----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:07:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.426306910053796 0.000000000000000 0.000000000000000 b 0.000000000000000 12.196509529999998 0.000000000000000 c -7.781076398254007 0.000000000000000 9.035879085681128 Atomic positions (fractional): *1 Ge 0.48572458743095 0.02125779708509 0.18307630268930 72.640 2 Ge 0.51427541256905 0.97874220291491 0.81692369731070 72.640 3 Ge 0.48572458743095 0.47874220291491 0.68307630268930 72.640 4 Ge 0.51427541256905 0.52125779708509 0.31692369731070 72.640 *5 Ge 0.84264969056633 0.54836035773888 0.82980816993171 72.640 6 Ge 0.15735030943367 0.04836035773888 0.67019183006829 72.640 7 Ge 0.15735030943367 0.45163964226112 0.17019183006829 72.640 8 Ge 0.84264969056633 0.95163964226112 0.32980816993170 72.640 *9 Se 0.89229417887716 0.59013307628419 0.05514247067750 78.960 10 Se 0.10770582112284 0.09013307628419 0.44485752932250 78.960 11 Se 0.10770582112284 0.40986692371581 0.94485752932250 78.960 12 Se 0.89229417887716 0.90986692371581 0.55514247067750 78.960 *13 Se 0.93434616590108 0.79221723139966 0.27300414392868 78.960 14 Se 0.93434616590108 0.70778276860034 0.77300414392868 78.960 15 Se 0.06565383409892 0.29221723139966 0.22699585607132 78.960 16 Se 0.06565383409892 0.20778276860034 0.72699585607132 78.960 *17 Se 0.24942654994420 0.55837923633087 0.44814451356982 78.960 18 Se 0.75057345005580 0.05837923633087 0.05185548643018 78.960 19 Se 0.75057345005580 0.44162076366913 0.55185548643018 78.960 20 Se 0.24942654994420 0.94162076366913 0.94814451356982 78.960 *21 Se 0.68547591396135 0.49350579338522 0.22089889256779 78.960 22 Se 0.31452408603865 0.99350579338522 0.27910110743221 78.960 23 Se 0.31452408603865 0.50649420661478 0.77910110743221 78.960 24 Se 0.68547591396135 0.00649420661478 0.72089889256779 78.960 *25 Se 0.47726312835916 0.78335798779796 0.79104974206699 78.960 26 Se 0.52273687164084 0.28335798779796 0.70895025793301 78.960 27 Se 0.52273687164084 0.21664201220204 0.20895025793301 78.960 28 Se 0.47726312835916 0.71664201220204 0.29104974206699 78.960 *29 Sr 0.45732572370872 0.80559247986422 0.51874805680864 87.620 30 Sr 0.54267427629128 0.30559247986422 0.98125194319136 87.620 31 Sr 0.54267427629128 0.19440752013578 0.48125194319136 87.620 32 Sr 0.45732572370872 0.69440752013578 0.01874805680864 87.620 *33 Sr 0.98331116457145 0.66340712212499 0.52546695444654 87.620 34 Sr 0.01668883542855 0.16340712212499 0.97453304555346 87.620 35 Sr 0.01668883542855 0.33659287787501 0.47453304555346 87.620 36 Sr 0.98331116457145 0.83659287787501 0.02546695444654 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.426306910053796 0.000000000000000 0.000000000000000 b 0.000000000000000 12.196509529999998 0.000000000000000 c -7.781076398254007 0.000000000000000 9.035879085681128 Atomic positions (fractional): *1 Ge 0.48572458743095 0.02125779708509 0.18307630268930 72.640 > 1 2 Ge 0.51427541256905 0.97874220291491 0.81692369731070 72.640 > 2 3 Ge 0.48572458743095 0.47874220291491 0.68307630268930 72.640 > 3 4 Ge 0.51427541256905 0.52125779708509 0.31692369731070 72.640 > 4 *5 Ge 0.84264969056633 0.54836035773888 0.82980816993171 72.640 > 5 6 Ge 0.15735030943367 0.04836035773888 0.67019183006829 72.640 > 6 7 Ge 0.15735030943367 0.45163964226112 0.17019183006829 72.640 > 7 8 Ge 0.84264969056633 0.95163964226112 0.32980816993170 72.640 > 8 *9 Se 0.89229417887716 0.59013307628419 0.05514247067750 78.960 > 9 10 Se 0.10770582112284 0.09013307628419 0.44485752932250 78.960 > 10 11 Se 0.10770582112284 0.40986692371581 0.94485752932250 78.960 > 11 12 Se 0.89229417887716 0.90986692371581 0.55514247067750 78.960 > 12 *13 Se 0.93434616590108 0.79221723139966 0.27300414392868 78.960 > 13 14 Se 0.93434616590108 0.70778276860034 0.77300414392868 78.960 > 14 15 Se 0.06565383409892 0.29221723139966 0.22699585607132 78.960 > 15 16 Se 0.06565383409892 0.20778276860034 0.72699585607132 78.960 > 16 *17 Se 0.24942654994420 0.55837923633087 0.44814451356982 78.960 > 17 18 Se 0.75057345005580 0.05837923633087 0.05185548643018 78.960 > 18 19 Se 0.75057345005580 0.44162076366913 0.55185548643018 78.960 > 19 20 Se 0.24942654994420 0.94162076366913 0.94814451356982 78.960 > 20 *21 Se 0.68547591396135 0.49350579338522 0.22089889256779 78.960 > 21 22 Se 0.31452408603865 0.99350579338522 0.27910110743221 78.960 > 22 23 Se 0.31452408603865 0.50649420661478 0.77910110743221 78.960 > 23 24 Se 0.68547591396135 0.00649420661478 0.72089889256779 78.960 > 24 *25 Se 0.47726312835916 0.78335798779796 0.79104974206699 78.960 > 25 26 Se 0.52273687164084 0.28335798779796 0.70895025793301 78.960 > 26 27 Se 0.52273687164084 0.21664201220204 0.20895025793301 78.960 > 27 28 Se 0.47726312835916 0.71664201220204 0.29104974206699 78.960 > 28 *29 Sr 0.45732572370872 0.80559247986422 0.51874805680864 87.620 > 29 30 Sr 0.54267427629128 0.30559247986422 0.98125194319136 87.620 > 30 31 Sr 0.54267427629128 0.19440752013578 0.48125194319136 87.620 > 31 32 Sr 0.45732572370872 0.69440752013578 0.01874805680864 87.620 > 32 *33 Sr 0.98331116457145 0.66340712212499 0.52546695444654 87.620 > 33 34 Sr 0.01668883542855 0.16340712212499 0.97453304555346 87.620 > 34 35 Sr 0.01668883542855 0.33659287787501 0.47453304555346 87.620 > 35 36 Sr 0.98331116457145 0.83659287787501 0.02546695444654 87.620 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.852613820107592 0.000000000000000 0.000000000000000 b 0.000000000000000 12.196509529999998 0.000000000000000 c -15.562152796508014 0.000000000000000 18.071758171362255 Atomic positions (fractional): *1 Ge 0.24286229371548 0.02125779708509 0.09153815134465 72.640 > 1 2 Ge 0.74286229371548 0.02125779708509 0.09153815134465 72.640 > 1 3 Ge 0.24286229371548 0.02125779708509 0.59153815134465 72.640 > 1 4 Ge 0.74286229371548 0.02125779708509 0.59153815134465 72.640 > 1 5 Ge 0.25713770628452 0.97874220291491 0.40846184865535 72.640 > 2 6 Ge 0.75713770628452 0.97874220291491 0.40846184865535 72.640 > 2 7 Ge 0.25713770628452 0.97874220291491 0.90846184865535 72.640 > 2 8 Ge 0.75713770628452 0.97874220291491 0.90846184865535 72.640 > 2 9 Ge 0.24286229371548 0.47874220291491 0.34153815134465 72.640 > 3 10 Ge 0.74286229371548 0.47874220291491 0.34153815134465 72.640 > 3 11 Ge 0.24286229371548 0.47874220291491 0.84153815134465 72.640 > 3 12 Ge 0.74286229371548 0.47874220291491 0.84153815134465 72.640 > 3 13 Ge 0.25713770628452 0.52125779708509 0.15846184865535 72.640 > 4 14 Ge 0.75713770628452 0.52125779708509 0.15846184865535 72.640 > 4 15 Ge 0.25713770628452 0.52125779708509 0.65846184865535 72.640 > 4 16 Ge 0.75713770628452 0.52125779708509 0.65846184865535 72.640 > 4 *17 Ge 0.42132484528317 0.54836035773888 0.41490408496585 72.640 > 5 18 Ge 0.92132484528317 0.54836035773888 0.41490408496585 72.640 > 5 19 Ge 0.42132484528317 0.54836035773888 0.91490408496585 72.640 > 5 20 Ge 0.92132484528317 0.54836035773888 0.91490408496585 72.640 > 5 21 Ge 0.07867515471683 0.04836035773888 0.33509591503415 72.640 > 6 22 Ge 0.57867515471683 0.04836035773888 0.33509591503415 72.640 > 6 23 Ge 0.07867515471683 0.04836035773888 0.83509591503415 72.640 > 6 24 Ge 0.57867515471683 0.04836035773888 0.83509591503415 72.640 > 6 25 Ge 0.07867515471683 0.45163964226112 0.08509591503415 72.640 > 7 26 Ge 0.57867515471683 0.45163964226112 0.08509591503415 72.640 > 7 27 Ge 0.07867515471683 0.45163964226112 0.58509591503415 72.640 > 7 28 Ge 0.57867515471683 0.45163964226112 0.58509591503415 72.640 > 7 29 Ge 0.42132484528317 0.95163964226112 0.16490408496585 72.640 > 8 30 Ge 0.92132484528317 0.95163964226112 0.16490408496585 72.640 > 8 31 Ge 0.42132484528317 0.95163964226112 0.66490408496585 72.640 > 8 32 Ge 0.92132484528317 0.95163964226112 0.66490408496585 72.640 > 8 *33 Se 0.44614708943858 0.59013307628419 0.02757123533875 78.960 > 9 34 Se 0.94614708943858 0.59013307628419 0.02757123533875 78.960 > 9 35 Se 0.44614708943858 0.59013307628419 0.52757123533875 78.960 > 9 36 Se 0.94614708943858 0.59013307628419 0.52757123533875 78.960 > 9 37 Se 0.05385291056142 0.09013307628419 0.22242876466125 78.960 > 10 38 Se 0.55385291056142 0.09013307628419 0.22242876466125 78.960 > 10 39 Se 0.05385291056142 0.09013307628419 0.72242876466125 78.960 > 10 40 Se 0.55385291056142 0.09013307628419 0.72242876466125 78.960 > 10 41 Se 0.05385291056142 0.40986692371581 0.47242876466125 78.960 > 11 42 Se 0.55385291056142 0.40986692371581 0.47242876466125 78.960 > 11 43 Se 0.05385291056142 0.40986692371581 0.97242876466125 78.960 > 11 44 Se 0.55385291056142 0.40986692371581 0.97242876466125 78.960 > 11 45 Se 0.44614708943858 0.90986692371581 0.27757123533875 78.960 > 12 46 Se 0.94614708943858 0.90986692371581 0.27757123533875 78.960 > 12 47 Se 0.44614708943858 0.90986692371581 0.77757123533875 78.960 > 12 48 Se 0.94614708943858 0.90986692371581 0.77757123533875 78.960 > 12 *49 Se 0.46717308295054 0.79221723139966 0.13650207196434 78.960 > 13 50 Se 0.96717308295054 0.79221723139966 0.13650207196434 78.960 > 13 51 Se 0.46717308295054 0.79221723139966 0.63650207196434 78.960 > 13 52 Se 0.96717308295054 0.79221723139966 0.63650207196434 78.960 > 13 53 Se 0.46717308295054 0.70778276860034 0.38650207196434 78.960 > 14 54 Se 0.96717308295054 0.70778276860034 0.38650207196434 78.960 > 14 55 Se 0.46717308295054 0.70778276860034 0.88650207196434 78.960 > 14 56 Se 0.96717308295054 0.70778276860034 0.88650207196434 78.960 > 14 57 Se 0.03282691704946 0.29221723139966 0.11349792803566 78.960 > 15 58 Se 0.53282691704946 0.29221723139966 0.11349792803566 78.960 > 15 59 Se 0.03282691704946 0.29221723139966 0.61349792803566 78.960 > 15 60 Se 0.53282691704946 0.29221723139966 0.61349792803566 78.960 > 15 61 Se 0.03282691704946 0.20778276860034 0.36349792803566 78.960 > 16 62 Se 0.53282691704946 0.20778276860034 0.36349792803566 78.960 > 16 63 Se 0.03282691704946 0.20778276860034 0.86349792803566 78.960 > 16 64 Se 0.53282691704946 0.20778276860034 0.86349792803566 78.960 > 16 *65 Se 0.12471327497210 0.55837923633087 0.22407225678491 78.960 > 17 66 Se 0.62471327497210 0.55837923633087 0.22407225678491 78.960 > 17 67 Se 0.12471327497210 0.55837923633087 0.72407225678491 78.960 > 17 68 Se 0.62471327497210 0.55837923633087 0.72407225678491 78.960 > 17 69 Se 0.37528672502790 0.05837923633087 0.02592774321509 78.960 > 18 70 Se 0.87528672502790 0.05837923633087 0.02592774321509 78.960 > 18 71 Se 0.37528672502790 0.05837923633087 0.52592774321509 78.960 > 18 72 Se 0.87528672502790 0.05837923633087 0.52592774321509 78.960 > 18 73 Se 0.37528672502790 0.44162076366913 0.27592774321509 78.960 > 19 74 Se 0.87528672502790 0.44162076366913 0.27592774321509 78.960 > 19 75 Se 0.37528672502790 0.44162076366913 0.77592774321509 78.960 > 19 76 Se 0.87528672502790 0.44162076366913 0.77592774321509 78.960 > 19 77 Se 0.12471327497210 0.94162076366913 0.47407225678491 78.960 > 20 78 Se 0.62471327497210 0.94162076366913 0.47407225678491 78.960 > 20 79 Se 0.12471327497210 0.94162076366913 0.97407225678491 78.960 > 20 80 Se 0.62471327497210 0.94162076366913 0.97407225678491 78.960 > 20 *81 Se 0.34273795698068 0.49350579338522 0.11044944628389 78.960 > 21 82 Se 0.84273795698068 0.49350579338522 0.11044944628389 78.960 > 21 83 Se 0.34273795698068 0.49350579338522 0.61044944628389 78.960 > 21 84 Se 0.84273795698068 0.49350579338522 0.61044944628389 78.960 > 21 85 Se 0.15726204301932 0.99350579338522 0.13955055371611 78.960 > 22 86 Se 0.65726204301932 0.99350579338522 0.13955055371611 78.960 > 22 87 Se 0.15726204301932 0.99350579338522 0.63955055371611 78.960 > 22 88 Se 0.65726204301932 0.99350579338522 0.63955055371611 78.960 > 22 89 Se 0.15726204301932 0.50649420661478 0.38955055371611 78.960 > 23 90 Se 0.65726204301932 0.50649420661478 0.38955055371611 78.960 > 23 91 Se 0.15726204301932 0.50649420661478 0.88955055371611 78.960 > 23 92 Se 0.65726204301932 0.50649420661478 0.88955055371611 78.960 > 23 93 Se 0.34273795698068 0.00649420661478 0.36044944628389 78.960 > 24 94 Se 0.84273795698068 0.00649420661478 0.36044944628389 78.960 > 24 95 Se 0.34273795698068 0.00649420661478 0.86044944628389 78.960 > 24 96 Se 0.84273795698068 0.00649420661478 0.86044944628389 78.960 > 24 *97 Se 0.23863156417958 0.78335798779796 0.39552487103349 78.960 > 25 98 Se 0.73863156417958 0.78335798779796 0.39552487103349 78.960 > 25 99 Se 0.23863156417958 0.78335798779796 0.89552487103349 78.960 > 25 100 Se 0.73863156417958 0.78335798779796 0.89552487103349 78.960 > 25 101 Se 0.26136843582042 0.28335798779796 0.35447512896651 78.960 > 26 102 Se 0.76136843582042 0.28335798779796 0.35447512896651 78.960 > 26 103 Se 0.26136843582042 0.28335798779796 0.85447512896651 78.960 > 26 104 Se 0.76136843582042 0.28335798779796 0.85447512896651 78.960 > 26 105 Se 0.26136843582042 0.21664201220204 0.10447512896651 78.960 > 27 106 Se 0.76136843582042 0.21664201220204 0.10447512896651 78.960 > 27 107 Se 0.26136843582042 0.21664201220204 0.60447512896651 78.960 > 27 108 Se 0.76136843582042 0.21664201220204 0.60447512896651 78.960 > 27 109 Se 0.23863156417958 0.71664201220204 0.14552487103349 78.960 > 28 110 Se 0.73863156417958 0.71664201220204 0.14552487103349 78.960 > 28 111 Se 0.23863156417958 0.71664201220204 0.64552487103349 78.960 > 28 112 Se 0.73863156417958 0.71664201220204 0.64552487103349 78.960 > 28 *113 Sr 0.22866286185436 0.80559247986422 0.25937402840432 87.620 > 29 114 Sr 0.72866286185436 0.80559247986422 0.25937402840432 87.620 > 29 115 Sr 0.22866286185436 0.80559247986422 0.75937402840432 87.620 > 29 116 Sr 0.72866286185436 0.80559247986422 0.75937402840432 87.620 > 29 117 Sr 0.27133713814564 0.30559247986422 0.49062597159568 87.620 > 30 118 Sr 0.77133713814564 0.30559247986422 0.49062597159568 87.620 > 30 119 Sr 0.27133713814564 0.30559247986422 0.99062597159568 87.620 > 30 120 Sr 0.77133713814564 0.30559247986422 0.99062597159568 87.620 > 30 121 Sr 0.27133713814564 0.19440752013578 0.24062597159568 87.620 > 31 122 Sr 0.77133713814564 0.19440752013578 0.24062597159568 87.620 > 31 123 Sr 0.27133713814564 0.19440752013578 0.74062597159568 87.620 > 31 124 Sr 0.77133713814564 0.19440752013578 0.74062597159568 87.620 > 31 125 Sr 0.22866286185436 0.69440752013578 0.00937402840432 87.620 > 32 126 Sr 0.72866286185436 0.69440752013578 0.00937402840432 87.620 > 32 127 Sr 0.22866286185436 0.69440752013578 0.50937402840432 87.620 > 32 128 Sr 0.72866286185436 0.69440752013578 0.50937402840432 87.620 > 32 *129 Sr 0.49165558228573 0.66340712212499 0.26273347722327 87.620 > 33 130 Sr 0.99165558228573 0.66340712212499 0.26273347722327 87.620 > 33 131 Sr 0.49165558228573 0.66340712212499 0.76273347722327 87.620 > 33 132 Sr 0.99165558228573 0.66340712212499 0.76273347722327 87.620 > 33 133 Sr 0.00834441771427 0.16340712212499 0.48726652277673 87.620 > 34 134 Sr 0.50834441771427 0.16340712212499 0.48726652277673 87.620 > 34 135 Sr 0.00834441771427 0.16340712212499 0.98726652277673 87.620 > 34 136 Sr 0.50834441771427 0.16340712212499 0.98726652277673 87.620 > 34 137 Sr 0.00834441771427 0.33659287787501 0.23726652277673 87.620 > 35 138 Sr 0.50834441771427 0.33659287787501 0.23726652277673 87.620 > 35 139 Sr 0.00834441771427 0.33659287787501 0.73726652277673 87.620 > 35 140 Sr 0.50834441771427 0.33659287787501 0.73726652277673 87.620 > 35 141 Sr 0.49165558228573 0.83659287787501 0.01273347722327 87.620 > 36 142 Sr 0.99165558228573 0.83659287787501 0.01273347722327 87.620 > 36 143 Sr 0.49165558228573 0.83659287787501 0.51273347722327 87.620 > 36 144 Sr 0.99165558228573 0.83659287787501 0.51273347722327 87.620 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.4887141 0.0000000 -0.1027124 0.0000000 8.7318145 0.0000000 -0.1028591 0.0000000 9.0181891 -------------------------- Born effective charges -------------------------- 1 Ge 2.4498676 -0.1954697 -0.1191428 0.1744728 2.1662419 0.4141157 0.0847783 0.3219034 2.2967096 2 Ge 2.4498676 -0.1954697 -0.1191428 0.1744728 2.1662419 0.4141157 0.0847783 0.3219034 2.2967096 3 Ge 2.4498676 0.1954697 -0.1191428 -0.1744728 2.1662419 -0.4141157 0.0847783 -0.3219034 2.2967096 4 Ge 2.4498676 0.1954697 -0.1191428 -0.1744728 2.1662419 -0.4141157 0.0847783 -0.3219034 2.2967096 5 Ge 1.8972843 -0.1060063 -0.4207660 -0.1013047 2.2511951 -0.0847906 -1.0073212 0.0697106 3.8313057 6 Ge 1.8972843 0.1060063 -0.4207660 0.1013047 2.2511951 0.0847906 -1.0073212 -0.0697106 3.8313057 7 Ge 1.8972843 -0.1060063 -0.4207660 -0.1013047 2.2511951 -0.0847906 -1.0073212 0.0697106 3.8313057 8 Ge 1.8972843 0.1060063 -0.4207660 0.1013047 2.2511951 0.0847906 -1.0073212 -0.0697106 3.8313057 9 Se -1.7070448 0.5173677 0.1431022 0.4020034 -1.6292729 -0.1447181 0.5947528 0.1131194 -2.7721795 10 Se -1.7070448 -0.5173677 0.1431022 -0.4020034 -1.6292729 0.1447181 0.5947528 -0.1131194 -2.7721795 11 Se -1.7070448 0.5173677 0.1431022 0.4020034 -1.6292729 -0.1447181 0.5947528 0.1131194 -2.7721795 12 Se -1.7070448 -0.5173677 0.1431022 -0.4020034 -1.6292729 0.1447181 0.5947528 -0.1131194 -2.7721795 13 Se -2.1459943 0.2137173 -0.0610377 0.2730417 -1.8314937 -0.0267575 -0.0948588 0.1863431 -1.7057706 14 Se -2.1459943 -0.2137173 -0.0610377 -0.2730417 -1.8314937 0.0267575 -0.0948588 -0.1863431 -1.7057706 15 Se -2.1459943 -0.2137173 -0.0610377 -0.2730417 -1.8314937 0.0267575 -0.0948588 -0.1863431 -1.7057706 16 Se -2.1459943 0.2137173 -0.0610377 0.2730417 -1.8314937 -0.0267575 -0.0948588 0.1863431 -1.7057706 17 Se -1.8112847 0.0133790 0.1434373 -0.0866532 -1.6925971 0.0778064 0.1279229 0.1951798 -2.8234178 18 Se -1.8112847 -0.0133790 0.1434373 0.0866532 -1.6925971 -0.0778064 0.1279229 -0.1951798 -2.8234178 19 Se -1.8112847 0.0133790 0.1434373 -0.0866532 -1.6925971 0.0778064 0.1279229 0.1951798 -2.8234178 20 Se -1.8112847 -0.0133790 0.1434373 0.0866532 -1.6925971 -0.0778064 0.1279229 -0.1951798 -2.8234178 21 Se -2.1440649 0.2285782 0.3408853 0.2171369 -2.1533422 -0.0955681 0.3066243 -0.1842859 -2.0552549 22 Se -2.1440649 -0.2285782 0.3408853 -0.2171369 -2.1533422 0.0955681 0.3066243 0.1842859 -2.0552549 23 Se -2.1440649 0.2285782 0.3408853 0.2171369 -2.1533422 -0.0955681 0.3066243 -0.1842859 -2.0552549 24 Se -2.1440649 -0.2285782 0.3408853 -0.2171369 -2.1533422 0.0955681 0.3066243 0.1842859 -2.0552549 25 Se -1.7452993 0.3282045 -0.0322092 0.0250551 -2.4325463 -0.0785208 0.0104221 0.2325643 -1.8967861 26 Se -1.7452993 -0.3282045 -0.0322092 -0.0250551 -2.4325463 0.0785208 0.0104221 -0.2325643 -1.8967861 27 Se -1.7452993 0.3282045 -0.0322092 0.0250551 -2.4325463 -0.0785208 0.0104221 0.2325643 -1.8967861 28 Se -1.7452993 -0.3282045 -0.0322092 -0.0250551 -2.4325463 0.0785208 0.0104221 -0.2325643 -1.8967861 29 Sr 2.5706399 0.1612316 -0.2911100 -0.2626475 2.6233805 0.2850659 -0.0906520 -0.0453443 2.7762482 30 Sr 2.5706399 -0.1612316 -0.2911100 0.2626475 2.6233805 -0.2850659 -0.0906520 0.0453443 2.7762482 31 Sr 2.5706399 0.1612316 -0.2911100 -0.2626475 2.6233805 0.2850659 -0.0906520 -0.0453443 2.7762482 32 Sr 2.5706399 -0.1612316 -0.2911100 0.2626475 2.6233805 -0.2850659 -0.0906520 0.0453443 2.7762482 33 Sr 2.6358961 -0.0574483 0.2968408 0.1743713 2.6984346 -0.0199100 0.0683315 0.0844127 2.3491454 34 Sr 2.6358961 0.0574483 0.2968408 -0.1743713 2.6984346 0.0199100 0.0683315 -0.0844127 2.3491454 35 Sr 2.6358961 -0.0574483 0.2968408 0.1743713 2.6984346 -0.0199100 0.0683315 0.0844127 2.3491454 36 Sr 2.6358961 0.0574483 0.2968408 -0.1743713 2.6984346 0.0199100 0.0683315 -0.0844127 2.3491454 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 284 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 284 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 196 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 6), data: (702, 15) @ (15, 6) |-- (202, 196), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 28), data: (1296, 46) @ (46, 28) |-- (296, 284), data: True |-- (500, 484), data: False |-- (500, 10), data: (500, 26) @ (26, 10) |-- (250, 240), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 28), data: (1296, 46) @ (46, 28) |-- (296, 284), data: True |-- (500, 484), data: False |-- (500, 10), data: (500, 26) @ (26, 10) |-- (250, 240), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.876 Solver_block: 200 / 1120 - Time: 1.677 Solver_block: 300 / 1120 - Time: 1.673 Solver_block: 400 / 1120 - Time: 1.675 Solver_block: 500 / 1120 - Time: 1.674 Solver_block: 600 / 1120 - Time: 1.683 Solver_block: 700 / 1120 - Time: 1.679 Solver_block: 800 / 1120 - Time: 1.671 Solver_block: 900 / 1120 - Time: 1.670 Solver_block: 1000 / 1120 - Time: 1.674 Solver_block: 1100 / 1120 - Time: 1.672 Solver_block: 1120 / 1120 - Time: 0.498 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.619 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 284 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 284 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 196 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 6), data: (702, 15) @ (15, 6) |-- (202, 196), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 28), data: (1296, 46) @ (46, 28) |-- (296, 284), data: True |-- (500, 484), data: False |-- (500, 10), data: (500, 26) @ (26, 10) |-- (250, 240), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 28), data: (1296, 46) @ (46, 28) |-- (296, 284), data: True |-- (500, 484), data: False |-- (500, 10), data: (500, 26) @ (26, 10) |-- (250, 240), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:08:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:08:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.426306910053796 0.000000000000000 0.000000000000000 b 0.000000000000000 12.196509529999998 0.000000000000000 c -7.781076398254007 0.000000000000000 9.035879085681128 Atomic positions (fractional): 1 Ge 0.48572458743095 0.02125779708509 0.18307630268930 72.640 2 Ge 0.51427541256905 0.97874220291491 0.81692369731070 72.640 3 Ge 0.48572458743095 0.47874220291491 0.68307630268930 72.640 4 Ge 0.51427541256905 0.52125779708509 0.31692369731070 72.640 5 Ge 0.84264969056633 0.54836035773888 0.82980816993171 72.640 6 Ge 0.15735030943367 0.04836035773888 0.67019183006829 72.640 7 Ge 0.15735030943367 0.45163964226112 0.17019183006829 72.640 8 Ge 0.84264969056633 0.95163964226112 0.32980816993170 72.640 9 Se 0.89229417887716 0.59013307628419 0.05514247067750 78.960 10 Se 0.10770582112284 0.09013307628419 0.44485752932250 78.960 11 Se 0.10770582112284 0.40986692371581 0.94485752932250 78.960 12 Se 0.89229417887716 0.90986692371581 0.55514247067750 78.960 13 Se 0.93434616590108 0.79221723139966 0.27300414392868 78.960 14 Se 0.93434616590108 0.70778276860034 0.77300414392868 78.960 15 Se 0.06565383409892 0.29221723139966 0.22699585607132 78.960 16 Se 0.06565383409892 0.20778276860034 0.72699585607132 78.960 17 Se 0.24942654994420 0.55837923633087 0.44814451356982 78.960 18 Se 0.75057345005580 0.05837923633087 0.05185548643018 78.960 19 Se 0.75057345005580 0.44162076366913 0.55185548643018 78.960 20 Se 0.24942654994420 0.94162076366913 0.94814451356982 78.960 21 Se 0.68547591396135 0.49350579338522 0.22089889256779 78.960 22 Se 0.31452408603865 0.99350579338522 0.27910110743221 78.960 23 Se 0.31452408603865 0.50649420661478 0.77910110743221 78.960 24 Se 0.68547591396135 0.00649420661478 0.72089889256779 78.960 25 Se 0.47726312835916 0.78335798779796 0.79104974206699 78.960 26 Se 0.52273687164084 0.28335798779796 0.70895025793301 78.960 27 Se 0.52273687164084 0.21664201220204 0.20895025793301 78.960 28 Se 0.47726312835916 0.71664201220204 0.29104974206699 78.960 29 Sr 0.45732572370872 0.80559247986422 0.51874805680864 87.620 30 Sr 0.54267427629128 0.30559247986422 0.98125194319136 87.620 31 Sr 0.54267427629128 0.19440752013578 0.48125194319136 87.620 32 Sr 0.45732572370872 0.69440752013578 0.01874805680864 87.620 33 Sr 0.98331116457145 0.66340712212499 0.52546695444654 87.620 34 Sr 0.01668883542855 0.16340712212499 0.97453304555346 87.620 35 Sr 0.01668883542855 0.33659287787501 0.47453304555346 87.620 36 Sr 0.98331116457145 0.83659287787501 0.02546695444654 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.852613820107592 0.000000000000000 0.000000000000000 b 0.000000000000000 12.196509529999998 0.000000000000000 c -15.562152796508014 0.000000000000000 18.071758171362255 Atomic positions (fractional): 1 Ge 0.24286229371548 0.02125779708509 0.09153815134465 72.640 > 1 2 Ge 0.74286229371548 0.02125779708509 0.09153815134465 72.640 > 1 3 Ge 0.24286229371548 0.02125779708509 0.59153815134465 72.640 > 1 4 Ge 0.74286229371548 0.02125779708509 0.59153815134465 72.640 > 1 5 Ge 0.25713770628452 0.97874220291491 0.40846184865535 72.640 > 5 6 Ge 0.75713770628452 0.97874220291491 0.40846184865535 72.640 > 5 7 Ge 0.25713770628452 0.97874220291491 0.90846184865535 72.640 > 5 8 Ge 0.75713770628452 0.97874220291491 0.90846184865535 72.640 > 5 9 Ge 0.24286229371548 0.47874220291491 0.34153815134465 72.640 > 9 10 Ge 0.74286229371548 0.47874220291491 0.34153815134465 72.640 > 9 11 Ge 0.24286229371548 0.47874220291491 0.84153815134465 72.640 > 9 12 Ge 0.74286229371548 0.47874220291491 0.84153815134465 72.640 > 9 13 Ge 0.25713770628452 0.52125779708509 0.15846184865535 72.640 > 13 14 Ge 0.75713770628452 0.52125779708509 0.15846184865535 72.640 > 13 15 Ge 0.25713770628452 0.52125779708509 0.65846184865535 72.640 > 13 16 Ge 0.75713770628452 0.52125779708509 0.65846184865535 72.640 > 13 17 Ge 0.42132484528317 0.54836035773888 0.41490408496585 72.640 > 17 18 Ge 0.92132484528317 0.54836035773888 0.41490408496585 72.640 > 17 19 Ge 0.42132484528317 0.54836035773888 0.91490408496585 72.640 > 17 20 Ge 0.92132484528317 0.54836035773888 0.91490408496585 72.640 > 17 21 Ge 0.07867515471683 0.04836035773888 0.33509591503415 72.640 > 21 22 Ge 0.57867515471683 0.04836035773888 0.33509591503415 72.640 > 21 23 Ge 0.07867515471683 0.04836035773888 0.83509591503415 72.640 > 21 24 Ge 0.57867515471683 0.04836035773888 0.83509591503415 72.640 > 21 25 Ge 0.07867515471683 0.45163964226112 0.08509591503415 72.640 > 25 26 Ge 0.57867515471683 0.45163964226112 0.08509591503415 72.640 > 25 27 Ge 0.07867515471683 0.45163964226112 0.58509591503415 72.640 > 25 28 Ge 0.57867515471683 0.45163964226112 0.58509591503415 72.640 > 25 29 Ge 0.42132484528317 0.95163964226112 0.16490408496585 72.640 > 29 30 Ge 0.92132484528317 0.95163964226112 0.16490408496585 72.640 > 29 31 Ge 0.42132484528317 0.95163964226112 0.66490408496585 72.640 > 29 32 Ge 0.92132484528317 0.95163964226112 0.66490408496585 72.640 > 29 33 Se 0.44614708943858 0.59013307628419 0.02757123533875 78.960 > 33 34 Se 0.94614708943858 0.59013307628419 0.02757123533875 78.960 > 33 35 Se 0.44614708943858 0.59013307628419 0.52757123533875 78.960 > 33 36 Se 0.94614708943858 0.59013307628419 0.52757123533875 78.960 > 33 37 Se 0.05385291056142 0.09013307628419 0.22242876466125 78.960 > 37 38 Se 0.55385291056142 0.09013307628419 0.22242876466125 78.960 > 37 39 Se 0.05385291056142 0.09013307628419 0.72242876466125 78.960 > 37 40 Se 0.55385291056142 0.09013307628419 0.72242876466125 78.960 > 37 41 Se 0.05385291056142 0.40986692371581 0.47242876466125 78.960 > 41 42 Se 0.55385291056142 0.40986692371581 0.47242876466125 78.960 > 41 43 Se 0.05385291056142 0.40986692371581 0.97242876466125 78.960 > 41 44 Se 0.55385291056142 0.40986692371581 0.97242876466125 78.960 > 41 45 Se 0.44614708943858 0.90986692371581 0.27757123533875 78.960 > 45 46 Se 0.94614708943858 0.90986692371581 0.27757123533875 78.960 > 45 47 Se 0.44614708943858 0.90986692371581 0.77757123533875 78.960 > 45 48 Se 0.94614708943858 0.90986692371581 0.77757123533875 78.960 > 45 49 Se 0.46717308295054 0.79221723139966 0.13650207196434 78.960 > 49 50 Se 0.96717308295054 0.79221723139966 0.13650207196434 78.960 > 49 51 Se 0.46717308295054 0.79221723139966 0.63650207196434 78.960 > 49 52 Se 0.96717308295054 0.79221723139966 0.63650207196434 78.960 > 49 53 Se 0.46717308295054 0.70778276860034 0.38650207196434 78.960 > 53 54 Se 0.96717308295054 0.70778276860034 0.38650207196434 78.960 > 53 55 Se 0.46717308295054 0.70778276860034 0.88650207196434 78.960 > 53 56 Se 0.96717308295054 0.70778276860034 0.88650207196434 78.960 > 53 57 Se 0.03282691704946 0.29221723139966 0.11349792803566 78.960 > 57 58 Se 0.53282691704946 0.29221723139966 0.11349792803566 78.960 > 57 59 Se 0.03282691704946 0.29221723139966 0.61349792803566 78.960 > 57 60 Se 0.53282691704946 0.29221723139966 0.61349792803566 78.960 > 57 61 Se 0.03282691704946 0.20778276860034 0.36349792803566 78.960 > 61 62 Se 0.53282691704946 0.20778276860034 0.36349792803566 78.960 > 61 63 Se 0.03282691704946 0.20778276860034 0.86349792803566 78.960 > 61 64 Se 0.53282691704946 0.20778276860034 0.86349792803566 78.960 > 61 65 Se 0.12471327497210 0.55837923633087 0.22407225678491 78.960 > 65 66 Se 0.62471327497210 0.55837923633087 0.22407225678491 78.960 > 65 67 Se 0.12471327497210 0.55837923633087 0.72407225678491 78.960 > 65 68 Se 0.62471327497210 0.55837923633087 0.72407225678491 78.960 > 65 69 Se 0.37528672502790 0.05837923633087 0.02592774321509 78.960 > 69 70 Se 0.87528672502790 0.05837923633087 0.02592774321509 78.960 > 69 71 Se 0.37528672502790 0.05837923633087 0.52592774321509 78.960 > 69 72 Se 0.87528672502790 0.05837923633087 0.52592774321509 78.960 > 69 73 Se 0.37528672502790 0.44162076366913 0.27592774321509 78.960 > 73 74 Se 0.87528672502790 0.44162076366913 0.27592774321509 78.960 > 73 75 Se 0.37528672502790 0.44162076366913 0.77592774321509 78.960 > 73 76 Se 0.87528672502790 0.44162076366913 0.77592774321509 78.960 > 73 77 Se 0.12471327497210 0.94162076366913 0.47407225678491 78.960 > 77 78 Se 0.62471327497210 0.94162076366913 0.47407225678491 78.960 > 77 79 Se 0.12471327497210 0.94162076366913 0.97407225678491 78.960 > 77 80 Se 0.62471327497210 0.94162076366913 0.97407225678491 78.960 > 77 81 Se 0.34273795698068 0.49350579338522 0.11044944628389 78.960 > 81 82 Se 0.84273795698068 0.49350579338522 0.11044944628389 78.960 > 81 83 Se 0.34273795698068 0.49350579338522 0.61044944628389 78.960 > 81 84 Se 0.84273795698068 0.49350579338522 0.61044944628389 78.960 > 81 85 Se 0.15726204301932 0.99350579338522 0.13955055371611 78.960 > 85 86 Se 0.65726204301932 0.99350579338522 0.13955055371611 78.960 > 85 87 Se 0.15726204301932 0.99350579338522 0.63955055371611 78.960 > 85 88 Se 0.65726204301932 0.99350579338522 0.63955055371611 78.960 > 85 89 Se 0.15726204301932 0.50649420661478 0.38955055371611 78.960 > 89 90 Se 0.65726204301932 0.50649420661478 0.38955055371611 78.960 > 89 91 Se 0.15726204301932 0.50649420661478 0.88955055371611 78.960 > 89 92 Se 0.65726204301932 0.50649420661478 0.88955055371611 78.960 > 89 93 Se 0.34273795698068 0.00649420661478 0.36044944628389 78.960 > 93 94 Se 0.84273795698068 0.00649420661478 0.36044944628389 78.960 > 93 95 Se 0.34273795698068 0.00649420661478 0.86044944628389 78.960 > 93 96 Se 0.84273795698068 0.00649420661478 0.86044944628389 78.960 > 93 97 Se 0.23863156417958 0.78335798779796 0.39552487103349 78.960 > 97 98 Se 0.73863156417958 0.78335798779796 0.39552487103349 78.960 > 97 99 Se 0.23863156417958 0.78335798779796 0.89552487103349 78.960 > 97 100 Se 0.73863156417958 0.78335798779796 0.89552487103349 78.960 > 97 101 Se 0.26136843582042 0.28335798779796 0.35447512896651 78.960 > 101 102 Se 0.76136843582042 0.28335798779796 0.35447512896651 78.960 > 101 103 Se 0.26136843582042 0.28335798779796 0.85447512896651 78.960 > 101 104 Se 0.76136843582042 0.28335798779796 0.85447512896651 78.960 > 101 105 Se 0.26136843582042 0.21664201220204 0.10447512896651 78.960 > 105 106 Se 0.76136843582042 0.21664201220204 0.10447512896651 78.960 > 105 107 Se 0.26136843582042 0.21664201220204 0.60447512896651 78.960 > 105 108 Se 0.76136843582042 0.21664201220204 0.60447512896651 78.960 > 105 109 Se 0.23863156417958 0.71664201220204 0.14552487103349 78.960 > 109 110 Se 0.73863156417958 0.71664201220204 0.14552487103349 78.960 > 109 111 Se 0.23863156417958 0.71664201220204 0.64552487103349 78.960 > 109 112 Se 0.73863156417958 0.71664201220204 0.64552487103349 78.960 > 109 113 Sr 0.22866286185436 0.80559247986422 0.25937402840432 87.620 > 113 114 Sr 0.72866286185436 0.80559247986422 0.25937402840432 87.620 > 113 115 Sr 0.22866286185436 0.80559247986422 0.75937402840432 87.620 > 113 116 Sr 0.72866286185436 0.80559247986422 0.75937402840432 87.620 > 113 117 Sr 0.27133713814564 0.30559247986422 0.49062597159568 87.620 > 117 118 Sr 0.77133713814564 0.30559247986422 0.49062597159568 87.620 > 117 119 Sr 0.27133713814564 0.30559247986422 0.99062597159568 87.620 > 117 120 Sr 0.77133713814564 0.30559247986422 0.99062597159568 87.620 > 117 121 Sr 0.27133713814564 0.19440752013578 0.24062597159568 87.620 > 121 122 Sr 0.77133713814564 0.19440752013578 0.24062597159568 87.620 > 121 123 Sr 0.27133713814564 0.19440752013578 0.74062597159568 87.620 > 121 124 Sr 0.77133713814564 0.19440752013578 0.74062597159568 87.620 > 121 125 Sr 0.22866286185436 0.69440752013578 0.00937402840432 87.620 > 125 126 Sr 0.72866286185436 0.69440752013578 0.00937402840432 87.620 > 125 127 Sr 0.22866286185436 0.69440752013578 0.50937402840432 87.620 > 125 128 Sr 0.72866286185436 0.69440752013578 0.50937402840432 87.620 > 125 129 Sr 0.49165558228573 0.66340712212499 0.26273347722327 87.620 > 129 130 Sr 0.99165558228573 0.66340712212499 0.26273347722327 87.620 > 129 131 Sr 0.49165558228573 0.66340712212499 0.76273347722327 87.620 > 129 132 Sr 0.99165558228573 0.66340712212499 0.76273347722327 87.620 > 129 133 Sr 0.00834441771427 0.16340712212499 0.48726652277673 87.620 > 133 134 Sr 0.50834441771427 0.16340712212499 0.48726652277673 87.620 > 133 135 Sr 0.00834441771427 0.16340712212499 0.98726652277673 87.620 > 133 136 Sr 0.50834441771427 0.16340712212499 0.98726652277673 87.620 > 133 137 Sr 0.00834441771427 0.33659287787501 0.23726652277673 87.620 > 137 138 Sr 0.50834441771427 0.33659287787501 0.23726652277673 87.620 > 137 139 Sr 0.00834441771427 0.33659287787501 0.73726652277673 87.620 > 137 140 Sr 0.50834441771427 0.33659287787501 0.73726652277673 87.620 > 137 141 Sr 0.49165558228573 0.83659287787501 0.01273347722327 87.620 > 141 142 Sr 0.99165558228573 0.83659287787501 0.01273347722327 87.620 > 141 143 Sr 0.49165558228573 0.83659287787501 0.51273347722327 87.620 > 141 144 Sr 0.99165558228573 0.83659287787501 0.51273347722327 87.620 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.4887141 0.0000000 -0.1027124 0.0000000 8.7318145 0.0000000 -0.1028591 0.0000000 9.0181891 -------------------------- Born effective charges -------------------------- 1 Ge 2.4498676 -0.1954697 -0.1191428 0.1744728 2.1662419 0.4141157 0.0847783 0.3219034 2.2967096 2 Ge 2.4498676 -0.1954697 -0.1191428 0.1744728 2.1662419 0.4141157 0.0847783 0.3219034 2.2967096 3 Ge 2.4498676 0.1954697 -0.1191428 -0.1744728 2.1662419 -0.4141157 0.0847783 -0.3219034 2.2967096 4 Ge 2.4498676 0.1954697 -0.1191428 -0.1744728 2.1662419 -0.4141157 0.0847783 -0.3219034 2.2967096 5 Ge 1.8972843 -0.1060063 -0.4207660 -0.1013047 2.2511951 -0.0847906 -1.0073212 0.0697106 3.8313057 6 Ge 1.8972843 0.1060063 -0.4207660 0.1013047 2.2511951 0.0847906 -1.0073212 -0.0697106 3.8313057 7 Ge 1.8972843 -0.1060063 -0.4207660 -0.1013047 2.2511951 -0.0847906 -1.0073212 0.0697106 3.8313057 8 Ge 1.8972843 0.1060063 -0.4207660 0.1013047 2.2511951 0.0847906 -1.0073212 -0.0697106 3.8313057 9 Se -1.7070448 0.5173677 0.1431022 0.4020034 -1.6292729 -0.1447181 0.5947528 0.1131194 -2.7721795 10 Se -1.7070448 -0.5173677 0.1431022 -0.4020034 -1.6292729 0.1447181 0.5947528 -0.1131194 -2.7721795 11 Se -1.7070448 0.5173677 0.1431022 0.4020034 -1.6292729 -0.1447181 0.5947528 0.1131194 -2.7721795 12 Se -1.7070448 -0.5173677 0.1431022 -0.4020034 -1.6292729 0.1447181 0.5947528 -0.1131194 -2.7721795 13 Se -2.1459943 0.2137173 -0.0610377 0.2730417 -1.8314937 -0.0267575 -0.0948588 0.1863431 -1.7057706 14 Se -2.1459943 -0.2137173 -0.0610377 -0.2730417 -1.8314937 0.0267575 -0.0948588 -0.1863431 -1.7057706 15 Se -2.1459943 -0.2137173 -0.0610377 -0.2730417 -1.8314937 0.0267575 -0.0948588 -0.1863431 -1.7057706 16 Se -2.1459943 0.2137173 -0.0610377 0.2730417 -1.8314937 -0.0267575 -0.0948588 0.1863431 -1.7057706 17 Se -1.8112847 0.0133790 0.1434373 -0.0866532 -1.6925971 0.0778064 0.1279229 0.1951798 -2.8234178 18 Se -1.8112847 -0.0133790 0.1434373 0.0866532 -1.6925971 -0.0778064 0.1279229 -0.1951798 -2.8234178 19 Se -1.8112847 0.0133790 0.1434373 -0.0866532 -1.6925971 0.0778064 0.1279229 0.1951798 -2.8234178 20 Se -1.8112847 -0.0133790 0.1434373 0.0866532 -1.6925971 -0.0778064 0.1279229 -0.1951798 -2.8234178 21 Se -2.1440649 0.2285782 0.3408853 0.2171369 -2.1533422 -0.0955681 0.3066243 -0.1842859 -2.0552549 22 Se -2.1440649 -0.2285782 0.3408853 -0.2171369 -2.1533422 0.0955681 0.3066243 0.1842859 -2.0552549 23 Se -2.1440649 0.2285782 0.3408853 0.2171369 -2.1533422 -0.0955681 0.3066243 -0.1842859 -2.0552549 24 Se -2.1440649 -0.2285782 0.3408853 -0.2171369 -2.1533422 0.0955681 0.3066243 0.1842859 -2.0552549 25 Se -1.7452993 0.3282045 -0.0322092 0.0250551 -2.4325463 -0.0785208 0.0104221 0.2325643 -1.8967861 26 Se -1.7452993 -0.3282045 -0.0322092 -0.0250551 -2.4325463 0.0785208 0.0104221 -0.2325643 -1.8967861 27 Se -1.7452993 0.3282045 -0.0322092 0.0250551 -2.4325463 -0.0785208 0.0104221 0.2325643 -1.8967861 28 Se -1.7452993 -0.3282045 -0.0322092 -0.0250551 -2.4325463 0.0785208 0.0104221 -0.2325643 -1.8967861 29 Sr 2.5706399 0.1612316 -0.2911100 -0.2626475 2.6233805 0.2850659 -0.0906520 -0.0453443 2.7762482 30 Sr 2.5706399 -0.1612316 -0.2911100 0.2626475 2.6233805 -0.2850659 -0.0906520 0.0453443 2.7762482 31 Sr 2.5706399 0.1612316 -0.2911100 -0.2626475 2.6233805 0.2850659 -0.0906520 -0.0453443 2.7762482 32 Sr 2.5706399 -0.1612316 -0.2911100 0.2626475 2.6233805 -0.2850659 -0.0906520 0.0453443 2.7762482 33 Sr 2.6358961 -0.0574483 0.2968408 0.1743713 2.6984346 -0.0199100 0.0683315 0.0844127 2.3491454 34 Sr 2.6358961 0.0574483 0.2968408 -0.1743713 2.6984346 0.0199100 0.0683315 -0.0844127 2.3491454 35 Sr 2.6358961 -0.0574483 0.2968408 0.1743713 2.6984346 -0.0199100 0.0683315 0.0844127 2.3491454 36 Sr 2.6358961 0.0574483 0.2968408 -0.1743713 2.6984346 0.0199100 0.0683315 -0.0844127 2.3491454 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:09:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:09:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.426306910053796 0.000000000000000 0.000000000000000 b 0.000000000000000 12.196509529999998 0.000000000000000 c -7.781076398254007 0.000000000000000 9.035879085681128 Atomic positions (fractional): 1 Ge 0.48572458743095 0.02125779708509 0.18307630268930 72.640 2 Ge 0.51427541256905 0.97874220291491 0.81692369731070 72.640 3 Ge 0.48572458743095 0.47874220291491 0.68307630268930 72.640 4 Ge 0.51427541256905 0.52125779708509 0.31692369731070 72.640 5 Ge 0.84264969056633 0.54836035773888 0.82980816993171 72.640 6 Ge 0.15735030943367 0.04836035773888 0.67019183006829 72.640 7 Ge 0.15735030943367 0.45163964226112 0.17019183006829 72.640 8 Ge 0.84264969056633 0.95163964226112 0.32980816993170 72.640 9 Se 0.89229417887716 0.59013307628419 0.05514247067750 78.960 10 Se 0.10770582112284 0.09013307628419 0.44485752932250 78.960 11 Se 0.10770582112284 0.40986692371581 0.94485752932250 78.960 12 Se 0.89229417887716 0.90986692371581 0.55514247067750 78.960 13 Se 0.93434616590108 0.79221723139966 0.27300414392868 78.960 14 Se 0.93434616590108 0.70778276860034 0.77300414392868 78.960 15 Se 0.06565383409892 0.29221723139966 0.22699585607132 78.960 16 Se 0.06565383409892 0.20778276860034 0.72699585607132 78.960 17 Se 0.24942654994420 0.55837923633087 0.44814451356982 78.960 18 Se 0.75057345005580 0.05837923633087 0.05185548643018 78.960 19 Se 0.75057345005580 0.44162076366913 0.55185548643018 78.960 20 Se 0.24942654994420 0.94162076366913 0.94814451356982 78.960 21 Se 0.68547591396135 0.49350579338522 0.22089889256779 78.960 22 Se 0.31452408603865 0.99350579338522 0.27910110743221 78.960 23 Se 0.31452408603865 0.50649420661478 0.77910110743221 78.960 24 Se 0.68547591396135 0.00649420661478 0.72089889256779 78.960 25 Se 0.47726312835916 0.78335798779796 0.79104974206699 78.960 26 Se 0.52273687164084 0.28335798779796 0.70895025793301 78.960 27 Se 0.52273687164084 0.21664201220204 0.20895025793301 78.960 28 Se 0.47726312835916 0.71664201220204 0.29104974206699 78.960 29 Sr 0.45732572370872 0.80559247986422 0.51874805680864 87.620 30 Sr 0.54267427629128 0.30559247986422 0.98125194319136 87.620 31 Sr 0.54267427629128 0.19440752013578 0.48125194319136 87.620 32 Sr 0.45732572370872 0.69440752013578 0.01874805680864 87.620 33 Sr 0.98331116457145 0.66340712212499 0.52546695444654 87.620 34 Sr 0.01668883542855 0.16340712212499 0.97453304555346 87.620 35 Sr 0.01668883542855 0.33659287787501 0.47453304555346 87.620 36 Sr 0.98331116457145 0.83659287787501 0.02546695444654 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.852613820107592 0.000000000000000 0.000000000000000 b 0.000000000000000 12.196509529999998 0.000000000000000 c -15.562152796508014 0.000000000000000 18.071758171362255 Atomic positions (fractional): 1 Ge 0.24286229371548 0.02125779708509 0.09153815134465 72.640 > 1 2 Ge 0.74286229371548 0.02125779708509 0.09153815134465 72.640 > 1 3 Ge 0.24286229371548 0.02125779708509 0.59153815134465 72.640 > 1 4 Ge 0.74286229371548 0.02125779708509 0.59153815134465 72.640 > 1 5 Ge 0.25713770628452 0.97874220291491 0.40846184865535 72.640 > 5 6 Ge 0.75713770628452 0.97874220291491 0.40846184865535 72.640 > 5 7 Ge 0.25713770628452 0.97874220291491 0.90846184865535 72.640 > 5 8 Ge 0.75713770628452 0.97874220291491 0.90846184865535 72.640 > 5 9 Ge 0.24286229371548 0.47874220291491 0.34153815134465 72.640 > 9 10 Ge 0.74286229371548 0.47874220291491 0.34153815134465 72.640 > 9 11 Ge 0.24286229371548 0.47874220291491 0.84153815134465 72.640 > 9 12 Ge 0.74286229371548 0.47874220291491 0.84153815134465 72.640 > 9 13 Ge 0.25713770628452 0.52125779708509 0.15846184865535 72.640 > 13 14 Ge 0.75713770628452 0.52125779708509 0.15846184865535 72.640 > 13 15 Ge 0.25713770628452 0.52125779708509 0.65846184865535 72.640 > 13 16 Ge 0.75713770628452 0.52125779708509 0.65846184865535 72.640 > 13 17 Ge 0.42132484528317 0.54836035773888 0.41490408496585 72.640 > 17 18 Ge 0.92132484528317 0.54836035773888 0.41490408496585 72.640 > 17 19 Ge 0.42132484528317 0.54836035773888 0.91490408496585 72.640 > 17 20 Ge 0.92132484528317 0.54836035773888 0.91490408496585 72.640 > 17 21 Ge 0.07867515471683 0.04836035773888 0.33509591503415 72.640 > 21 22 Ge 0.57867515471683 0.04836035773888 0.33509591503415 72.640 > 21 23 Ge 0.07867515471683 0.04836035773888 0.83509591503415 72.640 > 21 24 Ge 0.57867515471683 0.04836035773888 0.83509591503415 72.640 > 21 25 Ge 0.07867515471683 0.45163964226112 0.08509591503415 72.640 > 25 26 Ge 0.57867515471683 0.45163964226112 0.08509591503415 72.640 > 25 27 Ge 0.07867515471683 0.45163964226112 0.58509591503415 72.640 > 25 28 Ge 0.57867515471683 0.45163964226112 