -2.972 3.351) 4.479 5.942 ( 0.000 3.464 10.740) 11.285 6.374 ( 0.000 -8.317 11.767) 14.410 6.485 ( 0.000 2.432 6.911) 7.326 6.515 ( 0.000 -0.298 10.123) 10.128 6.617 ( 0.000 4.449 1.688) 4.759 6.912 ( 0.000 2.093 -2.400) 3.184 6.958 ( 0.000 -0.436 -4.152) 4.175 7.054 ( 0.000 -0.005 2.147) 2.148 7.072 ( 0.000 -2.462 -4.037) 4.728 7.252 ( 0.000 -1.368 -1.334) 1.910 7.274 ( 0.000 3.543 -3.679) 5.107 7.364 ( 0.000 -0.055 -3.616) 3.616 7.554 ( 0.000 -1.361 0.316) 1.397 7.564 ( 0.000 -3.040 3.769) 4.843 8.094 ( 0.000 -0.051 0.442) 0.445 8.156 ( 0.000 -3.804 -2.816) 4.733 9.595 ( 0.000 0.195 -2.228) 2.237 9.606 ( 0.000 -0.081 -1.234) 1.237 9.661 ( 0.000 3.187 -5.458) 6.320 9.769 ( 0.000 -0.381 -4.565) 4.581 10.112 ( 0.000 -0.111 7.283) 7.284 10.112 ( 0.000 -0.198 8.338) 8.341 10.260 ( 0.000 0.914 5.475) 5.550 10.338 ( 0.000 -0.769 5.736) 5.788 10.750 ( 0.000 0.438 -0.677) 0.807 10.799 ( 0.000 -0.764 -1.275) 1.486 11.066 ( 0.000 0.244 -7.342) 7.346 11.090 ( 0.000 -0.239 -7.266) 7.270 11.646 ( 0.000 0.146 6.868) 6.870 11.660 ( 0.000 -0.167 6.622) 6.624 11.910 ( 0.000 0.069 3.648) 3.648 11.918 ( 0.000 -0.154 3.780) 3.783 12.529 ( 0.000 1.873 7.714) 7.938 12.722 ( 0.000 -1.367 3.524) 3.780 13.275 ( 0.000 0.360 -8.906) 8.913 13.371 ( 0.000 -2.162 -13.462) 13.634 13.984 ( 0.000 0.934 4.159) 4.262 14.190 ( 0.000 0.194 2.221) 2.230 14.360 ( 0.000 -3.229 4.084) 5.206 14.382 ( 0.000 -14.549 12.204) 18.990 14.813 ( 0.000 0.745 13.188) 13.209 14.943 ( 0.000 -5.374 12.252) 13.379 15.556 ( 0.000 7.284 -3.502) 8.083 15.649 ( 0.000 1.719 -6.264) 6.496 15.701 ( 0.000 -0.348 -4.354) 4.368 15.750 ( 0.000 0.791 -5.045) 5.107 15.826 ( 0.000 3.501 -0.213) 3.508 15.939 ( 0.000 -1.600 2.031) 2.586 16.000 ( 0.000 0.841 -0.688) 1.086 16.081 ( 0.000 -2.714 -0.988) 2.888 16.247 ( 0.000 -1.602 -0.976) 1.876 16.263 ( 0.000 -0.950 0.412) 1.035 16.293 ( 0.000 1.167 0.103) 1.172 16.390 ( 0.000 2.863 -5.976) 6.626 16.581 ( 0.000 9.913 -7.976) 12.723 16.856 ( 0.000 -3.648 -6.740) 7.664 17.871 ( 0.000 1.433 0.994) 1.744 17.921 ( 0.000 0.093 1.535) 1.538 18.109 ( 0.000 1.424 -3.408) 3.693 18.143 ( 0.000 0.049 -3.997) 3.997 ======================= Grid point 56 (23/45) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 3.885 5.735 7.206) 9.996 0.910 ( 5.107 0.967 4.849) 7.108 0.988 ( 0.057 1.441 14.512) 14.583 1.092 ( -5.394 -0.242 -0.793) 5.457 1.166 ( 1.790 -1.087 2.761) 3.466 1.238 ( 4.175 -3.898 0.101) 5.713 1.357 ( 10.552 1.997 2.435) 11.012 1.455 ( 4.578 -0.636 4.925) 6.754 1.541 ( 13.190 -0.942 15.743) 20.560 1.654 ( -0.420 -0.855 3.213) 3.351 1.758 ( -1.669 -1.694 7.793) 8.148 1.810 ( -5.917 -2.196 6.218) 8.860 1.911 ( -3.722 2.708 1.027) 4.716 1.958 ( -7.454 1.815 -3.447) 8.411 1.977 ( -5.375 -1.110 -3.271) 6.389 2.072 ( -5.524 1.502 1.489) 5.915 2.249 ( -2.708 -2.848 -3.889) 5.529 2.264 ( 0.386 -3.400 3.347) 4.787 2.595 ( 0.908 -0.230 -0.252) 0.971 2.643 ( -4.460 7.395 1.330) 8.738 2.684 ( 1.268 -1.706 1.847) 2.816 2.783 ( -1.958 1.638 -0.726) 2.654 2.833 ( -3.128 3.437 -2.835) 5.444 2.879 ( -0.332 1.302 -0.108) 1.348 3.059 ( -0.958 3.327 2.892) 4.511 3.096 ( -2.736 1.914 -5.260) 6.230 3.152 ( 1.837 -1.527 3.731) 4.430 3.288 ( 3.198 -1.995 -3.946) 5.457 3.325 ( 7.881 -1.697 -0.049) 8.061 3.436 ( 2.910 -0.217 -4.425) 5.300 3.565 ( 1.338 0.248 -2.451) 2.804 3.589 ( -3.325 -0.069 0.155) 3.329 3.631 ( -0.634 -0.231 -0.801) 1.048 3.665 ( 3.476 0.091 -1.538) 3.802 3.809 ( -1.106 -4.126 -5.548) 7.002 3.856 ( 5.152 -2.092 -8.808) 10.416 3.967 ( -2.505 -1.111 -6.658) 7.199 3.996 ( -1.689 -1.738 -1.885) 3.071 4.090 ( -1.973 2.012 -5.333) 6.032 4.120 ( -3.247 1.663 -2.321) 4.324 4.293 ( -0.058 -1.389 -2.046) 2.473 4.341 ( 1.096 -0.850 0.106) 1.391 4.427 ( -0.203 2.576 -5.345) 5.937 4.536 ( 1.808 3.599 0.992) 4.148 4.627 ( -0.816 2.335 3.167) 4.018 4.715 ( -4.809 0.694 -3.303) 5.875 4.885 ( -1.043 -4.470 -0.734) 4.648 5.016 ( 2.088 -0.782 2.419) 3.290 5.045 ( -0.582 1.281 1.546) 2.091 5.139 ( -5.667 -0.170 -4.152) 7.027 5.167 ( 0.453 -2.279 4.823) 5.353 5.290 ( -1.222 -0.614 -2.888) 3.196 5.365 ( 6.787 2.041 0.452) 7.101 5.396 ( -1.332 -1.202 -4.108) 4.483 5.508 ( 0.847 -3.337 4.349) 5.547 5.538 ( 1.946 -0.454 4.407) 4.839 5.684 ( 3.068 -2.037 -0.551) 3.723 5.757 ( -0.166 1.059 1.866) 2.152 5.894 ( 1.830 1.379 -1.233) 2.602 5.934 ( 5.807 -0.536 2.895) 6.511 6.022 ( 7.729 0.321 8.653) 11.607 6.283 ( -8.708 -6.328 10.424) 14.984 6.401 ( -6.717 2.354 7.479) 10.325 6.492 ( -2.912 -0.690 7.765) 8.322 6.684 ( 5.566 4.577 2.014) 7.482 6.903 ( -0.919 2.725 -2.353) 3.716 6.994 ( 2.992 -0.542 -4.484) 5.418 7.034 ( -0.346 0.965 -1.667) 1.957 7.121 ( 3.755 -3.135 -2.004) 5.286 7.249 ( -0.912 -2.842 -0.955) 3.133 7.296 ( 2.750 3.988 -3.243) 5.830 7.347 ( -1.646 0.126 -3.501) 3.871 7.538 ( -2.592 -3.474 3.987) 5.889 7.559 ( 0.716 -1.549 0.242) 1.723 7.940 ( -13.268 1.618 1.126) 13.414 8.051 ( -9.790 -1.548 0.910) 9.953 9.614 ( 1.833 0.442 -2.375) 3.032 9.650 ( 3.444 -0.228 -2.522) 4.275 9.661 ( 0.171 2.633 -4.948) 5.607 9.767 ( -0.240 -0.405 -4.808) 4.831 10.134 ( 2.335 -0.058 7.731) 8.076 10.148 ( 3.623 -0.299 7.235) 8.097 10.258 ( -0.232 0.859 5.762) 5.830 10.329 ( -0.917 -0.671 5.739) 5.850 10.748 ( 0.163 0.369 -1.110) 1.181 10.782 ( -0.805 -0.368 -1.258) 1.538 10.993 ( -6.449 0.223 -5.117) 8.235 11.010 ( -6.743 -0.148 -4.983) 8.386 11.771 ( 11.626 0.325 4.531) 12.482 11.818 ( 13.823 -0.653 4.370) 14.512 11.964 ( 5.052 0.761 3.425) 6.151 12.074 ( 11.536 -2.051 0.045) 11.717 12.522 ( -0.367 1.989 8.274) 8.517 12.745 ( 2.599 -2.142 4.165) 5.356 13.124 ( -14.311 0.940 -3.427) 14.745 13.396 ( -1.563 -6.412 -9.821) 11.833 14.023 ( 2.754 0.408 2.672) 3.859 14.161 ( -10.436 -4.667 9.001) 14.550 14.179 ( -2.693 -0.134 2.989) 4.026 14.332 ( -2.967 -3.223 2.460) 5.024 14.926 ( 9.253 -0.758 8.966) 12.906 15.026 ( 6.863 -6.106 7.705) 11.990 15.521 ( -3.750 6.337 -2.960) 7.936 15.561 ( -6.473 1.224 -4.849) 8.180 15.640 ( -8.748 -0.856 -5.906) 10.590 15.779 ( 3.236 3.095 -4.068) 6.050 15.854 ( 2.774 3.591 -0.221) 4.543 15.932 ( 0.434 1.066 2.769) 2.999 15.997 ( -0.235 1.200 0.046) 1.224 16.155 ( -5.801 -1.256 -2.751) 6.542 16.159 ( 4.553 -3.225 1.334) 5.737 16.240 ( -0.973 -1.009 1.271) 1.892 16.298 ( -0.965 1.263 -1.418) 2.130 16.439 ( 4.052 2.998 -3.484) 6.128 16.644 ( 3.921 1.234 -7.757) 8.779 16.892 ( 3.582 -1.800 -7.544) 8.543 17.894 ( 2.349 1.245 0.175) 2.664 17.938 ( 1.687 0.150 0.999) 1.966 18.086 ( -2.335 1.272 -2.847) 3.896 18.118 ( -2.498 0.153 -3.735) 4.496 ======================= Grid point 57 (24/45) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 7.118 4.541 4.691) 9.659 0.928 ( -7.894 1.907 3.018) 8.664 1.060 ( 7.185 -0.986 -0.615) 7.279 1.085 ( 6.482 -2.329 0.547) 6.909 1.207 ( 3.568 -0.469 -3.059) 4.723 1.320 ( 2.831 -6.345 8.645) 11.091 1.441 ( -13.253 -1.042 2.543) 13.535 1.538 ( -0.445 -4.311 3.614) 5.644 1.628 ( 12.558 0.926 -5.866) 13.891 1.694 ( 3.835 1.007 6.672) 7.761 1.705 ( 2.940 4.799 4.199) 7.022 1.809 ( -2.625 2.992 -0.536) 4.016 1.829 ( -6.858 0.684 0.328) 6.900 1.889 ( -0.604 -0.210 4.672) 4.715 1.916 ( 1.281 0.014 1.283) 1.813 2.034 ( -5.879 -1.458 -0.177) 6.060 2.107 ( 0.019 2.398 1.224) 2.692 2.295 ( 2.196 -3.539 2.922) 5.088 2.481 ( -7.651 0.683 -0.347) 7.689 2.538 ( -8.800 -4.060 2.614) 10.038 2.683 ( 1.407 2.489 0.532) 2.908 2.761 ( -1.938 6.000 0.005) 6.305 2.853 ( 4.600 2.460 -1.397) 5.400 2.907 ( 1.707 5.321 0.558) 5.616 2.998 ( -3.248 -0.036 -1.552) 3.600 3.052 ( -1.986 1.893 -3.117) 4.152 3.233 ( 4.280 -2.288 5.274) 7.167 3.308 ( 0.791 -2.160 -2.348) 3.287 3.450 ( -0.524 -2.187 -4.034) 4.619 3.484 ( 4.963 -3.163 -3.691) 6.947 3.490 ( -4.538 -0.300 0.246) 4.555 3.590 ( 0.305 -0.281 -2.500) 2.534 3.653 ( 4.241 -0.389 -3.048) 5.237 3.744 ( 0.306 -0.650 -0.220) 0.751 3.825 ( 1.879 -2.096 -3.638) 4.600 3.888 ( -0.687 -1.518 -4.116) 4.440 3.926 ( -4.162 -1.556 -3.119) 5.429 3.979 ( 3.190 -1.457 -4.227) 5.492 4.036 ( -2.187 3.094 -7.417) 8.328 4.099 ( -0.523 2.710 0.597) 2.824 4.295 ( 0.833 -0.292 -3.038) 3.163 4.366 ( 0.848 2.582 -3.770) 4.647 4.461 ( 2.851 -2.099 -3.080) 4.693 4.528 ( -1.579 -0.515 -1.629) 2.327 4.612 ( -2.404 1.229 1.707) 3.194 4.661 ( 0.450 6.085 0.856) 6.161 4.852 ( -2.049 -4.438 1.841) 5.223 4.984 ( -3.184 1.023 3.460) 4.812 5.051 ( 0.508 -2.088 -1.895) 2.866 5.077 ( -0.405 -1.064 -1.521) 1.900 5.190 ( 2.778 1.195 2.368) 3.841 5.281 ( -4.554 -2.505 -2.509) 5.772 5.362 ( 2.999 1.503 2.254) 4.041 5.439 ( -0.022 1.641 3.487) 3.854 5.498 ( -1.413 -4.063 8.426) 9.460 5.597 ( 2.750 0.530 6.854) 7.404 5.725 ( 0.670 -0.982 -3.811) 3.992 5.843 ( 8.570 -2.308 0.963) 8.928 5.918 ( 0.798 1.773 -3.642) 4.129 6.014 ( -3.110 -2.792 0.695) 4.237 6.125 ( -1.554 -1.003 10.138) 10.306 6.195 ( 7.657 -1.328 6.751) 10.295 6.275 ( -4.623 1.717 6.026) 7.787 6.396 ( -6.955 -1.004 5.926) 9.192 6.793 ( 5.101 4.732 0.884) 7.014 6.873 ( -2.515 4.354 -1.114) 5.150 7.038 ( 2.712 0.684 -5.068) 5.789 7.070 ( 1.685 0.665 -4.854) 5.181 7.198 ( 3.834 -3.812 -2.508) 5.960 7.227 ( -0.836 -3.056 -1.375) 3.454 7.290 ( -3.285 -0.420 -1.676) 3.712 7.369 ( 2.817 3.063 -3.487) 5.429 7.468 ( -3.635 -4.305 4.543) 7.238 7.608 ( 4.449 -2.691 0.430) 5.217 7.719 ( -7.342 4.555 3.617) 9.366 7.843 ( -9.829 0.485 2.716) 10.209 9.646 ( 1.242 1.020 -3.336) 3.703 9.660 ( -0.234 1.753 -4.360) 4.706 9.715 ( 2.843 -0.443 -4.046) 4.965 9.754 ( -1.306 -0.475 -4.868) 5.063 10.190 ( 2.870 0.059 6.880) 7.455 10.231 ( 4.164 -0.726 6.511) 7.762 10.245 ( -1.177 0.837 6.709) 6.863 10.302 ( -2.010 -0.416 6.151) 6.484 10.775 ( 3.016 0.254 -2.008) 3.632 10.794 ( 2.466 -0.171 -1.815) 3.067 10.865 ( -6.211 0.212 -3.016) 6.908 10.880 ( -6.232 -0.098 -2.744) 6.811 11.976 ( 6.566 -0.411 1.315) 6.709 12.073 ( 6.506 1.803 2.001) 7.041 12.083 ( 9.401 -1.152 0.654) 9.494 12.221 ( 2.974 -0.647 -0.837) 3.156 12.560 ( 6.573 1.847 9.156) 11.421 12.800 ( -13.884 0.335 5.148) 14.811 12.850 ( 5.014 -3.981 5.829) 8.658 13.175 ( -17.108 -6.753 5.589) 19.223 14.103 ( 3.080 -0.297 1.614) 3.490 14.120 ( 6.205 -1.322 -2.813) 6.940 14.144 ( -1.872 0.082 2.407) 3.051 14.254 ( -5.500 -2.991 -2.120) 6.610 15.143 ( 12.568 -1.949 1.626) 12.822 15.180 ( 10.208 -2.939 1.013) 10.671 15.360 ( -10.917 -1.372 -2.909) 11.381 15.424 ( -13.275 -1.030 -4.736) 14.132 15.500 ( -1.183 7.040 -1.287) 7.253 15.802 ( -0.199 11.689 0.484) 11.701 15.928 ( 4.061 -0.024 -0.568) 4.101 15.961 ( 2.098 -1.154 0.017) 2.395 15.989 ( -0.504 1.994 1.656) 2.641 16.052 ( -4.967 -2.454 -3.876) 6.762 16.204 ( 1.915 -1.835 0.514) 2.702 16.251 ( -1.385 -3.290 1.545) 3.889 16.278 ( 0.526 1.985 -0.684) 2.164 16.506 ( 2.233 6.929 0.686) 7.312 16.685 ( 0.702 -8.340 -8.488) 11.920 16.958 ( 2.293 -0.429 -7.663) 8.010 17.955 ( 3.782 0.900 -1.158) 4.057 17.983 ( 2.885 0.204 -0.500) 2.935 18.028 ( -3.633 0.940 -1.882) 4.198 18.057 ( -3.567 0.491 -2.554) 4.415 ======================= Grid point 60 (25/45) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 0.000 7.304 1.574) 7.472 0.882 ( 0.000 -1.576 0.272) 1.599 1.112 ( 0.000 0.544 12.758) 12.770 1.126 ( 0.000 -1.775 7.996) 8.191 1.131 ( 0.000 1.387 8.113) 8.231 1.176 ( 0.000 -1.935 5.587) 5.913 1.199 ( 0.000 2.371 0.356) 2.398 1.293 ( 0.000 -4.600 10.808) 11.746 1.503 ( 0.000 6.555 6.071) 8.935 1.616 ( 0.000 -1.625 3.848) 4.177 1.743 ( 0.000 -1.379 5.124) 5.306 1.757 ( 0.000 -4.247 3.861) 5.739 2.026 ( 0.000 0.295 0.853) 0.903 2.045 ( 0.000 -1.555 1.697) 2.302 2.066 ( 0.000 4.047 4.009) 5.696 2.136 ( 0.000 -1.508 3.337) 3.662 2.207 ( 0.000 -1.128 -4.228) 4.376 2.210 ( 0.000 -1.201 -0.657) 1.369 2.590 ( 0.000 1.707 -2.363) 2.915 2.628 ( 0.000 -1.571 -0.807) 1.766 2.837 ( 0.000 0.930 2.262) 2.445 2.843 ( 0.000 -0.413 2.760) 2.791 2.891 ( 0.000 6.000 4.410) 7.446 2.931 ( 0.000 2.945 -2.453) 3.832 3.093 ( 0.000 -0.946 -0.640) 1.142 3.102 ( 0.000 -3.877 1.642) 4.210 3.122 ( 0.000 1.339 1.549) 2.048 3.195 ( 0.000 -3.141 3.447) 4.663 3.302 ( 0.000 5.824 -6.141) 8.464 3.412 ( 0.000 -3.427 -6.982) 7.778 3.565 ( 0.000 4.290 -3.911) 5.805 3.625 ( 0.000 0.448 -4.721) 4.742 3.644 ( 0.000 0.814 0.290) 0.865 3.644 ( 0.000 -0.509 -5.206) 5.231 3.734 ( 0.000 -3.147 -5.937) 6.720 3.740 ( 0.000 -3.982 -7.341) 8.351 3.993 ( 0.000 0.656 -4.521) 4.568 4.003 ( 0.000 -0.313 -3.893) 3.906 4.111 ( 0.000 1.519 -5.352) 5.563 4.160 ( 0.000 -2.857 -6.331) 6.946 4.258 ( 0.000 1.953 0.228) 1.967 4.308 ( 0.000 -2.463 3.128) 3.981 4.528 ( 0.000 3.590 -3.057) 4.715 4.578 ( 0.000 0.205 -2.002) 2.012 4.691 ( 0.000 3.741 1.805) 4.154 4.757 ( 0.000 -1.751 -1.546) 2.336 4.859 ( 0.000 1.171 -1.353) 1.789 4.951 ( 0.000 -5.301 -0.665) 5.343 5.043 ( 0.000 0.572 -1.635) 1.732 5.060 ( 0.000 -1.822 3.234) 3.712 5.247 ( 0.000 1.406 -5.757) 5.926 5.294 ( 0.000 -2.019 -4.536) 4.965 5.345 ( 0.000 3.458 4.150) 5.402 5.394 ( 0.000 1.536 -2.145) 2.639 5.433 ( 0.000 -1.894 -2.147) 2.863 5.439 ( 0.000 -4.740 1.129) 4.872 5.665 ( 0.000 3.337 5.974) 6.842 5.760 ( 0.000 -5.061 3.463) 6.132 5.858 ( 0.000 3.205 3.404) 4.675 5.898 ( 0.000 -0.202 1.135) 1.153 6.036 ( 0.000 5.283 11.667) 12.808 6.183 ( 0.000 -8.203 13.072) 15.432 6.509 ( 0.000 0.247 8.867) 8.871 6.511 ( 0.000 -0.084 9.595) 9.596 6.753 ( 0.000 6.782 -1.100) 6.871 6.880 ( 0.000 -4.460 -1.850) 4.828 6.989 ( 0.000 2.064 -4.838) 5.259 7.028 ( 0.000 -1.754 -4.314) 4.657 7.088 ( 0.000 3.363 1.369) 3.631 7.177 ( 0.000 -4.202 -0.291) 