0.58509591503415 72.640 > 25 29 Ge 0.42132484528317 0.95163964226112 0.16490408496585 72.640 > 29 30 Ge 0.92132484528317 0.95163964226112 0.16490408496585 72.640 > 29 31 Ge 0.42132484528317 0.95163964226112 0.66490408496585 72.640 > 29 32 Ge 0.92132484528317 0.95163964226112 0.66490408496585 72.640 > 29 33 Se 0.44614708943858 0.59013307628419 0.02757123533875 78.960 > 33 34 Se 0.94614708943858 0.59013307628419 0.02757123533875 78.960 > 33 35 Se 0.44614708943858 0.59013307628419 0.52757123533875 78.960 > 33 36 Se 0.94614708943858 0.59013307628419 0.52757123533875 78.960 > 33 37 Se 0.05385291056142 0.09013307628419 0.22242876466125 78.960 > 37 38 Se 0.55385291056142 0.09013307628419 0.22242876466125 78.960 > 37 39 Se 0.05385291056142 0.09013307628419 0.72242876466125 78.960 > 37 40 Se 0.55385291056142 0.09013307628419 0.72242876466125 78.960 > 37 41 Se 0.05385291056142 0.40986692371581 0.47242876466125 78.960 > 41 42 Se 0.55385291056142 0.40986692371581 0.47242876466125 78.960 > 41 43 Se 0.05385291056142 0.40986692371581 0.97242876466125 78.960 > 41 44 Se 0.55385291056142 0.40986692371581 0.97242876466125 78.960 > 41 45 Se 0.44614708943858 0.90986692371581 0.27757123533875 78.960 > 45 46 Se 0.94614708943858 0.90986692371581 0.27757123533875 78.960 > 45 47 Se 0.44614708943858 0.90986692371581 0.77757123533875 78.960 > 45 48 Se 0.94614708943858 0.90986692371581 0.77757123533875 78.960 > 45 49 Se 0.46717308295054 0.79221723139966 0.13650207196434 78.960 > 49 50 Se 0.96717308295054 0.79221723139966 0.13650207196434 78.960 > 49 51 Se 0.46717308295054 0.79221723139966 0.63650207196434 78.960 > 49 52 Se 0.96717308295054 0.79221723139966 0.63650207196434 78.960 > 49 53 Se 0.46717308295054 0.70778276860034 0.38650207196434 78.960 > 53 54 Se 0.96717308295054 0.70778276860034 0.38650207196434 78.960 > 53 55 Se 0.46717308295054 0.70778276860034 0.88650207196434 78.960 > 53 56 Se 0.96717308295054 0.70778276860034 0.88650207196434 78.960 > 53 57 Se 0.03282691704946 0.29221723139966 0.11349792803566 78.960 > 57 58 Se 0.53282691704946 0.29221723139966 0.11349792803566 78.960 > 57 59 Se 0.03282691704946 0.29221723139966 0.61349792803566 78.960 > 57 60 Se 0.53282691704946 0.29221723139966 0.61349792803566 78.960 > 57 61 Se 0.03282691704946 0.20778276860034 0.36349792803566 78.960 > 61 62 Se 0.53282691704946 0.20778276860034 0.36349792803566 78.960 > 61 63 Se 0.03282691704946 0.20778276860034 0.86349792803566 78.960 > 61 64 Se 0.53282691704946 0.20778276860034 0.86349792803566 78.960 > 61 65 Se 0.12471327497210 0.55837923633087 0.22407225678491 78.960 > 65 66 Se 0.62471327497210 0.55837923633087 0.22407225678491 78.960 > 65 67 Se 0.12471327497210 0.55837923633087 0.72407225678491 78.960 > 65 68 Se 0.62471327497210 0.55837923633087 0.72407225678491 78.960 > 65 69 Se 0.37528672502790 0.05837923633087 0.02592774321509 78.960 > 69 70 Se 0.87528672502790 0.05837923633087 0.02592774321509 78.960 > 69 71 Se 0.37528672502790 0.05837923633087 0.52592774321509 78.960 > 69 72 Se 0.87528672502790 0.05837923633087 0.52592774321509 78.960 > 69 73 Se 0.37528672502790 0.44162076366913 0.27592774321509 78.960 > 73 74 Se 0.87528672502790 0.44162076366913 0.27592774321509 78.960 > 73 75 Se 0.37528672502790 0.44162076366913 0.77592774321509 78.960 > 73 76 Se 0.87528672502790 0.44162076366913 0.77592774321509 78.960 > 73 77 Se 0.12471327497210 0.94162076366913 0.47407225678491 78.960 > 77 78 Se 0.62471327497210 0.94162076366913 0.47407225678491 78.960 > 77 79 Se 0.12471327497210 0.94162076366913 0.97407225678491 78.960 > 77 80 Se 0.62471327497210 0.94162076366913 0.97407225678491 78.960 > 77 81 Se 0.34273795698068 0.49350579338522 0.11044944628389 78.960 > 81 82 Se 0.84273795698068 0.49350579338522 0.11044944628389 78.960 > 81 83 Se 0.34273795698068 0.49350579338522 0.61044944628389 78.960 > 81 84 Se 0.84273795698068 0.49350579338522 0.61044944628389 78.960 > 81 85 Se 0.15726204301932 0.99350579338522 0.13955055371611 78.960 > 85 86 Se 0.65726204301932 0.99350579338522 0.13955055371611 78.960 > 85 87 Se 0.15726204301932 0.99350579338522 0.63955055371611 78.960 > 85 88 Se 0.65726204301932 0.99350579338522 0.63955055371611 78.960 > 85 89 Se 0.15726204301932 0.50649420661478 0.38955055371611 78.960 > 89 90 Se 0.65726204301932 0.50649420661478 0.38955055371611 78.960 > 89 91 Se 0.15726204301932 0.50649420661478 0.88955055371611 78.960 > 89 92 Se 0.65726204301932 0.50649420661478 0.88955055371611 78.960 > 89 93 Se 0.34273795698068 0.00649420661478 0.36044944628389 78.960 > 93 94 Se 0.84273795698068 0.00649420661478 0.36044944628389 78.960 > 93 95 Se 0.34273795698068 0.00649420661478 0.86044944628389 78.960 > 93 96 Se 0.84273795698068 0.00649420661478 0.86044944628389 78.960 > 93 97 Se 0.23863156417958 0.78335798779796 0.39552487103349 78.960 > 97 98 Se 0.73863156417958 0.78335798779796 0.39552487103349 78.960 > 97 99 Se 0.23863156417958 0.78335798779796 0.89552487103349 78.960 > 97 100 Se 0.73863156417958 0.78335798779796 0.89552487103349 78.960 > 97 101 Se 0.26136843582042 0.28335798779796 0.35447512896651 78.960 > 101 102 Se 0.76136843582042 0.28335798779796 0.35447512896651 78.960 > 101 103 Se 0.26136843582042 0.28335798779796 0.85447512896651 78.960 > 101 104 Se 0.76136843582042 0.28335798779796 0.85447512896651 78.960 > 101 105 Se 0.26136843582042 0.21664201220204 0.10447512896651 78.960 > 105 106 Se 0.76136843582042 0.21664201220204 0.10447512896651 78.960 > 105 107 Se 0.26136843582042 0.21664201220204 0.60447512896651 78.960 > 105 108 Se 0.76136843582042 0.21664201220204 0.60447512896651 78.960 > 105 109 Se 0.23863156417958 0.71664201220204 0.14552487103349 78.960 > 109 110 Se 0.73863156417958 0.71664201220204 0.14552487103349 78.960 > 109 111 Se 0.23863156417958 0.71664201220204 0.64552487103349 78.960 > 109 112 Se 0.73863156417958 0.71664201220204 0.64552487103349 78.960 > 109 113 Sr 0.22866286185436 0.80559247986422 0.25937402840432 87.620 > 113 114 Sr 0.72866286185436 0.80559247986422 0.25937402840432 87.620 > 113 115 Sr 0.22866286185436 0.80559247986422 0.75937402840432 87.620 > 113 116 Sr 0.72866286185436 0.80559247986422 0.75937402840432 87.620 > 113 117 Sr 0.27133713814564 0.30559247986422 0.49062597159568 87.620 > 117 118 Sr 0.77133713814564 0.30559247986422 0.49062597159568 87.620 > 117 119 Sr 0.27133713814564 0.30559247986422 0.99062597159568 87.620 > 117 120 Sr 0.77133713814564 0.30559247986422 0.99062597159568 87.620 > 117 121 Sr 0.27133713814564 0.19440752013578 0.24062597159568 87.620 > 121 122 Sr 0.77133713814564 0.19440752013578 0.24062597159568 87.620 > 121 123 Sr 0.27133713814564 0.19440752013578 0.74062597159568 87.620 > 121 124 Sr 0.77133713814564 0.19440752013578 0.74062597159568 87.620 > 121 125 Sr 0.22866286185436 0.69440752013578 0.00937402840432 87.620 > 125 126 Sr 0.72866286185436 0.69440752013578 0.00937402840432 87.620 > 125 127 Sr 0.22866286185436 0.69440752013578 0.50937402840432 87.620 > 125 128 Sr 0.72866286185436 0.69440752013578 0.50937402840432 87.620 > 125 129 Sr 0.49165558228573 0.66340712212499 0.26273347722327 87.620 > 129 130 Sr 0.99165558228573 0.66340712212499 0.26273347722327 87.620 > 129 131 Sr 0.49165558228573 0.66340712212499 0.76273347722327 87.620 > 129 132 Sr 0.99165558228573 0.66340712212499 0.76273347722327 87.620 > 129 133 Sr 0.00834441771427 0.16340712212499 0.48726652277673 87.620 > 133 134 Sr 0.50834441771427 0.16340712212499 0.48726652277673 87.620 > 133 135 Sr 0.00834441771427 0.16340712212499 0.98726652277673 87.620 > 133 136 Sr 0.50834441771427 0.16340712212499 0.98726652277673 87.620 > 133 137 Sr 0.00834441771427 0.33659287787501 0.23726652277673 87.620 > 137 138 Sr 0.50834441771427 0.33659287787501 0.23726652277673 87.620 > 137 139 Sr 0.00834441771427 0.33659287787501 0.73726652277673 87.620 > 137 140 Sr 0.50834441771427 0.33659287787501 0.73726652277673 87.620 > 137 141 Sr 0.49165558228573 0.83659287787501 0.01273347722327 87.620 > 141 142 Sr 0.99165558228573 0.83659287787501 0.01273347722327 87.620 > 141 143 Sr 0.49165558228573 0.83659287787501 0.51273347722327 87.620 > 141 144 Sr 0.99165558228573 0.83659287787501 0.51273347722327 87.620 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.4887141 0.0000000 -0.1027124 0.0000000 8.7318145 0.0000000 -0.1028591 0.0000000 9.0181891 -------------------------- Born effective charges -------------------------- 1 Ge 2.4498676 -0.1954697 -0.1191428 0.1744728 2.1662419 0.4141157 0.0847783 0.3219034 2.2967096 2 Ge 2.4498676 -0.1954697 -0.1191428 0.1744728 2.1662419 0.4141157 0.0847783 0.3219034 2.2967096 3 Ge 2.4498676 0.1954697 -0.1191428 -0.1744728 2.1662419 -0.4141157 0.0847783 -0.3219034 2.2967096 4 Ge 2.4498676 0.1954697 -0.1191428 -0.1744728 2.1662419 -0.4141157 0.0847783 -0.3219034 2.2967096 5 Ge 1.8972843 -0.1060063 -0.4207660 -0.1013047 2.2511951 -0.0847906 -1.0073212 0.0697106 3.8313057 6 Ge 1.8972843 0.1060063 -0.4207660 0.1013047 2.2511951 0.0847906 -1.0073212 -0.0697106 3.8313057 7 Ge 1.8972843 -0.1060063 -0.4207660 -0.1013047 2.2511951 -0.0847906 -1.0073212 0.0697106 3.8313057 8 Ge 1.8972843 0.1060063 -0.4207660 0.1013047 2.2511951 0.0847906 -1.0073212 -0.0697106 3.8313057 9 Se -1.7070448 0.5173677 0.1431022 0.4020034 -1.6292729 -0.1447181 0.5947528 0.1131194 -2.7721795 10 Se -1.7070448 -0.5173677 0.1431022 -0.4020034 -1.6292729 0.1447181 0.5947528 -0.1131194 -2.7721795 11 Se -1.7070448 0.5173677 0.1431022 0.4020034 -1.6292729 -0.1447181 0.5947528 0.1131194 -2.7721795 12 Se -1.7070448 -0.5173677 0.1431022 -0.4020034 -1.6292729 0.1447181 0.5947528 -0.1131194 -2.7721795 13 Se -2.1459943 0.2137173 -0.0610377 0.2730417 -1.8314937 -0.0267575 -0.0948588 0.1863431 -1.7057706 14 Se -2.1459943 -0.2137173 -0.0610377 -0.2730417 -1.8314937 0.0267575 -0.0948588 -0.1863431 -1.7057706 15 Se -2.1459943 -0.2137173 -0.0610377 -0.2730417 -1.8314937 0.0267575 -0.0948588 -0.1863431 -1.7057706 16 Se -2.1459943 0.2137173 -0.0610377 0.2730417 -1.8314937 -0.0267575 -0.0948588 0.1863431 -1.7057706 17 Se -1.8112847 0.0133790 0.1434373 -0.0866532 -1.6925971 0.0778064 0.1279229 0.1951798 -2.8234178 18 Se -1.8112847 -0.0133790 0.1434373 0.0866532 -1.6925971 -0.0778064 0.1279229 -0.1951798 -2.8234178 19 Se -1.8112847 0.0133790 0.1434373 -0.0866532 -1.6925971 0.0778064 0.1279229 0.1951798 -2.8234178 20 Se -1.8112847 -0.0133790 0.1434373 0.0866532 -1.6925971 -0.0778064 0.1279229 -0.1951798 -2.8234178 21 Se -2.1440649 0.2285782 0.3408853 0.2171369 -2.1533422 -0.0955681 0.3066243 -0.1842859 -2.0552549 22 Se -2.1440649 -0.2285782 0.3408853 -0.2171369 -2.1533422 0.0955681 0.3066243 0.1842859 -2.0552549 23 Se -2.1440649 0.2285782 0.3408853 0.2171369 -2.1533422 -0.0955681 0.3066243 -0.1842859 -2.0552549 24 Se -2.1440649 -0.2285782 0.3408853 -0.2171369 -2.1533422 0.0955681 0.3066243 0.1842859 -2.0552549 25 Se -1.7452993 0.3282045 -0.0322092 0.0250551 -2.4325463 -0.0785208 0.0104221 0.2325643 -1.8967861 26 Se -1.7452993 -0.3282045 -0.0322092 -0.0250551 -2.4325463 0.0785208 0.0104221 -0.2325643 -1.8967861 27 Se -1.7452993 0.3282045 -0.0322092 0.0250551 -2.4325463 -0.0785208 0.0104221 0.2325643 -1.8967861 28 Se -1.7452993 -0.3282045 -0.0322092 -0.0250551 -2.4325463 0.0785208 0.0104221 -0.2325643 -1.8967861 29 Sr 2.5706399 0.1612316 -0.2911100 -0.2626475 2.6233805 0.2850659 -0.0906520 -0.0453443 2.7762482 30 Sr 2.5706399 -0.1612316 -0.2911100 0.2626475 2.6233805 -0.2850659 -0.0906520 0.0453443 2.7762482 31 Sr 2.5706399 0.1612316 -0.2911100 -0.2626475 2.6233805 0.2850659 -0.0906520 -0.0453443 2.7762482 32 Sr 2.5706399 -0.1612316 -0.2911100 0.2626475 2.6233805 -0.2850659 -0.0906520 0.0453443 2.7762482 33 Sr 2.6358961 -0.0574483 0.2968408 0.1743713 2.6984346 -0.0199100 0.0683315 0.0844127 2.3491454 34 Sr 2.6358961 0.0574483 0.2968408 -0.1743713 2.6984346 0.0199100 0.0683315 -0.0844127 2.3491454 35 Sr 2.6358961 -0.0574483 0.2968408 0.1743713 2.6984346 -0.0199100 0.0683315 0.0844127 2.3491454 36 Sr 2.6358961 0.0574483 0.2968408 -0.1743713 2.6984346 0.0199100 0.0683315 -0.0844127 2.3491454 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 4 6 ] 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: 0.43, Number of G-points: 305, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/78) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 78 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 1.128 ( 0.000 0.000 0.000) 0.000 1.135 ( 0.000 0.000 0.000) 0.000 1.327 ( 0.000 0.000 0.000) 0.000 1.404 ( 0.000 0.000 0.000) 0.000 1.437 ( 0.000 0.000 0.000) 0.000 1.576 ( 0.000 0.000 0.000) 0.000 1.578 ( 0.000 0.000 0.000) 0.000 1.637 ( 0.000 0.000 0.000) 0.000 1.655 ( 0.000 0.000 0.000) 0.000 1.710 ( 0.000 0.000 0.000) 0.000 1.752 ( 0.000 0.000 0.000) 0.000 1.771 ( 0.000 0.000 0.000) 0.000 1.795 ( 0.000 0.000 0.000) 0.000 1.817 ( 0.000 0.000 0.000) 0.000 1.990 ( 0.000 0.000 0.000) 0.000 1.997 ( 0.000 0.000 0.000) 0.000 2.042 ( 0.000 0.000 0.000) 0.000 2.092 ( 0.000 0.000 0.000) 0.000 2.156 ( 0.000 0.000 0.000) 0.000 2.160 ( 0.000 0.000 0.000) 0.000 2.163 ( 0.000 0.000 0.000) 0.000 2.178 ( 0.000 0.000 0.000) 0.000 2.264 ( 0.000 0.000 0.000) 0.000 2.275 ( 0.000 0.000 0.000) 0.000 2.372 ( 0.000 0.000 0.000) 0.000 2.407 ( 0.000 0.000 0.000) 0.000 2.420 ( 0.000 0.000 0.000) 0.000 2.438 ( 0.000 0.000 0.000) 0.000 2.473 ( 0.000 0.000 0.000) 0.000 2.500 ( 0.000 0.000 0.000) 0.000 2.516 ( 0.000 0.000 0.000) 0.000 2.532 ( 0.000 0.000 0.000) 0.000 2.583 ( 0.000 0.000 0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 2.671 ( 0.000 0.000 0.000) 0.000 2.767 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 0.000) 0.000 2.794 ( 0.000 0.000 0.000) 0.000 2.813 ( 0.000 0.000 0.000) 0.000 2.819 ( 0.000 0.000 0.000) 0.000 2.878 ( 0.000 0.000 0.000) 0.000 2.908 ( 0.000 0.000 0.000) 0.000 2.934 ( 0.000 0.000 0.000) 0.000 2.937 ( 0.000 0.000 0.000) 0.000 2.977 ( 0.000 0.000 0.000) 0.000 3.014 ( 0.000 0.000 0.000) 0.000 3.109 ( 0.000 0.000 0.000) 0.000 3.137 ( 0.000 0.000 0.000) 0.000 3.152 ( 0.000 0.000 0.000) 0.000 3.248 ( 0.000 0.000 0.000) 0.000 3.270 ( 0.000 0.000 0.000) 0.000 3.296 ( 0.000 0.000 0.000) 0.000 3.308 ( 0.000 0.000 0.000) 0.000 3.372 ( 0.000 0.000 0.000) 0.000 3.383 ( 0.000 0.000 0.000) 0.000 3.496 ( 0.000 0.000 0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 3.608 ( 0.000 0.000 0.000) 0.000 3.674 ( 0.000 0.000 0.000) 0.000 3.769 ( 0.000 0.000 0.000) 0.000 3.772 ( 0.000 0.000 0.000) 0.000 3.870 ( 0.000 0.000 0.000) 0.000 3.945 ( 0.000 0.000 0.000) 0.000 3.988 ( 0.000 0.000 0.000) 0.000 4.025 ( 0.000 0.000 0.000) 0.000 4.091 ( 0.000 0.000 0.000) 0.000 4.151 ( 0.000 0.000 0.000) 0.000 4.218 ( 0.000 0.000 0.000) 0.000 4.230 ( 0.000 0.000 0.000) 0.000 4.510 ( 0.000 0.000 0.000) 0.000 4.513 ( 0.000 0.000 0.000) 0.000 4.637 ( 0.000 0.000 0.000) 0.000 4.642 ( 0.000 0.000 0.000) 0.000 4.832 ( 0.000 0.000 0.000) 0.000 4.835 ( 0.000 0.000 0.000) 0.000 5.007 ( 0.000 0.000 0.000) 0.000 5.115 ( 0.000 0.000 0.000) 0.000 5.169 ( 0.000 0.000 0.000) 0.000 5.233 ( 0.000 0.000 0.000) 0.000 5.364 ( 0.000 0.000 0.000) 0.000 5.445 ( 0.000 0.000 0.000) 0.000 5.704 ( 0.000 0.000 0.000) 0.000 5.734 ( 0.000 0.000 0.000) 0.000 5.762 ( 0.000 0.000 0.000) 0.000 5.810 ( 0.000 0.000 0.000) 0.000 6.598 ( 0.000 0.000 0.000) 0.000 6.692 ( 0.000 0.000 0.000) 0.000 6.937 ( 0.000 0.000 0.000) 0.000 7.147 ( 0.000 0.000 0.000) 0.000 7.381 ( 0.000 0.000 0.000) 0.000 7.432 ( 0.000 0.000 0.000) 0.000 7.550 ( 0.000 0.000 0.000) 0.000 7.610 ( 0.000 0.000 0.000) 0.000 8.221 ( 0.000 0.000 0.000) 0.000 8.284 ( 0.000 0.000 0.000) 0.000 8.343 ( 0.000 0.000 0.000) 0.000 8.401 ( 0.000 0.000 0.000) 0.000 8.442 ( 0.000 0.000 0.000) 0.000 8.513 ( 0.000 0.000 0.000) 0.000 8.541 ( 0.000 0.000 0.000) 0.000 8.552 ( 0.000 0.000 0.000) 0.000 9.178 ( 0.000 0.000 0.000) 0.000 9.232 ( 0.000 0.000 0.000) 0.000 9.372 ( 0.000 0.000 0.000) 0.000 9.388 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/78) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.332 ( 15.196 0.000 7.132) 16.787 0.346 ( 10.239 0.000 14.425) 17.690 0.694 ( 25.945 0.000 21.616) 33.770 1.177 ( 1.171 0.000 4.438) 4.590 1.247 ( 7.232 0.000 6.680) 9.845 1.345 ( -1.457 0.000 3.832) 4.099 1.415 ( 2.414 0.000 -0.899) 2.576 1.425 ( -0.845 0.000 -0.866) 1.210 1.563 ( 0.559 0.000 -1.041) 1.181 1.621 ( 0.098 0.000 -3.091) 3.093 1.622 ( -2.055 0.000 -1.931) 2.819 1.664 ( -4.300 0.000 -0.712) 4.359 1.679 ( 1.577 0.000 2.776) 3.192 1.760 ( 2.224 0.000 -1.722) 2.813 1.792 ( 0.820 0.000 1.407) 1.628 1.825 ( 0.839 0.000 1.180) 1.448 1.873 ( 0.446 0.000 4.870) 4.890 1.894 ( -2.228 0.000 -5.159) 5.620 1.963 ( -4.465 0.000 -5.254) 6.895 2.029 ( -1.842 0.000 -1.731) 2.528 2.073 ( -1.647 0.000 0.255) 1.667 2.128 ( 0.546 0.000 -4.072) 4.109 2.156 ( -1.398 0.000 0.334) 1.437 2.165 ( 0.507 0.000 -0.080) 0.513 2.187 ( 0.144 0.000 0.466) 0.488 2.224 ( -4.096 0.000 -0.189) 4.101 2.270 ( -1.421 0.000 1.784) 2.280 2.329 ( -2.382 0.000 -2.688) 3.592 2.375 ( -5.000 0.000 -2.080) 5.415 2.399 ( 0.346 0.000 -2.550) 2.573 2.406 ( -2.161 0.000 0.704) 2.273 2.452 ( -1.568 0.000 -2.301) 2.784 2.471 ( -1.793 0.000 -4.382) 4.735 2.520 ( 4.351 0.000 -0.340) 4.364 2.532 ( -0.220 0.000 -0.213) 0.306 2.638 ( -4.137 0.000 1.645) 4.453 2.652 ( -0.303 0.000 0.440) 0.535 2.691 ( -3.968 0.000 -2.311) 4.592 2.724 ( 0.731 0.000 -2.570) 2.672 2.759 ( -2.049 0.000 -1.952) 2.830 2.798 ( 1.471 0.000 -0.281) 1.498 2.836 ( 1.597 0.000 -0.967) 1.867 2.859 ( -0.856 0.000 -2.924) 3.047 2.914 ( 2.352 0.000 3.524) 4.237 2.922 ( 4.481 0.000 1.502) 4.726 2.935 ( 4.543 0.000 -2.266) 5.077 2.998 ( -0.904 0.000 3.149) 3.276 3.022 ( -0.129 0.000 1.352) 1.358 3.079 ( 3.718 0.000 6.358) 7.365 3.114 ( -0.777 0.000 0.049) 0.778 3.160 ( 1.994 0.000 1.844) 2.716 3.213 ( 0.924 0.000 1.876) 2.091 3.269 ( -4.158 0.000 4.096) 5.837 3.282 ( 1.417 0.000 -2.822) 3.158 3.332 ( 2.779 0.000 0.612) 2.845 3.363 ( -2.749 0.000 1.710) 3.238 3.382 ( -0.977 0.000 1.311) 1.635 3.404 ( 1.663 0.000 2.008) 2.607 3.481 ( -0.759 0.000 -0.898) 1.176 3.538 ( 1.380 0.000 -1.860) 2.316 3.624 ( 1.584 0.000 0.570) 1.683 3.691 ( 0.973 0.000 0.522) 1.104 3.760 ( -0.759 0.000 -1.180) 1.403 3.841 ( -3.460 0.000 -0.186) 3.465 3.909 ( 0.211 0.000 -5.449) 5.453 3.925 ( -7.639 0.000 10.404) 12.908 4.006 ( -2.873 0.000 -0.136) 2.876 4.086 ( -0.162 0.000 -0.598) 0.620 4.136 ( 3.249 0.000 -6.483) 7.252 4.148 ( 1.660 0.000 -1.906) 2.528 4.193 ( -0.523 0.000 -2.084) 2.148 4.224 ( -0.861 0.000 0.225) 0.889 4.512 ( 0.193 0.000 0.386) 0.431 4.602 ( -3.307 0.000 1.258) 3.538 4.657 ( 8.474 0.000 -8.984) 12.350 4.671 ( 4.190 0.000 -3.223) 5.286 4.801 ( 2.008 0.000 -4.505) 4.932 4.871 ( -2.118 0.000 5.312) 5.719 5.049 ( -3.411 0.000 0.442) 3.440 5.161 ( -1.365 0.000 5.447) 5.616 5.169 ( -1.160 0.000 1.001) 1.532 5.228 ( 1.480 0.000 -3.095) 3.430 5.354 ( -1.071 0.000 0.132) 1.079 5.430 ( -1.815 0.000 0.144) 1.821 5.735 ( 1.371 0.000 2.143) 2.544 5.769 ( -0.354 0.000 2.140) 2.169 5.808 ( 0.176 0.000 -0.414) 0.450 5.954 ( -19.918 0.000 23.405) 30.733 6.621 ( 0.869 0.000 2.618) 2.759 6.674 ( -1.448 0.000 -0.854) 1.682 6.996 ( 4.933 0.000 -5.721) 7.554 7.113 ( -1.951 0.000 -2.831) 3.438 7.384 ( 0.774 0.000 -0.466) 0.903 7.442 ( 1.181 0.000 0.100) 1.185 7.574 ( 6.124 0.000 -8.071) 10.132 7.630 ( 2.240 0.000 0.258) 2.254 8.221 ( 0.222 0.000 -0.285) 0.361 8.292 ( 0.061 0.000 0.433) 0.437 8.340 ( -0.801 0.000 0.402) 0.896 8.394 ( -0.634 0.000 -0.562) 0.848 8.439 ( -0.106 0.000 0.027) 0.109 8.496 ( -2.530 0.000 -1.029) 2.731 8.576 ( -1.494 0.000 3.401) 3.715 8.578 ( 0.805 0.000 0.461) 0.927 9.188 ( 0.286 0.000 1.159) 1.194 9.238 ( -0.136 0.000 0.964) 0.973 9.374 ( -1.292 0.000 0.271) 1.320 9.387 ( 0.018 0.000 -0.233) 0.234 ======================= Grid point 2 (3/78) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 13.359 0.000 3.930) 13.925 0.663 ( 8.548 0.000 13.133) 15.670 1.188 ( 6.269 0.000 3.733) 7.296 1.311 ( 4.383 0.000 5.718) 7.205 1.330 ( -1.203 0.000 -2.154) 2.467 1.382 ( 6.051 0.000 10.848) 12.421 1.424 ( -2.014 0.000 0.968) 2.234 1.458 ( 2.255 0.000 1.604) 2.767 1.525 ( -5.625 0.000 -9.353) 10.915 1.577 ( -1.296 0.000 0.137) 1.304 1.606 ( -2.884 0.000 0.418) 2.914 1.636 ( 6.213 0.000 4.391) 7.608 1.710 ( 0.461 0.000 -6.399) 6.415 1.749 ( 0.061 0.000 -3.043) 3.044 1.766 ( 1.214 0.000 3.497) 3.702 1.803 ( -3.009 0.000 -0.416) 3.037 1.846 ( 0.317 0.000 2.828) 2.846 1.929 ( -0.085 0.000 -0.180) 0.199 1.929 ( 1.627 0.000 2.442) 2.934 1.977 ( 0.028 0.000 -5.511) 5.511 2.007 ( -2.385 0.000 -0.843) 2.530 2.092 ( -0.719 0.000 -0.765) 1.050 2.095 ( -3.277 0.000 -1.851) 3.763 2.172 ( -1.168 0.000 1.969) 2.289 2.179 ( 0.517 0.000 -1.270) 1.371 2.198 ( -2.933 0.000 1.851) 3.468 2.259 ( -1.024 0.000 -3.506) 3.652 2.298 ( -1.031 0.000 4.537) 4.652 2.301 ( -1.981 0.000 -0.868) 2.163 2.363 ( -0.105 0.000 -3.094) 3.096 2.377 ( -2.446 0.000 -3.821) 4.537 2.382 ( -3.087 0.000 1.893) 3.621 2.435 ( 2.882 0.000 -0.821) 2.997 2.482 ( -3.343 0.000 -2.262) 4.036 2.580 ( 3.824 0.000 -0.056) 3.825 2.590 ( -1.490 0.000 0.671) 1.634 2.656 ( 0.034 0.000 0.324) 0.326 2.667 ( -2.254 0.000 1.857) 2.920 2.697 ( -0.564 0.000 -2.824) 2.880 2.742 ( 3.120 0.000 -0.796) 3.220 2.815 ( -0.709 0.000 0.645) 0.958 2.833 ( 1.132 0.000 0.937) 1.469 2.872 ( 1.198 0.000 2.634) 2.893 2.950 ( 1.435 0.000 -2.587) 2.959 2.952 ( -0.091 0.000 0.112) 0.144 3.019 ( 4.255 0.000 2.062) 4.729 3.032 ( 2.482 0.000 0.681) 2.574 3.039 ( -0.637 0.000 1.823) 1.931 3.103 ( -1.374 0.000 0.681) 1.534 3.175 ( -2.201 0.000 -3.617) 4.234 3.183 ( 0.195 0.000 5.501) 5.505 3.228 ( -0.236 0.000 2.296) 2.308 3.246 ( -0.729 0.000 -1.083) 1.305 3.282 ( -2.812 0.000 3.904) 4.811 3.348 ( 1.094 0.000 0.209) 1.114 3.385 ( 0.028 0.000 0.248) 0.250 3.392 ( 4.185 0.000 -0.866) 4.273 3.469 ( -0.715 0.000 1.676) 1.822 3.497 ( 2.887 0.000 5.113) 5.872 3.536 ( 1.958 0.000 -2.444) 3.132 3.653 ( 0.151 0.000 0.908) 0.920 3.705 ( 1.879 0.000 -1.352) 2.314 3.719 ( -1.515 0.000 -2.314) 2.766 3.770 ( -4.391 0.000 -1.854) 4.766 3.827 ( -0.227 0.000 -6.203) 6.207 3.942 ( -3.810 0.000 -1.218) 4.000 3.946 ( -5.137 0.000 7.271) 8.903 4.065 ( -1.535 0.000 -2.115) 2.613 4.082 ( 0.510 0.000 -3.832) 3.866 4.154 ( 2.390 0.000 -2.249) 3.282 4.179 ( 1.591 0.000 -1.514) 2.196 4.221 ( -0.384 0.000 1.089) 1.154 4.529 ( 0.432 0.000 1.610) 1.667 4.576 ( -1.518 0.000 0.488) 1.595 4.660 ( 3.423 0.000 -4.485) 5.642 4.680 ( 2.745 0.000 -3.217) 4.229 4.779 ( 1.664 0.000 -3.238) 3.641 4.897 ( -3.032 0.000 4.295) 5.257 5.002 ( -1.520 0.000 -2.273) 2.734 5.153 ( -1.343 0.000 -0.595) 1.469 5.174 ( -1.243 0.000 0.151) 1.252 5.242 ( 1.363 0.000 1.644) 2.136 5.353 ( -0.649 0.000 2.022) 2.124 5.404 ( -2.110 0.000 0.417) 2.151 5.762 ( 1.316 0.000 -0.441) 1.387 5.808 ( 1.132 0.000 -1.022) 1.525 5.820 ( -0.845 0.000 5.669) 5.732 5.942 ( -9.737 0.000 9.015) 13.270 6.639 ( -1.645 0.000 -0.522) 1.725 6.687 ( 1.575 0.000 4.421) 4.693 6.993 ( 2.380 0.000 -3.332) 4.095 7.027 ( -2.821 0.000 -4.499) 5.310 7.390 ( 1.082 0.000 -0.670) 1.273 7.465 ( 1.568 0.000 0.159) 1.577 7.558 ( 1.935 0.000 -3.770) 4.237 7.674 ( 3.179 0.000 0.149) 3.182 8.221 ( 0.551 0.000 -0.559) 0.785 8.302 ( 0.871 0.000 0.041) 0.872 8.330 ( -1.158 0.000 0.388) 1.221 8.361 ( -2.404 0.000 -1.022) 2.612 8.446 ( 0.526 0.000 0.530) 0.747 8.458 ( -1.420 0.000 -0.117) 1.425 8.585 ( 0.057 0.000 -0.111) 0.125 8.596 ( 0.069 0.000 1.119) 1.121 9.211 ( 0.241 0.000 1.716) 1.733 9.249 ( -0.462 0.000 1.398) 1.472 9.353 ( -0.871 0.000 -1.060) 1.372 9.381 ( -0.160 0.000 -0.679) 0.697 ======================= Grid point 3 (4/78) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 9.764 0.000 0.230) 9.766 0.925 ( 5.858 0.000 10.712) 12.209 1.199 ( -5.125 0.000 0.913) 5.205 1.252 ( -8.740 0.000 -10.340) 13.539 1.273 ( -0.562 0.000 -4.586) 4.620 1.308 ( 2.151 0.000 -0.694) 2.260 1.342 ( -4.134 0.000 -3.073) 5.151 1.473 ( -3.135 0.000 1.475) 3.465 1.535 ( -3.735 0.000 0.270) 3.744 1.626 ( 5.041 0.000 1.028) 5.144 1.672 ( 5.317 0.000 0.758) 5.371 1.677 ( -0.650 0.000 -1.400) 1.543 1.697 ( -1.546 0.000 0.909) 1.794 1.761 ( 2.187 0.000 3.122) 3.812 1.790 ( -4.408 0.000 -5.883) 7.351 1.844 ( 4.200 0.000 1.188) 4.365 1.880 ( 2.758 0.000 6.989) 7.514 1.884 ( 1.155 0.000 1.612) 1.983 1.927 ( -0.261 0.000 -4.036) 4.044 2.003 ( 0.326 0.000 3.400) 3.416 2.029 ( 0.741 0.000 -0.882) 1.152 2.047 ( -1.543 0.000 0.233) 1.561 2.123 ( 4.090 0.000 4.126) 5.810 2.151 ( -2.475 0.000 -0.349) 2.499 2.179 ( -4.803 0.000 5.637) 7.405 2.194 ( 1.148 0.000 2.257) 2.532 2.230 ( 1.974 0.000 -2.978) 3.573 2.275 ( 2.290 0.000 -3.680) 4.334 2.316 ( 0.933 0.000 -3.671) 3.788 2.318 ( -3.220 0.000 3.068) 4.447 2.336 ( 0.005 0.000 -0.587) 0.587 2.406 ( 1.513 0.000 3.459) 3.776 2.432 ( -0.529 0.000 -0.244) 0.583 2.491 ( 4.573 0.000 0.108) 4.574 2.564 ( -4.251 0.000 -0.195) 4.255 2.624 ( -1.714 0.000 -0.094) 1.717 2.628 ( 1.889 0.000 0.799) 2.051 2.670 ( 0.968 0.000 0.868) 1.301 2.731 ( 3.107 0.000 2.533) 4.009 2.749 ( -0.333 0.000 -1.403) 1.442 2.841 ( 1.322 0.000 1.079) 1.706 2.884 ( 2.448 0.000 2.348) 3.392 2.895 ( -0.527 0.000 -1.825) 1.899 2.914 ( -2.472 0.000 -3.218) 4.057 2.955 ( 0.516 0.000 3.043) 3.086 3.042 ( -1.029 0.000 -1.086) 1.496 3.053 ( -2.740 0.000 -2.458) 3.681 3.058 ( 2.293 0.000 -1.597) 2.794 3.097 ( -3.144 0.000 1.659) 3.555 3.102 ( 3.023 0.000 0.772) 3.120 3.227 ( 0.143 0.000 -0.738) 0.752 3.232 ( -1.051 0.000 3.166) 3.336 3.250 ( 0.093 0.000 1.281) 1.284 3.293 ( -2.995 0.000 4.524) 5.426 3.356 ( 0.187 0.000 -1.619) 1.630 3.414 ( 2.635 0.000 1.029) 2.829 3.416 ( 1.477 0.000 -0.662) 1.619 3.491 ( -0.076 0.000 -0.113) 0.136 3.530 ( 1.401 0.000 -1.972) 2.419 3.569 ( -1.192 0.000 1.762) 2.128 3.641 ( -2.898 0.000 1.150) 3.117 3.668 ( 0.293 0.000 -5.269) 5.277 3.685 ( 1.040 0.000 -0.401) 1.114 3.726 ( 0.467 0.000 -1.695) 1.758 3.778 ( 0.846 0.000 -0.522) 0.994 3.877 ( -2.928 0.000 -1.064) 3.115 3.938 ( -5.065 0.000 3.048) 5.911 4.024 ( 0.361 0.000 -0.964) 1.030 4.056 ( -0.002 0.000 -1.707) 1.707 4.153 ( 1.010 0.000 -1.713) 1.989 4.191 ( 1.504 0.000 -0.609) 1.623 4.238 ( 0.595 0.000 0.901) 1.080 4.564 ( 0.305 0.000 2.651) 2.668 4.571 ( -0.044 0.000 0.356) 0.358 4.645 ( 1.479 0.000 -3.324) 3.638 4.673 ( 1.152 0.000 -2.317) 2.588 4.769 ( 1.338 0.000 -1.751) 2.203 4.890 ( -3.479 0.000 2.508) 4.289 4.949 ( -1.170 0.000 -2.431) 2.697 5.124 ( -0.595 0.000 -1.256) 1.390 5.162 ( -0.212 0.000 -0.141) 0.254 5.280 ( 0.787 0.000 1.434) 1.636 5.380 ( 0.152 0.000 2.271) 2.276 5.381 ( -1.543 0.000 0.306) 1.573 5.774 ( 0.845 0.000 -0.240) 0.878 5.818 ( 2.282 0.000 -1.394) 2.674 5.864 ( -1.136 0.000 3.389) 3.575 5.900 ( -6.538 0.000 3.773) 7.549 6.620 ( -0.817 0.000 0.465) 0.940 6.767 ( 1.401 0.000 4.084) 4.318 6.931 ( -2.164 0.000 -3.892) 4.453 6.980 ( 0.996 0.000 -2.627) 2.809 7.397 ( 0.754 0.000 -0.485) 0.896 7.488 ( 0.988 0.000 0.221) 1.013 7.539 ( 0.587 0.000 -1.919) 2.007 7.719 ( 2.445 0.000 0.028) 2.445 8.226 ( 1.103 0.000 -0.555) 1.235 8.307 ( -3.008 0.000 -0.498) 3.049 8.314 ( 0.746 0.000 -0.352) 0.825 8.321 ( -0.651 0.000 0.510) 0.827 8.446 ( -0.467 0.000 0.154) 0.492 8.464 ( 0.681 0.000 0.765) 1.025 8.581 ( -0.179 0.000 -0.267) 0.322 8.604 ( -0.025 0.000 0.147) 0.149 9.234 ( 0.075 0.000 1.371) 1.373 9.258 ( -0.587 0.000 1.157) 1.297 9.326 ( -0.466 0.000 -1.264) 1.347 9.367 ( -0.245 0.000 -0.806) 0.842 ======================= Grid point 4 (5/78) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 0.000 0.000 0.000) 0.000 1.078 ( 0.000 0.000 0.000) 0.000 1.106 ( 0.000 0.000 0.000) 0.000 1.145 ( 0.000 0.000 0.000) 0.000 1.189 ( 0.000 0.000 0.000) 0.000 1.301 ( 0.000 0.000 -0.000) 0.000 1.341 ( 0.000 0.000 0.000) 0.000 1.442 ( 0.000 0.000 0.000) 0.000 1.505 ( 0.000 0.000 0.000) 0.000 1.652 ( 0.000 0.000 0.000) 0.000 1.660 ( 0.000 0.000 -0.000) 0.000 1.675 ( -0.000 0.000 0.000) 0.000 1.732 ( -0.000 0.000 -0.000) 0.000 1.733 ( 0.000 0.000 0.000) 0.000 1.793 ( 0.000 0.000 0.000) 0.000 1.875 ( 0.000 0.000 0.000) 0.000 1.901 ( 0.000 0.000 -0.000) 0.000 1.903 ( -0.000 0.000 0.000) 0.000 1.942 ( 0.000 0.000 0.000) 0.000 2.014 ( 0.000 0.000 0.000) 0.000 2.028 ( -0.000 0.000 0.000) 0.000 2.032 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.182 ( 0.000 0.000 -0.000) 0.000 2.183 ( 0.000 0.000 -0.000) 0.000 2.223 ( -0.000 0.000 0.000) 0.000 2.255 ( -0.000 0.000 0.000) 0.000 2.274 ( 0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 0.000) 0.000 2.310 ( 0.000 0.000 0.000) 0.000 2.332 ( 0.000 0.000 0.000) 0.000 2.434 ( 0.000 0.000 -0.000) 0.000 2.471 ( -0.000 0.000 -0.000) 0.000 2.480 ( 0.000 0.000 0.000) 0.000 2.604 ( 0.000 0.000 0.000) 0.000 2.616 ( -0.000 0.000 0.000) 0.000 2.632 ( 0.000 0.000 0.000) 0.000 2.676 ( -0.000 0.000 0.000) 0.000 2.711 ( 0.000 0.000 -0.000) 0.000 2.800 ( 0.000 0.000 0.000) 0.000 2.829 ( 0.000 0.000 0.000) 0.000 2.852 ( -0.000 0.000 -0.000) 0.000 2.882 ( 0.000 0.000 0.000) 0.000 2.912 ( 0.000 0.000 0.000) 0.000 2.992 ( 0.000 0.000 0.000) 0.000 3.018 ( -0.000 0.000 0.000) 0.000 3.047 ( 0.000 0.000 0.000) 0.000 3.060 ( 0.000 0.000 0.000) 0.000 3.072 ( -0.000 0.000 0.000) 0.000 3.126 ( 0.000 0.000 0.000) 0.000 3.224 ( 0.000 0.000 -0.000) 0.000 3.245 ( -0.000 0.000 0.000) 0.000 3.262 ( 0.000 0.000 0.000) 0.000 3.304 ( 0.000 0.000 -0.000) 0.000 3.340 ( 0.000 0.000 -0.000) 0.000 3.447 ( -0.000 0.000 -0.000) 0.000 3.448 ( 0.000 0.000 0.000) 0.000 3.450 ( 0.000 0.000 0.000) 0.000 3.528 ( 0.000 0.000 0.000) 0.000 3.548 ( 0.000 0.000 0.000) 0.000 3.622 ( 0.000 0.000 0.000) 0.000 3.649 ( 0.000 0.000 0.000) 0.000 3.706 ( 0.000 0.000 -0.000) 0.000 3.707 ( 0.000 0.000 0.000) 0.000 3.811 ( 0.000 0.000 0.000) 0.000 3.831 ( 0.000 0.000 0.000) 0.000 3.911 ( 0.000 0.000 0.000) 0.000 4.034 ( 0.000 0.000 0.000) 0.000 4.037 ( 0.000 0.000 0.000) 0.000 4.148 ( 0.000 0.000 0.000) 0.000 4.199 ( 0.000 0.000 0.000) 0.000 4.250 ( 0.000 0.000 0.000) 0.000 4.576 ( 0.000 0.000 0.000) 0.000 4.590 ( 0.000 0.000 0.000) 0.000 4.630 ( 0.000 0.000 0.000) 0.000 4.664 ( 0.000 0.000 0.000) 0.000 4.770 ( 0.000 0.000 0.000) 0.000 4.876 ( -0.000 0.000 0.000) 0.000 4.921 ( 0.000 0.000 0.000) 0.000 5.111 ( 0.000 0.000 0.000) 0.000 5.160 ( 0.000 0.000 0.000) 0.000 5.296 ( -0.000 0.000 0.000) 0.000 5.370 ( 0.000 0.000 0.000) 0.000 5.399 ( 0.000 0.000 0.000) 0.000 5.779 ( 0.000 0.000 0.000) 0.000 5.834 ( 0.000 0.000 0.000) 0.000 5.865 ( 0.000 0.000 0.000) 0.000 5.876 ( 0.000 0.000 0.000) 0.000 6.619 ( 0.000 0.000 0.000) 0.000 6.810 ( 0.000 0.000 0.000) 0.000 6.886 ( 0.000 0.000 0.000) 0.000 6.966 ( 0.000 0.000 0.000) 0.000 7.400 ( 0.000 0.000 0.000) 0.000 7.497 ( 0.000 0.000 0.000) 0.000 7.530 ( 0.000 0.000 0.000) 0.000 7.739 ( 0.000 0.000 0.000) 0.000 8.236 ( 0.000 0.000 0.000) 0.000 8.275 ( -0.000 0.000 0.000) 0.000 8.316 ( 0.000 0.000 0.000) 0.000 8.321 ( 0.000 0.000 -0.000) 0.000 8.444 ( 0.000 0.000 0.000) 0.000 8.476 ( 0.000 0.000 0.000) 0.000 8.577 ( 0.000 0.000 0.000) 0.000 8.603 ( 0.000 0.000 0.000) 0.000 9.245 ( 0.000 0.000 0.000) 0.000 9.261 ( 0.000 0.000 0.000) 0.000 9.313 ( 0.000 0.000 -0.000) 0.000 9.359 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/78) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( 0.000 16.544 0.000) 16.544 0.419 ( 0.000 20.047 0.000) 20.047 0.658 ( 0.000 28.026 0.000) 28.026 0.986 ( 0.000 -8.115 0.000) 8.115 1.092 ( 0.000 -8.309 0.000) 8.309 1.366 ( 0.000 4.255 0.000) 4.255 1.417 ( 0.000 0.675 0.000) 0.675 1.474 ( 0.000 -3.137 0.000) 3.137 1.549 ( 0.000 -1.762 0.000) 1.762 1.560 ( 0.000 6.054 0.000) 6.054 1.645 ( 0.000 2.079 0.000) 2.079 1.647 ( 0.000 -1.050 0.000) 1.050 1.656 ( 0.000 -3.554 0.000) 3.554 1.727 ( 0.000 -7.207 0.000) 7.207 1.840 ( 0.000 1.982 0.000) 1.982 1.848 ( 0.000 1.638 0.000) 1.638 1.855 ( 0.000 -5.631 0.000) 5.631 1.888 ( 0.000 6.367 0.000) 6.367 1.942 ( 0.000 -4.328 0.000) 4.328 1.994 ( 0.000 -7.762 0.000) 7.762 1.998 ( 0.000 -4.253 0.000) 4.253 2.063 ( 0.000 -1.870 0.000) 1.870 2.143 ( 0.000 -0.858 0.000) 0.858 2.213 ( 0.000 1.799 0.000) 1.799 2.269 ( 0.000 -3.114 0.000) 3.114 2.300 ( 0.000 1.862 0.000) 1.862 2.324 ( 0.000 -0.208 0.000) 0.208 2.337 ( 0.000 -1.570 0.000) 1.570 2.407 ( 0.000 -0.045 0.000) 0.045 2.408 ( 0.000 0.804 0.000) 0.804 2.444 ( 0.000 -0.890 0.000) 0.890 2.463 ( 0.000 -0.090 0.000) 0.090 2.520 ( 0.000 0.676 0.000) 0.676 2.545 ( 0.000 0.827 0.000) 0.827 2.581 ( 0.000 1.590 0.000) 1.590 2.634 ( 0.000 4.387 0.000) 4.387 2.691 ( 0.000 1.565 0.000) 1.565 2.706 ( 0.000 -0.137 0.000) 0.137 2.746 ( 0.000 -2.450 0.000) 2.450 2.783 ( 0.000 -0.443 0.000) 0.443 2.785 ( 0.000 -0.796 0.000) 0.796 2.829 ( 0.000 1.347 0.000) 1.347 2.852 ( 0.000 0.508 0.000) 0.508 2.870 ( 0.000 -0.325 0.000) 0.325 2.877 ( 0.000 -2.388 0.000) 2.388 2.949 ( 0.000 -2.536 0.000) 2.536 2.956 ( 0.000 1.103 0.000) 1.103 2.989 ( 0.000 0.564 0.000) 0.564 3.044 ( 0.000 2.696 0.000) 2.696 3.099 ( 0.000 -2.092 0.000) 2.092 3.135 ( 0.000 -2.009 0.000) 2.009 3.180 ( 0.000 -4.407 0.000) 4.407 3.216 ( 0.000 5.339 0.000) 5.339 3.270 ( 0.000 -0.681 0.000) 0.681 3.326 ( 0.000 2.353 0.000) 2.353 3.348 ( 0.000 -2.574 0.000) 2.574 3.384 ( 0.000 2.075 0.000) 2.075 3.398 ( 0.000 0.232 0.000) 0.232 3.513 ( 0.000 0.208 0.000) 0.208 3.531 ( 0.000 2.804 0.000) 2.804 3.655 ( 0.000 -2.642 0.000) 2.642 3.680 ( 0.000 1.251 0.000) 1.251 3.779 ( 0.000 1.012 0.000) 1.012 3.795 ( 0.000 4.455 0.000) 4.455 3.878 ( 0.000 -0.756 0.000) 0.756 3.970 ( 0.000 0.660 0.000) 0.660 3.978 ( 0.000 0.034 0.000) 0.034 4.056 ( 0.000 -2.802 0.000) 2.802 4.060 ( 0.000 1.114 0.000) 1.114 4.122 ( 0.000 -2.575 0.000) 2.575 4.186 ( 0.000 -1.719 0.000) 1.719 4.219 ( 0.000 -0.333 0.000) 0.333 4.544 ( 0.000 3.159 0.000) 3.159 4.577 ( 0.000 4.105 0.000) 4.105 4.673 ( 0.000 2.331 0.000) 2.331 4.733 ( 0.000 -1.389 0.000) 1.389 4.820 ( 0.000 -0.536 0.000) 0.536 4.960 ( 0.000 -3.691 0.000) 3.691 5.007 ( 0.000 0.200 0.000) 0.200 5.081 ( 0.000 -2.691 0.000) 2.691 5.193 ( 0.000 1.285 0.000) 1.285 5.226 ( 0.000 -0.534 0.000) 0.534 5.386 ( 0.000 1.720 0.000) 1.720 5.440 ( 0.000 -0.539 0.000) 0.539 5.718 ( 0.000 0.258 0.000) 0.258 5.730 ( 0.000 -0.300 0.000) 0.300 5.770 ( 0.000 0.680 0.000) 0.680 5.803 ( 0.000 -0.656 0.000) 0.656 6.613 ( 0.000 1.410 0.000) 1.410 6.680 ( 0.000 -1.146 0.000) 1.146 6.968 ( 0.000 2.894 0.000) 2.894 7.134 ( 0.000 -3.616 0.000) 3.616 7.442 ( 0.000 1.346 0.000) 1.346 7.485 ( 0.000 2.590 0.000) 2.590 7.530 ( 0.000 -1.835 0.000) 1.835 7.591 ( 0.000 -1.789 0.000) 1.789 8.297 ( 0.000 1.218 0.000) 1.218 8.343 ( 0.000 -0.242 0.000) 0.242 8.409 ( 0.000 0.747 0.000) 0.747 8.435 ( 0.000 -0.486 0.000) 0.486 8.480 ( 0.000 0.680 0.000) 0.680 8.516 ( 0.000 0.280 0.000) 0.280 8.529 ( 0.000 -1.026 0.000) 1.026 8.553 ( 0.000 -1.029 0.000) 1.029 9.186 ( 0.000 0.772 0.000) 0.772 9.225 ( 0.000 -0.707 0.000) 0.707 9.378 ( 0.000 0.567 0.000) 0.567 9.408 ( 0.000 -0.563 0.000) 0.563 ======================= Grid point 10 (7/78) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 12.041 15.630 -1.148) 19.763 0.561 ( 9.098 12.809 10.952) 19.152 0.906 ( 14.797 15.641 16.020) 26.838 1.091 ( 5.209 -7.150 3.961) 9.692 1.158 ( 6.393 -7.364 5.710) 11.300 1.359 ( -1.611 2.765 1.495) 3.531 1.431 ( -0.279 2.635 1.549) 3.069 1.465 ( -0.613 -4.739 -1.689) 5.068 1.526 ( -2.589 3.234 -1.140) 4.297 1.570 ( 1.895 -0.672 -2.341) 3.086 1.609 ( -0.533 -0.481 -0.425) 0.834 1.668 ( 0.589 1.006 0.193) 1.182 1.679 ( 1.054 -4.987 -0.130) 5.099 1.721 ( 0.914 -3.004 -0.367) 3.162 1.804 ( -0.990 -1.213 -0.737) 1.731 1.857 ( -0.027 -1.147 0.039) 1.148 1.877 ( -1.733 0.328 4.077) 4.442 1.898 ( -1.672 -3.109 -1.486) 3.830 1.914 ( -0.821 3.215 -0.532) 3.361 1.971 ( -2.080 -3.981 -4.658) 6.471 1.988 ( 1.884 -2.807 2.841) 4.416 2.087 ( 1.275 -2.147 -0.276) 2.512 2.147 ( -1.154 -0.712 2.273) 2.647 2.183 ( -4.011 0.809 -1.187) 4.261 2.222 ( -3.963 -0.314 -2.927) 4.937 2.253 ( -2.626 -2.101 0.400) 3.387 2.264 ( -2.504 2.447 -0.193) 3.506 2.319 ( -0.838 -1.688 -1.677) 2.523 2.372 ( -1.606 -0.828 -3.321) 3.781 2.400 ( -0.300 0.711 -1.882) 2.034 2.426 ( -0.924 2.885 -3.813) 4.869 2.443 ( -2.223 -1.725 -2.025) 3.467 2.477 ( 1.400 -0.236 -0.223) 1.437 2.526 ( -3.093 2.687 -1.778) 4.466 2.610 ( -2.792 2.759 -3.167) 5.043 2.615 ( 2.258 -2.930 0.835) 3.792 2.640 ( -1.963 -0.350 -0.480) 2.051 2.699 ( -4.522 2.116 -1.465) 5.203 2.709 ( -2.609 0.837 1.669) 3.208 2.749 ( -1.611 -0.272 -3.160) 3.557 2.798 ( 0.691 -2.297 -1.028) 2.610 2.810 ( -0.052 -0.514 2.813) 2.861 2.846 ( 1.564 -2.168 3.224) 4.188 2.879 ( 3.651 0.789 -1.060) 3.883 2.923 ( 3.988 -0.077 -0.773) 4.063 2.957 ( -0.011 0.597 -0.677) 0.903 2.984 ( 0.493 -1.439 1.892) 2.427 3.037 ( 3.158 -0.103 2.230) 3.867 3.066 ( -0.372 -0.346 2.138) 2.197 3.103 ( 1.055 0.661 1.927) 2.294 3.173 ( 2.734 -0.811 1.094) 3.055 3.196 ( -0.175 -2.280 1.318) 2.639 3.227 ( 1.346 0.884 1.889) 2.482 3.319 ( 0.463 0.296 2.190) 2.258 3.334 ( 1.110 2.561 -0.653) 2.867 3.376 ( -0.201 0.410 2.709) 2.747 3.397 ( 0.380 -1.803 0.649) 1.954 3.413 ( -1.559 1.025 2.698) 3.280 3.497 ( 0.287 1.620 -0.462) 1.709 3.556 ( 1.707 2.767 -0.309) 3.266 3.623 ( -0.040 -1.961 -1.805) 2.665 3.726 ( -0.481 2.260 2.063) 3.097 3.765 ( 1.050 1.234 -3.065) 3.467 3.837 ( -0.082 -3.887 0.683) 3.947 3.859 ( -1.792 1.681 1.042) 2.669 3.959 ( -0.773 2.346 -0.912) 2.633 3.996 ( 1.756 -3.470 -0.956) 4.005 4.044 ( -1.004 -1.014 0.076) 1.428 4.076 ( -0.069 0.055 0.662) 0.668 4.109 ( 1.093 -2.215 -1.996) 3.176 4.198 ( -0.812 0.078 -1.419) 1.636 4.216 ( 2.712 -3.488 0.032) 4.418 4.523 ( -1.178 3.066 -0.780) 3.375 4.597 ( 1.901 1.314 -0.636) 2.397 4.659 ( -0.931 1.970 -0.922) 2.366 4.711 ( 0.457 -0.814 -2.948) 3.092 4.806 ( 0.027 0.341 -1.844) 1.875 4.910 ( -0.619 0.628 -1.169) 1.464 5.026 ( -0.995 -0.913 1.325) 1.892 5.112 ( 0.062 -3.107 2.590) 4.045 5.194 ( -1.293 1.057 2.000) 2.606 5.224 ( 0.669 -0.400 -1.201) 1.431 5.372 ( -0.991 1.506 -0.628) 1.909 5.424 ( -1.696 -0.616 -0.114) 1.808 5.747 ( 1.254 1.057 2.627) 3.097 5.772 ( -0.093 0.218 1.915) 1.929 5.801 ( -0.222 -0.654 0.483) 0.843 5.844 ( -3.897 -4.814 12.960) 14.364 6.628 ( 0.726 0.767 1.633) 1.945 6.667 ( -1.099 -0.670 -0.445) 1.362 6.979 ( 2.212 1.127 -1.695) 3.006 7.098 ( -1.906 -2.481 -2.801) 4.199 7.436 ( -0.231 2.510 -0.762) 2.633 7.475 ( 0.422 3.092 0.005) 3.120 7.541 ( 3.359 -2.276 -3.402) 5.295 7.606 ( 2.022 -2.220 -0.097) 3.005 8.297 ( 0.280 1.457 -0.526) 1.574 8.337 ( -1.214 1.061 -0.416) 1.665 8.365 ( -2.396 4.170 -3.099) 5.721 8.402 ( -0.441 0.728 -0.575) 1.027 8.438 ( -1.026 0.461 -0.777) 1.367 8.489 ( -2.365 -0.645 -0.976) 2.638 8.552 ( 0.285 -1.331 2.232) 2.614 8.569 ( 0.305 -1.175 0.767) 1.436 9.196 ( 0.259 0.709 1.083) 1.320 9.230 ( -0.103 -0.655 0.970) 1.175 9.375 ( -0.387 0.356 -0.270) 0.591 9.394 ( -0.682 -0.020 -0.570) 0.889 ======================= Grid point 11 (8/78) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 13.175 8.805 0.155) 15.847 0.814 ( 6.011 11.007 10.693) 16.481 1.150 ( 1.269 -5.558 -0.052) 5.701 1.283 ( 7.081 -1.101 2.456) 7.575 1.317 ( 3.519 -7.052 2.422) 8.245 1.394 ( -0.009 1.374 -1.730) 2.209 1.440 ( -1.381 0.743 0.518) 1.652 1.469 ( -4.757 0.645 -0.474) 4.824 1.484 ( 8.586 3.720 11.726) 15.002 1.508 ( -1.883 -2.356 -2.817) 4.127 1.610 ( -2.035 -2.530 0.774) 3.338 1.670 ( -0.837 1.892 0.026) 2.069 1.703 ( 1.396 -3.083 -5.763) 6.684 1.727 ( 4.195 3.318 -0.912) 5.426 1.779 ( -1.570 1.972 1.033) 2.724 1.839 ( -0.547 -0.800 2.114) 2.325 1.875 ( -1.336 -2.338 -1.013) 2.877 1.889 ( 0.783 0.808 -0.154) 1.135 1.902 ( 0.540 -3.081 1.092) 3.313 1.950 ( -1.043 0.010 0.089) 1.047 2.013 ( -5.022 0.481 -0.835) 5.114 2.025 ( -0.032 -3.177 -0.269) 3.188 2.105 ( -2.635 -1.816 -2.040) 3.795 2.136 ( -1.839 -1.723 0.458) 2.562 2.177 ( -1.021 0.822 1.137) 1.735 2.227 ( -4.028 -1.603 1.298) 4.525 2.245 ( -0.516 0.479 0.754) 1.032 2.299 ( 0.657 -1.463 0.996) 1.888 2.319 ( -1.734 1.887 -3.099) 4.022 2.345 ( 0.978 -1.542 -1.923) 2.651 2.392 ( -0.202 2.982 0.568) 3.042 2.416 ( -0.413 1.954 -1.879) 2.742 2.444 ( -0.909 0.976 -1.595) 2.079 2.488 ( -2.277 -0.386 -0.973) 2.506 2.560 ( 0.869 -1.687 -0.355) 1.931 2.607 ( -1.855 -1.464 1.252) 2.675 2.629 ( 0.461 -0.374 0.257) 0.647 2.666 ( -2.283 1.542 1.286) 3.040 2.712 ( 1.942 0.089 -1.095) 2.231 2.735 ( 3.208 1.240 -0.082) 3.440 2.782 ( 0.435 -2.485 -1.482) 2.926 2.849 ( -0.126 0.610 3.334) 3.392 2.882 ( -0.639 -1.094 0.128) 1.273 2.908 ( 0.279 -0.145 1.337) 1.374 2.959 ( 2.051 0.420 -1.613) 2.643 2.974 ( 1.135 -2.236 2.408) 3.477 3.027 ( 1.835 -0.917 1.014) 2.288 3.076 ( -0.482 -1.331 0.318) 1.451 3.090 ( 1.533 1.477 1.347) 2.519 3.134 ( -0.273 -1.168 0.505) 1.301 3.182 ( -1.239 -0.124 -1.138) 1.687 3.229 ( 1.782 -1.220 1.366) 2.556 3.266 ( 0.632 2.220 0.675) 2.405 3.331 ( -1.880 1.165 0.514) 2.270 3.349 ( -1.641 3.468 3.395) 5.123 3.392 ( -0.361 -0.884 0.279) 0.994 3.426 ( 2.141 0.419 1.045) 2.420 3.444 ( 2.280 -1.761 3.580) 4.595 3.510 ( 0.466 2.477 0.101) 2.522 3.562 ( 1.443 2.429 -1.301) 3.111 3.613 ( 0.002 -3.621 -0.625) 3.675 3.706 ( -1.890 0.126 -1.721) 2.559 3.742 ( 0.239 2.390 -1.940) 3.088 3.797 ( 0.013 -2.332 -4.892) 5.419 3.832 ( -2.574 3.891 -0.300) 4.675 3.933 ( -2.062 2.008 -0.134) 2.881 3.989 ( -1.899 -0.888 0.582) 2.175 4.043 ( 0.224 -1.288 0.158) 1.317 4.051 ( 0.194 -0.805 -2.630) 2.758 4.124 ( 1.202 0.223 0.559) 1.344 4.184 ( 0.623 0.426 -0.199) 0.781 4.240 ( 1.650 -2.465 -1.353) 3.260 4.501 ( -0.737 0.333 -0.190) 0.831 4.600 ( 0.409 -0.574 -1.624) 1.770 4.638 ( 0.258 0.553 -1.153) 1.305 4.682 ( 0.284 -0.991 -2.387) 2.600 4.791 ( 1.046 1.550 -1.753) 2.563 4.899 ( -2.407 -0.817 2.007) 3.239 5.015 ( -0.623 1.456 -1.318) 2.060 5.116 ( -1.001 -2.535 -0.442) 2.761 5.198 ( -0.751 1.366 0.661) 1.693 5.238 ( 1.132 -0.427 1.442) 1.882 5.358 ( -0.796 0.629 1.108) 1.502 5.397 ( -1.784 -0.649 0.159) 1.906 5.771 ( 1.136 0.803 -0.568) 1.502 5.803 ( 0.945 -0.424 -0.740) 1.273 5.826 ( -0.807 0.613 5.653) 5.743 5.903 ( -6.047 -2.971 8.125) 10.555 6.645 ( -1.155 0.561 0.072) 1.286 6.677 ( 1.279 -0.786 3.401) 3.717 6.979 ( 1.312 -0.330 -2.429) 2.780 7.019 ( -2.359 -1.054 -4.135) 4.876 7.426 ( 0.634 2.805 -1.046) 3.060 7.495 ( 1.424 2.720 0.382) 3.094 7.537 ( 1.869 -1.775 -3.072) 4.010 7.644 ( 2.861 -2.832 0.011) 4.026 8.280 ( -0.288 3.793 -1.577) 4.118 8.317 ( 0.176 1.804 -0.054) 1.813 8.332 ( -1.286 0.103 -0.268) 1.318 8.378 ( -2.000 1.624 -0.507) 2.625 8.426 ( 0.487 -1.510 -0.319) 1.619 8.453 ( -1.443 -0.800 0.027) 1.650 8.574 ( 0.193 -0.952 0.390) 1.047 8.580 ( 0.098 -1.252 0.811) 1.494 9.217 ( 0.097 0.476 1.542) 1.617 9.243 ( -0.378 -0.578 1.358) 1.523 9.358 ( -0.649 0.488 -1.018) 1.303 9.379 ( -0.295 -0.236 -0.806) 0.890 ======================= Grid point 12 (9/78) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 9.491 4.340 -1.651) 10.566 0.999 ( 4.221 5.346 5.765) 8.924 1.135 ( -0.805 -3.914 -0.559) 4.035 1.243 ( -3.358 1.446 -2.741) 4.569 1.286 ( -5.179 -1.001 -5.584) 7.682 1.365 ( -2.503 2.342 -3.618) 4.984 1.387 ( -3.020 5.238 1.946) 6.352 1.469 ( 3.741 -3.685 2.058) 5.640 1.507 ( -0.918 -2.544 1.216) 2.965 1.566 ( 1.625 -1.474 -0.931) 2.383 1.643 ( -2.075 -1.575 1.053) 2.810 1.659 ( 2.109 -1.660 -1.321) 2.991 1.704 ( -2.131 -0.557 -3.318) 3.983 1.769 ( 1.736 -3.558 -3.551) 5.318 1.778 ( 0.026 -0.082 2.036) 2.038 1.819 ( -1.215 0.822 1.603) 2.173 1.848 ( 0.298 -4.354 -2.373) 4.967 1.875 ( 1.216 3.094 1.529) 3.659 1.916 ( -0.152 0.055 0.524) 0.549 1.954 ( -1.434 -2.969 0.632) 3.358 2.025 ( -0.856 -3.352 2.351) 4.182 2.042 ( 1.199 -2.584 3.239) 4.314 2.091 ( 2.023 -0.636 2.354) 3.168 2.144 ( -2.499 3.964 2.583) 5.350 2.171 ( -0.973 -1.012 -1.177) 1.832 2.196 ( 1.663 -0.574 3.369) 3.800 2.224 ( -0.426 -2.864 -1.523) 3.272 2.280 ( -0.622 -1.939 -0.389) 2.074 2.317 ( -0.153 4.602 -1.783) 4.937 2.386 ( 1.599 5.502 -2.321) 6.182 2.404 ( 2.593 3.940 3.751) 6.027 2.427 ( -0.029 0.226 1.830) 1.844 2.442 ( 1.484 2.421 3.253) 4.318 2.490 ( 3.652 -0.737 0.648) 3.781 2.532 ( -2.773 -3.252 -0.329) 4.287 2.624 ( -0.310 -1.337 0.768) 1.573 2.639 ( -0.399 1.937 1.580) 2.531 2.699 ( 2.574 1.368 2.059) 3.569 2.729 ( 2.335 -0.012 -0.495) 2.387 2.762 ( -0.050 -0.894 -0.857) 1.240 2.811 ( 3.646 -2.223 -0.093) 4.271 2.851 ( -2.084 0.213 -0.977) 2.312 2.891 ( 0.403 1.200 2.488) 2.792 2.933 ( 0.752 -1.569 1.153) 2.087 2.942 ( -1.930 -0.334 0.032) 1.959 3.022 ( -0.504 -1.738 1.729) 2.503 3.044 ( -0.430 -0.335 -0.525) 0.757 3.046 ( -0.820 -0.389 -2.140) 2.325 3.084 ( -0.889 -0.009 -2.146) 2.323 3.132 ( 2.382 0.234 0.197) 2.401 3.176 ( -0.368 -1.092 0.880) 1.450 3.250 ( 0.405 0.025 -0.214) 0.459 3.270 ( -0.523 2.613 0.152) 2.670 3.293 ( -2.159 -0.823 -0.947) 2.496 3.370 ( -2.142 1.508 3.847) 4.654 3.401 ( 0.897 -2.260 0.553) 2.494 3.457 ( 1.608 0.923 -1.736) 2.540 3.491 ( -0.496 4.328 -0.391) 4.374 3.523 ( 0.640 -1.875 1.550) 2.515 3.580 ( -1.622 0.100 1.310) 2.087 3.594 ( 0.551 -4.070 0.438) 4.130 3.655 ( -0.175 -0.677 -3.088) 3.166 3.706 ( 0.766 2.460 -4.214) 4.939 3.749 ( -0.523 -1.017 -1.560) 1.935 3.814 ( 0.414 4.267 0.602) 4.329 3.894 ( -2.181 2.273 -0.557) 3.199 3.951 ( -3.041 0.017 -0.388) 3.066 4.032 ( -0.189 -0.492 0.348) 0.632 4.060 ( 1.756 2.036 -0.974) 2.859 4.144 ( 0.433 0.529 0.309) 0.750 4.202 ( 0.849 0.278 0.902) 1.269 4.240 ( 0.976 -1.174 -1.447) 2.104 4.499 ( -0.177 -2.716 0.983) 2.894 4.575 ( 0.119 -2.700 -2.700) 3.820 4.635 ( 0.240 0.318 -0.000) 0.398 4.664 ( 0.582 -0.699 -1.347) 1.625 4.787 ( 0.589 1.800 -0.844) 2.074 4.882 ( -2.704 -1.147 1.440) 3.271 4.979 ( -0.872 2.599 -1.865) 3.316 5.092 ( -0.521 -2.295 -0.986) 2.552 5.195 ( -0.046 2.362 -0.106) 2.365 5.272 ( 0.656 -0.830 1.316) 1.688 5.375 ( -0.202 -0.311 1.737) 1.776 5.379 ( -0.813 -0.269 0.346) 0.923 5.778 ( 0.669 0.489 -0.344) 0.897 5.811 ( 1.725 -0.599 -1.069) 2.116 5.869 ( -1.185 0.353 3.229) 3.458 5.891 ( -5.000 -0.736 3.653) 6.236 6.639 ( -0.510 1.799 0.893) 2.073 6.742 ( 1.132 -2.251 3.347) 4.190 6.932 ( -1.768 0.162 -3.463) 3.891 6.963 ( 0.461 -1.252 -2.400) 2.746 7.425 ( 0.588 2.404 -0.682) 2.568 7.517 ( -0.180 1.446 1.107) 1.830 7.526 ( 1.908 0.054 -2.555) 3.189 7.683 ( 2.159 -3.296 0.010) 3.940 8.266 ( 0.603 3.180 -0.989) 3.384 8.307 ( -1.452 0.248 -0.253) 1.494 8.323 ( 0.324 0.859 -0.033) 0.919 8.344 ( -1.600 1.785 -0.019) 2.397 8.432 ( 0.311 -1.341 -0.159) 1.386 8.447 ( -0.069 -1.503 0.702) 1.660 8.574 ( -0.144 -0.542 -0.068) 0.565 8.588 ( -0.051 -1.286 0.240) 1.309 9.234 ( -0.135 0.054 1.128) 1.137 9.252 ( -0.486 -0.567 0.986) 1.237 9.336 ( -0.353 0.813 -1.002) 1.338 9.364 ( -0.227 -0.312 -0.787) 0.876 ======================= Grid point 13 (10/78) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 0.000 2.785 0.000) 2.785 1.079 ( 0.000 0.393 0.000) 0.393 1.104 ( 0.000 -3.707 0.000) 3.707 1.192 ( 0.000 8.318 -0.000) 8.318 1.216 ( 0.000 -1.947 0.000) 1.947 1.297 ( 0.000 4.039 0.000) 4.039 1.400 ( 0.000 5.339 0.000) 5.339 1.488 ( 0.000 -1.115 -0.000) 1.115 1.502 ( -0.000 3.048 0.000) 3.048 1.586 ( 0.000 -3.032 0.000) 3.032 1.644 ( 0.000 -6.104 -0.000) 6.104 1.646 ( 0.000 -2.094 0.000) 2.094 1.696 ( -0.000 -0.410 0.000) 0.410 1.753 ( 0.000 -0.437 -0.000) 0.437 1.760 ( 0.000 -10.445 0.000) 10.445 1.773 ( 0.000 -4.010 0.000) 4.010 1.854 ( 0.000 2.298 0.000) 2.298 1.910 ( 0.000 -1.217 0.000) 1.217 1.920 ( -0.000 0.789 -0.000) 0.789 1.952 ( 0.000 -0.884 0.000) 0.884 2.020 ( 0.000 -2.546 -0.000) 2.546 2.100 ( 0.000 -5.259 0.000) 5.259 2.110 ( -0.000 1.442 0.000) 1.442 2.133 ( 0.000 0.773 -0.000) 0.773 2.178 ( 0.000 -0.184 -0.000) 0.184 2.185 ( 0.000 -1.995 0.000) 1.995 2.272 ( 0.000 -3.309 0.000) 3.309 2.279 ( 0.000 0.232 0.000) 0.232 2.293 ( -0.000 5.502 0.000) 5.502 2.394 ( 0.000 5.058 0.000) 5.058 2.430 ( -0.000 5.778 0.000) 5.778 2.451 ( -0.000 0.440 0.000) 0.440 2.475 ( 0.000 0.394 0.000) 0.394 2.495 ( 0.000 2.726 0.000) 2.726 2.618 ( 0.000 0.178 0.000) 0.178 2.627 ( 0.000 -2.679 0.000) 2.679 2.646 ( 0.000 1.319 0.000) 1.319 2.692 ( -0.000 1.075 -0.000) 1.075 2.747 ( -0.000 -0.592 -0.000) 0.592 2.756 ( 0.000 4.120 0.000) 4.120 2.826 ( 0.000 -1.594 0.000) 1.594 2.841 ( 0.000 -2.482 0.000) 2.482 2.890 ( -0.000 0.283 0.000) 0.283 2.898 ( 0.000 -0.760 0.000) 0.760 2.994 ( 0.000 0.224 0.000) 0.224 3.000 ( -0.000 -1.347 -0.000) 1.347 3.023 ( 0.000 0.181 -0.000) 0.181 3.044 ( -0.000 -1.173 0.000) 1.173 3.078 ( 0.000 -0.061 -0.000) 0.061 3.160 ( -0.000 2.856 0.000) 2.856 3.167 ( 0.000 -5.043 0.000) 5.043 3.255 ( -0.000 -1.155 -0.000) 1.155 3.259 ( 0.000 -1.873 0.000) 1.873 3.266 ( 0.000 3.242 0.000) 3.242 3.386 ( 0.000 0.928 -0.000) 0.928 3.409 ( 0.000 -3.686 0.000) 3.686 3.452 ( -0.000 1.796 0.000) 1.796 3.479 ( 0.000 3.057 -0.000) 3.057 3.534 ( -0.000 -1.148 0.000) 1.148 3.552 ( 0.000 0.453 -0.000) 0.453 3.631 ( -0.000 -1.317 0.000) 1.317 3.634 ( 0.000 -3.663 -0.000) 3.663 3.684 ( 0.000 3.239 0.000) 3.239 3.730 ( 0.000 0.178 -0.000) 0.178 3.844 ( 0.000 2.147 0.000) 2.147 3.859 ( 0.000 2.705 0.000) 2.705 3.919 ( 0.000 1.085 0.000) 1.085 4.035 ( 0.000 -0.608 0.000) 0.608 4.067 ( 0.000 3.554 0.000) 3.554 4.147 ( 0.000 0.467 0.000) 0.467 4.220 ( 0.000 1.112 -0.000) 1.112 4.234 ( -0.000 -1.620 0.000) 1.620 4.512 ( 0.000 -4.338 0.000) 4.338 4.550 ( 0.000 -3.326 -0.000) 3.326 4.639 ( 0.000 0.425 -0.000) 0.425 4.661 ( 0.000 -0.461 0.000) 0.461 4.786 ( 0.000 1.604 0.000) 1.604 4.868 ( 0.000 -1.031 0.000) 1.031 4.958 ( 0.000 3.092 0.000) 3.092 5.082 ( 0.000 -2.241 0.000) 2.241 5.194 ( 0.000 2.575 0.000) 2.575 5.286 ( 0.000 -1.096 0.000) 1.096 5.372 ( 0.000 0.202 0.000) 0.202 5.390 ( 0.000 -0.690 0.000) 0.690 5.781 ( 0.000 0.336 0.000) 0.336 5.821 ( 0.000 -1.132 0.000) 1.132 5.871 ( 0.000 0.480 -0.000) 0.480 5.879 ( -0.000 0.164 0.000) 0.164 6.644 ( 0.000 2.291 0.000) 2.291 6.776 ( 0.000 -2.941 0.000) 2.941 6.893 ( 0.000 0.707 0.000) 0.707 6.948 ( 0.000 -1.521 0.000) 1.521 7.425 ( 0.000 2.226 0.000) 2.226 7.516 ( 0.000 -1.363 -0.000) 1.363 7.531 ( 0.000 3.114 0.000) 3.114 7.701 ( 0.000 -3.503 0.000) 3.503 8.268 ( 0.000 2.587 0.000) 2.587 8.289 ( -0.000 1.122 0.000) 1.122 8.325 ( 0.000 0.866 0.000) 0.866 8.333 ( 0.000 1.167 0.000) 1.167 8.433 ( 0.000 -1.051 0.000) 1.051 8.454 ( 0.000 -1.958 0.000) 1.958 8.572 ( 0.000 -0.410 0.000) 0.410 8.588 ( 0.000 -1.232 0.000) 1.232 9.240 ( 0.000 -0.205 0.000) 0.205 9.254 ( 0.000 -0.612 0.000) 0.612 9.326 ( 0.000 1.019 -0.000) 1.019 9.356 ( 0.000 -0.266 0.000) 0.266 ======================= Grid point 18 (11/78) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 0.000 -14.100 0.000) 14.100 0.667 ( 0.000 14.100 0.000) 14.100 0.809 ( 0.000 -17.497 0.000) 17.497 0.809 ( 0.000 17.497 0.000) 17.497 1.269 ( 0.000 -20.610 0.000) 20.610 1.269 ( 0.000 20.610 0.000) 20.610 1.451 ( 0.000 -3.979 0.000) 3.979 1.451 ( 0.000 3.979 0.000) 3.979 1.531 ( 0.000 -7.572 0.000) 7.572 1.531 ( 0.000 7.572 0.000) 7.572 1.607 ( 0.000 -1.906 0.000) 1.906 1.607 ( 0.000 1.906 0.000) 1.906 1.698 ( 0.000 -4.669 0.000) 4.669 1.698 ( 0.000 4.669 0.000) 4.669 1.804 ( 0.000 -3.722 0.000) 3.722 1.804 ( 0.000 3.722 0.000) 3.722 1.880 ( 0.000 -1.169 0.000) 1.169 1.880 ( 0.000 1.169 0.000) 1.169 1.908 ( 0.000 -2.620 0.000) 2.620 1.908 ( 0.000 2.620 0.000) 2.620 2.028 ( 0.000 -3.196 0.000) 3.196 2.028 ( 0.000 3.196 0.000) 3.196 2.175 ( 0.000 -4.033 0.000) 4.033 2.175 ( 0.000 4.033 0.000) 4.033 2.257 ( 0.000 -3.039 0.000) 3.039 2.257 ( 0.000 3.039 0.000) 3.039 2.324 ( 0.000 -0.799 0.000) 0.799 2.324 ( 0.000 0.799 0.000) 0.799 2.398 ( 0.000 -0.544 0.000) 0.544 2.398 ( 0.000 0.544 0.000) 0.544 2.460 ( 0.000 -1.365 0.000) 1.365 2.460 ( 0.000 1.365 0.000) 1.365 2.550 ( 0.000 -0.777 0.000) 0.777 2.550 ( 0.000 0.777 0.000) 0.777 2.660 ( 0.000 -4.360 0.000) 4.360 2.660 ( 0.000 4.360 0.000) 4.360 2.700 ( 0.000 -0.273 0.000) 0.273 2.700 ( 0.000 0.273 0.000) 0.273 2.739 ( 0.000 -4.147 0.000) 4.147 2.739 ( 0.000 4.147 0.000) 4.147 2.808 ( 0.000 -2.419 0.000) 2.419 2.808 ( 0.000 2.419 0.000) 2.419 2.862 ( 0.000 -0.907 0.000) 0.907 2.862 ( 0.000 0.907 0.000) 0.907 2.890 ( 0.000 -1.929 0.000) 1.929 2.890 ( 0.000 1.929 0.000) 1.929 2.990 ( 0.000 -1.934 0.000) 1.934 2.990 ( 0.000 1.934 0.000) 1.934 3.065 ( 0.000 -1.682 0.000) 1.682 3.065 ( 0.000 1.682 0.000) 1.682 3.117 ( 0.000 -3.117 0.000) 3.117 3.117 ( 0.000 3.117 0.000) 3.117 3.290 ( 0.000 -1.797 0.000) 1.797 3.290 ( 0.000 1.797 0.000) 1.797 3.324 ( 0.000 -3.234 0.000) 3.234 3.324 ( 0.000 3.234 0.000) 3.234 3.399 ( 0.000 -0.541 0.000) 0.541 3.399 ( 0.000 0.541 0.000) 0.541 3.555 ( 0.000 -2.764 0.000) 2.764 3.555 ( 0.000 2.764 0.000) 2.764 3.642 ( 0.000 -3.179 0.000) 3.179 3.642 ( 0.000 3.179 0.000) 3.179 3.816 ( 0.000 -2.568 0.000) 2.568 3.816 ( 0.000 2.568 0.000) 2.568 3.927 ( 0.000 -5.104 0.000) 5.104 3.927 ( 0.000 5.104 0.000) 5.104 4.012 ( 0.000 -1.953 0.000) 1.953 4.012 ( 0.000 1.953 0.000) 1.953 4.069 ( 0.000 -1.483 0.000) 1.483 4.069 ( 0.000 1.483 0.000) 1.483 4.197 ( 0.000 -1.614 0.000) 1.614 4.197 ( 0.000 1.614 0.000) 1.614 4.611 ( 0.000 -1.907 0.000) 1.907 4.611 ( 0.000 1.907 0.000) 1.907 4.699 ( 0.000 -1.318 0.000) 1.318 4.699 ( 0.000 1.318 0.000) 1.318 4.867 ( 0.000 -4.674 0.000) 4.674 4.867 ( 0.000 4.674 0.000) 4.674 5.028 ( 0.000 -1.996 0.000) 1.996 5.028 ( 0.000 1.996 0.000) 1.996 5.214 ( 0.000 -0.735 0.000) 0.735 5.214 ( 0.000 0.735 0.000) 0.735 5.420 ( 0.000 -1.423 0.000) 1.423 5.420 ( 0.000 1.423 0.000) 1.423 5.724 ( 0.000 -0.327 0.000) 0.327 5.724 ( 0.000 0.327 0.000) 0.327 5.787 ( 0.000 -0.884 0.000) 0.884 5.787 ( 0.000 0.884 0.000) 0.884 6.648 ( 0.000 -1.789 0.000) 1.789 6.648 ( 0.000 1.789 0.000) 1.789 7.046 ( 0.000 -4.429 0.000) 4.429 7.046 ( 0.000 4.429 0.000) 4.429 7.484 ( 0.000 -2.445 0.000) 2.445 7.484 ( 0.000 2.445 0.000) 2.445 7.542 ( 0.000 -2.755 0.000) 2.755 7.542 ( 0.000 2.755 0.000) 2.755 8.326 ( 0.000 -1.333 0.000) 1.333 8.326 ( 0.000 1.333 0.000) 1.333 8.425 ( 0.000 -0.627 0.000) 0.627 8.425 ( 0.000 0.627 0.000) 0.627 8.501 ( 0.000 -1.305 0.000) 1.305 8.501 ( 0.000 1.305 0.000) 1.305 8.530 ( 0.000 -0.979 0.000) 0.979 8.530 ( 0.000 0.979 0.000) 0.979 9.206 ( 0.000 -1.046 0.000) 1.046 9.206 ( 0.000 1.046 0.000) 1.046 9.393 ( 0.000 -0.797 0.000) 0.797 9.393 ( 0.000 0.797 0.000) 0.797 ======================= Grid point 20 (12/78) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 9.465 -2.261 2.262) 9.991 0.794 ( 9.465 2.261 2.262) 9.991 0.887 ( 6.330 -6.285 5.717) 10.595 0.887 ( 6.330 6.285 5.717) 10.595 1.339 ( 2.861 -12.118 4.239) 13.153 1.339 ( 2.861 12.118 4.239) 13.153 1.449 ( 0.714 -6.057 0.454) 6.116 1.449 ( 0.714 6.057 0.454) 6.116 1.545 ( 0.763 -5.799 1.099) 5.952 1.545 ( 0.763 5.799 1.099) 5.952 1.577 ( -1.465 -3.039 -1.966) 3.905 1.577 ( -1.465 3.039 -1.966) 3.905 1.710 ( 0.223 -5.535 -0.750) 5.590 1.710 ( 0.223 5.535 -0.750) 5.590 1.771 ( -1.156 -4.930 1.508) 5.283 1.771 ( -1.156 4.930 1.508) 5.283 1.873 ( -1.123 -2.706 1.068) 3.119 1.873 ( -1.123 2.706 1.068) 3.119 1.930 ( 0.812 -1.074 -0.764) 1.548 1.930 ( 0.812 1.074 -0.764) 1.548 2.043 ( 0.379 -3.448 0.900) 3.583 2.043 ( 0.379 3.448 0.900) 3.583 2.174 ( -1.279 -3.891 -0.232) 4.102 2.174 ( -1.279 3.891 -0.232) 4.102 2.201 ( -5.161 -1.210 -0.803) 5.361 2.201 ( -5.161 1.210 -0.803) 5.361 2.290 ( -1.016 -1.011 -0.830) 1.656 2.290 ( -1.016 1.011 -0.830) 1.656 2.371 ( -2.154 -1.932 -4.039) 4.969 2.371 ( -2.154 1.932 -4.039) 4.969 2.448 ( 0.658 -1.566 -1.448) 2.232 2.448 ( 0.658 1.566 -1.448) 2.232 2.517 ( -0.258 -3.319 -1.531) 3.664 2.517 ( -0.258 3.319 -1.531) 3.664 2.612 ( -5.355 -1.936 -1.937) 6.015 2.612 ( -5.355 1.936 -1.937) 6.015 2.695 ( -1.619 -3.347 -1.945) 4.196 2.695 ( -1.619 3.347 -1.945) 4.196 2.732 ( 0.167 -1.629 1.310) 2.096 2.732 ( 0.167 1.629 1.310) 2.096 2.781 ( -0.976 -0.378 -0.055) 1.048 2.781 ( -0.976 0.378 -0.055) 1.048 2.866 ( 1.730 -1.860 1.502) 2.951 2.866 ( 1.730 1.860 1.502) 2.951 2.936 ( -0.762 -0.887 1.269) 1.726 2.936 ( -0.762 0.887 1.269) 1.726 2.992 ( 3.286 -2.532 0.559) 4.186 2.992 ( 3.286 2.532 0.559) 4.186 3.099 ( 2.694 -2.898 -0.008) 3.956 3.099 ( 2.694 2.898 -0.008) 3.956 3.153 ( 0.427 -2.071 3.114) 3.764 3.153 ( 0.427 2.071 3.114) 3.764 3.307 ( 0.755 -3.817 1.064) 4.034 3.307 ( 0.755 3.817 1.064) 4.034 3.348 ( 2.656 -1.468 0.048) 3.035 3.348 ( 2.656 1.468 0.048) 3.035 3.405 ( -1.876 -1.541 2.981) 3.844 3.405 ( -1.876 1.541 2.981) 3.844 3.551 ( -0.189 -2.844 -0.202) 2.858 3.551 ( -0.189 2.844 -0.202) 2.858 3.664 ( 0.879 -5.580 0.331) 5.658 3.664 ( 0.879 5.580 0.331) 5.658 3.803 ( 1.489 -1.738 -3.099) 3.852 3.803 ( 1.489 1.738 -3.099) 3.852 3.929 ( -0.881 -4.346 0.751) 4.497 3.929 ( -0.881 4.346 0.751) 4.497 4.011 ( 0.058 -2.336 -0.529) 2.396 4.011 ( 0.058 2.336 -0.529) 2.396 4.072 ( 1.251 -1.533 -0.429) 2.025 4.072 ( 1.251 1.533 -0.429) 2.025 4.189 ( -0.295 -0.835 -0.574) 1.055 4.189 ( -0.295 0.835 -0.574) 1.055 4.594 ( -1.311 -2.588 -1.066) 3.091 4.594 ( -1.311 2.588 -1.066) 3.091 4.684 ( -0.033 -1.016 -1.937) 2.187 4.684 ( -0.033 1.016 -1.937) 2.187 4.858 ( -0.786 -4.111 -0.072) 4.186 4.858 ( -0.786 4.111 -0.072) 4.186 5.049 ( 0.816 -2.626 1.393) 3.083 5.049 ( 0.816 2.626 1.393) 3.083 5.212 ( -0.535 -0.733 0.639) 1.110 5.212 ( -0.535 0.733 0.639) 1.110 5.404 ( -1.294 -1.396 -0.703) 2.029 5.404 ( -1.294 1.396 -0.703) 2.029 5.772 ( 0.760 -0.858 4.219) 4.372 5.772 ( 0.760 0.858 4.219) 4.372 5.792 ( -0.505 -0.517 2.200) 2.316 5.792 ( -0.505 0.517 2.200) 2.316 6.648 ( -0.215 -1.069 0.469) 1.187 6.648 ( -0.215 1.069 0.469) 1.187 7.032 ( -0.448 -3.430 -1.735) 3.870 7.032 ( -0.448 3.430 -1.735) 3.870 7.487 ( 0.786 -2.589 -0.625) 2.777 7.487 ( 0.786 2.589 -0.625) 2.777 7.547 ( 1.531 -3.299 -0.767) 3.717 7.547 ( 1.531 3.299 -0.767) 3.717 8.326 ( -0.222 -1.315 0.197) 1.348 8.326 ( -0.222 1.315 0.197) 1.348 8.407 ( -0.455 -0.545 -1.480) 1.642 8.407 ( -0.455 0.545 -1.480) 1.642 8.469 ( -2.578 -1.510 -1.376) 3.289 8.469 ( -2.578 1.510 -1.376) 3.289 8.543 ( 0.611 -0.768 0.976) 1.384 8.543 ( 0.611 0.768 0.976) 1.384 9.214 ( 0.086 -0.925 0.994) 1.361 9.214 ( 0.086 0.925 0.994) 1.361 9.386 ( -0.408 -0.614 -0.539) 0.913 9.386 ( -0.408 0.614 -0.539) 0.913 ======================= Grid point 22 (13/78) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 8.203 -9.869 -2.546) 13.083 0.920 ( 8.203 9.869 -2.546) 13.083 1.092 ( 5.680 -9.930 8.519) 14.263 1.092 ( 5.680 9.930 8.519) 14.263 1.337 ( -0.410 -3.606 -3.602) 5.113 1.337 ( -0.410 3.606 -3.602) 5.113 1.447 ( -2.828 -0.928 -1.521) 3.342 1.447 ( -2.828 0.928 -1.521) 3.342 1.561 ( -1.371 -5.107 1.569) 5.516 1.561 ( -1.371 5.107 1.569) 5.516 1.638 ( 4.914 -2.151 0.906) 5.440 1.638 ( 4.914 2.151 0.906) 5.440 1.716 ( 2.477 -6.932 4.013) 8.384 1.716 ( 2.477 6.932 4.013) 8.384 1.790 ( -1.572 -1.860 1.698) 2.969 1.790 ( -1.572 1.860 1.698) 2.969 1.862 ( -0.941 -1.547 -3.157) 3.640 1.862 ( -0.941 1.547 -3.157) 3.640 1.931 ( 0.873 -4.547 1.466) 4.857 1.931 ( 0.873 4.547 1.466) 4.857 2.015 ( -3.954 -1.941 -1.698) 4.721 2.015 ( -3.954 1.941 -1.698) 4.721 2.090 ( -3.623 -2.999 1.764) 5.023 2.090 ( -3.623 2.999 1.764) 5.023 2.184 ( -0.166 -1.880 0.117) 1.891 2.184 ( -0.166 1.880 0.117) 1.891 2.263 ( -1.802 -1.169 -0.862) 2.315 2.263 ( -1.802 1.169 -0.862) 2.315 2.331 ( 1.183 -1.903 0.222) 2.251 2.331 ( 1.183 1.903 0.222) 2.251 2.434 ( 0.662 -2.245 -0.578) 2.411 2.434 ( 0.662 2.245 -0.578) 2.411 2.505 ( -3.499 -3.350 -2.009) 5.244 2.505 ( -3.499 3.350 -2.009) 5.244 2.529 ( 0.367 -4.870 1.535) 5.119 2.529 ( 0.367 4.870 1.535) 5.119 2.658 ( 0.512 -2.088 -1.029) 2.383 2.658 ( 0.512 2.088 -1.029) 2.383 2.736 ( -0.019 -1.655 -1.231) 2.063 2.736 ( -0.019 1.655 -1.231) 2.063 2.799 ( 0.946 -3.799 1.780) 4.300 2.799 ( 0.946 3.799 1.780) 4.300 2.896 ( -1.219 -1.189 2.875) 3.342 2.896 ( -1.219 1.189 2.875) 3.342 2.953 ( 1.632 -0.715 0.265) 1.802 2.953 ( 1.632 0.715 0.265) 1.802 3.039 ( 1.511 -2.299 0.359) 2.775 3.039 ( 1.511 2.299 0.359) 2.775 3.122 ( 0.571 -1.099 -0.751) 1.448 3.122 ( 0.571 1.099 -0.751) 1.448 3.191 ( 1.340 -1.447 0.589) 2.058 3.191 ( 1.340 1.447 0.589) 2.058 3.328 ( -0.579 -3.408 1.561) 3.794 3.328 ( -0.579 3.408 1.561) 3.794 3.382 ( -1.612 -3.141 1.219) 3.735 3.382 ( -1.612 3.141 1.219) 3.735 3.421 ( 2.111 -1.754 1.892) 3.333 3.421 ( 2.111 1.754 1.892) 3.333 3.553 ( -0.011 -2.238 0.634) 2.326 3.553 ( -0.011 2.238 0.634) 2.326 3.645 ( -0.798 -5.036 -2.717) 5.777 3.645 ( -0.798 5.036 -2.717) 5.777 3.777 ( -0.349 -0.561 -2.813) 2.890 3.777 ( -0.349 0.561 -2.813) 2.890 3.919 ( 0.329 -4.304 -1.545) 4.585 3.919 ( 0.329 4.304 -1.545) 4.585 3.995 ( -1.237 -2.913 -0.141) 3.168 3.995 ( -1.237 2.913 -0.141) 3.168 4.105 ( 2.840 -4.464 0.500) 5.315 4.105 ( 2.840 4.464 0.500) 5.315 4.183 ( 0.027 -0.464 -0.072) 0.471 4.183 ( 0.027 0.464 -0.072) 0.471 4.551 ( -1.786 -3.335 -1.809) 4.194 4.551 ( -1.786 3.335 -1.809) 4.194 4.660 ( 0.180 -0.984 -1.751) 2.016 4.660 ( 0.180 0.984 -1.751) 2.016 4.848 ( -1.006 -3.508 0.537) 3.689 4.848 ( -1.006 3.508 0.537) 3.689 5.061 ( -0.353 -2.713 -0.495) 2.780 5.061 ( -0.353 2.713 -0.495) 2.780 5.223 ( 0.252 -1.040 1.349) 1.721 5.223 ( 0.252 1.040 1.349) 1.721 5.378 ( -1.197 -1.136 0.016) 1.650 5.378 ( -1.197 1.136 0.016) 1.650 5.790 ( 1.039 -0.875 -0.812) 1.583 5.790 ( 1.039 0.875 -0.812) 1.583 5.850 ( -2.262 -1.884 6.619) 7.244 5.850 ( -2.262 1.884 6.619) 7.244 6.660 ( 0.096 -0.824 1.553) 1.761 6.660 ( 0.096 0.824 1.553) 1.761 6.991 ( -0.854 -1.296 -2.888) 3.278 6.991 ( -0.854 1.296 -2.888) 3.278 7.486 ( 0.735 -2.783 -1.282) 3.151 7.486 ( 0.735 2.783 -1.282) 3.151 7.570 ( 2.389 -3.943 -0.361) 4.624 7.570 ( 2.389 3.943 -0.361) 4.624 8.320 ( -0.653 -1.028 -0.145) 1.226 8.320 ( -0.653 1.028 -0.145) 1.226 8.384 ( -0.203 -2.908 -1.643) 3.347 8.384 ( -0.203 2.908 -1.643) 3.347 8.421 ( -1.680 -2.229 -0.203) 2.798 8.421 ( -1.680 2.229 -0.203) 2.798 8.562 ( 0.228 -0.171 0.749) 0.802 8.562 ( 0.228 0.171 0.749) 0.802 9.229 ( -0.173 -0.693 1.343) 1.521 9.229 ( -0.173 0.693 1.343) 1.521 9.370 ( -0.418 -0.594 -0.931) 1.181 9.370 ( -0.418 0.594 -0.931) 1.181 ======================= Grid point 24 (14/78) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 5.836 -6.038 -3.787) 9.211 0.977 ( 5.836 6.038 -3.787) 9.211 1.185 ( -1.443 -7.142 -1.213) 7.387 1.185 ( -1.443 7.142 -1.213) 7.387 1.346 ( 1.955 -7.855 3.679) 8.891 1.346 ( 1.955 7.855 3.679) 8.891 1.408 ( -1.446 -1.379 2.707) 3.364 1.408 ( -1.446 1.379 2.707) 3.364 1.545 ( -2.244 -6.256 1.179) 6.750 1.545 ( -2.244 6.256 1.179) 6.750 1.611 ( 0.029 -0.867 -6.317) 6.376 1.611 ( 0.029 0.867 -6.317) 6.376 1.733 ( -0.465 -2.884 -5.118) 5.893 1.733 ( -0.465 2.884 -5.118) 5.893 1.761 ( -2.870 -1.202 -0.940) 3.250 1.761 ( -2.870 1.202 -0.940) 3.250 1.884 ( 0.167 -4.014 3.563) 5.370 1.884 ( 0.167 4.014 3.563) 5.370 1.926 ( 0.645 -1.222 0.299) 1.414 1.926 ( 0.645 1.222 0.299) 1.414 1.983 ( -0.820 -4.758 1.576) 5.079 1.983 ( -0.820 4.758 1.576) 5.079 2.131 ( -1.030 -2.578 3.423) 4.407 2.131 ( -1.030 2.578 3.423) 4.407 2.174 ( 1.118 -1.085 -0.185) 1.569 2.174 ( 1.118 1.085 -0.185) 1.569 2.243 ( -0.438 -2.631 0.648) 2.745 2.243 ( -0.438 2.631 0.648) 2.745 2.389 ( 2.247 -2.532 0.841) 3.489 2.389 ( 2.247 2.532 0.841) 3.489 2.448 ( 1.694 -1.946 -0.371) 2.607 2.448 ( 1.694 1.946 -0.371) 2.607 2.476 ( 1.079 -0.648 3.975) 4.169 2.476 ( 1.079 0.648 3.975) 4.169 2.563 ( -0.162 -5.978 1.888) 6.271 2.563 ( -0.162 5.978 1.888) 6.271 2.685 ( 1.539 -2.775 1.076) 3.351 2.685 ( 1.539 2.775 1.076) 3.351 2.720 ( 1.979 -0.567 -1.726) 2.686 2.720 ( 1.979 0.567 -1.726) 2.686 2.818 ( -1.853 -2.555 1.642) 3.558 2.818 ( -1.853 2.555 1.642) 3.558 2.921 ( -0.462 -0.138 2.023) 2.080 2.921 ( -0.462 0.138 2.023) 2.080 2.972 ( 2.118 -3.587 -1.327) 4.371 2.972 ( 2.118 3.587 -1.327) 4.371 3.052 ( 0.147 -0.171 0.388) 0.449 3.052 ( 0.147 0.171 0.388) 0.449 3.094 ( -1.460 -1.695 -2.262) 3.181 3.094 ( -1.460 1.695 -2.262) 3.181 3.209 ( 1.202 -2.838 -0.639) 3.147 3.209 ( 1.202 2.838 -0.639) 3.147 3.321 ( -1.797 -2.447 -0.433) 3.067 3.321 ( -1.797 2.447 -0.433) 3.067 3.355 ( -1.553 -3.355 0.922) 3.810 3.355 ( -1.553 3.355 0.922) 3.810 3.490 ( 1.541 -1.651 1.896) 2.948 3.490 ( 1.541 1.651 1.896) 2.948 3.553 ( -0.951 -0.904 0.824) 1.549 3.553 ( -0.951 0.904 0.824) 1.549 3.598 ( -0.212 -4.141 -2.537) 4.861 3.598 ( -0.212 4.141 -2.537) 4.861 3.736 ( -0.584 -0.554 -1.595) 1.786 3.736 ( -0.584 0.554 -1.595) 1.786 3.895 ( 0.341 -2.956 -2.693) 4.014 3.895 ( 0.341 2.956 -2.693) 4.014 3.985 ( -0.953 -3.445 0.948) 3.697 3.985 ( -0.953 3.445 0.948) 3.697 4.154 ( 2.752 -5.753 0.058) 6.378 4.154 ( 2.752 5.753 0.058) 6.378 4.184 ( -0.469 -1.779 0.731) 1.980 4.184 ( -0.469 1.779 0.731) 1.980 4.504 ( -1.249 -2.931 -1.602) 3.566 4.504 ( -1.249 2.931 -1.602) 3.566 4.648 ( 0.455 -0.788 -0.769) 1.191 4.648 ( 0.455 0.788 -0.769) 1.191 4.838 ( -1.168 -2.798 0.408) 3.059 4.838 ( -1.168 2.798 0.408) 3.059 5.038 ( -0.575 -2.889 -1.148) 3.162 5.038 ( -0.575 2.889 -1.148) 3.162 5.243 ( 0.295 -2.054 0.719) 2.196 5.243 ( 0.295 2.054 0.719) 2.196 5.373 ( -0.301 -0.196 0.767) 0.847 5.373 ( -0.301 0.196 0.767) 0.847 5.794 ( 0.791 -0.956 -0.648) 1.400 5.794 ( 0.791 0.956 -0.648) 1.400 5.877 ( -2.339 -0.534 3.352) 4.122 5.877 ( -2.339 0.534 3.352) 4.122 6.688 ( 0.323 -2.742 1.979) 3.397 6.688 ( 0.323 2.742 1.979) 3.397 6.941 ( -0.748 -0.768 -2.671) 2.878 6.941 ( -0.748 0.768 -2.671) 2.878 7.480 ( 0.405 -2.583 -0.935) 2.777 7.480 ( 0.405 2.583 -0.935) 2.777 7.600 ( 1.713 -4.382 -0.085) 4.705 7.600 ( 1.713 4.382 -0.085) 4.705 8.308 ( -0.401 -0.588 -0.353) 0.794 8.308 ( -0.401 0.588 -0.353) 0.794 8.360 ( -0.574 -1.744 -0.796) 2.001 8.360 ( -0.574 1.744 -0.796) 2.001 8.413 ( -0.087 -1.052 0.396) 1.127 8.413 ( -0.087 1.052 0.396) 1.127 8.569 ( -0.091 -0.283 0.261) 0.396 8.569 ( -0.091 0.283 0.261) 0.396 9.240 ( -0.363 -0.487 0.890) 1.078 9.240 ( -0.363 0.487 0.890) 1.078 9.353 ( -0.227 -0.747 -0.792) 1.112 9.353 ( -0.227 0.747 -0.792) 1.112 ======================= Grid point 26 (15/78) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 0.000 -4.902 0.000) 4.902 1.011 ( -0.000 4.902 0.000) 4.902 1.129 ( 0.000 -4.378 0.000) 4.378 1.129 ( 0.000 4.378 0.000) 4.378 1.374 ( 0.000 -4.239 -0.000) 4.239 1.374 ( 0.000 4.239 0.000) 4.239 1.462 ( -0.000 -0.380 0.000) 0.380 1.462 ( 0.000 0.380 0.000) 0.380 1.536 ( 0.000 -5.983 -0.000) 5.983 1.536 ( 0.000 5.983 0.000) 5.983 1.561 ( 0.000 -4.608 -0.000) 4.608 1.561 ( 0.000 4.608 0.000) 4.608 1.669 ( 0.000 -1.983 0.000) 1.983 1.669 ( 0.000 1.983 0.000) 1.983 1.729 ( 0.000 -0.279 0.000) 0.279 1.729 ( 0.000 0.279 -0.000) 0.279 1.894 ( 0.000 -1.138 0.000) 1.138 1.894 ( 0.000 1.138 0.000) 1.138 1.963 ( -0.000 -0.105 0.000) 0.105 1.963 ( 0.000 0.105 0.000) 0.105 1.979 ( 0.000 -2.736 -0.000) 2.736 1.979 ( 0.000 2.736 0.000) 2.736 2.127 ( 0.000 -0.151 -0.000) 0.151 2.127 ( 0.000 0.151 -0.000) 0.151 2.193 ( 0.000 -0.288 0.000) 0.288 2.193 ( 0.000 0.288 0.000) 0.288 2.255 ( 0.000 -2.064 0.000) 2.064 2.255 ( -0.000 2.064 0.000) 2.064 2.398 ( 0.000 -4.026 0.000) 4.026 2.398 ( 0.000 4.026 0.000) 4.026 2.461 ( 0.000 -1.297 0.000) 1.297 2.461 ( 0.000 1.297 0.000) 1.297 2.549 ( -0.000 -4.002 -0.000) 4.002 2.549 ( 0.000 4.002 0.000) 4.002 2.580 ( 0.000 -3.251 0.000) 3.251 2.580 ( 0.000 3.251 0.000) 3.251 2.685 ( 0.000 -2.763 0.000) 2.763 2.685 ( 0.000 2.763 0.000) 2.763 2.767 ( -0.000 -1.336 -0.000) 1.336 2.767 ( -0.000 1.336 0.000) 1.336 2.797 ( -0.000 -1.444 -0.000) 1.444 2.797 ( 0.000 1.444 0.000) 1.444 2.901 ( 0.000 -0.965 0.000) 0.965 2.901 ( 0.000 0.965 0.000) 0.965 3.016 ( 0.000 -0.688 0.000) 0.688 3.016 ( -0.000 0.688 -0.000) 0.688 3.033 ( -0.000 -3.261 0.000) 3.261 3.033 ( 0.000 3.261 0.000) 3.261 3.065 ( 0.000 -0.482 0.000) 0.482 3.065 ( -0.000 0.482 0.000) 0.482 3.213 ( 0.000 -2.271 0.000) 2.271 3.213 ( 0.000 2.271 0.000) 2.271 3.297 ( 0.000 -4.059 0.000) 4.059 3.297 ( 0.000 4.059 0.000) 4.059 3.354 ( 0.000 -2.921 0.000) 2.921 3.354 ( 0.000 2.921 0.000) 2.921 3.499 ( -0.000 -1.392 0.000) 1.392 3.499 ( 0.000 1.392 0.000) 1.392 3.560 ( 0.000 -1.265 0.000) 1.265 3.560 ( -0.000 1.265 0.000) 1.265 3.581 ( 0.000 -0.641 -0.000) 0.641 3.581 ( 0.000 0.641 -0.000) 0.641 3.724 ( 0.000 -0.906 0.000) 0.906 3.724 ( 0.000 0.906 0.000) 0.906 3.877 ( 0.000 -0.932 0.000) 0.932 3.877 ( 0.000 0.932 0.000) 0.932 3.985 ( 0.000 -4.006 0.000) 4.006 3.985 ( 0.000 4.006 0.000) 4.006 4.173 ( 0.000 -3.810 0.000) 3.810 4.173 ( 0.000 3.810 0.000) 3.810 4.189 ( 0.000 -0.975 -0.000) 0.975 4.189 ( 0.000 0.975 0.000) 0.975 4.483 ( 0.000 -2.148 0.000) 2.148 4.483 ( 0.000 2.148 0.000) 2.148 4.648 ( 0.000 -0.597 0.000) 0.597 4.648 ( 0.000 0.597 0.000) 0.597 4.830 ( 0.000 -2.402 0.000) 2.402 4.830 ( 0.000 2.402 0.000) 2.402 5.026 ( 0.000 -3.167 0.000) 3.167 5.026 ( 0.000 3.167 0.000) 3.167 5.249 ( 0.000 -2.467 0.000) 2.467 5.249 ( 0.000 2.467 0.000) 2.467 5.378 ( 0.000 -0.406 0.000) 0.406 5.378 ( 0.000 0.406 0.000) 0.406 5.796 ( 0.000 -1.082 0.000) 1.082 5.796 ( 0.000 1.082 0.000) 1.082 5.879 ( 0.000 -0.202 0.000) 0.202 5.879 ( -0.000 0.202 0.000) 0.202 6.706 ( 0.000 -3.535 0.000) 3.535 6.706 ( 0.000 3.535 0.000) 3.535 6.915 ( 0.000 -1.460 0.000) 1.460 6.915 ( 0.000 1.460 0.000) 1.460 7.476 ( 0.000 -2.427 0.000) 2.427 7.476 ( 0.000 2.427 0.000) 2.427 7.613 ( 0.000 -4.568 0.000) 4.568 7.613 ( 0.000 4.568 0.000) 4.568 8.302 ( 0.000 -0.270 0.000) 0.270 8.302 ( 0.000 0.270 0.000) 0.270 8.350 ( 0.000 -0.675 0.000) 0.675 8.350 ( -0.000 0.675 0.000) 0.675 8.417 ( 0.000 -0.666 0.000) 0.666 8.417 ( 0.000 0.666 0.000) 0.666 8.569 ( 0.000 -0.351 0.000) 0.351 8.569 ( 0.000 0.351 0.000) 0.351 9.242 ( 0.000 -0.407 0.000) 0.407 9.242 ( 0.000 0.407 0.000) 0.407 9.346 ( 0.000 -0.771 -0.000) 0.771 9.346 ( 0.000 0.771 0.000) 0.771 ======================= Grid point 45 (16/78) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( -1.397 0.000 20.478) 20.526 0.431 ( 0.934 0.000 22.828) 22.847 0.589 ( -3.414 0.000 30.143) 30.336 1.183 ( 1.694 0.000 4.763) 5.056 1.189 ( 5.120 0.000 6.063) 7.936 1.356 ( 2.690 0.000 2.840) 3.912 1.420 ( -3.114 0.000 1.773) 3.583 1.440 ( -1.412 0.000 0.727) 1.588 1.537 ( 1.392 0.000 -3.639) 3.896 1.610 ( -0.635 0.000 -2.786) 2.857 1.637 ( -0.654 0.000 1.992) 2.097 1.651 ( 2.568 0.000 -0.626) 2.643 1.714 ( 1.901 0.000 -2.123) 2.850 1.731 ( -4.152 0.000 0.709) 4.212 1.786 ( 0.604 0.000 0.158) 0.624 1.809 ( 1.922 0.000 0.774) 2.072 1.851 ( 1.795 0.000 -7.374) 7.590 1.913 ( -1.564 0.000 4.324) 4.598 1.995 ( -2.704 0.000 -3.224) 4.208 2.063 ( 2.982 0.000 -1.516) 3.345 2.083 ( -4.545 0.000 1.517) 4.791 2.119 ( -1.537 0.000 0.983) 1.825 2.122 ( 2.442 0.000 -3.413) 4.197 2.182 ( 0.116 0.000 1.252) 1.257 2.223 ( -4.508 0.000 -0.372) 4.523 2.227 ( 2.445 0.000 -3.068) 3.923 2.291 ( 0.098 0.000 0.973) 0.978 2.348 ( -2.712 0.000 -1.944) 3.337 2.395 ( -2.088 0.000 -3.151) 3.780 2.427 ( 1.476 0.000 1.180) 1.889 2.439 ( -2.596 0.000 -0.619) 2.668 2.461 ( 2.260 0.000 -0.114) 2.263 2.477 ( -3.252 0.000 -1.323) 3.511 2.485 ( -3.074 0.000 -2.571) 4.008 2.536 ( -0.046 0.000 0.893) 0.895 2.655 ( -1.282 0.000 -2.433) 2.750 2.675 ( 1.334 0.000 2.695) 3.007 2.705 ( 5.075 0.000 5.545) 7.517 2.707 ( -1.650 0.000 -6.538) 6.743 2.751 ( 2.021 0.000 -3.695) 4.211 2.778 ( -2.137 0.000 -0.362) 2.168 2.826 ( -2.491 0.000 0.567) 2.555 2.842 ( 3.954 0.000 -3.058) 4.999 2.850 ( 3.298 0.000 2.351) 4.050 2.902 ( -0.255 0.000 2.128) 2.143 2.910 ( -0.719 0.000 2.623) 2.719 3.013 ( 1.139 0.000 -0.199) 1.156 3.050 ( -2.538 0.000 4.329) 5.018 3.057 ( 4.260 0.000 6.337) 7.636 3.088 ( 2.761 0.000 -1.807) 3.300 3.165 ( -0.807 0.000 2.979) 3.087 3.217 ( 0.145 0.000 2.752) 2.756 3.229 ( 2.547 0.000 -3.981) 4.726 3.290 ( 2.500 0.000 -0.878) 2.649 3.331 ( 4.969 0.000 -2.656) 5.634 3.344 ( -2.451 0.000 3.342) 4.144 3.386 ( 0.274 0.000 0.785) 0.831 3.430 ( -1.292 0.000 3.833) 4.045 3.491 ( -0.741 0.000 -1.045) 1.281 3.525 ( -1.276 0.000 -1.411) 1.902 3.585 ( 2.628 0.000 -1.654) 3.105 3.616 ( 5.795 0.000 -5.068) 7.699 3.765 ( -0.612 0.000 -0.857) 1.053 3.865 ( 0.416 0.000 -1.829) 1.876 3.910 ( -2.470 0.000 -1.695) 2.995 3.920 ( 12.509 0.000 -0.059) 12.509 4.056 ( -3.269 0.000 0.946) 3.403 4.066 ( -0.580 0.000 -1.639) 1.739 4.102 ( -2.507 0.000 0.198) 2.515 4.117 ( 0.150 0.000 -2.221) 2.226 4.211 ( -2.971 0.000 -0.764) 3.067 4.216 ( 1.623 0.000 -1.637) 2.305 4.495 ( 1.408 0.000 -0.491) 1.491 4.531 ( 1.658 0.000 0.692) 1.797 4.582 ( 4.098 0.000 -3.136) 5.160 4.643 ( -1.654 0.000 -1.942) 2.551 4.791 ( -2.235 0.000 1.100) 2.491 4.940 ( -2.186 0.000 5.395) 5.821 5.057 ( 0.237 0.000 -3.589) 3.597 5.169 ( 2.932 0.000 2.217) 3.676 5.204 ( -1.917 0.000 2.718) 3.326 5.223 ( -1.409 0.000 -1.964) 2.417 5.369 ( -0.534 0.000 0.832) 0.989 5.451 ( -0.587 0.000 0.505) 0.775 5.721 ( 1.275 0.000 1.240) 1.778 5.805 ( -0.351 0.000 -0.573) 0.672 5.815 ( -1.823 0.000 5.948) 6.221 6.259 ( 5.265 0.000 -1.557) 5.491 6.615 ( 2.061 0.000 1.860) 2.776 6.693 ( -1.402 0.000 0.143) 1.410 6.952 ( -5.513 0.000 -0.603) 5.546 7.118 ( -0.895 0.000 -3.037) 3.167 7.383 ( -0.775 0.000 0.265) 0.819 7.428 ( 0.477 0.000 -0.385) 0.613 7.609 ( 0.657 0.000 -0.086) 0.662 7.650 ( -16.399 0.000 -0.958) 16.427 8.222 ( -0.425 0.000 0.134) 0.445 8.290 ( 0.270 0.000 -1.125) 1.157 8.355 ( -0.562 0.000 0.870) 1.035 8.393 ( 0.122 0.000 -0.692) 0.702 8.446 ( -0.429 0.000 0.491) 0.652 8.529 ( -2.297 0.000 -0.553) 2.362 8.564 ( 1.290 0.000 0.510) 1.387 8.619 ( -0.977 0.000 -0.813) 1.271 9.189 ( 0.451 0.000 1.244) 1.323 9.242 ( 0.094 0.000 0.956) 0.960 9.385 ( 0.105 0.000 -0.392) 0.405 9.398 ( -0.894 0.000 -1.097) 1.415 ======================= Grid point 46 (17/78) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -5.224 0.000 19.681) 20.362 0.660 ( 3.677 0.000 17.813) 18.189 1.052 ( 13.635 0.000 13.714) 19.339 1.324 ( 3.384 0.000 10.676) 11.199 1.343 ( -0.499 0.000 1.399) 1.486 1.375 ( -0.723 0.000 -2.421) 2.526 1.423 ( 1.654 0.000 -0.883) 1.875 1.446 ( 1.356 0.000 6.401) 6.543 1.546 ( -0.041 0.000 -1.926) 1.927 1.567 ( 4.088 0.000 0.880) 4.182 1.604 ( -2.226 0.000 0.730) 2.343 1.663 ( -4.466 0.000 -0.740) 4.526 1.665 ( -0.146 0.000 -6.000) 6.001 1.726 ( 1.599 0.000 -1.879) 2.467 1.748 ( 0.726 0.000 -2.974) 3.061 1.823 ( 0.715 0.000 -1.231) 1.424 1.849 ( 1.539 0.000 0.316) 1.571 1.930 ( -0.829 0.000 -0.078) 0.833 1.941 ( -0.652 0.000 3.055) 3.124 1.974 ( -4.218 0.000 -2.614) 4.962 2.068 ( -5.224 0.000 -0.212) 5.228 2.106 ( -0.077 0.000 -3.278) 3.279 2.111 ( -1.127 0.000 2.200) 2.472 2.177 ( -0.659 0.000 0.346) 0.745 2.180 ( -1.239 0.000 -0.025) 1.239 2.212 ( 1.737 0.000 -3.589) 3.987 2.269 ( -2.908 0.000 -1.639) 3.338 2.320 ( 1.567 0.000 2.476) 2.930 2.324 ( 0.182 0.000 -4.173) 4.177 2.372 ( -4.085 0.000 -0.956) 4.196 2.411 ( -4.410 0.000 -1.748) 4.744 2.415 ( -1.833 0.000 -0.037) 1.833 2.446 ( -2.369 0.000 1.967) 3.079 2.525 ( 3.729 0.000 2.092) 4.276 2.528 ( -3.307 0.000 -0.715) 3.384 2.615 ( -0.585 0.000 -3.110) 3.165 2.648 ( 0.240 0.000 -2.011) 2.025 2.652 ( 2.294 0.000 -0.532) 2.355 2.713 ( -1.835 0.000 -0.348) 1.868 2.713 ( -1.206 0.000 -2.975) 3.210 2.813 ( 1.641 0.000 0.414) 1.692 2.855 ( -2.226 0.000 2.791) 3.570 2.860 ( 1.744 0.000 3.488) 3.900 2.881 ( 4.363 0.000 -1.914) 4.764 2.946 ( 1.196 0.000 0.329) 1.240 2.979 ( 2.881 0.000 3.391) 4.449 3.039 ( 1.388 0.000 0.414) 1.448 3.051 ( -2.555 0.000 1.902) 3.185 3.109 ( 1.083 0.000 0.282) 1.119 3.184 ( 3.332 0.000 3.444) 4.791 3.190 ( -1.448 0.000 0.864) 1.686 3.206 ( 2.378 0.000 -4.472) 5.065 3.244 ( -0.533 0.000 1.791) 1.869 3.327 ( 1.404 0.000 -2.623) 2.975 3.331 ( 3.313 0.000 -0.009) 3.313 3.356 ( -1.957 0.000 3.372) 3.899 3.392 ( -0.871 0.000 0.360) 0.943 3.469 ( 1.786 0.000 -0.157) 1.793 3.484 ( -0.602 0.000 1.496) 1.612 3.515 ( 1.201 0.000 2.678) 2.935 3.594 ( 4.556 0.000 -5.187) 6.904 3.645 ( 3.918 0.000 -2.420) 4.605 3.733 ( -1.506 0.000 -1.535) 2.150 3.813 ( -0.545 0.000 -4.623) 4.655 3.843 ( -5.351 0.000 0.060) 5.351 3.993 ( -3.843 0.000 -1.864) 4.271 3.996 ( 2.642 0.000 -1.279) 2.935 4.074 ( -0.927 0.000 -0.976) 1.346 4.081 ( -0.548 0.000 1.200) 1.319 4.107 ( 1.557 0.000 -1.287) 2.020 4.149 ( -1.131 0.000 -2.235) 2.505 4.219 ( 1.049 0.000 -0.840) 1.343 4.525 ( 1.538 0.000 1.180) 1.939 4.574 ( 4.099 0.000 -2.023) 4.572 4.581 ( 0.495 0.000 -3.027) 3.067 4.613 ( 2.281 0.000 -2.565) 3.433 4.782 ( -2.052 0.000 2.388) 3.149 4.975 ( -2.564 0.000 5.243) 5.836 5.005 ( -0.843 0.000 -3.451) 3.552 5.177 ( -0.218 0.000 -2.537) 2.547 5.185 ( -3.030 0.000 0.211) 3.038 5.237 ( 1.374 0.000 2.551) 2.897 5.378 ( -0.896 0.000 2.442) 2.601 5.436 ( -1.823 0.000 0.289) 1.846 5.747 ( 0.802 0.000 0.602) 1.002 5.792 ( 0.140 0.000 -1.042) 1.051 5.883 ( -2.109 0.000 7.944) 8.219 6.155 ( -10.899 0.000 1.785) 11.044 6.664 ( -2.035 0.000 -0.198) 2.044 6.687 ( 2.148 0.000 3.781) 4.349 6.938 ( 1.884 0.000 -0.894) 2.085 7.041 ( -2.437 0.000 -4.531) 5.145 7.380 ( 0.041 0.000 0.101) 0.109 7.439 ( 1.544 0.000 -0.353) 1.584 7.551 ( -2.625 0.000 1.002) 2.810 7.635 ( 2.366 0.000 0.498) 2.418 8.217 ( -0.285 0.000 -0.055) 0.290 8.288 ( 0.903 0.000 -0.615) 1.092 8.349 ( -1.165 0.000 0.289) 1.200 8.381 ( -0.826 0.000 -0.642) 1.046 8.449 ( -0.321 0.000 1.182) 1.225 8.487 ( -2.448 0.000 -0.144) 2.452 8.580 ( 0.594 0.000 -0.215) 0.632 8.602 ( -0.276 0.000 0.129) 0.305 9.217 ( 0.385 0.000 1.914) 1.953 9.257 ( 0.120 0.000 0.958) 0.966 9.366 ( -1.372 0.000 -1.012) 1.704 9.378 ( -0.053 0.000 -0.701) 0.703 ======================= Grid point 47 (18/78) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -1.268 0.000 11.549) 11.619 0.919 ( 3.914 0.000 12.912) 13.492 1.249 ( -4.126 0.000 -10.933) 11.686 1.249 ( 5.128 0.000 0.650) 5.169 1.271 ( -4.145 0.000 -2.118) 4.654 1.296 ( -4.808 0.000 -6.402) 8.007 1.441 ( -7.400 0.000 -0.888) 7.453 1.500 ( 1.785 0.000 2.737) 3.268 1.559 ( -2.361 0.000 -5.464) 5.952 1.589 ( 2.627 0.000 6.081) 6.624 1.633 ( 4.146 0.000 -3.498) 5.424 1.646 ( -0.692 0.000 2.284) 2.386 1.727 ( 5.147 0.000 3.240) 6.081 1.734 ( -1.555 0.000 3.601) 3.922 1.786 ( 4.061 0.000 0.334) 4.075 1.803 ( -0.541 0.000 -4.511) 4.543 1.865 ( 1.886 0.000 0.910) 2.094 1.877 ( 0.353 0.000 1.892) 1.925 1.944 ( -2.675 0.000 3.718) 4.580 2.027 ( 2.118 0.000 5.917) 6.285 2.028 ( 0.111 0.000 3.158) 3.160 2.042 ( -0.534 0.000 -4.047) 4.083 2.130 ( -3.108 0.000 1.175) 3.323 2.160 ( 0.025 0.000 -3.143) 3.143 2.186 ( 1.886 0.000 -4.371) 4.760 2.202 ( 1.635 0.000 6.571) 6.771 2.225 ( 0.165 0.000 -1.283) 1.293 2.284 ( -6.146 0.000 -0.222) 6.150 2.301 ( 0.613 0.000 -2.000) 2.092 2.339 ( -1.944 0.000 0.296) 1.966 2.391 ( -0.614 0.000 5.204) 5.240 2.418 ( 0.270 0.000 0.016) 0.271 2.434 ( 0.017 0.000 1.739) 1.739 2.455 ( -2.655 0.000 -1.534) 3.066 2.598 ( 0.090 0.000 -0.602) 0.608 2.603 ( 2.359 0.000 2.230) 3.246 2.625 ( -0.583 0.000 -4.073) 4.115 2.665 ( 0.354 0.000 0.819) 0.892 2.704 ( 1.731 0.000 2.979) 3.446 2.732 ( 2.831 0.000 0.094) 2.833 2.813 ( 1.089 0.000 -0.900) 1.412 2.881 ( -0.192 0.000 2.811) 2.817 2.883 ( 0.100 0.000 -1.934) 1.937 2.937 ( -1.647 0.000 -1.542) 2.256 2.946 ( 3.866 0.000 2.099) 4.399 3.025 ( -0.017 0.000 -0.676) 0.676 3.044 ( -0.267 0.000 -1.353) 1.379 3.068 ( 2.312 0.000 1.971) 3.038 3.096 ( -4.577 0.000 -2.795) 5.363 3.148 ( -1.650 0.000 2.971) 3.399 3.189 ( 2.951 0.000 -4.109) 5.059 3.235 ( 1.264 0.000 -0.697) 1.444 3.250 ( 0.087 0.000 -0.254) 0.269 3.333 ( 1.032 0.000 -1.218) 1.597 3.363 ( -2.807 0.000 2.797) 3.963 3.382 ( 2.988 0.000 0.472) 3.025 3.392 ( 1.274 0.000 0.556) 1.391 3.474 ( 2.829 0.000 -3.332) 4.371 3.479 ( 0.323 0.000 -3.822) 3.836 3.588 ( 0.466 0.000 2.666) 2.706 3.598 ( 3.591 0.000 -2.485) 4.367 3.660 ( 0.851 0.000 -0.726) 1.119 3.697 ( -1.286 0.000 0.936) 1.590 3.750 ( -1.475 0.000 -3.101) 3.434 3.786 ( -2.956 0.000 2.312) 3.753 3.911 ( -2.936 0.000 -2.565) 3.898 3.999 ( -0.270 0.000 -2.861) 2.874 4.041 ( -2.452 0.000 0.916) 2.618 4.052 ( -2.257 0.000 0.766) 2.384 4.119 ( 1.712 0.000 -1.016) 1.991 4.158 ( 2.708 0.000 -0.240) 2.718 4.231 ( 1.080 0.000 0.222) 1.102 4.553 ( 0.898 0.000 -2.438) 2.598 4.568 ( 0.942 0.000 2.301) 2.486 4.592 ( 2.977 0.000 -2.775) 4.070 4.616 ( 2.872 0.000 -3.255) 4.341 4.789 ( -2.379 0.000 3.795) 4.479 4.950 ( -0.917 0.000 -2.697) 2.848 4.988 ( -4.815 0.000 4.982) 6.928 5.136 ( -2.151 0.000 -0.998) 2.371 5.150 ( 0.669 0.000 -2.084) 2.189 5.280 ( 0.761 0.000 1.649) 1.817 5.400 ( -0.780 0.000 2.648) 2.760 5.410 ( -2.014 0.000 0.123) 2.018 5.765 ( 0.522 0.000 0.733) 0.900 5.785 ( 0.992 0.000 -1.309) 1.642 5.928 ( -3.754 0.000 5.438) 6.608 6.030 ( -8.264 0.000 0.748) 8.298 6.638 ( -1.340 0.000 0.078) 1.343 6.765 ( 1.934 0.000 3.099) 3.653 6.947 ( -2.650 0.000 -3.501) 4.391 6.953 ( 1.122 0.000 -0.233) 1.146 7.386 ( 0.492 0.000 0.264) 0.558 7.461 ( 1.979 0.000 -0.579) 2.062 7.539 ( -0.821 0.000 0.751) 1.113 7.686 ( 2.652 0.000 1.299) 2.954 8.214 ( 0.079 0.000 -0.076) 0.110 8.296 ( 1.160 0.000 -0.694) 1.352 8.335 ( -0.940 0.000 0.302) 0.988 8.351 ( -2.552 0.000 -0.050) 2.553 8.458 ( -1.251 0.000 -0.058) 1.253 8.466 ( 0.012 0.000 1.607) 1.607 8.580 ( 0.063 0.000 -0.287) 0.293 8.603 ( 0.196 0.000 -0.134) 0.237 9.243 ( -0.063 0.000 1.444) 1.446 9.263 ( -0.002 0.000 -0.356) 0.356 9.337 ( -1.242 0.000 -0.224) 1.262 9.366 ( -0.227 0.000 -0.679) 0.716 ======================= Grid point 48 (19/78) ======================= q-point: ( 0.38 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 1.884 0.000 7.329) 7.567 1.024 ( 4.446 0.000 -8.462) 9.559 1.096 ( -2.264 0.000 -0.564) 2.333 1.184 ( -3.993 0.000 -1.005) 4.117 1.222 ( -2.299 0.000 4.727) 5.257 1.329 ( 2.523 0.000 2.350) 3.448 1.362 ( -4.746 0.000 2.299) 5.274 1.423 ( -1.222 0.000 -6.851) 6.959 1.534 ( -3.945 0.000 -0.112) 3.947 1.611 ( 2.229 0.000 -1.866) 2.907 1.625 ( 2.261 0.000 -3.220) 3.935 1.679 ( 0.223 0.000 2.496) 2.506 1.737 ( 2.744 0.000 2.781) 3.907 1.768 ( 2.784 0.000 -2.695) 3.875 1.802 ( -4.815 0.000 4.635) 6.683 1.848 ( 0.197 0.000 -2.701) 2.709 1.849 ( 2.857 0.000 0.317) 2.875 1.926 ( 0.270 0.000 0.801) 0.846 1.978 ( -2.734 0.000 1.250) 3.006 1.987 ( 1.496 0.000 -2.470) 2.887 2.056 ( -2.772 0.000 3.517) 4.478 2.067 ( -3.654 0.000 0.076) 3.655 2.117 ( 1.852 0.000 -5.924) 6.207 2.164 ( 2.726 0.000 3.999) 4.839 2.168 ( -1.426 0.000 -4.838) 5.043 2.213 ( 5.140 0.000 1.950) 5.498 2.269 ( 1.355 0.000 1.722) 2.191 2.301 ( 0.457 0.000 -1.103) 1.194 2.302 ( -2.368 0.000 4.032) 4.676 2.341 ( -2.077 0.000 4.649) 5.092 2.360 ( -6.053 0.000 1.023) 6.139 2.428 ( 1.325 0.000 -0.351) 1.370 2.429 ( 1.048 0.000 0.955) 1.418 2.549 ( -4.197 0.000 -1.884) 4.601 2.550 ( 6.419 0.000 5.407) 8.393 2.590 ( 1.077 0.000 -2.065) 2.329 2.647 ( 1.016 0.000 1.007) 1.430 2.696 ( -1.346 0.000 0.839) 1.586 2.721 ( -2.275 0.000 -0.793) 2.409 2.790 ( 2.576 0.000 2.927) 3.899 2.828 ( 0.421 0.000 -2.700) 2.733 2.841 ( -0.808 0.000 -2.550) 2.675 2.870 ( -0.028 0.000 -0.588) 0.589 2.910 ( 0.300 0.000 -0.005) 0.300 3.003 ( 1.072 0.000 -3.360) 3.527 3.006 ( -0.458 0.000 0.127) 0.475 3.029 ( 2.187 0.000 2.618) 3.411 3.034 ( 0.043 0.000 -1.185) 1.186 3.108 ( 1.831 0.000 -0.883) 2.033 3.136 ( -5.034 0.000 0.885) 5.111 3.187 ( 3.401 0.000 -3.747) 5.061 3.225 ( 0.899 0.000 -2.612) 2.762 3.254 ( 0.820 0.000 -0.999) 1.293 3.317 ( -2.120 0.000 -3.605) 4.182 3.330 ( 0.669 0.000 0.699) 0.967 3.432 ( 1.249 0.000 -1.352) 1.840 3.435 ( 2.385 0.000 1.002) 2.587 3.439 ( 1.603 0.000 0.776) 1.780 3.471 ( 3.580 0.000 -4.427) 5.693 3.575 ( -2.072 0.000 -0.065) 2.073 3.615 ( -0.139 0.000 -2.213) 2.217 3.655 ( -0.674 0.000 1.701) 1.830 3.718 ( 0.530 0.000 0.141) 0.549 3.730 ( -0.592 0.000 3.882) 3.927 3.807 ( 0.137 0.000 3.140) 3.143 3.845 ( -1.786 0.000 -2.136) 2.785 3.928 ( -3.003 0.000 -2.427) 3.861 4.031 ( 0.141 0.000 -1.131) 1.140 4.048 ( -0.853 0.000 2.145) 2.309 4.133 ( 1.412 0.000 -0.220) 1.429 4.194 ( 1.134 0.000 1.019) 1.525 4.249 ( 0.383 0.000 0.472) 0.608 4.547 ( 2.011 0.000 -2.155) 2.948 4.573 ( 0.976 0.000 -2.661) 2.834 4.619 ( 3.123 0.000 -2.868) 4.240 4.629 ( 1.203 0.000 2.347) 2.638 4.808 ( -2.707 0.000 5.000) 5.686 4.921 ( -0.017 0.000 -0.387) 0.387 4.956 ( -6.647 0.000 3.884) 7.699 5.113 ( -0.268 0.000 0.342) 0.434 5.142 ( 1.491 0.000 -1.905) 2.419 5.300 ( 0.001 0.000 0.550) 0.550 5.382 ( -1.532 0.000 -0.285) 1.558 5.410 ( -1.167 0.000 0.769) 1.398 5.780 ( 0.108 0.000 0.805) 0.812 5.790 ( 2.206 0.000 -1.727) 2.802 5.912 ( -3.989 0.000 1.608) 4.301 5.930 ( -5.396 0.000 -0.315) 5.406 6.621 ( -0.521 0.000 -0.711) 0.881 6.802 ( 0.683 0.000 -0.987) 1.200 6.896 ( -1.112 0.000 0.608) 1.268 6.973 ( -0.073 0.000 2.522) 2.523 7.399 ( 0.316 0.000 0.694) 0.763 7.478 ( 1.552 0.000 -0.856) 1.773 7.545 ( -0.646 0.000 1.996) 2.098 7.738 ( 1.031 0.000 2.109) 2.347 8.221 ( 0.865 0.000 0.133) 0.875 8.301 ( 1.003 0.000 -1.009) 1.423 8.310 ( -3.129 0.000 0.595) 3.185 8.331 ( -0.586 0.000 0.673) 0.892 8.445 ( -0.300 0.000 -0.327) 0.444 8.482 ( -0.374 0.000 0.987) 1.055 8.577 ( -0.054 0.000 -0.067) 0.086 8.602 ( 0.102 0.000 -0.223) 0.245 9.248 ( -0.435 0.000 -0.133) 0.455 9.250 ( 0.427 0.000 -1.881) 1.929 9.327 ( -0.975 0.000 1.239) 1.577 9.360 ( -0.093 0.000 0.234) 0.252 ======================= Grid point 49 (20/78) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -6.685 0.000 -6.422) 9.269 1.001 ( -6.172 0.000 9.333) 11.189 1.099 ( 12.926 0.000 0.143) 12.927 1.125 ( 0.162 0.000 -2.253) 2.259 1.316 ( -1.220 0.000 6.959) 7.065 1.336 ( -2.073 0.000 -1.556) 2.592 1.363 ( -0.207 0.000 7.192) 7.195 1.401 ( 5.501 0.000 -0.381) 5.514 1.478 ( 0.879 0.000 -2.989) 3.116 1.641 ( 3.132 0.000 -1.778) 3.601 1.661 ( 1.843 0.000 2.480) 3.090 1.716 ( -3.083 0.000 -0.233) 3.092 1.760 ( 0.619 0.000 -2.992) 3.056 1.761 ( -3.120 0.000 2.019) 3.716 1.767 ( -0.761 0.000 5.214) 5.269 1.873 ( 0.916 0.000 -1.861) 2.074 1.876 ( 0.459 0.000 -1.947) 2.000 1.879 ( -1.472 0.000 -2.673) 3.052 1.946 ( -0.315 0.000 2.628) 2.647 1.986 ( 1.071 0.000 -4.415) 4.543 2.018 ( 0.199 0.000 -2.052) 2.061 2.062 ( -2.290 0.000 2.995) 3.770 2.089 ( 2.619 0.000 -3.098) 4.057 2.133 ( 0.773 0.000 0.692) 1.038 2.183 ( -6.993 0.000 -6.093) 9.275 2.227 ( -3.326 0.000 2.661) 4.259 2.253 ( -0.323 0.000 -2.239) 2.262 2.294 ( -1.802 0.000 -0.971) 2.047 2.302 ( 2.954 0.000 1.831) 3.476 2.322 ( 0.817 0.000 -0.626) 1.029 2.377 ( -3.039 0.000 6.598) 7.264 2.424 ( -3.218 0.000 -2.547) 4.104 2.464 ( -4.414 0.000 -0.143) 4.416 2.485 ( 5.822 0.000 -0.178) 5.824 2.561 ( -5.099 0.000 -0.639) 5.139 2.582 ( 1.932 0.000 -2.384) 3.069 2.645 ( -0.477 0.000 0.111) 0.490 2.680 ( -0.427 0.000 0.641) 0.770 2.750 ( 1.111 0.000 2.126) 2.399 2.757 ( -2.591 0.000 -2.755) 3.782 2.822 ( 2.220 0.000 -1.960) 2.961 2.867 ( 2.462 0.000 -1.079) 2.688 2.884 ( -0.341 0.000 -2.339) 2.364 2.933 ( 0.975 0.000 6.552) 6.624 2.968 ( -1.152 0.000 -0.329) 1.198 3.027 ( 0.884 0.000 -1.752) 1.963 3.042 ( 1.550 0.000 -0.251) 1.570 3.065 ( -1.989 0.000 1.747) 2.647 3.068 ( 1.270 0.000 -0.993) 1.612 3.119 ( 1.718 0.000 -1.537) 2.305 3.182 ( 1.406 0.000 -3.706) 3.963 3.201 ( 1.647 0.000 -3.653) 4.007 3.234 ( 0.546 0.000 -2.846) 2.898 3.259 ( -0.385 0.000 -1.468) 1.518 3.364 ( -0.038 0.000 2.037) 2.038 3.422 ( 0.801 0.000 -1.255) 1.488 3.439 ( -0.519 0.000 -2.005) 2.071 3.486 ( 1.337 0.000 0.486) 1.423 3.508 ( 4.067 0.000 0.300) 4.078 3.552 ( -0.395 0.000 -1.177) 1.241 3.580 ( 1.411 0.000 -2.662) 3.013 3.675 ( 0.884 0.000 1.237) 1.520 3.744 ( -4.011 0.000 3.662) 5.431 3.746 ( 1.273 0.000 -0.573) 1.396 3.798 ( -0.703 0.000 0.662) 0.966 3.867 ( -0.365 0.000 5.395) 5.407 3.869 ( 0.873 0.000 -4.047) 4.140 4.027 ( 0.475 0.000 0.204) 0.517 4.069 ( -0.185 0.000 2.363) 2.371 4.157 ( 1.239 0.000 0.676) 1.411 4.211 ( -0.574 0.000 0.823) 1.004 4.245 ( -0.933 0.000 -0.629) 1.126 4.547 ( 1.563 0.000 -2.160) 2.666 4.548 ( 0.360 0.000 -2.625) 2.649 4.644 ( 3.963 0.000 -1.652) 4.294 4.669 ( 0.357 0.000 2.315) 2.343 4.834 ( -3.336 0.000 5.879) 6.760 4.912 ( -4.986 0.000 3.252) 5.953 4.944 ( 1.276 0.000 2.158) 2.507 5.127 ( 0.117 0.000 1.611) 1.616 5.141 ( 1.711 0.000 -1.890) 2.550 5.290 ( -1.140 0.000 -0.787) 1.386 5.365 ( 0.174 0.000 -0.469) 0.500 5.382 ( -1.613 0.000 -1.602) 2.273 5.787 ( -0.433 0.000 0.646) 0.777 5.804 ( 3.637 0.000 -3.251) 4.879 5.862 ( -2.682 0.000 -1.363) 3.009 5.866 ( -3.131 0.000 0.243) 3.141 6.608 ( 0.351 0.000 -0.708) 0.790 6.764 ( -1.154 0.000 -3.768) 3.941 6.929 ( 1.086 0.000 3.986) 4.131 7.008 ( -0.661 0.000 3.285) 3.351 7.411 ( -0.391 0.000 1.134) 1.199 7.485 ( 0.665 0.000 -0.658) 0.936 7.570 ( -0.898 0.000 3.782) 3.887 7.758 ( -1.980 0.000 1.804) 2.678 8.239 ( 0.447 0.000 0.355) 0.570 8.288 ( -0.561 0.000 1.338) 1.451 8.303 ( 1.001 0.000 -0.981) 1.401 8.329 ( -0.823 0.000 0.516) 0.971 8.439 ( 0.218 0.000 -0.360) 0.421 8.475 ( -1.080 0.000 -0.161) 1.091 8.578 ( 0.241 0.000 0.013) 0.242 8.602 ( 0.105 0.000 -0.266) 0.286 9.230 ( -0.420 0.000 -1.334) 1.398 9.235 ( 1.033 0.000 -2.044) 2.290 9.336 ( -0.451 0.000 1.738) 1.795 9.369 ( 0.150 0.000 0.862) 0.875 ======================= Grid point 50 (21/78) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -10.789 0.000 -6.784) 12.744 0.895 ( -19.624 0.000 7.315) 20.943 1.148 ( 5.423 0.000 -3.698) 6.564 1.291 ( 7.815 0.000 0.953) 7.873 1.321 ( 0.763 0.000 -0.667) 1.014 1.386 ( 1.341 0.000 3.167) 3.440 1.465 ( 0.421 0.000 0.617) 0.747 1.505 ( 4.387 0.000 -0.704) 4.443 1.515 ( 3.910 0.000 10.695) 11.387 1.541 ( -16.080 0.000 -8.258) 18.076 1.639 ( -6.031 0.000 0.185) 6.034 1.653 ( 2.550 0.000 -3.175) 4.072 1.710 ( -1.421 0.000 -2.858) 3.192 1.753 ( 2.299 0.000 3.530) 4.213 1.787 ( -2.784 0.000 -2.691) 3.872 1.803 ( -3.078 0.000 1.026) 3.245 1.859 ( -2.734 0.000 -2.536) 3.729 1.910 ( 3.901 0.000 3.841) 5.475 1.944 ( -0.707 0.000 -0.508) 0.871 1.966 ( 0.191 0.000 -1.586) 1.597 2.024 ( 5.222 0.000 -3.763) 6.437 2.041 ( -1.841 0.000 1.164) 2.178 2.098 ( 0.308 0.000 4.923) 4.932 2.107 ( 3.576 0.000 -1.194) 3.770 2.164 ( 1.205 0.000 -0.614) 1.352 2.197 ( -1.803 0.000 -1.394) 2.279 2.239 ( 2.989 0.000 -1.472) 3.331 2.276 ( -1.330 0.000 -1.085) 1.716 2.306 ( -0.606 0.000 -0.514) 0.795 2.342 ( 0.481 0.000 -1.641) 1.710 2.361 ( 2.066 0.000 1.771) 2.721 2.393 ( -1.631 0.000 4.094) 4.407 2.472 ( 0.461 0.000 4.531) 4.554 2.495 ( -4.341 0.000 -0.028) 4.341 2.564 ( 5.039 0.000 -0.981) 5.133 2.587 ( 2.220 0.000 -2.094) 3.052 2.630 ( -2.458 0.000 1.327) 2.794 2.668 ( -1.402 0.000 -0.073) 1.404 2.709 ( -0.666 0.000 0.150) 0.683 2.777 ( -1.018 0.000 1.941) 2.192 2.816 ( 0.014 0.000 -1.206) 1.206 2.843 ( -0.600 0.000 -1.389) 1.513 2.856 ( 0.590 0.000 -2.577) 2.644 2.959 ( -1.377 0.000 0.556) 1.485 2.970 ( -0.475 0.000 1.023) 1.128 3.013 ( 0.239 0.000 -1.911) 1.925 3.051 ( -0.906 0.000 -2.069) 2.258 3.074 ( 1.665 0.000 -0.367) 1.705 3.084 ( -2.150 0.000 -3.351) 3.981 3.138 ( 0.947 0.000 -4.033) 4.143 3.147 ( 4.394 0.000 4.622) 6.377 3.198 ( 1.313 0.000 -1.612) 2.079 3.211 ( 0.628 0.000 -2.011) 2.107 3.262 ( 1.230 0.000 0.583) 1.362 3.358 ( -0.693 0.000 -2.410) 2.508 3.399 ( -2.430 0.000 -0.465) 2.474 3.429 ( 3.076 0.000 -2.286) 3.832 3.462 ( -4.117 0.000 -0.361) 4.133 3.504 ( -1.597 0.000 -3.293) 3.659 3.564 ( 0.681 0.000 1.639) 1.775 3.598 ( 4.295 0.000 -2.209) 4.829 3.696 ( 1.280 0.000 -3.720) 3.934 3.737 ( -2.351 0.000 3.713) 4.395 3.738 ( 2.190 0.000 0.336) 2.215 3.837 ( 3.353 0.000 -6.674) 7.469 3.853 ( 1.909 0.000 4.034) 4.462 3.937 ( -0.945 0.000 6.896) 6.960 4.054 ( 1.376 0.000 1.460) 2.006 4.106 ( 0.196 0.000 3.745) 3.750 4.180 ( 0.704 0.000 0.568) 0.904 4.201 ( -1.018 0.000 -0.068) 1.020 4.210 ( -1.020 0.000 -2.050) 2.289 4.522 ( 0.037 0.000 -1.657) 1.658 4.543 ( 1.591 0.000 -1.832) 2.427 4.682 ( 3.077 0.000 -1.065) 3.256 4.702 ( 0.207 0.000 2.065) 2.076 4.856 ( -4.106 0.000 6.310) 7.529 4.892 ( -3.183 0.000 2.648) 4.140 4.993 ( 1.166 0.000 1.913) 2.240 5.144 ( 1.772 0.000 -1.863) 2.571 5.149 ( 0.085 0.000 1.186) 1.189 5.256 ( -1.264 0.000 -1.018) 1.623 5.340 ( -0.519 0.000 -1.589) 1.672 5.373 ( 1.584 0.000 -0.416) 1.637 5.779 ( -0.601 0.000 -1.472) 1.590 5.796 ( 2.849 0.000 -5.810) 6.471 5.807 ( -2.131 0.000 -0.824) 2.284 5.846 ( -1.002 0.000 0.953) 1.383 6.621 ( 1.301 0.000 0.782) 1.518 6.689 ( -1.874 0.000 -3.865) 4.296 7.012 ( 2.434 0.000 4.224) 4.876 7.032 ( -0.926 0.000 2.271) 2.452 7.415 ( -1.224 0.000 1.278) 1.769 7.479 ( -0.535 0.000 -0.531) 0.754 7.619 ( -1.406 0.000 6.784) 6.928 7.728 ( -3.767 0.000 0.529) 3.804 8.237 ( -0.961 0.000 0.604) 1.135 8.305 ( 0.751 0.000 -1.253) 1.461 8.320 ( -0.652 0.000 0.399) 0.765 8.329 ( 2.480 0.000 1.711) 3.013 8.444 ( 0.685 0.000 0.109) 0.694 8.455 ( -0.976 0.000 -0.312) 1.024 8.583 ( 0.350 0.000 -0.105) 0.366 8.592 ( -0.306 0.000 -1.246) 1.283 9.206 ( -0.301 0.000 -1.525) 1.554 9.228 ( 1.135 0.000 -1.738) 2.076 9.354 ( -0.023 0.000 1.459) 1.460 9.382 ( 0.181 0.000 0.627) 0.653 ======================= Grid point 51 (22/78) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( -14.663 0.000 -3.581) 15.094 0.659 ( -22.373 0.000 5.112) 22.949 1.022 ( -29.426 0.000 -10.463) 31.231 1.160 ( 1.335 0.000 -2.406) 2.751 1.308 ( 0.609 0.000 -2.425) 2.500 1.314 ( -5.742 0.000 -4.750) 7.452 1.403 ( 3.313 0.000 0.877) 3.427 1.460 ( -2.510 0.000 0.999) 2.702 1.594 ( -3.821 0.000 -0.684) 3.881 1.604 ( 0.584 0.000 1.723) 1.819 1.615 ( 3.856 0.000 1.763) 4.240 1.642 ( -0.455 0.000 1.500) 1.567 1.657 ( 1.703 0.000 -4.685) 4.985 1.788 ( -0.321 0.000 -1.815) 1.843 1.800 ( -1.341 0.000 3.015) 3.300 1.828 ( 0.761 0.000 2.416) 2.533 1.858 ( 2.104 0.000 -0.266) 2.121 1.865 ( 0.660 0.000 0.226) 0.698 1.943 ( 1.164 0.000 3.232) 3.435 2.040 ( -1.332 0.000 1.526) 2.026 2.046 ( 1.842 0.000 0.117) 1.846 2.079 ( 7.194 0.000 -2.655) 7.668 2.141 ( 4.960 0.000 -3.335) 5.977 2.149 ( -0.124 0.000 2.099) 2.103 2.167 ( 1.112 0.000 -0.529) 1.232 2.190 ( 1.551 0.000 0.829) 1.759 2.252 ( -0.164 0.000 1.230) 1.241 2.288 ( 3.456 0.000 0.189) 3.461 2.345 ( 3.365 0.000 5.073) 6.088 2.373 ( 2.024 0.000 0.613) 2.115 2.409 ( 1.156 0.000 1.603) 1.976 2.455 ( 0.546 0.000 4.160) 4.195 2.478 ( 0.448 0.000 3.532) 3.561 2.537 ( 0.846 0.000 2.839) 2.963 2.575 ( 1.005 0.000 -2.385) 2.588 2.587 ( -5.001 0.000 0.544) 5.030 2.623 ( 5.326 0.000 -0.879) 5.398 2.649 ( 0.033 0.000 -1.049) 1.049 2.747 ( 1.942 0.000 3.159) 3.708 2.751 ( -1.952 0.000 -0.481) 2.010 2.827 ( -1.051 0.000 3.053) 3.229 2.838 ( 0.246 0.000 -0.879) 0.913 2.857 ( 1.693 0.000 1.058) 1.997 2.927 ( -2.468 0.000 -2.074) 3.224 2.958 ( -0.711 0.000 -1.978) 2.102 2.984 ( -3.735 0.000 -3.123) 4.869 2.993 ( 1.878 0.000 -2.510) 3.135 3.002 ( -1.506 0.000 -3.519) 3.828 3.077 ( 1.265 0.000 -2.111) 2.461 3.111 ( -2.377 0.000 0.164) 2.383 3.176 ( -0.950 0.000 -2.796) 2.953 3.192 ( 2.148 0.000 -2.311) 3.155 3.234 ( -1.532 0.000 2.243) 2.716 3.297 ( 0.932 0.000 1.497) 1.764 3.306 ( 1.042 0.000 -4.519) 4.638 3.357 ( -0.035 0.000 -2.551) 2.552 3.373 ( -3.636 0.000 -2.085) 4.192 3.441 ( -3.529 0.000 0.506) 3.565 3.466 ( 2.632 0.000 0.205) 2.640 3.575 ( -1.654 0.000 1.444) 2.196 3.613 ( 1.382 0.000 -2.720) 3.050 3.652 ( 2.054 0.000 -5.936) 6.281 3.756 ( 0.397 0.000 0.275) 0.483 3.793 ( 3.256 0.000 0.779) 3.347 3.795 ( 2.618 0.000 -6.136) 6.671 3.928 ( 2.355 0.000 1.863) 3.003 4.009 ( -1.483 0.000 6.970) 7.126 4.087 ( 0.486 0.000 1.209) 1.303 4.169 ( 0.927 0.000 3.198) 3.330 4.170 ( -0.977 0.000 -1.161) 1.518 4.191 ( 0.469 0.000 0.131) 0.487 4.197 ( 1.967 0.000 -1.362) 2.392 4.509 ( 0.119 0.000 -0.699) 0.709 4.548 ( 2.252 0.000 -1.971) 2.993 4.700 ( 1.371 0.000 -1.341) 1.918 4.721 ( 0.867 0.000 -1.296) 1.560 4.868 ( -3.891 0.000 1.858) 4.312 4.878 ( -3.477 0.000 5.703) 6.679 5.016 ( -0.040 0.000 0.519) 0.520 5.129 ( 0.368 0.000 -3.097) 3.119 5.160 ( 0.037 0.000 0.957) 0.958 5.250 ( 0.495 0.000 1.162) 1.263 5.338 ( 0.999 0.000 0.347) 1.057 5.401 ( 2.218 0.000 0.218) 2.228 5.728 ( -0.760 0.000 -3.335) 3.421 5.749 ( 0.842 0.000 -5.058) 5.128 5.790 ( -1.997 0.000 1.949) 2.791 5.840 ( -1.329 0.000 0.744) 1.524 6.624 ( -1.271 0.000 -2.260) 2.593 6.660 ( 1.434 0.000 1.672) 2.203 7.043 ( -0.359 0.000 1.210) 1.262 7.094 ( 2.451 0.000 2.491) 3.495 7.408 ( -1.666 0.000 1.052) 1.971 7.458 ( -1.163 0.000 -0.574) 1.298 7.671 ( -3.522 0.000 -0.464) 3.553 7.716 ( -1.594 0.000 13.076) 13.173 8.231 ( -0.774 0.000 0.491) 0.917 8.288 ( -0.068 0.000 -1.502) 1.504 8.330 ( 0.620 0.000 0.555) 0.832 8.380 ( 1.633 0.000 0.741) 1.793 8.442 ( -0.429 0.000 -0.096) 0.440 8.470 ( 1.819 0.000 1.293) 2.232 8.558 ( -0.935 0.000 -2.588) 2.752 8.583 ( -0.171 0.000 -0.323) 0.365 9.185 ( -0.207 0.000 -1.039) 1.060 9.224 ( 0.853 0.000 -1.104) 1.396 9.369 ( 0.003 0.000 0.762) 0.762 9.388 ( 0.048 0.000 0.088) 0.101 ======================= Grid point 52 (23/78) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.285 ( -15.038 0.000 10.264) 18.206 0.323 ( -22.546 0.000 -3.285) 22.784 0.575 ( -30.778 0.000 18.584) 35.954 1.145 ( -0.554 0.000 0.296) 0.628 1.157 ( -4.488 0.000 -2.347) 5.065 1.303 ( 1.541 0.000 -0.155) 1.549 1.439 ( -2.649 0.000 1.767) 3.184 1.443 ( 0.063 0.000 0.726) 0.729 1.559 ( 0.757 0.000 -2.372) 2.490 1.603 ( -0.736 0.000 -1.083) 1.309 1.631 ( 1.877 0.000 -1.749) 2.565 1.644 ( -0.772 0.000 -0.282) 0.821 1.695 ( 2.567 0.000 1.335) 2.894 1.774 ( -2.342 0.000 -1.084) 2.580 1.776 ( -0.328 0.000 0.551) 0.641 1.802 ( -1.296 0.000 -1.232) 1.788 1.857 ( -1.333 0.000 6.125) 6.268 1.943 ( 2.712 0.000 -6.027) 6.609 1.991 ( 1.707 0.000 0.246) 1.724 2.015 ( 3.152 0.000 -0.870) 3.270 2.087 ( 0.898 0.000 1.410) 1.672 2.138 ( 1.897 0.000 -0.411) 1.941 2.154 ( 1.927 0.000 -1.894) 2.702 2.165 ( -0.361 0.000 -0.066) 0.367 2.203 ( 5.508 0.000 -2.473) 6.038 2.238 ( 0.498 0.000 3.457) 3.493 2.281 ( -0.580 0.000 2.761) 2.821 2.355 ( 2.690 0.000 0.846) 2.820 2.398 ( 1.937 0.000 -0.902) 2.136 2.428 ( -0.827 0.000 0.998) 1.297 2.452 ( -0.863 0.000 2.806) 2.935 2.505 ( -4.004 0.000 -1.166) 4.170 2.510 ( 1.068 0.000 5.344) 5.449 2.535 ( -1.366 0.000 0.517) 1.461 2.549 ( -1.826 0.000 -0.190) 1.836 2.568 ( 4.608 0.000 -2.645) 5.313 2.632 ( -1.810 0.000 -4.591) 4.935 2.710 ( -0.286 0.000 -5.925) 5.932 2.712 ( 6.167 0.000 -0.422) 6.182 2.790 ( -2.826 0.000 -3.548) 4.535 2.795 ( -0.923 0.000 0.550) 1.074 2.831 ( -2.971 0.000 0.038) 2.972 2.839 ( -0.030 0.000 -2.564) 2.565 2.887 ( -1.782 0.000 -2.095) 2.751 2.893 ( -0.620 0.000 0.877) 1.074 2.924 ( 0.883 0.000 -1.435) 1.685 2.963 ( -0.607 0.000 0.050) 0.609 3.018 ( -0.425 0.000 0.559) 0.702 3.055 ( -6.597 0.000 3.577) 7.504 3.076 ( 4.105 0.000 -2.356) 4.733 3.139 ( -0.242 0.000 2.908) 2.918 3.191 ( -3.352 0.000 1.268) 3.584 3.216 ( 3.501 0.000 -1.477) 3.800 3.260 ( -0.684 0.000 -0.050) 0.686 3.293 ( 0.030 0.000 -2.278) 2.278 3.341 ( -1.690 0.000 2.344) 2.890 3.359 ( 1.309 0.000 0.457) 1.386 3.417 ( -2.420 0.000 2.273) 3.320 3.503 ( 1.040 0.000 0.304) 1.083 3.558 ( -2.224 0.000 0.500) 2.279 3.584 ( 1.088 0.000 -3.479) 3.645 3.614 ( 3.855 0.000 -6.129) 7.241 3.744 ( 1.953 0.000 -0.609) 2.046 3.783 ( -0.241 0.000 0.540) 0.591 3.846 ( 2.583 0.000 0.392) 2.612 3.952 ( -0.032 0.000 -1.041) 1.041 4.059 ( -2.390 0.000 4.888) 5.441 4.096 ( -0.472 0.000 0.027) 0.473 4.145 ( -0.073 0.000 -1.847) 1.849 4.165 ( 0.743 0.000 -4.563) 4.623 4.209 ( 2.283 0.000 -1.793) 2.903 4.231 ( -0.284 0.000 2.101) 2.120 4.507 ( 0.268 0.000 -0.187) 0.327 4.561 ( 3.412 0.000 -2.540) 4.254 4.614 ( -4.479 0.000 -12.479) 13.258 4.686 ( -0.560 0.000 -1.809) 1.894 4.823 ( -3.531 0.000 0.610) 3.583 4.906 ( -2.697 0.000 5.585) 6.202 5.050 ( 1.371 0.000 4.663) 4.860 5.107 ( 0.936 0.000 -0.691) 1.163 5.182 ( -0.544 0.000 2.879) 2.930 5.267 ( 0.732 0.000 -2.151) 2.272 5.361 ( 0.668 0.000 0.611) 0.905 5.437 ( 1.377 0.000 0.705) 1.547 5.697 ( 0.261 0.000 -0.392) 0.471 5.791 ( -2.027 0.000 2.931) 3.564 5.799 ( 3.050 0.000 5.746) 6.505 5.863 ( 4.059 0.000 15.772) 16.286 6.598 ( -0.119 0.000 -0.359) 0.379 6.693 ( 0.266 0.000 1.200) 1.229 7.046 ( 0.122 0.000 -2.000) 2.004 7.137 ( 1.133 0.000 -0.250) 1.160 7.394 ( -1.469 0.000 0.643) 1.604 7.436 ( -0.679 0.000 -0.525) 0.858 7.622 ( -1.804 0.000 -0.621) 1.907 7.913 ( 3.149 0.000 5.088) 5.983 8.227 ( -0.558 0.000 0.316) 0.641 8.284 ( 1.712 0.000 0.693) 1.847 8.346 ( 0.160 0.000 0.998) 1.011 8.396 ( 0.503 0.000 -0.335) 0.604 8.442 ( 0.227 0.000 0.346) 0.414 8.522 ( 2.177 0.000 1.452) 2.617 8.531 ( 1.097 0.000 4.514) 4.645 8.567 ( -1.261 0.000 -0.528) 1.367 9.177 ( 0.096 0.000 0.001) 0.096 9.228 ( 0.615 0.000 0.331) 0.698 9.381 ( 0.590 0.000 1.623) 1.727 9.387 ( 0.048 0.000 -0.223) 0.228 ======================= Grid point 53 (24/78) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( -0.318 12.802 9.691) 16.060 0.548 ( 1.018 10.004 16.913) 19.677 0.911 ( -1.949 18.445 19.373) 26.821 1.050 ( 3.746 -6.733 6.330) 9.972 1.129 ( 1.314 -8.898 3.952) 9.825 1.390 ( -1.570 0.872 0.569) 1.884 1.417 ( 3.682 3.300 1.429) 5.147 1.465 ( -0.066 -5.222 -1.122) 5.342 1.528 ( -0.224 4.119 -0.311) 4.137 1.550 ( -0.625 0.500 -4.092) 4.170 1.614 ( 0.127 -6.454 -1.512) 6.630 1.658 ( -0.435 1.545 1.116) 1.955 1.671 ( 1.387 1.965 -0.236) 2.417 1.716 ( -1.480 -4.594 -1.090) 4.948 1.810 ( -0.868 -1.011 -1.215) 1.804 1.832 ( 2.659 0.152 0.493) 2.709 1.890 ( 0.690 -1.920 -0.381) 2.076 1.918 ( 0.037 1.325 2.101) 2.485 1.945 ( -1.808 2.288 2.972) 4.164 1.972 ( -1.339 -4.104 -1.591) 4.601 2.011 ( -1.918 -5.739 2.130) 6.415 2.061 ( 0.765 -0.653 -0.256) 1.038 2.172 ( -0.655 -1.410 1.962) 2.503 2.211 ( 1.809 0.594 -4.130) 4.548 2.233 ( -0.807 -0.690 -0.364) 1.123 2.269 ( 0.052 0.350 -3.233) 3.252 2.285 ( 0.317 2.838 -2.641) 3.889 2.328 ( -3.435 -1.236 -0.139) 3.653 2.382 ( 0.270 -0.638 -0.403) 0.801 2.404 ( -0.491 -1.468 -0.770) 1.730 2.428 ( -3.021 -0.713 -2.232) 3.823 2.448 ( -1.617 -0.554 -1.888) 2.547 2.487 ( -1.341 0.463 -0.884) 1.671 2.561 ( -1.970 2.880 -1.604) 3.840 2.593 ( -0.608 0.429 1.229) 1.437 2.641 ( -2.269 1.448 -0.878) 2.831 2.659 ( -1.345 1.005 -1.174) 2.049 2.711 ( -0.256 -0.451 -1.089) 1.207 2.733 ( 3.856 3.182 -2.499) 5.589 2.772 ( -1.096 -0.115 0.496) 1.209 2.789 ( 0.100 -0.422 -3.161) 3.190 2.811 ( -0.027 -3.395 1.899) 3.890 2.833 ( 3.303 1.430 0.342) 3.616 2.853 ( 2.379 2.229 0.345) 3.278 2.863 ( -3.517 -0.254 -0.118) 3.528 2.956 ( -0.423 1.052 1.695) 2.039 3.007 ( -0.215 0.879 1.345) 1.621 3.013 ( 0.791 -3.860 4.495) 5.977 3.057 ( 2.251 -1.565 -1.391) 3.075 3.095 ( 1.834 2.760 3.188) 4.599 3.168 ( -1.401 -2.153 2.989) 3.941 3.201 ( 0.507 -0.921 0.288) 1.090 3.230 ( 1.232 1.040 0.061) 1.613 3.282 ( 1.506 -0.584 0.628) 1.733 3.314 ( 2.431 -0.981 0.538) 2.677 3.369 ( 1.699 -2.741 0.210) 3.232 3.390 ( 1.829 3.986 2.410) 5.004 3.449 ( -0.867 2.177 1.751) 2.926 3.504 ( -1.843 1.116 -0.610) 2.239 3.538 ( 1.289 2.646 -0.028) 2.943 3.599 ( 1.675 0.013 -4.108) 4.436 3.663 ( 4.887 0.665 -3.805) 6.229 3.750 ( -0.039 -0.930 -0.723) 1.179 3.813 ( 1.645 -3.138 -2.873) 4.561 3.868 ( 1.514 0.735 0.892) 1.905 3.968 ( 0.874 1.566 -0.332) 1.824 3.989 ( -1.793 -1.998 0.314) 2.702 4.057 ( 0.089 -2.485 -0.396) 2.518 4.069 ( -0.452 -1.403 0.244) 1.495 4.096 ( -0.834 -1.486 -0.647) 1.823 4.197 ( 0.507 -0.955 -0.028) 1.081 4.210 ( -1.931 -0.345 -0.966) 2.187 4.534 ( -0.871 3.627 -0.897) 3.836 4.559 ( 1.780 2.416 -1.594) 3.398 4.629 ( 4.505 1.590 -5.120) 7.002 4.656 ( -0.191 0.302 -2.504) 2.530 4.845 ( -3.597 3.072 0.641) 4.773 4.936 ( -1.528 -0.261 4.361) 4.628 5.038 ( -0.107 -1.278 -1.339) 1.854 5.126 ( 0.426 -3.796 2.933) 4.816 5.201 ( 0.855 0.970 -0.699) 1.470 5.232 ( -1.501 -0.079 1.458) 2.094 5.385 ( -0.841 1.379 0.096) 1.618 5.443 ( -0.662 -0.837 0.211) 1.088 5.733 ( 1.296 1.172 1.335) 2.199 5.793 ( -0.136 -1.012 0.799) 1.297 5.823 ( -1.721 0.639 5.088) 5.409 5.986 ( -0.658 -12.191 13.359) 18.097 6.626 ( 0.798 1.155 1.424) 2.000 6.683 ( -1.026 -1.002 0.350) 1.476 6.965 ( -1.416 2.127 -0.495) 2.603 7.100 ( -0.598 -2.638 -3.209) 4.197 7.432 ( -0.048 2.462 -0.880) 2.615 7.454 ( 0.832 2.427 -1.084) 2.785 7.576 ( -6.007 -3.463 1.825) 7.170 7.590 ( -0.547 -1.889 -0.042) 1.967 8.284 ( 0.707 2.186 -1.016) 2.512 8.345 ( -0.364 0.811 -1.105) 1.418 8.370 ( -0.656 3.012 -2.692) 4.093 8.399 ( -0.015 0.445 -0.988) 1.084 8.450 ( -0.592 0.985 -0.193) 1.165 8.519 ( -1.968 -0.877 -0.542) 2.222 8.551 ( 0.959 -1.045 0.905) 1.682 8.574 ( 0.017 -2.635 0.802) 2.754 9.197 ( 0.431 0.729 1.180) 1.452 9.234 ( 0.268 -0.697 0.968) 1.222 9.378 ( -0.171 0.088 -0.247) 0.313 9.399 ( -0.243 -0.362 -0.978) 1.071 ======================= Grid point 54 (25/78) ======================= q-point: ( 0.12 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 1.779 6.105 12.162) 13.724 0.820 ( 3.330 8.462 15.311) 17.808 1.123 ( 2.891 0.047 5.293) 6.031 1.218 ( 2.884 -4.302 4.114) 6.614 1.253 ( 7.080 -7.676 4.479) 11.362 1.394 ( 0.696 1.352 1.385) 2.056 1.441 ( 0.710 -3.625 -0.261) 3.703 1.485 ( 0.375 1.215 -2.515) 2.818 1.487 ( -0.189 5.285 4.785) 7.132 1.515 ( -0.482 -0.925 -1.734) 2.023 1.605 ( 3.017 -7.685 -3.656) 9.029 1.649 ( 2.067 1.702 1.829) 3.242 1.696 ( -0.178 0.263 3.260) 3.275 1.712 ( -3.462 4.806 -3.090) 6.680 1.798 ( -0.810 1.818 0.147) 1.996 1.863 ( -1.295 3.287 0.702) 3.602 1.871 ( 0.064 -2.724 -0.068) 2.726 1.876 ( -0.313 -1.697 -0.010) 1.725 1.921 ( -1.661 -1.881 0.082) 2.510 1.966 ( -0.840 -0.886 -0.192) 1.236 2.030 ( -1.318 -3.130 1.703) 3.799 2.092 ( -2.317 0.484 4.397) 4.994 2.130 ( -2.240 1.401 -3.758) 4.594 2.156 ( -2.789 0.284 -1.991) 3.438 2.207 ( -1.775 -2.449 1.445) 3.352 2.244 ( -0.098 1.679 -2.313) 2.859 2.274 ( 0.918 -0.526 -0.443) 1.147 2.285 ( -0.084 0.375 -0.310) 0.494 2.328 ( -0.117 0.457 -4.107) 4.134 2.354 ( -5.177 -1.163 0.192) 5.309 2.388 ( -0.430 -0.340 -1.939) 2.015 2.410 ( 0.148 -2.747 0.451) 2.787 2.469 ( -2.666 3.247 -1.087) 4.340 2.523 ( -0.954 0.177 1.938) 2.167 2.567 ( -2.738 1.448 -1.275) 3.350 2.625 ( 0.041 -1.257 -0.510) 1.357 2.638 ( 1.022 -4.101 0.693) 4.283 2.664 ( 1.599 3.289 -2.515) 4.438 2.697 ( -1.991 0.659 -1.984) 2.887 2.728 ( -2.217 2.742 -0.353) 3.543 2.775 ( -0.799 -2.932 -0.225) 3.047 2.856 ( 1.615 -0.449 0.829) 1.870 2.868 ( 2.390 -0.031 -1.822) 3.006 2.887 ( 2.807 0.820 1.999) 3.543 2.926 ( 1.723 0.469 3.248) 3.707 2.996 ( -0.669 -0.805 3.189) 3.356 3.011 ( 0.588 0.077 1.699) 1.800 3.061 ( 0.433 -0.030 0.523) 0.680 3.086 ( 1.701 -2.182 0.122) 2.769 3.144 ( -0.330 -2.044 1.643) 2.643 3.181 ( 0.354 -0.661 -1.403) 1.590 3.212 ( 0.866 -2.524 0.635) 2.743 3.253 ( 1.757 3.525 0.016) 3.939 3.312 ( 2.212 0.811 -0.570) 2.425 3.357 ( 3.489 0.040 -1.137) 3.669 3.413 ( -2.984 3.471 1.251) 4.745 3.420 ( 2.221 -3.747 2.314) 4.932 3.437 ( -1.749 2.200 1.750) 3.311 3.499 ( 1.554 2.380 1.004) 3.015 3.544 ( 0.687 2.928 -0.961) 3.158 3.595 ( 1.958 -0.981 -1.182) 2.488 3.662 ( 3.671 1.163 -6.196) 7.295 3.726 ( -0.885 -1.271 -2.411) 2.865 3.774 ( 1.237 -2.676 -4.331) 5.239 3.877 ( -3.036 2.264 0.780) 3.867 3.961 ( -1.754 -0.772 -1.056) 2.188 3.986 ( 1.815 -0.299 -0.181) 1.848 4.050 ( -1.257 -2.086 0.487) 2.484 4.052 ( -0.786 -2.156 -1.109) 2.549 4.109 ( 1.747 0.438 0.838) 1.987 4.170 ( -0.245 0.601 -1.733) 1.851 4.206 ( 1.379 -1.741 -0.981) 2.428 4.511 ( -0.713 1.469 -0.339) 1.668 4.574 ( 2.026 0.445 -1.351) 2.475 4.614 ( 0.610 0.784 -3.295) 3.441 4.632 ( 2.532 0.561 -3.558) 4.403 4.818 ( -3.062 3.178 2.861) 5.259 4.963 ( -2.610 -1.612 4.127) 5.142 5.014 ( -0.329 1.367 -1.568) 2.106 5.134 ( -1.530 -2.931 -0.306) 3.320 5.206 ( -0.283 1.086 -0.588) 1.268 5.236 ( 0.435 -0.175 1.871) 1.929 5.380 ( -0.993 0.375 1.551) 1.880 5.425 ( -1.671 -1.089 0.013) 1.995 5.757 ( 0.639 0.921 0.472) 1.216 5.789 ( 0.137 -0.317 -0.703) 0.784 5.889 ( -1.998 0.816 7.687) 7.984 6.049 ( -6.233 -7.396 6.029) 11.397 6.665 ( -1.169 0.096 0.561) 1.300 6.676 ( 1.339 -0.594 2.930) 3.275 6.951 ( 0.551 1.367 -1.051) 1.810 7.030 ( -2.097 -1.388 -4.194) 4.890 7.417 ( -0.094 2.766 -0.743) 2.866 7.463 ( 1.877 2.118 -0.708) 2.918 7.534 ( -1.928 -1.332 0.911) 2.514 7.608 ( 2.058 -2.489 0.339) 3.248 8.276 ( -0.227 3.655 -1.224) 3.861 8.313 ( -0.003 2.574 -1.044) 2.778 8.351 ( -1.345 -0.003 -0.090) 1.348 8.391 ( 0.123 0.689 -0.453) 0.834 8.433 ( -1.427 -0.929 0.388) 1.747 8.480 ( -2.132 -0.838 -0.231) 2.302 8.570 ( 0.575 -0.797 0.137) 0.992 8.581 ( 0.221 -1.568 0.436) 1.643 9.223 ( 0.305 0.539 1.735) 1.842 9.251 ( 0.083 -0.549 1.105) 1.237 9.364 ( -0.774 0.096 -0.865) 1.165 9.379 ( -0.335 -0.168 -1.017) 1.084 ======================= Grid point 55 (26/78) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 2.303 2.362 8.122) 8.766 0.980 ( 1.102 2.082 2.435) 3.388 1.149 ( -1.540 -3.580 2.127) 4.439 1.232 ( 3.475 0.368 -0.402) 3.518 1.322 ( -2.968 -0.480 -4.578) 5.477 1.367 ( -4.718 2.892 -7.529) 9.344 1.426 ( 2.212 -4.472 0.925) 5.074 1.474 ( 3.237 0.592 2.182) 3.949 1.490 ( 1.857 -3.394 1.378) 4.107 1.531 ( -2.901 0.799 -5.235) 6.038 1.635 ( 3.112 -2.239 -1.149) 4.003 1.660 ( -1.484 -2.433 1.461) 3.202 1.705 ( -0.223 -0.838 1.004) 1.326 1.755 ( -0.273 3.127 0.595) 3.195 1.795 ( -1.810 1.614 3.249) 4.055 1.812 ( 0.384 -1.786 -1.434) 2.323 1.867 ( -0.956 4.028 -0.452) 4.164 1.899 ( -0.772 0.902 2.463) 2.735 1.927 ( -1.729 -3.082 3.798) 5.188 1.978 ( 0.808 -2.058 3.564) 4.194 2.028 ( -0.270 -5.266 0.979) 5.363 2.064 ( -2.131 0.266 -1.760) 2.777 2.101 ( -0.659 1.475 4.791) 5.056 2.134 ( 0.223 0.889 -1.168) 1.485 2.188 ( 0.663 0.938 0.187) 1.164 2.200 ( 0.194 -1.024 -4.166) 4.295 2.266 ( -5.161 -0.861 2.251) 5.695 2.270 ( 0.202 -1.940 -1.442) 2.426 2.316 ( 0.648 4.582 2.295) 5.165 2.353 ( 0.303 2.030 -2.555) 3.278 2.389 ( 4.046 -1.214 2.761) 5.047 2.434 ( -0.105 -0.397 2.001) 2.042 2.463 ( -0.174 4.808 5.074) 6.992 2.476 ( -1.877 1.395 0.016) 2.338 2.569 ( -1.828 -2.791 -0.419) 3.362 2.632 ( -0.067 -0.072 0.630) 0.638 2.651 ( 0.859 -1.059 1.776) 2.239 2.667 ( 1.612 2.429 -0.246) 2.925 2.689 ( 1.760 0.656 -1.326) 2.299 2.748 ( 4.443 -0.615 0.725) 4.543 2.763 ( -0.414 -1.846 0.317) 1.918 2.842 ( -0.200 -0.160 -3.218) 3.228 2.891 ( 1.508 0.714 1.095) 1.996 2.954 ( 0.690 -0.000 1.874) 1.997 2.968 ( -0.265 0.710 2.640) 2.746 3.006 ( 0.038 -2.073 0.503) 2.134 3.042 ( -0.603 0.004 0.831) 1.026 3.063 ( -1.009 -0.998 -2.826) 3.162 3.088 ( 1.682 -0.540 -1.318) 2.204 3.118 ( -2.972 -2.216 0.475) 3.737 3.174 ( 0.857 -1.047 -0.383) 1.406 3.227 ( 1.842 -0.901 -1.068) 2.312 3.263 ( 1.249 2.479 -1.845) 3.333 3.313 ( -1.157 0.070 -1.899) 2.225 3.376 ( 1.989 0.349 -2.348) 3.097 3.396 ( 2.081 1.272 -1.680) 2.962 3.417 ( -1.945 0.646 1.106) 2.329 3.483 ( 2.539 0.665 -0.657) 2.706 3.525 ( -0.659 -0.793 -0.904) 1.371 3.556 ( 2.070 1.466 -0.140) 2.541 3.611 ( 1.520 -0.300 0.167) 1.558 3.638 ( -0.271 -0.431 -0.014) 0.509 3.678 ( -0.236 -0.525 -2.345) 2.415 3.748 ( 0.712 -0.630 -2.546) 2.718 3.839 ( -2.778 3.302 1.890) 4.711 3.911 ( -1.594 0.298 -2.469) 2.953 4.005 ( -3.257 -0.216 -0.751) 3.350 4.017 ( 1.530 -0.477 0.882) 1.829 4.044 ( -0.133 -0.535 -0.343) 0.649 4.140 ( 0.410 1.962 0.856) 2.180 4.172 ( 3.000 0.228 -1.406) 3.321 4.216 ( 1.208 -1.702 -0.263) 2.104 4.505 ( -0.137 -1.619 0.247) 1.643 4.562 ( -0.340 -1.426 -2.072) 2.538 4.601 ( 2.349 0.712 -2.104) 3.232 4.630 ( 2.121 0.188 -2.045) 2.952 4.819 ( -2.811 2.815 3.705) 5.436 4.957 ( -2.956 -1.531 1.544) 3.669 4.990 ( -2.442 1.887 0.836) 3.197 5.098 ( -1.304 -2.330 -1.196) 2.926 5.188 ( 0.160 2.445 -1.226) 2.740 5.273 ( 0.702 -0.815 1.625) 1.949 5.393 ( -0.785 -0.526 2.068) 2.273 5.401 ( -1.582 -0.760 0.254) 1.774 5.770 ( 0.345 0.481 0.379) 0.702 5.786 ( 0.828 -0.023 -0.828) 1.171 5.930 ( -3.552 0.334 4.809) 5.988 5.998 ( -6.472 -2.575 1.839) 7.204 6.654 ( -0.898 1.499 0.532) 1.826 6.741 ( 1.548 -2.093 2.680) 3.736 6.943 ( -1.443 -0.184 -1.978) 2.455 6.950 ( -0.604 -0.301 -1.506) 1.650 7.415 ( 0.424 2.393 -0.125) 2.433 7.483 ( 2.063 1.495 -1.065) 2.761 7.530 ( -0.519 -0.230 1.265) 1.386 7.653 ( 2.432 -3.028 1.069) 4.028 8.257 ( -0.223 3.426 -0.789) 3.522 8.313 ( 0.500 1.586 -0.190) 1.673 8.329 ( -1.097 -0.308 -0.183) 1.154 8.376 ( -2.090 1.940 0.290) 2.866 8.426 ( -0.054 -2.402 0.196) 2.411 8.461 ( -0.894 -1.027 0.810) 1.584 8.574 ( 0.088 -0.489 -0.152) 0.519 8.588 ( 0.172 -1.188 0.058) 1.201 9.243 ( -0.222 0.108 1.055) 1.083 9.259 ( -0.173 -0.418 0.015) 0.453 9.342 ( -0.839 0.493 -0.334) 1.029 9.364 ( -0.226 -0.301 -0.663) 0.763 ======================= Grid point 56 (27/78) ======================= q-point: ( 0.38 0.25 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 3.880 0.931 3.572) 5.356 1.006 ( 5.556 -1.975 -1.014) 5.984 1.154 ( -3.972 -1.214 -0.699) 4.212 1.180 ( -1.912 5.706 -5.098) 7.887 1.230 ( -1.425 -1.071 0.694) 1.912 1.369 ( 2.208 6.645 5.526) 8.920 1.399 ( -0.458 -0.553 -5.970) 6.013 1.423 ( -4.155 3.686 1.754) 5.825 1.545 ( 3.446 -4.799 -1.380) 6.067 1.579 ( -1.039 2.535 3.374) 4.346 1.594 ( 2.093 -3.804 -5.571) 7.063 1.646 ( -0.638 -3.643 -1.005) 3.833 1.699 ( 0.827 -4.104 3.987) 5.781 1.717 ( 0.141 -5.000 -1.319) 5.173 1.794 ( -2.668 0.482 0.123) 2.714 1.834 ( 0.411 -1.360 0.925) 1.695 1.862 ( -2.857 0.794 2.793) 4.074 1.905 ( -1.627 0.302 1.937) 2.547 1.943 ( -1.769 -1.262 -0.414) 2.213 1.959 ( -1.457 -1.498 0.156) 2.096 2.030 ( -0.581 -2.253 0.097) 2.329 2.070 ( 1.326 -2.187 -1.069) 2.772 2.094 ( 1.048 -0.332 -3.120) 3.308 2.142 ( -0.119 -2.129 -2.226) 3.082 2.183 ( 0.527 2.099 1.637) 2.714 2.211 ( -2.914 -1.231 1.320) 3.428 2.258 ( 0.541 -3.422 -1.418) 3.743 2.265 ( 1.834 2.721 1.022) 3.437 2.337 ( -2.113 3.136 2.743) 4.672 2.370 ( 2.368 2.487 1.968) 3.958 2.432 ( -0.265 1.504 -0.139) 1.533 2.462 ( -1.271 3.276 1.842) 3.967 2.480 ( 0.181 2.053 2.009) 2.878 2.527 ( -2.378 1.311 0.889) 2.857 2.597 ( 4.617 2.852 5.805) 7.947 2.632 ( 0.345 -2.123 0.308) 2.173 2.639 ( -0.800 3.463 -2.121) 4.139 2.706 ( 0.219 -0.325 -1.676) 1.721 2.731 ( 1.774 1.092 2.388) 3.169 2.741 ( -0.615 -2.762 -0.859) 2.957 2.810 ( 1.824 -1.120 -1.585) 2.663 2.815 ( 1.909 -0.342 -0.528) 2.010 2.896 ( -1.847 0.455 -1.765) 2.595 2.921 ( -2.489 1.035 -0.823) 2.819 2.996 ( 0.543 -0.284 -0.450) 0.760 3.002 ( 0.596 -0.655 -2.084) 2.265 3.015 ( 0.107 -0.427 1.265) 1.340 3.056 ( 1.434 0.891 0.513) 1.765 3.078 ( -2.921 -4.393 1.264) 5.424 3.126 ( 3.016 -0.248 -0.499) 3.067 3.173 ( -0.775 0.065 -1.031) 1.291 3.248 ( 1.585 -1.299 0.278) 2.068 3.252 ( 0.991 2.601 -2.197) 3.546 3.268 ( -0.768 -1.087 -1.215) 1.802 3.344 ( 1.562 0.937 -4.359) 4.724 3.407 ( 1.138 -3.068 -0.782) 3.364 3.417 ( 1.186 0.292 -2.630) 2.900 3.488 ( 2.519 -1.098 -4.092) 4.929 3.496 ( 0.718 3.818 -0.136) 3.887 3.552 ( -0.002 -0.764 -2.284) 2.409 3.616 ( -1.414 -2.878 1.482) 3.533 3.658 ( -0.413 1.476 0.634) 1.659 3.700 ( 0.288 0.173 4.830) 4.842 3.731 ( 0.668 -0.021 -0.612) 0.906 3.850 ( 0.578 2.105 -0.801) 2.325 3.865 ( -1.718 2.090 1.500) 3.094 3.943 ( -3.237 1.396 -0.766) 3.607 4.031 ( 0.152 -1.031 -0.899) 1.376 4.056 ( 1.474 2.176 0.766) 2.737 4.147 ( 0.077 1.565 0.184) 1.577 4.198 ( 1.946 -0.534 -1.156) 2.326 4.236 ( 0.472 -0.965 1.224) 1.629 4.503 ( 0.139 -2.612 -1.137) 2.853 4.547 ( 0.854 -3.239 0.074) 3.351 4.610 ( 2.022 0.951 -1.998) 2.998 4.643 ( 1.545 -0.218 -0.376) 1.605 4.825 ( -3.019 1.764 4.097) 5.386 4.929 ( -4.191 -1.486 2.513) 5.107 4.964 ( -1.646 2.565 0.829) 3.159 5.080 ( 0.125 -2.249 -0.235) 2.264 5.183 ( 0.900 2.909 -0.998) 3.204 5.291 ( -0.187 -1.168 0.485) 1.279 5.380 ( -1.029 0.023 -0.108) 1.035 5.402 ( -1.162 -0.692 0.872) 1.609 5.778 ( 0.528 0.084 -0.129) 0.550 5.794 ( 1.363 -0.008 -0.639) 1.505 5.910 ( -3.807 -0.102 0.771) 3.885 5.925 ( -4.547 -0.480 0.309) 4.582 6.645 ( -0.410 2.219 -0.664) 2.352 6.771 ( 0.471 -2.766 -0.771) 2.910 6.903 ( -0.982 0.660 0.734) 1.393 6.956 ( -0.313 -1.466 2.094) 2.575 7.424 ( 0.369 2.150 0.544) 2.248 7.495 ( 1.429 0.600 -0.938) 1.811 7.547 ( -0.392 1.094 2.138) 2.433 7.698 ( 1.011 -3.558 1.670) 4.059 8.253 ( 0.680 2.708 -0.233) 2.802 8.311 ( -1.331 0.156 0.610) 1.472 8.320 ( 0.454 1.458 -0.386) 1.575 8.349 ( -1.945 1.621 0.652) 2.614 8.428 ( 0.316 -1.521 -0.356) 1.594 8.464 ( -0.694 -1.669 0.939) 2.037 8.572 ( -0.017 -0.435 -0.175) 0.469 8.588 ( -0.019 -1.158 -0.159) 1.169 9.240 ( -0.207 -0.244 -0.764) 0.828 9.250 ( -0.047 -0.298 -0.944) 0.991 9.335 ( -0.659 0.684 0.914) 1.318 9.358 ( -0.100 -0.234 0.270) 0.371 ======================= Grid point 57 (28/78) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -1.495 2.582 6.036) 6.733 1.039 ( -4.687 4.572 -1.035) 6.628 1.096 ( 1.915 -1.564 -0.293) 2.490 1.162 ( 6.715 5.146 -0.238) 8.463 1.267 ( 1.346 -3.846 4.146) 5.813 1.345 ( -0.179 -0.296 1.646) 1.682 1.363 ( 0.262 3.717 -4.198) 5.613 1.485 ( 0.975 4.084 4.189) 5.931 1.520 ( -3.792 0.007 -1.340) 4.021 1.583 ( 3.846 -3.774 -2.303) 5.859 1.600 ( 0.827 -5.016 0.427) 5.102 1.660 ( 0.161 -0.385 1.868) 1.914 1.719 ( 1.014 -6.417 1.352) 6.636 1.747 ( 0.046 -1.216 1.904) 2.260 1.812 ( -0.084 -1.588 4.176) 4.469 1.826 ( -0.823 1.916 -2.634) 3.359 1.859 ( -0.620 -0.964 1.732) 2.077 1.901 ( -0.968 -0.037 -0.725) 1.210 1.914 ( -1.660 -0.453 -2.326) 2.894 1.942 ( 0.282 -3.787 3.773) 5.354 2.006 ( -0.964 -0.730 -3.722) 3.914 2.037 ( -0.956 -2.845 -4.569) 5.466 2.073 ( 1.952 2.788 -0.490) 3.438 2.128 ( -1.037 -2.356 -1.569) 3.015 2.172 ( 0.110 -0.921 -0.440) 1.027 2.218 ( -1.636 -2.017 -0.044) 2.597 2.238 ( -2.227 -0.852 -1.631) 2.889 2.254 ( 1.001 -1.274 -1.659) 2.319 2.336 ( -1.409 5.052 2.992) 6.039 2.399 ( -0.328 4.701 -0.276) 4.720 2.437 ( -1.442 3.280 -1.126) 3.755 2.453 ( -3.379 0.994 -0.503) 3.558 2.467 ( -1.595 1.512 -0.236) 2.210 2.489 ( -0.407 -1.280 -0.354) 1.389 2.555 ( -5.137 -1.208 -2.595) 5.881 2.621 ( 0.425 3.537 0.156) 3.565 2.628 ( -0.360 -1.857 0.175) 1.900 2.713 ( -0.745 3.299 -2.539) 4.229 2.757 ( -0.811 0.123 -0.041) 0.821 2.771 ( 0.291 -2.207 1.629) 2.759 2.782 ( 2.842 -1.218 -1.154) 3.300 2.859 ( -0.007 0.464 -0.234) 0.519 2.880 ( 1.858 -0.932 -1.883) 2.805 2.910 ( 0.154 -1.553 0.991) 1.849 2.953 ( -1.154 -0.685 -0.699) 1.513 3.001 ( 0.307 -0.922 -1.053) 1.433 3.025 ( 0.746 -0.160 -0.229) 0.797 3.058 ( 0.663 0.494 1.342) 1.576 3.096 ( -0.208 0.642 1.254) 1.424 3.137 ( -0.167 -2.655 -1.677) 3.144 3.174 ( 0.437 2.699 1.156) 2.969 3.224 ( 1.941 2.476 -3.544) 4.739 3.260 ( 0.493 0.410 -0.543) 0.840 3.274 ( 1.542 1.065 -0.628) 1.976 3.334 ( -0.104 -0.986 -0.625) 1.172 3.390 ( 1.467 -3.258 -3.030) 4.684 3.413 ( 3.166 -1.290 -2.833) 4.440 3.492 ( 3.169 -2.450 -3.610) 5.392 3.521 ( 0.347 3.762 1.865) 4.213 3.541 ( 1.227 -0.013 -0.105) 1.231 3.613 ( -1.270 -3.367 1.136) 3.773 3.650 ( 0.268 2.751 -0.419) 2.796 3.733 ( 0.609 -1.419 0.992) 1.835 3.772 ( -1.050 -1.111 4.136) 4.409 3.817 ( -0.374 5.494 -2.379) 5.999 3.887 ( -0.896 2.275 2.860) 3.762 3.923 ( 1.053 2.368 0.892) 2.741 4.022 ( 0.604 -1.084 -1.022) 1.608 4.083 ( -0.136 2.211 1.629) 2.749 4.149 ( -0.346 0.152 -0.003) 0.378 4.198 ( 0.445 -1.159 -1.134) 1.681 4.251 ( -0.087 -0.657 0.371) 0.760 4.491 ( 0.186 -1.937 -0.664) 2.056 4.581 ( 1.604 -3.412 1.512) 4.062 4.607 ( 1.760 1.140 -2.552) 3.303 4.660 ( 0.922 -0.963 0.056) 1.335 4.838 ( -3.075 0.709 4.969) 5.886 4.903 ( -3.852 -1.068 3.261) 5.159 4.977 ( 0.767 2.713 1.779) 3.334 5.089 ( 0.620 -2.272 0.512) 2.410 5.186 ( 0.816 2.711 -0.687) 2.914 5.280 ( -0.958 -1.123 -0.764) 1.662 5.367 ( -0.202 0.214 -0.533) 0.609 5.380 ( -1.346 -0.219 -0.964) 1.670 5.783 ( 0.561 -0.007 -0.417) 0.699 5.807 ( 2.225 -0.257 -1.618) 2.763 5.855 ( -2.569 0.066 -1.004) 2.759 5.872 ( -2.686 0.029 -0.682) 2.772 6.629 ( 0.130 1.967 -1.059) 2.238 6.739 ( -0.928 -2.290 -3.141) 3.996 6.933 ( 0.832 0.449 3.640) 3.760 6.986 ( -0.529 -1.785 3.100) 3.616 7.437 ( -0.185 2.230 1.150) 2.516 7.504 ( 0.888 0.982 -0.454) 1.400 7.569 ( -1.302 0.595 3.269) 3.569 7.716 ( -1.542 -3.744 1.450) 4.301 8.268 ( 1.056 2.291 0.234) 2.534 8.303 ( -0.828 1.035 1.044) 1.687 8.325 ( 0.736 1.789 0.054) 1.936 8.336 ( -0.996 1.049 0.440) 1.512 8.428 ( 0.446 -1.123 -0.400) 1.273 8.457 ( -1.118 -1.708 0.130) 2.046 8.571 ( 0.233 -0.600 -0.198) 0.674 8.586 ( 0.028 -1.303 -0.318) 1.341 9.226 ( 0.130 -0.112 -1.325) 1.336 9.236 ( 0.413 -0.186 -1.561) 1.625 9.343 ( -0.310 0.611 1.400) 1.558 9.366 ( 0.110 -0.270 0.852) 0.901 ======================= Grid point 58 (29/78) ======================= q-point: (-0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -8.268 10.170 -5.677) 14.284 0.959 ( -16.756 5.636 7.453) 19.185 1.144 ( 2.346 -0.516 -0.196) 2.410 1.299 ( 3.792 -2.167 1.943) 4.780 1.340 ( 4.252 3.746 -2.257) 6.100 1.382 ( 5.682 -2.295 3.373) 6.995 1.405 ( -5.946 -3.563 -3.354) 7.701 1.445 ( 4.285 -3.340 4.370) 6.972 1.487 ( -2.464 -5.293 0.139) 5.840 1.575 ( -3.964 0.910 -1.099) 4.213 1.639 ( -9.447 4.038 -3.789) 10.950 1.658 ( 0.918 2.129 1.083) 2.559 1.730 ( 3.867 1.029 0.035) 4.002 1.752 ( -1.650 -4.141 1.658) 4.755 1.774 ( -1.551 1.803 -1.187) 2.658 1.823 ( 3.736 -2.132 -0.614) 4.345 1.853 ( -3.180 -0.384 -1.764) 3.657 1.902 ( -0.260 1.502 1.423) 2.086 1.916 ( 0.344 -2.263 -1.558) 2.769 1.933 ( 0.963 0.573 -0.591) 1.267 1.975 ( 0.062 -3.033 2.797) 4.126 2.014 ( 0.831 -3.338 -0.960) 3.571 2.065 ( 2.726 -1.713 -2.658) 4.176 2.112 ( 0.806 -1.708 1.368) 2.332 2.166 ( -0.073 0.107 -0.864) 0.873 2.186 ( 1.875 -1.087 -0.667) 2.268 2.227 ( 0.900 0.816 -0.309) 1.254 2.279 ( 1.960 -0.845 -0.402) 2.171 2.328 ( -1.595 0.763 -1.124) 2.096 2.375 ( 0.625 1.838 -0.375) 1.978 2.381 ( -2.365 2.256 1.588) 3.633 2.416 ( 0.017 2.457 1.088) 2.687 2.455 ( -0.706 -0.731 1.693) 1.975 2.493 ( -1.342 -2.295 0.462) 2.698 2.546 ( 3.279 -1.121 0.529) 3.505 2.605 ( -0.892 -0.687 -0.501) 1.232 2.637 ( -1.220 2.705 0.487) 3.008 2.654 ( -1.906 0.732 -0.509) 2.104 2.742 ( -1.279 0.842 1.159) 1.921 2.773 ( -0.987 -0.376 0.012) 1.056 2.802 ( -1.517 -1.581 -1.304) 2.550 2.816 ( 1.969 -1.259 -2.188) 3.202 2.869 ( -0.757 -0.294 -1.140) 1.400 2.908 ( -0.577 -2.017 -0.371) 2.130 2.970 ( 1.222 1.930 -0.335) 2.308 2.983 ( -0.241 -2.922 -0.279) 2.946 3.026 ( 0.784 -2.241 -2.375) 3.358 3.079 ( -2.099 0.888 0.455) 2.324 3.096 ( 0.458 0.488 -2.214) 2.313 3.129 ( 0.648 -0.005 0.440) 0.783 3.169 ( -0.207 1.163 0.030) 1.182 3.239 ( 1.948 2.794 -1.418) 3.689 3.256 ( 0.287 2.357 0.073) 2.375 3.283 ( 1.345 1.434 -0.952) 2.184 3.321 ( 0.898 -1.662 -1.877) 2.663 3.380 ( 0.913 -2.283 -1.566) 2.915 3.420 ( 1.421 -0.215 -2.596) 2.967 3.451 ( -1.335 -2.170 -4.136) 4.858 3.531 ( -1.701 3.431 1.111) 3.988 3.567 ( 1.518 1.010 -0.305) 1.848 3.626 ( -0.131 -2.696 2.105) 3.423 3.668 ( 2.364 1.122 -0.325) 2.637 3.745 ( 0.043 -0.439 -0.165) 0.471 3.791 ( 2.356 5.093 -2.915) 6.324 3.806 ( 0.893 0.280 1.970) 2.181 3.928 ( 1.076 2.905 1.766) 3.566 3.962 ( 0.683 1.662 3.432) 3.874 4.034 ( 1.161 -2.001 0.803) 2.449 4.084 ( -2.229 -0.273 0.671) 2.344 4.139 ( -0.546 -0.597 0.519) 0.962 4.191 ( -0.196 -0.534 -0.218) 0.610 4.246 ( 0.543 -1.245 -1.213) 1.821 4.495 ( 0.377 -0.033 0.555) 0.671 4.595 ( 1.256 2.871 -1.734) 3.581 4.628 ( 1.817 -4.753 0.575) 5.121 4.673 ( 1.020 -1.328 -0.233) 1.691 4.857 ( -3.678 0.328 5.722) 6.809 4.901 ( -2.043 -0.216 3.129) 3.743 5.014 ( 0.586 1.912 1.671) 2.606 5.107 ( 0.783 -2.104 0.362) 2.273 5.183 ( 0.329 1.773 -1.201) 2.167 5.248 ( -1.086 -0.886 -1.351) 1.947 5.348 ( -0.129 0.722 -0.691) 1.008 5.374 ( 1.150 -0.097 -0.265) 1.184 5.778 ( 0.555 0.153 -2.315) 2.386 5.800 ( 1.619 -0.128 -4.987) 5.245 5.811 ( -1.886 0.521 -0.300) 1.979 5.838 ( -1.514 -0.621 0.939) 1.887 6.630 ( 0.872 0.894 0.185) 1.262 6.679 ( -1.405 -0.959 -3.063) 3.504 7.002 ( 1.012 -0.731 3.252) 3.483 7.015 ( 0.243 -1.206 2.713) 2.979 7.445 ( -0.841 2.599 1.353) 3.048 7.503 ( -0.305 1.860 -0.594) 1.976 7.598 ( -2.070 -1.420 5.348) 5.908 7.692 ( -3.218 -3.221 0.618) 4.595 8.284 ( 0.309 3.122 0.923) 3.271 8.312 ( 0.537 0.358 -0.446) 0.784 8.328 ( -0.497 1.448 0.860) 1.756 8.351 ( 1.867 1.994 0.946) 2.891 8.434 ( 0.648 -0.997 0.161) 1.200 8.441 ( -0.695 -1.340 -0.005) 1.509 8.572 ( 0.221 -0.924 -0.355) 1.014 8.576 ( -0.186 -1.273 -1.065) 1.670 9.209 ( -0.054 0.317 -1.346) 1.384 9.225 ( 0.803 -0.254 -1.540) 1.755 9.359 ( 0.068 0.451 1.239) 1.320 9.379 ( 0.219 -0.268 0.686) 0.768 ======================= Grid point 59 (30/78) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -10.638 13.241 -3.596) 17.362 0.769 ( -18.252 9.706 4.243) 21.103 1.109 ( -14.489 -0.034 -6.844) 16.024 1.159 ( -9.320 2.433 -0.565) 9.648 1.252 ( -11.169 -1.903 -7.264) 13.459 1.327 ( 1.375 -0.032 -1.344) 1.923 1.400 ( 2.612 1.886 -1.482) 3.546 1.468 ( 0.405 -6.675 1.612) 6.879 1.494 ( 2.314 3.001 2.019) 4.293 1.578 ( 1.857 -0.519 3.606) 4.089 1.622 ( -0.408 0.181 0.078) 0.453 1.672 ( -0.283 -0.555 -0.274) 0.681 1.716 ( -2.674 -2.521 -1.491) 3.966 1.722 ( 0.605 2.279 -0.744) 2.472 1.782 ( -0.208 -5.897 -1.466) 6.080 1.818 ( 3.156 -1.186 0.747) 3.453 1.847 ( 1.687 -0.007 -1.939) 2.570 1.895 ( -0.876 -3.929 0.675) 4.082 1.926 ( -0.993 4.574 3.030) 5.575 1.956 ( 1.747 -4.604 1.039) 5.033 2.008 ( -0.214 -1.114 0.254) 1.162 2.077 ( 6.851 -0.402 -1.062) 6.945 2.082 ( 0.809 -3.428 -3.583) 5.024 2.137 ( 2.597 -0.683 1.168) 2.928 2.175 ( 2.807 -0.414 0.987) 3.004 2.232 ( 1.084 -0.912 1.909) 2.377 2.264 ( -0.203 2.218 2.686) 3.490 2.278 ( 2.883 -0.136 -0.697) 2.969 2.359 ( 3.564 0.211 1.975) 4.081 2.399 ( 1.353 1.783 1.826) 2.888 2.414 ( 2.196 -0.986 3.162) 3.974 2.443 ( -0.039 2.000 1.508) 2.506 2.489 ( 2.534 -0.115 2.672) 3.684 2.510 ( -0.535 -2.151 1.309) 2.574 2.596 ( 2.884 -1.850 0.429) 3.453 2.606 ( 0.476 -1.866 2.580) 3.219 2.629 ( 1.669 3.786 -0.952) 4.245 2.652 ( -0.497 2.647 1.509) 3.087 2.708 ( -3.327 -0.537 -1.571) 3.718 2.759 ( 0.325 0.358 2.113) 2.168 2.793 ( -0.055 -2.126 -1.448) 2.573 2.811 ( -0.237 -0.994 0.470) 1.125 2.859 ( -1.895 -2.237 -1.544) 3.313 2.898 ( 2.627 -1.473 0.380) 3.036 2.933 ( -1.908 0.046 -2.130) 2.859 2.986 ( -1.157 -0.363 -1.948) 2.295 2.997 ( -0.850 -1.818 0.180) 2.015 3.047 ( -1.359 1.082 -1.753) 2.468 3.065 ( -0.685 2.923 -1.223) 3.242 3.120 ( -2.635 0.625 -0.104) 2.710 3.159 ( 1.710 -0.980 -3.037) 3.620 3.222 ( -1.543 0.014 0.076) 1.545 3.252 ( -2.110 0.152 -0.748) 2.243 3.292 ( 0.882 0.002 -1.482) 1.724 3.316 ( 1.661 1.818 -1.450) 2.858 3.369 ( -0.288 1.072 -2.428) 2.670 3.387 ( 0.678 -1.570 -1.891) 2.550 3.392 ( -1.134 0.069 -2.028) 2.325 3.515 ( -1.625 1.766 0.887) 2.558 3.575 ( 0.800 2.591 -1.198) 2.964 3.629 ( -1.169 -2.011 0.065) 2.327 3.689 ( 1.730 1.622 -1.889) 3.032 3.752 ( 2.869 2.670 -2.357) 4.573 3.802 ( 2.509 0.471 -2.132) 3.326 3.828 ( 1.001 2.929 -0.417) 3.123 3.968 ( 1.497 1.917 1.540) 2.879 4.012 ( -0.535 -2.743 1.988) 3.429 4.049 ( -1.129 -1.609 1.801) 2.666 4.067 ( 0.404 -1.287 0.335) 1.390 4.139 ( -1.551 -2.039 0.883) 2.710 4.198 ( 0.426 0.075 1.415) 1.479 4.234 ( 0.361 -2.217 -1.970) 2.988 4.512 ( 0.724 1.833 0.740) 2.106 4.596 ( 1.954 3.486 -1.998) 4.468 4.644 ( 0.400 -3.546 -0.927) 3.687 4.684 ( 1.817 -1.348 -1.459) 2.692 4.875 ( -3.773 0.031 5.790) 6.911 4.916 ( -0.749 0.498 2.246) 2.419 5.027 ( -1.044 1.296 1.179) 2.039 5.105 ( -0.445 -1.828 -1.501) 2.407 5.173 ( 0.532 0.984 -0.594) 1.266 5.231 ( 0.260 -1.431 -0.196) 1.468 5.362 ( 1.170 1.588 1.196) 2.307 5.398 ( 1.967 -0.254 0.311) 2.008 5.735 ( -0.513 0.496 -3.096) 3.177 5.748 ( 0.419 -0.108 -4.595) 4.615 5.796 ( -1.907 0.599 1.910) 2.764 5.832 ( -1.441 -0.748 1.072) 1.945 6.630 ( -0.846 0.559 -1.625) 1.916 6.656 ( 1.076 -0.403 1.133) 1.614 7.016 ( -1.199 -0.752 1.130) 1.811 7.079 ( 2.319 -1.858 2.058) 3.614 7.446 ( -1.016 2.916 0.907) 3.219 7.483 ( -0.959 2.176 -0.740) 2.491 7.635 ( -3.717 -3.861 4.511) 7.005 7.650 ( -3.056 -3.141 2.777) 5.188 8.298 ( -0.048 1.042 -0.642) 1.224 8.317 ( 1.808 2.938 0.967) 3.583 8.347 ( 1.203 2.890 1.084) 3.313 8.391 ( 1.463 1.074 0.653) 1.928 8.435 ( -0.011 -0.483 0.386) 0.618 8.464 ( 1.873 -0.693 1.247) 2.355 8.548 ( -0.836 -0.728 -1.866) 2.170 8.569 ( -0.098 -1.208 -0.494) 1.308 9.193 ( -0.106 0.645 -0.948) 1.151 9.219 ( 0.616 -0.424 -0.967) 1.223 9.373 ( 0.133 0.396 0.624) 0.751 9.389 ( 0.344 -0.061 0.247) 0.428 ======================= Grid point 60 (31/78) ======================= q-point: (-0.12 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( -13.601 12.482 1.646) 18.533 0.527 ( -11.759 16.152 -0.735) 19.993 0.828 ( -16.600 17.804 12.316) 27.281 1.035 ( -6.731 -5.829 -1.310) 9.000 1.115 ( -2.729 -6.328 0.585) 6.916 1.346 ( 2.925 3.161 0.116) 4.308 1.406 ( 0.494 -0.087 -0.879) 1.013 1.478 ( -0.090 -6.444 -0.563) 6.469 1.534 ( -0.339 4.182 0.842) 4.279 1.592 ( -0.038 1.494 -1.865) 2.391 1.623 ( 1.318 1.631 -0.678) 2.204 1.645 ( -1.684 -2.052 0.155) 2.659 1.670 ( -0.001 -0.854 -0.158) 0.868 1.745 ( -1.874 -7.513 0.140) 7.744 1.793 ( 3.445 1.206 -1.259) 3.862 1.845 ( 0.610 1.311 3.464) 3.754 1.861 ( -0.891 -0.646 0.275) 1.135 1.910 ( 0.870 -6.274 -2.329) 6.749 1.947 ( -0.949 3.591 0.812) 3.802 1.957 ( 1.570 -1.949 1.284) 2.813 2.002 ( 0.620 -1.943 -3.275) 3.858 2.057 ( -0.071 -6.712 2.809) 7.276 2.156 ( 3.765 -1.399 -0.411) 4.038 2.203 ( 2.784 0.792 0.389) 2.921 2.223 ( -0.099 -2.511 -0.131) 2.517 2.250 ( 4.181 -0.698 0.543) 4.274 2.292 ( 2.195 4.236 0.621) 4.811 2.330 ( 2.113 0.270 -1.420) 2.560 2.398 ( 0.678 -0.639 -1.396) 1.678 2.427 ( -2.012 -0.449 0.812) 2.216 2.480 ( -1.183 0.344 -0.005) 1.232 2.501 ( -1.371 -2.244 3.555) 4.422 2.512 ( 1.159 1.754 3.366) 3.969 2.542 ( 0.717 0.012 -0.234) 0.755 2.580 ( 0.210 0.430 -0.140) 0.498 2.631 ( 0.091 3.498 -0.196) 3.505 2.669 ( 1.975 2.224 -2.276) 3.745 2.674 ( 2.097 0.629 1.310) 2.551 2.730 ( 4.159 0.846 2.288) 4.821 2.757 ( 2.019 -1.177 -2.010) 3.083 2.786 ( -1.884 -0.910 -1.385) 2.509 2.808 ( -1.940 -0.187 -0.307) 1.973 2.817 ( 1.468 -0.582 0.597) 1.688 2.872 ( -1.920 -0.360 -1.190) 2.287 2.940 ( 0.084 -0.970 -1.616) 1.886 2.962 ( -0.874 -3.417 0.134) 3.530 2.985 ( -0.766 1.657 -1.425) 2.316 3.005 ( -2.404 0.951 2.614) 3.677 3.049 ( -0.898 2.677 0.778) 2.929 3.066 ( -0.190 0.169 -2.252) 2.266 3.154 ( -0.498 -1.084 1.790) 2.151 3.200 ( -1.202 1.537 -1.372) 2.386 3.211 ( -1.302 -2.110 1.430) 2.862 3.282 ( -0.390 -0.143 -0.524) 0.668 3.292 ( -1.166 0.461 -2.986) 3.239 3.338 ( 2.606 3.644 -0.681) 4.532 3.368 ( -0.440 -0.950 -0.314) 1.093 3.407 ( 1.389 -0.116 2.036) 2.467 3.515 ( -0.631 1.609 1.536) 2.312 3.550 ( -1.096 1.771 -1.893) 2.814 3.617 ( 2.357 -0.887 -3.180) 4.056 3.667 ( 0.318 1.980 -3.329) 3.886 3.756 ( 1.804 0.568 -2.242) 2.933 3.798 ( 0.282 3.954 -0.152) 3.967 3.854 ( 2.125 0.151 -0.464) 2.180 3.974 ( -0.179 0.128 -1.501) 1.517 4.013 ( -1.076 -4.779 0.577) 4.932 4.063 ( -1.418 -1.788 1.422) 2.689 4.072 ( -0.893 -0.600 0.957) 1.440 4.119 ( -0.763 -2.445 -0.872) 2.706 