4.212 7.355 ( 0.000 2.251 -5.298) 5.756 7.368 ( 0.000 0.305 -4.178) 4.189 7.504 ( 0.000 -1.451 3.480) 3.770 7.516 ( 0.000 -1.808 1.365) 2.265 8.093 ( 0.000 0.032 1.310) 1.310 8.102 ( 0.000 -1.131 1.339) 1.753 9.600 ( 0.000 0.231 -1.935) 1.949 9.604 ( 0.000 -0.149 -1.551) 1.558 9.721 ( 0.000 2.131 -5.619) 6.010 9.754 ( 0.000 -1.004 -4.982) 5.082 10.109 ( 0.000 -0.077 7.931) 7.931 10.109 ( 0.000 -0.087 7.558) 7.558 10.285 ( 0.000 1.360 5.616) 5.779 10.315 ( 0.000 -1.280 5.691) 5.833 10.763 ( 0.000 0.723 -0.732) 1.029 10.780 ( 0.000 -0.853 -0.866) 1.216 11.074 ( 0.000 0.400 -7.306) 7.317 11.083 ( 0.000 -0.400 -7.281) 7.292 11.650 ( 0.000 0.228 6.719) 6.723 11.656 ( 0.000 -0.245 6.644) 6.649 11.912 ( 0.000 0.097 3.691) 3.692 11.915 ( 0.000 -0.125 3.748) 3.751 12.588 ( 0.000 3.447 7.003) 7.806 12.668 ( 0.000 -3.439 5.295) 6.314 13.289 ( 0.000 0.953 -9.186) 9.235 13.321 ( 0.000 -2.035 -10.386) 10.584 14.021 ( 0.000 2.790 5.873) 6.503 14.125 ( 0.000 -7.301 9.564) 12.032 14.218 ( 0.000 1.614 2.826) 3.255 14.280 ( 0.000 -3.648 3.294) 4.915 14.836 ( 0.000 1.369 13.355) 13.425 14.873 ( 0.000 -2.087 13.407) 13.569 15.644 ( 0.000 2.132 -4.061) 4.586 15.681 ( 0.000 -1.380 -4.485) 4.692 15.712 ( 0.000 3.198 -5.566) 6.419 15.757 ( 0.000 -0.702 -4.591) 4.645 15.875 ( 0.000 1.067 1.297) 1.680 15.900 ( 0.000 -1.600 1.132) 1.960 16.031 ( 0.000 1.799 -1.719) 2.488 16.060 ( 0.000 -0.499 -3.091) 3.131 16.231 ( 0.000 -0.010 0.835) 0.835 16.241 ( 0.000 -0.851 1.058) 1.357 16.343 ( 0.000 3.532 -3.631) 5.065 16.412 ( 0.000 -1.467 -7.184) 7.333 16.720 ( 0.000 3.274 -8.555) 9.160 16.775 ( 0.000 -2.976 -6.277) 6.946 17.904 ( 0.000 1.283 1.142) 1.718 17.921 ( 0.000 -0.289 1.316) 1.348 18.135 ( 0.000 0.766 -3.180) 3.271 18.143 ( 0.000 -0.085 -3.378) 3.379 ======================= Grid point 61 (26/45) ======================= q-point: ( 0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 2.796 6.543 -0.109) 7.116 0.900 ( 2.188 -2.473 -1.808) 3.765 1.028 ( -2.410 2.245 7.143) 7.866 1.101 ( -2.566 -2.219 4.489) 5.627 1.112 ( 0.189 -0.297 2.807) 2.829 1.159 ( 1.439 -2.466 8.387) 8.860 1.384 ( 12.077 1.569 4.996) 13.163 1.438 ( 8.456 -2.576 4.796) 10.057 1.580 ( 6.842 5.233 6.501) 10.791 1.661 ( -7.054 0.771 5.209) 8.802 1.707 ( 5.635 -2.838 6.599) 9.130 1.736 ( 0.292 -3.884 6.212) 7.332 1.938 ( -5.302 1.126 -3.691) 6.558 1.962 ( -5.211 -0.725 -4.247) 6.762 2.041 ( -4.200 4.264 1.139) 6.093 2.096 ( -5.536 0.126 0.574) 5.567 2.183 ( -3.204 -2.323 0.680) 4.015 2.192 ( -0.007 -2.784 4.450) 5.249 2.599 ( -1.849 0.759 -0.474) 2.054 2.630 ( -2.594 -2.053 -0.072) 3.309 2.786 ( -3.684 3.340 0.259) 4.979 2.814 ( -0.642 0.251 0.122) 0.701 2.894 ( 1.945 4.005 3.206) 5.486 2.944 ( 0.753 2.302 -2.487) 3.471 3.078 ( -3.068 -0.752 0.643) 3.224 3.122 ( 1.143 -1.992 -0.427) 2.336 3.160 ( 1.444 3.533 1.295) 4.030 3.239 ( 2.785 -2.869 0.886) 4.095 3.315 ( 3.764 2.058 -4.047) 5.898 3.387 ( -0.950 -3.582 -6.338) 7.342 3.597 ( -2.989 1.373 -0.246) 3.299 3.603 ( 1.021 2.083 -2.123) 3.145 3.624 ( -0.619 -0.315 -0.960) 1.185 3.651 ( -0.674 -2.253 0.277) 2.367 3.744 ( 3.665 -0.191 -6.985) 7.890 3.792 ( 5.611 -3.363 -7.916) 10.269 3.959 ( -3.266 0.273 -6.028) 6.861 3.971 ( -2.623 -0.780 -4.677) 5.419 4.125 ( 0.013 1.191 -4.345) 4.505 4.140 ( -1.453 0.035 -4.093) 4.343 4.276 ( 1.564 0.468 -1.026) 1.928 4.308 ( 1.439 -1.944 0.765) 2.537 4.499 ( -2.122 3.454 -3.746) 5.519 4.555 ( -2.356 -1.327 -1.172) 2.947 4.713 ( -2.369 2.718 -0.280) 3.616 4.748 ( 2.543 1.139 -0.093) 2.788 4.817 ( -2.912 1.500 -0.455) 3.307 4.946 ( 0.701 -6.103 2.772) 6.740 5.072 ( 0.495 1.107 1.888) 2.244 5.100 ( 2.663 -1.988 4.223) 5.374 5.161 ( -5.705 1.969 -5.912) 8.448 5.227 ( -4.267 -3.787 -5.935) 8.233 5.403 ( 1.084 1.580 1.275) 2.302 5.431 ( 4.408 1.620 2.652) 5.393 5.453 ( 2.579 -0.226 -0.090) 2.591 5.509 ( 5.086 -2.438 2.287) 6.086 5.688 ( 1.975 2.381 2.718) 4.118 5.760 ( -0.590 -2.783 0.969) 3.006 5.876 ( 2.823 1.882 2.982) 4.517 5.935 ( 3.684 -1.700 1.544) 4.341 6.064 ( 2.864 2.816 10.402) 11.151 6.146 ( -3.475 -5.214 11.755) 13.321 6.443 ( -5.839 1.546 8.030) 10.048 6.472 ( -4.176 -1.159 7.885) 8.998 6.807 ( 5.088 5.914 -0.300) 7.808 6.911 ( 3.040 -2.950 -2.020) 4.694 7.012 ( 2.457 2.114 -5.289) 6.203 7.056 ( 2.824 -1.762 -4.476) 5.578 7.079 ( -0.955 2.721 0.828) 3.000 7.168 ( -1.118 -4.324 -0.637) 4.512 7.351 ( -1.463 1.064 -3.065) 3.559 7.365 ( 0.610 0.679 -4.411) 4.505 7.482 ( -2.047 -0.451 3.188) 3.816 7.515 ( 0.174 -2.337 0.692) 2.444 7.979 ( -9.832 1.787 2.117) 10.215 8.016 ( -8.648 -1.606 2.087) 9.040 9.627 ( 2.484 0.668 -2.421) 3.533 9.641 ( 3.131 -0.532 -2.487) 4.034 9.717 ( -0.453 2.158 -5.365) 5.801 9.752 ( -0.356 -1.095 -5.075) 5.204 10.135 ( 2.664 0.153 7.460) 7.923 10.140 ( 3.142 -0.346 7.329) 7.981 10.282 ( -0.402 1.241 5.859) 6.002 10.309 ( -0.667 -1.141 5.813) 5.961 10.759 ( -0.033 0.564 -1.125) 1.259 10.771 ( -0.370 -0.555 -1.165) 1.343 10.999 ( -6.499 0.313 -5.084) 8.257 11.005 ( -6.613 -0.272 -5.027) 8.311 11.782 ( 11.839 0.694 4.281) 12.608 11.800 ( 12.705 -0.903 4.225) 13.419 11.988 ( 7.094 1.448 3.286) 7.951 12.026 ( 9.558 -2.084 2.309) 10.051 12.586 ( 0.032 3.796 7.531) 8.433 12.676 ( 0.985 -4.019 5.792) 7.118 13.161 ( -12.767 2.630 -3.126) 13.405 13.251 ( -8.767 -5.796 -3.927) 11.219 14.038 ( 1.768 1.043 3.357) 3.934 14.076 ( -1.914 -2.627 5.716) 6.576 14.197 ( -1.893 1.688 2.498) 3.560 14.254 ( -2.569 -3.416 2.593) 4.999 14.920 ( 8.091 0.508 8.762) 11.937 14.948 ( 7.380 -2.019 8.642) 11.542 15.572 ( -8.817 1.321 -5.860) 10.669 15.601 ( -7.548 -1.130 -5.809) 9.592 15.687 ( -1.330 5.384 -3.460) 6.537 15.775 ( 2.822 -2.335 -3.538) 5.092 15.916 ( 3.423 1.559 1.032) 3.900 15.944 ( 3.474 -0.783 0.552) 3.604 16.043 ( 0.844 2.786 -0.716) 2.998 16.102 ( 2.830 -2.121 -0.781) 3.622 16.154 ( -6.083 1.498 -0.288) 6.272 16.204 ( -2.826 -2.238 0.638) 3.661 16.357 ( 0.292 3.684 -3.873) 5.353 16.436 ( 2.413 -2.812 -6.724) 7.677 16.711 ( -0.444 4.688 -4.931) 6.818 16.820 ( 3.471 -4.627 -6.384) 8.615 17.923 ( 1.990 1.150 0.561) 2.365 17.938 ( 1.791 -0.241 0.801) 1.977 18.110 ( -2.470 0.808 -2.674) 3.729 18.120 ( -2.350 -0.100 -3.011) 3.820 ======================= Grid point 62 (27/45) ======================= q-point: ( 0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 4.907 5.705 -1.519) 7.677 0.958 ( 2.277 -0.143 -2.484) 3.372 1.032 ( 0.488 -1.268 -1.332) 1.903 1.044 ( -1.622 -1.955 1.630) 3.019 1.168 ( 4.282 -0.938 1.263) 4.562 1.206 ( 2.999 -3.525 6.862) 8.277 1.442 ( -7.752 0.502 2.598) 8.191 1.464 ( -5.084 -1.973 2.806) 6.134 1.656 ( 9.858 1.433 -1.169) 10.030 1.687 ( 8.473 -1.104 3.217) 9.130 1.802 ( 1.326 2.560 -1.556) 3.276 1.828 ( -3.144 -0.298 2.358) 3.941 1.861 ( 0.568 2.431 2.170) 3.307 1.899 ( 1.640 -0.187 2.716) 3.178 1.938 ( -4.107 1.981 3.042) 5.482 1.990 ( -6.240 -2.452 1.177) 6.807 2.166 ( 3.722 2.884 2.207) 5.200 2.228 ( 5.319 -2.805 3.337) 6.877 2.451 ( -13.018 -1.374 -0.268) 13.094 2.463 ( -9.462 -2.454 0.618) 9.795 2.768 ( 0.131 4.521 -0.234) 4.529 2.857 ( 3.418 -2.642 -0.798) 4.393 2.919 ( 0.560 5.593 1.300) 5.770 2.982 ( -0.394 -1.112 -0.085) 1.183 3.020 ( 0.173 6.163 -1.119) 6.266 3.133 ( -1.498 4.389 -1.650) 4.922 3.177 ( 3.043 -4.365 -0.305) 5.329 3.228 ( -2.307 -3.720 -1.795) 4.731 3.401 ( 3.448 -1.237 -1.661) 4.022 3.420 ( 2.688 -2.435 -4.068) 5.450 3.501 ( -5.257 1.554 1.940) 5.815 3.551 ( -4.282 -2.681 -0.588) 5.087 3.665 ( 5.404 1.453 -2.848) 6.280 3.709 ( 5.749 -2.309 2.001) 6.510 3.817 ( -3.651 1.418 -7.649) 8.594 3.860 ( -1.125 -1.887 -5.925) 6.319 3.908 ( 0.052 0.610 -2.713) 2.781 3.940 ( 2.902 -1.909 -3.936) 5.250 4.095 ( -1.693 2.250 -4.611) 5.402 4.127 ( -0.652 -0.333 -2.430) 2.538 4.314 ( 2.104 2.184 -2.501) 3.931 4.375 ( 4.132 -2.672 -2.188) 5.385 4.460 ( -1.947 2.710 -2.921) 4.434 4.511 ( -1.690 -1.450 -1.258) 2.557 4.653 ( -2.469 2.839 0.441) 3.788 4.741 ( -2.023 -5.041 -0.086) 5.432 4.809 ( 0.013 6.827 2.296) 7.203 4.939 ( -1.605 -4.746 2.559) 5.626 5.059 ( 1.207 2.805 -2.146) 3.732 5.102 ( -0.852 2.214 -0.347) 2.397 5.161 ( 2.520 -3.951 1.988) 5.090 5.182 ( -1.213 -3.749 -2.490) 4.661 5.397 ( -1.854 1.418 4.652) 5.204 5.431 ( -1.201 -1.904 7.028) 7.380 5.518 ( 1.765 4.339 2.973) 5.548 5.591 ( 3.191 -1.721 5.122) 6.275 5.740 ( 1.832 1.828 -1.784) 3.143 5.792 ( 4.517 -2.430 -0.050) 5.130 5.902 ( -0.785 -0.333 1.132) 1.417 5.947 ( -3.891 -3.516 1.851) 5.561 6.134 ( 4.051 1.648 7.932) 9.058 6.170 ( 7.463 -1.335 6.877) 10.236 6.317 ( -6.550 2.166 6.164) 9.251 6.363 ( -6.540 -1.956 5.968) 9.068 6.916 ( 5.340 5.752 -0.045) 7.849 6.972 ( 1.452 3.136 -2.239) 4.118 7.047 ( 0.488 -0.278 -1.409) 1.517 7.073 ( 0.362 -0.645 -4.266) 4.330 7.123 ( 2.567 -1.935 -3.601) 4.827 7.150 ( 1.394 -3.424 -3.093) 4.820 7.296 ( -3.894 1.385 -0.774) 4.205 7.353 ( -2.357 -3.453 0.533) 4.215 7.466 ( 1.069 3.223 -0.630) 3.454 7.540 ( 2.233 -3.360 -0.767) 4.107 7.801 ( -6.603 2.815 3.490) 7.981 7.841 ( -7.258 -0.885 3.425) 8.075 9.673 ( 2.039 1.317 -3.639) 4.374 9.698 ( 1.972 -0.342 -4.026) 4.496 9.704 ( -0.416 1.268 -4.667) 4.854 9.736 ( -1.326 -1.160 -4.889) 5.197 10.196 ( 2.976 0.535 6.457) 7.130 10.212 ( 3.491 -0.879 6.371) 7.318 10.267 ( -1.191 1.046 6.808) 6.990 10.288 ( -1.493 -0.849 6.544) 6.766 10.782 ( 2.841 0.353 -1.941) 3.459 10.789 ( 2.628 -0.302 -1.867) 3.238 10.871 ( -6.199 0.281 -2.895) 6.847 10.876 ( -6.206 -0.212 -2.788) 6.807 11.984 ( 6.392 1.180 0.727) 6.541 12.026 ( 7.763 -2.483 0.277) 8.155 12.141 ( 7.103 2.941 1.795) 7.895 12.194 ( 6.420 -1.849 0.801) 6.729 12.624 ( 5.670 3.975 8.656) 11.084 12.725 ( 4.920 -5.026 7.364) 10.183 12.863 ( -16.153 3.878 5.832) 17.606 12.997 ( -14.558 -8.144 7.170) 18.156 14.096 ( 2.537 -0.193 1.510) 2.958 14.099 ( 4.641 -0.473 -0.244) 4.671 14.154 ( -2.471 0.902 1.978) 3.291 14.189 ( -4.143 -2.431 0.702) 4.855 15.120 ( 12.193 0.173 0.954) 12.232 15.139 ( 12.557 -1.383 0.456) 12.641 15.362 ( -12.615 1.060 -4.393) 13.400 15.393 ( -13.095 -1.606 -4.793) 14.037 15.679 ( -0.106 8.341 -3.475) 9.037 15.837 ( 2.963 -5.666 -4.062) 7.575 15.963 ( 0.499 0.971 1.895) 2.187 15.990 ( 0.509 -1.005 0.364) 1.184 16.043 ( -1.683 5.376 -0.098) 5.634 16.060 ( -0.896 5.100 0.589) 5.212 16.138 ( 1.528 -3.835 0.833) 4.211 16.175 ( -0.965 -4.087 0.188) 4.203 16.354 ( -0.206 4.690 -4.070) 6.213 16.482 ( 1.742 -6.897 -6.828) 9.860 16.705 ( -0.243 8.076 -1.785) 8.275 16.874 ( 1.698 -6.609 -4.853) 8.374 17.976 ( 3.337 0.788 -0.742) 3.508 17.985 ( 2.849 -0.090 -0.556) 2.904 18.050 ( -3.623 0.957 -1.522) 4.044 18.063 ( -3.243 -0.128 -1.763) 3.693 ======================= Grid point 75 (28/45) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 0.000 0.000 9.916) 9.916 0.993 ( 0.000 0.000 4.236) 4.236 1.063 ( 0.000 0.000 0.865) 0.865 1.157 ( 0.000 0.000 -3.619) 3.619 1.215 ( 0.000 0.000 0.204) 0.204 1.340 ( 0.000 0.000 -8.574) 8.574 1.430 ( 0.000 0.000 12.782) 12.782 1.478 ( 0.000 0.000 20.324) 20.324 1.669 ( 0.000 0.000 5.653) 5.653 1.750 ( 0.000 0.000 13.092) 13.092 1.897 ( 0.000 0.000 1.553) 1.553 1.929 ( 0.000 0.000 -6.153) 6.153 1.976 ( 0.000 0.000 -5.608) 5.608 2.024 ( 0.000 0.000 -12.566) 12.566 2.134 ( 0.000 0.000 2.899) 2.899 2.191 ( 0.000 0.000 15.746) 15.746 2.243 ( 0.000 0.000 8.994) 8.994 2.353 ( 0.000 0.000 -8.902) 8.902 2.389 ( 0.000 0.000 2.181) 2.181 2.648 ( 0.000 0.000 1.666) 1.666 2.737 ( 0.000 0.000 0.567) 0.567 2.781 ( 0.000 0.000 3.475) 3.475 2.806 ( 0.000 0.000 -9.530) 9.530 2.895 ( 0.000 0.000 1.242) 1.242 3.005 ( 0.000 0.000 -3.300) 3.300 3.042 ( 0.000 0.000 -3.594) 3.594 3.231 ( 0.000 0.000 13.482) 13.482 3.261 ( 0.000 0.000 3.307) 3.307 3.321 ( 0.000 0.000 2.573) 2.573 3.364 ( 0.000 0.000 -0.459) 0.459 3.480 ( 0.000 0.000 -5.197) 5.197 3.540 ( 0.000 0.000 0.310) 0.310 3.576 ( 0.000 0.000 -3.156) 3.156 3.644 ( 0.000 0.000 -1.952) 1.952 3.690 ( 0.000 0.000 -2.866) 2.866 3.753 ( 0.000 0.000 -6.750) 6.750 3.954 ( 0.000 0.000 0.758) 0.758 3.983 ( 0.000 0.000 0.001) 0.001 4.013 ( 0.000 0.000 -5.448) 5.448 4.080 ( 0.000 0.000 -9.950) 9.950 4.120 ( 0.000 0.000 -4.333) 4.333 4.256 ( 0.000 0.000 -8.699) 8.699 4.445 ( 0.000 0.000 2.833) 2.833 4.520 ( 0.000 0.000 5.578) 5.578 4.594 ( 0.000 0.000 -4.193) 4.193 4.736 ( 0.000 0.000 -4.033) 4.033 4.909 ( 0.000 0.000 -0.198) 0.198 4.988 ( 0.000 0.000 0.071) 0.071 5.039 ( 0.000 0.000 3.585) 3.585 5.192 ( 0.000 0.000 -0.863) 0.863 5.198 ( 0.000 0.000 -4.404) 4.404 5.237 ( 0.000 0.000 2.532) 2.532 5.307 ( 0.000 0.000 -4.475) 4.475 5.332 ( 0.000 0.000 -0.257) 0.257 5.539 ( 0.000 0.000 2.785) 2.785 5.675 ( 0.000 0.000 -2.680) 2.680 5.712 ( 0.000 0.000 0.004) 0.004 5.715 ( 0.000 0.000 2.779) 2.779 5.855 ( 0.000 0.000 5.249) 5.249 5.941 ( 0.000 0.000 0.192) 0.192 6.143 ( 0.000 0.000 12.719) 12.719 6.484 ( 0.000 0.000 -1.019) 1.019 6.649 ( 0.000 0.000 2.646) 2.646 6.653 ( 0.000 0.000 7.507) 7.507 6.707 ( 0.000 0.000 7.299) 7.299 6.804 ( 0.000 0.000 -4.556) 4.556 6.933 ( 0.000 0.000 -0.044) 0.044 7.033 ( 0.000 0.000 -4.591) 4.591 7.052 ( 0.000 0.000 -2.193) 2.193 7.110 ( 0.000 0.000 -4.080) 4.080 7.279 ( 0.000 0.000 0.160) 0.160 7.318 ( 0.000 0.000 -1.290) 1.290 7.619 ( 0.000 0.000 5.508) 5.508 7.732 ( 0.000 0.000 8.457) 8.457 8.014 ( 0.000 0.000 -11.168) 11.168 8.048 ( 0.000 0.000 -4.750) 4.750 9.555 ( 0.000 0.000 -1.352) 1.352 9.556 ( 0.000 0.000 -1.769) 1.769 9.605 ( 0.000 0.000 0.837) 0.837 9.696 ( 0.000 0.000 -3.322) 3.322 10.248 ( 0.000 0.000 5.830) 5.830 10.285 ( 0.000 0.000 7.979) 7.979 10.326 ( 0.000 0.000 2.174) 2.174 10.427 ( 0.000 0.000 1.953) 1.953 10.746 ( 0.000 0.000 1.135) 1.135 10.780 ( 0.000 0.000 -0.777) 0.777 10.909 ( 0.000 0.000 -7.355) 7.355 10.936 ( 0.000 0.000 -7.725) 7.725 11.805 ( 0.000 0.000 8.147) 8.147 11.817 ( 0.000 0.000 7.958) 7.958 11.965 ( 0.000 0.000 1.212) 1.212 11.975 ( 0.000 0.000 1.150) 1.150 12.671 ( 0.000 0.000 8.370) 8.370 12.802 ( 0.000 0.000 3.834) 3.834 13.074 ( 0.000 0.000 -9.892) 9.892 13.101 ( 0.000 0.000 -13.735) 13.735 14.084 ( 0.000 0.000 6.047) 6.047 14.214 ( 0.000 0.000 0.181) 0.181 14.505 ( 0.000 0.000 5.856) 5.856 14.688 ( 0.000 0.000 -0.282) 0.282 15.064 ( 0.000 0.000 12.521) 12.521 15.222 ( 0.000 0.000 8.701) 8.701 15.440 ( 0.000 0.000 3.823) 3.823 15.489 ( 0.000 0.000 -8.142) 8.142 15.598 ( 0.000 0.000 -8.163) 8.163 15.614 ( 0.000 0.000 -4.562) 4.562 15.789 ( 0.000 0.000 1.947) 1.947 15.944 ( 0.000 0.000 -4.071) 4.071 16.028 ( 0.000 0.000 3.554) 3.554 16.142 ( 0.000 0.000 -1.681) 1.681 16.243 ( 0.000 0.000 -1.179) 1.179 16.251 ( 0.000 0.000 0.224) 0.224 16.272 ( 0.000 0.000 -2.554) 2.554 16.301 ( 0.000 0.000 -0.185) 0.185 16.413 ( 0.000 0.000 3.456) 3.456 16.722 ( 0.000 0.000 -9.818) 9.818 17.884 ( 0.000 0.000 2.183) 2.183 17.956 ( 0.000 0.000 2.021) 2.021 18.015 ( 0.000 0.000 -3.884) 3.884 18.063 ( 0.000 0.000 -3.498) 3.498 ======================= Grid point 76 (29/45) ======================= q-point: ( 0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 1.910 0.000 8.974) 9.174 1.004 ( 1.258 0.000 3.739) 3.945 1.061 ( -0.504 0.000 -2.642) 2.689 1.087 ( -2.197 0.000 -3.911) 4.486 1.248 ( -9.603 0.000 6.379) 11.528 1.356 ( 8.705 0.000 0.411) 8.715 1.369 ( -0.909 0.000 8.290) 8.340 1.526 ( 10.175 0.000 0.975) 10.222 1.700 ( -13.472 0.000 -8.200) 15.771 1.768 ( -10.983 0.000 -8.228) 13.723 1.779 ( 4.939 0.000 9.731) 10.913 1.915 ( 8.232 0.000 12.792) 15.212 1.946 ( -5.259 0.000 4.741) 7.080 2.045 ( -6.834 0.000 5.930) 9.048 2.090 ( -5.098 0.000 8.946) 10.297 2.133 ( -1.332 0.000 -0.659) 1.486 2.155 ( 0.890 0.000 0.139) 0.901 2.387 ( -0.048 0.000 4.241) 4.241 2.517 ( -4.669 0.000 -8.478) 9.679 2.564 ( -0.015 0.000 -0.613) 0.614 2.688 ( 2.048 0.000 -0.025) 2.048 2.754 ( -0.301 0.000 -2.312) 2.332 2.789 ( -4.056 0.000 0.709) 4.118 2.820 ( -3.255 0.000 -1.488) 3.579 2.996 ( -0.747 0.000 -1.354) 1.546 3.019 ( -2.567 0.000 -2.148) 3.348 3.264 ( 1.971 0.000 0.785) 2.121 3.325 ( 4.768 0.000 8.166) 9.456 3.341 ( 1.941 0.000 1.080) 2.221 3.376 ( 0.652 0.000 -2.838) 2.912 3.518 ( 2.934 0.000 -3.372) 4.470 3.564 ( -1.029 0.000 -0.127) 1.036 3.586 ( 2.972 0.000 0.974) 3.127 3.669 ( 1.209 0.000 -4.116) 4.289 3.723 ( -2.056 0.000 -8.164) 8.419 3.746 ( 4.095 0.000 -4.047) 5.757 3.921 ( -2.172 0.000 0.212) 2.183 3.982 ( -4.963 0.000 -2.728) 5.663 4.015 ( 3.693 0.000 1.621) 4.033 4.049 ( 3.033 0.000 -2.394) 3.864 4.206 ( 3.896 0.000 -7.019) 8.028 4.247 ( -0.808 0.000 -5.533) 5.592 4.421 ( -0.760 0.000 3.537) 3.618 4.538 ( 1.098 0.000 3.371) 3.545 4.603 ( -0.463 0.000 -2.570) 2.612 4.639 ( -6.610 0.000 -2.831) 7.190 4.960 ( 3.459 0.000 0.773) 3.544 4.986 ( 1.209 0.000 -0.853) 1.480 5.093 ( -5.317 0.000 -2.292) 5.790 5.147 ( 4.430 0.000 1.248) 4.602 5.205 ( 0.770 0.000 6.195) 6.242 5.299 ( 7.055 0.000 -2.656) 7.538 5.318 ( 0.016 0.000 -2.669) 2.669 5.338 ( -1.238 0.000 -0.344) 1.285 5.519 ( -0.668 0.000 -4.471) 4.521 5.587 ( -2.755 0.000 -2.024) 3.419 5.743 ( 2.774 0.000 3.198) 4.234 5.806 ( 3.480 0.000 0.586) 3.529 5.879 ( 2.060 0.000 6.196) 6.530 5.991 ( 4.553 0.000 0.760) 4.616 6.212 ( 6.771 0.000 11.034) 12.946 6.474 ( -2.286 0.000 2.611) 3.471 6.537 ( -10.344 0.000 8.151) 13.170 6.623 ( -2.928 0.000 3.008) 4.197 6.696 ( 0.451 0.000 3.600) 3.629 6.804 ( -0.481 0.000 -3.945) 3.974 6.943 ( 0.792 0.000 -1.962) 2.116 6.946 ( -4.413 0.000 -4.080) 6.011 7.135 ( 4.693 0.000 -3.474) 5.839 7.143 ( 2.881 0.000 -4.037) 4.960 7.275 ( -0.195 0.000 0.123) 0.230 7.302 ( -1.541 0.000 -1.008) 1.841 7.617 ( 0.191 0.000 4.153) 4.157 7.712 ( -1.845 0.000 7.982) 8.192 7.866 ( -11.022 0.000 -5.154) 12.168 8.010 ( -6.263 0.000 -5.107) 8.081 9.567 ( 0.935 0.000 -1.680) 1.923 9.572 ( 1.353 0.000 -1.429) 1.968 9.622 ( 1.532 0.000 -0.405) 1.584 9.691 ( -0.515 0.000 -3.375) 3.415 10.274 ( 2.482 0.000 5.533) 6.064 10.301 ( 1.928 0.000 7.290) 7.541 10.333 ( 0.622 0.000 2.650) 2.722 10.419 ( -0.696 0.000 2.254) 2.359 10.733 ( -0.981 0.000 0.373) 1.050 10.763 ( -1.155 0.000 -0.578) 1.292 10.869 ( -3.778 0.000 -6.253) 7.305 10.894 ( -3.915 0.000 -6.230) 7.358 11.899 ( 8.894 0.000 7.352) 11.540 11.938 ( 10.873 0.000 5.967) 12.403 12.014 ( 4.257 0.000 1.949) 4.682 12.093 ( 9.495 0.000 -0.508) 9.509 12.668 ( 0.092 0.000 8.260) 8.260 12.845 ( 4.814 0.000 4.270) 6.435 13.000 ( -6.367 0.000 -7.506) 9.843 13.177 ( 5.561 0.000 -13.355) 14.466 14.097 ( 1.176 0.000 4.575) 4.724 14.204 ( -1.096 0.000 0.202) 1.115 14.419 ( -20.128 0.000 6.105) 21.034 14.425 ( -7.713 0.000 3.111) 8.317 15.127 ( 3.020 0.000 9.298) 9.776 15.226 ( 0.827 0.000 4.015) 4.099 15.432 ( -4.990 0.000 -5.591) 7.494 15.453 ( 0.026 0.000 0.510) 0.511 15.528 ( -5.654 0.000 -5.727) 8.047 15.619 ( -0.453 0.000 -3.535) 3.564 15.824 ( 3.392 0.000 1.236) 3.610 15.961 ( 1.481 0.000 -3.254) 3.575 15.996 ( -1.009 0.000 3.516) 3.658 16.083 ( -4.536 0.000 -2.267) 5.071 16.234 ( 0.695 0.000 -0.580) 0.905 16.240 ( -1.797 0.000 0.133) 1.802 16.334 ( 4.705 0.000 1.266) 4.872 16.385 ( 3.662 0.000 0.223) 3.669 16.507 ( 9.511 0.000 -1.801) 9.680 16.732 ( 0.868 0.000 -9.274) 9.315 17.896 ( 1.296 0.000 1.693) 2.132 17.961 ( 0.459 0.000 1.435) 1.507 18.006 ( -0.918 0.000 -3.258) 3.385 18.044 ( -1.867 0.000 -3.026) 3.556 ======================= Grid point 77 (30/45) ======================= q-point: ( 0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 4.669 0.000 5.912) 7.533 0.965 ( -7.746 0.000 1.449) 7.881 1.044 ( 2.394 0.000 -2.349) 3.354 1.076 ( -0.349 0.000 -4.824) 4.836 1.205 ( 5.689 0.000 4.147) 7.040 1.379 ( -9.689 0.000 -2.882) 10.108 1.466 ( 7.825 0.000 -3.059) 8.402 1.532 ( -2.545 0.000 -4.144) 4.863 1.657 ( 3.066 0.000 -1.251) 3.311 1.688 ( 2.619 0.000 0.047) 2.619 1.795 ( -3.157 0.000 5.450) 6.298 1.846 ( -4.530 0.000 2.691) 5.269 1.854 ( 2.502 0.000 3.045) 3.941 1.957 ( -3.210 0.000 9.199) 9.743 1.969 ( -14.992 0.000 -4.398) 15.624 2.063 ( -7.298 0.000 10.026) 12.401 2.230 ( 11.329 0.000 6.748) 13.186 2.381 ( -4.816 0.000 -3.028) 5.689 2.450 ( 7.474 0.000 3.850) 8.408 2.618 ( -6.031 0.000 -1.169) 6.143 2.679 ( -0.539 0.000 -0.603) 0.809 2.679 ( -2.199 0.000 -0.963) 2.400 2.809 ( 2.586 0.000 0.872) 2.729 2.823 ( 2.725 0.000 0.094) 2.727 2.960 ( -2.169 0.000 -1.779) 2.805 2.968 ( -2.370 0.000 -1.766) 2.955 3.330 ( 3.142 0.000 1.726) 3.585 3.368 ( -0.677 0.000 -3.428) 3.494 3.410 ( 4.091 0.000 4.637) 6.184 3.425 ( 7.302 0.000 -4.690) 8.678 3.501 ( -4.851 0.000 0.751) 4.909 3.538 ( -2.233 0.000 -3.163) 3.872 3.628 ( 1.013 0.000 -0.569) 1.161 3.651 ( -2.234 0.000 -4.828) 5.320 3.726 ( 2.221 0.000 -9.261) 9.524 3.769 ( -1.408 0.000 -7.776) 7.902 3.894 ( -0.383 0.000 2.610) 2.638 3.914 ( -2.340 0.000 1.395) 2.725 4.098 ( 3.021 0.000 1.138) 3.228 4.104 ( 2.031 0.000 0.005) 2.031 4.239 ( 0.139 0.000 -1.609) 1.615 4.242 ( 0.331 0.000 -0.094) 0.344 4.450 ( 2.953 0.000 -0.576) 3.009 4.515 ( -4.521 0.000 -1.650) 4.812 4.560 ( 1.621 0.000 -1.006) 1.908 4.596 ( -1.653 0.000 -2.697) 3.163 4.968 ( 0.856 0.000 2.691) 2.824 5.003 ( -0.480 0.000 -0.083) 0.487 5.105 ( 2.993 0.000 1.537) 3.365 5.149 ( -1.758 0.000 1.356) 2.220 5.200 ( -1.114 0.000 8.609) 8.681 5.244 ( -5.171 0.000 1.536) 5.394 5.385 ( 4.978 0.000 -0.355) 4.991 5.424 ( 3.108 0.000 -2.885) 4.241 5.556 ( 3.188 0.000 -9.777) 10.283 5.580 ( 0.492 0.000 -6.087) 6.107 5.796 ( 2.286 0.000 4.672) 5.202 5.826 ( -0.860 0.000 2.807) 2.936 5.937 ( 5.263 0.000 4.463) 6.900 6.044 ( -1.855 0.000 -0.682) 1.976 6.358 ( -4.835 0.000 10.107) 11.204 6.370 ( 8.974 0.000 8.203) 12.158 6.388 ( -5.221 0.000 7.393) 9.051 6.528 ( -7.066 0.000 5.125) 8.729 6.741 ( 2.922 0.000 -0.961) 3.076 6.783 ( -1.652 0.000 -2.762) 3.218 6.911 ( 1.159 0.000 -5.813) 5.928 6.946 ( -1.035 0.000 -5.440) 5.538 7.195 ( 2.210 0.000 -3.633) 4.252 7.208 ( 2.044 0.000 -4.328) 4.787 7.271 ( -1.030 0.000 -0.133) 1.039 7.275 ( -0.163 0.000 -0.538) 0.562 7.629 ( 0.399 0.000 2.952) 2.979 7.681 ( -6.694 0.000 0.835) 6.746 7.706 ( 3.494 0.000 4.519) 5.712 7.845 ( -9.573 0.000 -0.964) 9.621 9.585 ( 0.766 0.000 -1.415) 1.609 9.590 ( 0.318 0.000 -1.253) 1.293 9.653 ( 1.504 0.000 -2.425) 2.854 9.676 ( -0.987 0.000 -3.284) 3.429 10.321 ( 2.052 0.000 5.368) 5.747 10.341 ( -0.072 0.000 4.007) 4.007 10.358 ( 3.279 0.000 4.941) 5.930 10.401 ( -1.328 0.000 3.311) 3.567 10.731 ( 1.286 0.000 -1.585) 2.041 10.759 ( 1.145 0.000 -1.594) 1.963 10.787 ( -4.228 0.000 -4.019) 5.833 10.812 ( -4.117 0.000 -3.768) 5.581 12.061 ( 5.975 0.000 4.376) 7.406 12.090 ( 2.408 0.000 2.734) 3.643 12.148 ( 8.902 0.000 2.599) 9.273 12.217 ( 1.953 0.000 -0.013) 1.953 12.704 ( 4.603 0.000 6.914) 8.306 12.845 ( -9.104 0.000 0.645) 9.127 12.998 ( 11.234 0.000 3.417) 11.742 13.201 ( -6.180 0.000 -6.508) 8.975 14.119 ( 1.730 0.000 2.626) 3.145 14.169 ( -2.923 0.000 2.940) 4.146 14.175 ( -1.808 0.000 0.237) 1.824 14.248 ( -9.701 0.000 -0.670) 9.724 15.198 ( 5.607 0.000 2.498) 6.138 15.253 ( 2.294 0.000 0.238) 2.306 15.325 ( -5.325 0.000 -3.392) 6.313 15.342 ( -8.702 0.000 -4.153) 9.643 15.524 ( 2.876 0.000 2.382) 3.735 15.583 ( -2.955 0.000 0.016) 2.955 15.898 ( 4.085 0.000 -1.947) 4.525 15.969 ( -2.300 0.000 -4.729) 5.258 16.004 ( 0.928 0.000 2.908) 3.052 16.015 ( -1.234 0.000 1.903) 2.269 16.221 ( 0.093 0.000 -0.133) 0.162 16.235 ( -0.770 0.000 -0.775) 1.092 16.404 ( 2.442 0.000 2.191) 3.281 16.423 ( 0.527 0.000 1.724) 1.803 16.673 ( 6.390 0.000 -5.816) 8.640 16.739 ( -0.874 0.000 -7.697) 7.747 17.933 ( 2.454 0.000 0.349) 2.478 17.974 ( 1.008 0.000 -0.103) 1.014 17.979 ( -2.035 0.000 -1.483) 2.518 18.002 ( -2.066 0.000 -1.891) 2.801 ======================= Grid point 80 (31/45) ======================= q-point: ( 0.00 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 0.000 -2.158 3.941) 4.494 0.892 ( 0.000 -8.273 -5.951) 10.191 1.108 ( 0.000 6.068 4.569) 7.596 1.174 ( 0.000 -2.219 -1.878) 2.907 1.209 ( 0.000 1.934 2.079) 2.840 1.402 ( 0.000 4.891 -2.887) 5.680 1.435 ( 0.000 0.594 13.671) 13.684 1.483 ( 0.000 0.296 19.120) 19.123 1.685 ( 0.000 1.576 5.814) 6.023 1.689 ( 0.000 -4.918 11.813) 12.796 1.897 ( 0.000 -0.944 1.410) 1.697 1.935 ( 0.000 -4.752 -2.155) 5.218 1.952 ( 0.000 1.882 -4.037) 4.455 2.021 ( 0.000 -0.766 -9.114) 9.146 2.071 ( 0.000 -1.790 -2.479) 3.057 2.179 ( 0.000 -1.557 11.486) 11.591 2.241 ( 0.000 -4.023 -3.261) 5.179 2.277 ( 0.000 1.017 7.640) 7.708 2.473 ( 0.000 3.172 -2.534) 4.060 2.640 ( 0.000 -1.569 -1.442) 2.131 2.789 ( 0.000 3.508 -1.578) 3.846 2.803 ( 0.000 1.865 -4.821) 5.170 2.854 ( 0.000 5.938 5.653) 8.199 2.903 ( 0.000 0.182 2.325) 2.332 3.040 ( 0.000 0.128 -3.532) 3.534 3.077 ( 0.000 4.884 -4.141) 6.403 3.232 ( 0.000 0.111 10.365) 10.366 3.254 ( 0.000 -0.445 4.183) 4.207 3.291 ( 0.000 -2.198 1.874) 2.888 3.362 ( 0.000 -0.602 0.041) 0.603 3.493 ( 0.000 1.140 -5.334) 5.454 3.527 ( 0.000 -1.067 -0.407) 1.142 3.571 ( 0.000 -0.375 -1.644) 1.686 3.643 ( 0.000 -0.187 -1.583) 1.594 3.690 ( 0.000 -0.273 -2.737) 2.751 3.716 ( 0.000 -2.981 -4.573) 5.459 3.940 ( 0.000 -0.917 -0.640) 1.118 3.970 ( 0.000 -1.156 -6.905) 7.001 3.986 ( 0.000 -1.517 -0.403) 1.570 4.048 ( 0.000 -2.337 -9.378) 9.665 4.176 ( 0.000 4.103 -1.711) 4.445 4.314 ( 0.000 4.550 -7.541) 8.807 4.423 ( 0.000 -1.928 2.504) 3.161 4.506 ( 0.000 -0.348 -0.769) 0.844 4.648 ( 0.000 3.648 -0.542) 3.688 4.737 ( 0.000 -0.091 -3.258) 3.259 4.859 ( 0.000 -3.814 -0.252) 3.823 4.966 ( 0.000 -2.442 -2.227) 3.305 5.047 ( 0.000 0.729 3.594) 3.667 5.154 ( 0.000 -0.865 -1.935) 2.119 5.237 ( 0.000 -0.142 0.618) 0.634 5.259 ( 0.000 1.011 -0.055) 1.013 5.286 ( 0.000 -2.285 -2.492) 3.381 5.300 ( 0.000 -0.127 -3.196) 3.198 5.494 ( 0.000 -2.905 1.837) 3.437 5.562 ( 0.000 -4.557 -0.153) 4.559 5.742 ( 0.000 1.236 4.284) 4.459 5.811 ( 0.000 2.650 -1.275) 2.940 5.881 ( 0.000 2.579 4.635) 5.304 5.927 ( 0.000 -0.167 1.880) 1.888 6.183 ( 0.000 3.333 12.507) 12.944 6.539 ( 0.000 2.064 -0.843) 2.229 6.592 ( 0.000 -2.587 8.223) 8.620 6.650 ( 0.000 0.164 2.362) 2.367 6.691 ( 0.000 -1.085 6.395) 6.486 6.835 ( 0.000 2.336 -4.583) 5.144 6.898 ( 0.000 -2.840 -2.207) 3.597 6.985 ( 0.000 -2.532 -4.557) 5.214 7.076 ( 0.000 1.858 0.216) 1.870 7.179 ( 0.000 4.029 -4.546) 6.074 7.252 ( 0.000 -2.324 0.436) 2.365 7.307 ( 0.000 -0.919 -1.968) 2.172 7.606 ( 0.000 -1.059 5.219) 5.326 7.678 ( 0.000 -3.946 6.759) 7.827 8.037 ( 0.000 1.532 -7.569) 7.723 8.056 ( 0.000 0.603 -4.146) 4.190 9.561 ( 0.000 0.501 -1.108) 1.216 9.581 ( 0.000 1.874 -2.548) 3.163 9.602 ( 0.000 -0.204 0.680) 0.710 9.689 ( 0.000 -0.605 -3.403) 3.456 10.249 ( 0.000 0.095 5.920) 5.921 10.273 ( 0.000 -0.753 6.903) 6.944 10.345 ( 0.000 1.303 3.153) 3.412 10.420 ( 0.000 -0.600 2.212) 2.292 10.749 ( 0.000 0.226 0.869) 0.898 10.776 ( 0.000 -0.346 -0.622) 0.712 10.912 ( 0.000 0.274 -7.321) 7.327 10.934 ( 0.000 -0.192 -7.636) 7.638 11.806 ( 0.000 0.076 8.132) 8.132 11.815 ( 0.000 -0.141 7.967) 7.968 11.966 ( 0.000 0.095 1.231) 1.235 11.974 ( 0.000 -0.112 