4.199 ( -0.177 -1.238 -1.032) 1.621 4.230 ( -0.754 -0.627 1.228) 1.572 4.531 ( 1.058 2.627 0.090) 2.834 4.586 ( -0.783 3.290 -1.751) 3.809 4.629 ( 3.619 1.328 -4.824) 6.175 4.682 ( 1.230 -1.063 -2.514) 2.994 4.888 ( -3.701 0.197 3.621) 5.181 4.917 ( -0.164 1.262 -0.650) 1.428 5.039 ( -0.503 -0.918 2.325) 2.549 5.085 ( 0.021 -1.911 0.847) 2.090 5.187 ( 0.530 0.849 1.125) 1.506 5.235 ( -0.113 -1.374 0.121) 1.384 5.389 ( 0.329 1.584 0.483) 1.688 5.432 ( 1.291 -0.428 0.705) 1.532 5.706 ( 0.371 0.713 -0.365) 0.883 5.755 ( 0.660 -2.175 5.378) 5.838 5.802 ( -1.424 0.355 3.715) 3.994 5.830 ( -1.742 -1.157 4.292) 4.775 6.613 ( -0.036 1.426 -0.139) 1.433 6.681 ( 0.219 -1.177 0.967) 1.539 6.999 ( -2.180 0.092 0.121) 2.185 7.119 ( 1.450 -2.863 -0.640) 3.272 7.440 ( -0.438 2.583 -0.065) 2.621 7.463 ( -0.250 2.448 -0.902) 2.621 7.601 ( -2.022 -1.993 -0.013) 2.839 7.655 ( -6.947 -7.843 5.138) 11.669 8.289 ( 0.502 1.535 -1.147) 1.981 8.342 ( 0.329 -0.409 0.478) 0.709 8.403 ( 2.062 2.185 -1.063) 3.187 8.409 ( 2.066 1.471 -0.953) 2.709 8.448 ( 1.135 1.302 -0.259) 1.746 8.513 ( 1.703 -0.827 0.751) 2.037 8.530 ( 0.743 -0.136 2.685) 2.789 8.555 ( -0.931 -1.021 -0.533) 1.481 9.185 ( 0.083 0.755 -0.006) 0.760 9.221 ( 0.456 -0.642 0.125) 0.797 9.379 ( 0.002 0.367 0.207) 0.422 9.399 ( 0.816 -0.029 -0.063) 0.819 ======================= Grid point 61 (32/78) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 2.091 -4.230 5.886) 7.544 0.730 ( 2.091 4.230 5.886) 7.544 0.877 ( -0.080 -7.004 7.426) 10.208 0.877 ( -0.080 7.004 7.426) 10.208 1.333 ( 1.118 -13.500 4.918) 14.411 1.333 ( 1.118 13.500 4.918) 14.411 1.432 ( 1.172 -1.852 -3.494) 4.125 1.432 ( 1.172 1.852 -3.494) 4.125 1.523 ( 2.593 -6.515 1.451) 7.160 1.523 ( 2.593 6.515 1.451) 7.160 1.612 ( -3.976 -2.799 -1.415) 5.064 1.612 ( -3.976 2.799 -1.415) 5.064 1.708 ( -0.411 -6.077 1.992) 6.408 1.708 ( -0.411 6.077 1.992) 6.408 1.783 ( 0.683 -3.552 0.356) 3.634 1.783 ( 0.683 3.552 0.356) 3.634 1.896 ( -0.312 -0.894 1.176) 1.510 1.896 ( -0.312 0.894 1.176) 1.510 1.929 ( -1.446 -0.247 1.627) 2.191 1.929 ( -1.446 0.247 1.627) 2.191 2.038 ( 0.964 -2.825 0.832) 3.099 2.038 ( 0.964 2.825 0.832) 3.099 2.162 ( 1.084 -2.532 -0.975) 2.921 2.162 ( 1.084 2.532 -0.975) 2.921 2.252 ( -0.942 -1.719 -1.654) 2.565 2.252 ( -0.942 1.719 -1.654) 2.565 2.336 ( -3.952 -2.182 1.858) 4.882 2.336 ( -3.952 2.182 1.858) 4.882 2.364 ( 0.724 -2.590 -3.454) 4.378 2.364 ( 0.724 2.590 -3.454) 4.378 2.428 ( -0.225 -0.788 -2.005) 2.166 2.428 ( -0.225 0.788 -2.005) 2.166 2.518 ( -1.535 -2.322 -2.147) 3.516 2.518 ( -1.535 2.322 -2.147) 3.516 2.650 ( -2.013 -0.919 -2.870) 3.624 2.650 ( -2.013 0.919 -2.870) 3.624 2.720 ( -2.238 -3.229 -2.629) 4.727 2.720 ( -2.238 3.229 -2.629) 4.727 2.731 ( 1.473 -2.089 3.289) 4.165 2.731 ( 1.473 2.089 3.289) 4.165 2.813 ( 2.345 -1.950 0.150) 3.053 2.813 ( 2.345 1.950 0.150) 3.053 2.828 ( -2.657 -1.849 -1.201) 3.453 2.828 ( -2.657 1.849 -1.201) 3.453 2.928 ( 3.575 -3.234 2.678) 5.515 2.928 ( 3.575 3.234 2.678) 5.515 2.992 ( -1.867 -2.821 0.993) 3.525 2.992 ( -1.867 2.821 0.993) 3.525 3.078 ( -0.267 -4.058 1.888) 4.484 3.078 ( -0.267 4.058 1.888) 4.484 3.162 ( 0.593 -2.985 2.300) 3.815 3.162 ( 0.593 2.985 2.300) 3.815 3.274 ( 3.560 -0.780 -0.804) 3.732 3.274 ( 3.560 0.780 -0.804) 3.732 3.315 ( 0.557 -2.391 -0.216) 2.464 3.315 ( 0.557 2.391 -0.216) 2.464 3.450 ( -0.586 -1.661 3.825) 4.211 3.450 ( -0.586 1.661 3.825) 4.211 3.554 ( -0.441 -2.657 -0.310) 2.711 3.554 ( -0.441 2.657 -0.310) 2.711 3.632 ( 3.185 -3.383 -1.652) 4.931 3.632 ( 3.185 3.383 -1.652) 4.931 3.747 ( 1.349 -2.359 -5.663) 6.282 3.747 ( 1.349 2.359 -5.663) 6.282 3.937 ( 0.833 -3.919 0.299) 4.018 3.937 ( 0.833 3.919 0.299) 4.018 4.005 ( -0.015 -2.439 -0.264) 2.454 4.005 ( -0.015 2.439 -0.264) 2.454 4.066 ( -0.671 -1.193 -0.059) 1.370 4.066 ( -0.671 1.193 -0.059) 1.370 4.196 ( -0.923 -0.708 -0.566) 1.293 4.196 ( -0.923 0.708 -0.566) 1.293 4.592 ( 0.879 -1.183 -2.019) 2.499 4.592 ( 0.879 1.183 -2.019) 2.499 4.643 ( 1.480 -1.659 -3.800) 4.402 4.643 ( 1.480 1.659 -3.800) 4.402 4.904 ( -2.930 -2.892 3.091) 5.149 4.904 ( -2.930 2.892 3.091) 5.149 5.051 ( 0.253 -2.846 1.550) 3.251 5.051 ( 0.253 2.846 1.550) 3.251 5.222 ( -0.250 -0.832 0.548) 1.027 5.222 ( -0.250 0.832 0.548) 1.027 5.417 ( -0.828 -1.569 -0.214) 1.787 5.417 ( -0.828 1.569 -0.214) 1.787 5.764 ( 0.918 -1.673 1.335) 2.329 5.764 ( 0.918 1.673 1.335) 2.329 5.851 ( -1.565 -2.754 7.967) 8.573 5.851 ( -1.565 2.754 7.967) 8.573 6.655 ( -0.209 -1.554 0.815) 1.768 6.655 ( -0.209 1.554 0.815) 1.768 7.029 ( -0.466 -3.750 -1.788) 4.181 7.029 ( -0.466 3.750 -1.788) 4.181 7.476 ( 0.170 -1.452 -0.636) 1.594 7.476 ( 0.170 1.452 -0.636) 1.594 7.548 ( -1.689 -1.439 0.395) 2.254 7.548 ( -1.689 1.439 0.395) 2.254 8.327 ( 0.309 -1.813 0.106) 1.842 8.327 ( 0.309 1.813 0.106) 1.842 8.403 ( -0.297 -0.350 -1.911) 1.966 8.403 ( -0.297 0.350 -1.911) 1.966 8.491 ( -0.927 -2.091 -1.105) 2.541 8.491 ( -0.927 2.091 -1.105) 2.541 8.540 ( 0.348 -0.431 0.919) 1.073 8.540 ( 0.348 0.431 0.919) 1.073 9.216 ( 0.371 -1.003 1.053) 1.501 9.216 ( 0.371 1.003 1.053) 1.501 9.387 ( -0.142 -0.636 -0.666) 0.932 9.387 ( -0.142 0.636 -0.666) 0.932 ======================= Grid point 63 (33/78) ======================= q-point: ( 0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 2.879 -11.618 3.584) 12.494 0.837 ( 2.879 11.618 3.584) 12.494 1.066 ( 5.751 -7.078 11.682) 14.820 1.066 ( 5.751 7.078 11.682) 14.820 1.316 ( -0.801 -6.250 -6.613) 9.134 1.316 ( -0.801 6.250 -6.613) 9.134 1.447 ( 1.335 -1.840 -2.038) 3.053 1.447 ( 1.335 1.840 -2.038) 3.053 1.552 ( 1.054 -2.289 -0.245) 2.532 1.552 ( 1.054 2.289 -0.245) 2.532 1.617 ( 1.951 -5.103 4.665) 7.184 1.617 ( 1.951 5.103 4.665) 7.184 1.716 ( 0.180 -6.254 2.999) 6.938 1.716 ( 0.180 6.254 2.999) 6.938 1.838 ( -2.258 -2.801 3.096) 4.746 1.838 ( -2.258 2.801 3.096) 4.746 1.869 ( -3.063 -1.324 -2.344) 4.078 1.869 ( -3.063 1.324 -2.344) 4.078 1.922 ( 1.326 -3.665 2.045) 4.401 1.922 ( 1.326 3.665 2.045) 4.401 2.050 ( -1.277 -3.073 1.368) 3.598 2.050 ( -1.277 3.073 1.368) 3.598 2.149 ( -1.915 -1.318 -2.467) 3.390 2.149 ( -1.915 1.318 -2.467) 3.390 2.194 ( -1.741 -3.495 1.257) 4.102 2.194 ( -1.741 3.495 1.257) 4.102 2.296 ( -3.972 -1.780 -1.710) 4.676 2.296 ( -3.972 1.780 -1.710) 4.676 2.331 ( -0.769 -3.227 1.123) 3.502 2.331 ( -0.769 3.227 1.123) 3.502 2.404 ( 2.024 -1.536 -2.466) 3.541 2.404 ( 2.024 1.536 -2.466) 3.541 2.512 ( 0.920 -1.892 0.557) 2.177 2.512 ( 0.920 1.892 0.557) 2.177 2.569 ( -3.479 -0.879 -1.554) 3.910 2.569 ( -3.479 0.879 -1.554) 3.910 2.653 ( -0.942 -2.737 -1.876) 3.449 2.653 ( -0.942 2.737 -1.876) 3.449 2.750 ( -2.550 -0.534 -0.806) 2.727 2.750 ( -2.550 0.534 -0.806) 2.727 2.781 ( 1.791 -4.836 0.541) 5.186 2.781 ( 1.791 4.836 0.541) 5.186 2.895 ( 3.421 -2.001 0.992) 4.086 2.895 ( 3.421 2.001 0.992) 4.086 2.967 ( -1.919 -4.043 1.870) 4.851 2.967 ( -1.919 4.043 1.870) 4.851 3.018 ( 1.617 -1.927 2.282) 3.397 3.018 ( 1.617 1.927 2.282) 3.397 3.104 ( 0.740 -3.240 0.323) 3.339 3.104 ( 0.740 3.240 0.323) 3.339 3.176 ( 0.646 -0.874 -0.774) 1.334 3.176 ( 0.646 0.874 -0.774) 1.334 3.326 ( 2.221 -2.948 -1.285) 3.909 3.326 ( 2.221 2.948 -1.285) 3.909 3.348 ( 3.653 -2.095 1.999) 4.661 3.348 ( 3.653 2.095 1.999) 4.661 3.453 ( -3.390 -0.482 1.217) 3.634 3.453 ( -3.390 0.482 1.217) 3.634 3.554 ( 0.687 -2.512 0.547) 2.661 3.554 ( 0.687 2.512 0.547) 2.661 3.634 ( 0.520 -5.450 -2.765) 6.133 3.634 ( 0.520 5.450 -2.765) 6.133 3.723 ( 3.740 -3.834 -4.781) 7.179 3.723 ( 3.740 3.834 -4.781) 7.179 3.931 ( -1.655 -2.865 -0.302) 3.322 3.931 ( -1.655 2.865 -0.302) 3.322 4.003 ( 0.003 -2.192 -0.120) 2.195 4.003 ( 0.003 2.192 -0.120) 2.195 4.071 ( 1.305 -3.387 0.393) 3.651 4.071 ( 1.305 3.387 0.393) 3.651 4.180 ( 0.164 -0.900 -0.678) 1.138 4.180 ( 0.164 0.900 -0.678) 1.138 4.565 ( -1.252 -2.219 -1.887) 3.170 4.565 ( -1.252 2.219 -1.887) 3.170 4.622 ( 2.009 -0.744 -3.238) 3.882 4.622 ( 2.009 0.744 -3.238) 3.882 4.899 ( -3.077 -4.173 3.242) 6.115 4.899 ( -3.077 4.173 3.242) 6.115 5.067 ( -0.552 -3.327 0.364) 3.392 5.067 ( -0.552 3.327 0.364) 3.392 5.226 ( 0.126 -0.785 0.648) 1.025 5.226 ( 0.126 0.785 0.648) 1.025 5.398 ( -1.323 -1.291 0.141) 1.854 5.398 ( -1.323 1.291 0.141) 1.854 5.778 ( 0.312 -0.857 0.001) 0.912 5.778 ( 0.312 0.857 0.001) 0.912 5.931 ( -2.616 -3.702 7.477) 8.744 5.931 ( -2.616 3.702 7.477) 8.744 6.668 ( -0.012 -0.244 1.621) 1.639 6.668 ( -0.012 0.244 1.621) 1.639 6.990 ( -0.975 -2.197 -2.518) 3.481 6.990 ( -0.975 2.197 -2.518) 3.481 7.471 ( 0.334 -2.116 -0.841) 2.301 7.471 ( 0.334 2.116 -0.841) 2.301 7.546 ( 0.846 -3.032 0.433) 3.178 7.546 ( 0.846 3.032 0.433) 3.178 8.328 ( -0.423 -1.756 -0.075) 1.807 8.328 ( -0.423 1.756 -0.075) 1.807 8.376 ( -0.039 -2.085 -1.430) 2.528 8.376 ( -0.039 2.085 -1.430) 2.528 8.449 ( -2.201 -1.964 -0.621) 3.015 8.449 ( -2.201 1.964 -0.621) 3.015 8.560 ( 0.575 -0.183 0.658) 0.893 8.560 ( 0.575 0.183 0.658) 0.893 9.237 ( 0.142 -0.768 1.400) 1.603 9.237 ( 0.142 0.768 1.400) 1.603 9.371 ( -0.427 -0.462 -1.013) 1.192 9.371 ( -0.427 0.462 -1.013) 1.192 ======================= Grid point 65 (34/78) ======================= q-point: ( 0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 2.467 -7.338 -0.340) 7.749 0.895 ( 2.467 7.338 -0.340) 7.749 1.194 ( -1.023 -6.466 -1.590) 6.737 1.194 ( -1.023 6.466 -1.590) 6.737 1.319 ( 4.976 -6.564 6.702) 10.619 1.319 ( 4.976 6.564 6.702) 10.619 1.418 ( 1.954 -2.914 -3.179) 4.734 1.418 ( 1.954 2.914 -3.179) 4.734 1.559 ( 0.564 -6.275 -4.336) 7.648 1.559 ( 0.564 6.275 -4.336) 7.648 1.609 ( -4.723 -3.356 -0.653) 5.831 1.609 ( -4.723 3.356 -0.653) 5.831 1.712 ( -1.017 -3.851 -3.108) 5.052 1.712 ( -1.017 3.851 -3.108) 5.052 1.829 ( -5.106 -2.633 2.319) 6.195 1.829 ( -5.106 2.633 2.319) 6.195 1.881 ( 3.339 -2.745 5.956) 7.359 1.881 ( 3.339 2.745 5.956) 7.359 1.937 ( -1.622 -1.853 -0.364) 2.490 1.937 ( -1.622 1.853 -0.364) 2.490 2.024 ( -3.295 -4.366 0.833) 5.533 2.024 ( -3.295 4.366 0.833) 5.533 2.153 ( 1.600 -0.858 0.653) 1.930 2.153 ( 1.600 0.858 0.653) 1.930 2.179 ( -2.850 -1.382 1.436) 3.478 2.179 ( -2.850 1.382 1.436) 3.478 2.241 ( 0.909 -0.589 -0.710) 1.295 2.241 ( 0.909 0.589 -0.710) 1.295 2.363 ( 1.085 -1.370 1.838) 2.536 2.363 ( 1.085 1.370 1.838) 2.536 2.422 ( 1.998 -1.718 0.272) 2.649 2.422 ( 1.998 1.718 0.272) 2.649 2.506 ( -1.590 -2.084 2.471) 3.602 2.506 ( -1.590 2.084 2.471) 3.602 2.577 ( 0.940 -5.363 3.520) 6.484 2.577 ( 0.940 5.363 3.520) 6.484 2.656 ( 2.195 -1.666 0.384) 2.782 2.656 ( 2.195 1.666 0.384) 2.782 2.703 ( -0.870 -0.209 -1.964) 2.158 2.703 ( -0.870 0.209 -1.964) 2.158 2.826 ( 2.239 -4.239 0.865) 4.872 2.826 ( 2.239 4.239 0.865) 4.872 2.924 ( 1.257 -2.969 -1.749) 3.668 2.924 ( 1.257 2.969 -1.749) 3.668 2.964 ( -1.890 -1.905 2.558) 3.707 2.964 ( -1.890 1.905 2.558) 3.707 3.051 ( -0.418 -1.104 0.533) 1.295 3.051 ( -0.418 1.104 0.533) 1.295 3.093 ( -0.094 -1.468 -1.685) 2.237 3.093 ( -0.094 1.468 -1.685) 2.237 3.181 ( 1.785 -1.934 -1.093) 2.850 3.181 ( 1.785 1.934 -1.093) 2.850 3.323 ( 0.696 -1.784 -2.327) 3.014 3.323 ( 0.696 1.784 -2.327) 3.014 3.388 ( -2.217 -3.161 -0.713) 3.926 3.388 ( -2.217 3.161 -0.713) 3.926 3.427 ( 3.593 -1.689 -2.126) 4.503 3.427 ( 3.593 1.689 -2.126) 4.503 3.577 ( -0.495 -2.080 1.429) 2.571 3.577 ( -0.495 2.080 1.429) 2.571 3.605 ( -0.663 -3.175 -0.588) 3.297 3.605 ( -0.663 3.175 -0.588) 3.297 3.712 ( 2.159 -2.982 -3.091) 4.807 3.712 ( 2.159 2.982 -3.091) 4.807 3.897 ( -1.678 -2.298 -0.304) 2.862 3.897 ( -1.678 2.298 -0.304) 2.862 3.998 ( -0.696 -1.347 0.110) 1.521 3.998 ( -0.696 1.347 0.110) 1.521 4.107 ( 3.003 -5.066 -0.405) 5.903 4.107 ( 3.003 5.066 -0.405) 5.903 4.186 ( 0.676 -1.719 0.440) 1.899 4.186 ( 0.676 1.719 0.440) 1.899 4.518 ( -1.671 -2.305 -1.500) 3.218 4.518 ( -1.671 2.305 -1.500) 3.218 4.619 ( 1.843 -0.911 -1.748) 2.699 4.619 ( 1.843 0.911 -1.748) 2.699 4.893 ( -3.494 -3.940 3.269) 6.198 4.893 ( -3.494 3.940 3.269) 6.198 5.045 ( -1.312 -2.826 -0.804) 3.218 5.045 ( -1.312 2.826 -0.804) 3.218 5.240 ( 0.515 -2.338 0.376) 2.423 5.240 ( 0.515 2.338 0.376) 2.423 5.389 ( -0.950 -0.220 0.991) 1.390 5.389 ( -0.950 0.220 0.991) 1.390 5.781 ( 0.403 -0.455 -0.180) 0.634 5.781 ( 0.403 0.455 -0.180) 0.634 5.949 ( -4.096 -1.742 3.500) 5.662 5.949 ( -4.096 1.742 3.500) 5.662 6.694 ( 0.306 -2.262 1.612) 2.794 6.694 ( 0.306 2.262 1.612) 2.794 6.943 ( -1.226 -0.217 -1.684) 2.094 6.943 ( -1.226 0.217 -1.684) 2.094 7.467 ( 0.509 -2.361 -0.586) 2.486 7.467 ( 0.509 2.361 -0.586) 2.486 7.577 ( 1.738 -3.858 0.939) 4.335 7.577 ( 1.738 3.858 0.939) 4.335 8.313 ( -0.697 -1.522 -0.550) 1.762 8.313 ( -0.697 1.522 -0.550) 1.762 8.365 ( -0.325 -3.176 -0.273) 3.204 8.365 ( -0.325 3.176 -0.273) 3.204 8.424 ( -1.035 -2.337 0.476) 2.600 8.424 ( -1.035 2.337 0.476) 2.600 8.570 ( 0.124 -0.331 0.143) 0.381 8.570 ( 0.124 0.331 0.143) 0.381 9.249 ( -0.345 -0.449 0.516) 0.766 9.249 ( -0.345 0.449 0.516) 0.766 9.354 ( -0.351 -0.593 -0.534) 0.872 9.354 ( -0.351 0.593 -0.534) 0.872 ======================= Grid point 67 (35/78) ======================= q-point: ( 0.38 -0.50 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 5.970 -3.437 1.055) 6.969 0.951 ( 5.970 3.437 1.055) 6.969 1.150 ( -2.116 -3.155 -0.989) 3.926 1.150 ( -2.116 3.155 -0.989) 3.926 1.369 ( 0.326 -8.963 -3.311) 9.560 1.369 ( 0.326 8.963 -3.311) 9.560 1.472 ( 2.501 -5.802 -4.936) 8.017 1.472 ( 2.501 5.802 -4.936) 8.017 1.509 ( 0.708 -1.377 3.044) 3.415 1.509 ( 0.708 1.377 3.044) 3.415 1.567 ( -0.721 -0.775 3.338) 3.501 1.567 ( -0.721 0.775 3.338) 3.501 1.664 ( -2.207 -2.438 -0.598) 3.343 1.664 ( -2.207 2.438 -0.598) 3.343 1.783 ( -4.291 -1.504 2.262) 5.079 1.783 ( -4.291 1.504 2.262) 5.079 1.909 ( -1.341 -2.172 0.582) 2.618 1.909 ( -1.341 2.172 0.582) 2.618 1.966 ( -0.033 -1.520 0.942) 1.789 1.966 ( -0.033 1.520 0.942) 1.789 1.987 ( -1.401 -2.104 -0.042) 2.528 1.987 ( -1.401 2.104 -0.042) 2.528 2.118 ( 0.660 -0.627 -2.034) 2.228 2.118 ( 0.660 0.627 -2.034) 2.228 2.196 ( -0.932 -1.345 -0.802) 1.823 2.196 ( -0.932 1.345 -0.802) 1.823 2.259 ( -0.063 -3.356 0.950) 3.488 2.259 ( -0.063 3.356 0.950) 3.488 2.393 ( 1.595 -0.743 1.026) 2.037 2.393 ( 1.595 0.743 1.026) 2.037 2.452 ( 1.190 -0.628 1.049) 1.706 2.452 ( 1.190 0.628 1.049) 1.706 2.559 ( -0.809 -4.030 1.369) 4.333 2.559 ( -0.809 4.030 1.369) 4.333 2.595 ( -1.448 -2.600 1.535) 3.348 2.595 ( -1.448 2.600 1.535) 3.348 2.682 ( 0.482 -2.271 0.146) 2.327 2.682 ( 0.482 2.271 0.146) 2.327 2.736 ( 3.377 -1.579 2.412) 4.440 2.736 ( 3.377 1.579 2.412) 4.440 2.824 ( -1.308 -2.284 -1.149) 2.872 2.824 ( -1.308 2.284 -1.149) 2.872 2.905 ( -0.981 -2.274 -3.477) 4.269 2.905 ( -0.981 2.274 -3.477) 4.269 2.981 ( 1.406 -0.766 2.394) 2.880 2.981 ( 1.406 0.766 2.394) 2.880 3.026 ( 0.734 -0.909 -2.113) 2.414 3.026 ( 0.734 0.909 -2.113) 2.414 3.088 ( -1.287 -2.133 1.257) 2.790 3.088 ( -1.287 2.133 1.257) 2.790 3.202 ( 1.845 -2.296 0.175) 2.951 3.202 ( 1.845 2.296 0.175) 2.951 3.292 ( -0.410 -2.566 -2.011) 3.286 3.292 ( -0.410 2.566 -2.011) 3.286 3.356 ( -0.300 -2.475 -0.915) 2.656 3.356 ( -0.300 2.475 -0.915) 2.656 3.432 ( 3.928 -2.203 -5.814) 7.354 3.432 ( 3.928 2.203 -5.814) 7.354 3.547 ( -0.646 -0.438 -1.776) 1.940 3.547 ( -0.646 0.438 -1.776) 1.940 3.623 ( -0.595 -3.711 2.621) 4.583 3.623 ( -0.595 3.711 2.621) 4.583 3.719 ( 0.613 -0.822 0.490) 1.136 3.719 ( 0.613 0.822 0.490) 1.136 3.886 ( -0.536 -0.575 1.384) 1.592 3.886 ( -0.536 0.575 1.384) 1.592 3.985 ( -0.519 -2.744 -0.779) 2.899 3.985 ( -0.519 2.744 -0.779) 2.899 4.138 ( 2.713 -4.329 -1.401) 5.297 4.138 ( 2.713 4.329 -1.401) 5.297 4.201 ( -0.197 -2.665 0.884) 2.815 4.201 ( -0.197 2.665 0.884) 2.815 4.489 ( -0.724 -1.679 0.072) 1.830 4.489 ( -0.724 1.679 0.072) 1.830 4.629 ( 1.574 -0.876 -0.923) 2.024 4.629 ( 1.574 0.876 -0.923) 2.024 4.877 ( -3.945 -2.973 3.151) 5.859 4.877 ( -3.945 2.973 3.151) 5.859 5.027 ( -0.218 -2.957 -0.003) 2.965 5.027 ( -0.218 2.957 -0.003) 2.965 5.246 ( 0.252 -2.981 -0.273) 3.004 5.246 ( 0.252 2.981 -0.273) 3.004 5.387 ( -0.922 -0.639 0.636) 1.290 5.387 ( -0.922 0.639 0.636) 1.290 5.786 ( 0.690 -0.593 -0.359) 0.978 5.786 ( 0.690 0.593 -0.359) 0.978 5.914 ( -3.629 -0.477 0.481) 3.692 5.914 ( -3.629 0.477 0.481) 3.692 6.705 ( -0.020 -3.359 -0.597) 3.412 6.705 ( -0.020 3.359 -0.597) 3.412 6.924 ( -0.697 -1.428 1.271) 2.035 6.924 ( -0.697 1.428 1.271) 2.035 7.472 ( 0.526 -2.212 0.186) 2.281 7.472 ( 0.526 2.212 0.186) 2.281 7.612 ( 0.754 -4.356 1.282) 4.603 7.612 ( 0.754 4.356 1.282) 4.603 8.302 ( -0.112 -1.386 -0.161) 1.400 8.302 ( -0.112 1.386 -0.161) 1.400 8.357 ( -0.638 -1.802 0.388) 1.951 8.357 ( -0.638 1.802 0.388) 1.951 8.421 ( -0.493 -1.944 0.457) 2.057 8.421 ( -0.493 1.944 0.457) 2.057 8.569 ( -0.069 -0.412 -0.187) 0.458 8.569 ( -0.069 0.412 -0.187) 0.458 9.242 ( -0.231 -0.334 -0.728) 0.833 9.242 ( -0.231 0.334 -0.728) 0.833 9.349 ( -0.247 -0.607 0.476) 0.810 9.349 ( -0.247 0.607 0.476) 0.810 ======================= Grid point 69 (36/78) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -0.579 -1.733 5.191) 5.503 1.066 ( -0.579 1.733 5.191) 5.503 1.147 ( 3.950 -6.129 1.938) 7.545 1.147 ( 3.950 6.129 1.938) 7.545 1.317 ( 0.541 -8.028 -4.426) 9.184 1.317 ( 0.541 8.028 -4.426) 9.184 1.439 ( -3.779 -2.310 -1.022) 4.546 1.439 ( -3.779 2.310 -1.022) 4.546 1.498 ( 1.407 -5.761 -2.321) 6.368 1.498 ( 1.407 5.761 -2.321) 6.368 1.614 ( 2.038 -2.609 2.990) 4.461 1.614 ( 2.038 2.609 2.990) 4.461 1.733 ( 2.857 -4.812 5.932) 8.155 1.733 ( 2.857 4.812 5.932) 8.155 1.770 ( -1.357 -0.276 2.182) 2.584 1.770 ( -1.357 0.276 2.182) 2.584 1.880 ( -1.621 -2.421 -1.129) 3.125 1.880 ( -1.621 2.421 -1.129) 3.125 1.933 ( -0.996 -2.580 -2.143) 3.498 1.933 ( -0.996 2.580 -2.143) 3.498 1.982 ( -0.919 -3.528 -0.446) 3.673 1.982 ( -0.919 3.528 -0.446) 3.673 2.113 ( -0.442 -2.071 -1.093) 2.383 2.113 ( -0.442 2.071 -1.093) 2.383 2.177 ( 1.309 -1.267 -1.076) 2.116 2.177 ( 1.309 1.267 -1.076) 2.116 2.237 ( -1.241 -1.833 -1.660) 2.766 2.237 ( -1.241 1.833 -1.660) 2.766 2.406 ( -1.655 -2.745 -0.273) 3.217 2.406 ( -1.655 2.745 -0.273) 3.217 2.474 ( -0.560 -1.433 1.299) 2.013 2.474 ( -0.560 1.433 1.299) 2.013 2.508 ( -5.484 -2.039 -4.863) 7.608 2.508 ( -5.484 2.039 -4.863) 7.608 2.550 ( 0.682 -5.168 -0.620) 5.250 2.550 ( 0.682 5.168 -0.620) 5.250 2.698 ( -0.730 -3.619 0.966) 3.816 2.698 ( -0.730 3.619 0.966) 3.816 2.753 ( 0.128 -0.352 -0.800) 0.883 2.753 ( 0.128 0.352 -0.800) 0.883 2.803 ( -2.720 -3.686 -0.059) 4.581 2.803 ( -2.720 3.686 -0.059) 4.581 2.890 ( 3.123 -0.927 -1.124) 3.446 2.890 ( 3.123 0.927 -1.124) 3.446 2.997 ( -0.041 -2.888 -1.471) 3.241 2.997 ( -0.041 2.888 -1.471) 3.241 3.037 ( 0.766 -3.376 -0.570) 3.509 3.037 ( 0.766 3.376 -0.570) 3.509 3.095 ( -0.238 -1.762 3.147) 3.614 3.095 ( -0.238 1.762 3.147) 3.614 3.227 ( -0.510 -2.758 1.129) 3.023 3.227 ( -0.510 2.758 1.129) 3.023 3.284 ( 2.439 -2.459 -1.148) 3.649 3.284 ( 2.439 2.459 -1.148) 3.649 3.334 ( 0.070 -2.313 -2.005) 3.062 3.334 ( 0.070 2.313 -2.005) 3.062 3.428 ( 4.881 -3.034 -5.195) 7.747 3.428 ( 4.881 3.034 -5.195) 7.747 3.542 ( 1.121 -1.049 0.068) 1.537 3.542 ( 1.121 1.049 0.068) 1.537 3.635 ( -1.473 -4.282 1.857) 4.894 3.635 ( -1.473 4.282 1.857) 4.894 3.736 ( -0.016 -2.334 1.703) 2.889 3.736 ( -0.016 2.334 1.703) 2.889 3.915 ( 0.379 -1.601 2.750) 3.204 3.915 ( 0.379 1.601 2.750) 3.204 3.965 ( 0.227 -3.756 -1.632) 4.102 3.965 ( 0.227 3.756 -1.632) 4.102 4.155 ( 1.714 -3.337 -1.214) 3.943 4.155 ( 1.714 3.337 -1.214) 3.943 4.192 ( -1.620 -3.934 -0.058) 4.255 4.192 ( -1.620 3.934 -0.058) 4.255 4.500 ( 0.588 -2.906 1.569) 3.355 4.500 ( 0.588 2.906 1.569) 3.355 4.637 ( 1.175 -1.200 -0.958) 1.934 4.637 ( 1.175 1.200 -0.958) 1.934 4.868 ( -3.072 -1.993 3.732) 5.229 4.868 ( -3.072 1.993 3.732) 5.229 5.037 ( 0.538 -2.829 0.985) 3.044 5.037 ( 0.538 2.829 0.985) 3.044 5.241 ( -0.084 -2.520 -0.802) 2.646 5.241 ( -0.084 2.520 -0.802) 2.646 5.374 ( -0.879 -0.357 -0.415) 1.036 5.374 ( -0.879 0.357 -0.415) 1.036 5.792 ( 1.069 -0.831 -0.781) 1.563 5.792 ( 1.069 0.831 -0.781) 1.563 5.865 ( -2.233 -0.609 -1.082) 2.555 5.865 ( -2.233 0.609 -1.082) 2.555 6.682 ( -0.403 -2.964 -1.963) 3.578 6.682 ( -0.403 2.964 -1.963) 3.578 6.951 ( 0.119 -1.380 3.127) 3.420 6.951 ( 0.119 1.380 3.127) 3.420 7.486 ( 0.247 -2.225 1.029) 2.464 7.486 ( 0.247 2.225 1.029) 2.464 7.627 ( -1.121 -4.351 1.385) 4.701 7.627 ( -1.121 4.351 1.385) 4.701 8.304 ( 0.279 -0.939 0.189) 0.998 8.304 ( 0.279 0.939 0.189) 0.998 8.361 ( -0.003 -0.814 1.065) 1.341 8.361 ( -0.003 0.814 1.065) 1.341 8.416 ( -0.559 -1.402 -0.125) 1.515 8.416 ( -0.559 1.402 -0.125) 1.515 8.565 ( 0.074 -0.352 -0.416) 0.550 8.565 ( 0.074 0.352 -0.416) 0.550 9.229 ( 0.241 -0.342 -1.216) 1.286 9.229 ( 0.241 0.342 -1.216) 1.286 9.357 ( -0.055 -0.624 0.969) 1.154 9.357 ( -0.055 0.624 0.969) 1.154 ======================= Grid point 71 (37/78) ======================= q-point: (-0.38 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -6.975 -2.402 4.503) 8.643 1.068 ( -6.975 2.402 4.503) 8.643 1.144 ( -5.698 -8.573 -2.859) 10.683 1.144 ( -5.698 8.573 -2.859) 10.683 1.350 ( 0.286 -2.496 -1.046) 2.721 1.350 ( 0.286 2.496 -1.046) 2.721 1.393 ( 3.828 -0.622 4.464) 5.914 1.393 ( 3.828 0.622 4.464) 5.914 1.513 ( 3.187 -7.067 -1.680) 7.933 1.513 ( 3.187 7.067 -1.680) 7.933 1.685 ( 0.415 -1.965 1.821) 2.711 1.685 ( 0.415 1.965 1.821) 2.711 1.752 ( -1.770 -3.956 -3.661) 5.673 1.752 ( -1.770 3.956 -3.661) 5.673 1.790 ( -5.154 -3.729 -0.613) 6.391 1.790 ( -5.154 3.729 -0.613) 6.391 1.851 ( 2.463 -2.076 0.876) 3.338 1.851 ( 2.463 2.076 0.876) 3.338 1.923 ( 0.684 -3.604 -1.386) 3.921 1.923 ( 0.684 3.604 -1.386) 3.921 1.969 ( 2.004 -1.706 1.325) 2.946 1.969 ( 2.004 1.706 1.325) 2.946 2.063 ( -0.865 -2.903 -1.329) 3.308 2.063 ( -0.865 2.903 -1.329) 3.308 2.187 ( -0.886 -2.051 0.667) 2.332 2.187 ( -0.886 2.051 0.667) 2.332 2.232 ( 3.007 -2.889 -0.358) 4.185 2.232 ( 3.007 2.889 -0.358) 4.185 2.353 ( -1.727 -1.305 -1.730) 2.771 2.353 ( -1.727 1.305 -1.730) 2.771 2.426 ( 0.527 -1.111 -0.274) 1.259 2.426 ( 0.527 1.111 -0.274) 1.259 2.486 ( -0.421 -2.385 1.401) 2.797 2.486 ( -0.421 2.385 1.401) 2.797 2.546 ( -1.178 -3.901 0.200) 4.080 2.546 ( -1.178 3.901 0.200) 4.080 2.677 ( -1.240 -0.494 0.145) 1.343 2.677 ( -1.240 0.494 0.145) 1.343 2.754 ( -1.027 -1.507 1.372) 2.282 2.754 ( -1.027 1.507 1.372) 2.282 2.784 ( 0.887 -0.216 -1.124) 1.448 2.784 ( 0.887 0.216 -1.124) 1.448 2.879 ( -0.746 -0.778 -2.324) 2.562 2.879 ( -0.746 0.778 -2.324) 2.562 2.974 ( -0.975 -2.087 -1.127) 2.564 2.974 ( -0.975 2.087 -1.127) 2.564 3.042 ( 0.908 -3.456 -0.465) 3.604 3.042 ( 0.908 3.456 -0.465) 3.604 3.123 ( 0.293 -0.677 0.401) 0.840 3.123 ( 0.293 0.677 0.401) 0.840 3.212 ( -1.969 -2.778 -0.501) 3.441 3.212 ( -1.969 2.778 -0.501) 3.441 3.302 ( 1.584 -1.453 -1.579) 2.668 3.302 ( 1.584 1.453 -1.579) 2.668 3.336 ( 2.523 -2.749 -1.304) 3.953 3.336 ( 2.523 2.749 -1.304) 3.953 3.418 ( 1.338 -1.207 -3.574) 4.002 3.418 ( 1.338 1.207 -3.574) 4.002 3.560 ( -0.487 -2.001 1.253) 2.411 3.560 ( -0.487 2.001 1.253) 2.411 3.645 ( 0.529 -4.262 0.910) 4.390 3.645 ( 0.529 4.262 0.910) 4.390 3.769 ( 1.395 -3.100 1.876) 3.882 3.769 ( 1.395 3.100 1.876) 3.882 3.926 ( 0.486 -5.097 -1.945) 5.477 3.926 ( 0.486 5.097 -1.945) 5.477 3.983 ( 0.910 -2.276 2.659) 3.617 3.983 ( 0.910 2.276 2.659) 3.617 4.135 ( -2.024 -2.548 -1.427) 3.553 4.135 ( -2.024 2.548 -1.427) 3.553 4.182 ( 0.417 -1.313 0.222) 1.395 4.182 ( 0.417 1.313 0.222) 1.395 4.536 ( 1.378 -3.656 1.519) 4.192 4.536 ( 1.378 3.656 1.519) 4.192 4.644 ( 1.556 -1.690 -1.046) 2.524 4.644 ( 1.556 1.690 -1.046) 2.524 4.877 ( -2.666 -1.548 4.144) 5.165 4.877 ( -2.666 1.548 4.144) 5.165 5.060 ( 0.406 -2.364 1.158) 2.663 5.060 ( 0.406 2.364 1.158) 2.663 5.220 ( -0.499 -1.733 -1.744) 2.509 5.220 ( -0.499 1.733 -1.744) 2.509 5.365 ( 0.464 -0.762 0.003) 0.892 5.365 ( 0.464 0.762 0.003) 0.892 5.788 ( 1.171 -0.761 -3.257) 3.544 5.788 ( 1.171 0.761 -3.257) 3.544 5.824 ( -1.933 -0.703 0.145) 2.062 5.824 ( -1.933 0.703 0.145) 2.062 6.654 ( -0.252 -1.303 -1.329) 1.878 6.654 ( -0.252 1.303 -1.329) 1.878 6.996 ( 0.625 -0.386 2.745) 2.842 6.996 ( 0.625 0.386 2.745) 2.842 7.502 ( -0.318 -2.324 1.199) 2.635 7.502 ( -0.318 2.324 1.199) 2.635 7.616 ( -2.683 -3.403 1.635) 4.632 7.616 ( -2.683 3.403 1.635) 4.632 8.313 ( 0.468 -0.365 0.183) 0.622 8.313 ( 0.468 0.365 0.183) 0.622 8.386 ( 0.808 -1.658 1.843) 2.607 8.386 ( 0.808 1.658 1.843) 2.607 8.406 ( 0.090 -0.833 -0.342) 0.905 8.406 ( 0.090 0.833 -0.342) 0.905 8.559 ( -0.004 -0.037 -0.785) 0.786 8.559 ( -0.004 0.037 -0.785) 0.786 9.218 ( 0.342 -0.437 -1.262) 1.378 9.218 ( 0.342 0.437 -1.262) 1.378 9.370 ( 0.191 -0.561 0.881) 1.062 9.370 ( 0.191 0.561 0.881) 1.062 ======================= Grid point 73 (38/78) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -10.511 -12.440 -3.175) 16.593 0.941 ( -10.511 12.440 -3.175) 16.593 1.003 ( -11.093 -11.690 1.457) 16.182 1.003 ( -11.093 11.690 1.457) 16.182 1.332 ( 1.217 -2.224 -2.988) 3.919 1.332 ( 1.217 2.224 -2.988) 3.919 1.490 ( -4.493 -6.098 -1.204) 7.670 1.490 ( -4.493 6.098 -1.204) 7.670 1.531 ( 2.520 -3.099 1.764) 4.366 1.531 ( 2.520 3.099 1.764) 4.366 1.594 ( -3.886 -1.802 -0.287) 4.293 1.594 ( -3.886 1.802 -0.287) 4.293 1.702 ( 1.101 -3.397 -0.941) 3.693 1.702 ( 1.101 3.397 -0.941) 3.693 1.748 ( 1.175 -2.788 -0.387) 3.050 1.748 ( 1.175 2.788 -0.387) 3.050 1.860 ( -0.364 -1.603 -1.220) 2.047 1.860 ( -0.364 1.603 -1.220) 2.047 1.939 ( 1.394 -2.693 1.295) 3.297 1.939 ( 1.394 2.693 1.295) 3.297 2.029 ( 1.262 -1.580 -2.004) 2.847 2.029 ( 1.262 1.580 -2.004) 2.847 2.105 ( 4.485 -2.368 2.136) 5.503 2.105 ( 4.485 2.368 2.136) 5.503 2.185 ( -0.131 -2.286 0.099) 2.292 2.185 ( -0.131 2.286 0.099) 2.292 2.278 ( 2.223 -1.604 1.397) 3.077 2.278 ( 2.223 1.604 1.397) 3.077 2.362 ( 2.347 -1.117 3.935) 4.716 2.362 ( 2.347 1.117 3.935) 4.716 2.462 ( -0.302 -2.667 1.656) 3.154 2.462 ( -0.302 2.667 1.656) 3.154 2.512 ( 2.503 -4.111 0.599) 4.851 2.512 ( 2.503 4.111 0.599) 4.851 2.546 ( 1.905 -3.500 0.952) 4.097 2.546 ( 1.905 3.500 0.952) 4.097 2.688 ( 1.038 -0.872 0.114) 1.360 2.688 ( 1.038 0.872 0.114) 1.360 2.741 ( -1.304 -1.670 1.026) 2.354 2.741 ( -1.304 1.670 1.026) 2.354 2.788 ( -0.958 -1.799 0.526) 2.105 2.788 ( -0.958 1.799 0.526) 2.105 2.850 ( 1.000 -1.651 -1.497) 2.442 2.850 ( 1.000 1.651 -1.497) 2.442 2.939 ( -1.390 -1.444 -1.476) 2.489 2.939 ( -1.390 1.444 -1.476) 2.489 3.033 ( -1.625 -1.942 -0.171) 2.538 3.033 ( -1.625 1.942 -0.171) 2.538 3.123 ( -0.032 -1.892 -0.455) 1.946 3.123 ( -0.032 1.892 -0.455) 1.946 3.159 ( -2.949 -2.560 -1.440) 4.162 3.159 ( -2.949 2.560 -1.440) 4.162 3.297 ( 0.697 -1.861 -2.452) 3.156 3.297 ( 0.697 1.861 -2.452) 3.156 3.343 ( 1.552 -1.061 -1.819) 2.616 3.343 ( 1.552 1.061 -1.819) 2.616 3.391 ( -0.627 -0.366 -1.185) 1.390 3.391 ( -0.627 0.366 -1.185) 1.390 3.562 ( -1.240 -2.983 1.445) 3.539 3.562 ( -1.240 2.983 1.445) 3.539 3.652 ( 1.276 -4.274 -2.472) 5.099 3.652 ( 1.276 4.274 -2.472) 5.099 3.812 ( 1.309 -1.448 0.781) 2.102 3.812 ( 1.309 1.448 0.781) 2.102 3.909 ( 0.954 -4.827 -2.063) 5.335 3.909 ( 0.954 4.827 -2.063) 5.335 4.018 ( -0.290 -1.640 1.310) 2.119 4.018 ( -0.290 1.640 1.310) 2.119 4.091 ( -1.365 -2.518 -0.633) 2.933 4.091 ( -1.365 2.518 -0.633) 2.933 4.195 ( 0.045 -0.827 1.138) 1.408 4.195 ( 0.045 0.827 1.138) 1.408 4.573 ( 1.884 -3.511 0.237) 3.992 4.573 ( 1.884 3.511 0.237) 3.992 4.656 ( 2.265 -1.807 -1.623) 3.321 4.656 ( 2.265 1.807 -1.623) 3.321 4.891 ( -2.559 -1.658 4.088) 5.100 4.891 ( -2.559 1.658 4.088) 5.100 5.063 ( -1.400 -2.071 0.211) 2.509 5.063 ( -1.400 2.071 0.211) 2.509 5.200 ( 0.602 -1.507 -0.842) 1.828 5.200 ( 0.602 1.507 -0.842) 1.828 5.388 ( 1.474 -0.841 0.888) 1.915 5.388 ( 1.474 0.841 0.888) 1.915 5.743 ( -0.156 -0.305 -3.652) 3.668 5.743 ( -0.156 0.305 -3.652) 3.668 5.813 ( -1.670 -0.962 1.608) 2.510 5.813 ( -1.670 0.962 1.608) 2.510 6.644 ( 0.140 -0.686 -0.189) 0.726 6.644 ( 0.140 0.686 -0.189) 0.726 7.033 ( 0.624 -2.082 1.363) 2.565 7.033 ( 0.624 2.082 1.363) 2.565 7.502 ( -0.870 -1.757 0.238) 1.975 7.502 ( -0.870 1.757 0.238) 1.975 7.596 ( -3.291 -1.499 2.234) 4.251 7.596 ( -3.291 1.499 2.234) 4.251 8.320 ( 0.415 -0.904 -0.136) 1.004 8.320 ( 0.415 0.904 -0.136) 1.004 8.405 ( 0.543 -1.112 0.415) 1.305 8.405 ( 0.543 1.112 0.415) 1.305 8.439 ( 2.318 -1.478 1.547) 3.155 8.439 ( 2.318 1.478 1.547) 3.155 8.545 ( -0.344 -0.713 -0.855) 1.165 8.545 ( -0.344 0.713 -0.855) 1.165 9.207 ( 0.189 -0.705 -0.873) 1.138 9.207 ( 0.189 0.705 -0.873) 1.138 9.383 ( 0.335 -0.476 0.426) 0.722 9.383 ( 0.335 0.476 0.426) 0.722 ======================= Grid point 75 (39/78) ======================= q-point: (-0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -9.203 -10.195 -1.046) 13.774 0.740 ( -9.203 10.195 -1.046) 13.774 0.880 ( -7.716 -13.185 2.659) 15.507 0.880 ( -7.716 13.185 2.659) 15.507 1.291 ( -1.797 -13.196 0.617) 13.332 1.291 ( -1.797 13.196 0.617) 13.332 1.445 ( 0.135 -7.590 0.080) 7.591 1.445 ( 0.135 7.590 0.080) 7.591 1.512 ( 0.203 -6.581 -2.785) 7.149 1.512 ( 0.203 6.581 -2.785) 7.149 1.628 ( -0.535 -2.839 3.411) 4.470 1.628 ( -0.535 2.839 3.411) 4.470 1.695 ( 0.649 -2.188 -1.153) 2.557 1.695 ( 0.649 2.188 -1.153) 2.557 1.799 ( 0.255 -2.062 1.385) 2.497 1.799 ( 0.255 2.062 1.385) 2.497 1.871 ( 2.004 -0.818 1.971) 2.928 1.871 ( 2.004 0.818 1.971) 2.928 1.930 ( -3.087 -2.247 -1.093) 3.972 1.930 ( -3.087 2.247 -1.093) 3.972 2.011 ( 2.115 -0.194 -0.773) 2.260 2.011 ( 2.115 0.194 -0.773) 2.260 2.163 ( 1.029 -2.415 -1.128) 2.857 2.163 ( 1.029 2.415 -1.128) 2.857 2.217 ( 4.051 -1.308 1.334) 4.461 2.217 ( 4.051 1.308 1.334) 4.461 2.324 ( 1.061 -1.524 1.560) 2.425 2.324 ( 1.061 1.524 1.560) 2.425 2.429 ( -2.413 -1.666 -1.116) 3.137 2.429 ( -2.413 1.666 -1.116) 3.137 2.457 ( -0.096 -1.718 0.461) 1.781 2.457 ( -0.096 1.718 0.461) 1.781 2.545 ( 1.132 -1.504 0.595) 1.975 2.545 ( 1.132 1.504 0.595) 1.975 2.617 ( 4.268 -3.516 1.354) 5.693 2.617 ( 4.268 3.516 1.354) 5.693 2.697 ( 1.987 -2.291 -0.531) 3.079 2.697 ( 1.987 2.291 -0.531) 3.079 2.749 ( -0.442 -2.843 -0.820) 2.992 2.749 ( -0.442 2.843 -0.820) 2.992 2.791 ( -0.482 -1.380 2.636) 3.014 2.791 ( -0.482 1.380 2.636) 3.014 2.853 ( 0.971 -2.887 -0.088) 3.047 2.853 ( 0.971 2.887 -0.088) 3.047 2.904 ( -0.801 -2.232 -1.930) 3.058 2.904 ( -0.801 2.232 -1.930) 3.058 3.007 ( -2.106 -0.857 1.424) 2.683 3.007 ( -2.106 0.857 1.424) 2.683 3.097 ( -3.072 -3.235 -0.778) 4.528 3.097 ( -3.072 3.235 -0.778) 4.528 3.123 ( -0.543 -3.491 1.882) 4.003 3.123 ( -0.543 3.491 1.882) 4.003 3.267 ( 0.914 -2.839 -2.898) 4.159 3.267 ( 0.914 2.839 -2.898) 4.159 3.329 ( -0.673 -2.945 -1.420) 3.338 3.329 ( -0.673 2.945 -1.420) 3.338 3.397 ( 1.306 -1.307 2.022) 2.739 3.397 ( 1.306 1.307 2.022) 2.739 3.562 ( -0.950 -2.602 0.871) 2.904 3.562 ( -0.950 2.602 0.871) 2.904 3.627 ( 1.366 -3.902 -3.312) 5.297 3.627 ( 1.366 3.902 -3.312) 5.297 3.805 ( -0.128 -3.004 -3.473) 4.594 3.805 ( -0.128 3.004 -3.473) 4.594 3.913 ( 1.606 -4.198 -0.167) 4.498 3.913 ( 1.606 4.198 -0.167) 4.498 4.013 ( -0.517 -1.990 -0.306) 2.079 4.013 ( -0.517 1.990 -0.306) 2.079 4.077 ( -0.755 -0.859 0.201) 1.161 4.077 ( -0.755 0.859 0.201) 1.161 4.207 ( -0.518 -1.463 0.869) 1.778 4.207 ( -0.518 1.463 0.869) 1.778 4.594 ( 1.832 -2.750 -1.382) 3.581 4.594 ( 1.832 2.750 -1.382) 3.581 4.662 ( 2.134 -1.638 -2.959) 3.999 4.662 ( 2.134 1.638 -2.959) 3.999 4.903 ( -2.465 -1.622 3.393) 4.497 4.903 ( -2.465 1.622 3.393) 4.497 5.043 ( -1.268 -1.525 0.649) 2.087 5.043 ( -1.268 1.525 0.649) 2.087 5.212 ( 0.556 -1.187 0.689) 1.481 5.212 ( 0.556 1.187 0.689) 1.481 5.417 ( 0.742 -1.086 0.554) 1.427 5.417 ( 0.742 1.086 0.554) 1.427 5.724 ( 0.311 -1.080 1.291) 1.712 5.724 ( 0.311 1.080 1.291) 1.712 5.813 ( -1.844 -0.660 2.773) 3.396 5.813 ( -1.844 0.660 2.773) 3.396 6.649 ( 0.110 -1.830 0.421) 1.881 6.649 ( 0.110 1.830 0.421) 1.881 7.046 ( 0.109 -3.607 -0.325) 3.623 7.046 ( 0.109 3.607 -0.325) 3.623 7.487 ( -0.658 -1.367 -0.523) 1.604 7.487 ( -0.658 1.367 -0.523) 1.604 7.574 ( -3.105 -1.180 1.628) 3.699 7.574 ( -3.105 1.180 1.628) 3.699 8.322 ( 0.335 -1.514 -0.215) 1.566 8.322 ( 0.335 1.514 -0.215) 1.566 8.418 ( 0.634 -0.228 -0.474) 0.823 8.418 ( 0.634 0.228 -0.474) 0.823 8.485 ( 1.890 -1.753 0.205) 2.586 8.485 ( 1.890 1.753 0.205) 2.586 8.535 ( -0.327 -0.712 0.236) 0.818 8.535 ( -0.327 0.712 0.236) 0.818 9.204 ( 0.219 -0.967 0.032) 0.992 9.204 ( 0.219 0.967 0.032) 0.992 9.390 ( 0.301 -0.610 -0.080) 0.685 9.390 ( 0.301 0.610 -0.080) 0.685 ======================= Grid point 85 (40/78) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -1.013 0.000 18.547) 18.575 0.831 ( 1.697 0.000 20.099) 20.170 1.052 ( -7.040 0.000 16.958) 18.361 1.287 ( 6.352 0.000 5.718) 8.547 1.310 ( 7.557 0.000 4.622) 8.859 1.399 ( -2.560 0.000 -0.371) 2.587 1.416 ( -3.162 0.000 -5.819) 6.622 1.475 ( 0.663 0.000 5.101) 5.144 1.499 ( 3.524 0.000 1.430) 3.803 1.554 ( -1.627 0.000 -3.370) 3.742 1.614 ( 1.440 0.000 -1.382) 1.996 1.617 ( 3.621 0.000 -2.031) 4.151 1.699 ( -2.574 0.000 0.056) 2.575 1.738 ( -1.562 0.000 -3.989) 4.284 1.752 ( -5.231 0.000 1.772) 5.523 1.795 ( 1.319 0.000 -0.935) 1.616 1.808 ( 3.484 0.000 -0.714) 3.556 1.954 ( -1.272 0.000 2.091) 2.447 1.966 ( -2.068 0.000 -1.870) 2.788 2.030 ( -3.074 0.000 -0.098) 3.076 2.065 ( 3.504 0.000 -2.706) 4.427 2.141 ( 3.570 0.000 -4.890) 6.055 2.144 ( -2.024 0.000 2.947) 3.575 2.162 ( -5.476 0.000 1.492) 5.675 2.201 ( 0.681 0.000 0.037) 0.682 2.201 ( -2.181 0.000 1.837) 2.851 2.261 ( -1.954 0.000 -6.829) 7.103 2.292 ( 2.260 0.000 -0.566) 2.330 2.331 ( -2.022 0.000 -3.295) 3.866 2.406 ( -2.528 0.000 -3.088) 3.991 2.447 ( 1.007 0.000 -0.337) 1.062 2.456 ( 0.078 0.000 0.916) 0.919 2.469 ( -2.654 0.000 -0.420) 2.687 2.503 ( 2.021 0.000 3.996) 4.479 2.545 ( 1.150 0.000 -1.182) 1.649 2.590 ( -3.238 0.000 -4.199) 5.302 2.626 ( -0.764 0.000 -1.060) 1.307 2.658 ( -0.842 0.000 -2.363) 2.509 2.700 ( -0.295 0.000 -2.559) 2.576 2.748 ( -2.080 0.000 -2.738) 3.439 2.801 ( 0.244 0.000 3.468) 3.477 2.811 ( 3.605 0.000 0.512) 3.641 2.881 ( -0.510 0.000 3.499) 3.536 2.894 ( 0.056 0.000 3.317) 3.317 2.933 ( 0.136 0.000 0.918) 0.928 2.982 ( -0.103 0.000 4.378) 4.379 3.018 ( 1.308 0.000 1.054) 1.680 3.080 ( 2.895 0.000 1.111) 3.101 3.093 ( -0.304 0.000 -1.671) 1.698 3.130 ( 1.193 0.000 -1.424) 1.858 3.155 ( 3.323 0.000 0.769) 3.411 3.220 ( -1.097 0.000 1.285) 1.690 3.278 ( -0.647 0.000 -0.512) 0.826 3.282 ( 2.904 0.000 -0.053) 2.905 3.290 ( -0.459 0.000 3.380) 3.411 3.372 ( 0.681 0.000 0.151) 0.697 3.401 ( 0.665 0.000 1.089) 1.276 3.475 ( -3.426 0.000 -1.504) 3.742 3.479 ( 5.705 0.000 -2.082) 6.074 3.517 ( -0.260 0.000 -1.849) 1.868 3.520 ( 0.184 0.000 3.001) 3.006 3.573 ( 3.016 0.000 -1.813) 3.519 3.741 ( -0.637 0.000 -1.544) 1.670 3.773 ( 0.582 0.000 -5.322) 5.353 3.923 ( -4.125 0.000 1.608) 4.427 3.924 ( 5.186 0.000 0.576) 5.218 4.034 ( -3.078 0.000 -1.983) 3.661 4.035 ( 3.804 0.000 -1.562) 4.112 4.096 ( -1.601 0.000 -0.723) 1.757 4.101 ( -0.695 0.000 -0.574) 0.901 4.180 ( 2.798 0.000 -1.588) 3.217 4.192 ( -3.593 0.000 -1.140) 3.769 4.500 ( 1.618 0.000 0.960) 1.882 4.538 ( 1.840 0.000 -1.534) 2.396 4.540 ( 0.738 0.000 0.463) 0.871 4.599 ( -1.052 0.000 -2.375) 2.597 4.842 ( -2.876 0.000 3.676) 4.667 4.987 ( 0.447 0.000 -3.955) 3.980 5.025 ( -1.043 0.000 3.979) 4.114 5.159 ( 0.341 0.000 -3.130) 3.149 5.218 ( 2.727 0.000 1.321) 3.031 5.236 ( -3.091 0.000 0.624) 3.153 5.402 ( -0.350 0.000 2.432) 2.457 5.456 ( -0.706 0.000 -0.158) 0.724 5.744 ( 0.447 0.000 1.293) 1.368 5.790 ( -0.453 0.000 -1.042) 1.136 5.960 ( -1.399 0.000 8.781) 8.892 6.210 ( 1.845 0.000 -3.949) 4.359 6.660 ( 3.083 0.000 2.583) 4.022 6.697 ( -2.402 0.000 0.234) 2.414 6.944 ( -1.397 0.000 0.069) 1.399 7.044 ( -1.315 0.000 -4.512) 4.700 7.391 ( -1.193 0.000 0.582) 1.327 7.418 ( 0.914 0.000 -0.703) 1.153 7.608 ( 1.630 0.000 0.047) 1.630 7.630 ( -6.528 0.000 -1.130) 6.625 8.228 ( -0.960 0.000 0.586) 1.125 8.267 ( 1.189 0.000 -1.283) 1.749 8.366 ( -0.823 0.000 0.331) 0.887 8.380 ( 0.349 0.000 -0.686) 0.769 8.463 ( -0.287 0.000 1.429) 1.458 8.519 ( -1.766 0.000 -0.804) 1.941 8.569 ( 0.461 0.000 0.295) 0.547 8.600 ( 0.186 0.000 -1.078) 1.094 9.222 ( 0.548 0.000 2.128) 2.197 9.261 ( 0.081 0.000 0.804) 0.808 9.374 ( -0.489 0.000 -1.305) 1.394 9.374 ( 0.118 0.000 -0.806) 0.814 ======================= Grid point 86 (41/78) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -10.905 0.000 12.794) 16.811 0.958 ( 0.387 0.000 12.018) 12.024 1.153 ( 6.262 0.000 -2.303) 6.672 1.256 ( -4.041 0.000 -10.910) 11.634 1.323 ( -2.964 0.000 1.453) 3.301 1.345 ( -4.914 0.000 -2.280) 5.417 1.468 ( 4.393 0.000 4.245) 6.108 1.514 ( -3.399 0.000 -5.097) 6.126 1.527 ( 6.362 0.000 -4.185) 7.615 1.561 ( 0.805 0.000 -3.543) 3.634 1.597 ( -2.867 0.000 0.950) 3.020 1.673 ( 4.094 0.000 5.836) 7.129 1.695 ( -2.745 0.000 4.693) 5.437 1.727 ( 3.907 0.000 0.474) 3.936 1.760 ( 3.559 0.000 -0.486) 3.592 1.782 ( -0.603 0.000 5.992) 6.023 1.836 ( 2.302 0.000 -1.377) 2.682 1.922 ( -5.360 0.000 1.537) 5.576 1.938 ( 5.758 0.000 -7.146) 9.177 2.011 ( -2.448 0.000 4.182) 4.846 2.061 ( -0.346 0.000 -1.258) 1.304 2.075 ( -4.323 0.000 2.357) 4.924 2.133 ( 1.515 0.000 -4.501) 4.749 2.153 ( -1.043 0.000 -1.089) 1.508 2.207 ( -3.261 0.000 2.471) 4.092 2.214 ( 0.754 0.000 8.185) 8.220 2.225 ( -0.269 0.000 -1.644) 1.666 2.268 ( 1.064 0.000 -2.242) 2.481 2.347 ( 4.763 0.000 0.447) 4.784 2.348 ( -1.200 0.000 -2.280) 2.576 2.388 ( -5.449 0.000 -0.640) 5.486 2.434 ( -1.362 0.000 1.932) 2.364 2.488 ( -1.134 0.000 2.611) 2.846 2.490 ( -3.293 0.000 -2.729) 4.277 2.555 ( 2.043 0.000 -2.820) 3.482 2.595 ( 1.137 0.000 4.122) 4.275 2.625 ( -0.308 0.000 -0.744) 0.805 2.648 ( 4.146 0.000 0.216) 4.151 2.689 ( 0.023 0.000 -1.245) 1.245 2.702 ( 1.167 0.000 2.468) 2.730 2.808 ( -0.797 0.000 -1.196) 1.437 2.859 ( 2.186 0.000 -1.057) 2.428 2.914 ( -1.942 0.000 2.209) 2.941 2.916 ( 0.580 0.000 1.629) 1.729 2.946 ( -0.325 0.000 0.908) 0.965 3.022 ( 0.266 0.000 -0.557) 0.617 3.039 ( 0.266 0.000 -0.519) 0.583 3.061 ( 0.366 0.000 -0.126) 0.387 3.108 ( 2.814 0.000 -5.022) 5.756 3.136 ( -0.273 0.000 0.761) 0.808 3.175 ( -1.672 0.000 -0.822) 1.863 3.208 ( 1.517 0.000 -0.073) 1.519 3.251 ( -1.019 0.000 -1.073) 1.480 3.330 ( 3.575 0.000 -0.947) 3.698 3.333 ( -0.701 0.000 3.403) 3.474 3.385 ( -1.269 0.000 -1.371) 1.868 3.396 ( 0.407 0.000 1.312) 1.374 3.434 ( 0.348 0.000 -1.482) 1.522 3.453 ( -0.942 0.000 -5.493) 5.573 3.547 ( 3.337 0.000 0.992) 3.482 3.584 ( 1.949 0.000 2.293) 3.009 3.600 ( 5.468 0.000 -3.461) 6.472 3.717 ( -0.747 0.000 0.404) 0.850 3.725 ( -0.005 0.000 -2.610) 2.610 3.878 ( -5.034 0.000 3.114) 5.919 3.944 ( -4.299 0.000 -3.194) 5.356 3.975 ( 2.088 0.000 -0.078) 2.089 4.045 ( -1.005 0.000 -1.857) 2.111 4.102 ( 0.666 0.000 0.315) 0.737 4.108 ( 3.500 0.000 -0.057) 3.501 4.126 ( -3.843 0.000 0.831) 3.931 4.207 ( 2.125 0.000 0.173) 2.132 4.529 ( 0.403 0.000 -2.339) 2.373 4.540 ( 2.304 0.000 -0.926) 2.483 4.564 ( 1.195 0.000 1.964) 2.299 4.570 ( 1.055 0.000 -1.980) 2.244 4.856 ( -2.725 0.000 4.867) 5.578 4.942 ( -0.080 0.000 -3.091) 3.092 5.060 ( -1.450 0.000 4.139) 4.385 5.124 ( 0.731 0.000 -3.161) 3.245 5.181 ( -4.134 0.000 -0.448) 4.159 5.269 ( 1.807 0.000 1.040) 2.085 5.427 ( -0.628 0.000 2.356) 2.439 5.435 ( -1.347 0.000 -0.577) 1.465 5.765 ( 0.322 0.000 1.278) 1.318 5.772 ( -0.005 0.000 -1.188) 1.188 6.025 ( -4.146 0.000 6.829) 7.989 6.121 ( -4.549 0.000 -4.465) 6.374 6.661 ( -2.020 0.000 -0.444) 2.069 6.737 ( 3.341 0.000 1.259) 3.571 6.954 ( -0.129 0.000 2.740) 2.743 6.965 ( -2.151 0.000 -3.034) 3.719 7.388 ( -0.325 0.000 0.733) 0.802 7.430 ( 1.703 0.000 -0.621) 1.813 7.569 ( -2.423 0.000 0.888) 2.581 7.653 ( 2.966 0.000 1.564) 3.353 8.222 ( -0.868 0.000 0.639) 1.078 8.272 ( 1.404 0.000 -1.111) 1.790 8.353 ( -1.193 0.000 0.380) 1.252 8.374 ( -0.594 0.000 -0.109) 0.604 8.480 ( -0.436 0.000 2.072) 2.118 8.482 ( -1.898 0.000 -0.572) 1.982 8.577 ( 0.217 0.000 0.161) 0.270 8.595 ( 0.573 0.000 -0.690) 0.897 9.251 ( 0.041 0.000 1.503) 1.504 9.260 ( -0.196 0.000 -0.986) 1.005 9.353 ( -0.868 0.000 0.015) 0.868 9.365 ( -0.054 0.000 -0.494) 0.497 ======================= Grid point 87 (42/78) ======================= q-point: ( 0.25 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 0.571 0.000 -13.742) 13.754 0.926 ( -0.935 0.000 -0.483) 1.053 1.142 ( -3.860 0.000 0.049) 3.860 1.195 ( 1.765 0.000 0.541) 1.846 1.303 ( -3.346 0.000 7.859) 8.542 1.335 ( -1.708 0.000 3.973) 4.325 1.422 ( -2.320 0.000 -1.847) 2.965 1.424 ( -3.515 0.000 -4.724) 5.888 1.551 ( 4.773 0.000 -4.795) 6.766 1.573 ( 2.176 0.000 3.126) 3.809 1.620 ( -4.713 0.000 -0.633) 4.755 1.674 ( 3.378 0.000 -2.013) 3.932 1.702 ( 2.566 0.000 -3.884) 4.655 1.722 ( -2.207 0.000 4.511) 5.022 1.816 ( 2.633 0.000 0.530) 2.686 1.851 ( -2.583 0.000 1.226) 2.859 1.896 ( 5.468 0.000 -3.091) 6.282 1.908 ( -4.613 0.000 4.407) 6.380 1.926 ( 4.326 0.000 -3.690) 5.686 2.023 ( -2.330 0.000 1.500) 2.772 2.032 ( 4.881 0.000 -7.586) 9.021 2.074 ( -0.365 0.000 -4.713) 4.727 2.136 ( -4.416 0.000 0.652) 4.464 2.142 ( -0.642 0.000 7.856) 7.882 2.168 ( -2.900 0.000 4.324) 5.207 2.235 ( 2.864 0.000 2.996) 4.145 2.251 ( -0.962 0.000 -1.160) 1.507 2.299 ( -3.136 0.000 -1.052) 3.308 2.337 ( 0.337 0.000 0.954) 1.012 2.370 ( 2.559 0.000 1.281) 2.861 2.417 ( 2.323 0.000 5.354) 5.836 2.437 ( -2.356 0.000 0.927) 2.532 2.465 ( -4.182 0.000 2.187) 4.719 2.500 ( 2.672 0.000 4.867) 5.552 2.533 ( 1.115 0.000 -3.324) 3.506 2.616 ( -1.908 0.000 0.921) 2.119 2.630 ( 1.528 0.000 0.657) 1.663 2.695 ( 1.899 0.000 1.506) 2.423 2.752 ( 1.182 0.000 1.665) 2.042 2.777 ( 1.606 0.000 -2.236) 2.753 2.778 ( 1.576 0.000 4.387) 4.661 2.841 ( -0.449 0.000 -2.858) 2.893 2.887 ( -2.352 0.000 -3.221) 3.988 2.932 ( 3.090 0.000 -3.383) 4.581 2.933 ( -3.146 0.000 2.684) 4.135 3.015 ( 2.169 0.000 -1.587) 2.688 3.023 ( -0.183 0.000 -0.942) 0.960 3.044 ( -4.036 0.000 -1.737) 4.394 3.068 ( 1.568 0.000 -3.764) 4.078 3.103 ( 4.187 0.000 -3.271) 5.313 3.204 ( -2.382 0.000 1.225) 2.678 3.207 ( -0.392 0.000 -0.568) 0.690 3.229 ( 1.055 0.000 -1.269) 1.650 3.312 ( -0.548 0.000 -5.752) 5.779 3.341 ( -0.429 0.000 2.670) 2.704 3.396 ( 1.419 0.000 -1.001) 1.737 3.400 ( 2.293 0.000 -1.532) 2.758 3.409 ( 0.501 0.000 -1.156) 1.260 3.423 ( 1.438 0.000 -0.321) 1.473 3.588 ( 2.184 0.000 -1.623) 2.721 3.596 ( -0.734 0.000 -0.904) 1.164 3.654 ( 6.012 0.000 -2.492) 6.508 3.695 ( -2.555 0.000 0.916) 2.714 3.749 ( 0.802 0.000 3.220) 3.318 3.842 ( -2.932 0.000 -3.072) 4.247 3.875 ( -2.667 0.000 5.079) 5.737 3.971 ( -3.556 0.000 0.208) 3.562 4.016 ( 0.699 0.000 -1.509) 1.663 4.079 ( -1.748 0.000 0.730) 1.895 4.119 ( 0.647 0.000 0.713) 0.963 4.176 ( 2.292 0.000 1.727) 2.870 4.242 ( 1.127 0.000 1.117) 1.587 4.512 ( 1.081 0.000 -1.628) 1.954 4.541 ( 1.169 0.000 -2.168) 2.463 4.567 ( 1.828 0.000 -1.999) 2.709 4.620 ( 1.756 0.000 2.381) 2.958 4.883 ( -2.788 0.000 5.696) 6.341 4.915 ( 0.333 0.000 -0.986) 1.040 5.072 ( -5.311 0.000 3.751) 6.502 5.103 ( 1.694 0.000 -3.002) 3.447 5.125 ( -1.283 0.000 0.154) 1.292 5.297 ( 0.814 0.000 0.168) 0.831 5.403 ( -1.575 0.000 -0.924) 1.825 5.436 ( -1.330 0.000 0.958) 1.640 5.759 ( 0.682 0.000 -1.592) 1.732 5.785 ( 0.075 0.000 1.301) 1.303 5.995 ( -4.474 0.000 -3.810) 5.877 6.003 ( -6.355 0.000 2.234) 6.736 6.627 ( -1.047 0.000 -1.371) 1.725 6.777 ( 1.821 0.000 -1.379) 2.284 6.922 ( -1.579 0.000 1.081) 1.913 6.997 ( -0.435 0.000 4.260) 4.283 7.399 ( 0.272 0.000 1.069) 1.103 7.449 ( 1.813 0.000 -0.648) 1.925 7.566 ( -0.592 0.000 1.971) 2.058 7.729 ( 2.450 0.000 3.582) 4.340 8.221 ( -0.478 0.000 0.810) 0.941 8.277 ( 1.323 0.000 -1.235) 1.810 8.346 ( -0.886 0.000 0.892) 1.257 8.355 ( -2.195 0.000 0.353) 2.224 8.452 ( -1.079 0.000 -0.584) 1.227 8.498 ( -0.696 0.000 1.579) 1.725 8.579 ( -0.214 0.000 0.105) 0.238 8.596 ( 0.552 0.000 -0.576) 0.797 9.235 ( -0.051 0.000 -2.262) 2.263 9.255 ( -0.648 0.000 -0.248) 0.693 9.348 ( -0.861 0.000 1.140) 1.429 9.364 ( -0.118 0.000 0.510) 0.524 ======================= Grid point 88 (43/78) ======================= q-point: ( 0.38 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 12.862 0.000 -3.973) 13.461 0.949 ( 7.859 0.000 -4.812) 9.215 1.047 ( -6.253 0.000 -2.290) 6.660 1.250 ( -1.627 0.000 7.725) 7.894 1.300 ( -0.712 0.000 -1.974) 2.098 1.377 ( -1.758 0.000 -0.221) 1.772 1.396 ( 0.192 0.000 9.176) 9.178 1.399 ( -2.410 0.000 2.841) 3.725 1.511 ( -7.659 0.000 0.280) 7.664 1.578 ( 3.983 0.000 -2.091) 4.499 1.641 ( 2.569 0.000 2.778) 3.784 1.698 ( 3.676 0.000 0.619) 3.728 1.707 ( 3.902 0.000 -3.223) 5.061 1.801 ( 0.994 0.000 2.145) 2.364 1.818 ( 3.979 0.000 -7.745) 8.707 1.830 ( -2.468 0.000 1.562) 2.921 1.879 ( -0.113 0.000 0.123) 0.167 1.891 ( -4.188 0.000 3.941) 5.751 1.935 ( 1.621 0.000 -4.936) 5.196 1.976 ( -2.796 0.000 0.454) 2.832 1.991 ( 0.360 0.000 -6.243) 6.254 2.054 ( 4.403 0.000 -2.676) 5.152 2.103 ( 1.034 0.000 -0.328) 1.085 2.134 ( -4.583 0.000 4.246) 6.248 2.233 ( -1.169 0.000 -3.809) 3.984 2.239 ( -2.521 0.000 -0.848) 2.660 2.253 ( 1.865 0.000 0.293) 1.887 2.282 ( -2.835 0.000 -0.591) 2.896 2.313 ( 1.187 0.000 1.718) 2.088 2.373 ( -8.066 0.000 0.617) 8.090 2.417 ( 2.319 0.000 -0.385) 2.351 2.448 ( -0.530 0.000 3.952) 3.988 2.469 ( -3.057 0.000 0.617) 3.118 2.518 ( -1.644 0.000 0.836) 1.844 2.585 ( -3.267 0.000 1.255) 3.500 2.612 ( -0.121 0.000 0.135) 0.182 2.648 ( -1.153 0.000 -1.221) 1.679 2.703 ( -1.617 0.000 3.575) 3.924 2.722 ( 2.602 0.000 -1.898) 3.221 2.773 ( -1.320 0.000 -3.263) 3.520 2.788 ( 1.355 0.000 0.434) 1.422 2.837 ( 0.664 0.000 0.131) 0.677 2.870 ( 0.516 0.000 -2.558) 2.610 2.939 ( 1.343 0.000 3.367) 3.625 2.944 ( 3.395 0.000 -2.016) 3.948 3.011 ( 0.646 0.000 -0.316) 0.719 3.022 ( 1.586 0.000 -4.850) 5.102 3.031 ( -0.346 0.000 2.827) 2.848 3.046 ( 5.598 0.000 -4.182) 6.987 3.134 ( 2.735 0.000 -0.074) 2.736 3.144 ( -5.885 0.000 1.212) 6.008 3.193 ( -1.045 0.000 -0.301) 1.087 3.217 ( -0.440 0.000 -1.747) 1.802 3.245 ( 0.538 0.000 -4.093) 4.128 3.374 ( 0.144 0.000 -1.192) 1.200 3.389 ( 1.206 0.000 -3.146) 3.370 3.396 ( 3.957 0.000 -1.050) 4.094 3.452 ( 2.603 0.000 -0.675) 2.689 3.461 ( 2.181 0.000 3.141) 3.824 3.565 ( -1.496 0.000 -0.993) 1.795 3.578 ( -0.167 0.000 -1.134) 1.146 3.657 ( 1.110 0.000 -2.200) 2.464 3.704 ( 1.416 0.000 -2.199) 2.615 3.786 ( 0.336 0.000 0.522) 0.621 3.801 ( 0.582 0.000 0.360) 0.685 3.899 ( -6.071 0.000 0.712) 6.113 3.924 ( -1.695 0.000 7.133) 7.332 4.014 ( 0.994 0.000 -0.385) 1.066 4.087 ( -0.313 0.000 2.246) 2.267 4.140 ( 1.047 0.000 0.392) 1.118 4.214 ( 0.708 0.000 0.461) 0.845 4.256 ( -0.634 0.000 0.050) 0.636 4.516 ( 1.196 0.000 -1.016) 1.570 4.527 ( 0.597 0.000 -1.946) 2.035 4.582 ( 2.933 0.000 -0.745) 3.026 4.666 ( 1.274 0.000 1.287) 1.812 4.918 ( -2.952 0.000 6.261) 6.922 4.934 ( 1.554 0.000 1.602) 2.232 5.016 ( -5.806 0.000 2.382) 6.276 5.095 ( 2.447 0.000 -3.011) 3.880 5.139 ( -0.352 0.000 2.343) 2.369 5.295 ( -0.188 0.000 -1.266) 1.280 5.369 ( -1.064 0.000 -1.024) 1.477 5.406 ( -2.409 0.000 -1.111) 2.653 5.750 ( 1.549 0.000 -2.507) 2.947 5.797 ( -0.414 0.000 0.679) 0.795 5.906 ( -2.543 0.000 -1.832) 3.134 5.916 ( -5.141 0.000 -1.256) 5.293 6.602 ( -0.082 0.000 -0.865) 0.869 6.757 ( -0.385 0.000 -3.167) 3.190 6.944 ( -0.081 0.000 3.826) 3.827 7.039 ( -0.933 0.000 3.518) 3.640 7.420 ( 0.187 0.000 1.416) 1.428 7.466 ( 1.449 0.000 -0.513) 1.537 7.598 ( 0.109 0.000 3.633) 3.635 7.795 ( -0.773 0.000 3.729) 3.808 8.231 ( 0.406 0.000 0.863) 0.953 8.280 ( 1.190 0.000 -1.197) 1.688 8.324 ( -2.528 0.000 0.769) 2.642 8.346 ( -0.889 0.000 0.915) 1.276 8.436 ( -0.129 0.000 -0.470) 0.487 8.493 ( -1.303 0.000 0.019) 1.304 8.575 ( 0.064 0.000 -0.416) 0.421 8.597 ( 0.349 0.000 -0.401) 0.532 9.210 ( 0.620 0.000 -2.033) 2.125 9.232 ( -0.823 0.000 -1.285) 1.526 9.354 ( -0.619 0.000 1.451) 1.577 9.372 ( 0.007 0.000 0.815) 0.815 ======================= Grid point 89 (44/78) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -10.110 0.000 -1.902) 10.287 1.008 ( 9.177 0.000 -6.373) 11.173 1.132 ( 14.234 0.000 3.491) 14.656 1.226 ( -16.391 0.000 9.198) 18.795 1.315 ( -1.150 0.000 -1.220) 1.676 1.388 ( 1.845 0.000 1.562) 2.417 1.412 ( 6.120 0.000 1.445) 6.289 1.482 ( -1.137 0.000 5.262) 5.384 1.519 ( 1.366 0.000 5.293) 5.467 1.592 ( 3.218 0.000 -1.398) 3.509 1.705 ( 0.501 0.000 1.947) 2.010 1.713 ( -0.613 0.000 -2.185) 2.270 1.719 ( -9.434 0.000 -0.933) 9.480 1.767 ( -2.153 0.000 0.126) 2.157 1.774 ( 2.911 0.000 -3.960) 4.915 1.860 ( -0.104 0.000 2.647) 2.649 1.874 ( -0.970 0.000 -1.497) 1.783 1.875 ( 1.334 0.000 4.735) 4.919 1.913 ( 4.274 0.000 -4.719) 6.367 1.951 ( 1.561 0.000 -1.983) 2.523 1.988 ( -5.520 0.000 -2.366) 6.005 2.049 ( -1.878 0.000 -1.893) 2.667 2.064 ( 1.565 0.000 -1.463) 2.143 2.127 ( 3.223 0.000 -5.260) 6.169 2.147 ( -2.612 0.000 3.340) 4.240 2.183 ( 1.204 0.000 -1.289) 1.764 2.229 ( -4.485 0.000 -1.443) 4.711 2.288 ( 2.569 0.000 -2.437) 3.541 2.320 ( -3.091 0.000 2.161) 3.772 2.321 ( 2.190 0.000 -0.185) 2.198 2.356 ( -4.303 0.000 -2.939) 5.211 2.428 ( 0.745 0.000 -2.631) 2.735 2.475 ( -0.480 0.000 1.074) 1.177 2.513 ( -0.168 0.000 5.180) 5.183 2.551 ( -3.445 0.000 -1.629) 3.811 2.602 ( -1.377 0.000 4.850) 5.042 2.653 ( -0.047 0.000 0.000) 0.047 2.708 ( -2.429 0.000 2.506) 3.490 2.725 ( -1.522 0.000 -0.319) 1.555 2.774 ( 3.336 0.000 -2.010) 3.894 2.807 ( -0.812 0.000 3.663) 3.752 2.832 ( 0.052 0.000 -2.237) 2.238 2.838 ( 0.443 0.000 -0.598) 0.744 2.947 ( 0.978 0.000 -4.369) 4.478 2.957 ( 2.504 0.000 -3.342) 4.176 2.991 ( 3.457 0.000 -5.493) 6.491 3.032 ( 0.530 0.000 -0.057) 0.533 3.062 ( 0.969 0.000 -2.275) 2.473 3.091 ( -4.430 0.000 2.718) 5.198 3.119 ( 2.157 0.000 6.862) 7.193 3.151 ( -1.931 0.000 -1.303) 2.330 3.185 ( 1.048 0.000 2.020) 2.276 3.194 ( 0.094 0.000 -0.464) 0.474 3.232 ( 3.196 0.000 -2.269) 3.920 3.341 ( 0.299 0.000 -3.636) 3.648 3.361 ( 1.945 0.000 -3.951) 4.403 3.427 ( -0.331 0.000 -0.939) 0.995 3.481 ( 2.712 0.000 -1.910) 3.317 3.514 ( -0.700 0.000 1.990) 2.110 3.550 ( 1.038 0.000 0.842) 1.337 3.557 ( -1.335 0.000 -0.240) 1.356 3.665 ( 0.144 0.000 -2.258) 2.262 3.677 ( 4.359 0.000 -3.108) 5.353 3.767 ( 0.641 0.000 -4.161) 4.210 3.830 ( -5.598 0.000 2.664) 6.199 3.844 ( 1.870 0.000 2.278) 2.948 3.999 ( -1.171 0.000 7.578) 7.668 4.041 ( 1.365 0.000 1.688) 2.170 4.121 ( 0.345 0.000 2.993) 3.013 4.153 ( 1.595 0.000 -1.674) 2.312 4.208 ( -0.337 0.000 -1.687) 1.721 4.225 ( -1.833 0.000 -1.546) 2.398 4.513 ( 0.145 0.000 -1.064) 1.074 4.517 ( 0.838 0.000 -0.901) 1.231 4.629 ( 2.880 0.000 0.561) 2.935 4.693 ( 1.269 0.000 -0.128) 1.275 4.949 ( -3.559 0.000 5.809) 6.813 4.976 ( -4.473 0.000 3.383) 5.608 4.986 ( 1.542 0.000 1.979) 2.509 5.099 ( 2.796 0.000 -2.573) 3.800 5.161 ( -0.544 0.000 1.894) 1.971 5.262 ( -0.651 0.000 -2.455) 2.540 5.351 ( -2.013 0.000 -1.357) 2.428 5.354 ( 0.575 0.000 -0.749) 0.944 5.741 ( 1.537 0.000 -2.479) 2.917 5.780 ( -1.066 0.000 -2.044) 2.305 5.847 ( -2.741 0.000 0.327) 2.761 5.869 ( -1.123 0.000 -0.025) 1.124 6.609 ( 0.999 0.000 0.918) 1.357 6.695 ( -1.697 0.000 -3.458) 3.851 7.005 ( 1.433 0.000 3.742) 4.007 7.055 ( -1.070 0.000 1.416) 1.774 7.436 ( -0.564 0.000 1.488) 1.591 7.475 ( 0.597 0.000 -0.548) 0.811 7.663 ( 0.503 0.000 5.925) 5.946 7.788 ( -3.764 0.000 0.781) 3.844 8.249 ( 0.052 0.000 0.709) 0.711 8.283 ( 1.138 0.000 -1.096) 1.580 8.318 ( 0.200 0.000 1.580) 1.592 8.337 ( -1.291 0.000 0.308) 1.327 8.436 ( 0.435 0.000 0.228) 0.491 8.468 ( -1.123 0.000 -0.646) 1.295 8.574 ( 0.614 0.000 -0.395) 0.730 8.590 ( -0.238 0.000 -1.017) 1.044 9.202 ( 1.040 0.000 -1.364) 1.715 9.204 ( -0.593 0.000 -1.270) 1.401 9.366 ( -0.314 0.000 1.321) 1.358 9.382 ( 0.159 0.000 0.454) 0.481 ======================= Grid point 90 (45/78) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -13.855 0.000 1.744) 13.964 0.966 ( -14.516 0.000 -2.314) 14.699 1.103 ( 2.034 0.000 -2.330) 3.093 1.306 ( -1.463 0.000 1.909) 2.405 1.323 ( 5.533 0.000 1.945) 5.865 1.380 ( -3.030 0.000 -2.656) 4.029 1.415 ( -24.968 0.000 -0.603) 24.975 1.492 ( -0.106 0.000 2.024) 2.027 1.552 ( 5.775 0.000 -6.492) 8.689 1.580 ( 1.765 0.000 5.712) 5.979 1.631 ( -1.002 0.000 -1.303) 1.643 1.641 ( -4.364 0.000 -0.097) 4.365 1.690 ( -1.618 0.000 4.422) 4.709 1.792 ( -0.491 0.000 -0.844) 0.977 1.799 ( 2.497 0.000 1.486) 2.906 1.825 ( -0.047 0.000 -1.078) 1.079 1.860 ( -1.753 0.000 1.205) 2.127 1.877 ( -1.065 0.000 1.064) 1.506 1.942 ( 4.905 0.000 -1.834) 5.236 1.959 ( 1.459 0.000 -0.684) 1.612 2.017 ( 3.292 0.000 2.766) 4.300 2.039 ( 5.736 0.000 -5.055) 7.646 2.059 ( -0.576 0.000 -1.864) 1.951 2.132 ( 2.558 0.000 -2.524) 3.593 2.162 ( -0.839 0.000 1.100) 1.383 2.178 ( -0.303 0.000 2.437) 2.455 2.228 ( 4.409 0.000 -0.138) 4.411 2.276 ( -1.431 0.000 1.863) 2.349 2.305 ( 4.610 0.000 1.478) 4.841 2.360 ( 0.756 0.000 1.941) 2.083 2.380 ( 3.669 0.000 0.637) 3.724 2.430 ( 4.383 0.000 -2.028) 4.830 2.495 ( -1.207 0.000 0.150) 1.216 2.527 ( 2.647 0.000 1.218) 2.914 2.567 ( -1.083 0.000 5.043) 5.158 2.619 ( -3.391 0.000 3.149) 4.627 2.632 ( 0.451 0.000 -3.060) 3.093 2.679 ( -5.460 0.000 2.170) 5.875 2.738 ( 1.350 0.000 2.941) 3.236 2.776 ( -2.094 0.000 -3.143) 3.777 2.811 ( 3.201 0.000 0.204) 3.207 2.839 ( -0.466 0.000 0.687) 0.830 2.862 ( -0.454 0.000 3.648) 3.676 2.911 ( 1.956 0.000 -4.065) 4.512 2.933 ( 1.576 0.000 -4.895) 5.142 2.963 ( 2.007 0.000 -6.741) 7.034 3.006 ( -3.762 0.000 0.730) 3.833 3.020 ( -2.666 0.000 -1.163) 2.908 3.079 ( -1.504 0.000 1.695) 2.266 3.124 ( -0.326 0.000 0.705) 0.777 3.170 ( -0.128 0.000 -0.746) 0.756 3.196 ( -0.947 0.000 -0.054) 0.948 3.235 ( 2.209 0.000 1.439) 2.636 3.278 ( 2.746 0.000 1.111) 2.962 3.299 ( -1.338 0.000 -1.639) 2.116 3.361 ( 4.107 0.000 -3.633) 5.483 3.370 ( -3.093 0.000 -1.032) 3.261 3.439 ( -1.900 0.000 -3.684) 4.145 3.509 ( -4.183 0.000 3.040) 5.171 3.559 ( 2.283 0.000 -2.505) 3.390 3.584 ( 1.334 0.000 0.579) 1.454 3.621 ( -0.640 0.000 -2.490) 2.571 3.721 ( 1.271 0.000 -4.531) 4.706 3.733 ( 4.751 0.000 -0.410) 4.769 3.801 ( -2.872 0.000 2.232) 3.637 3.903 ( 2.317 0.000 1.837) 2.957 4.073 ( -1.205 0.000 6.063) 6.182 4.086 ( 0.843 0.000 2.216) 2.371 4.145 ( 2.123 0.000 -3.152) 3.800 4.154 ( 0.767 0.000 -2.412) 2.531 4.179 ( -1.015 0.000 -1.926) 2.177 4.191 ( 0.777 0.000 2.137) 2.274 4.504 ( -0.044 0.000 -0.350) 0.353 4.518 ( 0.771 0.000 -0.894) 1.180 4.666 ( 1.491 0.000 -0.074) 1.492 4.688 ( 0.780 0.000 -3.690) 3.772 4.954 ( -3.934 0.000 3.051) 4.978 4.960 ( -4.166 0.000 4.238) 5.942 5.022 ( 0.715 0.000 1.590) 1.743 5.100 ( 1.526 0.000 -3.093) 3.449 5.176 ( -0.675 0.000 2.590) 2.677 5.234 ( 1.086 0.000 -1.775) 2.080 5.332 ( 0.116 0.000 0.498) 0.511 5.368 ( 2.115 0.000 0.033) 2.115 5.728 ( -1.317 0.000 -2.309) 2.658 5.738 ( 0.221 0.000 0.660) 0.696 5.833 ( -1.867 0.000 2.075) 2.791 5.862 ( -0.659 0.000 0.713) 0.972 6.632 ( -1.487 0.000 -2.367) 2.795 6.649 ( 1.466 0.000 2.223) 2.663 7.048 ( -0.440 0.000 -0.604) 0.747 7.072 ( 2.198 0.000 2.030) 2.992 7.439 ( -1.473 0.000 1.196) 1.897 7.467 ( -0.485 0.000 -0.849) 0.978 7.723 ( -3.872 0.000 -1.462) 4.139 7.769 ( 1.889 0.000 7.847) 8.071 8.248 ( -0.949 0.000 0.571) 1.107 8.277 ( 0.210 0.000 -1.616) 1.630 8.328 ( -0.063 0.000 0.458) 0.463 8.357 ( 1.942 0.000 0.917) 2.147 8.447 ( -0.557 0.000 -0.687) 0.885 8.456 ( 1.043 0.000 1.287) 1.657 8.564 ( -1.100 0.000 -1.298) 1.702 8.580 ( 0.350 0.000 -0.023) 0.350 9.184 ( -0.395 0.000 -0.714) 0.816 9.204 ( 1.001 0.000 -0.549) 1.142 9.376 ( -0.205 0.000 0.799) 0.825 9.387 ( 0.128 0.000 -0.138) 0.188 ======================= Grid point 91 (46/78) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( -14.054 0.000 9.544) 16.988 0.626 ( -20.924 0.000 -3.928) 21.289 1.105 ( -26.416 0.000 14.601) 30.182 1.128 ( 2.784 0.000 -1.069) 2.982 1.223 ( -6.348 0.000 -3.609) 7.302 1.314 ( -2.289 0.000 3.789) 4.426 1.421 ( 3.111 0.000 -0.026) 3.111 1.484 ( -2.084 0.000 1.535) 2.588 1.525 ( 2.226 0.000 -4.276) 4.821 1.582 ( 1.450 0.000 -2.275) 2.698 1.627 ( -3.487 0.000 -0.220) 3.494 1.648 ( -0.036 0.000 -0.780) 0.780 1.700 ( -0.362 0.000 5.993) 6.004 1.775 ( 1.303 0.000 -2.281) 2.627 1.811 ( -0.894 0.000 -1.657) 1.883 1.814 ( -1.359 0.000 0.105) 1.363 1.872 ( 1.451 0.000 -1.603) 2.163 1.905 ( -0.041 0.000 4.163) 4.163 1.944 ( 3.741 0.000 -3.740) 5.290 1.974 ( -1.661 0.000 -3.204) 3.609 2.047 ( 8.958 0.000 -1.480) 9.079 2.080 ( 1.471 0.000 2.448) 2.856 2.102 ( 1.554 0.000 -5.476) 5.692 2.137 ( 3.743 0.000 4.046) 5.512 2.185 ( -1.225 0.000 1.293) 1.782 2.217 ( 2.745 0.000 2.612) 3.789 2.292 ( 5.524 0.000 -0.811) 5.583 2.314 ( -0.249 0.000 2.661) 2.673 2.378 ( 0.006 0.000 -0.103) 0.103 2.423 ( 1.662 0.000 -0.384) 1.705 2.465 ( 4.934 0.000 -4.331) 6.566 2.468 ( 4.848 0.000 6.690) 8.262 2.508 ( 0.813 0.000 -2.371) 2.507 2.547 ( -2.658 0.000 4.759) 5.451 2.598 ( -5.183 0.000 -2.039) 5.570 2.599 ( -2.583 0.000 2.134) 3.350 2.628 ( 1.604 0.000 1.674) 2.318 2.635 ( 3.396 0.000 0.749) 3.477 2.705 ( -2.257 0.000 -1.162) 2.538 2.805 ( -2.063 0.000 -1.941) 2.833 2.805 ( 0.527 0.000 1.858) 1.932 2.833 ( -1.058 0.000 -1.404) 1.758 2.877 ( 0.995 0.000 -5.959) 6.042 2.885 ( -2.064 0.000 0.695) 2.178 2.902 ( 0.172 0.000 -1.169) 1.182 2.906 ( -0.259 0.000 2.152) 2.167 2.979 ( -1.465 0.000 0.443) 1.531 2.992 ( 2.614 0.000 -1.314) 2.926 3.058 ( -3.578 0.000 0.447) 3.606 3.141 ( -0.933 0.000 1.079) 1.426 3.160 ( -0.408 0.000 1.771) 1.818 3.178 ( -0.393 0.000 -0.023) 0.394 3.234 ( 0.230 0.000 -1.546) 1.563 3.278 ( -2.979 0.000 2.861) 4.131 3.298 ( -1.815 0.000 -1.027) 2.086 3.356 ( 0.520 0.000 -0.129) 0.536 3.358 ( -0.305 0.000 2.474) 2.493 3.409 ( 6.888 0.000 -7.167) 9.940 3.481 ( -4.125 0.000 2.967) 5.081 3.546 ( 0.745 0.000 -1.896) 2.037 3.581 ( -0.756 0.000 -2.419) 2.535 3.592 ( -1.442 0.000 0.666) 1.588 3.708 ( 2.248 0.000 -0.770) 2.377 3.792 ( -0.936 0.000 0.590) 1.107 3.794 ( 3.861 0.000 -0.590) 3.906 3.948 ( 0.611 0.000 1.157) 1.308 4.097 ( -0.084 0.000 -3.171) 3.172 4.105 ( 1.208 0.000 -0.288) 1.242 4.128 ( 1.200 0.000 -1.238) 1.724 4.137 ( -0.412 0.000 -2.357) 2.393 4.160 ( 0.728 0.000 0.515) 0.892 4.242 ( 0.522 0.000 2.269) 2.328 4.503 ( 0.104 0.000 -0.058) 0.119 4.518 ( 1.042 0.000 -1.067) 1.491 4.609 ( -2.110 0.000 -6.425) 6.762 4.671 ( 0.297 0.000 -1.170) 1.208 4.905 ( -5.187 0.000 1.231) 5.331 4.969 ( -2.321 0.000 4.063) 4.679 5.054 ( 0.219 0.000 0.115) 0.248 5.079 ( 2.106 0.000 -1.178) 2.413 5.214 ( -0.708 0.000 4.402) 4.459 5.233 ( 1.803 0.000 -2.772) 3.306 5.353 ( 0.914 0.000 1.082) 1.416 5.413 ( 2.431 0.000 1.140) 2.685 5.698 ( -0.532 0.000 0.186) 0.564 5.790 ( 1.764 0.000 3.719) 4.116 5.839 ( -1.737 0.000 3.305) 3.734 5.885 ( 1.466 0.000 5.748) 5.932 6.598 ( -0.360 0.000 -0.671) 0.761 6.697 ( 0.637 0.000 2.245) 2.334 7.029 ( 0.357 0.000 -2.381) 2.408 7.113 ( 1.765 0.000 -0.564) 1.853 7.425 ( -1.924 0.000 0.816) 2.090 7.444 ( -0.849 0.000 -0.994) 1.307 7.650 ( -2.650 0.000 -1.852) 3.233 7.887 ( 2.813 0.000 1.253) 3.079 8.241 ( -0.949 0.000 0.602) 1.124 8.263 ( 0.875 0.000 -1.016) 1.341 8.345 ( 0.776 0.000 0.931) 1.212 8.382 ( 1.067 0.000 -0.523) 1.189 8.438 ( 0.309 0.000 -0.148) 0.342 8.499 ( 1.932 0.000 1.494) 2.442 8.544 ( -0.480 0.000 1.616) 1.686 8.579 ( -0.619 0.000 0.091) 0.625 9.177 ( -0.076 0.000 0.228) 0.241 9.219 ( 0.958 0.000 0.643) 1.153 9.381 ( 0.105 0.000 0.416) 0.429 9.384 ( 0.146 0.000 -0.528) 0.548 ======================= Grid point 92 (47/78) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( -1.592 0.000 18.553) 18.621 0.568 ( -7.425 0.000 17.281) 18.809 0.998 ( -21.118 0.000 23.156) 31.340 1.171 ( 2.809 0.000 2.164) 3.546 1.171 ( 0.811 0.000 3.522) 3.614 1.351 ( 0.047 0.000 5.029) 5.029 1.450 ( 2.107 0.000 -0.203) 2.117 1.485 ( -3.374 0.000 3.246) 4.682 1.503 ( -0.136 0.000 -3.450) 3.453 1.584 ( 0.993 0.000 -2.231) 2.442 1.594 ( 5.272 0.000 -3.801) 6.500 1.628 ( -0.777 0.000 -2.104) 2.243 1.748 ( -3.654 0.000 5.089) 6.265 1.760 ( 2.180 0.000 -2.754) 3.512 1.783 ( 0.506 0.000 -5.724) 5.747 1.796 ( -0.098 0.000 -0.449) 0.460 1.806 ( -4.313 0.000 2.026) 4.765 1.945 ( -0.126 0.000 1.113) 1.120 1.982 ( 4.484 0.000 -1.457) 4.714 2.010 ( 3.598 0.000 1.971) 4.103 2.055 ( 1.985 0.000 -4.996) 5.376 2.129 ( 0.087 0.000 3.241) 3.242 2.129 ( 5.853 0.000 -3.205) 6.673 2.174 ( -3.641 0.000 1.944) 4.128 2.200 ( -0.521 0.000 1.774) 1.849 2.275 ( 1.581 0.000 0.058) 1.582 2.296 ( -4.738 0.000 -0.463) 4.761 2.344 ( 3.063 0.000 -3.247) 4.464 2.378 ( 3.556 0.000 -0.865) 3.659 2.391 ( -0.031 0.000 -5.865) 5.865 2.457 ( -0.858 0.000 -0.668) 1.087 2.473 ( 1.146 0.000 -0.505) 1.252 2.484 ( -4.389 0.000 0.550) 4.424 2.518 ( -2.359 0.000 -2.017) 3.104 2.573 ( -2.920 0.000 0.366) 2.943 2.650 ( 3.200 0.000 2.969) 4.365 2.662 ( 0.841 0.000 0.039) 0.842 2.676 ( 1.516 0.000 -2.830) 3.210 2.706 ( -3.224 0.000 5.185) 6.106 2.734 ( -2.635 0.000 -3.551) 4.422 2.799 ( 0.431 0.000 -1.849) 1.898 2.807 ( 3.174 0.000 2.874) 4.281 2.845 ( -4.308 0.000 1.139) 4.456 2.852 ( -0.255 0.000 0.058) 0.262 2.923 ( -0.328 0.000 1.091) 1.139 2.940 ( -0.006 0.000 2.975) 2.975 3.002 ( 0.698 0.000 -1.141) 1.337 3.025 ( 3.773 0.000 3.993) 5.494 3.035 ( 1.394 0.000 0.267) 1.419 3.119 ( -3.368 0.000 2.547) 4.222 3.171 ( 1.734 0.000 -4.029) 4.386 3.193 ( -0.191 0.000 3.141) 3.147 3.256 ( 0.207 0.000 3.219) 3.226 3.263 ( 0.175 0.000 -0.747) 0.768 3.273 ( -0.831 0.000 1.209) 1.467 3.369 ( 0.198 0.000 0.208) 0.287 3.387 ( -0.041 0.000 1.115) 1.116 3.428 ( 6.976 0.000 -5.432) 8.841 3.477 ( -2.187 0.000 3.953) 4.518 3.539 ( 1.352 0.000 -3.005) 3.295 3.555 ( 0.227 0.000 0.361) 0.427 3.557 ( -3.354 0.000 -0.559) 3.401 3.758 ( 1.552 0.000 -0.457) 1.618 3.810 ( 4.090 0.000 2.622) 4.858 3.817 ( 2.294 0.000 -3.657) 4.317 3.948 ( -2.113 0.000 1.330) 2.497 4.043 ( 0.927 0.000 -4.729) 4.819 4.092 ( -1.490 0.000 -2.033) 2.520 4.119 ( 1.078 0.000 -1.272) 1.668 4.124 ( -0.868 0.000 -0.385) 0.950 4.168 ( 1.064 0.000 -1.156) 1.571 4.245 ( -1.784 0.000 -0.331) 1.814 4.492 ( -0.746 0.000 -0.964) 1.219 4.525 ( 1.750 0.000 -1.029) 2.030 4.532 ( -0.754 0.000 -0.123) 0.764 4.646 ( -0.895 0.000 -2.086) 2.270 4.854 ( -3.951 0.000 2.051) 4.451 4.992 ( -1.519 0.000 4.022) 4.299 5.027 ( 0.844 0.000 -3.806) 3.899 5.138 ( 3.012 0.000 1.947) 3.587 5.210 ( 0.843 0.000 -3.562) 3.660 5.248 ( -1.603 0.000 3.013) 3.413 5.378 ( 0.228 0.000 1.494) 1.511 5.453 ( 0.875 0.000 0.737) 1.144 5.716 ( 0.556 0.000 1.797) 1.881 5.808 ( -0.343 0.000 -0.608) 0.698 5.876 ( -1.227 0.000 6.347) 6.464 6.101 ( 11.372 0.000 5.338) 12.563 6.604 ( 0.854 0.000 1.196) 1.469 6.716 ( -1.154 0.000 1.244) 1.697 6.990 ( -1.027 0.000 -3.116) 3.281 7.104 ( 0.305 0.000 -3.236) 3.250 7.406 ( -1.797 0.000 0.618) 1.900 7.423 ( -0.185 0.000 -0.880) 0.899 7.606 ( -0.567 0.000 -1.070) 1.211 7.800 ( -6.876 0.000 -7.380) 10.087 8.235 ( -0.930 0.000 0.625) 1.120 8.268 ( 1.328 0.000 -1.559) 2.048 8.364 ( 0.064 0.000 0.828) 0.831 8.383 ( 0.626 0.000 -0.957) 1.144 8.450 ( 0.426 0.000 0.599) 0.735 8.537 ( 1.285 0.000 -0.089) 1.288 8.565 ( -1.333 0.000 0.429) 1.400 8.595 ( 2.443 0.000 0.587) 2.512 9.190 ( 0.415 0.000 1.435) 1.494 9.244 ( 0.532 0.000 1.099) 1.221 9.379 ( 0.254 0.000 -0.646) 0.694 9.389 ( 0.669 0.000 -0.748) 1.004 ======================= Grid point 93 (48/78) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -0.958 1.468 15.959) 16.055 0.880 ( 0.724 4.320 17.735) 18.268 1.159 ( 3.626 -0.988 1.149) 3.929 1.174 ( -0.693 -4.792 6.954) 8.474 1.236 ( -0.900 -7.077 5.739) 9.156 1.373 ( 2.657 1.582 -0.019) 3.092 1.407 ( 2.835 -3.657 -5.549) 7.225 1.446 ( -0.378 -3.206 -3.883) 5.049 1.496 ( 3.516 1.671 2.833) 4.814 1.532 ( -1.838 1.174 0.522) 2.243 1.559 ( -1.952 0.058 -1.771) 2.636 1.652 ( -0.611 1.264 1.778) 2.266 1.712 ( 0.273 -3.018 2.560) 3.967 1.720 ( 2.311 5.396 2.078) 6.227 1.819 ( -1.432 1.497 1.345) 2.470 1.867 ( -0.323 4.496 -0.318) 4.518 1.886 ( -0.787 1.186 -0.683) 1.578 1.915 ( -4.732 -2.335 -1.468) 5.477 1.946 ( -0.627 -0.445 2.126) 2.261 1.994 ( -2.106 -0.792 2.679) 3.499 2.055 ( 0.897 -0.982 1.578) 2.064 2.110 ( 1.615 -1.683 0.881) 2.494 2.118 ( -0.097 0.013 -0.834) 0.840 2.201 ( 3.444 1.530 -0.967) 3.891 2.207 ( -2.769 -2.207 -3.364) 4.884 2.226 ( 1.528 -2.366 -0.107) 2.818 2.257 ( -0.981 1.807 0.430) 2.101 2.293 ( -1.239 1.522 -4.586) 4.988 2.318 ( -2.414 3.168 -3.633) 5.390 2.397 ( -3.570 -2.244 -2.234) 4.771 2.398 ( 1.175 -2.260 0.820) 2.676 2.440 ( -3.133 -0.669 -0.043) 3.204 2.476 ( 0.176 -1.757 -0.460) 1.824 2.540 ( -0.414 2.637 0.532) 2.722 2.596 ( 1.107 1.774 -3.210) 3.831 2.605 ( -3.155 1.017 -3.509) 4.827 2.634 ( -1.269 -0.168 -0.706) 1.462 2.656 ( -0.932 -1.858 1.087) 2.346 2.704 ( -0.755 1.659 -2.832) 3.367 2.755 ( -2.371 1.288 -2.313) 3.554 2.773 ( 3.911 1.156 0.478) 4.106 2.829 ( 0.239 -0.298 -0.570) 0.686 2.843 ( -0.217 -3.723 2.272) 4.367 2.872 ( 0.306 -0.474 1.886) 1.968 2.924 ( 1.856 1.012 4.114) 4.625 3.009 ( 0.851 -0.086 2.764) 2.893 3.029 ( -0.378 1.186 1.566) 2.000 3.054 ( 0.833 -0.703 1.913) 2.202 3.088 ( -1.646 -1.751 2.207) 3.263 3.131 ( 2.670 -0.169 0.639) 2.750 3.154 ( 1.353 1.265 -3.451) 3.917 3.202 ( 1.575 -1.376 -1.391) 2.511 3.250 ( -1.344 -1.780 2.770) 3.556 3.291 ( -0.174 0.699 -0.818) 1.090 3.305 ( 1.856 0.217 -0.012) 1.868 3.390 ( 2.476 -2.454 0.939) 3.610 3.448 ( 2.395 2.959 2.042) 4.320 3.465 ( -0.570 3.641 0.863) 3.785 3.495 ( 3.385 1.250 0.427) 3.633 3.510 ( -3.198 2.291 -1.448) 4.192 3.543 ( 3.358 1.001 -2.466) 4.285 3.605 ( 0.058 0.038 -1.991) 1.992 3.718 ( 0.414 -4.325 -4.396) 6.181 3.726 ( 0.273 -1.491 -2.233) 2.699 3.899 ( 1.723 0.251 1.588) 2.356 3.964 ( -0.956 -0.188 -1.360) 1.673 3.985 ( 0.153 -0.388 0.820) 0.920 4.040 ( 0.046 -1.180 -1.042) 1.575 4.071 ( -0.145 -1.032 0.372) 1.106 4.100 ( -0.882 -0.977 0.061) 1.317 4.177 ( 1.474 -0.366 -1.516) 2.146 4.187 ( -2.415 -0.539 -1.483) 2.885 4.518 ( -0.515 2.469 -0.503) 2.572 4.538 ( 1.330 0.458 -0.814) 1.625 4.565 ( 2.643 1.021 -1.429) 3.173 4.614 ( -0.856 0.442 -2.266) 2.462 4.884 ( -2.980 3.341 2.876) 5.321 4.989 ( 0.325 -0.414 -2.258) 2.318 5.025 ( -0.872 0.816 3.642) 3.833 5.145 ( -0.260 -2.070 -1.636) 2.651 5.200 ( 1.771 0.109 1.512) 2.331 5.248 ( -1.558 -0.129 -0.203) 1.577 5.400 ( -0.404 0.101 1.478) 1.536 5.443 ( -0.842 -1.196 -0.331) 1.499 5.755 ( 0.388 1.017 1.114) 1.558 5.789 ( -0.417 -0.175 -0.585) 0.739 5.960 ( -1.099 0.314 7.920) 8.002 6.112 ( 0.668 -7.140 1.548) 7.336 6.664 ( 1.754 0.493 2.385) 3.002 6.692 ( -1.678 -0.500 0.592) 1.849 6.953 ( -0.737 1.114 -0.388) 1.391 7.030 ( -0.985 -1.517 -4.046) 4.432 7.423 ( -0.974 2.528 -0.040) 2.709 7.439 ( 0.926 1.869 -0.691) 2.197 7.585 ( 0.860 -2.063 -0.070) 2.236 7.591 ( -4.400 -2.807 -0.148) 5.221 8.272 ( 0.267 3.035 -0.145) 3.050 8.304 ( -0.006 3.084 -1.798) 3.570 8.368 ( -0.328 -0.065 0.279) 0.435 8.381 ( 0.027 0.019 -0.834) 0.834 8.456 ( -0.628 -0.358 0.835) 1.105 8.506 ( -1.394 -1.320 -1.131) 2.228 8.561 ( 0.516 -0.646 0.453) 0.943 8.579 ( 0.177 -1.605 -0.145) 1.621 9.227 ( 0.516 0.523 1.931) 2.066 9.255 ( 0.249 -0.543 1.006) 1.170 9.367 ( -0.275 -0.124 -0.801) 0.856 9.376 ( -0.116 -0.159 -1.291) 1.306 ======================= Grid point 94 (49/78) ======================= q-point: ( 0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -4.107 -1.954 13.464) 14.211 1.005 ( -5.125 -1.505 -4.142) 6.759 1.155 ( 6.602 1.317 2.916) 7.336 1.211 ( -3.663 -3.468 5.261) 7.288 1.325 ( 4.159 -1.542 -9.033) 10.063 1.358 ( -1.648 -2.307 -4.678) 5.470 1.383 ( 1.939 -6.067 -5.333) 8.307 1.404 ( 1.686 -3.677 3.039) 5.060 1.475 ( -0.422 -0.133 0.363) 0.572 1.559 ( 3.087 -0.337 -0.156) 3.109 1.624 ( -4.068 0.992 0.285) 4.197 1.661 ( -0.775 0.769 -3.027) 3.218 1.711 ( 2.142 1.421 6.203) 6.715 1.782 ( 0.104 0.658 2.654) 2.737 1.810 ( 0.096 1.356 0.270) 1.386 1.840 ( 0.501 3.810 1.851) 4.265 1.873 ( -1.158 4.099 -0.364) 4.275 1.923 ( -3.806 1.122 3.995) 5.630 1.955 ( 2.585 0.193 0.077) 2.594 2.001 ( -2.495 -0.631 5.728) 6.279 2.061 ( 0.091 1.205 -2.325) 2.620 2.072 ( -3.203 -4.047 0.734) 5.213 2.130 ( -0.910 1.228 -2.126) 2.618 2.143 ( 0.166 -2.428 0.291) 2.451 2.165 ( -2.336 -0.730 -4.009) 4.697 2.227 ( -3.947 1.931 -0.093) 4.394 2.242 ( 0.733 0.440 -1.716) 1.917 2.291 ( 3.192 4.043 2.249) 5.621 2.317 ( 4.533 -2.351 1.768) 5.404 2.354 ( -2.239 -1.275 -0.932) 2.740 2.374 ( -1.972 1.936 2.025) 3.426 2.450 ( 0.549 -3.398 2.479) 4.242 2.475 ( 0.764 2.402 1.888) 3.150 2.517 ( -3.036 1.998 -0.355) 3.652 2.559 ( 1.002 -0.888 -4.573) 4.765 2.614 ( 3.722 -0.735 1.871) 4.230 2.642 ( 0.452 -1.061 1.299) 1.737 2.656 ( -0.946 1.887 0.585) 2.190 2.685 ( 0.969 1.063 1.120) 1.824 2.709 ( 0.070 1.326 -0.410) 1.389 2.779 ( -1.480 -2.298 -0.920) 2.884 2.828 ( 0.790 -0.354 -0.884) 1.238 2.874 ( 1.048 -1.676 1.185) 2.305 2.912 ( 2.928 -1.264 -0.559) 3.238 2.986 ( 0.087 0.262 2.516) 2.531 3.030 ( 0.868 0.624 -2.308) 2.544 3.042 ( -1.195 1.733 1.149) 2.398 3.069 ( -0.407 0.337 0.059) 0.531 3.084 ( -1.941 -2.225 1.796) 3.456 3.141 ( 2.184 0.509 -2.226) 3.160 3.158 ( 0.296 -1.878 0.405) 1.943 3.203 ( 0.734 -1.966 -1.216) 2.425 3.223 ( -0.625 -0.031 -2.681) 2.753 3.304 ( 1.471 0.584 -0.973) 1.858 3.331 ( 1.022 -0.796 -0.065) 1.297 3.404 ( -3.028 2.422 -1.159) 4.047 3.428 ( 2.815 -1.321 -2.578) 4.039 3.449 ( -2.426 0.850 -0.909) 2.727 3.519 ( -0.433 1.692 -3.346) 3.775 3.526 ( 2.703 3.789 0.274) 4.662 3.579 ( 3.151 0.316 2.621) 4.110 3.615 ( 3.922 0.007 0.451) 3.947 3.685 ( -0.927 -2.879 -0.948) 3.169 3.703 ( 1.567 -1.483 -2.657) 3.422 3.901 ( -3.270 0.645 1.426) 3.625 3.921 ( -1.695 -0.459 -2.485) 3.043 3.994 ( 0.662 1.433 1.191) 1.977 4.035 ( -0.200 -0.815 -1.026) 1.325 4.066 ( -2.390 -1.794 0.584) 3.045 4.113 ( 3.194 -0.413 -0.398) 3.245 4.149 ( -0.756 1.140 -0.037) 1.368 4.193 ( 1.920 -1.098 0.169) 2.218 4.508 ( -0.393 -0.123 -0.097) 0.423 4.550 ( 1.658 0.447 -1.326) 2.170 4.567 ( -0.528 0.418 -2.070) 2.177 4.594 ( 1.803 0.597 0.079) 1.901 4.886 ( -2.764 2.688 3.929) 5.505 4.963 ( 0.149 1.246 -2.077) 2.427 5.052 ( -2.165 -0.346 3.755) 4.348 5.112 ( -0.902 -1.289 -1.841) 2.422 5.191 ( -2.051 1.233 -1.023) 2.603 5.263 ( 1.802 -0.800 1.046) 2.232 5.416 ( -0.746 -0.821 1.479) 1.848 5.422 ( -1.007 -1.014 0.057) 1.431 5.771 ( 0.005 0.520 0.650) 0.833 5.776 ( 0.067 0.355 -0.444) 0.573 6.015 ( -3.551 -0.602 5.328) 6.431 6.078 ( -3.719 -3.336 -1.939) 5.360 6.672 ( -1.360 0.958 -0.026) 1.664 6.723 ( 2.295 -1.196 1.354) 2.921 6.954 ( -0.498 -0.001 1.634) 1.708 6.963 ( -1.825 -0.277 -2.395) 3.024 7.414 ( -0.323 2.255 0.323) 2.301 7.452 ( 1.643 1.782 -0.551) 2.486 7.552 ( -1.584 -1.223 1.002) 2.238 7.621 ( 2.671 -2.793 1.151) 4.032 8.263 ( -0.918 3.300 -0.177) 3.430 8.299 ( 1.012 2.390 -0.551) 2.653 8.349 ( -1.529 -0.395 0.030) 1.580 8.387 ( 0.547 0.810 0.035) 0.978 8.449 ( -2.146 -1.915 0.931) 3.023 8.478 ( -0.800 -1.035 0.306) 1.343 8.570 ( 0.260 -0.501 0.031) 0.565 8.582 ( 0.590 -1.045 -0.282) 1.232 9.252 ( -0.143 0.078 0.983) 0.997 9.259 ( -0.161 -0.112 -0.507) 0.543 9.353 ( -0.620 0.044 -0.005) 0.622 9.363 ( -0.070 -0.261 -0.504) 0.572 ======================= Grid point 95 (50/78) ======================= q-point: ( 0.25 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 1.369 -0.915 -7.608) 7.784 0.972 ( 0.040 -2.603 6.371) 6.882 1.148 ( 0.866 4.482 -10.904) 11.821 1.220 ( -4.111 -4.247 -0.693) 5.952 1.260 ( -0.976 3.675 -0.698) 3.866 1.290 ( 1.468 -4.729 -0.096) 4.952 1.414 ( 1.751 1.433 5.456) 5.906 1.460 ( 4.767 -5.188 -1.648) 7.236 1.501 ( 2.733 -3.898 -2.163) 5.230 1.551 ( -5.026 7.146 1.846) 8.930 1.617 ( 0.197 -2.454 -2.318) 3.382 1.648 ( 0.465 -1.533 2.975) 3.379 1.698 ( 0.252 -5.975 -0.571) 6.008 1.762 ( -5.655 2.109 1.606) 6.246 1.803 ( 0.027 2.345 -2.172) 3.197 1.842 ( -1.358 2.244 1.609) 3.078 1.920 ( 0.980 1.837 -1.509) 2.571 1.927 ( -1.678 1.549 3.910) 4.528 1.963 ( 2.054 1.016 -4.047) 4.651 2.008 ( -4.302 -3.800 -0.136) 5.742 2.018 ( -1.952 -0.326 1.267) 2.350 2.057 ( -0.736 -2.372 -0.666) 2.571 2.076 ( -0.108 -1.096 -1.313) 1.714 2.139 ( 0.143 -2.135 -1.185) 2.446 2.169 ( 0.577 1.992 2.588) 3.316 2.225 ( 1.286 -0.316 -2.154) 2.528 2.251 ( 1.038 -1.906 2.386) 3.226 2.272 ( -4.171 0.808 -1.178) 4.409 2.348 ( 1.341 -0.887 1.874) 2.469 2.365 ( 2.397 1.733 2.647) 3.969 2.458 ( -1.840 -0.731 1.279) 2.357 2.482 ( 0.211 -0.574 2.368) 2.446 2.495 ( -0.749 4.748 2.403) 5.373 2.537 ( 1.798 3.967 0.945) 4.457 2.563 ( 3.414 4.528 4.507) 7.244 2.626 ( -0.294 0.131 -0.120) 0.344 2.659 ( -1.066 1.979 -0.472) 2.297 2.681 ( 1.572 -2.455 0.860) 3.039 2.706 ( 1.687 -1.006 1.873) 2.714 2.748 ( 1.625 -1.607 -0.117) 2.288 2.789 ( -0.357 -2.410 -0.529) 2.493 2.806 ( 0.171 1.183 2.012) 2.340 2.896 ( 0.814 -1.675 -2.056) 2.774 2.930 ( 1.601 0.484 -4.049) 4.381 2.961 ( -0.982 1.466 -4.366) 4.709 2.995 ( -0.484 -0.676 0.176) 0.850 3.026 ( -1.049 0.602 -0.206) 1.227 3.063 ( -1.102 0.777 1.441) 1.973 3.077 ( 1.643 0.402 -0.827) 1.883 3.128 ( -1.184 -0.809 -0.827) 1.655 3.187 ( -0.859 -0.888 2.028) 2.375 3.200 ( 3.268 -1.137 -2.136) 4.066 3.208 ( 1.757 0.407 -2.326) 2.944 3.272 ( -1.284 -0.538 -2.406) 2.780 3.326 ( -0.766 -0.384 0.854) 1.210 3.376 ( 1.247 -1.506 -1.349) 2.375 3.399 ( -0.130 -0.073 -3.442) 3.445 3.438 ( 0.644 -1.771 -3.664) 4.120 3.463 ( 1.331 3.264 -2.078) 4.092 3.545 ( 0.335 0.884 -1.385) 1.677 3.636 ( 0.884 0.390 0.942) 1.350 3.662 ( 1.122 -2.116 -0.508) 2.449 3.695 ( 0.911 0.929 -2.104) 2.473 3.719 ( 2.175 -1.126 5.738) 6.239 3.841 ( -1.862 1.003 -3.040) 3.703 3.905 ( -1.255 1.524 2.962) 3.560 3.988 ( -3.240 1.115 -0.305) 3.440 4.025 ( 0.254 0.767 -1.552) 1.750 4.048 ( 0.014 -1.435 1.900) 2.381 4.142 ( 1.032 0.186 -0.356) 1.107 4.166 ( 1.630 -0.041 0.792) 1.813 4.231 ( 1.266 -0.950 1.459) 2.153 4.502 ( -0.513 -0.554 -0.272) 0.803 4.531 ( 0.457 -1.747 -1.099) 2.114 4.570 ( 1.919 1.628 -1.311) 2.838 4.625 ( 1.158 -0.257 1.070) 1.597 4.897 ( -2.896 1.663 4.311) 5.453 4.948 ( 0.190 2.189 -0.180) 2.205 5.049 ( -5.206 -1.846 2.994) 6.283 5.075 ( 0.082 -1.748 -1.396) 2.239 5.165 ( 0.374 3.035 -0.818) 3.166 5.290 ( 0.616 -1.151 0.214) 1.322 5.397 ( -1.182 -0.204 -0.400) 1.265 5.427 ( -1.211 -0.801 1.057) 1.796 5.764 ( 0.348 0.512 -1.130) 1.288 5.788 ( 0.089 0.018 0.818) 0.823 5.979 ( -4.545 -1.031 -1.909) 5.036 5.992 ( -4.812 -1.046 0.089) 4.925 6.648 ( -0.761 1.961 -1.268) 2.456 6.753 ( 1.276 -2.166 -1.167) 2.772 6.927 ( -1.415 0.570 1.211) 1.947 6.981 ( -0.712 -1.443 3.577) 3.922 7.422 ( 0.328 1.993 0.879) 2.203 7.469 ( 1.541 1.364 -0.496) 2.117 7.561 ( 0.024 0.085 2.011) 2.013 7.686 ( 2.404 -3.755 2.549) 5.136 8.252 ( -0.427 2.696 0.163) 2.734 8.308 ( 0.714 2.424 -0.208) 2.536 8.332 ( -1.166 -0.594 0.583) 1.433 8.386 ( -1.552 2.177 0.639) 2.748 8.427 ( -0.893 -2.299 -0.118) 2.469 8.482 ( -0.799 -1.519 1.268) 2.134 8.570 ( 0.016 -0.588 -0.284) 0.654 8.585 ( 0.291 -0.942 -0.366) 1.052 9.235 ( -0.270 0.125 -1.842) 1.866 9.251 ( -0.540 -0.391 -0.634) 0.920 9.351 ( -0.658 0.259 1.092) 1.301 9.362 ( -0.093 -0.177 0.538) 0.574 ======================= Grid point 96 (51/78) ======================= q-point: ( 0.38 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 11.945 2.772 -0.482) 12.271 1.050 ( 5.888 7.165 -6.372) 11.252 1.078 ( -0.882 0.581 0.920) 1.401 1.171 ( -2.066 -2.840 6.645) 7.516 1.270 ( 3.718 0.745 -3.956) 5.480 1.292 ( -1.736 -5.377 3.890) 6.860 1.457 ( -7.055 -0.642 0.178) 7.087 1.495 ( 4.004 -3.857 -2.905) 6.273 1.520 ( -1.043 5.636 5.131) 7.693 1.537 ( 3.841 -2.754 1.145) 4.864 1.589 ( -2.573 -0.541 1.141) 2.866 1.661 ( 1.100 0.770 0.049) 1.344 1.714 ( 0.728 -4.866 1.715) 5.211 1.777 ( -0.175 0.231 0.666) 0.727 1.796 ( 1.052 0.120 1.484) 1.823 1.831 ( 0.524 -0.831 -1.484) 1.779 1.885 ( -3.324 0.169 -0.519) 3.368 1.895 ( -0.040 0.060 -1.938) 1.939 1.928 ( -1.599 -0.313 -3.218) 3.607 1.968 ( 0.841 -1.879 -1.342) 2.457 2.017 ( -2.634 -0.271 2.018) 3.329 2.023 ( 0.232 2.581 -2.561) 3.644 2.062 ( -1.118 -2.192 0.789) 2.584 2.122 ( -0.557 -3.158 -1.359) 3.483 2.187 ( -1.617 -2.699 -1.027) 3.310 2.194 ( 1.129 -2.791 -2.581) 3.966 2.243 ( -1.318 -2.084 0.109) 2.468 2.270 ( 1.131 5.387 0.034) 5.505 2.388 ( -2.883 1.274 -0.288) 3.165 2.407 ( -0.837 3.446 3.102) 4.712 2.432 ( -2.112 -0.265 -0.001) 2.129 2.469 ( 2.259 -0.979 0.127) 2.466 2.498 ( -2.711 3.391 0.574) 4.379 2.547 ( -5.391 -1.077 -1.130) 5.613 2.595 ( -0.437 5.050 -1.822) 5.386 2.627 ( -3.310 -2.137 -2.241) 4.532 2.649 ( -0.467 2.005 2.696) 3.393 2.693 ( 1.124 -0.237 1.502) 1.891 2.740 ( 0.260 -0.742 -4.088) 4.163 2.765 ( 2.354 0.000 1.535) 2.810 2.791 ( 2.407 -1.571 -0.234) 2.884 2.800 ( -1.348 1.324 1.313) 2.301 2.882 ( -0.363 -0.837 -1.736) 1.961 2.892 ( 2.598 -1.721 -1.213) 3.344 2.939 ( 1.705 0.627 -2.561) 3.140 2.997 ( 1.961 -0.776 -3.018) 3.682 3.025 ( -1.969 -0.362 2.085) 2.891 3.061 ( -0.740 2.232 1.185) 2.634 3.105 ( -1.240 -1.511 1.374) 2.389 3.121 ( 3.743 2.867 -0.538) 4.746 3.169 ( -1.327 1.062 -0.156) 1.707 3.207 ( 0.269 1.703 -0.986) 1.986 3.213 ( 2.961 2.347 -2.625) 4.601 3.247 ( 0.241 -0.576 -0.652) 0.902 3.345 ( 0.640 -1.530 -1.822) 2.464 3.357 ( -0.998 -1.215 -1.903) 2.469 3.376 ( 0.884 -3.029 0.733) 3.239 3.419 ( 3.419 -3.798 -1.080) 5.223 3.488 ( 3.180 1.519 -1.016) 3.668 3.523 ( 1.029 -0.507 -1.912) 2.230 3.639 ( -0.397 -1.592 0.127) 1.645 3.656 ( -1.854 3.356 -0.640) 3.887 3.701 ( 2.914 -0.732 -0.854) 3.124 3.789 ( -0.519 2.924 -2.247) 3.724 3.819 ( 1.360 -0.047 4.381) 4.588 3.922 ( -2.324 2.206 -1.242) 3.437 3.942 ( -1.844 0.970 4.388) 4.857 4.009 ( 0.256 -0.969 -0.479) 1.111 4.086 ( 0.793 0.467 2.266) 2.446 4.150 ( 0.411 0.869 -0.160) 0.975 4.184 ( 0.440 -1.831 -0.588) 1.973 4.254 ( -0.036 -0.948 0.277) 0.989 4.491 ( -0.433 -0.466 0.247) 0.682 4.550 ( 2.196 -2.515 0.195) 3.345 4.575 ( 1.188 2.573 -1.355) 3.142 4.651 ( 0.685 -1.333 0.701) 1.655 4.913 ( -2.688 0.417 4.930) 5.630 4.968 ( 0.184 1.535 2.410) 2.863 4.999 ( -4.233 -0.742 1.746) 4.638 5.076 ( 1.054 -1.640 -0.472) 2.005 5.171 ( 0.641 2.725 0.077) 2.800 5.285 ( -0.382 -1.382 -1.230) 1.889 5.374 ( -1.022 0.661 -0.494) 1.314 5.403 ( -2.213 -0.324 -0.750) 2.359 5.755 ( 1.138 0.555 -2.046) 2.406 5.793 ( -0.130 -0.513 -0.020) 0.529 5.896 ( -3.023 -0.353 -1.549) 3.415 5.915 ( -3.740 -0.426 -1.500) 4.052 6.623 ( -0.188 2.028 -1.127) 2.328 6.733 ( -0.381 -2.186 -2.684) 3.482 6.948 ( -0.124 0.557 3.455) 3.502 7.015 ( -0.919 -2.020 3.350) 4.018 7.443 ( 0.345 1.979 1.362) 2.427 7.486 ( 1.322 1.367 -0.180) 1.910 7.596 ( 0.106 0.311 3.136) 3.154 7.740 ( -0.052 -4.586 2.519) 5.233 8.257 ( 0.526 2.268 0.551) 2.393 8.312 ( 0.173 1.984 -0.246) 2.007 8.327 ( -0.818 0.501 0.988) 1.377 8.365 ( -2.153 1.937 0.911) 3.036 8.421 ( 0.182 -1.419 -0.319) 1.466 8.476 ( -1.301 -1.596 0.224) 2.072 8.565 ( 0.169 -0.672 -0.589) 0.909 8.583 ( 0.124 -1.198 -0.444) 1.283 9.212 ( 0.337 0.223 -1.698) 1.745 9.229 ( -0.484 -0.320 -1.293) 1.418 9.358 ( -0.541 0.320 1.283) 1.429 9.370 ( -0.025 -0.185 0.818) 0.838 ======================= Grid point 97 (52/78) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -7.207 7.743 -1.353) 10.665 1.058 ( 6.011 4.177 -3.511) 8.119 1.165 ( 12.986 2.669 3.208) 13.640 1.244 ( -10.026 1.357 8.768) 13.388 1.316 ( -3.341 0.206 -1.116) 3.529 1.336 ( 3.284 -2.982 2.931) 5.317 1.374 ( 5.146 -3.096 3.374) 6.888 1.485 ( -4.491 -1.871 -0.265) 4.873 1.516 ( 1.524 -2.740 -1.342) 3.411 1.609 ( -2.177 -4.006 3.865) 5.978 1.643 ( 3.241 2.545 3.249) 5.247 1.669 ( 3.013 -0.188 -0.640) 3.086 1.734 ( -2.341 -0.271 -3.646) 4.341 1.765 ( 0.179 -5.972 1.484) 6.156 1.791 ( -1.791 -0.517 -3.352) 3.836 1.817 ( -4.503 2.078 0.020) 4.959 1.853 ( 5.418 0.425 0.033) 5.435 1.875 ( -0.345 0.476 -1.378) 1.498 1.912 ( -0.502 -1.506 -0.475) 1.657 1.959 ( -1.297 1.799 0.578) 2.293 1.980 ( 0.694 -4.285 -1.258) 4.520 2.015 ( -0.657 -2.901 -1.383) 3.281 2.042 ( -3.436 1.666 -2.256) 4.435 2.103 ( 0.403 0.756 -1.345) 1.595 2.139 ( 1.357 -3.009 -0.039) 3.301 2.174 ( -0.468 -1.014 -1.510) 1.878 2.232 ( -1.825 3.189 -0.031) 3.675 2.254 ( 1.196 -2.291 0.468) 2.627 2.345 ( -1.397 1.418 -1.936) 2.777 2.369 ( -0.880 1.791 -1.344) 2.406 2.426 ( -1.608 1.101 -0.036) 1.949 2.441 ( -3.974 2.208 -1.244) 4.713 2.469 ( -0.554 1.648 0.273) 1.760 2.508 ( -0.664 -1.562 2.539) 3.054 2.530 ( -1.204 -1.853 -0.175) 2.217 2.607 ( -0.081 0.064 -0.103) 0.146 2.648 ( -0.975 1.215 -2.692) 3.110 2.707 ( -1.780 -0.191 3.882) 4.275 2.736 ( 3.640 -1.438 -2.370) 4.576 2.771 ( -1.586 1.144 2.315) 3.031 2.788 ( -0.948 -0.605 0.063) 1.126 2.830 ( -0.835 -0.375 -2.586) 2.743 2.864 ( 0.490 0.017 -0.862) 0.992 2.905 ( 1.317 -0.241 0.354) 1.385 2.959 ( 1.826 -2.511 1.323) 3.375 2.975 ( 1.822 -0.782 -5.141) 5.510 2.990 ( -1.070 -0.516 -0.469) 1.277 3.079 ( -0.509 0.346 -0.716) 0.944 3.109 ( -0.501 0.168 -0.737) 0.907 3.119 ( -0.290 0.725 -1.138) 1.380 3.191 ( -1.570 2.100 0.872) 2.763 3.197 ( 1.933 3.872 1.668) 4.638 3.241 ( 2.904 0.974 -1.453) 3.390 3.253 ( 1.779 2.052 0.674) 2.799 3.312 ( -1.191 -1.667 -1.888) 2.786 3.338 ( 2.323 -1.753 -2.468) 3.816 3.398 ( 0.866 -2.276 -0.251) 2.448 3.445 ( -0.607 -4.371 0.284) 4.422 3.536 ( 1.821 0.265 -0.648) 1.950 3.539 ( 3.109 2.902 0.472) 4.279 3.620 ( -0.526 2.334 -0.944) 2.572 3.639 ( 1.499 -0.472 -1.434) 2.127 3.731 ( 1.987 -1.835 -0.603) 2.771 3.754 ( -0.239 6.792 -2.527) 7.251 3.837 ( -3.534 -0.681 2.154) 4.194 3.901 ( 1.922 3.080 -1.071) 3.785 3.993 ( 0.365 -0.457 4.817) 4.853 4.028 ( 0.243 -1.471 2.503) 2.914 4.118 ( -1.480 0.499 1.135) 1.931 4.141 ( 0.301 -0.152 -0.166) 0.376 4.179 ( 1.154 -1.573 -1.330) 2.361 4.236 ( -0.757 -1.060 -1.866) 2.275 4.497 ( -0.061 0.322 1.083) 1.131 4.560 ( 1.419 1.454 -2.421) 3.160 4.603 ( 1.760 -1.559 1.481) 2.778 4.663 ( 0.473 -2.143 -0.267) 2.211 4.940 ( -2.806 -0.331 5.145) 5.870 4.967 ( -3.463 -0.822 3.037) 4.679 5.015 ( 0.850 2.148 2.432) 3.354 5.091 ( 1.492 -0.931 -0.261) 1.778 5.176 ( -0.008 1.501 -0.264) 1.524 5.251 ( -0.704 -1.136 -2.532) 2.863 5.354 ( -1.058 0.541 -0.625) 1.343 5.363 ( -0.388 0.489 -0.724) 0.956 5.745 ( 1.233 0.453 -2.254) 2.609 5.776 ( -0.456 -0.486 -2.291) 2.386 5.848 ( -2.323 0.224 0.426) 2.373 5.866 ( -1.437 -0.343 -0.114) 1.482 6.621 ( 0.613 1.157 0.343) 1.354 6.683 ( -1.300 -1.183 -2.743) 3.258 7.001 ( 1.115 -0.248 3.217) 3.414 7.034 ( -0.888 -1.680 1.657) 2.521 7.462 ( -0.272 2.235 1.486) 2.698 7.498 ( 0.567 1.779 -0.367) 1.903 7.645 ( -0.230 -1.179 4.710) 4.861 7.740 ( -2.573 -4.049 0.645) 4.841 8.278 ( 0.907 2.083 0.765) 2.398 8.307 ( -0.084 1.337 -0.476) 1.422 8.338 ( 0.448 1.581 1.020) 1.934 8.349 ( -1.358 2.016 0.728) 2.537 8.425 ( 0.569 -1.181 0.295) 1.343 8.455 ( -1.100 -1.295 -0.379) 1.741 8.563 ( 0.526 -0.881 -0.532) 1.156 8.574 ( -0.230 -1.295 -0.900) 1.594 9.202 ( 0.433 0.150 -1.052) 1.148 9.208 ( 0.014 0.119 -1.280) 1.286 9.368 ( -0.246 0.223 1.129) 1.177 9.380 ( 0.132 -0.215 0.504) 0.563 ======================= Grid point 98 (53/78) ======================= q-point: (-0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -11.128 10.290 0.811) 15.178 1.030 ( -13.266 5.686 -2.055) 14.579 1.140 ( 0.710 3.828 -1.044) 4.031 1.298 ( -1.588 -2.893 -1.331) 3.558 1.321 ( -2.076 -6.089 0.229) 6.438 1.348 ( -0.899 0.404 -0.366) 1.051 1.441 ( 1.785 0.378 2.625) 3.197 1.482 ( -11.304 -0.428 -2.149) 11.515 1.510 ( -3.922 2.552 4.075) 6.205 1.581 ( -2.192 -1.819 2.087) 3.532 1.618 ( 0.687 -2.280 -0.025) 2.381 1.645 ( 2.548 2.068 -2.662) 4.225 1.682 ( -2.403 -1.738 -2.148) 3.662 1.765 ( 2.462 1.218 0.274) 2.761 1.777 ( 2.890 -5.435 -0.013) 6.156 1.806 ( -1.725 3.097 0.699) 3.613 1.822 ( -2.492 -3.305 -0.787) 4.213 1.914 ( 1.581 -3.361 2.012) 4.225 1.934 ( 2.526 -1.858 -3.948) 5.042 1.942 ( -0.574 -5.097 -0.928) 5.212 1.969 ( 1.367 3.734 3.770) 5.479 2.018 ( 2.800 -2.416 1.360) 3.941 2.040 ( 1.398 0.174 -2.972) 3.289 2.105 ( 2.537 0.991 -0.596) 2.789 2.153 ( 0.159 0.401 0.105) 0.444 2.203 ( 3.815 -0.233 2.959) 4.833 2.255 ( 0.340 1.053 -1.648) 1.985 2.280 ( 1.329 1.236 2.935) 3.451 2.311 ( 2.029 -1.396 0.093) 2.465 2.376 ( 2.917 -1.496 -0.520) 3.319 2.404 ( 0.014 2.400 1.033) 2.613 2.450 ( 1.391 3.546 2.319) 4.460 2.484 ( -0.519 -1.167 2.393) 2.712 2.522 ( 2.521 -1.603 0.569) 3.041 2.536 ( 0.416 0.645 0.398) 0.864 2.607 ( 0.181 -2.675 -1.185) 2.931 2.619 ( -0.693 0.014 1.634) 1.775 2.713 ( -1.537 -0.263 0.351) 1.599 2.749 ( -2.640 -0.032 -0.964) 2.811 2.767 ( -1.393 0.202 0.989) 1.720 2.778 ( 0.867 0.770 0.954) 1.501 2.818 ( -0.063 -0.472 2.111) 2.164 2.841 ( 1.352 -1.320 -1.443) 2.377 2.913 ( -2.523 -2.870 0.558) 3.862 2.928 ( 0.553 -0.191 -4.642) 4.679 2.975 ( 0.016 0.874 -0.900) 1.254 3.001 ( 0.191 -1.697 0.143) 1.713 3.044 ( 0.399 1.413 -2.633) 3.015 3.085 ( -1.416 2.947 0.290) 3.283 3.118 ( 1.513 0.268 -0.121) 1.541 3.164 ( -2.708 0.398 0.243) 2.748 3.225 ( -0.464 1.200 -0.397) 1.346 3.256 ( 1.596 0.332 -0.602) 1.738 3.274 ( -0.032 -0.337 -2.444) 2.467 3.297 ( 1.662 0.203 0.625) 1.788 3.350 ( 2.585 -1.515 -1.867) 3.531 3.387 ( -2.508 0.685 1.018) 2.792 3.417 ( -3.185 -3.184 0.107) 4.505 3.517 ( 1.102 5.299 -4.915) 7.311 3.558 ( -1.528 0.585 1.797) 2.431 3.631 ( 0.900 1.626 -1.987) 2.720 3.657 ( 5.371 -2.391 -2.410) 6.354 3.702 ( -2.007 3.363 -1.230) 4.105 3.757 ( 2.100 2.436 -0.990) 3.365 3.829 ( -0.849 2.180 1.464) 2.759 3.932 ( 3.419 0.626 -0.121) 3.478 4.039 ( -1.881 -2.388 -0.135) 3.043 4.065 ( 0.770 -2.144 2.350) 3.272 4.084 ( -1.460 -0.546 2.196) 2.693 4.159 ( -0.254 -0.855 -0.204) 0.915 4.187 ( 1.030 -0.979 -1.897) 2.370 4.206 ( 1.199 0.161 -0.142) 1.218 4.511 ( 0.062 1.167 1.020) 1.551 4.550 ( 1.675 2.030 -2.581) 3.686 4.636 ( 0.358 -2.590 0.195) 2.622 4.656 ( 0.786 -1.567 -1.732) 2.464 4.954 ( -2.825 -0.192 3.646) 4.616 4.962 ( -2.676 -0.256 2.869) 3.931 5.049 ( -0.429 2.075 2.063) 2.957 5.097 ( 0.466 -0.132 -1.957) 2.016 5.174 ( -0.390 -0.080 1.265) 1.327 5.217 ( 0.668 -1.412 -1.781) 2.369 5.352 ( 0.783 1.395 0.746) 1.765 5.371 ( 1.701 0.213 0.098) 1.717 5.732 ( -1.003 0.242 -2.222) 2.450 5.737 ( 0.041 -0.043 0.066) 0.089 5.836 ( -1.659 0.308 1.873) 2.521 5.857 ( -0.807 -0.488 0.905) 1.307 6.635 ( -1.028 0.295 -1.691) 2.000 6.648 ( 1.070 -0.185 1.577) 1.915 7.031 ( -0.631 -0.938 0.005) 1.130 7.057 ( 1.923 -1.368 1.443) 2.766 7.469 ( -1.108 2.542 1.047) 2.964 7.490 ( -0.497 1.977 -0.857) 2.211 7.692 ( -3.209 -2.623 -0.601) 4.188 7.709 ( -0.502 -4.256 5.338) 6.845 8.294 ( -0.250 1.242 -1.210) 1.752 8.300 ( 1.027 2.830 0.793) 3.113 8.343 ( -0.013 1.927 0.537) 2.000 8.370 ( 1.693 1.429 0.687) 2.319 8.438 ( -0.354 -0.893 -0.483) 1.076 8.448 ( 1.189 -0.884 1.226) 1.923 8.553 ( -0.834 -0.841 -1.016) 1.561 8.566 ( 0.285 -1.220 -0.132) 1.260 9.190 ( -0.214 0.494 -0.631) 0.830 9.204 ( 0.742 -0.072 -0.530) 0.915 9.377 ( -0.098 0.143 0.618) 0.642 9.386 ( 0.216 -0.120 -0.028) 0.249 ======================= Grid point 99 (54/78) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -10.971 