1.194) 1.199 12.686 ( 0.000 1.332 7.993) 8.103 12.796 ( 0.000 -0.643 4.083) 4.133 13.075 ( 0.000 0.153 -10.029) 10.030 13.097 ( 0.000 -0.344 -13.088) 13.093 14.099 ( 0.000 1.537 6.168) 6.356 14.222 ( 0.000 0.826 0.537) 0.985 14.452 ( 0.000 -4.365 4.759) 6.458 14.538 ( 0.000 -11.224 3.261) 11.688 15.075 ( 0.000 0.900 12.618) 12.651 15.181 ( 0.000 -2.269 11.599) 11.818 15.501 ( 0.000 1.056 -7.699) 7.771 15.525 ( 0.000 5.136 -0.353) 5.148 15.584 ( 0.000 -0.863 -7.608) 7.657 15.643 ( 0.000 1.612 -4.894) 5.153 15.832 ( 0.000 3.386 1.112) 3.564 15.942 ( 0.000 -0.282 -2.798) 2.812 16.002 ( 0.000 -1.451 2.001) 2.472 16.068 ( 0.000 -3.927 -0.752) 3.998 16.239 ( 0.000 -0.370 -1.264) 1.316 16.246 ( 0.000 -0.233 0.112) 0.258 16.305 ( 0.000 2.050 -1.740) 2.689 16.346 ( 0.000 0.868 3.118) 3.236 16.461 ( 0.000 4.594 -3.476) 5.761 16.689 ( 0.000 -2.727 -9.215) 9.610 17.902 ( 0.000 1.495 2.179) 2.642 17.958 ( 0.000 0.074 2.075) 2.076 18.034 ( 0.000 1.473 -3.906) 4.175 18.067 ( 0.000 0.347 -3.446) 3.464 ======================= Grid point 81 (32/45) ======================= q-point: ( 0.20 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 2.324 -1.806 3.772) 4.785 0.924 ( 2.410 -7.318 -6.285) 9.943 1.039 ( -2.330 2.222 1.206) 3.438 1.172 ( -2.024 4.151 4.197) 6.240 1.223 ( -5.250 -1.726 4.422) 7.077 1.370 ( -1.560 1.031 8.909) 9.103 1.410 ( 4.799 3.376 1.851) 6.152 1.505 ( 7.190 -1.424 2.375) 7.705 1.709 ( -12.018 0.459 -4.195) 12.737 1.738 ( -1.393 -2.417 0.638) 2.862 1.795 ( -8.173 0.160 -2.246) 8.478 1.881 ( 6.668 -0.362 9.009) 11.214 1.945 ( -3.213 -5.186 0.601) 6.130 1.982 ( 4.104 -0.224 8.516) 9.456 2.076 ( -6.699 0.002 9.753) 11.832 2.169 ( 0.403 1.077 0.655) 1.323 2.172 ( -4.451 0.940 1.504) 4.791 2.333 ( 1.203 -3.230 3.268) 4.749 2.506 ( -1.227 -0.548 -8.349) 8.456 2.610 ( -3.499 -0.020 -4.684) 5.847 2.720 ( -3.186 1.553 1.194) 3.740 2.763 ( -2.178 5.124 -1.399) 5.741 2.796 ( 0.955 2.309 -0.425) 2.534 2.891 ( -2.108 1.825 0.762) 2.890 3.015 ( -1.078 2.657 -1.644) 3.305 3.071 ( -2.197 3.868 -1.521) 4.701 3.239 ( 1.385 -2.105 1.307) 2.838 3.298 ( 1.599 -1.566 7.251) 7.589 3.330 ( 2.704 -1.333 0.099) 3.016 3.360 ( 0.571 -1.410 -1.619) 2.222 3.508 ( 1.153 0.034 -3.254) 3.453 3.579 ( 0.359 -0.111 -1.270) 1.325 3.589 ( 2.967 0.609 0.442) 3.061 3.658 ( 0.869 -0.878 -4.477) 4.645 3.699 ( -0.549 -1.451 -5.364) 5.584 3.740 ( 4.442 -0.926 -2.960) 5.417 3.878 ( -2.705 -2.203 -1.389) 3.755 3.963 ( -0.773 -2.601 -2.925) 3.990 4.037 ( 1.761 2.027 2.487) 3.660 4.071 ( 3.463 0.917 -2.287) 4.250 4.204 ( 2.497 0.643 -4.393) 5.094 4.287 ( -1.525 3.592 -6.085) 7.229 4.394 ( -1.589 -2.182 2.466) 3.656 4.526 ( -0.548 -0.799 -2.025) 2.244 4.642 ( -1.552 2.010 -2.399) 3.493 4.695 ( -1.466 5.182 1.736) 5.658 4.867 ( 1.052 -5.826 -0.573) 5.948 5.024 ( 4.177 1.248 0.051) 4.360 5.054 ( -4.669 -1.316 -2.786) 5.594 5.155 ( 4.423 -2.166 4.057) 6.381 5.172 ( -2.131 -2.470 -2.808) 4.304 5.255 ( -0.238 -4.229 1.213) 4.406 5.327 ( 5.727 2.963 -2.056) 6.768 5.372 ( 1.468 2.539 -0.074) 2.934 5.508 ( 3.206 -0.886 -3.675) 4.956 5.586 ( 0.528 -2.703 0.846) 2.881 5.697 ( -2.745 1.236 1.469) 3.350 5.815 ( 1.684 -1.003 2.597) 3.254 5.915 ( 2.055 1.107 2.847) 3.681 5.988 ( 4.578 0.571 2.259) 5.137 6.239 ( 5.297 2.292 11.750) 13.091 6.479 ( -7.887 -3.718 8.134) 11.924 6.525 ( -5.060 2.836 4.240) 7.185 6.615 ( -3.653 -0.584 3.537) 5.118 6.709 ( 3.070 1.459 1.238) 3.618 6.836 ( -0.138 2.426 -4.106) 4.771 6.897 ( 0.091 -2.024 -4.865) 5.270 6.989 ( -0.142 1.127 -1.885) 2.201 7.072 ( 1.006 -1.697 -3.151) 3.717 7.220 ( 2.827 2.978 -3.275) 5.252 7.242 ( -0.386 -2.255 -0.403) 2.323 7.299 ( -0.656 -0.285 -1.113) 1.323 7.597 ( -0.749 -1.668 3.595) 4.033 7.647 ( -3.006 -4.334 6.023) 8.005 7.916 ( -8.906 3.188 -2.824) 9.872 8.015 ( -5.959 0.244 -3.759) 7.050 9.578 ( 1.276 0.563 -1.514) 2.058 9.588 ( 0.741 1.657 -2.094) 2.772 9.619 ( 1.544 -0.271 -0.458) 1.633 9.685 ( -0.439 -0.534 -3.404) 3.473 10.270 ( 1.945 -0.243 5.356) 5.704 10.291 ( 2.092 -0.631 6.368) 6.733 10.351 ( 0.658 1.269 3.597) 3.870 10.415 ( -0.438 -0.390 2.620) 2.685 10.736 ( -0.986 0.216 0.154) 1.021 10.760 ( -1.131 -0.281 -0.596) 1.309 10.873 ( -3.746 0.288 -6.165) 7.219 10.892 ( -3.859 -0.137 -6.162) 7.272 11.896 ( 8.348 -0.115 6.899) 10.830 11.929 ( 10.085 -0.758 5.812) 11.664 12.024 ( 5.346 0.842 2.137) 5.819 12.087 ( 9.480 -0.559 0.212) 9.499 12.684 ( 0.175 1.446 7.892) 8.025 12.828 ( 3.553 -1.517 4.377) 5.838 13.010 ( -5.760 0.961 -7.454) 9.469 13.156 ( 3.993 -1.930 -11.988) 12.782 14.105 ( 0.590 0.820 4.744) 4.851 14.209 ( -1.307 0.592 0.514) 1.524 14.341 ( -13.939 -5.512 6.207) 16.224 14.392 ( -7.748 -3.566 3.250) 9.127 15.110 ( 2.678 -1.103 8.921) 9.379 15.174 ( 0.058 -2.818 7.538) 8.048 15.429 ( -6.337 -0.201 -6.688) 9.216 15.497 ( -5.411 -0.747 -4.898) 7.337 15.513 ( -3.700 4.154 -2.734) 6.199 15.696 ( 4.420 2.883 -3.748) 6.472 15.860 ( 2.412 3.317 1.005) 4.223 15.957 ( 1.717 -0.530 -1.879) 2.600 15.997 ( 1.148 0.829 1.208) 1.862 16.112 ( -5.892 1.725 -0.732) 6.183 16.195 ( 2.700 -3.398 1.726) 4.671 16.249 ( 0.610 0.530 -0.592) 1.002 16.283 ( 0.160 -2.469 -0.655) 2.559 16.381 ( 3.483 -0.623 -1.131) 3.715 16.546 ( 4.204 2.677 -2.240) 5.464 16.724 ( 3.895 -0.988 -8.387) 9.300 17.913 ( 1.167 1.390 1.676) 2.470 17.962 ( 0.488 0.103 1.428) 1.513 18.024 ( -1.031 1.394 -3.211) 3.649 18.050 ( -1.685 0.487 -2.932) 3.417 ======================= Grid point 82 (33/45) ======================= q-point: ( 0.40 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 2.642 -1.408 1.735) 3.460 0.957 ( 1.117 -1.316 -0.337) 1.759 1.017 ( 0.179 -1.543 -2.113) 2.622 1.080 ( -5.407 0.023 -1.194) 5.537 1.218 ( 4.641 1.015 4.611) 6.620 1.388 ( -4.373 0.654 -1.683) 4.732 1.488 ( 1.722 -0.407 -1.519) 2.332 1.530 ( 4.321 0.338 0.672) 4.386 1.566 ( -4.272 -2.215 -1.605) 5.073 1.700 ( -5.631 -3.646 1.508) 6.876 1.770 ( 8.936 1.384 -1.090) 9.108 1.805 ( -3.494 -1.839 1.417) 4.195 1.918 ( -2.847 2.907 0.596) 4.112 1.965 ( -3.872 1.484 4.230) 5.924 2.029 ( -11.723 2.277 0.281) 11.945 2.034 ( -4.827 -1.457 10.075) 11.266 2.212 ( 10.025 -0.513 6.560) 11.991 2.363 ( 0.396 -1.406 2.291) 2.717 2.447 ( 1.345 -1.712 -1.532) 2.662 2.556 ( -6.826 -4.393 -1.058) 8.186 2.681 ( 0.498 2.232 -0.410) 2.323 2.765 ( -0.227 6.947 0.560) 6.973 2.849 ( 4.301 2.014 0.980) 4.850 2.906 ( 3.072 4.703 -0.651) 5.655 2.967 ( -4.068 1.101 -1.595) 4.506 3.003 ( -3.696 3.341 -1.223) 5.131 3.281 ( 1.051 -4.157 0.377) 4.305 3.321 ( 1.773 -5.419 1.799) 5.979 3.370 ( 1.350 -0.198 -2.017) 2.435 3.411 ( 4.997 -1.480 -2.985) 6.006 3.508 ( -2.280 -1.470 -4.544) 5.292 3.531 ( -2.897 0.484 0.522) 2.983 3.628 ( 0.707 -0.762 0.329) 1.090 3.648 ( -1.176 0.480 -5.865) 6.001 3.717 ( 1.255 0.073 -6.395) 6.517 3.777 ( -0.239 -0.568 -5.579) 5.613 3.854 ( -0.279 -1.307 0.479) 1.420 3.973 ( -0.154 3.028 0.738) 3.121 4.049 ( 1.839 -2.251 3.015) 4.188 4.149 ( 2.554 1.674 2.035) 3.669 4.234 ( 0.260 -0.048 -0.902) 0.940 4.270 ( -0.419 2.691 -3.118) 4.140 4.402 ( 1.724 -3.368 -2.527) 4.550 4.483 ( -2.207 -1.162 -2.426) 3.479 4.609 ( -1.322 2.024 -2.147) 3.233 4.685 ( -0.398 7.068 0.395) 7.090 4.873 ( -0.530 -6.531 -0.401) 6.564 5.021 ( 2.836 0.247 2.273) 3.643 5.070 ( -0.265 -0.841 0.517) 1.021 5.115 ( -2.750 -2.144 5.780) 6.750 5.237 ( 1.867 1.644 3.870) 4.600 5.273 ( 0.508 -3.128 1.112) 3.358 5.377 ( 1.223 2.558 -0.861) 2.963 5.432 ( 2.786 1.646 -2.220) 3.924 5.576 ( 2.563 0.768 -7.356) 7.827 5.589 ( 0.741 -0.044 -4.242) 4.307 5.678 ( -0.094 -3.248 3.401) 4.703 5.886 ( 5.999 -2.285 2.227) 6.795 5.934 ( 0.007 1.288 3.843) 4.054 6.019 ( -3.363 -1.727 -0.044) 3.780 6.342 ( -2.028 -0.800 10.023) 10.258 6.363 ( 5.776 -0.157 9.753) 11.336 6.415 ( -4.750 1.523 6.837) 8.463 6.511 ( -6.956 -1.218 5.045) 8.679 6.790 ( 3.836 4.154 -1.290) 5.799 6.831 ( -0.605 3.639 -2.955) 4.726 6.907 ( 1.160 0.460 -7.054) 7.163 6.979 ( -0.735 2.078 -3.913) 4.491 7.116 ( 2.472 -3.965 -4.595) 6.553 7.214 ( -0.803 -3.602 -0.303) 3.703 7.265 ( -0.943 1.051 -1.202) 1.854 7.303 ( 1.790 2.230 -2.373) 3.716 7.553 ( -3.145 -4.110 3.333) 6.155 7.629 ( 1.854 -4.488 1.524) 5.090 7.771 ( -4.957 4.317 1.657) 6.779 7.878 ( -6.189 1.693 0.720) 6.456 9.593 ( 0.361 0.790 -1.973) 2.156 9.605 ( 0.604 1.153 -1.201) 1.771 9.649 ( 1.433 -0.340 -2.373) 2.793 9.672 ( -0.884 -0.388 -3.170) 3.314 10.306 ( 1.379 -0.613 4.345) 4.599 10.342 ( 2.340 -1.134 4.283) 5.010 10.365 ( 0.535 1.354 5.042) 5.248 10.406 ( -0.418 0.231 4.124) 4.151 10.733 ( 1.137 0.159 -1.844) 2.172 10.755 ( 1.019 -0.308 -1.835) 2.122 10.792 ( -4.043 0.399 -3.770) 5.543 10.812 ( -3.961 -0.028 -3.598) 5.351 12.034 ( 4.212 -1.096 3.449) 5.553 12.111 ( 6.498 -2.564 1.851) 7.226 12.135 ( 4.535 2.687 3.188) 6.160 12.232 ( 4.333 0.617 1.113) 4.516 12.719 ( 4.347 1.448 6.576) 8.015 12.862 ( -8.159 1.564 0.855) 8.351 12.942 ( 7.057 -4.143 3.482) 8.894 13.166 ( -4.245 -3.592 -4.519) 7.166 14.120 ( 1.515 0.148 2.478) 2.909 14.159 ( -1.943 -0.759 2.957) 3.618 14.176 ( -1.890 0.161 0.527) 1.969 14.234 ( -8.331 -1.168 -0.142) 8.413 15.182 ( 5.619 -1.479 2.447) 6.304 15.204 ( 3.086 -2.771 1.258) 4.334 15.303 ( -6.112 -2.317 -2.947) 7.170 15.329 ( -9.176 -1.357 -4.319) 10.232 15.489 ( -0.620 4.178 0.077) 4.224 15.781 ( 4.002 7.278 -1.930) 8.527 15.884 ( -0.857 0.511 -1.833) 2.087 15.977 ( -1.037 0.546 -2.974) 3.197 16.014 ( -0.469 0.712 3.125) 3.239 16.027 ( 0.595 1.503 1.843) 2.451 16.206 ( 0.535 -1.524 -0.141) 1.621 16.237 ( -1.768 -0.005 -1.447) 2.285 16.321 ( 1.306 -3.862 3.107) 5.126 16.483 ( 6.067 -1.862 -3.345) 7.174 16.564 ( -1.993 -0.671 -2.755) 3.466 16.804 ( 2.889 1.096 -6.608) 7.294 17.946 ( 2.119 1.018 0.228) 2.362 17.975 ( 0.733 0.089 -0.355) 0.819 17.995 ( -2.038 1.278 -1.239) 2.706 18.015 ( -1.478 0.958 -1.578) 2.365 ======================= Grid point 85 (34/45) ======================= q-point: ( 0.00 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 0.000 -1.621 -8.038) 8.199 0.729 ( 0.000 -5.382 -11.050) 12.291 1.159 ( 0.000 0.850 2.305) 2.456 1.188 ( 0.000 -0.864 1.787) 1.985 1.305 ( 0.000 8.439 8.897) 12.263 1.438 ( 0.000 -1.058 10.232) 10.286 1.484 ( 0.000 -0.213 16.400) 16.402 1.501 ( 0.000 -0.899 10.436) 10.475 1.603 ( 0.000 2.662 4.464) 5.198 1.726 ( 0.000 -0.619 6.839) 6.867 1.794 ( 0.000 -4.208 -0.081) 4.209 1.844 ( 0.000 -3.677 3.828) 5.308 1.985 ( 0.000 0.973 -3.465) 3.599 2.001 ( 0.000 -0.709 -4.545) 4.600 2.079 ( 0.000 1.388 -7.704) 7.828 2.119 ( 0.000 -2.445 -5.282) 5.820 2.231 ( 0.000 1.546 7.428) 7.587 2.269 ( 0.000 -1.445 7.123) 7.268 2.531 ( 0.000 2.500 -2.992) 3.899 2.588 ( 0.000 -2.698 -3.344) 4.297 2.843 ( 0.000 1.289 -0.905) 1.575 2.852 ( 0.000 0.734 -1.164) 1.376 2.932 ( 0.000 3.234 1.348) 3.504 2.976 ( 0.000 2.186 2.312) 3.182 3.056 ( 0.000 2.552 0.199) 2.560 3.132 ( 0.000 -1.352 0.929) 1.640 3.247 ( 0.000 0.162 0.884) 0.899 3.251 ( 0.000 -0.764 0.876) 1.162 3.259 ( 0.000 2.530 7.169) 7.603 3.328 ( 0.000 -2.676 0.226) 2.685 3.514 ( 0.000 0.375 -1.871) 1.908 3.521 ( 0.000 0.735 -6.111) 6.155 3.572 ( 0.000 1.068 0.798) 1.333 3.622 ( 0.000 -2.382 -2.753) 3.640 3.658 ( 0.000 -1.049 -0.641) 1.230 3.669 ( 0.000 -1.373 -1.910) 2.353 3.932 ( 0.000 0.384 -1.702) 1.745 3.950 ( 0.000 -0.846 -0.730) 1.117 3.963 ( 0.000 0.094 -8.305) 8.305 3.995 ( 0.000 -2.272 -8.644) 8.938 4.273 ( 0.000 4.471 1.096) 4.604 4.360 ( 0.000 -3.287 1.682) 3.692 4.430 ( 0.000 4.866 -5.529) 7.366 4.501 ( 0.000 -1.057 -5.046) 5.156 4.703 ( 0.000 0.486 0.010) 0.486 4.721 ( 0.000 -1.366 -1.734) 2.207 4.809 ( 0.000 1.215 -2.245) 2.553 4.884 ( 0.000 -4.380 -4.403) 6.211 5.075 ( 0.000 1.991 2.938) 3.549 5.135 ( 0.000 -2.885 0.500) 2.928 5.191 ( 0.000 0.731 2.235) 2.351 5.236 ( 0.000 -2.315 -1.114) 2.569 5.302 ( 0.000 1.485 -4.356) 4.603 5.318 ( 0.000 0.445 -3.455) 3.484 5.455 ( 0.000 -0.067 1.989) 1.991 5.487 ( 0.000 -2.564 1.194) 2.828 5.764 ( 0.000 1.238 3.687) 3.889 5.802 ( 0.000 -1.975 1.202) 2.312 5.942 ( 0.000 2.102 4.071) 4.582 5.952 ( 0.000 1.109 3.196) 3.383 6.279 ( 0.000 5.528 11.886) 13.109 6.421 ( 0.000 -7.179 10.038) 12.341 6.653 ( 0.000 0.710 5.283) 5.331 6.669 ( 0.000 -0.877 5.411) 5.481 6.697 ( 0.000 6.008 -4.021) 7.230 6.817 ( 0.000 -4.627 -3.842) 6.014 6.889 ( 0.000 2.378 -5.049) 5.581 6.936 ( 0.000 -2.045 -4.808) 5.225 7.124 ( 0.000 2.551 1.968) 3.222 7.188 ( 0.000 -3.204 1.306) 3.460 7.252 ( 0.000 2.369 -4.717) 5.278 7.285 ( 0.000 -1.037 -3.592) 3.739 7.585 ( 0.000 -0.435 5.249) 5.267 7.603 ( 0.000 -2.309 5.845) 6.285 8.063 ( 0.000 0.709 -4.186) 4.246 8.067 ( 0.000 0.270 -3.424) 3.435 9.575 ( 0.000 0.684 -0.553) 0.880 9.589 ( 0.000 -0.559 -0.073) 0.563 9.631 ( 0.000 2.064 -3.168) 3.781 9.668 ( 0.000 -1.322 -3.505) 3.746 10.252 ( 0.000 0.228 6.125) 6.129 10.260 ( 0.000 -0.477 6.384) 6.402 10.374 ( 0.000 1.356 3.276) 3.545 10.401 ( 0.000 -1.081 2.796) 2.998 10.756 ( 0.000 0.427 0.298) 0.521 10.767 ( 0.000 -0.497 -0.238) 0.551 10.920 ( 0.000 0.392 -7.317) 7.328 10.928 ( 0.000 -0.343 -7.446) 7.454 11.808 ( 0.000 0.141 8.077) 8.079 11.812 ( 0.000 -0.182 8.008) 8.010 11.968 ( 0.000 0.125 1.262) 1.268 11.971 ( 0.000 -0.128 1.254) 1.260 12.725 ( 0.000 2.134 6.826) 7.152 12.770 ( 0.000 -1.740 5.184) 5.469 13.080 ( 0.000 0.292 -10.558) 10.562 13.088 ( 0.000 -0.440 -11.684) 11.692 14.160 ( 0.000 4.334 6.576) 7.876 14.258 ( 0.000 2.384 1.758) 2.962 14.305 ( 0.000 -8.580 6.071) 10.511 14.345 ( 0.000 -4.807 2.799) 5.563 15.101 ( 0.000 1.483 12.749) 12.835 15.137 ( 0.000 -1.813 12.652) 12.782 15.530 ( 0.000 1.480 -7.708) 7.848 15.561 ( 0.000 -1.276 -7.662) 7.767 15.616 ( 0.000 3.110 -2.806) 4.189 15.658 ( 0.000 -0.571 -4.289) 4.327 15.899 ( 0.000 2.030 1.066) 2.293 15.926 ( 0.000 -0.988 0.896) 1.333 15.996 ( 0.000 0.650 -1.459) 1.598 16.013 ( 0.000 -1.137 -1.613) 1.973 16.232 ( 0.000 -0.065 -1.546) 1.547 16.238 ( 0.000 -0.472 -1.000) 1.106 16.337 ( 0.000 0.740 0.559) 0.928 16.345 ( 0.000 -0.308 3.377) 3.391 16.556 ( 0.000 3.503 -7.460) 8.241 16.623 ( 0.000 -3.020 -8.214) 8.751 17.936 ( 0.000 1.343 2.137) 2.524 17.955 ( 0.000 -0.409 2.097) 2.137 18.064 ( 0.000 0.997 -3.687) 3.820 18.073 ( 0.000 0.068 -3.442) 3.442 ======================= Grid point 86 (35/45) ======================= q-point: ( 0.20 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 3.928 -0.607 -5.597) 6.864 0.776 ( 4.708 -5.215 -8.527) 11.049 1.095 ( -4.596 2.806 2.171) 5.806 1.161 ( -4.805 -3.081 2.254) 6.137 1.295 ( -2.015 5.901 11.144) 12.770 1.380 ( -3.197 -1.046 11.900) 12.366 1.471 ( 5.550 1.055 3.976) 6.908 1.494 ( -0.919 0.225 1.642) 1.895 1.668 ( 2.188 -0.524 2.506) 3.368 1.718 ( -7.707 -1.585 -1.430) 7.997 1.793 ( -11.664 0.018 -6.319) 13.266 1.821 ( -3.362 -4.004 -4.302) 6.771 1.911 ( 10.049 2.215 9.174) 13.786 1.960 ( 9.020 -2.011 10.481) 13.974 2.110 ( -8.101 2.481 5.009) 9.842 2.158 ( -7.564 -1.666 4.027) 8.730 2.206 ( 2.311 2.236 0.890) 3.336 2.266 ( 2.378 -3.008 2.391) 4.519 2.513 ( -2.783 1.281 -7.655) 8.246 2.559 ( -3.433 -2.765 -6.620) 7.953 2.783 ( -5.260 2.239 -0.284) 5.724 2.814 ( -1.821 -0.667 -0.603) 2.031 2.892 ( 0.851 5.191 -0.912) 5.339 2.933 ( -0.443 1.769 -0.939) 2.051 3.073 ( 0.024 1.930 0.895) 2.128 3.115 ( -2.402 -1.322 -0.070) 2.743 3.225 ( -1.792 1.912 1.685) 3.116 3.266 ( -1.663 -1.580 1.910) 2.985 3.304 ( 2.954 -0.331 1.858) 3.505 3.323 ( 1.489 -1.723 1.762) 2.879 3.526 ( -0.441 1.421 -5.102) 5.315 3.559 ( -0.636 -1.443 -4.566) 4.831 3.600 ( 2.109 0.684 0.487) 2.270 3.630 ( 1.173 -1.710 -2.935) 3.594 3.683 ( 3.653 0.319 -0.933) 3.783 3.708 ( 4.902 -1.669 -1.559) 5.408 3.858 ( -2.789 0.674 -3.020) 4.166 3.901 ( -1.718 -2.791 -3.063) 4.486 4.066 ( 4.962 0.741 0.320) 5.027 4.076 ( 5.378 -0.247 -0.969) 5.470 4.256 ( -1.072 3.522 -0.674) 3.743 4.332 ( -2.413 -3.146 1.552) 4.257 4.389 ( -1.977 5.056 -6.108) 8.172 4.487 ( -2.067 -3.253 -5.044) 6.348 4.685 ( -1.821 2.037 -1.684) 3.209 4.745 ( 0.945 -3.836 -0.618) 3.998 4.834 ( 3.083 6.345 1.449) 7.201 4.978 ( 6.664 -6.182 0.166) 9.091 5.052 ( -4.422 1.445 -4.117) 6.213 5.104 ( -4.908 -3.056 -3.796) 6.916 5.127 ( 0.594 1.353 2.031) 2.511 5.180 ( 1.894 -2.950 2.833) 4.508 5.400 ( 5.624 3.006 -1.215) 6.492 5.432 ( 5.653 2.142 -0.500) 6.066 5.475 ( 3.212 -1.327 -0.034) 3.475 5.517 ( 2.399 -2.965 0.225) 3.821 5.745 ( -2.228 1.997 2.021) 3.610 5.786 ( -0.830 -1.699 1.418) 2.363 5.937 ( 0.693 2.243 2.909) 3.738 5.989 ( 1.818 -1.430 2.914) 3.720 6.301 ( 1.833 3.270 12.177) 12.740 6.382 ( -3.661 -4.272 11.083) 12.430 6.581 ( -6.567 1.649 5.005) 8.420 6.603 ( -5.069 -0.594 4.535) 6.827 6.766 ( 5.504 3.467 -3.431) 7.354 6.837 ( 2.395 -2.692 -5.057) 6.209 6.906 ( 1.839 2.832 -4.878) 5.932 6.966 ( 2.981 -2.473 -4.329) 5.809 7.091 ( -3.185 2.657 0.167) 4.151 7.164 ( -2.372 -3.757 0.184) 4.447 7.282 ( 2.668 1.623 -3.337) 4.570 7.296 ( 0.986 -0.040 -2.023) 2.251 7.561 ( -2.547 -1.116 3.743) 4.663 7.570 ( -2.978 -2.138 4.827) 6.061 7.977 ( -7.070 2.248 -1.738) 7.620 8.011 ( -6.031 -0.810 -2.055) 6.423 9.592 ( 1.484 0.732 -1.122) 2.000 9.607 ( 1.561 -0.502 -0.990) 1.915 9.632 ( 0.126 1.800 -2.768) 3.304 9.666 ( -0.251 -1.213 -3.355) 3.576 10.269 ( 1.647 0.187 5.372) 5.622 10.277 ( 1.888 -0.566 5.738) 6.067 10.379 ( 0.508 1.209 3.818) 4.037 10.402 ( 0.089 -0.829 3.351) 3.453 10.742 ( -1.011 0.390 -0.268) 1.116 10.752 ( -1.069 -0.427 -0.542) 1.272 10.880 ( -3.712 0.378 -6.040) 7.100 10.888 ( -3.757 -0.287 -6.048) 7.125 11.898 ( 7.923 0.301 6.165) 10.043 11.910 ( 8.640 -0.807 5.763) 10.418 12.047 ( 7.353 1.116 2.122) 7.734 12.070 ( 8.899 -0.959 1.438) 9.066 12.728 ( 0.577 2.474 6.748) 7.210 12.784 ( 1.636 -2.442 5.223) 5.993 13.043 ( -3.809 2.096 -7.730) 8.868 13.100 ( -0.042 -2.895 -9.278) 9.719 14.138 ( -1.613 2.411 5.474) 6.195 14.218 ( -6.495 -4.770 6.532) 10.373 14.237 ( -2.506 1.958 1.178) 3.392 14.304 ( -4.249 -3.900 2.019) 6.111 15.102 ( 0.732 0.494 9.043) 9.086 15.127 ( -0.185 -1.648 9.030) 9.181 15.439 ( -7.936 0.999 -7.207) 10.766 15.467 ( -7.965 -1.426 -7.371) 10.945 15.624 ( -0.030 4.818 -2.425) 5.394 15.701 ( 3.292 -1.985 -3.282) 5.055 15.928 ( 2.825 1.963 0.219) 3.447 15.947 ( 2.607 -0.348 -0.308) 2.648 16.034 ( 3.116 2.361 -0.117) 3.911 16.098 ( 4.800 -3.382 0.135) 5.874 16.161 ( -5.325 1.631 0.979) 5.654 16.211 ( -2.191 -2.620 -0.315) 3.430 16.303 ( -1.356 2.477 -1.642) 3.267 16.353 ( 0.396 -1.874 -1.345) 2.341 16.611 ( 3.425 3.252 -4.308) 6.392 16.681 ( 5.330 -2.870 -6.533) 8.906 17.944 ( 0.852 1.203 1.546) 2.136 17.961 ( 0.592 -0.336 1.422) 1.576 18.052 ( -1.169 0.929 -2.949) 3.305 18.059 ( -1.344 0.206 -2.824) 3.134 ======================= Grid point 87 (36/45) ======================= q-point: ( 0.40 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 4.295 1.527 -3.137) 5.534 0.889 ( 6.616 -4.215 -3.696) 8.671 1.013 ( -3.315 1.069 -0.563) 3.528 1.053 ( -6.241 -2.208 -0.490) 6.638 1.270 ( -0.421 3.952 7.940) 8.879 1.369 ( 1.258 -4.174 7.256) 8.465 1.448 ( -3.992 1.202 -0.385) 4.187 1.505 ( -3.647 -3.358 1.621) 5.216 1.609 ( 1.113 4.640 -3.578) 5.964 1.705 ( 3.611 -2.769 -2.467) 5.177 1.718 ( -0.777 2.288 -1.865) 3.052 1.793 ( 1.075 -2.340 -1.739) 3.107 1.964 ( -3.343 1.522 1.380) 3.924 1.986 ( -7.335 -0.679 2.784) 7.875 2.016 ( -1.437 1.800 4.570) 5.117 2.055 ( -4.516 -0.939 3.494) 5.786 2.240 ( 7.550 3.164 5.357) 9.783 2.321 ( 5.367 -3.268 5.341) 8.247 2.412 ( -6.446 0.404 -2.542) 6.940 2.465 ( -6.565 -3.747 -0.606) 7.583 2.752 ( 1.018 4.047 -0.950) 4.280 2.837 ( 3.744 -2.996 -0.814) 4.864 2.937 ( 1.024 6.652 0.935) 6.795 2.974 ( 2.174 2.066 -0.225) 3.007 3.015 ( -4.248 2.568 0.018) 4.964 3.086 ( 1.000 1.401 -1.538) 2.307 3.177 ( -3.368 -2.995 0.493) 4.534 3.219 ( -1.644 -3.793 -0.155) 4.137 3.362 ( 2.591 -0.157 -1.431) 2.965 3.376 ( 3.501 -1.412 -1.116) 3.936 3.486 ( -3.668 -0.182 -4.809) 6.051 3.507 ( -2.392 -1.845 -4.281) 5.239 3.636 ( 1.305 1.527 0.995) 2.242 3.667 ( 2.424 -0.041 -4.340) 4.971 3.706 ( -1.423 0.125 -3.168) 3.475 3.744 ( -0.947 -2.161 -4.972) 5.503 3.871 ( 2.510 2.779 0.332) 3.759 3.951 ( 4.698 -3.857 2.172) 6.455 4.077 ( -2.154 3.537 2.468) 4.821 4.144 ( 0.623 -2.149 3.815) 4.422 4.261 ( 0.819 2.476 -2.297) 3.476 4.321 ( 1.707 -2.259 -2.427) 3.730 4.362 ( -1.260 3.583 -5.198) 6.438 4.444 ( -1.635 -2.821 -4.508) 5.563 4.658 ( -0.903 2.627 -0.804) 2.892 4.738 ( -0.687 -5.006 -0.668) 5.097 4.847 ( -1.768 7.172 1.096) 7.467 4.986 ( -2.385 -5.417 1.564) 6.122 5.046 ( 4.196 2.577 2.182) 5.386 5.134 ( 4.017 -2.896 2.471) 5.534 5.161 ( 0.825 0.184 1.736) 1.931 5.224 ( 1.334 -2.724 2.094) 3.686 5.451 ( -0.258 3.536 0.588) 3.593 5.508 ( 2.991 4.054 -1.974) 5.410 5.528 ( 0.680 -3.399 0.738) 3.544 5.576 ( 2.914 -1.720 -4.452) 5.592 5.707 ( -0.690 3.875 -0.534) 3.972 5.803 ( 2.391 -4.490 0.932) 5.172 5.943 ( -0.429 0.658 2.306) 2.437 5.980 ( -2.811 -2.121 1.501) 3.828 6.339 ( 1.076 0.500 10.753) 10.818 6.354 ( 3.808 -0.674 10.287) 10.990 6.450 ( -6.238 1.650 6.259) 8.989 6.483 ( -6.603 -1.375 5.372) 8.623 6.888 ( 5.976 3.644 -2.903) 7.578 6.901 ( 3.441 1.916 -4.708) 6.138 6.945 ( 1.412 2.867 -6.231) 7.003 7.013 ( -3.740 -0.783 -3.177) 4.969 7.039 ( 2.806 -0.735 -3.507) 4.551 7.117 ( -1.818 -4.895 -0.595) 5.255 7.291 ( -1.188 2.083 0.223) 2.408 7.336 ( 1.676 -0.591 -1.718) 2.472 7.492 ( -2.936 -0.399 2.370) 3.794 7.537 ( -0.470 -3.615 0.206) 3.651 7.853 ( -4.449 2.901 1.638) 5.559 7.892 ( -4.607 -0.589 1.562) 4.900 9.615 ( 0.638 1.105 -2.292) 2.623 9.632 ( 0.535 0.868 -2.063) 2.301 9.638 ( 0.760 -0.337 -2.153) 2.308 9.658 ( -0.527 -0.898 -2.727) 2.919 10.302 ( 1.328 0.294 3.876) 4.108 10.317 ( 1.604 -1.020 3.851) 4.294 10.391 ( 0.511 0.981 5.340) 5.453 10.406 ( 0.237 -0.354 4.988) 5.006 10.738 ( 0.941 0.339 -2.178) 2.397 10.747 ( 0.897 -0.408 -2.160) 2.374 10.802 ( -3.805 0.436 -3.443) 5.150 10.809 ( -3.772 -0.226 -3.387) 5.074 12.027 ( 4.070 0.524 2.676) 4.899 12.057 ( 4.817 -2.104 2.006) 5.626 12.191 ( 5.597 2.335 2.688) 6.634 12.229 ( 5.684 -0.964 2.028) 6.111 12.766 ( 3.711 2.823 5.495) 7.207 12.841 ( 4.101 -3.929 4.218) 7.074 12.932 ( -6.933 4.201 0.915) 8.158 13.051 ( -4.571 -6.179 -0.943) 7.743 14.127 ( 0.867 0.498 2.457) 2.653 14.141 ( -0.165 -0.796 2.768) 2.885 14.184 ( -2.795 0.653 0.865) 2.997 14.206 ( -5.209 -1.265 0.657) 5.400 15.152 ( 4.800 -0.438 2.223) 5.308 15.164 ( 4.553 -1.234 1.945) 5.103 15.278 ( -8.142 0.130 -3.801) 8.987 15.298 ( -8.832 -1.384 -4.445) 9.984 15.620 ( -0.194 6.719 -2.146) 7.057 15.755 ( 1.976 -5.196 -3.440) 6.537 15.976 ( 1.214 2.229 -0.296) 2.556 15.987 ( 0.554 0.257 -0.565) 0.832 16.057 ( -1.601 4.260 1.462) 4.780 16.086 ( 1.215 3.748 1.443) 4.196 16.152 ( 0.617 -3.303 0.459) 3.392 16.189 ( -1.236 -4.382 0.840) 4.630 16.297 ( 0.366 1.906 -1.462) 2.430 16.371 ( 1.207 -4.787 -4.286) 6.538 16.657 ( 1.267 5.588 -2.367) 6.199 16.767 ( 2.699 -3.951 -4.764) 6.752 17.966 ( 1.233 0.724 -0.157) 1.439 17.976 ( 0.763 -0.137 -0.400) 0.872 18.024 ( -1.513 1.063 -0.927) 2.068 18.032 ( -1.154 0.357 -1.169) 1.681 ======================= Grid point 100 (37/45) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 0.000 0.000 -6.492) 6.492 0.934 ( 0.000 0.000 6.492) 6.492 1.163 ( 0.000 0.000 -5.007) 5.007 1.163 ( 0.000 0.000 5.007) 5.007 1.178 ( 0.000 0.000 -5.570) 5.570 1.178 ( 0.000 0.000 5.570) 5.570 1.718 ( 0.000 0.000 -14.975) 14.975 1.718 ( 0.000 0.000 14.975) 14.975 1.784 ( 0.000 0.000 -8.519) 8.519 1.784 ( 0.000 0.000 8.519) 8.519 1.826 ( 0.000 0.000 -9.583) 9.583 1.826 ( 0.000 0.000 9.584) 9.584 1.907 ( 0.000 0.000 -4.525) 4.525 1.907 ( 0.000 0.000 4.525) 4.525 2.199 ( 0.000 0.000 -4.840) 4.840 2.199 ( 0.000 0.000 4.840) 4.840 2.354 ( 0.000 0.000 -1.726) 1.726 2.354 ( 0.000 0.000 1.726) 1.726 2.554 ( 0.000 0.000 -14.670) 14.670 2.554 ( 0.000 0.000 14.670) 14.670 2.692 ( 0.000 0.000 -2.608) 2.608 2.692 ( 0.000 0.000 2.608) 2.608 2.881 ( 0.000 0.000 -3.403) 3.403 2.881 ( 0.000 0.000 3.403) 3.403 2.987 ( 0.000 0.000 -1.573) 1.573 2.987 ( 0.000 0.000 1.573) 1.573 3.323 ( 0.000 0.000 -2.860) 2.860 3.323 ( 0.000 0.000 2.860) 2.860 3.390 ( 0.000 0.000 -3.915) 3.915 3.390 ( 0.000 0.000 3.915) 3.915 3.492 ( 0.000 0.000 -9.814) 9.814 3.492 ( 0.000 0.000 9.814) 9.814 3.581 ( 0.000 0.000 -2.973) 2.973 3.581 ( 0.000 0.000 2.973) 2.973 3.663 ( 0.000 0.000 -0.446) 0.446 3.663 ( 0.000 0.000 0.446) 0.446 3.943 ( 0.000 0.000 -1.208) 1.208 3.943 ( 0.000 0.000 1.208) 1.208 3.992 ( 0.000 0.000 -1.944) 1.944 3.992 ( 0.000 0.000 1.944) 1.944 4.103 ( 0.000 0.000 -4.922) 4.922 4.103 ( 0.000 0.000 4.922) 4.922 4.508 ( 0.000 0.000 -3.783) 3.783 4.508 ( 0.000 0.000 3.783) 3.783 4.634 ( 0.000 0.000 -5.687) 5.687 4.634 ( 0.000 0.000 5.687) 5.687 4.948 ( 0.000 0.000 -3.279) 3.279 4.948 ( 0.000 0.000 3.279) 3.279 5.117 ( 0.000 0.000 -3.842) 3.842 5.117 ( 0.000 0.000 3.842) 3.842 5.223 ( 0.000 0.000 -3.543) 3.543 5.223 ( 0.000 0.000 3.543) 3.543 5.292 ( 0.000 0.000 -2.925) 2.925 5.292 ( 0.000 0.000 2.925) 2.925 5.610 ( 0.000 0.000 -3.772) 3.772 5.610 ( 0.000 0.000 3.772) 3.772 5.730 ( 0.000 0.000 -0.868) 0.868 5.730 ( 0.000 0.000 0.868) 0.868 5.930 ( 0.000 0.000 -1.912) 1.912 5.930 ( 0.000 0.000 1.912) 1.912 6.374 ( 0.000 0.000 -9.389) 9.389 6.374 ( 0.000 0.000 9.389) 9.389 6.715 ( 0.000 0.000 -4.090) 4.090 6.715 ( 0.000 0.000 4.090) 4.090 6.764 ( 0.000 0.000 -2.369) 2.369 6.764 ( 0.000 0.000 2.369) 2.369 6.959 ( 0.000 0.000 -2.565) 2.565 6.959 ( 0.000 0.000 2.565) 2.565 7.036 ( 0.000 0.000 -2.154) 2.154 7.036 ( 0.000 0.000 2.154) 2.154 7.295 ( 0.000 0.000 -1.196) 1.196 7.295 ( 0.000 0.000 1.196) 1.196 7.789 ( 0.000 0.000 -10.649) 10.649 7.789 ( 0.000 0.000 10.649) 10.649 7.911 ( 0.000 0.000 -8.508) 8.508 7.911 ( 0.000 0.000 8.508) 8.508 9.540 ( 0.000 0.000 -0.068) 0.068 9.540 ( 0.000 0.000 0.068) 0.068 9.638 ( 0.000 0.000 -2.357) 2.357 9.638 ( 0.000 0.000 2.357) 2.357 10.330 ( 0.000 0.000 -2.002) 2.002 10.330 ( 0.000 0.000 2.002) 2.002 10.411 ( 0.000 0.000 -3.812) 3.812 10.411 ( 0.000 0.000 3.812) 3.812 10.798 ( 0.000 0.000 -3.135) 3.135 10.798 ( 0.000 0.000 3.135) 3.135 10.805 ( 0.000 0.000 -4.894) 4.894 10.805 ( 0.000 0.000 4.894) 4.894 11.936 ( 0.000 0.000 -4.268) 4.268 11.936 ( 0.000 0.000 4.269) 4.269 11.946 ( 0.000 0.000 -4.231) 4.231 11.946 ( 0.000 0.000 4.231) 4.231 12.857 ( 0.000 0.000 -10.543) 10.543 12.857 ( 0.000 0.000 10.543) 10.543 12.903 ( 0.000 0.000 -6.700) 6.700 12.903 ( 0.000 0.000 6.700) 6.700 14.183 ( 0.000 0.000 -3.398) 3.398 14.183 ( 0.000 0.000 3.398) 3.398 14.621 ( 0.000 0.000 -5.302) 5.302 14.621 ( 0.000 0.000 5.302) 5.302 15.298 ( 0.000 0.000 -10.631) 10.631 15.298 ( 0.000 0.000 10.631) 10.631 15.417 ( 0.000 0.000 -9.792) 9.792 15.417 ( 0.000 0.000 9.792) 9.792 15.524 ( 0.000 0.000 -4.345) 4.345 15.524 ( 0.000 0.000 4.345) 4.345 15.854 ( 0.000 0.000 -4.304) 4.304 15.854 ( 0.000 0.000 4.304) 4.304 16.094 ( 0.000 0.000 -2.940) 2.940 16.094 ( 0.000 0.000 2.940) 2.940 16.238 ( 0.000 0.000 -0.744) 0.744 16.238 ( 0.000 0.000 0.744) 0.744 16.275 ( 0.000 0.000 -1.704) 1.704 16.275 ( 0.000 0.000 1.704) 1.704 16.535 ( 0.000 0.000 -8.214) 8.214 16.535 ( 0.000 0.000 8.214) 8.214 17.940 ( 0.000 0.000 -3.387) 3.387 17.940 ( 0.000 0.000 3.387) 3.387 18.002 ( 0.000 0.000 -2.595) 2.595 18.002 ( 0.000 0.000 2.595) 2.595 ======================= Grid point 102 (38/45) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 0.757 0.000 -6.625) 6.668 0.942 ( 0.757 0.000 6.625) 6.668 1.058 ( -3.318 0.000 -0.003) 3.318 1.058 ( -3.318 0.000 0.003) 3.318 1.324 ( 3.851 0.000 -2.903) 4.822 1.324 ( 3.851 0.000 2.903) 4.822 1.532 ( -6.959 0.000 -7.810) 10.461 1.532 ( -6.959 0.000 7.810) 10.461 1.615 ( -7.707 0.000 -7.004) 10.414 1.615 ( -7.707 0.000 7.004) 10.414 1.971 ( 3.357 0.000 -8.906) 9.518 1.971 ( 3.357 0.000 8.906) 9.518 2.021 ( -2.398 0.000 -1.389) 2.771 2.021 ( -2.398 0.000 1.389) 2.771 2.168 ( 5.685 0.000 -6.319) 8.500 2.168 ( 5.685 0.000 6.319) 8.500 2.313 ( -11.699 0.000 -10.137) 15.479 2.313 ( -11.699 0.000 10.137) 15.479 2.489 ( 2.723 0.000 -5.287) 5.947 2.489 ( 2.723 0.000 5.287) 5.947 2.704 ( -0.572 0.000 -1.770) 1.861 2.704 ( -0.572 0.000 1.770) 1.861 2.804 ( -4.260 0.000 -0.097) 4.261 2.804 ( -4.260 0.000 0.097) 4.261 2.988 ( -0.196 0.000 -0.254) 0.321 2.988 ( -0.196 0.000 0.254) 0.321 3.307 ( 0.138 0.000 -2.826) 2.829 3.307 ( 0.138 0.000 2.826) 2.829 3.406 ( 0.265 0.000 -3.670) 3.680 3.406 ( 0.265 0.000 3.670) 3.680 3.533 ( 1.182 0.000 -5.279) 5.410 3.533 ( 1.182 0.000 5.279) 5.410 3.586 ( 0.839 0.000 -0.289) 0.887 3.586 ( 0.839 0.000 0.289) 0.887 3.673 ( 0.076 0.000 -4.482) 4.483 3.673 ( 0.076 0.000 4.482) 4.483 3.933 ( 1.877 0.000 -0.022) 1.877 3.933 ( 1.877 0.000 0.022) 1.877 4.035 ( 1.360 0.000 -1.932) 2.363 4.035 ( 1.360 0.000 1.932) 2.363 4.158 ( 5.095 0.000 -3.031) 5.928 4.158 ( 5.095 0.000 3.031) 5.928 4.509 ( 0.150 0.000 -5.318) 5.320 4.509 ( 0.150 0.000 5.318) 5.320 4.596 ( -3.893 0.000 -1.604) 4.211 4.596 ( -3.893 0.000 1.604) 4.211 4.976 ( 1.219 0.000 -0.064) 1.221 4.976 ( 1.219 0.000 0.064) 1.221 5.104 ( 2.389 0.000 -2.509) 3.465 5.104 ( 2.389 0.000 2.509) 3.465 5.277 ( 3.455 0.000 -0.815) 3.550 5.277 ( 3.455 0.000 0.815) 3.550 5.316 ( 2.695 0.000 -2.004) 3.358 5.316 ( 2.695 0.000 2.004) 3.358 5.507 ( -7.182 0.000 -3.099) 7.822 5.507 ( -7.182 0.000 3.099) 7.822 5.799 ( 4.066 0.000 -0.785) 4.141 5.799 ( 4.066 0.000 0.785) 4.141 5.974 ( 3.516 0.000 -2.722) 4.447 5.974 ( 3.516 0.000 2.722) 4.447 6.416 ( 3.967 0.000 -7.948) 8.883 6.416 ( 3.967 0.000 7.948) 8.884 6.650 ( -6.860 0.000 -0.991) 6.931 6.650 ( -6.860 0.000 0.991) 6.931 6.740 ( -1.210 0.000 -0.953) 1.540 6.740 ( -1.210 0.000 0.953) 1.540 6.913 ( -3.182 0.000 -0.382) 3.205 6.913 ( -3.182 0.000 0.382) 3.205 7.090 ( 3.925 0.000 -0.010) 3.925 7.090 ( 3.925 0.000 0.010) 3.925 7.286 ( -0.755 0.000 -0.612) 0.972 7.286 ( -0.755 0.000 0.612) 0.972 7.736 ( -4.343 0.000 -6.805) 8.073 7.736 ( -4.343 0.000 6.805) 8.073 7.878 ( -3.578 0.000 -7.625) 8.423 7.878 ( -3.578 0.000 7.625) 8.423 9.554 ( 1.226 0.000 -0.213) 1.245 9.554 ( 1.226 0.000 0.213) 1.245 9.637 ( -0.118 0.000 -1.826) 1.829 9.637 ( -0.118 0.000 1.826) 1.829 10.347 ( 1.727 0.000 -1.344) 2.189 10.347 ( 1.727 0.000 1.344) 2.189 10.413 ( 0.375 0.000 -3.137) 3.159 10.413 ( 0.375 0.000 3.137) 3.159 10.769 ( -2.418 0.000 -3.255) 4.055 10.769 ( -2.418 0.000 3.255) 4.055 10.788 ( -1.798 0.000 -3.589) 4.014 10.788 ( -1.798 0.000 3.589) 4.014 12.011 ( 5.900 0.000 -2.683) 6.481 12.011 ( 5.900 0.000 2.683) 6.481 12.046 ( 9.415 0.000 -4.317) 10.358 12.046 ( 9.415 0.000 4.317) 10.358 12.835 ( -1.439 0.000 -8.455) 8.577 12.835 ( -1.439 0.000 8.455) 8.577 12.962 ( 5.322 0.000 -7.898) 9.524 12.962 ( 5.322 0.000 7.898) 9.524 14.177 ( -0.656 0.000 -2.875) 2.949 14.177 ( -0.656 0.000 2.875) 2.949 14.470 ( -13.542 0.000 -0.352) 13.547 14.470 ( -13.542 0.000 0.352) 13.547 15.290 ( -1.127 0.000 -7.325) 7.411 15.290 ( -1.127 0.000 7.325) 7.411 15.352 ( -5.224 0.000 -7.680) 9.289 15.352 ( -5.224 0.000 7.680) 9.289 15.545 ( 1.444 0.000 -2.664) 3.030 15.545 ( 1.444 0.000 2.664) 3.030 15.879 ( 1.896 0.000 -3.974) 4.403 15.879 ( 1.896 0.000 3.974) 4.403 16.051 ( -2.316 0.000 -1.323) 2.667 16.051 ( -2.316 0.000 1.323) 2.667 16.232 ( -0.307 0.000 -0.390) 0.496 16.232 ( -0.307 0.000 0.390) 0.496 16.363 ( 5.640 0.000 -0.947) 5.719 16.363 ( 5.640 0.000 0.947) 5.719 16.566 ( 3.259 0.000 -6.331) 7.120 16.566 ( 3.259 0.000 6.331) 7.120 17.943 ( 0.283 0.000 -2.873) 2.887 17.943 ( 0.283 0.000 2.873) 2.887 17.994 ( -0.760 0.000 -1.982) 2.122 17.994 ( -0.760 0.000 1.982) 2.122 ======================= Grid point 104 (39/45) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -0.311 0.000 -3.469) 3.483 0.948 ( -0.311 0.000 3.469) 3.483 1.015 ( -1.770 0.000 -0.669) 1.892 1.015 ( -1.770 0.000 0.669) 1.892 1.296 ( -1.419 0.000 -4.895) 5.097 1.296 ( -1.419 0.000 4.895) 5.097 1.461 ( -0.341 0.000 -1.099) 1.151 1.461 ( -0.341 0.000 1.099) 1.151 1.663 ( 5.574 0.000 -0.534) 5.599 1.663 ( 5.574 0.000 0.534) 5.599 1.861 ( -5.987 0.000 -1.370) 6.142 1.861 ( -5.987 0.000 1.370) 6.142 1.892 ( -8.882 0.000 -1.159) 8.958 1.892 ( -8.882 0.000 1.159) 8.958 2.166 ( -4.512 0.000 -3.490) 5.704 2.166 ( -4.512 0.000 3.490) 5.704 2.287 ( 3.929 0.000 -2.382) 4.595 2.287 ( 3.929 0.000 2.382) 4.595 2.551 ( 2.480 0.000 -4.943) 5.530 2.551 ( 2.480 0.000 4.943) 5.530 2.674 ( 0.293 0.000 -0.002) 0.293 2.674 ( 0.293 0.000 0.002) 0.293 2.821 ( 2.482 0.000 -0.248) 2.494 2.821 ( 2.482 0.000 0.248) 2.494 2.947 ( -3.332 0.000 -0.121) 3.334 2.947 ( -3.332 0.000 0.121) 3.334 3.353 ( 3.715 0.000 -1.790) 4.123 3.353 ( 3.715 0.000 1.790) 4.123 3.402 ( -0.737 0.000 -4.374) 4.435 3.402 ( -0.737 0.000 4.374) 4.435 3.506 ( -2.428 0.000 -0.010) 2.428 3.506 ( -2.428 0.000 0.010) 2.428 3.603 ( 1.292 0.000 -0.350) 1.339 3.603 ( 1.292 0.000 0.350) 1.339 3.661 ( -1.339 0.000 -2.287) 2.650 3.661 ( -1.339 0.000 2.287) 2.650 3.982 ( 1.785 0.000 -0.620) 1.890 3.982 ( 1.785 0.000 0.620) 1.890 4.024 ( -1.486 0.000 -0.066) 1.487 4.024 ( -1.486 0.000 0.066) 1.487 4.275 ( 5.721 0.000 -1.086) 5.824 4.275 ( 5.721 0.000 1.086) 5.824 4.480 ( -3.564 0.000 -2.523) 4.367 4.480 ( -3.564 0.000 2.523) 4.367 4.536 ( -0.896 0.000 -0.039) 0.897 4.536 ( -0.896 0.000 0.039) 0.897 4.993 ( 0.790 0.000 -0.049) 0.791 4.993 ( 0.790 0.000 0.049) 0.791 5.156 ( 1.249 0.000 -1.215) 1.742 5.156 ( 1.249 0.000 1.215) 1.742 5.351 ( 1.159 0.000 -7.184) 7.277 5.351 ( 1.159 0.000 7.184) 7.277 5.377 ( 3.766 0.000 -0.971) 3.889 5.377 ( 3.766 0.000 0.971) 3.889 5.404 ( -1.730 0.000 -9.965) 10.114 5.404 ( -1.730 0.000 9.965) 10.114 5.854 ( 1.632 0.000 -0.101) 1.636 5.854 ( 1.632 0.000 0.101) 1.636 6.015 ( 0.295 0.000 -2.670) 2.686 6.015 ( 0.295 0.000 2.670) 2.686 6.469 ( -0.721 0.000 -0.931) 1.178 6.469 ( -0.721 0.000 0.931) 1.178 6.542 ( -1.193 0.000 -5.035) 5.174 6.542 ( -1.193 0.000 5.035) 5.174 6.730 ( 0.108 0.000 -1.053) 1.059 6.730 ( 0.108 0.000 1.053) 1.059 6.860 ( -1.985 0.000 -1.402) 2.430 6.860 ( -1.985 0.000 1.402) 2.430 7.155 ( 2.299 0.000 -0.040) 2.299 7.155 ( 2.299 0.000 0.040) 2.299 7.270 ( -0.815 0.000 -0.001) 0.815 7.270 ( -0.815 0.000 0.001) 0.815 7.673 ( -1.472 0.000 -0.676) 1.620 7.673 ( -1.472 0.000 0.676) 1.620 7.796 ( -3.685 0.000 -2.911) 4.696 7.796 ( -3.685 0.000 2.911) 4.696 9.576 ( 0.806 0.000 -0.193) 0.829 9.576 ( 0.806 0.000 0.193) 0.829 9.633 ( -0.220 0.000 -0.731) 0.764 9.633 ( -0.220 0.000 0.731) 0.764 10.382 ( 1.419 0.000 -0.108) 1.423 10.382 ( 1.419 0.000 0.108) 1.423 10.425 ( 0.619 0.000 -1.018) 1.192 10.425 ( 0.619 0.000 1.018) 1.192 10.726 ( -1.495 0.000 -1.371) 2.028 10.726 ( -1.495 0.000 1.371) 2.028 10.753 ( -1.327 0.000 -1.389) 1.921 10.753 ( -1.327 0.000 1.389) 1.921 12.118 ( 3.805 0.000 -0.180) 3.809 12.118 ( 3.805 0.000 0.180) 3.809 12.198 ( 4.789 0.000 -1.552) 5.034 12.198 ( 4.789 0.000 1.552) 5.034 12.813 ( -0.730 0.000 -3.718) 3.789 12.813 ( -0.730 0.000 3.718) 3.789 13.075 ( 4.860 0.000 -4.681) 6.748 13.075 ( 4.860 0.000 4.682) 6.748 14.163 ( -0.561 0.000 -1.292) 1.409 14.163 ( -0.561 0.000 1.292) 1.409 14.226 ( -8.886 0.000 -2.154) 9.144 14.226 ( -8.886 0.000 2.154) 9.144 15.259 ( -1.801 0.000 -3.252) 3.717 15.259 ( -1.801 0.000 3.252) 3.717 15.274 ( -1.898 0.000 -1.844) 2.646 15.274 ( -1.898 0.000 1.844) 2.646 15.566 ( 0.669 0.000 -0.455) 0.809 15.566 ( 0.669 0.000 0.455) 0.809 15.896 ( 0.009 0.000 -1.570) 1.570 15.896 ( 0.009 0.000 1.570) 1.570 16.040 ( 0.564 0.000 -0.080) 0.570 16.040 ( 0.564 0.000 0.080) 0.570 16.221 ( -0.619 0.000 -0.376) 0.724 16.221 ( -0.619 0.000 0.376) 0.724 16.434 ( 1.767 0.000 -0.185) 1.777 16.434 ( 1.767 0.000 0.185) 1.777 16.633 ( 2.524 0.000 -0.838) 2.660 16.633 ( 2.524 0.000 0.838) 2.660 17.951 ( 0.526 0.000 -1.321) 1.422 17.951 ( 0.526 0.000 1.321) 1.422 17.977 ( -0.824 0.000 -0.431) 0.930 17.977 ( -0.824 0.000 0.431) 0.930 ======================= Grid point 110 (40/45) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 0.000 -10.387 -2.560) 10.698 0.795 ( 0.000 -10.387 2.560) 10.698 1.152 ( 0.000 2.193 -0.080) 2.194 1.152 ( 0.000 2.193 0.080) 2.194 1.310 ( 0.000 6.786 -5.901) 8.993 1.310 ( 0.000 6.786 5.901) 8.993 1.696 ( 0.000 -1.250 -6.927) 7.039 1.696 ( 0.000 -1.250 6.927) 7.039 1.812 ( 0.000 0.272 -1.261) 1.290 1.812 ( 0.000 0.272 1.261) 1.290 1.824 ( 0.000 0.414 -1.473) 1.530 1.824 ( 0.000 0.414 1.473) 1.530 1.905 ( 0.000 0.213 -0.326) 0.389 1.905 ( 0.000 0.213 0.326) 0.389 2.099 ( 0.000 -6.609 -3.327) 7.400 2.099 ( 0.000 -6.609 3.327) 7.400 2.374 ( 0.000 0.168 -0.208) 0.268 2.374 ( 0.000 0.168 0.208) 0.268 2.520 ( 0.000 -1.517 -9.269) 9.393 2.520 ( 0.000 -1.517 9.269) 9.393 2.756 ( 0.000 4.387 -0.441) 4.409 2.756 ( 0.000 4.387 0.441) 4.409 2.937 ( 0.000 2.598 -0.025) 2.598 2.937 ( 0.000 2.598 0.025) 2.598 3.006 ( 0.000 3.233 -1.747) 3.675 3.006 ( 0.000 3.233 1.747) 3.675 3.296 ( 0.000 -2.054 -1.419) 2.497 3.296 ( 0.000 -2.054 1.419) 2.497 3.399 ( 0.000 0.345 -3.369) 3.386 3.399 ( 0.000 0.345 3.369) 3.386 3.454 ( 0.000 -2.103 -8.049) 8.319 3.454 ( 0.000 -2.103 8.049) 8.319 3.614 ( 0.000 1.571 -3.785) 4.098 3.614 ( 0.000 1.571 3.785) 4.098 3.659 ( 0.000 -0.336 -1.096) 1.146 3.659 ( 0.000 -0.336 1.096) 1.146 3.880 ( 0.000 -3.517 -0.751) 3.597 3.880 ( 0.000 -3.517 0.751) 3.597 3.983 ( 0.000 -0.943 -0.555) 1.094 3.983 ( 0.000 -0.943 0.555) 1.094 4.190 ( 0.000 5.958 -3.835) 7.086 4.190 ( 0.000 5.958 3.835) 7.086 4.469 ( 0.000 -2.639 -2.273) 3.483 4.469 ( 0.000 -2.639 2.273) 3.483 4.670 ( 0.000 2.310 -2.560) 3.448 4.670 ( 0.000 2.310 2.560) 3.448 4.896 ( 0.000 -4.220 -3.301) 5.358 4.896 ( 0.000 -4.220 3.301) 5.358 5.124 ( 0.000 0.285 -2.378) 2.395 5.124 ( 0.000 0.285 2.378) 2.395 5.229 ( 0.000 0.441 -0.776) 0.893 5.229 ( 0.000 0.441 0.776) 0.893 5.276 ( 0.000 -1.171 -0.041) 1.172 5.276 ( 0.000 -1.171 0.041) 1.172 5.538 ( 0.000 -3.674 -1.700) 4.048 5.538 ( 0.000 -3.674 1.700) 4.048 5.793 ( 0.000 2.410 -0.789) 2.536 5.793 ( 0.000 2.410 0.789) 2.536 5.940 ( 0.000 1.590 -0.834) 1.796 5.940 ( 0.000 1.590 0.834) 1.796 6.415 ( 0.000 3.260 -9.854) 10.379 6.415 ( 0.000 3.260 9.854) 10.379 6.711 ( 0.000 -1.255 -3.401) 3.626 6.711 ( 0.000 -1.255 3.401) 3.626 6.747 ( 0.000 -0.413 -5.561) 5.576 6.747 ( 0.000 -0.413 5.561) 5.576 6.900 ( 0.000 -3.225 -3.117) 4.485 6.900 ( 0.000 -3.225 3.117) 4.485 7.101 ( 0.000 3.735 -2.517) 4.505 7.101 ( 0.000 3.735 2.517) 4.505 7.273 ( 0.000 -1.798 -1.450) 2.310 7.273 ( 0.000 -1.798 1.450) 2.310 7.732 ( 0.000 -3.523 -4.478) 5.698 7.732 ( 0.000 -3.523 4.478) 5.698 7.960 ( 0.000 2.893 -2.890) 4.089 7.960 ( 0.000 2.893 2.890) 4.089 9.553 ( 0.000 1.048 -0.356) 1.107 9.553 ( 0.000 1.048 0.356) 1.107 9.632 ( 0.000 -0.552 -2.252) 2.319 9.632 ( 0.000 -0.552 2.252) 2.319 10.328 ( 0.000 -0.118 -1.421) 1.425 10.328 ( 0.000 -0.118 1.421) 1.425 10.415 ( 0.000 0.294 -2.908) 2.923 10.415 ( 0.000 0.294 2.908) 2.923 10.786 ( 0.000 -0.598 -0.005) 0.598 10.786 ( 0.000 -0.598 0.005) 0.598 10.816 ( 0.000 0.535 -1.398) 1.497 10.816 ( 0.000 0.535 1.398) 1.497 11.934 ( 0.000 -0.186 -2.176) 2.184 11.934 ( 0.000 -0.186 2.176) 2.184 11.949 ( 0.000 0.172 -2.143) 2.150 11.949 ( 0.000 0.172 2.143) 2.150 12.863 ( 0.000 0.556 -10.044) 10.060 12.863 ( 0.000 0.556 10.044) 10.060 12.902 ( 0.000 -0.171 -6.829) 6.831 12.902 ( 0.000 -0.171 6.829) 6.831 14.197 ( 0.000 1.399 -3.145) 3.442 14.197 ( 0.000 1.399 3.145) 3.442 14.534 ( 0.000 -6.952 -2.823) 7.503 14.534 ( 0.000 -6.952 2.823) 7.503 15.309 ( 0.000 0.819 -10.228) 10.261 15.309 ( 0.000 0.819 10.228) 10.261 15.405 ( 0.000 -0.810 -9.683) 9.717 15.405 ( 0.000 -0.810 9.683) 9.717 15.561 ( 0.000 2.464 -2.956) 3.849 15.561 ( 0.000 2.464 2.956) 3.849 15.875 ( 0.000 1.903 -3.142) 3.673 15.875 ( 0.000 1.903 3.142) 3.673 16.043 ( 0.000 -3.234 -1.184) 3.444 16.043 ( 0.000 -3.234 1.184) 3.444 16.231 ( 0.000 -0.553 -0.580) 0.801 16.231 ( 0.000 -0.553 0.580) 0.801 16.332 ( 0.000 3.626 -2.307) 4.298 16.332 ( 0.000 3.626 2.307) 4.298 16.516 ( 0.000 -1.603 -7.337) 7.510 16.516 ( 0.000 -1.603 7.337) 7.510 17.958 ( 0.000 1.409 -3.326) 3.612 17.958 ( 0.000 1.409 3.326) 3.612 18.006 ( 0.000 0.312 -2.635) 2.654 18.006 ( 0.000 0.312 2.635) 2.654 ======================= Grid point 112 (41/45) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 1.752 -9.091 -0.000) 9.258 0.827 ( 4.250 -7.516 0.000) 8.634 1.050 ( -3.522 2.826 