11.292 7.069) 17.258 0.724 ( -17.438 8.982 -5.032) 20.250 1.115 ( -7.702 -2.980 -0.129) 8.260 1.161 ( -5.692 -3.999 -0.937) 7.019 1.228 ( -18.062 10.065 9.839) 22.898 1.289 ( 2.113 -4.103 -2.179) 5.104 1.403 ( 1.087 1.483 1.988) 2.707 1.474 ( 0.729 -7.220 -1.164) 7.350 1.526 ( -0.232 0.273 -0.054) 0.362 1.568 ( 1.126 3.815 -2.686) 4.800 1.619 ( -0.665 -0.835 -2.835) 3.029 1.645 ( 1.050 0.266 1.034) 1.497 1.682 ( -0.510 -0.667 -0.017) 0.840 1.735 ( -0.271 -4.296 -0.458) 4.329 1.805 ( -1.457 1.981 3.806) 4.531 1.844 ( 3.285 -1.144 0.129) 3.481 1.858 ( 1.367 -1.544 3.656) 4.198 1.895 ( -1.227 -0.610 -0.368) 1.419 1.927 ( 1.852 -3.547 -0.690) 4.060 1.960 ( -1.976 -1.198 -4.165) 4.764 2.008 ( 1.336 -0.110 0.998) 1.672 2.051 ( 3.334 -1.421 1.378) 3.878 2.061 ( 3.915 -1.594 1.357) 4.439 2.149 ( 3.298 0.087 -0.631) 3.359 2.200 ( 3.400 -1.360 1.323) 3.893 2.234 ( 1.672 1.734 -1.175) 2.680 2.280 ( -1.205 2.395 -1.294) 2.977 2.291 ( 2.586 -1.509 -0.650) 3.064 2.361 ( 1.649 -1.059 0.320) 1.986 2.438 ( 1.622 0.751 0.427) 1.838 2.475 ( 2.950 -1.401 1.721) 3.692 2.501 ( 2.051 2.310 3.922) 4.992 2.523 ( 0.443 1.045 0.947) 1.478 2.532 ( 0.948 -2.686 2.671) 3.905 2.585 ( 1.753 -0.883 -0.679) 2.077 2.628 ( 1.798 -0.178 1.255) 2.199 2.637 ( 0.099 1.366 -0.089) 1.372 2.653 ( -0.941 0.962 0.439) 1.416 2.721 ( -0.431 2.358 -0.575) 2.465 2.744 ( -2.263 -1.337 0.585) 2.693 2.809 ( 0.132 0.460 2.125) 2.178 2.821 ( -1.779 -2.045 -2.533) 3.710 2.852 ( -3.557 -0.601 1.372) 3.859 2.877 ( 1.012 -0.093 -0.996) 1.423 2.896 ( 1.885 -2.847 -1.551) 3.750 2.951 ( 0.707 1.034 -5.023) 5.177 2.977 ( -0.183 3.350 1.271) 3.588 3.049 ( -1.314 0.168 2.964) 3.247 3.070 ( -1.849 3.284 0.792) 3.851 3.108 ( -3.647 -0.215 -0.345) 3.670 3.158 ( 1.079 -0.569 1.385) 1.846 3.206 ( 0.161 0.235 -1.115) 1.151 3.242 ( -2.186 -0.663 0.400) 2.319 3.266 ( 0.893 1.032 -0.451) 1.437 3.313 ( 0.215 0.961 -0.584) 1.145 3.351 ( -3.165 -0.513 0.761) 3.295 3.361 ( -0.861 -4.138 0.350) 4.241 3.390 ( 1.563 1.445 0.734) 2.252 3.479 ( 3.546 3.827 -6.113) 8.037 3.551 ( -1.585 0.876 0.427) 1.861 3.597 ( -0.292 0.082 -2.293) 2.313 3.662 ( -1.557 2.545 -1.271) 3.243 3.701 ( 3.641 -2.216 -1.624) 4.561 3.776 ( 1.710 3.964 -0.476) 4.343 3.838 ( -0.142 1.727 0.606) 1.836 3.974 ( -0.439 1.617 -0.485) 1.745 3.994 ( 2.084 -5.727 -1.876) 6.377 4.082 ( -0.165 -3.221 -1.013) 3.381 4.101 ( -1.437 -1.138 2.007) 2.718 4.129 ( -1.128 -1.657 -1.593) 2.560 4.180 ( 1.267 1.099 -0.969) 1.937 4.241 ( 0.326 -0.711 1.427) 1.628 4.523 ( 0.217 1.482 0.470) 1.569 4.545 ( 2.335 2.009 -2.789) 4.155 4.599 ( -1.073 0.259 -3.380) 3.556 4.658 ( 0.691 -1.105 -0.800) 1.529 4.943 ( -3.010 1.873 0.887) 3.654 4.962 ( -2.389 -0.463 3.733) 4.456 5.048 ( -0.413 -0.276 -1.553) 1.630 5.082 ( 0.917 -0.078 0.162) 0.934 5.190 ( 0.142 -0.635 0.711) 0.963 5.231 ( 0.768 -0.680 1.598) 1.899 5.379 ( 1.216 1.659 0.493) 2.115 5.411 ( 2.176 -0.200 1.090) 2.442 5.706 ( -0.402 0.799 0.432) 0.993 5.768 ( 0.818 -1.819 3.434) 3.971 5.844 ( -1.399 0.395 3.032) 3.362 5.871 ( -0.074 -1.000 4.180) 4.299 6.613 ( -0.172 1.423 -0.262) 1.457 6.683 ( 0.519 -1.247 1.799) 2.249 7.013 ( -0.471 -0.323 -1.375) 1.489 7.090 ( 1.753 -2.247 -0.891) 2.986 7.457 ( -1.415 2.392 0.156) 2.783 7.468 ( -0.876 2.141 -0.835) 2.459 7.633 ( -2.627 -1.332 -1.197) 3.180 7.748 ( -2.493 -8.183 2.649) 8.955 8.276 ( 0.131 1.845 -1.283) 2.252 8.330 ( 1.688 1.564 -0.079) 2.303 8.356 ( 1.356 2.824 -0.373) 3.155 8.396 ( 0.972 1.234 -0.046) 1.572 8.434 ( 0.817 -0.179 -0.419) 0.936 8.489 ( 1.914 -1.012 1.097) 2.427 8.538 ( -0.372 -0.361 1.092) 1.209 8.566 ( -0.483 -1.225 0.246) 1.340 9.185 ( 0.004 0.700 0.187) 0.725 9.214 ( 0.690 -0.467 0.458) 0.951 9.380 ( -0.020 0.109 0.012) 0.112 9.388 ( 0.505 0.055 -0.341) 0.612 ======================= Grid point 100 (55/78) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -5.183 8.274 9.769) 13.811 0.707 ( -7.161 9.078 15.271) 19.154 1.044 ( -0.644 -8.368 3.252) 9.001 1.138 ( -6.484 4.681 12.398) 14.753 1.164 ( -6.858 1.203 6.862) 9.776 1.338 ( 5.308 -0.024 -0.422) 5.325 1.416 ( -1.302 -4.043 -0.361) 4.263 1.474 ( 0.669 -5.364 0.830) 5.469 1.486 ( 1.192 -1.945 -5.438) 5.897 1.571 ( -2.724 5.747 2.054) 6.684 1.594 ( 0.449 1.317 -3.242) 3.528 1.634 ( 2.106 3.482 -1.395) 4.302 1.685 ( -1.207 -3.881 2.557) 4.802 1.742 ( -1.404 -1.746 -2.748) 3.545 1.806 ( 0.303 0.415 -0.174) 0.542 1.824 ( -0.751 -0.614 1.882) 2.117 1.890 ( -0.782 1.464 1.458) 2.209 1.922 ( 1.091 -1.242 -0.016) 1.653 1.952 ( 1.563 0.284 4.570) 4.838 1.993 ( 3.913 -1.447 1.420) 4.407 2.019 ( -2.527 -0.556 1.043) 2.790 2.096 ( -1.339 -5.163 1.663) 5.587 2.130 ( 4.325 0.803 -2.041) 4.849 2.170 ( 2.077 1.723 -2.699) 3.816 2.218 ( 0.184 -1.803 -0.786) 1.975 2.238 ( 2.283 0.813 -2.892) 3.773 2.271 ( -0.424 -1.237 -0.220) 1.326 2.325 ( 4.585 -1.523 0.086) 4.833 2.356 ( 0.373 -1.213 -2.714) 2.996 2.416 ( -2.092 1.565 -2.818) 3.842 2.456 ( -0.818 -1.093 -1.848) 2.298 2.499 ( -4.485 -0.889 0.288) 4.581 2.513 ( -4.308 0.885 -0.669) 4.449 2.560 ( 0.823 2.844 -0.493) 3.001 2.625 ( -0.134 3.752 -1.802) 4.164 2.642 ( 1.574 -2.834 3.110) 4.493 2.665 ( 0.247 -0.122 0.015) 0.276 2.683 ( -0.352 2.329 -0.803) 2.489 2.712 ( 1.004 -0.988 -0.269) 1.434 2.741 ( -0.116 1.389 -3.078) 3.379 2.773 ( 1.194 1.518 -0.036) 1.932 2.816 ( -0.335 0.137 4.072) 4.088 2.828 ( -1.336 0.554 1.479) 2.069 2.850 ( -0.802 -0.751 -1.532) 1.885 2.903 ( -1.188 -0.288 -0.436) 1.298 2.961 ( 3.751 -1.289 0.182) 3.970 2.999 ( -0.439 -0.505 2.544) 2.630 3.038 ( -2.845 2.776 1.386) 4.210 3.068 ( -1.073 -0.352 2.410) 2.662 3.085 ( 0.370 1.309 2.207) 2.592 3.180 ( 1.241 -0.031 -1.341) 1.827 3.193 ( 0.377 -0.264 -2.010) 2.062 3.230 ( -1.918 -1.924 4.017) 4.850 3.279 ( 1.021 -0.556 -0.006) 1.162 3.311 ( -1.884 2.227 1.497) 3.279 3.353 ( 1.698 -3.050 -0.153) 3.495 3.373 ( 1.150 0.468 3.302) 3.528 3.437 ( 4.851 2.083 -2.576) 5.874 3.471 ( 1.856 2.650 -1.126) 3.426 3.533 ( 1.337 0.771 -2.028) 2.549 3.568 ( -2.790 0.992 0.117) 2.963 3.626 ( -0.702 0.826 -1.125) 1.562 3.728 ( 2.402 -2.876 -1.450) 4.018 3.778 ( -0.094 -1.050 -2.941) 3.125 3.842 ( 1.869 2.285 0.509) 2.995 3.963 ( 0.587 -0.595 0.453) 0.951 3.996 ( -0.454 -1.635 -1.734) 2.426 4.060 ( -0.253 -3.069 -0.878) 3.202 4.079 ( -0.700 -0.939 -1.100) 1.606 4.115 ( -1.159 -1.552 0.585) 2.024 4.181 ( 0.577 0.900 -1.120) 1.548 4.236 ( -1.689 -1.087 -0.615) 2.101 4.530 ( 0.662 0.717 -0.365) 1.042 4.543 ( -0.091 3.693 -2.119) 4.258 4.552 ( 1.925 1.354 -2.399) 3.360 4.647 ( -0.206 -0.198 -1.545) 1.571 4.905 ( -3.337 3.395 1.185) 4.905 4.984 ( -1.485 -0.692 4.013) 4.335 5.020 ( 0.664 -0.095 -2.670) 2.753 5.123 ( 2.087 -2.661 1.914) 3.885 5.187 ( 0.343 0.633 -1.518) 1.680 5.258 ( -0.785 -0.566 1.815) 2.057 5.393 ( 0.079 1.333 0.338) 1.377 5.445 ( 0.642 -0.735 0.519) 1.105 5.728 ( 0.637 1.207 1.848) 2.298 5.798 ( -0.105 -1.126 0.253) 1.159 5.878 ( -1.018 0.455 5.933) 6.037 6.003 ( 4.735 -6.607 7.826) 11.283 6.622 ( 0.599 1.651 1.208) 2.132 6.701 ( -0.828 -1.405 1.210) 2.030 6.982 ( -0.934 0.493 -1.721) 2.019 7.081 ( 0.577 -2.374 -3.189) 4.017 7.438 ( -0.913 2.179 -0.181) 2.369 7.446 ( -0.535 2.239 -0.773) 2.429 7.591 ( -1.016 -1.178 -0.887) 1.791 7.687 ( -6.100 -6.785 -1.067) 9.186 8.269 ( 0.621 2.377 -0.722) 2.561 8.332 ( 0.535 2.652 -2.356) 3.588 8.361 ( 0.656 0.714 -0.454) 1.070 8.396 ( -0.191 0.792 -0.581) 1.000 8.448 ( 0.881 0.240 0.098) 0.918 8.522 ( 1.294 -1.435 -0.319) 1.958 8.554 ( -0.714 -0.850 0.472) 1.206 8.570 ( 0.685 -1.702 1.008) 2.093 9.197 ( 0.422 0.699 1.319) 1.551 9.234 ( 0.530 -0.795 1.114) 1.468 9.377 ( 0.025 0.057 -0.480) 0.484 9.390 ( 0.525 -0.178 -0.965) 1.113 ======================= Grid point 101 (56/78) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 0.280 -10.044 7.605) 12.602 0.857 ( 0.280 10.044 7.605) 12.602 1.061 ( 2.610 -5.833 10.991) 12.713 1.061 ( 2.610 5.833 10.991) 12.713 1.287 ( -0.483 -5.536 -7.858) 9.624 1.287 ( -0.483 5.536 -7.858) 9.624 1.405 ( 2.078 -1.090 -1.145) 2.611 1.405 ( 2.078 1.090 -1.145) 2.611 1.549 ( -1.368 -3.323 -3.295) 4.875 1.549 ( -1.368 3.323 -3.295) 4.875 1.604 ( 2.736 -4.324 4.995) 7.150 1.604 ( 2.736 4.324 4.995) 7.150 1.750 ( -1.968 -5.970 3.396) 7.145 1.750 ( -1.968 5.970 3.396) 7.145 1.864 ( 0.844 -4.171 3.175) 5.309 1.864 ( 0.844 4.171 3.175) 5.309 1.892 ( -0.591 -0.319 -0.369) 0.766 1.892 ( -0.591 0.319 -0.369) 0.766 1.967 ( -4.748 -1.336 3.945) 6.316 1.967 ( -4.748 1.336 3.945) 6.316 2.067 ( 0.523 -1.517 2.017) 2.578 2.067 ( 0.523 1.517 2.017) 2.578 2.135 ( 0.581 -1.366 -2.438) 2.855 2.135 ( 0.581 1.366 -2.438) 2.855 2.213 ( 0.959 -1.534 -1.183) 2.162 2.213 ( 0.959 1.534 -1.183) 2.162 2.320 ( 2.001 -1.423 -0.982) 2.644 2.320 ( 2.001 1.423 -0.982) 2.644 2.351 ( -1.471 -0.878 -3.301) 3.719 2.351 ( -1.471 0.878 -3.301) 3.719 2.394 ( -4.202 -2.076 1.541) 4.934 2.394 ( -4.202 2.076 1.541) 4.934 2.503 ( -0.319 -4.266 -0.273) 4.287 2.503 ( -0.319 4.266 -0.273) 4.287 2.597 ( -2.127 -0.504 -2.868) 3.606 2.597 ( -2.127 0.504 -2.868) 3.606 2.658 ( -1.136 -0.699 -2.394) 2.741 2.658 ( -1.136 0.699 -2.394) 2.741 2.743 ( 1.415 -1.215 -1.497) 2.391 2.743 ( 1.415 1.215 -1.497) 2.391 2.803 ( -2.707 -0.959 -0.595) 2.932 2.803 ( -2.707 0.959 -0.595) 2.932 2.849 ( 2.501 -2.475 0.940) 3.642 2.849 ( 2.501 2.475 0.940) 3.642 2.969 ( 1.772 -3.425 2.203) 4.441 2.969 ( 1.772 3.425 2.203) 4.441 3.033 ( -0.276 -1.963 3.331) 3.876 3.033 ( -0.276 1.963 3.331) 3.876 3.122 ( -1.771 -4.382 1.248) 4.888 3.122 ( -1.771 4.382 1.248) 4.888 3.163 ( 0.236 -0.863 -1.117) 1.431 3.163 ( 0.236 0.863 -1.117) 1.431 3.264 ( 3.546 -2.394 -0.111) 4.280 3.264 ( 3.546 2.394 -0.111) 4.280 3.328 ( 0.853 -1.973 0.307) 2.172 3.328 ( 0.853 1.973 0.307) 2.172 3.499 ( 0.737 -0.354 0.914) 1.227 3.499 ( 0.737 0.354 0.914) 1.227 3.544 ( -1.276 -1.356 -0.433) 1.912 3.544 ( -1.276 1.356 -0.433) 1.912 3.578 ( 3.910 -3.822 -2.025) 5.831 3.578 ( 3.910 3.822 -2.025) 5.831 3.672 ( -0.096 -2.309 -2.668) 3.529 3.672 ( -0.096 2.309 -2.668) 3.529 3.927 ( 1.360 -1.950 -1.139) 2.637 3.927 ( 1.360 1.950 -1.139) 2.637 4.011 ( -0.845 -1.569 0.844) 1.972 4.011 ( -0.845 1.569 0.844) 1.972 4.073 ( -0.504 -1.166 0.753) 1.477 4.073 ( -0.504 1.166 0.753) 1.477 4.174 ( -0.530 -0.344 -1.523) 1.649 4.174 ( -0.530 0.344 -1.523) 1.649 4.553 ( 1.507 -0.547 -1.572) 2.245 4.553 ( 1.507 0.547 -1.572) 2.245 4.593 ( -0.348 -2.361 -1.951) 3.083 4.593 ( -0.348 2.361 -1.951) 3.083 4.951 ( -1.785 -2.868 1.553) 3.717 4.951 ( -1.785 2.868 1.553) 3.717 5.078 ( 0.021 -3.674 1.533) 3.981 5.078 ( 0.021 3.674 1.533) 3.981 5.225 ( 0.088 -1.693 -0.187) 1.705 5.225 ( 0.088 1.693 -0.187) 1.705 5.415 ( -0.814 -1.277 -0.051) 1.515 5.415 ( -0.814 1.277 -0.051) 1.515 5.778 ( -0.012 -0.967 0.441) 1.063 5.778 ( -0.012 0.967 0.441) 1.063 5.995 ( -0.450 -3.637 5.961) 6.997 5.995 ( -0.450 3.637 5.961) 6.997 6.678 ( -0.142 -0.791 1.494) 1.696 6.678 ( -0.142 0.791 1.494) 1.696 6.989 ( -0.523 -2.161 -2.210) 3.135 6.989 ( -0.523 2.161 -2.210) 3.135 7.465 ( 0.056 -0.618 -0.436) 0.759 7.465 ( 0.056 0.618 -0.436) 0.759 7.551 ( -1.324 -0.359 -0.035) 1.373 7.551 ( -1.324 0.359 -0.035) 1.373 8.328 ( 0.440 -1.878 -0.006) 1.929 8.328 ( 0.440 1.878 -0.006) 1.929 8.372 ( -0.384 -1.011 -1.150) 1.579 8.372 ( -0.384 1.011 -1.150) 1.579 8.470 ( -0.869 -1.753 -0.955) 2.178 8.470 ( -0.869 1.753 -0.955) 2.178 8.555 ( 0.267 -0.420 0.643) 0.813 8.555 ( 0.267 0.420 0.643) 0.813 9.241 ( 0.424 -0.747 1.472) 1.704 9.241 ( 0.424 0.747 1.472) 1.704 9.370 ( -0.197 -0.302 -1.073) 1.132 9.370 ( -0.197 0.302 -1.073) 1.132 ======================= Grid point 103 (57/78) ======================= q-point: ( 0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -3.055 -5.242 2.646) 6.619 0.910 ( -3.055 5.242 2.646) 6.619 1.184 ( 1.258 -3.829 -4.057) 5.719 1.184 ( 1.258 3.829 -4.057) 5.719 1.277 ( 5.078 -3.737 7.384) 9.710 1.277 ( 5.078 3.737 7.384) 9.710 1.357 ( 1.295 -0.501 -5.557) 5.727 1.357 ( 1.295 0.501 -5.557) 5.727 1.528 ( 0.745 -3.347 -2.249) 4.101 1.528 ( 0.745 3.347 -2.249) 4.101 1.660 ( -2.423 -0.612 -1.174) 2.761 1.660 ( -2.423 0.612 -1.174) 2.761 1.740 ( -2.872 -2.477 0.072) 3.793 1.740 ( -2.872 2.477 0.072) 3.793 1.870 ( 2.035 -2.772 5.692) 6.651 1.870 ( 2.035 2.772 5.692) 6.651 1.908 ( -1.803 -2.840 0.420) 3.390 1.908 ( -1.803 2.840 0.420) 3.390 1.976 ( -3.402 -2.717 4.706) 6.411 1.976 ( -3.402 2.717 4.706) 6.411 2.073 ( -2.544 -2.146 -0.445) 3.358 2.073 ( -2.544 2.146 -0.445) 3.358 2.119 ( 2.504 -1.651 -1.730) 3.462 2.119 ( 2.504 1.651 -1.730) 3.462 2.205 ( -2.049 -2.492 -4.184) 5.283 2.205 ( -2.049 2.492 -4.184) 5.283 2.257 ( -2.889 -0.999 3.054) 4.320 2.257 ( -2.889 0.999 3.054) 4.320 2.356 ( 2.554 -0.947 -0.458) 2.762 2.356 ( 2.554 0.947 -0.458) 2.762 2.409 ( -0.230 -0.780 3.623) 3.713 2.409 ( -0.230 0.780 3.623) 3.713 2.515 ( 2.588 -1.462 -0.252) 2.983 2.515 ( 2.588 1.462 -0.252) 2.983 2.568 ( 1.100 -3.023 1.364) 3.494 2.568 ( 1.100 3.023 1.364) 3.494 2.648 ( -0.302 -1.935 2.066) 2.846 2.648 ( -0.302 1.935 2.066) 2.846 2.715 ( -1.434 -2.960 -2.792) 4.315 2.715 ( -1.434 2.960 -2.792) 4.315 2.789 ( 1.610 -5.520 0.114) 5.751 2.789 ( 1.610 5.520 0.114) 5.751 2.884 ( 2.408 -2.129 -1.454) 3.528 2.884 ( 2.408 2.129 -1.454) 3.528 3.003 ( -0.308 -2.488 1.268) 2.810 3.003 ( -0.308 2.488 1.268) 2.810 3.069 ( -0.578 -0.177 2.140) 2.224 3.069 ( -0.578 0.177 2.140) 2.224 3.100 ( -1.657 -1.713 -0.269) 2.398 3.100 ( -1.657 1.713 -0.269) 2.398 3.152 ( 0.593 -0.961 -1.225) 1.666 3.152 ( 0.593 0.961 -1.225) 1.666 3.283 ( 1.470 -3.509 -2.504) 4.555 3.283 ( 1.470 3.509 -2.504) 4.555 3.353 ( 2.981 -3.670 -2.243) 5.233 3.353 ( 2.981 3.670 -2.243) 5.233 3.448 ( -4.336 -1.246 -0.709) 4.567 3.448 ( -4.336 1.246 -0.709) 4.567 3.570 ( 1.790 -1.772 0.629) 2.596 3.570 ( 1.790 1.772 0.629) 2.596 3.609 ( 0.586 -3.550 -0.541) 3.638 3.609 ( 0.586 3.550 -0.541) 3.638 3.652 ( 2.947 -3.555 -1.735) 4.933 3.652 ( 2.947 3.555 -1.735) 4.933 3.913 ( -0.734 -1.139 -1.408) 1.954 3.913 ( -0.734 1.139 -1.408) 1.954 4.018 ( -0.806 -0.995 1.523) 1.990 4.018 ( -0.806 0.995 1.523) 1.990 4.075 ( 0.452 -2.546 -0.318) 2.605 4.075 ( 0.452 2.546 -0.318) 2.605 4.171 ( 1.381 -1.109 0.121) 1.775 4.171 ( 1.381 1.109 0.121) 1.775 4.533 ( -1.352 -1.827 -1.345) 2.641 4.533 ( -1.352 1.827 -1.345) 2.641 4.586 ( 1.516 -1.088 -0.591) 1.958 4.586 ( 1.516 1.088 -0.591) 1.958 4.948 ( -1.539 -2.687 1.812) 3.588 4.948 ( -1.539 2.687 1.812) 3.588 5.073 ( -2.340 -2.139 0.399) 3.196 5.073 ( -2.340 2.139 0.399) 3.196 5.231 ( 0.813 -2.204 -0.156) 2.354 5.231 ( 0.813 2.204 -0.156) 2.354 5.407 ( -0.721 -0.189 0.706) 1.027 5.407 ( -0.721 0.189 0.706) 1.027 5.780 ( -0.111 -0.152 0.165) 0.250 5.780 ( -0.111 0.152 0.165) 0.250 6.021 ( -2.962 -1.615 2.073) 3.960 6.021 ( -2.962 1.615 2.073) 3.960 6.696 ( 0.297 -1.315 0.846) 1.591 6.696 ( 0.297 1.315 0.846) 1.591 6.956 ( -1.168 -0.271 -0.581) 1.332 6.956 ( -1.168 0.271 -0.581) 1.332 7.461 ( 0.023 -1.646 -0.205) 1.659 7.461 ( 0.023 1.646 -0.205) 1.659 7.559 ( 1.369 -2.541 0.906) 3.026 7.559 ( 1.369 2.541 0.906) 3.026 8.322 ( -0.777 -1.773 -0.448) 1.987 8.322 ( -0.777 1.773 -0.448) 1.987 8.365 ( 0.212 -2.815 0.048) 2.823 8.365 ( 0.212 2.815 0.048) 2.823 8.446 ( -1.416 -1.616 0.369) 2.180 8.446 ( -1.416 1.616 0.369) 2.180 8.566 ( 0.429 -0.277 0.028) 0.511 8.566 ( 0.429 0.277 0.028) 0.511 9.255 ( -0.236 -0.243 0.233) 0.412 9.255 ( -0.236 0.243 0.233) 0.412 9.356 ( -0.222 -0.296 -0.283) 0.466 9.356 ( -0.222 0.296 -0.283) 0.466 ======================= Grid point 105 (58/78) ======================= q-point: ( 0.25 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 2.065 -4.010 -0.576) 4.547 0.889 ( 2.065 4.010 -0.576) 4.547 1.174 ( -1.066 -2.177 0.876) 2.578 1.174 ( -1.066 2.177 0.876) 2.578 1.297 ( 4.856 -6.405 -8.312) 11.562 1.297 ( 4.856 6.405 -8.312) 11.562 1.401 ( 1.496 -5.634 -2.114) 6.201 1.401 ( 1.496 5.634 -2.114) 6.201 1.520 ( 0.329 -5.049 2.752) 5.760 1.520 ( 0.329 5.049 2.752) 5.760 1.605 ( -0.963 -0.832 1.519) 1.982 1.605 ( -0.963 0.832 1.519) 1.982 1.722 ( -3.493 -5.770 2.897) 7.340 1.722 ( -3.493 5.770 2.897) 7.340 1.860 ( -3.719 -2.529 -0.927) 4.592 1.860 ( -3.719 2.529 -0.927) 4.592 1.934 ( -1.315 -0.851 1.335) 2.058 1.934 ( -1.315 0.851 1.335) 2.058 1.983 ( -2.156 -2.819 2.706) 4.463 1.983 ( -2.156 2.819 2.706) 4.463 2.020 ( -2.963 -2.432 -0.541) 3.871 2.020 ( -2.963 2.432 -0.541) 3.871 2.087 ( 1.026 -3.012 -3.177) 4.497 2.087 ( 1.026 3.012 -3.177) 4.497 2.196 ( 0.987 -0.561 -2.772) 2.996 2.196 ( 0.987 0.561 -2.772) 2.996 2.268 ( 0.076 -3.727 3.839) 5.351 2.268 ( 0.076 3.727 3.839) 5.351 2.358 ( 1.701 -3.838 -1.724) 4.539 2.358 ( 1.701 3.838 -1.724) 4.539 2.453 ( 0.318 -1.493 2.173) 2.655 2.453 ( 0.318 1.493 2.173) 2.655 2.582 ( -0.089 -2.548 3.278) 4.153 2.582 ( -0.089 2.548 3.278) 4.153 2.629 ( -0.531 -1.967 0.234) 2.050 2.629 ( -0.531 1.967 0.234) 2.050 2.660 ( 2.708 -0.859 0.510) 2.886 2.660 ( 2.708 0.859 0.510) 2.886 2.705 ( 1.796 -3.659 3.879) 5.627 2.705 ( 1.796 3.659 3.879) 5.627 2.803 ( 1.345 -3.176 -3.779) 5.117 2.803 ( 1.345 3.176 -3.779) 5.117 2.891 ( 0.587 -3.133 -0.399) 3.213 2.891 ( 0.587 3.133 -0.399) 3.213 2.989 ( -0.131 -1.025 -3.418) 3.570 2.989 ( -0.131 1.025 -3.418) 3.570 3.040 ( -3.163 -1.058 2.024) 3.902 3.040 ( -3.163 1.058 2.024) 3.902 3.104 ( -0.076 -1.475 1.604) 2.180 3.104 ( -0.076 1.475 1.604) 2.180 3.163 ( 2.266 -1.024 -0.066) 2.488 3.163 ( 2.266 1.024 -0.066) 2.488 3.278 ( 2.037 -3.018 -1.914) 4.113 3.278 ( 2.037 3.018 -1.914) 4.113 3.331 ( 0.178 -3.283 -3.387) 4.720 3.331 ( 0.178 3.283 -3.387) 4.720 3.394 ( -1.626 -1.416 -1.844) 2.837 3.394 ( -1.626 1.416 -1.844) 2.837 3.544 ( -0.858 -3.551 -3.642) 5.159 3.544 ( -0.858 3.551 -3.642) 5.159 3.622 ( 1.221 -1.148 0.645) 1.796 3.622 ( 1.221 1.148 0.645) 1.796 3.707 ( 2.415 -0.501 1.959) 3.150 3.707 ( 2.415 0.501 1.959) 3.150 3.894 ( 0.050 -2.741 -0.167) 2.747 3.894 ( 0.050 2.741 -0.167) 2.747 4.004 ( -2.270 -0.882 0.201) 2.444 4.004 ( -2.270 0.882 0.201) 2.444 4.093 ( 2.322 -3.436 -0.497) 4.176 4.093 ( 2.322 3.436 -0.497) 4.176 4.201 ( 1.001 -2.051 0.938) 2.467 4.201 ( 1.001 2.051 0.938) 2.467 4.503 ( -1.118 -0.824 -0.036) 1.390 4.503 ( -1.118 0.824 -0.036) 1.390 4.605 ( 1.197 -1.524 0.081) 1.940 4.605 ( 1.197 1.524 0.081) 1.940 4.947 ( -2.420 -2.510 2.462) 4.268 4.947 ( -2.420 2.510 2.462) 4.268 5.039 ( -1.755 -1.396 0.054) 2.243 5.039 ( -1.755 1.396 0.054) 2.243 5.238 ( 0.575 -3.605 -0.461) 3.679 5.238 ( 0.575 3.605 -0.461) 3.679 5.407 ( -0.924 -1.011 0.792) 1.583 5.407 ( -0.924 1.011 0.792) 1.583 5.779 ( 0.012 -0.787 -0.215) 0.816 5.779 ( 0.012 0.787 -0.215) 0.816 5.972 ( -3.935 -0.529 -0.984) 4.091 5.972 ( -3.935 0.529 -0.984) 4.091 6.699 ( 0.135 -2.775 -1.068) 2.976 6.699 ( 0.135 2.775 -1.068) 2.976 6.948 ( -1.110 -1.462 2.144) 2.823 6.948 ( -1.110 1.462 2.144) 2.823 7.466 ( 0.507 -1.739 0.380) 1.851 7.466 ( 0.507 1.739 0.380) 1.851 7.602 ( 1.777 -3.765 1.658) 4.482 7.602 ( 1.777 3.765 1.658) 4.482 8.307 ( -0.605 -1.978 -0.078) 2.070 8.307 ( -0.605 1.978 -0.078) 2.070 8.368 ( -0.325 -3.072 0.498) 3.129 8.368 ( -0.325 3.072 0.498) 3.129 8.438 ( -1.141 -2.633 0.925) 3.015 8.438 ( -1.141 2.633 0.925) 3.015 8.567 ( 0.119 -0.465 -0.400) 0.624 8.567 ( 0.119 0.465 -0.400) 0.624 9.241 ( -0.472 -0.434 -1.203) 1.363 9.241 ( -0.472 0.434 -1.203) 1.363 9.357 ( -0.255 -0.273 0.790) 0.874 9.357 ( -0.255 0.273 0.790) 0.874 ======================= Grid point 107 (59/78) ======================= q-point: ( 0.38 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 9.242 -5.925 3.761) 11.604 1.001 ( 9.242 5.925 3.761) 11.604 1.160 ( -1.636 -3.890 0.949) 4.325 1.160 ( -1.636 3.890 0.949) 4.325 1.274 ( 2.756 -9.225 -3.816) 10.356 1.274 ( 2.756 9.225 -3.816) 10.356 1.392 ( 3.022 -8.053 -2.746) 9.029 1.392 ( 3.022 8.053 -2.746) 9.029 1.537 ( -1.041 -2.127 1.729) 2.932 1.537 ( -1.041 2.127 1.729) 2.932 1.631 ( -2.719 -2.332 1.513) 3.889 1.631 ( -2.719 2.332 1.513) 3.889 1.738 ( 0.142 -1.587 5.148) 5.389 1.738 ( 0.142 1.587 5.148) 5.389 1.809 ( -2.271 -1.943 0.819) 3.099 1.809 ( -2.271 1.943 0.819) 3.099 1.897 ( -1.470 -1.365 -2.269) 3.029 1.897 ( -1.470 1.365 -2.269) 3.029 1.944 ( -2.295 -2.824 -2.147) 4.225 1.944 ( -2.295 2.824 -2.147) 4.225 1.994 ( -0.875 -1.987 -0.402) 2.208 1.994 ( -0.875 1.987 -0.402) 2.208 2.105 ( 2.398 -2.548 1.086) 3.664 2.105 ( 2.398 2.548 1.086) 3.664 2.150 ( -1.249 -0.530 -2.766) 3.081 2.150 ( -1.249 0.530 -2.766) 3.081 2.262 ( -2.419 -4.827 -0.076) 5.400 2.262 ( -2.419 4.827 -0.076) 5.400 2.420 ( 2.832 -1.409 -0.030) 3.163 2.420 ( 2.832 1.409 -0.030) 3.163 2.473 ( -0.302 -0.992 1.437) 1.772 2.473 ( -0.302 0.992 1.437) 1.772 2.538 ( -3.096 -2.552 -2.284) 4.617 2.538 ( -3.096 2.552 -2.284) 4.617 2.580 ( -4.332 -2.512 -1.947) 5.373 2.580 ( -4.332 2.512 -1.947) 5.373 2.714 ( -0.086 -2.544 0.626) 2.621 2.714 ( -0.086 2.544 0.626) 2.621 2.736 ( 0.776 -2.739 -1.814) 3.376 2.736 ( 0.776 2.739 -1.814) 3.376 2.814 ( 4.501 -4.058 -0.040) 6.061 2.814 ( 4.501 4.058 -0.040) 6.061 2.860 ( -2.834 -4.031 -0.173) 4.930 2.860 ( -2.834 4.031 -0.173) 4.930 2.966 ( 2.062 -1.952 -2.309) 3.659 2.966 ( 2.062 1.952 -2.309) 3.659 3.044 ( -1.447 -2.413 0.791) 2.923 3.044 ( -1.447 2.413 0.791) 2.923 3.125 ( -0.449 -1.894 2.504) 3.172 3.125 ( -0.449 1.894 2.504) 3.172 3.207 ( 2.905 -1.868 0.390) 3.476 3.207 ( 2.905 1.868 0.390) 3.476 3.276 ( -0.940 -1.835 0.024) 2.062 3.276 ( -0.940 1.835 0.024) 2.062 3.324 ( 2.788 -2.885 -1.808) 4.400 3.324 ( 2.788 2.885 -1.808) 4.400 3.338 ( -0.476 -0.240 -2.790) 2.841 3.338 ( -0.476 0.240 -2.790) 2.841 3.512 ( 2.102 -1.711 -1.787) 3.247 3.512 ( 2.102 1.711 -1.787) 3.247 3.641 ( 0.834 -2.462 -0.138) 2.603 3.641 ( 0.834 2.462 -0.138) 2.603 3.753 ( -0.020 -3.980 2.228) 4.561 3.753 ( -0.020 3.980 2.228) 4.561 3.906 ( 1.348 -4.474 -0.564) 4.707 3.906 ( 1.348 4.474 -0.564) 4.707 3.973 ( -1.637 -2.071 0.657) 2.721 3.973 ( -1.637 2.071 0.657) 2.721 4.121 ( 1.967 -2.512 -0.203) 3.197 4.121 ( 1.967 2.512 -0.203) 3.197 4.210 ( -0.727 -2.911 -0.134) 3.004 4.210 ( -0.727 2.911 -0.134) 3.004 4.503 ( 0.012 -1.643 1.287) 2.087 4.503 ( 0.012 1.643 1.287) 2.087 4.619 ( 0.701 -1.741 -0.187) 1.886 4.619 ( 0.701 1.741 -0.187) 1.886 4.942 ( -3.232 -2.131 3.603) 5.288 4.942 ( -3.232 2.131 3.603) 5.288 5.034 ( 0.359 -2.409 0.588) 2.506 5.034 ( 0.359 2.409 0.588) 2.506 5.236 ( 0.207 -3.178 -0.885) 3.306 5.236 ( 0.207 3.178 -0.885) 3.306 5.392 ( -1.602 -0.791 -0.234) 1.802 5.392 ( -1.602 0.791 -0.234) 1.802 5.774 ( 0.423 -1.185 -1.170) 1.718 5.774 ( 0.423 1.185 -1.170) 1.718 5.901 ( -2.916 -0.723 -1.491) 3.354 5.901 ( -2.916 0.723 -1.491) 3.354 6.677 ( -0.338 -2.949 -1.795) 3.469 6.677 ( -0.338 2.949 -1.795) 3.469 6.972 ( -0.538 -1.807 3.160) 3.680 6.972 ( -0.538 1.807 3.160) 3.680 7.485 ( 0.726 -1.612 1.043) 2.053 7.485 ( 0.726 1.612 1.043) 2.053 7.642 ( 0.414 -4.186 1.819) 4.583 7.642 ( 0.414 4.186 1.819) 4.583 8.303 ( -0.047 -1.757 0.272) 1.778 8.303 ( -0.047 1.757 0.272) 1.778 8.370 ( -0.438 -2.265 0.953) 2.496 8.370 ( -0.438 2.265 0.953) 2.496 8.429 ( -1.183 -2.776 0.307) 3.033 8.429 ( -1.183 2.776 0.307) 3.033 8.561 ( 0.060 -0.522 -0.647) 0.833 8.561 ( 0.060 0.522 -0.647) 0.833 9.220 ( -0.062 -0.493 -1.334) 1.424 9.220 ( -0.062 0.493 -1.334) 1.424 9.365 ( -0.248 -0.335 0.967) 1.053 9.365 ( -0.248 0.335 0.967) 1.053 ======================= Grid point 109 (60/78) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -0.176 -2.552 1.396) 2.914 1.139 ( -0.176 2.552 1.396) 2.914 1.198 ( 0.866 -5.763 2.647) 6.400 1.198 ( 0.866 5.763 2.647) 6.400 1.276 ( 4.051 -3.105 0.650) 5.146 1.276 ( 4.051 3.105 0.650) 5.146 1.430 ( 3.145 -5.992 1.496) 6.930 1.430 ( 3.145 5.992 1.496) 6.930 1.491 ( -6.512 -4.897 0.694) 8.177 1.491 ( -6.512 4.897 0.694) 8.177 1.664 ( 3.706 -1.872 2.212) 4.704 1.664 ( 3.706 1.872 2.212) 4.704 1.741 ( -0.485 -1.147 -3.158) 3.395 1.741 ( -0.485 1.147 -3.158) 3.395 1.814 ( -0.826 -5.640 -0.302) 5.708 1.814 ( -0.826 5.640 -0.302) 5.708 1.873 ( -0.912 -0.346 0.828) 1.279 1.873 ( -0.912 0.346 0.828) 1.279 1.910 ( 0.412 -2.611 0.164) 2.648 1.910 ( 0.412 2.611 0.164) 2.648 1.956 ( -0.989 -1.956 -3.614) 4.227 1.956 ( -0.989 1.956 -3.614) 4.227 2.089 ( -2.563 -2.241 -0.462) 3.436 2.089 ( -2.563 2.241 -0.462) 3.436 2.173 ( 3.514 -4.308 0.569) 5.588 2.173 ( 3.514 4.308 0.569) 5.588 2.228 ( -3.063 -3.653 1.676) 5.053 2.228 ( -3.063 3.653 1.676) 5.053 2.357 ( -1.693 -0.565 -4.055) 4.430 2.357 ( -1.693 0.565 -4.055) 4.430 2.447 ( -3.281 -1.347 -0.964) 3.675 2.447 ( -3.281 1.347 -0.964) 3.675 2.512 ( -0.813 -2.450 2.032) 3.285 2.512 ( -0.813 2.450 2.032) 3.285 2.545 ( 0.882 -4.446 -0.404) 4.551 2.545 ( 0.882 4.446 -0.404) 4.551 2.677 ( -0.158 -1.058 -3.576) 3.733 2.677 ( -0.158 1.058 -3.576) 3.733 2.763 ( 0.601 -0.367 1.904) 2.031 2.763 ( 0.601 0.367 1.904) 2.031 2.799 ( -1.917 -2.275 0.369) 2.998 2.799 ( -1.917 2.275 0.369) 2.998 2.877 ( 0.201 -1.393 -0.262) 1.432 2.877 ( 0.201 1.393 -0.262) 1.432 2.954 ( 1.374 -1.383 -3.095) 3.658 2.954 ( 1.374 1.383 -3.095) 3.658 3.029 ( 0.144 -3.117 -0.084) 3.121 3.029 ( 0.144 3.117 -0.084) 3.121 3.132 ( -1.092 -0.937 0.390) 1.490 3.132 ( -1.092 0.937 0.390) 1.490 3.236 ( -0.053 -2.354 -0.820) 2.494 3.236 ( -0.053 2.354 -0.820) 2.494 3.266 ( 0.589 -1.244 -0.562) 1.487 3.266 ( 0.589 1.244 -0.562) 1.487 3.305 ( 1.178 -1.885 -1.446) 2.651 3.305 ( 1.178 1.885 -1.446) 2.651 3.369 ( 2.277 -1.418 0.595) 2.748 3.369 ( 2.277 1.418 0.595) 2.748 3.552 ( 2.954 -1.690 0.726) 3.480 3.552 ( 2.954 1.690 0.726) 3.480 3.642 ( -0.108 -3.036 -0.555) 3.088 3.642 ( -0.108 3.036 -0.555) 3.088 3.769 ( -0.228 -5.126 1.159) 5.260 3.769 ( -0.228 5.126 1.159) 5.260 3.894 ( 1.063 -5.108 -3.285) 6.165 3.894 ( 1.063 5.108 -3.285) 6.165 3.995 ( 0.101 -1.580 3.406) 3.756 3.995 ( 0.101 1.580 3.406) 3.756 4.144 ( 0.816 -1.372 0.016) 1.597 4.144 ( 0.816 1.372 0.016) 1.597 4.180 ( -1.219 -3.502 -1.345) 3.945 4.180 ( -1.219 3.502 -1.345) 3.945 4.527 ( 0.801 -2.409 1.100) 2.767 4.527 ( 0.801 2.409 1.100) 2.767 4.623 ( 0.550 -1.818 -0.422) 1.946 4.623 ( 0.550 1.818 -0.422) 1.946 4.946 ( -2.814 -0.938 3.892) 4.894 4.946 ( -2.814 0.938 3.892) 4.894 5.059 ( 0.851 -2.025 1.731) 2.797 5.059 ( 0.851 2.025 1.731) 2.797 5.216 ( -0.396 -2.092 -2.117) 3.003 5.216 ( -0.396 2.092 -2.117) 3.003 5.366 ( -0.727 -0.334 -0.333) 0.867 5.366 ( -0.727 0.334 -0.333) 0.867 5.760 ( 0.548 -0.917 -2.212) 2.456 5.760 ( 0.548 0.917 -2.212) 2.456 5.856 ( -1.838 -0.510 0.086) 1.910 5.856 ( -1.838 0.510 0.086) 1.910 6.652 ( -0.341 -1.677 -1.125) 2.048 6.652 ( -0.341 1.677 -1.125) 2.048 7.005 ( 0.074 -0.841 2.291) 2.442 7.005 ( 0.074 0.841 2.291) 2.442 7.508 ( 0.324 -1.472 1.077) 1.852 7.508 ( 0.324 1.472 1.077) 1.852 7.658 ( -1.301 -3.024 1.683) 3.697 7.658 ( -1.301 3.024 1.683) 3.697 8.309 ( 0.204 -0.861 0.286) 0.930 8.309 ( 0.204 0.861 0.286) 0.930 8.384 ( 0.492 -2.285 1.205) 2.629 8.384 ( 0.492 2.285 1.205) 2.629 8.412 ( -0.957 -2.741 -0.146) 2.907 8.412 ( -0.957 2.741 -0.146) 2.907 8.554 ( 0.088 -0.304 -0.761) 0.824 8.554 ( 0.088 0.304 -0.761) 0.824 9.206 ( 0.221 -0.223 -1.014) 1.062 9.206 ( 0.221 0.223 -1.014) 1.062 9.374 ( -0.035 -0.345 0.741) 0.818 9.374 ( -0.035 0.345 0.741) 0.818 ======================= Grid point 111 (61/78) ======================= q-point: (-0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -8.356 -12.087 -1.008) 14.729 1.069 ( -8.356 12.087 -1.008) 14.729 1.170 ( -7.638 -4.611 1.364) 9.025 1.170 ( -7.638 4.611 1.364) 9.025 1.301 ( -0.247 -6.137 -2.866) 6.778 1.301 ( -0.247 6.137 -2.866) 6.778 1.470 ( 2.723 -4.975 -1.202) 5.798 1.470 ( 2.723 4.975 -1.202) 5.798 1.532 ( 2.892 -3.379 5.702) 7.232 1.532 ( 2.892 3.379 5.702) 7.232 1.672 ( -0.184 -0.699 -1.339) 1.521 1.672 ( -0.184 0.699 -1.339) 1.521 1.707 ( -6.131 -1.028 -2.492) 6.697 1.707 ( -6.131 1.028 -2.492) 6.697 1.747 ( -4.432 -3.849 -0.378) 5.882 1.747 ( -4.432 3.849 -0.378) 5.882 1.848 ( 3.201 -1.902 -0.009) 3.723 1.848 ( 3.201 1.902 -0.009) 3.723 1.897 ( 1.560 -3.680 -0.891) 4.095 1.897 ( 1.560 3.680 -0.891) 4.095 1.995 ( 3.650 -0.404 0.609) 3.723 1.995 ( 3.650 0.404 0.609) 3.723 2.090 ( -0.239 -2.986 1.700) 3.445 2.090 ( -0.239 2.986 1.700) 3.445 2.190 ( 0.326 -2.133 -0.454) 2.205 2.190 ( 0.326 2.133 -0.454) 2.205 2.252 ( 1.318 -0.768 2.725) 3.123 2.252 ( 1.318 0.768 2.725) 3.123 2.335 ( 2.700 -1.865 -0.020) 3.282 2.335 ( 2.700 1.865 -0.020) 3.282 2.457 ( 2.180 -1.886 3.054) 4.199 2.457 ( 2.180 1.886 3.054) 4.199 2.504 ( -1.353 -3.842 0.188) 4.077 2.504 ( -1.353 3.842 0.188) 4.077 2.548 ( -0.445 -1.699 -0.128) 1.761 2.548 ( -0.445 1.699 -0.128) 1.761 2.653 ( 2.305 -3.569 -2.018) 4.704 2.653 ( 2.305 3.569 -2.018) 4.704 2.769 ( -1.676 -1.165 -0.192) 2.051 2.769 ( -1.676 1.165 -0.192) 2.051 2.806 ( -0.341 -0.991 2.427) 2.644 2.806 ( -0.341 0.991 2.427) 2.644 2.852 ( -1.636 -1.919 0.488) 2.569 2.852 ( -1.636 1.919 0.488) 2.569 2.935 ( 0.694 -0.942 -2.784) 3.019 2.935 ( 0.694 0.942 -2.784) 3.019 3.037 ( 0.485 -1.508 -0.053) 1.585 3.037 ( 0.485 1.508 -0.053) 1.585 3.122 ( -0.535 -1.138 0.262) 1.285 3.122 ( -0.535 1.138 0.262) 1.285 3.204 ( -3.056 -3.740 0.427) 4.849 3.204 ( -3.056 3.740 0.427) 4.849 3.262 ( 1.658 -1.287 -3.010) 3.669 3.262 ( 1.658 1.287 -3.010) 3.669 3.314 ( 1.632 -1.703 -0.817) 2.496 3.314 ( 1.632 1.703 -0.817) 2.496 3.393 ( -0.394 -0.994 0.614) 1.233 3.393 ( -0.394 0.994 0.614) 1.233 3.583 ( 0.700 -2.037 -1.169) 2.451 3.583 ( 0.700 2.037 -1.169) 2.451 3.620 ( -0.664 -2.447 -1.510) 2.951 3.620 ( -0.664 2.447 -1.510) 2.951 3.789 ( 1.717 -2.150 0.037) 2.752 3.789 ( 1.717 2.150 0.037) 2.752 3.877 ( 1.403 -3.598 -1.923) 4.314 3.877 ( 1.403 3.598 -1.923) 4.314 4.030 ( -0.207 -0.604 1.320) 1.466 4.030 ( -0.207 0.604 1.320) 1.466 4.115 ( -2.344 -3.214 -0.438) 4.002 4.115 ( -2.344 3.214 -0.438) 4.002 4.186 ( 1.729 -1.364 0.274) 2.219 4.186 ( 1.729 1.364 0.274) 2.219 4.548 ( 1.231 -1.991 -0.419) 2.378 4.548 ( 1.231 1.991 -0.419) 2.378 4.627 ( 0.794 -1.356 -0.572) 1.672 4.627 ( 0.794 1.356 -0.572) 1.672 4.953 ( -2.374 -0.303 3.166) 3.969 4.953 ( -2.374 0.303 3.166) 3.969 5.085 ( -0.827 -1.281 0.967) 1.806 5.085 ( -0.827 1.281 0.967) 1.806 5.186 ( 0.422 -1.345 -1.038) 1.751 5.186 ( 0.422 1.345 -1.038) 1.751 5.371 ( 1.168 -0.393 0.517) 1.336 5.371 ( 1.168 0.393 0.517) 1.336 5.736 ( -0.430 -0.128 -1.314) 1.388 5.736 ( -0.430 0.128 -1.314) 1.388 5.845 ( -1.203 -0.567 1.384) 1.919 5.845 ( -1.203 0.567 1.384) 1.919 6.642 ( 0.049 -0.343 -0.036) 0.349 6.642 ( 0.049 0.343 -0.036) 0.349 7.030 ( 0.555 -0.896 0.699) 1.264 7.030 ( 0.555 0.896 0.699) 1.264 7.514 ( -0.576 -0.800 0.061) 0.988 7.514 ( -0.576 0.800 0.061) 0.988 7.652 ( -2.318 -0.341 1.811) 2.961 7.652 ( -2.318 0.341 1.811) 2.961 8.314 ( 0.259 -0.533 -0.055) 0.595 8.314 ( 0.259 0.533 -0.055) 0.595 8.398 ( 0.268 -1.371 -0.315) 1.432 8.398 ( 0.268 1.371 -0.315) 1.432 8.420 ( 1.394 -1.131 1.223) 2.172 8.420 ( 1.394 1.131 1.223) 2.172 8.545 ( -0.166 -0.402 -0.472) 0.642 8.545 ( -0.166 0.402 -0.472) 0.642 9.200 ( 0.217 -0.374 -0.531) 0.685 9.200 ( 0.217 0.374 -0.531) 0.685 9.381 ( 0.142 -0.265 0.259) 0.397 9.381 ( 0.142 0.265 0.259) 0.397 ======================= Grid point 113 (62/78) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -11.948 -4.240 -1.167) 12.731 0.897 ( -11.948 4.240 -1.167) 12.731 1.029 ( -9.562 -6.248 1.292) 11.495 1.029 ( -9.562 6.248 1.292) 11.495 1.293 ( 1.432 -4.669 -0.625) 4.924 1.293 ( 1.432 4.669 -0.625) 4.924 1.438 ( 0.203 -2.181 -4.703) 5.188 1.438 ( 0.203 2.181 -4.703) 5.188 1.544 ( -5.565 -4.603 -0.326) 7.229 1.544 ( -5.565 4.603 -0.326) 7.229 1.645 ( 1.812 -1.913 3.126) 4.089 1.645 ( 1.812 1.913 3.126) 4.089 1.679 ( -0.877 -2.407 3.164) 4.072 1.679 ( -0.877 2.407 3.164) 4.072 1.804 ( 2.333 -0.957 2.780) 3.753 1.804 ( 2.333 0.957 2.780) 3.753 1.861 ( -0.386 -0.936 1.213) 1.580 1.861 ( -0.386 0.936 1.213) 1.580 1.944 ( 3.228 -1.924 -0.379) 3.776 1.944 ( 3.228 1.924 -0.379) 3.776 1.982 ( -1.389 -1.712 -1.221) 2.520 1.982 ( -1.389 1.712 -1.221) 2.520 2.132 ( 3.066 -3.397 0.994) 4.683 2.132 ( 3.066 3.397 0.994) 4.683 2.185 ( 0.802 -2.014 -0.267) 2.184 2.185 ( 0.802 2.014 -0.267) 2.184 2.305 ( 1.740 -2.263 0.295) 2.870 2.305 ( 1.740 2.263 0.295) 2.870 2.408 ( 2.445 -3.662 -2.234) 4.937 2.408 ( 2.445 3.662 -2.234) 4.937 2.479 ( 0.084 -2.793 2.833) 3.979 2.479 ( 0.084 2.793 2.833) 3.979 2.537 ( -0.125 -2.752 0.293) 2.770 2.537 ( -0.125 2.752 0.293) 2.770 2.567 ( 3.995 -3.130 3.509) 6.170 2.567 ( 3.995 3.130 3.509) 6.170 2.669 ( 0.898 -1.270 -0.845) 1.770 2.669 ( 0.898 1.270 -0.845) 1.770 2.741 ( 0.369 -3.440 -1.789) 3.895 2.741 ( 0.369 3.440 -1.789) 3.895 2.815 ( -0.444 -0.914 1.783) 2.052 2.815 ( -0.444 0.914 1.783) 2.052 2.854 ( -1.497 -1.342 0.628) 2.106 2.854 ( -1.497 1.342 0.628) 2.106 2.911 ( -0.555 -3.078 -0.355) 3.147 2.911 ( -0.555 3.078 -0.355) 3.147 3.037 ( -0.867 -1.601 0.517) 1.893 3.037 ( -0.867 1.601 0.517) 1.893 3.121 ( -0.651 -2.080 0.547) 2.248 3.121 ( -0.651 2.080 0.547) 2.248 3.164 ( -3.154 -4.543 1.165) 5.652 3.164 ( -3.154 4.543 1.165) 5.652 3.245 ( 0.338 -2.722 -1.525) 3.139 3.245 ( 0.338 2.722 -1.525) 3.139 3.326 ( 0.371 -0.168 -0.454) 0.610 3.326 ( 0.371 0.168 -0.454) 0.610 3.391 ( 0.152 -2.050 1.196) 2.378 3.391 ( 0.152 2.050 1.196) 2.378 3.548 ( 3.134 -2.622 -6.574) 7.740 3.548 ( 3.134 2.622 -6.574) 7.740 3.602 ( -1.830 -1.953 0.866) 2.813 3.602 ( -1.830 1.953 0.866) 2.813 3.790 ( -0.306 -5.077 -2.497) 5.666 3.790 ( -0.306 5.077 -2.497) 5.666 3.887 ( 1.562 -3.472 -0.072) 3.808 3.887 ( 1.562 3.472 -0.072) 3.808 4.019 ( -0.524 -2.437 -1.007) 2.688 4.019 ( -0.524 2.437 -1.007) 2.688 4.094 ( -1.241 -0.851 0.698) 1.659 4.094 ( -1.241 0.851 0.698) 1.659 4.211 ( 0.583 -1.861 0.441) 2.000 4.211 ( 0.583 1.861 0.441) 2.000 4.553 ( 1.701 -1.175 -2.072) 2.926 4.553 ( 1.701 1.175 -2.072) 2.926 4.630 ( 0.813 -1.864 -1.006) 2.269 4.630 ( 0.813 1.864 -1.006) 2.269 4.958 ( -2.121 -0.115 2.818) 3.529 4.958 ( -2.121 0.115 2.818) 3.529 5.060 ( -1.017 -1.403 -1.156) 2.083 5.060 ( -1.017 1.403 -1.156) 2.083 5.207 ( 0.779 -1.533 1.437) 2.241 5.207 ( 0.779 1.533 1.437) 2.241 5.403 ( 1.571 -0.688 0.739) 1.868 5.403 ( 1.571 0.688 0.739) 1.868 5.731 ( -0.096 -1.572 1.666) 2.292 5.731 ( -0.096 1.572 1.666) 2.292 5.854 ( -1.066 -0.612 3.018) 3.259 5.854 ( -1.066 0.612 3.018) 3.259 6.650 ( 0.212 -1.901 0.752) 2.056 6.650 ( 0.212 1.901 0.752) 2.056 7.037 ( 0.580 -2.363 -0.990) 2.626 7.037 ( 0.580 2.363 -0.990) 2.626 7.496 ( -0.981 -0.560 -0.788) 1.377 7.496 ( -0.981 0.560 -0.788) 1.377 7.632 ( -3.105 -2.588 1.163) 4.206 7.632 ( -3.105 2.588 1.163) 4.206 8.315 ( 0.341 -1.682 -0.350) 1.752 8.315 ( 0.341 1.682 -0.350) 1.752 8.403 ( 0.873 -1.026 -0.722) 1.529 8.403 ( 0.873 1.026 -0.722) 1.529 8.456 ( 2.007 -2.073 0.248) 2.896 8.456 ( 2.007 2.073 0.248) 2.896 8.541 ( -0.252 -0.806 0.507) 0.985 8.541 ( -0.252 0.806 0.507) 0.985 9.201 ( 0.264 -0.780 0.247) 0.860 9.201 ( 0.264 0.780 0.247) 0.860 9.385 ( 0.295 -0.280 -0.237) 0.471 9.385 ( 0.295 0.280 -0.237) 0.471 ======================= Grid point 115 (63/78) ======================= q-point: (-0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -4.040 -9.806 4.575) 11.550 0.780 ( -4.040 9.806 4.575) 11.550 0.966 ( -5.720 -8.624 7.195) 12.604 0.966 ( -5.720 8.624 7.195) 12.604 1.336 ( 3.240 -1.886 2.108) 4.301 1.336 ( 3.240 1.886 2.108) 4.301 1.380 ( 0.451 -5.227 -6.051) 8.009 1.380 ( 0.451 5.227 -6.051) 8.009 1.513 ( -0.135 -5.452 2.562) 6.025 1.513 ( -0.135 5.452 2.562) 6.025 1.665 ( -3.798 -1.330 -1.257) 4.215 1.665 ( -3.798 1.330 -1.257) 4.215 1.733 ( 1.054 -3.261 4.037) 5.296 1.733 ( 1.054 3.261 4.037) 5.296 1.778 ( -1.467 -1.759 1.077) 2.531 1.778 ( -1.467 1.759 1.077) 2.531 1.899 ( 0.524 -1.075 0.677) 1.375 1.899 ( 0.524 1.075 0.677) 1.375 1.970 ( -0.655 -3.140 4.035) 5.155 1.970 ( -0.655 3.140 4.035) 5.155 2.022 ( 2.200 -1.260 1.882) 3.157 2.022 ( 2.200 1.260 1.882) 3.157 2.151 ( -0.555 -1.470 -0.415) 1.625 2.151 ( -0.555 1.470 -0.415) 1.625 2.220 ( 3.978 -1.707 -2.622) 5.061 2.220 ( 3.978 1.707 -2.622) 5.061 2.313 ( 1.490 -1.903 -2.120) 3.215 2.313 ( 1.490 1.903 -2.120) 3.215 2.366 ( 0.435 -5.212 -2.932) 5.996 2.366 ( 0.435 5.212 -2.932) 5.996 2.464 ( -3.893 -1.625 0.351) 4.233 2.464 ( -3.893 1.625 0.351) 4.233 2.541 ( -2.813 -2.374 -0.383) 3.701 2.541 ( -2.813 2.374 -0.383) 3.701 2.645 ( 1.036 -1.608 -1.066) 2.190 2.645 ( 1.036 1.608 -1.066) 2.190 2.684 ( 3.114 -1.502 -0.496) 3.493 2.684 ( 3.114 1.502 -0.496) 3.493 2.739 ( 0.609 -2.346 0.002) 2.424 2.739 ( 0.609 2.346 0.002) 2.424 2.807 ( -1.281 -1.365 -0.705) 2.000 2.807 ( -1.281 1.365 -0.705) 2.000 2.855 ( -0.543 -2.887 0.590) 2.997 2.855 ( -0.543 2.887 0.590) 2.997 2.906 ( 0.396 -3.854 2.049) 4.382 2.906 ( 0.396 3.854 2.049) 4.382 3.022 ( -1.742 -2.255 0.689) 2.932 3.022 ( -1.742 2.255 0.689) 2.932 3.121 ( -1.844 -4.086 2.940) 5.361 3.121 ( -1.844 4.086 2.940) 5.361 3.159 ( 0.187 -2.443 0.792) 2.575 3.159 ( 0.187 2.443 0.792) 2.575 3.235 ( 0.718 -2.210 -1.044) 2.548 3.235 ( 0.718 2.210 -1.044) 2.548 3.318 ( -0.502 -0.818 0.626) 1.146 3.318 ( -0.502 0.818 0.626) 1.146 3.443 ( 3.368 -2.409 1.448) 4.387 3.443 ( 3.368 2.409 1.448) 4.387 3.542 ( 5.124 -3.420 -3.900) 7.291 3.542 ( 5.124 3.420 -3.900) 7.291 3.580 ( -2.313 -1.945 0.473) 3.059 3.580 ( -2.313 1.945 0.473) 3.059 3.728 ( -1.946 -3.304 -3.455) 5.161 3.728 ( -1.946 3.304 -3.455) 5.161 3.912 ( 1.857 -3.179 -0.416) 3.706 3.912 ( 1.857 3.179 -0.416) 3.706 4.010 ( -0.128 -1.692 0.300) 1.723 4.010 ( -0.128 1.692 0.300) 1.723 4.082 ( -1.136 -1.181 0.100) 1.642 4.082 ( -1.136 1.181 0.100) 1.642 4.206 ( -0.891 -1.554 -0.905) 2.007 4.206 ( -0.891 1.554 -0.905) 2.007 4.550 ( 2.063 -1.027 -2.456) 3.368 4.550 ( 2.063 1.027 -2.456) 3.368 4.620 ( 0.079 -2.762 -1.622) 3.204 4.620 ( 0.079 2.762 -1.622) 3.204 4.959 ( -2.128 -1.867 2.070) 3.507 4.959 ( -2.128 1.867 2.070) 3.507 5.052 ( 0.621 -3.202 0.662) 3.328 5.052 ( 0.621 3.202 0.662) 3.328 5.225 ( 0.088 -2.214 0.390) 2.250 5.225 ( 0.088 2.214 0.390) 2.250 5.423 ( 0.149 -1.405 0.072) 1.415 5.423 ( 0.149 1.405 0.072) 1.415 5.763 ( 0.515 -1.999 1.623) 2.627 5.763 ( 0.515 1.999 1.623) 2.627 5.906 ( 0.021 -2.663 6.643) 7.157 5.906 ( 0.021 2.663 6.643) 7.157 6.663 ( -0.094 -2.121 1.187) 2.433 6.663 ( -0.094 2.121 1.187) 2.433 7.021 ( 0.129 -2.940 -2.189) 3.668 7.021 ( 0.129 2.940 -2.189) 3.668 7.474 ( -0.419 -0.621 -0.733) 1.048 7.474 ( -0.419 0.621 -0.733) 1.048 7.590 ( -3.270 -2.247 -0.003) 3.968 7.590 ( -3.270 2.247 -0.003) 3.968 8.319 ( 0.640 -2.120 -0.129) 2.218 8.319 ( 0.640 2.120 -0.129) 2.218 8.395 ( 0.057 -1.031 -1.618) 1.919 8.395 ( 0.057 1.031 -1.618) 1.919 8.480 ( 1.306 -2.408 -0.754) 2.841 8.480 ( 1.306 2.408 -0.754) 2.841 8.546 ( -0.353 -0.427 0.866) 1.028 8.546 ( -0.353 0.427 0.866) 1.028 9.216 ( 0.481 -0.973 1.158) 1.587 9.216 ( 0.481 0.973 1.158) 1.587 9.383 ( 0.175 -0.409 -0.762) 0.882 9.383 ( 0.175 0.409 -0.762) 0.882 ======================= Grid point 125 (64/78) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 2.714 0.000 -9.953) 10.316 1.040 ( -2.714 0.000 9.953) 10.316 1.186 ( 6.270 0.000 -12.429) 13.921 1.186 ( -6.270 0.000 12.429) 13.921 1.382 ( 2.712 0.000 -2.191) 3.487 1.382 ( -2.712 0.000 2.191) 3.487 1.426 ( -3.677 0.000 -6.399) 7.381 1.426 ( 3.677 0.000 6.399) 7.381 1.529 ( -1.402 0.000 -0.776) 1.603 1.529 ( 1.402 0.000 0.776) 1.603 1.657 ( -4.967 0.000 -4.212) 6.513 1.657 ( 4.967 0.000 4.212) 6.513 1.704 ( -2.630 0.000 -0.613) 2.701 1.704 ( 2.630 0.000 0.613) 2.701 1.774 ( 3.782 0.000 -3.870) 5.411 1.774 ( -3.782 0.000 3.870) 5.411 1.832 ( 1.470 0.000 -8.651) 8.775 1.832 ( -1.470 0.000 8.651) 8.775 2.020 ( 4.383 0.000 -2.688) 5.142 2.020 ( -4.383 0.000 2.688) 5.142 2.072 ( 2.952 0.000 -4.210) 5.142 2.072 ( -2.952 0.000 4.210) 5.142 2.148 ( 2.325 0.000 -2.044) 3.096 2.148 ( -2.325 0.000 2.044) 3.096 2.216 ( -0.095 0.000 -0.991) 0.996 2.216 ( 0.095 0.000 0.991) 0.996 2.268 ( -2.030 0.000 -2.999) 3.622 2.268 ( 2.030 0.000 2.999) 3.622 2.313 ( 0.959 0.000 -5.037) 5.128 2.313 ( -0.959 0.000 5.037) 5.128 2.453 ( -1.757 0.000 -1.161) 2.106 2.453 ( 1.757 0.000 1.161) 2.106 2.492 ( -0.897 0.000 -2.657) 2.804 2.492 ( 0.897 0.000 2.657) 2.804 2.567 ( -4.490 0.000 -1.645) 4.782 2.567 ( 4.490 0.000 1.645) 4.782 2.617 ( 0.299 0.000 -1.036) 1.078 2.617 ( -0.299 0.000 1.036) 1.078 2.696 ( -1.391 0.000 -2.062) 2.487 2.696 ( 1.391 0.000 2.062) 2.487 2.823 ( -1.962 0.000 -0.330) 1.990 2.823 ( 1.962 0.000 0.330) 1.990 2.928 ( 0.282 0.000 -1.348) 1.377 2.928 ( -0.282 0.000 1.348) 1.377 2.989 ( 2.091 0.000 -6.244) 6.585 2.989 ( -2.091 0.000 6.244) 6.585 3.034 ( -0.378 0.000 -0.265) 0.462 3.034 ( 0.378 0.000 0.265) 0.462 3.110 ( -3.100 0.000 -1.313) 3.367 3.110 ( 3.100 0.000 1.313) 3.367 3.193 ( -1.672 0.000 -2.409) 2.932 3.193 ( 1.672 0.000 2.409) 2.932 3.276 ( -2.624 0.000 0.657) 2.705 3.276 ( 2.624 0.000 -0.657) 2.705 3.376 ( 1.587 0.000 -2.074) 2.612 3.376 ( -1.587 0.000 2.074) 2.612 3.430 ( 2.444 0.000 -2.003) 3.160 3.430 ( -2.444 0.000 2.003) 3.160 3.455 ( 4.909 0.000 -2.330) 5.434 3.455 ( -4.909 0.000 2.330) 5.434 3.564 ( -1.344 0.000 -0.830) 1.580 3.564 ( 1.344 0.000 0.830) 1.580 3.723 ( -0.109 0.000 -0.232) 0.256 3.723 ( 0.109 0.000 0.232) 0.256 3.939 ( -2.893 0.000 -0.521) 2.939 3.939 ( 2.893 0.000 0.521) 2.939 4.013 ( -4.870 0.000 0.380) 4.885 4.013 ( 4.870 0.000 -0.380) 4.885 4.089 ( -0.966 0.000 0.263) 1.001 4.089 ( 0.966 0.000 -0.263) 1.001 4.173 ( -2.759 0.000 -0.675) 2.840 4.173 ( 2.759 0.000 0.675) 2.840 4.519 ( -0.510 0.000 -0.866) 1.005 4.519 ( 0.510 0.000 0.866) 1.005 4.559 ( -0.684 0.000 -1.763) 1.891 4.559 ( 0.684 0.000 1.763) 1.891 4.913 ( 1.419 0.000 -3.954) 4.201 4.913 ( -1.419 0.000 3.954) 4.201 5.094 ( 0.637 0.000 -3.643) 3.698 5.094 ( -0.637 0.000 3.643) 3.698 5.236 ( -3.286 0.000 -0.486) 3.322 5.236 ( 3.286 0.000 0.486) 3.322 5.441 ( -0.268 0.000 -1.531) 1.554 5.441 ( 0.268 0.000 1.531) 1.554 5.768 ( -0.313 0.000 -1.302) 1.339 5.768 ( 0.313 0.000 1.302) 1.339 6.109 ( 1.252 0.000 -6.944) 7.057 6.109 ( -1.252 0.000 6.944) 7.057 6.694 ( -2.979 0.000 -0.876) 3.105 6.694 ( 2.979 0.000 0.876) 3.105 6.970 ( -0.639 0.000 -2.988) 3.055 6.970 ( 0.639 0.000 2.988) 3.055 7.404 ( 1.200 0.000 -0.789) 1.436 7.404 ( -1.200 0.000 0.789) 1.436 7.613 ( -3.216 0.000 -0.588) 3.270 7.613 ( 3.216 0.000 0.588) 3.270 8.244 ( 1.340 0.000 -1.106) 1.738 8.244 ( -1.340 0.000 1.106) 1.738 8.371 ( 0.717 0.000 -0.296) 0.776 8.371 ( -0.717 0.000 0.296) 0.776 8.494 ( -0.424 0.000 -1.740) 1.791 8.494 ( 0.424 0.000 1.740) 1.791 8.581 ( 0.437 0.000 -0.945) 1.042 8.581 ( -0.437 0.000 0.945) 1.042 9.257 ( -0.252 0.000 -1.347) 1.370 9.257 ( 0.252 0.000 1.347) 1.370 9.362 ( 0.297 0.000 -0.220) 0.370 9.362 ( -0.297 0.000 0.220) 0.370 ======================= Grid point 127 (65/78) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -4.779 0.000 -17.808) 18.438 0.873 ( 1.857 0.000 -14.809) 14.925 1.204 ( -3.757 0.000 -0.222) 3.764 1.219 ( -4.282 0.000 2.286) 4.854 1.329 ( 8.162 0.000 -9.660) 12.647 1.391 ( -1.812 0.000 4.645) 4.986 1.415 ( 0.363 0.000 5.472) 5.484 1.462 ( -0.302 0.000 -4.079) 4.090 1.470 ( -3.513 0.000 -0.605) 3.565 1.559 ( 1.771 0.000 3.091) 3.563 1.591 ( 2.236 0.000 -1.028) 2.461 1.637 ( 1.617 0.000 -9.146) 9.288 1.711 ( -3.811 0.000 1.269) 4.016 1.758 ( 4.106 0.000 -3.446) 5.360 1.764 ( -0.788 0.000 2.356) 2.484 1.783 ( 2.485 0.000 1.788) 3.061 1.851 ( 5.798 0.000 -0.225) 5.803 1.946 ( -5.972 0.000 