0.000) 4.516 1.210 ( -5.610 3.220 0.000) 6.468 1.319 ( 4.673 4.053 0.000) 6.186 1.379 ( 2.344 3.073 0.000) 3.865 1.528 ( -8.100 0.342 0.000) 8.107 1.562 ( -9.638 2.030 -0.000) 9.850 1.607 ( -4.609 0.155 -0.000) 4.611 1.627 ( -7.916 0.087 0.000) 7.917 1.891 ( -5.618 -6.245 0.000) 8.400 1.899 ( 0.326 -5.863 -0.000) 5.872 2.011 ( 6.377 0.690 0.000) 6.414 2.071 ( 6.535 2.361 0.000) 6.948 2.156 ( 11.330 0.411 0.000) 11.338 2.220 ( -2.899 2.163 0.000) 3.617 2.256 ( -13.144 -2.287 -0.000) 13.341 2.334 ( -4.670 -0.559 0.000) 4.704 2.398 ( 2.019 -3.668 0.000) 4.187 2.508 ( -4.376 -2.579 0.000) 5.079 2.734 ( -9.000 2.161 0.000) 9.256 2.742 ( 1.615 3.939 0.000) 4.257 2.797 ( 4.353 4.172 0.000) 6.030 2.894 ( -4.469 0.104 0.000) 4.471 3.014 ( -2.082 5.847 0.000) 6.206 3.044 ( 0.914 2.712 0.000) 2.862 3.284 ( 1.378 -2.187 0.000) 2.585 3.285 ( -1.814 -1.439 -0.000) 2.316 3.400 ( -1.750 -0.350 0.000) 1.785 3.401 ( 0.180 -0.478 -0.000) 0.511 3.462 ( -0.216 -2.923 0.000) 2.931 3.520 ( 2.204 -2.778 0.000) 3.546 3.592 ( -1.403 1.233 0.000) 1.868 3.607 ( 1.890 0.666 -0.000) 2.004 3.670 ( 0.217 0.229 0.000) 0.316 3.691 ( 1.291 0.255 0.000) 1.316 3.862 ( 4.131 -2.889 0.000) 5.041 3.927 ( -0.051 -3.168 0.000) 3.168 4.045 ( 6.061 2.175 0.000) 6.439 4.089 ( 4.961 1.924 0.000) 5.322 4.156 ( 0.237 2.476 0.000) 2.488 4.217 ( 2.093 3.501 0.000) 4.079 4.458 ( -2.125 -2.889 -0.000) 3.586 4.461 ( -0.303 -3.510 0.000) 3.523 4.607 ( -3.179 2.526 0.000) 4.061 4.716 ( -0.001 6.402 0.000) 6.402 4.869 ( -0.081 -6.366 0.000) 6.366 5.024 ( 0.081 -2.549 0.000) 2.550 5.031 ( 6.086 1.269 0.000) 6.217 5.101 ( 0.212 -2.806 0.000) 2.814 5.218 ( 0.015 -4.970 0.000) 4.970 5.271 ( 0.717 -1.966 0.000) 2.093 5.323 ( 5.796 3.950 0.000) 7.014 5.373 ( 5.277 2.114 0.000) 5.685 5.458 ( -2.959 -0.090 0.000) 2.961 5.577 ( -3.236 -0.232 0.000) 3.244 5.718 ( -1.256 -0.052 0.000) 1.257 5.842 ( 2.643 -0.960 0.000) 2.812 5.954 ( 2.232 -0.589 0.000) 2.308 6.012 ( 3.485 2.091 0.000) 4.064 6.447 ( 2.965 3.178 0.000) 4.346 6.461 ( 3.603 2.646 -0.000) 4.470 6.606 ( -7.732 -2.606 -0.000) 8.159 6.657 ( -6.207 0.004 -0.000) 6.207 6.729 ( 0.001 -0.462 0.000) 0.462 6.775 ( 0.936 2.152 0.000) 2.346 6.840 ( -2.481 -2.733 0.000) 3.691 6.967 ( 2.442 -1.122 0.000) 2.688 7.031 ( -2.470 1.041 0.000) 2.680 7.179 ( 4.108 3.766 0.000) 5.573 7.243 ( -1.842 -2.896 0.000) 3.432 7.289 ( 0.437 -0.480 0.000) 0.649 7.662 ( -4.853 -3.221 0.000) 5.824 7.712 ( -3.212 -4.027 -0.000) 5.151 7.886 ( -5.324 3.056 0.000) 6.138 7.948 ( -2.914 2.539 0.000) 3.865 9.559 ( 0.803 0.758 0.000) 1.104 9.570 ( 1.357 1.071 0.000) 1.729 9.632 ( -0.065 -0.501 -0.000) 0.505 9.633 ( 0.090 -0.370 0.000) 0.381 10.329 ( 0.869 -0.528 0.000) 1.016 10.356 ( 1.970 -0.374 0.000) 2.005 10.408 ( 0.195 0.570 -0.000) 0.603 10.430 ( 1.073 0.617 0.000) 1.238 10.755 ( -2.444 -0.487 -0.000) 2.492 10.768 ( -1.918 -0.685 0.000) 2.037 10.788 ( -2.249 0.654 0.000) 2.343 10.801 ( -1.765 0.442 0.000) 1.819 11.987 ( 4.830 -0.924 0.000) 4.918 12.008 ( 7.150 -1.348 0.000) 7.276 12.043 ( 7.801 1.103 0.000) 7.879 12.070 ( 10.583 0.788 0.000) 10.612 12.833 ( -1.655 0.302 -0.000) 1.683 12.855 ( -0.755 1.256 0.000) 1.466 12.926 ( 2.999 -1.651 -0.000) 3.423 12.977 ( 5.765 -0.143 0.000) 5.767 14.179 ( -1.363 0.681 0.000) 1.524 14.194 ( -0.772 1.222 -0.000) 1.445 14.399 ( -10.903 -4.709 0.000) 11.877 14.433 ( -10.810 -4.246 0.000) 11.614 15.267 ( -2.572 -0.954 0.000) 2.743 15.279 ( -3.174 -0.741 0.000) 3.260 15.330 ( -5.239 -0.820 0.000) 5.303 15.360 ( -4.994 -1.350 -0.000) 5.174 15.513 ( -1.547 2.648 0.000) 3.067 15.652 ( 5.296 3.134 0.000) 6.154 15.895 ( 1.365 2.082 -0.000) 2.490 15.903 ( 2.489 1.426 0.000) 2.869 16.014 ( 1.448 -0.490 0.000) 1.529 16.110 ( -4.647 2.029 0.000) 5.071 16.220 ( -0.742 -0.879 0.000) 1.150 16.239 ( -0.499 0.927 0.000) 1.053 16.261 ( 7.327 -5.533 0.000) 9.181 16.386 ( -0.772 -0.511 0.000) 0.926 16.542 ( 1.430 0.116 0.000) 1.434 16.610 ( 8.077 1.038 0.000) 8.144 17.955 ( -0.060 1.044 0.000) 1.046 17.963 ( 0.186 1.358 -0.000) 1.371 17.994 ( -0.785 0.349 -0.000) 0.859 18.007 ( -0.299 0.692 0.000) 0.754 ======================= Grid point 114 (42/45) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 0.004 -4.724 0.000) 4.724 0.939 ( 6.258 -3.039 0.000) 6.957 0.995 ( -1.330 -0.312 0.000) 1.366 1.072 ( -7.294 1.120 0.000) 7.379 1.336 ( -0.698 3.851 0.000) 3.914 1.346 ( -2.488 4.233 -0.000) 4.910 1.394 ( -2.535 -1.810 0.000) 3.115 1.546 ( 5.607 0.921 0.000) 5.683 1.563 ( 0.188 -1.109 0.000) 1.125 1.733 ( 9.931 0.038 -0.000) 9.931 1.762 ( -11.774 -6.048 0.000) 13.236 1.801 ( -2.688 -1.196 -0.000) 2.942 1.947 ( -6.438 3.685 0.000) 7.418 1.962 ( -8.709 0.780 0.000) 8.743 2.056 ( -11.577 -2.507 0.000) 11.845 2.196 ( -1.088 -3.041 0.000) 3.230 2.292 ( 3.627 1.146 0.000) 3.804 2.307 ( 4.510 1.555 0.000) 4.770 2.494 ( 2.555 -4.316 -0.000) 5.015 2.513 ( 2.712 -2.721 0.000) 3.842 2.676 ( 1.378 1.903 0.000) 2.349 2.774 ( 0.338 7.386 0.000) 7.394 2.871 ( 3.216 0.930 0.000) 3.348 2.891 ( 4.648 4.791 -0.000) 6.675 2.945 ( -4.233 2.290 0.000) 4.813 2.995 ( -5.817 3.436 0.000) 6.756 3.296 ( 3.028 -4.310 0.000) 5.267 3.324 ( 0.449 -5.099 0.000) 5.119 3.372 ( 0.446 -0.380 0.000) 0.586 3.384 ( -2.091 -1.334 0.000) 2.481 3.436 ( -1.398 -1.912 0.000) 2.369 3.507 ( -1.459 -3.282 0.000) 3.592 3.585 ( 0.663 0.617 0.000) 0.906 3.645 ( -1.902 1.124 0.000) 2.210 3.655 ( 2.103 2.167 0.000) 3.019 3.704 ( 0.090 0.262 0.000) 0.277 3.909 ( -1.394 -3.678 0.000) 3.933 4.001 ( 6.318 0.433 0.000) 6.333 4.017 ( -2.870 3.143 -0.000) 4.256 4.135 ( 0.643 4.622 0.000) 4.667 4.264 ( 3.259 -0.009 0.000) 3.259 4.280 ( 5.705 -0.110 -0.000) 5.707 4.381 ( -5.663 -4.872 0.000) 7.470 4.436 ( -1.714 -3.191 0.000) 3.623 4.574 ( -0.350 3.569 0.000) 3.586 4.683 ( -1.657 7.740 0.000) 7.915 4.862 ( -0.318 -6.889 0.000) 6.896 5.046 ( 0.641 0.537 0.000) 0.837 5.102 ( 4.378 -1.396 0.000) 4.595 5.185 ( 0.904 -0.497 0.000) 1.032 5.277 ( 6.081 -5.317 0.000) 8.078 5.290 ( 0.268 -2.641 0.000) 2.655 5.421 ( 3.241 4.132 0.000) 5.251 5.428 ( 0.753 1.890 0.000) 2.034 5.448 ( 1.887 2.728 0.000) 3.317 5.462 ( -5.448 3.553 0.000) 6.504 5.724 ( 0.317 -4.403 0.000) 4.414 5.912 ( 4.721 -2.042 0.000) 5.144 5.988 ( 0.862 -1.678 0.000) 1.887 6.012 ( -3.924 0.244 0.000) 3.932 6.472 ( -1.906 0.710 0.000) 2.034 6.491 ( -1.355 0.922 0.000) 1.639 6.506 ( -0.288 -0.544 0.000) 0.616 6.555 ( -2.217 -0.797 -0.000) 2.356 6.765 ( 3.211 3.843 0.000) 5.008 6.786 ( 0.294 3.425 0.000) 3.437 6.815 ( -0.205 -0.690 0.000) 0.720 6.933 ( -3.235 3.198 0.000) 4.549 7.061 ( 2.569 -4.227 0.000) 4.946 7.211 ( -0.887 -3.559 0.000) 3.668 7.246 ( 2.023 3.617 0.000) 4.145 7.284 ( -0.885 0.221 0.000) 0.912 7.587 ( -2.201 -3.553 0.000) 4.180 7.651 ( -2.093 -5.839 0.000) 6.203 7.788 ( -3.735 4.027 0.000) 5.493 7.882 ( -2.726 2.653 0.000) 3.804 9.574 ( 0.542 0.398 0.000) 0.672 9.595 ( 0.930 1.013 0.000) 1.375 9.628 ( -0.302 -0.414 0.000) 0.512 9.634 ( -0.004 -0.065 0.000) 0.066 10.352 ( 1.012 -0.978 0.000) 1.408 10.387 ( 0.952 -1.503 0.000) 1.779 10.425 ( 1.068 1.641 0.000) 1.958 10.452 ( 0.958 0.960 0.000) 1.357 10.712 ( -1.501 -0.432 0.000) 1.562 10.734 ( -1.193 -0.767 0.000) 1.418 10.746 ( -1.583 0.793 0.000) 1.770 10.766 ( -1.314 0.426 0.000) 1.381 12.075 ( 3.151 -1.466 0.000) 3.475 12.132 ( 4.276 -2.682 0.000) 5.048 12.174 ( 4.245 2.317 0.000) 4.836 12.244 ( 5.582 1.355 0.000) 5.744 12.807 ( -0.850 0.398 -0.000) 0.938 12.848 ( -0.084 2.371 0.000) 2.373 12.988 ( 2.629 -4.506 0.000) 5.217 13.093 ( 4.809 -1.402 0.000) 5.010 14.155 ( -0.809 -0.120 0.000) 0.818 14.175 ( -0.804 0.587 0.000) 0.995 14.209 ( -6.664 -1.062 0.000) 6.748 14.224 ( -7.975 -0.579 -0.000) 7.996 15.223 ( -1.766 -1.774 0.000) 2.503 15.234 ( -0.703 -1.818 0.000) 1.949 15.250 ( -2.598 -1.123 0.000) 2.830 15.272 ( -3.148 -2.500 -0.000) 4.020 15.493 ( -0.600 2.562 0.000) 2.632 15.755 ( 5.556 4.740 0.000) 7.303 15.867 ( -4.695 1.755 -0.000) 5.013 15.944 ( 1.247 2.051 0.000) 2.401 16.050 ( 1.560 1.382 -0.000) 2.085 16.051 ( -0.218 0.660 0.000) 0.695 16.206 ( -0.647 -1.380 0.000) 1.524 16.214 ( -1.103 -0.519 -0.000) 1.218 16.368 ( -0.552 -2.948 0.000) 2.999 16.425 ( 6.621 -6.516 0.000) 9.290 16.544 ( -1.322 2.371 0.000) 2.715 16.732 ( 3.650 1.782 0.000) 4.062 17.956 ( 0.143 0.579 0.000) 0.597 17.965 ( -0.017 0.309 -0.000) 0.310 17.982 ( -0.350 1.380 0.000) 1.423 17.999 ( -0.378 1.173 0.000) 1.232 ======================= Grid point 120 (43/45) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 0.000 -6.504 -0.643) 6.536 0.586 ( 0.000 -6.504 0.643) 6.536 1.197 ( 0.000 1.191 -0.592) 1.330 1.197 ( 0.000 1.191 0.592) 1.330 1.460 ( 0.000 6.152 -5.056) 7.963 1.460 ( 0.000 6.152 5.056) 7.963 1.673 ( 0.000 -0.995 -0.820) 1.289 1.673 ( 0.000 -0.995 0.820) 1.289 1.747 ( 0.000 -4.127 -6.392) 7.608 1.747 ( 0.000 -4.127 6.392) 7.608 1.849 ( 0.000 0.662 -0.000) 0.662 1.849 ( 0.000 0.662 0.000) 0.662 1.928 ( 0.000 1.765 -6.568) 6.801 1.928 ( 0.000 1.765 6.568) 6.801 1.982 ( 0.000 -3.502 -0.182) 3.506 1.982 ( 0.000 -3.502 0.182) 3.506 2.360 ( 0.000 -0.706 -0.728) 1.014 2.360 ( 0.000 -0.706 0.728) 1.014 2.506 ( 0.000 -0.102 -2.533) 2.535 2.506 ( 0.000 -0.102 2.533) 2.535 2.834 ( 0.000 2.078 -0.286) 2.097 2.834 ( 0.000 2.078 0.286) 2.097 2.955 ( 0.000 0.214 -1.644) 1.657 2.955 ( 0.000 0.214 1.644) 1.657 3.115 ( 0.000 4.310 -2.645) 5.057 3.115 ( 0.000 4.310 2.645) 5.057 3.248 ( 0.000 -1.951 -0.011) 1.951 3.248 ( 0.000 -1.951 0.011) 1.951 3.394 ( 0.000 -0.479 -0.466) 0.668 3.394 ( 0.000 -0.479 0.466) 0.668 3.430 ( 0.000 -0.257 -2.379) 2.393 3.430 ( 0.000 -0.257 2.379) 2.393 3.625 ( 0.000 -0.310 -1.124) 1.165 3.625 ( 0.000 -0.310 1.124) 1.165 3.648 ( 0.000 -0.457 -0.464) 0.652 3.648 ( 0.000 -0.457 0.465) 0.652 3.835 ( 0.000 -0.601 -0.093) 0.608 3.835 ( 0.000 -0.601 0.093) 0.608 3.961 ( 0.000 -0.767 -0.147) 0.781 3.961 ( 0.000 -0.767 0.147) 0.781 4.315 ( 0.000 4.637 -3.620) 5.882 4.315 ( 0.000 4.637 3.620) 5.882 4.415 ( 0.000 -2.173 -2.821) 3.561 4.415 ( 0.000 -2.173 2.821) 3.561 4.701 ( 0.000 0.175 -0.010) 0.175 4.701 ( 0.000 0.175 0.010) 0.175 4.808 ( 0.000 -2.505 -2.003) 3.207 4.808 ( 0.000 -2.505 2.003) 3.207 5.123 ( 0.000 -0.205 -1.134) 1.153 5.123 ( 0.000 -0.205 1.134) 1.153 5.235 ( 0.000 0.097 -0.101) 0.140 5.235 ( 0.000 0.097 0.101) 0.140 5.259 ( 0.000 -0.252 -1.769) 1.787 5.259 ( 0.000 -0.252 1.769) 1.787 5.486 ( 0.000 -1.164 -0.927) 1.489 5.486 ( 0.000 -1.164 0.927) 1.489 5.808 ( 0.000 -0.115 -0.741) 0.750 5.808 ( 0.000 -0.115 0.741) 0.750 5.988 ( 0.000 1.720 -0.034) 1.721 5.988 ( 0.000 1.720 0.034) 1.721 6.487 ( 0.000 2.601 -7.112) 7.572 6.487 ( 0.000 2.601 7.112) 7.572 6.654 ( 0.000 -2.610 -4.501) 5.202 6.654 ( 0.000 -2.610 4.501) 5.202 6.770 ( 0.000 1.611 -4.819) 5.081 6.770 ( 0.000 1.611 4.819) 5.081 6.842 ( 0.000 -2.010 -3.755) 4.259 6.842 ( 0.000 -2.010 3.755) 4.259 7.172 ( 0.000 2.707 -2.824) 3.911 7.172 ( 0.000 2.707 2.824) 3.911 7.226 ( 0.000 -2.289 -2.211) 3.182 7.226 ( 0.000 -2.289 2.211) 3.182 7.672 ( 0.000 -1.545 -1.024) 1.853 7.672 ( 0.000 -1.545 1.024) 1.853 8.006 ( 0.000 1.129 -0.507) 1.238 8.006 ( 0.000 1.129 0.507) 1.238 9.579 ( 0.000 1.065 -0.902) 1.396 9.579 ( 0.000 1.065 0.902) 1.396 9.616 ( 0.000 -0.765 -1.579) 1.755 9.616 ( 0.000 -0.765 1.579) 1.755 10.326 ( 0.000 -0.064 -0.442) 0.446 10.326 ( 0.000 -0.064 0.442) 0.446 10.420 ( 0.000 0.171 -1.025) 1.039 10.420 ( 0.000 0.171 1.025) 1.039 10.776 ( 0.000 -0.241 -0.124) 0.271 10.776 ( 0.000 -0.241 0.124) 0.271 10.824 ( 0.000 0.201 -0.416) 0.462 10.824 ( 0.000 0.201 0.416) 0.462 11.930 ( 0.000 -0.092 -0.546) 0.554 11.930 ( 0.000 -0.092 0.546) 0.554 11.952 ( 0.000 0.085 -0.532) 0.539 11.952 ( 0.000 0.085 0.532) 0.539 12.878 ( 0.000 0.768 -8.573) 8.607 12.878 ( 0.000 0.768 8.573) 8.607 12.894 ( 0.000 -0.530 -7.278) 7.297 12.894 ( 0.000 -0.530 7.278) 7.297 14.253 ( 0.000 3.902 -2.376) 4.568 14.253 ( 0.000 3.902 2.376) 4.568 14.372 ( 0.000 -6.935 -0.504) 6.953 14.372 ( 0.000 -6.935 0.504) 6.953 15.327 ( 0.000 0.630 -5.924) 5.957 15.327 ( 0.000 0.630 5.924) 5.957 15.389 ( 0.000 -0.557 -5.765) 5.792 15.389 ( 0.000 -0.557 5.765) 5.792 15.601 ( 0.000 0.984 -1.052) 1.440 15.601 ( 0.000 0.984 1.052) 1.440 15.921 ( 0.000 1.619 -1.087) 1.950 15.921 ( 0.000 1.619 1.087) 1.950 15.990 ( 0.000 -1.378 -0.448) 1.449 15.990 ( 0.000 -1.378 0.448) 1.449 16.216 ( 0.000 -0.574 -0.317) 0.656 16.216 ( 0.000 -0.574 0.317) 0.656 16.396 ( 0.000 1.882 -2.552) 3.171 16.396 ( 0.000 1.882 2.552) 3.171 16.479 ( 0.000 -1.346 -4.205) 4.415 16.479 ( 0.000 -1.346 4.205) 4.415 17.986 ( 0.000 0.794 -1.978) 2.131 17.986 ( 0.000 0.794 1.978) 2.131 18.013 ( 0.000 0.236 -1.683) 1.699 18.013 ( 0.000 0.236 1.683) 1.699 ======================= Grid point 122 (44/45) ======================= q-point: ( 0.20 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 6.915 -4.214 -0.000) 8.098 0.669 ( 8.255 -5.323 0.000) 9.822 1.118 ( -5.819 3.170 0.000) 6.627 1.186 ( -5.531 -2.894 0.000) 6.242 1.467 ( 0.356 4.683 0.000) 4.696 1.480 ( 1.438 6.483 -0.000) 6.640 1.552 ( -10.086 2.191 0.000) 10.321 1.586 ( -12.045 -0.569 0.000) 12.058 1.611 ( -4.247 0.295 0.000) 4.257 1.639 ( -4.593 1.650 0.000) 4.881 1.742 ( -2.281 -6.242 0.001) 6.646 1.742 ( -0.069 -7.650 -0.001) 7.650 2.048 ( 8.484 2.291 0.000) 8.788 2.090 ( 8.479 -0.987 0.000) 8.536 2.190 ( 11.544 2.649 0.000) 11.844 2.233 ( -11.288 0.391 0.000) 11.295 2.234 ( -3.963 -0.847 -0.000) 4.052 2.281 ( 7.712 -3.564 0.000) 8.496 2.380 ( -10.218 1.778 0.000) 10.372 2.437 ( -8.650 -3.185 0.000) 9.218 2.779 ( -5.786 1.573 0.000) 5.996 2.801 ( -0.796 0.110 0.000) 0.803 2.898 ( 2.560 3.522 -0.000) 4.354 2.905 ( -0.798 1.870 0.000) 2.033 3.087 ( -0.514 1.289 -0.000) 1.388 3.112 ( -3.469 0.641 0.000) 3.527 3.248 ( -0.099 0.329 0.000) 0.344 3.266 ( -2.187 -0.398 0.000) 2.223 3.389 ( -1.416 -0.414 0.000) 1.475 3.390 ( -2.500 -0.518 0.000) 2.553 3.430 ( -0.126 0.205 -0.000) 0.240 3.461 ( 0.186 -2.347 0.000) 2.355 3.609 ( 0.421 0.477 0.000) 0.636 3.616 ( 3.264 0.006 -0.000) 3.264 3.672 ( 0.634 0.017 0.000) 0.634 3.680 ( 0.460 -0.785 0.000) 0.909 3.825 ( 4.103 -0.212 0.000) 4.109 3.855 ( 0.628 -2.752 0.000) 2.823 4.083 ( 10.711 1.401 0.000) 10.803 4.104 ( 8.984 -0.389 0.000) 8.992 4.257 ( -5.438 5.828 0.000) 7.971 4.304 ( -0.572 4.028 -0.000) 4.068 4.380 ( -4.693 -4.495 -0.000) 6.499 4.388 ( -0.541 -3.294 0.000) 3.338 4.664 ( -1.742 2.627 0.000) 3.152 4.737 ( -0.592 -4.699 0.000) 4.736 4.852 ( 6.681 5.627 0.000) 8.735 4.967 ( 11.108 -5.211 0.000) 12.269 5.009 ( -3.987 1.325 0.000) 4.201 5.070 ( -5.950 -2.756 0.000) 6.557 5.150 ( 0.366 0.765 0.000) 0.848 5.207 ( 0.365 -3.294 0.000) 3.314 5.401 ( 7.183 2.527 0.000) 7.615 5.414 ( 6.862 1.295 0.000) 6.983 5.472 ( 0.175 1.038 0.000) 1.053 5.518 ( 1.189 -3.158 0.000) 3.374 5.764 ( -3.709 2.084 0.000) 4.255 5.803 ( -0.304 -1.896 0.000) 1.921 5.971 ( -0.073 2.275 0.000) 2.276 6.022 ( 0.679 -1.431 0.000) 1.584 6.504 ( 0.652 1.218 0.000) 1.381 6.516 ( 0.691 1.170 -0.000) 1.359 6.576 ( -4.354 1.550 -0.000) 4.622 6.640 ( -4.729 -2.319 0.000) 5.267 6.731 ( 2.137 1.352 0.000) 2.529 6.775 ( -0.410 -2.181 0.000) 2.219 6.844 ( 2.187 2.847 0.000) 3.590 6.908 ( 3.805 -2.970 0.000) 4.827 7.092 ( -4.671 3.229 0.000) 5.678 7.168 ( -3.337 -3.700 0.000) 4.982 7.246 ( 3.877 2.200 0.000) 4.458 7.275 ( 2.333 -0.739 0.000) 2.447 7.614 ( -4.979 -0.948 0.000) 5.069 7.632 ( -4.527 -2.615 0.000) 5.228 7.950 ( -4.530 2.304 0.000) 5.082 7.976 ( -3.517 -0.004 0.000) 3.517 9.582 ( 0.478 1.133 0.000) 1.230 9.592 ( 0.997 0.607 0.000) 1.167 9.618 ( 0.197 -0.561 0.000) 0.595 9.622 ( 0.470 -0.595 0.000) 0.759 10.327 ( 0.579 0.292 0.000) 0.649 10.340 ( 0.948 -0.830 0.000) 1.260 10.427 ( 1.102 0.777 0.000) 1.348 10.436 ( 1.331 -0.062 0.000) 1.333 10.749 ( -2.294 -0.009 -0.000) 2.294 10.755 ( -2.075 -0.479 0.000) 2.129 10.801 ( -2.055 0.438 0.000) 2.101 10.806 ( -1.862 0.002 0.000) 1.862 11.975 ( 4.629 -0.120 0.000) 4.631 11.983 ( 5.526 -0.835 0.000) 5.588 12.066 ( 9.292 0.868 0.000) 9.333 12.077 ( 10.466 -0.151 0.000) 10.467 12.847 ( -1.294 0.939 -0.000) 1.599 12.869 ( -0.227 -0.692 0.000) 0.728 12.914 ( 1.655 1.328 0.000) 2.122 12.955 ( 3.859 -1.750 0.000) 4.237 14.213 ( -3.045 2.593 0.000) 3.999 14.236 ( -2.272 2.831 0.000) 3.630 14.293 ( -6.319 -4.573 0.000) 7.800 14.322 ( -5.778 -5.001 0.000) 7.642 15.264 ( -4.853 0.440 0.000) 4.873 15.271 ( -4.683 -0.100 -0.000) 4.684 15.313 ( -5.650 -0.478 0.000) 5.670 15.324 ( -5.501 -1.409 -0.000) 5.678 15.599 ( 0.250 4.066 0.000) 4.073 15.664 ( 3.648 -1.586 0.000) 3.978 15.932 ( 2.330 1.068 -0.000) 2.563 15.938 ( 2.195 0.937 0.000) 2.386 16.034 ( 4.340 2.263 0.000) 4.894 16.100 ( 4.147 -3.037 0.000) 5.140 16.181 ( -1.704 -0.729 0.000) 1.853 16.196 ( -1.757 -1.254 0.000) 2.158 16.288 ( -3.079 3.161 0.000) 4.413 16.352 ( -3.537 -2.433 0.000) 4.293 16.565 ( 4.787 1.729 0.000) 5.090 16.603 ( 8.000 -1.417 0.000) 8.125 17.976 ( -0.591 0.691 0.000) 0.910 17.982 ( -0.696 0.202 -0.000) 0.724 18.011 ( 0.162 0.923 -0.000) 0.937 18.019 ( 0.175 0.249 0.000) 0.304 ======================= Grid point 124 (45/45) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 4.022 0.124 0.000) 4.024 0.846 ( 7.356 -4.617 0.000) 8.684 1.004 ( -3.493 1.262 0.000) 3.714 1.048 ( -5.763 -2.357 0.000) 6.226 1.397 ( -2.459 1.964 0.000) 3.147 1.448 ( -4.254 5.637 0.000) 7.062 1.460 ( 0.859 -0.915 -0.000) 1.255 1.473 ( 0.310 3.349 -0.000) 3.363 1.588 ( -6.130 -3.170 0.000) 6.901 1.650 ( 4.137 -6.413 0.000) 7.631 1.703 ( -1.082 2.888 0.000) 3.084 1.774 ( 2.932 -2.288 0.000) 3.719 1.982 ( -9.254 1.978 0.000) 9.463 2.004 ( -7.333 1.081 0.000) 7.412 2.047 ( -9.011 0.598 0.000) 9.031 2.098 ( -3.993 -4.459 -0.000) 5.985 2.345 ( 3.932 3.527 -0.000) 5.282 2.349 ( 3.931 2.252 0.000) 4.530 2.409 ( 3.107 -3.197 -0.000) 4.458 2.435 ( 3.609 -4.167 0.000) 5.513 2.741 ( 1.657 3.919 0.000) 4.255 2.829 ( 3.379 -3.584 0.000) 4.926 2.950 ( 2.799 6.873 0.000) 7.422 2.974 ( 1.163 2.570 0.000) 2.821 3.013 ( -4.668 2.573 0.000) 5.331 3.073 ( 0.955 1.232 0.000) 1.559 3.192 ( -3.771 -3.272 0.000) 4.992 3.217 ( -2.750 -3.718 0.000) 4.624 3.359 ( -1.393 -0.485 0.000) 1.475 3.368 ( 0.870 -0.528 0.000) 1.018 3.406 ( -2.114 -0.311 -0.000) 2.137 3.436 ( -1.336 -2.688 0.000) 3.002 3.618 ( 0.628 2.301 0.000) 2.386 3.664 ( -0.976 0.579 -0.000) 1.135 3.671 ( 1.550 -1.554 0.000) 2.195 3.679 ( -0.240 -1.220 0.000) 1.243 3.895 ( 3.105 2.470 0.000) 3.967 3.970 ( 8.066 -3.213 0.000) 8.682 4.115 ( -5.129 5.419 0.000) 7.462 4.207 ( -0.130 0.502 0.000) 0.519 4.259 ( -3.478 -2.583 0.000) 4.332 4.268 ( 4.232 -1.020 -0.000) 4.353 4.312 ( -0.463 1.911 0.000) 1.966 4.375 ( -0.710 -2.807 0.000) 2.896 4.644 ( -0.237 3.135 0.000) 3.144 4.728 ( -0.234 -4.915 0.000) 4.920 4.856 ( -1.973 7.632 0.000) 7.883 4.999 ( -1.730 -4.904 0.000) 5.201 5.097 ( 6.823 1.083 0.000) 6.909 5.154 ( 7.128 -3.727 0.000) 8.044 5.198 ( 2.892 0.670 0.000) 2.969 5.237 ( 1.525 -2.255 0.000) 2.722 5.469 ( -0.197 1.742 -0.000) 1.753 5.496 ( 2.386 1.723 0.000) 2.943 5.497 ( 1.661 1.508 0.000) 2.243 5.499 ( -2.576 -0.355 -0.000) 2.600 5.711 ( -1.032 3.198 0.000) 3.360 5.815 ( 1.330 -5.446 0.000) 5.606 5.969 ( -0.298 0.332 0.000) 0.446 5.997 ( -2.500 -1.622 0.000) 2.980 6.482 ( -0.862 0.477 0.000) 0.985 6.496 ( -0.352 -0.504 0.000) 0.615 6.521 ( -2.894 1.048 0.000) 3.078 6.536 ( -4.398 -0.584 -0.000) 4.437 6.823 ( 4.002 1.496 -0.000) 4.273 6.837 ( 6.870 1.395 0.000) 7.010 6.875 ( 0.409 4.076 0.000) 4.096 6.959 ( -1.457 -3.186 0.000) 3.504 7.013 ( -1.110 2.915 0.000) 3.120 7.112 ( -1.923 -5.081 0.000) 5.433 7.300 ( 0.037 1.383 0.000) 1.384 7.309 ( 2.165 1.463 0.000) 2.613 7.525 ( -2.983 -1.851 -0.000) 3.510 7.537 ( -3.840 -3.496 0.000) 5.193 7.869 ( -2.915 2.929 0.000) 4.133 7.906 ( -2.655 -0.397 0.000) 2.684 9.590 ( 0.301 0.971 0.000) 1.017 9.609 ( 0.605 -0.358 0.000) 0.703 9.620 ( 0.004 0.290 0.000) 0.290 9.630 ( 0.250 -0.329 0.000) 0.413 10.343 ( 0.750 0.162 -0.000) 0.767 10.357 ( 0.680 -1.115 0.000) 1.306 10.455 ( 1.261 0.951 0.000) 1.579 10.464 ( 1.158 0.079 0.000) 1.161 10.709 ( -1.411 0.133 0.000) 1.417 10.718 ( -1.303 -0.615 0.000) 1.441 10.762 ( -1.435 0.582 0.000) 1.548 10.770 ( -1.353 -0.087 0.000) 1.355 12.059 ( 2.966 0.083 0.000) 2.967 12.080 ( 3.331 -1.805 0.000) 3.788 12.223 ( 5.284 1.992 0.000) 5.647 12.253 ( 5.786 -0.579 0.000) 5.815 12.832 ( -0.353 1.866 0.000) 1.899 12.886 ( 1.680 -2.384 0.000) 2.917 12.930 ( -0.249 2.948 0.000) 2.958 13.024 ( 2.558 -4.441 0.000) 5.126 14.161 ( -1.768 0.682 0.000) 1.895 14.182 ( -3.458 -1.027 0.000) 3.607 14.190 ( -2.188 0.490 0.000) 2.243 14.206 ( -4.510 -0.862 -0.000) 4.591 15.200 ( -1.129 -0.698 0.000) 1.328 15.201 ( -1.793 -0.428 -0.000) 1.844 15.223 ( -3.180 -0.887 0.000) 3.302 15.228 ( -3.747 -1.254 -0.000) 3.951 15.598 ( -0.155 5.811 0.000) 5.813 15.718 ( 1.743 -4.722 0.000) 5.033 15.970 ( 0.086 3.165 0.000) 3.166 15.980 ( 1.702 1.095 0.000) 2.024 16.077 ( -0.820 2.397 -0.000) 2.533 16.100 ( 2.485 2.637 0.000) 3.623 16.162 ( -1.808 -2.228 0.000) 2.869 16.191 ( -0.840 -2.400 -0.000) 2.542 16.302 ( 2.599 -2.594 -0.000) 3.672 16.311 ( -0.825 -2.132 0.000) 2.286 16.630 ( 1.832 4.446 0.000) 4.808 16.715 ( 3.220 -2.846 0.000) 4.297 17.968 ( -0.247 0.321 0.000) 0.405 17.969 ( -0.426 0.129 -0.000) 0.445 18.014 ( 0.094 1.084 0.000) 1.088 18.020 ( -0.018 0.540 -0.000) 0.540 =================== 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 3/24000 10.0 22.448 11.573 17.600 0.000 0.000 -0.000 3/24000 20.0 7.865 3.027 6.024 0.000 0.000 -0.000 3/24000 30.0 4.441 1.553 3.314 0.000 0.000 -0.000 3/24000 40.0 3.032 1.026 2.229 0.000 0.000 -0.000 3/24000 50.0 2.299 0.773 1.682 0.000 0.000 -0.000 3/24000 60.0 1.862 0.628 1.363 0.000 0.000 -0.000 3/24000 70.0 1.576 0.534 1.158 0.000 0.000 -0.000 3/24000 80.0 1.376 0.468 1.015 0.000 0.000 -0.000 3/24000 90.0 1.229 0.419 0.909 0.000 0.000 -0.000 3/24000 100.0 1.116 0.381 0.827 0.000 0.000 -0.000 3/24000 110.0 1.028 0.351 0.761 0.000 0.000 -0.000 3/24000 120.0 0.956 0.326 0.708 0.000 0.000 -0.000 3/24000 130.0 0.896 0.306 0.662 0.000 0.000 -0.000 3/24000 140.0 0.846 0.289 0.624 0.000 0.000 -0.000 3/24000 150.0 0.802 0.274 0.590 0.000 0.000 -0.000 3/24000 160.0 0.764 0.261 0.561 0.000 0.000 -0.000 3/24000 170.0 0.731 0.250 0.535 0.000 0.000 -0.000 3/24000 180.0 0.700 0.240 0.511 0.000 0.000 -0.000 3/24000 190.0 0.673 0.231 0.490 0.000 0.000 -0.000 3/24000 200.0 0.647 0.223 0.470 0.000 0.000 -0.000 3/24000 210.0 0.624 0.215 0.453 0.000 0.000 -0.000 3/24000 220.0 0.603 0.208 0.436 0.000 0.000 -0.000 3/24000 230.0 0.583 0.201 0.421 0.000 0.000 -0.000 3/24000 240.0 0.564 0.195 0.407 0.000 0.000 -0.000 3/24000 250.0 0.546 0.190 0.393 0.000 0.000 -0.000 3/24000 260.0 0.530 0.184 0.381 0.000 0.000 -0.000 3/24000 270.0 0.514 0.179 0.369 0.000 0.000 -0.000 3/24000 280.0 0.499 0.174 0.358 0.000 0.000 -0.000 3/24000 290.0 0.485 0.170 0.348 0.000 0.000 -0.000 3/24000 300.0 0.472 0.165 0.338 0.000 0.000 -0.000 3/24000 310.0 0.460 0.161 0.329 0.000 0.000 -0.000 3/24000 320.0 0.448 0.157 0.320 0.000 0.000 -0.000 3/24000 330.0 0.436 0.153 0.311 0.000 0.000 -0.000 3/24000 340.0 0.425 0.150 0.303 0.000 0.000 -0.000 3/24000 350.0 0.415 0.146 0.296 0.000 0.000 -0.000 3/24000 360.0 0.405 0.143 0.289 0.000 0.000 -0.000 3/24000 370.0 0.396 0.140 0.282 0.000 0.000 -0.000 3/24000 380.0 0.387 0.137 0.275 0.000 0.000 -0.000 3/24000 390.0 0.378 0.134 0.269 0.000 0.000 -0.000 3/24000 400.0 0.370 0.131 0.263 0.000 0.000 -0.000 3/24000 410.0 0.362 0.128 0.257 0.000 0.000 -0.000 3/24000 420.0 0.354 0.126 0.252 0.000 0.000 -0.000 3/24000 430.0 0.347 0.123 0.246 0.000 0.000 -0.000 3/24000 440.0 0.340 0.121 0.241 0.000 0.000 -0.000 3/24000 450.0 0.333 0.118 0.236 0.000 0.000 -0.000 3/24000 460.0 0.327 0.116 0.232 0.000 0.000 -0.000 3/24000 470.0 0.320 0.114 0.227 0.000 0.000 -0.000 3/24000 480.0 0.314 0.112 0.223 0.000 0.000 -0.000 3/24000 490.0 0.308 0.110 0.218 0.000 0.000 -0.000 3/24000 500.0 0.303 0.108 0.214 0.000 0.000 -0.000 3/24000 510.0 0.297 0.106 0.210 0.000 0.000 -0.000 3/24000 520.0 0.292 0.104 0.207 0.000 0.000 -0.000 3/24000 530.0 0.287 0.103 0.203 0.000 0.000 -0.000 3/24000 540.0 0.282 0.101 0.200 0.000 0.000 -0.000 3/24000 550.0 0.277 0.099 0.196 0.000 0.000 -0.000 3/24000 560.0 0.273 0.098 0.193 0.000 0.000 -0.000 3/24000 570.0 0.268 0.096 0.190 0.000 0.000 -0.000 3/24000 580.0 0.264 0.094 0.187 0.000 0.000 -0.000 3/24000 590.0 0.260 0.093 0.184 0.000 0.000 -0.000 3/24000 600.0 0.256 0.092 0.181 0.000 0.000 -0.000 3/24000 610.0 0.252 0.090 0.178 0.000 0.000 -0.000 3/24000 620.0 0.248 0.089 0.175 0.000 0.000 -0.000 3/24000 630.0 0.244 0.088 0.173 0.000 0.000 -0.000 3/24000 640.0 0.241 0.086 0.170 0.000 0.000 -0.000 3/24000 650.0 0.237 0.085 0.167 0.000 0.000 -0.000 3/24000 660.0 0.234 0.084 0.165 0.000 0.000 -0.000 3/24000 670.0 0.230 0.083 0.163 0.000 0.000 -0.000 3/24000 680.0 0.227 0.082 0.160 0.000 0.000 -0.000 3/24000 690.0 0.224 0.080 0.158 0.000 0.000 -0.000 3/24000 700.0 0.221 0.079 0.156 0.000 0.000 -0.000 3/24000 710.0 0.218 0.078 0.154 0.000 0.000 -0.000 3/24000 720.0 0.215 0.077 0.152 0.000 0.000 -0.000 3/24000 730.0 0.212 0.076 0.150 0.000 0.000 -0.000 3/24000 740.0 0.210 0.075 0.148 0.000 0.000 -0.000 3/24000 750.0 0.207 0.074 0.146 0.000 0.000 -0.000 3/24000 760.0 0.204 0.073 0.144 0.000 0.000 -0.000 3/24000 770.0 0.202 0.073 0.142 0.000 0.000 -0.000 3/24000 780.0 0.199 0.072 0.141 0.000 0.000 -0.000 3/24000 790.0 0.197 0.071 0.139 0.000 0.000 -0.000 3/24000 800.0 0.194 0.070 0.137 0.000 0.000 -0.000 3/24000 810.0 0.192 0.069 0.136 0.000 0.000 -0.000 3/24000 820.0 0.190 0.068 0.134 0.000 0.000 -0.000 3/24000 830.0 0.188 0.068 0.132 0.000 0.000 -0.000 3/24000 840.0 0.186 0.067 0.131 0.000 0.000 -0.000 3/24000 850.0 0.183 0.066 0.129 0.000 0.000 -0.000 3/24000 860.0 0.181 0.065 0.128 0.000 0.000 -0.000 3/24000 870.0 0.179 0.065 0.126 0.000 0.000 -0.000 3/24000 880.0 0.177 0.064 0.125 0.000 0.000 -0.000 3/24000 890.0 0.175 0.063 0.124 0.000 0.000 -0.000 3/24000 900.0 0.174 0.063 0.122 0.000 0.000 -0.000 3/24000 910.0 0.172 0.062 0.121 0.000 0.000 -0.000 3/24000 920.0 0.170 0.061 0.120 0.000 0.000 -0.000 3/24000 930.0 0.168 0.061 0.118 0.000 0.000 -0.000 3/24000 940.0 0.166 0.060 0.117 0.000 0.000 -0.000 3/24000 950.0 0.165 0.059 0.116 0.000 0.000 -0.000 3/24000 960.0 0.163 0.059 0.115 0.000 0.000 -0.000 3/24000 970.0 0.161 0.058 0.114 0.000 0.000 -0.000 3/24000 980.0 0.160 0.058 0.113 0.000 0.000 -0.000 3/24000 990.0 0.158 0.057 0.111 0.000 0.000 -0.000 3/24000 1000.0 0.157 0.056 0.110 0.000 0.000 -0.000 3/24000 Thermal conductivity related properties were written into "kappa-m558.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:31:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|