3.553) 6.949 1.980 ( -1.835 0.000 4.744) 5.086 1.980 ( -0.588 0.000 -5.684) 5.714 2.059 ( 0.068 0.000 -2.713) 2.714 2.070 ( -2.708 0.000 2.792) 3.889 2.167 ( 0.312 0.000 6.555) 6.563 2.182 ( 0.840 0.000 0.343) 0.907 2.200 ( 0.405 0.000 -1.309) 1.370 2.255 ( -0.488 0.000 0.985) 1.099 2.259 ( -2.167 0.000 2.978) 3.682 2.296 ( 5.637 0.000 -2.139) 6.029 2.319 ( 0.867 0.000 1.703) 1.911 2.377 ( -5.915 0.000 -0.360) 5.926 2.418 ( 3.205 0.000 8.100) 8.711 2.463 ( -0.447 0.000 -0.323) 0.551 2.471 ( 0.229 0.000 1.197) 1.219 2.510 ( 0.049 0.000 -1.872) 1.872 2.541 ( 0.082 0.000 2.987) 2.988 2.618 ( 0.574 0.000 0.054) 0.576 2.633 ( 0.372 0.000 1.464) 1.511 2.660 ( 2.525 0.000 0.653) 2.608 2.710 ( 3.010 0.000 2.415) 3.859 2.769 ( 3.225 0.000 3.313) 4.623 2.781 ( -1.294 0.000 -0.977) 1.621 2.822 ( 0.000 0.000 -2.988) 2.988 2.897 ( -1.089 0.000 -2.921) 3.117 2.900 ( -0.859 0.000 -3.597) 3.698 2.960 ( 1.970 0.000 -3.270) 3.817 3.003 ( -1.772 0.000 -1.134) 2.104 3.027 ( -2.380 0.000 3.158) 3.955 3.028 ( 1.062 0.000 -3.068) 3.246 3.057 ( -0.332 0.000 -1.580) 1.614 3.103 ( -4.348 0.000 -1.008) 4.463 3.172 ( 3.331 0.000 -1.558) 3.678 3.222 ( -0.700 0.000 1.255) 1.437 3.250 ( -1.426 0.000 0.679) 1.579 3.278 ( 0.607 0.000 -3.650) 3.700 3.362 ( -0.833 0.000 -0.116) 0.841 3.366 ( 2.610 0.000 -5.133) 5.759 3.389 ( -3.281 0.000 0.351) 3.300 3.396 ( 0.064 0.000 -0.503) 0.507 3.453 ( -3.606 0.000 5.077) 6.227 3.539 ( 4.124 0.000 -1.253) 4.310 3.551 ( 3.799 0.000 -1.483) 4.078 3.583 ( 1.338 0.000 -1.708) 2.169 3.731 ( -0.853 0.000 1.885) 2.069 3.752 ( 0.663 0.000 2.922) 2.996 3.868 ( -3.826 0.000 -3.509) 5.191 3.959 ( -4.130 0.000 4.230) 5.912 3.978 ( 2.224 0.000 -1.040) 2.455 4.037 ( -1.867 0.000 2.348) 3.000 4.099 ( -0.737 0.000 -0.024) 0.737 4.113 ( 1.026 0.000 0.766) 1.280 4.154 ( 1.176 0.000 1.271) 1.731 4.226 ( 2.116 0.000 1.464) 2.573 4.496 ( 0.048 0.000 -1.202) 1.203 4.523 ( 0.043 0.000 -0.575) 0.577 4.542 ( 0.427 0.000 -1.059) 1.142 4.607 ( 1.654 0.000 2.269) 2.808 4.894 ( 1.573 0.000 -2.275) 2.766 4.946 ( -1.683 0.000 4.738) 5.028 5.062 ( 1.222 0.000 -3.557) 3.761 5.133 ( -0.587 0.000 3.712) 3.758 5.170 ( -4.424 0.000 -0.668) 4.474 5.276 ( 1.920 0.000 -0.323) 1.947 5.412 ( -0.636 0.000 -1.815) 1.923 5.455 ( -0.522 0.000 0.643) 0.828 5.747 ( -0.114 0.000 -1.516) 1.520 5.790 ( 0.342 0.000 1.279) 1.324 6.008 ( -1.406 0.000 -7.277) 7.411 6.116 ( -6.715 0.000 2.648) 7.218 6.638 ( -1.756 0.000 -1.999) 2.661 6.737 ( 2.487 0.000 -0.874) 2.636 6.947 ( -0.608 0.000 1.051) 1.214 7.028 ( -0.002 0.000 4.625) 4.625 7.405 ( -0.223 0.000 1.021) 1.045 7.418 ( 1.808 0.000 -0.657) 1.924 7.586 ( -0.997 0.000 1.041) 1.441 7.700 ( 4.596 0.000 3.729) 5.919 8.241 ( -1.205 0.000 1.326) 1.792 8.251 ( 1.316 0.000 -1.070) 1.696 8.365 ( -0.913 0.000 0.875) 1.264 8.373 ( -0.238 0.000 -0.144) 0.279 8.466 ( -0.999 0.000 -1.017) 1.425 8.518 ( -0.537 0.000 1.756) 1.836 8.579 ( 0.951 0.000 -0.947) 1.342 8.587 ( -0.579 0.000 0.813) 0.998 9.226 ( -0.477 0.000 -2.269) 2.319 9.261 ( -0.407 0.000 -0.475) 0.626 9.364 ( -0.489 0.000 0.912) 1.035 9.369 ( -0.052 0.000 0.960) 0.961 ======================= Grid point 128 (66/78) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 9.979 0.000 -9.697) 13.914 0.775 ( 8.627 0.000 -12.177) 14.923 1.121 ( -4.598 0.000 -0.809) 4.668 1.203 ( 3.220 0.000 -0.891) 3.341 1.329 ( 6.126 0.000 -7.054) 9.343 1.388 ( -4.463 0.000 2.938) 5.343 1.454 ( -2.538 0.000 4.542) 5.203 1.454 ( 8.262 0.000 -5.860) 10.129 1.490 ( -2.401 0.000 4.186) 4.826 1.572 ( 6.151 0.000 -7.328) 9.567 1.612 ( 3.475 0.000 0.448) 3.503 1.637 ( 1.468 0.000 1.123) 1.849 1.675 ( -6.581 0.000 5.156) 8.361 1.746 ( -0.136 0.000 -0.923) 0.933 1.794 ( 0.678 0.000 1.966) 2.080 1.848 ( 4.667 0.000 -1.848) 5.020 1.882 ( -4.325 0.000 2.547) 5.020 1.886 ( 2.264 0.000 -5.978) 6.393 1.942 ( 1.191 0.000 0.645) 1.355 1.993 ( -0.962 0.000 -4.133) 4.243 1.994 ( -4.378 0.000 5.002) 6.648 2.031 ( -4.685 0.000 0.379) 4.700 2.127 ( -2.463 0.000 -1.948) 3.140 2.210 ( 0.374 0.000 -2.263) 2.294 2.224 ( -1.133 0.000 -0.778) 1.374 2.250 ( -4.284 0.000 1.385) 4.503 2.270 ( -0.841 0.000 -1.844) 2.026 2.308 ( -0.382 0.000 2.619) 2.647 2.336 ( -2.304 0.000 5.438) 5.906 2.378 ( 3.040 0.000 0.171) 3.045 2.460 ( 0.187 0.000 0.969) 0.987 2.463 ( -2.301 0.000 -1.159) 2.576 2.518 ( -2.434 0.000 1.577) 2.900 2.531 ( 1.499 0.000 3.358) 3.677 2.585 ( 3.014 0.000 2.853) 4.150 2.645 ( -2.210 0.000 1.715) 2.797 2.646 ( 1.445 0.000 0.316) 1.479 2.671 ( -0.321 0.000 -5.222) 5.231 2.753 ( 0.660 0.000 2.201) 2.298 2.756 ( -0.346 0.000 -5.299) 5.310 2.782 ( -0.560 0.000 2.282) 2.350 2.826 ( 2.020 0.000 -2.145) 2.946 2.849 ( 0.409 0.000 -0.496) 0.643 2.899 ( 2.170 0.000 2.717) 3.477 2.933 ( 2.790 0.000 -5.307) 5.996 2.942 ( -1.558 0.000 -3.125) 3.492 2.990 ( 0.053 0.000 -2.825) 2.825 3.004 ( -0.812 0.000 -1.256) 1.496 3.077 ( 4.338 0.000 -0.951) 4.441 3.089 ( -2.804 0.000 6.223) 6.825 3.189 ( 1.003 0.000 -1.460) 1.771 3.212 ( -0.275 0.000 -2.194) 2.211 3.225 ( -2.008 0.000 -1.279) 2.380 3.253 ( -2.418 0.000 3.843) 4.540 3.331 ( -0.390 0.000 -1.893) 1.932 3.345 ( 2.785 0.000 -3.873) 4.770 3.366 ( 0.240 0.000 -0.612) 0.658 3.408 ( 1.768 0.000 -1.887) 2.586 3.488 ( -1.282 0.000 5.976) 6.112 3.538 ( 2.978 0.000 -3.205) 4.375 3.569 ( 0.086 0.000 -1.645) 1.647 3.610 ( 3.267 0.000 -1.473) 3.584 3.717 ( -3.119 0.000 -0.463) 3.153 3.783 ( -0.425 0.000 0.681) 0.802 3.795 ( -0.124 0.000 -0.538) 0.552 3.977 ( -0.365 0.000 -1.656) 1.695 3.990 ( -1.754 0.000 6.413) 6.649 4.027 ( -4.629 0.000 4.528) 6.476 4.099 ( 0.288 0.000 1.559) 1.585 4.131 ( 0.461 0.000 0.239) 0.520 4.193 ( 2.035 0.000 -0.489) 2.092 4.259 ( 0.394 0.000 0.301) 0.495 4.499 ( 0.746 0.000 0.197) 0.772 4.513 ( 0.008 0.000 -0.676) 0.676 4.548 ( 1.690 0.000 0.373) 1.730 4.653 ( 1.279 0.000 1.194) 1.750 4.910 ( 2.622 0.000 0.140) 2.626 4.985 ( -1.639 0.000 5.094) 5.352 5.040 ( 2.167 0.000 -3.692) 4.281 5.095 ( -4.095 0.000 -0.601) 4.139 5.169 ( -1.304 0.000 3.806) 4.023 5.281 ( 0.764 0.000 -2.179) 2.310 5.378 ( -0.963 0.000 -1.591) 1.860 5.435 ( -2.041 0.000 -0.882) 2.223 5.724 ( 0.274 0.000 -2.089) 2.107 5.806 ( -0.189 0.000 0.671) 0.697 5.913 ( -0.686 0.000 -4.589) 4.640 5.994 ( -7.193 0.000 -3.555) 8.023 6.601 ( -0.474 0.000 -0.987) 1.095 6.740 ( 0.546 0.000 -2.317) 2.380 6.971 ( -0.524 0.000 3.482) 3.521 7.074 ( -1.012 0.000 3.469) 3.613 7.422 ( 0.473 0.000 1.285) 1.370 7.438 ( 1.869 0.000 -0.574) 1.955 7.608 ( 0.850 0.000 2.490) 2.631 7.818 ( 1.518 0.000 5.663) 5.863 8.241 ( -0.962 0.000 1.274) 1.596 8.256 ( 1.187 0.000 -1.031) 1.572 8.357 ( -1.479 0.000 -0.257) 1.501 8.365 ( -0.898 0.000 1.104) 1.423 8.441 ( -0.898 0.000 -0.449) 1.004 8.514 ( -1.532 0.000 0.017) 1.532 8.575 ( -0.814 0.000 -0.887) 1.204 8.585 ( 0.913 0.000 -0.481) 1.032 9.195 ( -0.013 0.000 -1.740) 1.740 9.239 ( -0.961 0.000 -1.223) 1.555 9.369 ( -0.463 0.000 1.017) 1.117 9.378 ( -0.256 0.000 0.710) 0.755 ======================= Grid point 129 (67/78) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 12.259 0.000 -8.219) 14.759 0.891 ( 16.734 0.000 3.405) 17.077 1.043 ( -5.984 0.000 2.083) 6.336 1.294 ( 4.960 0.000 2.861) 5.726 1.344 ( 3.559 0.000 -1.894) 4.031 1.375 ( -1.496 0.000 0.736) 1.667 1.444 ( -6.257 0.000 3.917) 7.381 1.512 ( 6.334 0.000 -2.099) 6.672 1.534 ( 3.714 0.000 -1.920) 4.181 1.589 ( -7.418 0.000 5.329) 9.133 1.600 ( 11.733 0.000 -4.834) 12.690 1.705 ( 1.724 0.000 5.408) 5.676 1.717 ( 5.113 0.000 1.331) 5.284 1.722 ( -1.576 0.000 -2.526) 2.977 1.808 ( -1.918 0.000 -0.423) 1.964 1.820 ( 1.395 0.000 -4.965) 5.157 1.887 ( -1.748 0.000 -3.019) 3.488 1.890 ( -1.813 0.000 4.416) 4.774 1.913 ( 2.513 0.000 0.285) 2.529 1.923 ( -5.510 0.000 0.354) 5.521 2.017 ( 3.853 0.000 -0.882) 3.952 2.043 ( -1.198 0.000 5.876) 5.997 2.077 ( -0.431 0.000 -2.744) 2.777 2.108 ( -6.563 0.000 -8.219) 10.518 2.183 ( -1.328 0.000 -0.948) 1.632 2.205 ( -3.982 0.000 2.574) 4.742 2.232 ( 1.972 0.000 -2.752) 3.386 2.314 ( -0.993 0.000 -1.366) 1.689 2.335 ( -8.728 0.000 1.738) 8.899 2.378 ( -3.872 0.000 0.627) 3.922 2.394 ( 1.123 0.000 -1.767) 2.094 2.419 ( -5.782 0.000 -4.081) 7.077 2.492 ( 0.013 0.000 1.306) 1.306 2.566 ( -3.338 0.000 2.779) 4.344 2.577 ( -1.931 0.000 -2.896) 3.481 2.641 ( 1.148 0.000 -1.585) 1.957 2.647 ( 0.866 0.000 5.182) 5.254 2.665 ( 5.214 0.000 -2.618) 5.834 2.733 ( 0.891 0.000 -0.206) 0.915 2.798 ( -3.741 0.000 -0.267) 3.750 2.818 ( 0.615 0.000 3.274) 3.331 2.839 ( 0.260 0.000 3.555) 3.565 2.843 ( 0.945 0.000 0.962) 1.348 2.872 ( 0.806 0.000 -4.930) 4.996 2.910 ( 0.754 0.000 -2.894) 2.991 2.941 ( 1.248 0.000 -3.650) 3.857 3.008 ( 2.194 0.000 0.277) 2.212 3.010 ( 4.237 0.000 0.172) 4.241 3.123 ( -1.069 0.000 2.035) 2.299 3.141 ( 5.537 0.000 -3.106) 6.348 3.164 ( -0.873 0.000 -1.098) 1.403 3.185 ( -0.904 0.000 1.235) 1.530 3.204 ( -1.488 0.000 1.695) 2.255 3.244 ( -6.177 0.000 6.652) 9.078 3.320 ( -0.135 0.000 -1.977) 1.982 3.330 ( 0.790 0.000 -3.056) 3.156 3.389 ( 3.640 0.000 0.073) 3.641 3.406 ( 3.781 0.000 -3.626) 5.238 3.537 ( -0.096 0.000 1.154) 1.158 3.562 ( 3.486 0.000 -1.491) 3.791 3.562 ( -0.948 0.000 3.372) 3.503 3.606 ( 0.467 0.000 -2.566) 2.608 3.673 ( -1.716 0.000 0.343) 1.750 3.753 ( -1.729 0.000 -2.409) 2.965 3.819 ( 2.273 0.000 0.390) 2.306 3.923 ( -4.363 0.000 -0.028) 4.363 4.047 ( -0.909 0.000 4.228) 4.324 4.055 ( -1.008 0.000 6.740) 6.815 4.128 ( 0.318 0.000 -1.779) 1.807 4.131 ( 0.373 0.000 2.365) 2.394 4.189 ( 0.858 0.000 -3.282) 3.392 4.240 ( -1.404 0.000 -1.933) 2.389 4.505 ( 0.379 0.000 -0.313) 0.492 4.509 ( -0.087 0.000 -0.032) 0.093 4.608 ( 1.793 0.000 3.625) 4.044 4.674 ( 0.830 0.000 -0.345) 0.899 4.965 ( 2.790 0.000 1.204) 3.039 5.024 ( -2.276 0.000 4.934) 5.434 5.033 ( 3.374 0.000 -3.686) 4.998 5.040 ( -2.641 0.000 0.280) 2.656 5.190 ( -1.577 0.000 2.820) 3.231 5.246 ( 0.232 0.000 -3.973) 3.979 5.348 ( -0.511 0.000 -1.118) 1.229 5.381 ( -2.756 0.000 -1.278) 3.038 5.713 ( 1.084 0.000 -0.848) 1.376 5.786 ( -1.306 0.000 -2.453) 2.779 5.871 ( 0.297 0.000 -1.981) 2.003 5.880 ( -2.096 0.000 -1.723) 2.713 6.601 ( 0.686 0.000 0.877) 1.114 6.699 ( -1.171 0.000 -2.997) 3.218 7.012 ( 0.294 0.000 3.099) 3.113 7.082 ( -1.647 0.000 0.939) 1.895 7.446 ( 0.326 0.000 1.353) 1.392 7.456 ( 1.505 0.000 -0.669) 1.647 7.671 ( 2.064 0.000 3.830) 4.351 7.844 ( -3.281 0.000 0.228) 3.288 8.250 ( 0.141 0.000 1.253) 1.261 8.260 ( 1.126 0.000 -0.872) 1.424 8.333 ( -1.140 0.000 0.110) 1.145 8.360 ( -1.397 0.000 0.459) 1.471 8.434 ( 0.101 0.000 0.413) 0.425 8.482 ( -1.420 0.000 -1.155) 1.830 8.561 ( 0.753 0.000 -0.806) 1.103 8.586 ( 0.084 0.000 -0.634) 0.640 9.184 ( 0.543 0.000 -0.737) 0.916 9.209 ( -0.909 0.000 -0.957) 1.320 9.377 ( -0.276 0.000 0.926) 0.966 9.382 ( 0.086 0.000 0.124) 0.151 ======================= Grid point 130 (68/78) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 10.733 0.000 -3.655) 11.338 0.907 ( -10.733 0.000 3.655) 11.338 1.220 ( -11.525 0.000 -5.436) 12.743 1.220 ( 11.525 0.000 5.436) 12.743 1.367 ( 3.773 0.000 -3.880) 5.412 1.367 ( -3.773 0.000 3.880) 5.412 1.477 ( -2.098 0.000 -4.524) 4.987 1.477 ( 2.098 0.000 4.524) 4.987 1.611 ( 2.331 0.000 -4.071) 4.691 1.611 ( -2.331 0.000 4.071) 4.691 1.673 ( -5.634 0.000 -1.698) 5.885 1.673 ( 5.634 0.000 1.698) 5.885 1.774 ( 5.489 0.000 -7.456) 9.258 1.774 ( -5.489 0.000 7.456) 9.258 1.797 ( -4.973 0.000 0.053) 4.974 1.797 ( 4.973 0.000 -0.053) 4.974 1.858 ( -1.880 0.000 -3.267) 3.769 1.858 ( 1.880 0.000 3.267) 3.769 1.925 ( 2.911 0.000 -1.820) 3.433 1.925 ( -2.911 0.000 1.820) 3.433 1.978 ( -3.752 0.000 -5.845) 6.946 1.978 ( 3.752 0.000 5.845) 6.946 2.073 ( -2.685 0.000 0.696) 2.773 2.073 ( 2.685 0.000 -0.696) 2.773 2.180 ( -1.678 0.000 0.389) 1.722 2.180 ( 1.678 0.000 -0.389) 1.722 2.234 ( 3.989 0.000 -2.560) 4.740 2.234 ( -3.989 0.000 2.560) 4.740 2.318 ( -3.851 0.000 -0.230) 3.858 2.318 ( 3.851 0.000 0.230) 3.858 2.374 ( 1.051 0.000 -2.679) 2.877 2.374 ( -1.051 0.000 2.679) 2.877 2.510 ( -1.656 0.000 -2.395) 2.911 2.510 ( 1.656 0.000 2.395) 2.911 2.606 ( 0.267 0.000 -4.511) 4.519 2.606 ( -0.267 0.000 4.511) 4.519 2.708 ( 3.796 0.000 -5.140) 6.390 2.708 ( -3.796 0.000 5.140) 6.390 2.739 ( -0.116 0.000 -0.918) 0.925 2.739 ( 0.116 0.000 0.918) 0.925 2.841 ( 2.718 0.000 -2.620) 3.775 2.841 ( -2.718 0.000 2.620) 3.775 2.869 ( 0.651 0.000 -0.320) 0.725 2.869 ( -0.651 0.000 0.320) 0.725 2.906 ( 1.235 0.000 -4.201) 4.378 2.906 ( -1.235 0.000 4.201) 4.378 3.042 ( -0.207 0.000 -0.704) 0.734 3.042 ( 0.207 0.000 0.704) 0.734 3.120 ( 1.218 0.000 -2.074) 2.405 3.120 ( -1.218 0.000 2.074) 2.405 3.185 ( 1.518 0.000 -1.049) 1.845 3.185 ( -1.518 0.000 1.049) 1.845 3.230 ( -2.229 0.000 -0.026) 2.229 3.230 ( 2.229 0.000 0.026) 2.229 3.309 ( 0.570 0.000 -1.405) 1.516 3.309 ( -0.570 0.000 1.405) 1.516 3.418 ( 2.218 0.000 -2.415) 3.279 3.418 ( -2.218 0.000 2.415) 3.279 3.556 ( -2.077 0.000 -0.269) 2.095 3.556 ( 2.077 0.000 0.269) 2.095 3.591 ( 3.061 0.000 -4.646) 5.564 3.591 ( -3.061 0.000 4.646) 5.564 3.690 ( -0.879 0.000 -3.278) 3.394 3.690 ( 0.879 0.000 3.278) 3.394 3.864 ( -3.751 0.000 0.337) 3.766 3.864 ( 3.751 0.000 -0.337) 3.766 4.093 ( -0.271 0.000 -2.917) 2.930 4.093 ( 0.271 0.000 2.917) 2.930 4.128 ( -0.101 0.000 -4.367) 4.369 4.128 ( 0.101 0.000 4.367) 4.369 4.187 ( -1.371 0.000 -2.159) 2.558 4.187 ( 1.371 0.000 2.159) 2.558 4.507 ( 0.367 0.000 -0.276) 0.460 4.507 ( -0.367 0.000 0.276) 0.460 4.664 ( 0.019 0.000 -2.529) 2.529 4.664 ( -0.019 0.000 2.529) 2.529 5.006 ( -2.132 0.000 0.276) 2.150 5.006 ( 2.132 0.000 -0.276) 2.150 5.044 ( 3.480 0.000 -3.609) 5.014 5.044 ( -3.480 0.000 3.609) 5.014 5.205 ( 0.869 0.000 -3.117) 3.236 5.205 ( -0.869 0.000 3.117) 3.236 5.342 ( -1.217 0.000 0.293) 1.252 5.342 ( 1.217 0.000 -0.293) 1.252 5.736 ( -1.053 0.000 -1.751) 2.044 5.736 ( 1.053 0.000 1.751) 2.044 5.861 ( 0.752 0.000 -0.806) 1.102 5.861 ( -0.752 0.000 0.806) 1.102 6.641 ( -1.531 0.000 -2.435) 2.876 6.641 ( 1.531 0.000 2.435) 2.876 7.055 ( -1.348 0.000 -1.450) 1.980 7.055 ( 1.348 0.000 1.450) 1.980 7.461 ( 0.580 0.000 -1.069) 1.216 7.461 ( -0.580 0.000 1.069) 1.216 7.762 ( -3.257 0.000 -3.877) 5.064 7.762 ( 3.257 0.000 3.877) 5.064 8.264 ( 0.648 0.000 -0.944) 1.145 8.264 ( -0.648 0.000 0.944) 1.145 8.337 ( -1.164 0.000 -0.453) 1.249 8.337 ( 1.164 0.000 0.453) 1.249 8.451 ( -0.680 0.000 -1.144) 1.331 8.451 ( 0.680 0.000 1.144) 1.331 8.573 ( -0.775 0.000 -0.481) 0.912 8.573 ( 0.775 0.000 0.481) 0.912 9.190 ( -0.757 0.000 -0.146) 0.771 9.190 ( 0.757 0.000 0.146) 0.771 9.382 ( 0.202 0.000 -0.468) 0.510 9.382 ( -0.202 0.000 0.468) 0.510 ======================= Grid point 135 (69/78) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 1.145 -2.952 -13.689) 14.050 1.001 ( -1.145 -2.952 13.689) 14.050 1.170 ( 1.646 -1.548 -11.683) 11.900 1.170 ( -1.646 -1.548 11.683) 11.900 1.305 ( 3.410 -5.095 -5.387) 8.162 1.305 ( -3.410 -5.095 5.387) 8.162 1.387 ( -3.330 -3.461 -4.023) 6.265 1.387 ( 3.330 -3.461 4.023) 6.265 1.505 ( -3.267 -0.058 -1.768) 3.715 1.505 ( 3.267 -0.058 1.768) 3.715 1.661 ( -2.404 1.003 -5.331) 5.934 1.661 ( 2.404 1.003 5.331) 5.934 1.745 ( 2.657 2.958 -5.066) 6.439 1.745 ( -2.657 2.958 5.066) 6.439 1.821 ( -0.049 2.199 -3.659) 4.269 1.821 ( 0.049 2.199 3.659) 4.269 1.907 ( 0.861 3.627 -3.850) 5.359 1.907 ( -0.861 3.627 3.850) 5.359 2.021 ( 1.484 0.526 -3.446) 3.788 2.021 ( -1.484 0.526 3.446) 3.788 2.067 ( 2.182 0.534 -5.270) 5.729 2.067 ( -2.182 0.534 5.270) 5.729 2.136 ( 0.172 -3.082 -0.573) 3.140 2.136 ( -0.172 -3.082 0.573) 3.140 2.209 ( -2.735 0.390 -2.168) 3.512 2.209 ( 2.735 0.390 2.168) 3.512 2.255 ( -2.409 1.899 -2.522) 3.971 2.255 ( 2.409 1.899 2.522) 3.971 2.332 ( -0.798 0.677 -4.933) 5.043 2.332 ( 0.798 0.677 4.933) 5.043 2.417 ( -3.345 -1.507 -0.453) 3.697 2.417 ( 3.345 -1.507 0.453) 3.697 2.509 ( 1.740 -0.440 -3.716) 4.127 2.509 ( -1.740 -0.440 3.716) 4.127 2.566 ( -3.612 -0.123 -1.898) 4.082 2.566 ( 3.612 -0.123 1.898) 4.082 2.651 ( 0.001 0.583 -2.228) 2.303 2.651 ( -0.001 0.583 2.228) 2.303 2.701 ( 0.590 1.963 -3.062) 3.685 2.701 ( -0.590 1.963 3.062) 3.685 2.799 ( -2.818 -1.365 -2.001) 3.716 2.799 ( 2.818 -1.365 2.001) 3.716 2.884 ( 0.946 -3.074 -1.041) 3.380 2.884 ( -0.946 -3.074 1.041) 3.380 2.997 ( 0.080 0.403 -3.442) 3.466 2.997 ( -0.080 0.403 3.442) 3.466 3.078 ( 0.273 2.319 -1.481) 2.765 3.078 ( -0.273 2.319 1.481) 2.765 3.098 ( -1.405 -0.265 -1.249) 1.898 3.098 ( 1.405 -0.265 1.249) 1.898 3.166 ( 0.223 -1.691 -2.344) 2.899 3.166 ( -0.223 -1.691 2.344) 2.899 3.264 ( -2.169 -0.497 -0.605) 2.306 3.264 ( 2.169 -0.497 0.605) 2.306 3.362 ( 2.443 -2.430 -3.764) 5.103 3.362 ( -2.443 -2.430 3.764) 5.103 3.461 ( -3.430 2.939 -1.346) 4.713 3.461 ( 3.430 2.939 1.346) 4.713 3.498 ( 0.694 3.657 -1.278) 3.936 3.498 ( -0.694 3.657 1.278) 3.936 3.566 ( -0.874 -0.071 -3.194) 3.312 3.566 ( 0.874 -0.071 3.194) 3.312 3.689 ( -0.238 -2.831 -0.888) 2.976 3.689 ( 0.238 -2.831 0.888) 2.976 3.929 ( -0.594 -1.101 -1.849) 2.233 3.929 ( 0.594 -1.101 1.849) 2.233 4.014 ( -0.482 0.497 -1.635) 1.776 4.014 ( 0.482 0.497 1.635) 1.776 4.088 ( -0.991 -0.291 -1.199) 1.582 4.088 ( 0.991 -0.291 1.199) 1.582 4.165 ( -1.765 -0.630 -0.467) 1.932 4.165 ( 1.765 -0.630 0.467) 1.932 4.521 ( -0.250 0.781 -0.564) 0.995 4.521 ( 0.250 0.781 0.564) 0.995 4.575 ( -1.488 0.522 -1.761) 2.364 4.575 ( 1.488 0.522 1.761) 2.364 4.937 ( 1.446 1.902 -2.872) 3.736 4.937 ( -1.446 1.902 2.872) 3.736 5.094 ( 0.542 0.091 -3.397) 3.441 5.094 ( -0.542 0.091 3.397) 3.441 5.231 ( -2.543 -0.531 -1.317) 2.913 5.231 ( 2.543 -0.531 1.317) 2.913 5.428 ( -0.386 -1.012 -1.278) 1.676 5.428 ( 0.386 -1.012 1.278) 1.676 5.774 ( -0.310 0.536 -0.958) 1.141 5.774 ( 0.310 0.536 0.958) 1.141 6.080 ( 0.827 -2.253 -4.554) 5.148 6.080 ( -0.827 -2.253 4.554) 5.148 6.695 ( -2.006 0.070 -0.652) 2.111 6.695 ( 2.006 0.070 0.652) 2.111 6.967 ( -0.469 -0.214 -2.242) 2.301 6.967 ( 0.469 -0.214 2.242) 2.301 7.428 ( 0.810 2.062 -0.419) 2.255 7.428 ( -0.810 2.062 0.419) 2.255 7.586 ( -2.558 -2.276 -0.208) 3.431 7.586 ( 2.558 -2.276 0.208) 3.431 8.280 ( -0.308 2.923 -0.813) 3.049 8.280 ( 0.308 2.923 0.813) 3.049 8.371 ( -1.219 -0.086 -0.063) 1.224 8.371 ( 1.219 -0.086 0.063) 1.224 8.479 ( -0.318 -1.284 -1.529) 2.021 8.479 ( 0.318 -1.284 1.529) 2.021 8.571 ( 0.072 -0.754 -0.584) 0.956 8.571 ( -0.072 -0.754 0.584) 0.956 9.258 ( -0.161 0.021 -0.952) 0.965 9.258 ( 0.161 0.021 0.952) 0.965 9.359 ( 0.200 -0.180 -0.266) 0.379 9.359 ( -0.200 -0.180 0.266) 0.379 ======================= Grid point 137 (70/78) ======================= q-point: ( 0.12 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -1.656 -0.281 -14.029) 14.129 1.001 ( 2.355 6.536 -12.711) 14.485 1.068 ( -3.683 -8.835 0.350) 9.579 1.240 ( -0.123 -3.685 -4.150) 5.551 1.283 ( -1.982 -2.203 -0.435) 2.995 1.326 ( 0.065 -4.502 3.231) 5.542 1.360 ( 1.954 -3.709 3.192) 5.269 1.447 ( 0.591 -1.107 -4.123) 4.310 1.460 ( 0.349 -0.951 5.421) 5.515 1.574 ( 2.175 0.727 -2.588) 3.458 1.597 ( 1.559 4.827 1.102) 5.191 1.665 ( -0.344 -0.782 2.003) 2.177 1.695 ( -1.885 -0.685 -4.172) 4.628 1.741 ( 2.805 1.334 -4.552) 5.511 1.850 ( 0.282 4.294 -4.759) 6.416 1.863 ( -2.067 1.300 -1.439) 2.834 1.876 ( -0.826 2.658 2.455) 3.711 1.933 ( 0.344 0.548 3.555) 3.613 1.981 ( -0.312 1.489 1.222) 1.951 2.030 ( 1.347 2.904 -4.149) 5.240 2.034 ( -0.842 -1.087 -1.773) 2.244 2.071 ( -2.390 -0.741 2.295) 3.395 2.108 ( -3.303 -2.020 1.399) 4.116 2.148 ( -1.299 -1.166 0.286) 1.769 2.184 ( -0.112 -3.345 3.309) 4.707 2.215 ( -0.645 -3.468 -0.219) 3.534 2.273 ( -1.499 0.701 -0.015) 1.655 2.291 ( 1.010 -1.533 1.634) 2.458 2.331 ( 2.356 2.505 1.676) 3.825 2.361 ( -1.994 1.240 1.378) 2.722 2.450 ( 1.291 -3.073 -1.578) 3.688 2.474 ( 6.053 3.251 4.432) 8.176 2.509 ( 1.397 -0.741 0.207) 1.595 2.535 ( 0.234 3.742 1.901) 4.204 2.547 ( -0.991 1.198 5.067) 5.300 2.629 ( 1.228 1.980 1.385) 2.710 2.646 ( 1.074 -0.259 0.861) 1.401 2.694 ( 1.742 0.937 1.527) 2.498 2.706 ( -0.102 2.556 1.319) 2.878 2.713 ( -1.048 -5.090 -2.898) 5.950 2.777 ( 2.235 -0.046 3.072) 3.799 2.828 ( -0.985 1.124 -0.005) 1.495 2.862 ( 0.566 -4.054 -3.963) 5.697 2.892 ( 1.484 -0.711 -0.147) 1.652 2.935 ( 0.156 0.982 -5.268) 5.361 2.997 ( -1.296 -1.252 -2.151) 2.806 3.047 ( -0.450 0.746 -2.496) 2.643 3.076 ( -0.828 1.549 0.337) 1.788 3.091 ( -0.548 1.996 0.271) 2.088 3.104 ( -0.368 2.252 -1.684) 2.836 3.147 ( 1.981 -0.988 -0.671) 2.313 3.181 ( -0.188 -2.377 -0.017) 2.384 3.237 ( -1.697 -2.675 2.297) 3.913 3.286 ( -0.992 0.847 0.481) 1.390 3.346 ( 2.568 -2.579 -3.383) 4.969 3.363 ( -0.998 -2.222 0.062) 2.436 3.381 ( -3.881 2.841 -0.454) 4.831 3.441 ( -2.686 1.893 -2.511) 4.136 3.467 ( -2.679 1.193 1.305) 3.210 3.517 ( 1.822 2.079 -2.160) 3.509 3.586 ( 5.177 2.420 -0.804) 5.771 3.621 ( 2.142 0.344 -0.391) 2.205 3.696 ( -0.303 -3.606 1.551) 3.937 3.719 ( 1.055 -1.892 3.363) 4.000 3.870 ( -3.233 0.601 -2.327) 4.029 3.938 ( -1.739 -1.581 2.316) 3.300 4.002 ( 1.267 1.603 -1.437) 2.499 4.040 ( -1.739 0.571 2.406) 3.023 4.058 ( -0.454 -1.915 -0.665) 2.077 4.118 ( 1.603 -1.532 0.489) 2.271 4.159 ( 0.189 1.000 0.994) 1.423 4.214 ( 2.205 -1.150 1.549) 2.930 4.511 ( -0.504 0.495 0.704) 0.997 4.531 ( -1.257 0.114 -0.545) 1.375 4.542 ( 1.082 1.854 -0.521) 2.209 4.617 ( 1.037 0.093 1.732) 2.021 4.929 ( 1.191 2.588 -1.323) 3.141 4.957 ( -1.345 1.107 3.474) 3.887 5.057 ( 0.514 -0.218 -3.311) 3.358 5.121 ( -2.096 -1.917 2.545) 3.814 5.173 ( -2.046 1.440 -0.746) 2.611 5.274 ( 1.665 -0.906 0.040) 1.896 5.406 ( -0.533 -0.148 -0.960) 1.108 5.444 ( -0.282 -1.017 0.745) 1.292 5.757 ( -0.224 0.911 -1.226) 1.544 5.791 ( 0.250 -0.081 0.809) 0.851 5.999 ( -1.512 -0.559 -6.117) 6.326 6.070 ( -4.722 -3.636 0.138) 5.961 6.654 ( -1.179 1.442 -1.804) 2.593 6.723 ( 1.776 -1.298 -0.956) 2.399 6.951 ( -0.626 0.584 1.076) 1.375 7.012 ( -0.308 -1.499 3.996) 4.279 7.426 ( -0.191 1.862 0.861) 2.060 7.444 ( 1.519 2.070 -0.278) 2.583 7.572 ( -0.289 -1.047 1.143) 1.577 7.652 ( 4.066 -3.859 2.086) 5.982 8.263 ( -0.839 2.520 0.053) 2.656 8.299 ( 0.545 3.193 0.884) 3.357 8.354 ( -1.289 -0.534 0.480) 1.476 8.390 ( 0.741 0.767 0.190) 1.083 8.452 ( -1.593 -0.977 -0.295) 1.892 8.501 ( -0.546 -1.592 1.662) 2.365 8.566 ( 0.351 -0.818 -0.647) 1.101 8.578 ( 0.224 -0.910 -0.073) 0.940 9.230 ( -0.526 0.411 -2.018) 2.125 9.255 ( -0.482 -0.562 -0.806) 1.094 9.364 ( -0.181 -0.004 0.795) 0.815 9.368 ( -0.150 -0.147 1.128) 1.148 ======================= Grid point 138 (71/78) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 10.478 5.271 -4.588) 12.595 0.896 ( 7.191 8.728 -12.677) 16.988 1.073 ( 2.696 -5.784 2.546) 6.871 1.199 ( 1.282 0.833 -3.562) 3.876 1.239 ( -2.181 -3.382 2.264) 4.617 1.368 ( -3.458 -5.067 5.780) 8.429 1.401 ( 5.483 -2.187 -4.201) 7.245 1.456 ( 4.392 -8.446 -1.204) 9.595 1.530 ( 0.340 0.145 2.058) 2.091 1.570 ( -2.753 6.897 -0.120) 7.427 1.586 ( 2.792 0.465 -1.622) 3.262 1.667 ( 4.907 2.408 -3.362) 6.417 1.702 ( -3.783 2.389 1.498) 4.719 1.726 ( 1.965 -1.862 -1.979) 3.353 1.814 ( 0.983 0.255 0.818) 1.304 1.824 ( -1.346 1.078 0.911) 1.951 1.894 ( -0.818 -1.742 1.907) 2.709 1.911 ( -0.614 3.835 -2.086) 4.408 1.951 ( -3.102 -1.889 -4.383) 5.692 1.962 ( -1.918 -2.746 -1.048) 3.510 2.001 ( -1.307 2.413 -1.785) 3.273 2.074 ( -3.361 -1.043 -0.261) 3.529 2.110 ( -1.378 -0.588 3.213) 3.545 2.125 ( -0.861 -0.839 -1.581) 1.986 2.176 ( -1.736 -2.369 -0.005) 2.937 2.226 ( -1.730 -1.591 1.781) 2.949 2.259 ( -0.955 -1.774 0.474) 2.070 2.267 ( -1.744 -0.091 0.255) 1.765 2.377 ( 4.153 0.506 -0.195) 4.188 2.420 ( 0.498 2.389 2.536) 3.519 2.446 ( -0.342 -3.784 1.378) 4.042 2.499 ( -3.463 1.872 1.058) 4.076 2.546 ( -2.560 2.280 1.401) 3.703 2.573 ( 1.998 2.534 -0.678) 3.297 2.601 ( -0.015 0.934 0.059) 0.936 2.641 ( -0.744 0.575 0.181) 0.957 2.667 ( -0.083 0.448 -1.325) 1.401 2.688 ( -0.721 -0.964 -2.327) 2.621 2.700 ( 1.281 -1.812 0.724) 2.334 2.756 ( 1.711 1.336 3.293) 3.944 2.772 ( 0.516 -1.728 -2.385) 2.990 2.825 ( -1.668 2.971 -1.442) 3.700 2.855 ( 2.206 -2.142 -0.594) 3.132 2.862 ( 0.712 -2.110 1.281) 2.569 2.919 ( -0.979 1.758 -1.947) 2.800 2.937 ( 2.240 -0.577 -4.787) 5.316 3.025 ( 0.872 1.334 -2.338) 2.829 3.071 ( 0.984 4.144 0.415) 4.279 3.098 ( 1.374 0.622 1.117) 1.877 3.112 ( 2.133 1.341 -1.151) 2.770 3.150 ( -1.389 -1.134 -0.165) 1.801 3.187 ( -0.107 -1.048 0.948) 1.417 3.245 ( 0.201 -0.769 1.120) 1.374 3.262 ( -3.387 2.097 1.981) 4.449 3.330 ( 0.651 -0.960 -2.033) 2.341 3.336 ( -1.086 0.271 -2.690) 2.913 3.371 ( -0.389 0.928 -0.694) 1.223 3.392 ( 2.408 -3.727 0.560) 4.472 3.474 ( -0.389 -1.983 3.256) 3.832 3.491 ( -0.355 1.661 -3.092) 3.528 3.622 ( 1.779 1.142 -2.488) 3.264 3.650 ( 2.887 1.501 0.059) 3.254 3.687 ( -2.016 -2.544 0.337) 3.263 3.779 ( 0.538 3.014 -0.420) 3.090 3.823 ( 0.099 0.398 2.201) 2.239 3.947 ( -0.952 -2.400 1.666) 3.073 3.993 ( -1.574 0.921 -1.278) 2.227 4.022 ( -2.017 -0.932 3.594) 4.225 4.087 ( 1.092 -0.617 2.229) 2.558 4.135 ( 1.003 -1.069 -0.874) 1.706 4.178 ( 0.379 0.319 0.263) 0.561 4.251 ( 0.741 -1.199 0.369) 1.457 4.507 ( -1.374 0.732 0.977) 1.838 4.530 ( 0.836 -1.053 0.549) 1.452 4.556 ( 1.046 3.043 0.310) 3.233 4.646 ( 0.521 -0.808 0.876) 1.300 4.943 ( 1.283 2.152 0.713) 2.605 4.987 ( -0.942 0.668 3.942) 4.108 5.027 ( 0.928 -0.951 -3.155) 3.423 5.087 ( -3.001 -1.572 0.423) 3.414 5.173 ( -0.219 1.494 1.475) 2.111 5.277 ( 0.308 -1.197 -1.856) 2.230 5.387 ( -0.921 1.051 -0.514) 1.489 5.430 ( -1.802 -0.508 -0.664) 1.987 5.735 ( 0.091 1.038 -1.965) 2.224 5.797 ( -0.261 -0.970 -0.094) 1.009 5.909 ( -0.917 -0.038 -4.146) 4.247 5.964 ( -4.689 -2.317 -3.933) 6.544 6.622 ( -0.419 1.930 -1.155) 2.288 6.719 ( 0.331 -1.851 -2.037) 2.772 6.971 ( -0.334 0.457 2.864) 2.919 7.050 ( -1.094 -2.188 3.303) 4.111 7.443 ( 0.564 1.803 1.222) 2.250 7.464 ( 1.513 1.968 -0.111) 2.485 7.601 ( 1.184 -0.291 2.136) 2.459 7.739 ( 2.498 -5.942 2.619) 6.958 8.259 ( -0.238 2.204 0.578) 2.291 8.314 ( -0.350 3.066 0.967) 3.234 8.346 ( -0.928 -0.127 0.683) 1.159 8.394 ( -0.702 1.885 0.188) 2.020 8.427 ( -1.396 -1.150 0.207) 1.820 8.498 ( -1.488 -1.534 0.246) 2.151 8.560 ( -0.082 -0.891 -0.873) 1.250 8.576 ( 0.398 -1.005 -0.643) 1.257 9.201 ( -0.121 0.557 -1.544) 1.646 9.231 ( -0.703 -0.643 -1.211) 1.541 9.371 ( -0.321 0.149 0.883) 0.951 9.377 ( -0.337 -0.108 0.844) 0.915 ======================= Grid point 139 (72/78) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 10.098 7.887 -5.030) 13.765 0.954 ( 15.665 5.571 2.735) 16.849 1.101 ( -5.190 5.379 1.891) 7.711 1.243 ( 6.220 -3.579 2.138) 7.488 1.311 ( 5.302 -3.908 3.845) 7.627 1.365 ( -3.185 -2.208 1.562) 4.179 1.432 ( 1.010 -6.323 0.749) 6.446 1.487 ( -2.807 0.298 -0.569) 2.879 1.542 ( -3.094 1.668 1.413) 3.788 1.563 ( 6.867 -2.242 1.922) 7.475 1.628 ( 6.274 0.023 -2.860) 6.895 1.661 ( -0.439 1.309 0.120) 1.386 1.692 ( 4.038 1.995 -4.589) 6.430 1.755 ( 0.448 -1.492 0.866) 1.782 1.784 ( -2.184 -1.594 0.562) 2.762 1.832 ( -5.165 -3.518 -4.014) 7.427 1.854 ( 1.414 2.479 -0.390) 2.881 1.868 ( -1.455 -0.237 0.089) 1.477 1.924 ( -0.996 -1.078 1.726) 2.266 1.962 ( -0.032 1.591 0.066) 1.592 1.968 ( 1.003 -4.434 -0.756) 4.608 2.010 ( -2.204 -2.130 -0.876) 3.188 2.073 ( -0.512 2.325 -4.158) 4.791 2.115 ( -1.696 -0.618 0.753) 1.956 2.158 ( -3.061 -3.956 -0.875) 5.078 2.185 ( -1.605 2.777 3.143) 4.490 2.250 ( -1.619 1.737 -0.460) 2.419 2.276 ( -1.820 -1.482 1.366) 2.716 2.343 ( -2.071 1.356 -3.255) 4.089 2.406 ( -4.101 2.304 -1.847) 5.054 2.448 ( -1.103 -2.827 -2.028) 3.650 2.486 ( -2.590 1.309 -0.122) 2.904 2.488 ( -2.586 3.861 -0.572) 4.682 2.539 ( -2.724 -0.035 -1.789) 3.259 2.546 ( 0.203 -3.270 1.242) 3.504 2.611 ( -1.163 -1.353 -0.934) 2.014 2.643 ( -0.100 1.109 -1.660) 1.999 2.681 ( 1.311 -1.755 -1.163) 2.480 2.727 ( 1.602 0.553 1.814) 2.482 2.791 ( 1.288 -2.735 0.321) 3.040 2.809 ( 0.330 0.001 -0.297) 0.444 2.820 ( -0.653 0.247 2.331) 2.433 2.859 ( -0.964 1.016 -2.367) 2.750 2.899 ( 2.240 -0.344 2.288) 3.220 2.905 ( 1.203 0.954 -0.957) 1.809 2.924 ( 2.374 -0.319 -0.784) 2.521 2.996 ( 0.227 1.960 -2.236) 2.983 3.083 ( 0.889 -2.376 -3.141) 4.038 3.100 ( -0.540 1.584 -1.361) 2.156 3.136 ( -0.223 1.427 -0.617) 1.571 3.152 ( 1.843 1.329 1.934) 2.984 3.200 ( 1.797 0.620 1.070) 2.182 3.230 ( -2.282 2.070 1.094) 3.269 3.271 ( -0.833 0.495 1.313) 1.631 3.307 ( -0.229 -1.407 -1.154) 1.834 3.328 ( -1.564 0.047 0.679) 1.705 3.372 ( 1.629 -0.529 1.516) 2.288 3.450 ( 3.989 -4.240 -2.050) 6.172 3.464 ( 3.124 3.059 -1.008) 4.487 3.531 ( -0.907 -2.136 5.752) 6.202 3.608 ( 0.968 2.285 -2.720) 3.682 3.643 ( -2.437 1.783 -0.447) 3.052 3.697 ( 2.152 -0.971 0.085) 2.362 3.756 ( -1.095 5.370 -0.800) 5.539 3.859 ( 1.788 1.172 -1.031) 2.373 3.921 ( -5.044 -1.340 1.076) 5.329 3.993 ( 1.858 -1.404 2.633) 3.515 4.058 ( -0.969 -1.594 4.012) 4.424 4.128 ( 0.696 -0.557 -0.937) 1.293 4.135 ( 0.955 0.012 1.532) 1.806 4.164 ( -0.872 -0.511 -1.573) 1.870 4.240 ( -0.917 -1.011 -1.716) 2.193 4.509 ( -0.711 0.911 1.626) 1.995 4.533 ( 0.631 0.873 -1.369) 1.742 4.596 ( 1.001 -0.049 2.905) 3.073 4.654 ( 0.202 -1.594 -0.385) 1.652 4.975 ( 0.911 0.393 1.121) 1.497 5.004 ( 0.046 -1.056 -1.314) 1.686 5.031 ( -0.347 0.670 4.073) 4.142 5.070 ( 0.241 0.979 0.098) 1.013 5.182 ( -0.517 0.093 0.853) 1.002 5.240 ( -0.300 -0.903 -3.503) 3.630 5.364 ( -1.049 1.188 -0.588) 1.690 5.382 ( -2.361 0.147 -1.122) 2.618 5.721 ( 0.900 0.730 -1.024) 1.547 5.773 ( -0.708 -1.192 -2.371) 2.746 5.869 ( -0.137 -0.042 -1.415) 1.422 5.878 ( -1.304 -0.260 -1.898) 2.317 6.616 ( 0.382 1.342 0.354) 1.439 6.685 ( -0.928 -1.280 -2.381) 2.858 7.007 ( 0.346 -0.143 2.468) 2.497 7.060 ( -1.473 -1.931 1.217) 2.717 7.469 ( 0.538 1.939 1.314) 2.403 7.483 ( 1.195 2.124 -0.308) 2.456 7.656 ( 1.678 -1.059 2.943) 3.549 7.767 ( -0.733 -5.763 -0.432) 5.825 8.272 ( 0.511 1.891 1.081) 2.237 8.310 ( -0.736 2.515 -0.186) 2.627 8.343 ( -0.427 1.194 0.550) 1.382 8.375 ( -1.709 1.854 0.094) 2.523 8.423 ( -0.015 -1.063 0.709) 1.278 8.470 ( -1.411 -1.174 -0.849) 2.022 8.551 ( 0.612 -0.690 -0.709) 1.163 8.572 ( 0.011 -1.296 -0.657) 1.453 9.189 ( 0.355 0.504 -0.628) 0.880 9.208 ( -0.605 -0.188 -0.835) 1.048 9.377 ( -0.262 0.077 0.762) 0.809 9.381 ( -0.025 -0.086 0.255) 0.270 ======================= Grid point 140 (73/78) ======================= q-point: (-0.50 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -3.971 7.438 -0.113) 8.433 0.990 ( 3.971 7.438 0.113) 8.433 1.242 ( -10.018 1.697 -4.897) 11.279 1.242 ( 10.018 1.697 4.897) 11.279 1.351 ( -2.762 -2.247 -2.942) 4.619 1.351 ( 2.762 -2.247 2.942) 4.619 1.460 ( 0.539 -1.692 -4.294) 4.646 1.460 ( -0.539 -1.692 4.294) 4.646 1.588 ( -1.611 -3.719 -7.706) 8.707 1.588 ( 1.611 -3.719 7.706) 8.707 1.673 ( -3.708 -0.694 -1.712) 4.143 1.673 ( 3.708 -0.694 1.712) 4.143 1.699 ( -2.649 -0.777 -1.293) 3.049 1.699 ( 2.649 -0.777 1.293) 3.049 1.812 ( -8.346 0.901 -1.576) 8.541 1.812 ( 8.346 0.901 1.576) 8.541 1.872 ( 1.937 -0.693 -2.517) 3.251 1.872 ( -1.937 -0.693 2.517) 3.251 1.891 ( -4.493 -2.380 -2.780) 5.795 1.891 ( 4.493 -2.380 2.780) 5.795 1.990 ( -2.316 -3.142 -0.096) 3.904 1.990 ( 2.316 -3.142 0.096) 3.904 2.054 ( 0.085 3.245 -2.419) 4.048 2.054 ( -0.085 3.245 2.419) 4.048 2.169 ( -2.257 0.436 -1.456) 2.721 2.169 ( 2.257 0.436 1.456) 2.721 2.252 ( -1.983 0.974 -1.312) 2.570 2.252 ( 1.983 0.974 1.312) 2.570 2.327 ( 0.120 -1.921 -1.475) 2.425 2.327 ( -0.120 -1.921 1.475) 2.425 2.423 ( -2.302 3.910 -0.456) 4.561 2.423 ( 2.302 3.910 0.456) 4.561 2.496 ( -0.905 1.313 -2.360) 2.848 2.496 ( 0.905 1.313 2.360) 2.848 2.580 ( 1.029 -3.887 -3.544) 5.360 2.580 ( -1.029 -3.887 3.544) 5.360 2.661 ( 1.730 -2.138 -4.047) 4.893 2.661 ( -1.730 -2.138 4.047) 4.893 2.773 ( -0.967 1.590 -2.196) 2.879 2.773 ( 0.967 1.590 2.196) 2.879 2.817 ( 0.455 -0.986 -2.933) 3.128 2.817 ( -0.455 -0.986 2.933) 3.128 2.864 ( 2.418 0.672 -5.909) 6.420 2.864 ( -2.418 0.672 5.909) 6.420 2.952 ( 1.447 -1.031 -2.516) 3.080 2.952 ( -1.447 -1.031 2.516) 3.080 3.021 ( -1.760 -0.022 -4.041) 4.407 3.021 ( 1.760 -0.022 4.041) 4.407 3.100 ( -1.049 1.052 -0.709) 1.646 3.100 ( 1.049 1.052 0.709) 1.646 3.209 ( -2.736 0.979 0.825) 3.020 3.209 ( 2.736 0.979 -0.825) 3.020 3.251 ( -0.860 0.872 -2.018) 2.361 3.251 ( 0.860 0.872 2.018) 2.361 3.300 ( 1.281 -0.958 -1.075) 1.927 3.300 ( -1.281 -0.958 1.075) 1.927 3.432 ( 0.183 -0.460 -3.689) 3.723 3.432 ( -0.183 -0.460 3.689) 3.723 3.540 ( -5.337 0.534 1.581) 5.592 3.540 ( 5.337 0.534 -1.581) 5.592 3.603 ( -1.385 1.328 -0.194) 1.928 3.603 ( 1.385 1.328 0.194) 1.928 3.729 ( -1.563 2.906 -0.443) 3.329 3.729 ( 1.563 2.906 0.443) 3.329 3.872 ( 2.999 0.112 -1.779) 3.489 3.872 ( -2.999 0.112 1.779) 3.489 4.060 ( -1.468 -2.014 -2.163) 3.300 4.060 ( 1.468 -2.014 2.163) 3.300 4.124 ( 1.567 0.128 -2.524) 2.973 4.124 ( -1.567 0.128 2.524) 2.973 4.190 ( -1.420 -0.690 -2.713) 3.139 4.190 ( 1.420 -0.690 2.713) 3.139 4.522 ( 0.548 1.167 -1.645) 2.090 4.522 ( -0.548 1.167 1.645) 2.090 4.639 ( -0.211 -1.666 -2.078) 2.671 4.639 ( 0.211 -1.666 2.078) 2.671 4.992 ( -0.242 -0.804 -0.425) 0.941 4.992 ( 0.242 -0.804 0.425) 0.941 5.070 ( 0.877 1.803 -2.645) 3.318 5.070 ( -0.877 1.803 2.645) 3.318 5.194 ( 0.304 -0.946 -2.769) 2.941 5.194 ( -0.304 -0.946 2.769) 2.941 5.353 ( 0.149 0.812 -0.338) 0.893 5.353 ( -0.149 0.812 0.338) 0.893 5.736 ( -0.749 0.007 -1.313) 1.511 5.736 ( 0.749 0.007 1.313) 1.511 5.860 ( 0.526 -0.111 -0.567) 0.782 5.860 ( -0.526 -0.111 0.567) 0.782 6.641 ( -1.090 0.040 -1.736) 2.050 6.641 ( 1.090 0.040 1.736) 2.050 7.041 ( -1.125 -1.062 -0.948) 1.814 7.041 ( 1.125 -1.062 0.948) 1.814 7.486 ( 0.341 2.142 -0.999) 2.388 7.486 ( -0.341 2.142 0.999) 2.388 7.721 ( -1.834 -3.210 -2.885) 4.690 7.721 ( 1.834 -3.210 2.885) 4.690 8.294 ( -0.514 1.889 -0.889) 2.150 8.294 ( 0.514 1.889 0.889) 2.150 8.352 ( -0.849 1.700 -0.384) 1.939 8.352 ( 0.849 1.700 0.384) 1.939 8.441 ( -0.714 -1.012 -1.115) 1.666 8.441 ( 0.714 -1.012 1.115) 1.666 8.560 ( -0.593 -1.075 -0.366) 1.281 8.560 ( 0.593 -1.075 0.366) 1.281 9.193 ( -0.458 0.247 -0.176) 0.549 9.193 ( 0.458 0.247 0.176) 0.549 9.382 ( 0.168 -0.047 -0.345) 0.387 9.382 ( -0.168 -0.047 0.345) 0.387 ======================= Grid point 145 (74/78) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 0.000 0.000 0.000) 0.000 0.964 ( -0.000 0.000 0.000) 0.000 1.135 ( 0.000 0.000 -0.000) 0.000 1.135 ( -0.000 0.000 0.000) 0.000 1.268 ( 0.000 0.000 0.000) 0.000 1.268 ( 0.000 0.000 0.000) 0.000 1.331 ( -0.000 0.000 -0.000) 0.000 1.331 ( -0.000 0.000 0.000) 0.000 1.516 ( -0.000 0.000 0.000) 0.000 1.516 ( 0.000 0.000 0.000) 0.000 1.674 ( 0.000 0.000 0.000) 0.000 1.674 ( 0.000 0.000 0.000) 0.000 1.765 ( -0.000 0.000 -0.000) 0.000 1.765 ( -0.000 0.000 0.000) 0.000 1.880 ( -0.000 -0.000 -0.000) 0.000 1.880 ( 0.000 0.000 0.000) 0.000 1.906 ( -0.000 0.000 0.000) 0.000 1.906 ( -0.000 0.000 0.000) 0.000 2.056 ( 0.000 0.000 -0.000) 0.000 2.056 ( -0.000 -0.000 0.000) 0.000 2.064 ( 0.000 0.000 -0.000) 0.000 2.064 ( -0.000 0.000 0.000) 0.000 2.088 ( -0.000 0.000 -0.000) 0.000 2.088 ( -0.000 0.000 0.000) 0.000 2.235 ( -0.000 0.000 -0.000) 0.000 2.235 ( 0.000 0.000 0.000) 0.000 2.280 ( 0.000 -0.000 0.000) 0.000 2.280 ( -0.000 0.000 0.000) 0.000 2.326 ( -0.000 0.000 0.000) 0.000 2.326 ( -0.000 0.000 0.000) 0.000 2.439 ( -0.000 0.000 -0.000) 0.000 2.439 ( -0.000 0.000 0.000) 0.000 2.467 ( 0.000 -0.000 -0.000) 0.000 2.467 ( 0.000 -0.000 0.000) 0.000 2.565 ( 0.000 0.000 0.000) 0.000 2.565 ( 0.000 -0.000 0.000) 0.000 2.673 ( 0.000 0.000 -0.000) 0.000 2.673 ( -0.000 0.000 0.000) 0.000 2.694 ( 0.000 -0.000 -0.000) 0.000 2.694 ( -0.000 0.000 0.000) 0.000 2.797 ( -0.000 0.000 0.000) 0.000 2.797 ( -0.000 0.000 0.000) 0.000 2.850 ( 0.000 -0.000 0.000) 0.000 2.850 ( 0.000 -0.000 0.000) 0.000 3.003 ( 0.000 0.000 -0.000) 0.000 3.003 ( 0.000 0.000 0.000) 0.000 3.083 ( 0.000 -0.000 -0.000) 0.000 3.083 ( 0.000 -0.000 0.000) 0.000 3.104 ( -0.000 0.000 -0.000) 0.000 3.104 ( -0.000 0.000 0.000) 0.000 3.155 ( -0.000 0.000 0.000) 0.000 3.155 ( 0.000 0.000 0.000) 0.000 3.283 ( 0.000 -0.000 0.000) 0.000 3.283 ( -0.000 -0.000 0.000) 0.000 3.303 ( -0.000 0.000 -0.000) 0.000 3.303 ( 0.000 0.000 0.000) 0.000 3.504 ( 0.000 0.000 0.000) 0.000 3.504 ( -0.000 0.000 0.000) 0.000 3.544 ( -0.000 0.000 0.000) 0.000 3.544 ( 0.000 0.000 0.000) 0.000 3.577 ( 0.000 0.000 0.000) 0.000 3.577 ( 0.000 0.000 -0.000) 0.000 3.636 ( 0.000 0.000 -0.000) 0.000 3.636 ( 0.000 -0.000 0.000) 0.000 3.913 ( -0.000 0.000 0.000) 0.000 3.913 ( -0.000 0.000 0.000) 0.000 4.023 ( 0.000 0.000 0.000) 0.000 4.023 ( -0.000 0.000 0.000) 0.000 4.083 ( 0.000 0.000 0.000) 0.000 4.083 ( -0.000 0.000 0.000) 0.000 4.156 ( -0.000 0.000 0.000) 0.000 4.156 ( 0.000 0.000 0.000) 0.000 4.540 ( -0.000 -0.000 0.000) 0.000 4.540 ( -0.000 0.000 0.000) 0.000 4.572 ( -0.000 0.000 0.000) 0.000 4.572 ( 0.000 0.000 0.000) 0.000 4.963 ( -0.000 0.000 0.000) 0.000 4.963 ( -0.000 0.000 0.000) 0.000 5.097 ( -0.000 0.000 0.000) 0.000 5.097 ( -0.000 0.000 0.000) 0.000 5.222 ( -0.000 0.000 0.000) 0.000 5.222 ( 0.000 0.000 0.000) 0.000 5.415 ( -0.000 0.000 0.000) 0.000 5.415 ( -0.000 0.000 0.000) 0.000 5.782 ( 0.000 0.000 0.000) 0.000 5.782 ( -0.000 0.000 0.000) 0.000 6.050 ( -0.000 0.000 0.000) 0.000 6.050 ( 0.000 0.000 0.000) 0.000 6.696 ( 0.000 0.000 0.000) 0.000 6.696 ( 0.000 0.000 0.000) 0.000 6.964 ( -0.000 0.000 0.000) 0.000 6.964 ( -0.000 0.000 0.000) 0.000 7.461 ( -0.000 0.000 0.000) 0.000 7.461 ( -0.000 0.000 0.000) 0.000 7.550 ( -0.000 0.000 0.000) 0.000 7.550 ( 0.000 0.000 0.000) 0.000 8.327 ( 0.000 0.000 0.000) 0.000 8.327 ( -0.000 0.000 0.000) 0.000 8.362 ( 0.000 0.000 0.000) 0.000 8.362 ( 0.000 0.000 0.000) 0.000 8.460 ( 0.000 0.000 0.000) 0.000 8.460 ( 0.000 0.000 0.000) 0.000 8.561 ( -0.000 0.000 0.000) 0.000 8.561 ( -0.000 0.000 0.000) 0.000 9.258 ( 0.000 0.000 0.000) 0.000 9.258 ( 0.000 0.000 0.000) 0.000 9.357 ( 0.000 0.000 0.000) 0.000 9.357 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 149 (75/78) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -1.789 -8.206 -5.122) 9.837 0.877 ( -1.789 8.206 -5.122) 9.837 1.133 ( 3.902 -6.269 -8.673) 11.390 1.133 ( 3.902 6.269 -8.673) 11.390 1.242 ( -0.717 -1.918 4.441) 4.890 1.242 ( -0.717 1.918 4.441) 4.890 1.387 ( -0.327 -2.953 -0.742) 3.062 1.387 ( -0.327 2.953 -0.742) 3.062 1.537 ( -0.373 -4.991 2.731) 5.701 1.537 ( -0.373 4.991 2.731) 5.701 1.608 ( 0.434 -1.542 -0.736) 1.763 1.608 ( 0.434 1.542 -0.736) 1.763 1.773 ( -1.367 -4.188 0.276) 4.414 1.773 ( -1.367 4.188 0.276) 4.414 1.868 ( -0.571 -1.443 -3.649) 3.965 1.868 ( -0.571 1.443 -3.649) 3.965 1.918 ( 2.100 -1.659 -1.744) 3.195 1.918 ( 2.100 1.659 -1.744) 3.195 2.035 ( -0.608 -0.910 -2.674) 2.890 2.035 ( -0.608 0.910 -2.674) 2.890 2.063 ( -0.374 -0.196 -2.064) 2.107 2.063 ( -0.374 0.196 -2.064) 2.107 2.105 ( -4.161 -2.651 6.196) 7.920 2.105 ( -4.161 2.651 6.196) 7.920 2.152 ( -0.045 -1.810 -0.118) 1.814 2.152 ( -0.045 1.810 -0.118) 1.814 2.296 ( -0.932 -0.582 1.157) 1.596 2.296 ( -0.932 0.582 1.157) 1.596 2.344 ( -0.889 -2.492 -1.045) 2.845 2.344 ( -0.889 2.492 -1.045) 2.845 2.451 ( 1.967 -3.108 1.467) 3.960 2.451 ( 1.967 3.108 1.467) 3.960 2.547 ( 6.206 -3.307 1.037) 7.108 2.547 ( 6.206 3.307 1.037) 7.108 2.603 ( 1.047 -2.522 2.877) 3.966 2.603 ( 1.047 2.522 2.877) 3.966 2.660 ( -0.138 -1.831 -0.523) 1.909 2.660 ( -0.138 1.831 -0.523) 1.909 2.724 ( -0.051 -4.595 3.289) 5.650 2.724 ( -0.051 4.595 3.289) 5.650 2.784 ( -1.508 -4.109 0.089) 4.378 2.784 ( -1.508 4.109 0.089) 4.378 2.871 ( 2.377 -0.800 -0.218) 2.518 2.871 ( 2.377 0.800 -0.218) 2.518 2.970 ( -0.655 -1.532 -4.253) 4.568 2.970 ( -0.655 1.532 -4.253) 4.568 3.054 ( 0.371 -2.074 -2.614) 3.357 3.054 ( 0.371 2.074 -2.614) 3.357 3.124 ( -0.682 -2.545 2.021) 3.320 3.124 ( -0.682 2.545 2.021) 3.320 3.164 ( -0.004 -2.237 1.840) 2.897 3.164 ( -0.004 2.237 1.840) 2.897 3.238 ( -0.213 -5.219 -2.525) 5.802 3.238 ( -0.213 5.219 -2.525) 5.802 3.326 ( 0.253 -1.653 0.102) 1.675 3.326 ( 0.253 1.653 0.102) 1.675 3.434 ( -4.787 -1.782 -0.378) 5.121 3.434 ( -4.787 1.782 -0.378) 5.121 3.542 ( -1.542 -4.071 -2.217) 4.885 3.542 ( -1.542 4.071 -2.217) 4.885 3.595 ( 2.873 -1.857 -0.939) 3.547 3.595 ( 2.873 1.857 -0.939) 3.547 3.676 ( 2.537 -1.970 2.570) 4.114 3.676 ( 2.537 1.970 2.570) 4.114 3.900 ( -1.208 -1.973 0.298) 2.333 3.900 ( -1.208 1.973 0.298) 2.333 4.027 ( -0.150 -1.140 -1.027) 1.542 4.027 ( -0.150 1.140 -1.027) 1.542 4.074 ( 0.031 -2.325 0.741) 2.440 4.074 ( 0.031 2.325 0.741) 2.440 4.184 ( 1.708 -1.480 1.121) 2.523 4.184 ( 1.708 1.480 1.121) 2.523 4.523 ( -1.539 -0.796 0.413) 1.781 4.523 ( -1.539 0.796 0.413) 1.781 4.594 ( 0.835 -2.291 1.163) 2.701 4.594 ( 0.835 2.291 1.163) 2.701 4.969 ( 0.286 -0.793 0.543) 1.003 4.969 ( 0.286 0.793 0.543) 1.003 5.071 ( -2.042 -2.007 -0.834) 2.983 5.071 ( -2.042 2.007 -0.834) 2.983 5.227 ( 0.491 -3.188 -0.059) 3.226 5.227 ( 0.491 3.188 -0.059) 3.226 5.419 ( -0.113 -1.218 0.483) 1.315 5.419 ( -0.113 1.218 0.483) 1.315 5.779 ( -0.134 -1.025 -0.345) 1.089 5.779 ( -0.134 1.025 -0.345) 1.089 6.008 ( -2.272 -1.811 -3.458) 4.517 6.008 ( -2.272 1.811 -3.458) 4.517 6.689 ( 0.241 -1.839 -1.323) 2.279 6.689 ( 0.241 1.839 -1.323) 2.279 6.975 ( -0.613 -1.719 2.316) 2.948 6.975 ( -0.613 1.719 2.316) 2.948 7.463 ( 0.124 -0.999 0.407) 1.086 7.463 ( 0.124 0.999 0.407) 1.086 7.578 ( 2.361 -2.478 1.060) 3.583 7.578 ( 2.361 2.478 1.060) 3.583 8.318 ( -0.855 -1.952 -0.008) 2.131 8.318 ( -0.855 1.952 -0.008) 2.131 8.372 ( 0.249 -2.266 0.763) 2.404 8.372 ( 0.249 2.266 0.763) 2.404 8.461 ( -0.995 -1.865 1.099) 2.383 8.461 ( -0.995 1.865 1.099) 2.383 8.561 ( 0.342 -0.428 -0.579) 0.797 8.561 ( 0.342 0.428 -0.579) 0.797 9.242 ( -0.561 -0.645 -1.433) 1.669 9.242 ( -0.561 0.645 -1.433) 1.669 9.365 ( -0.072 -0.093 0.989) 0.996 9.365 ( -0.072 0.093 0.989) 0.996 ======================= Grid point 151 (76/78) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 7.832 -9.595 0.249) 12.388 0.883 ( 7.832 9.595 0.249) 12.388 1.105 ( 6.384 -8.482 -6.979) 12.704 1.105 ( 6.384 8.482 -6.979) 12.704 1.268 ( -2.890 -3.164 3.429) 5.489 1.268 ( -2.890 3.164 3.429) 5.489 1.367 ( 0.270 -2.593 0.430) 2.642 1.367 ( 0.270 2.593 0.430) 2.642 1.536 ( 1.289 -2.381 0.186) 2.714 1.536 ( 1.289 2.381 0.186) 2.714 1.673 ( -1.133 -3.639 2.159) 4.380 1.673 ( -1.133 3.639 2.159) 4.380 1.754 ( 0.934 -3.049 -1.095) 3.371 1.754 ( 0.934 3.049 -1.095) 3.371 1.817 ( 0.878 -2.056 -2.180) 3.123 1.817 ( 0.878 2.056 -2.180) 3.123 1.894 ( -0.619 -2.463 -2.835) 3.806 1.894 ( -0.619 2.463 -2.835) 3.806 1.977 ( -3.062 -3.587 -2.845) 5.508 1.977 ( -3.062 3.587 -2.845) 5.508 2.001 ( -1.362 -2.213 -2.170) 3.385 2.001 ( -1.362 2.213 -2.170) 3.385 2.124 ( -3.831 -2.070 4.416) 6.202 2.124 ( -3.831 2.070 4.416) 6.202 2.161 ( -0.331 -2.551 -0.177) 2.578 2.161 ( -0.331 2.551 -0.177) 2.578 2.297 ( -1.768 -5.207 -0.295) 5.506 2.297 ( -1.768 5.207 -0.295) 5.506 2.356 ( 3.535 -3.759 2.286) 5.644 2.356 ( 3.535 3.759 2.286) 5.644 2.492 ( 0.348 -2.149 1.641) 2.726 2.492 ( 0.348 2.149 1.641) 2.726 2.573 ( -2.032 -0.909 -2.933) 3.683 2.573 ( -2.032 0.909 -2.933) 3.683 2.624 ( -2.188 -3.590 -0.501) 4.234 2.624 ( -2.188 3.590 -0.501) 4.234 2.671 ( 3.150 -1.352 -1.216) 3.637 2.671 ( 3.150 1.352 -1.216) 3.637 2.724 ( -1.101 -2.757 -1.294) 3.238 2.724 ( -1.101 2.757 -1.294) 3.238 2.798 ( 0.183 -2.983 3.574) 4.659 2.798 ( 0.183 2.983 3.574) 4.659 2.879 ( -0.147 -2.113 -2.214) 3.064 2.879 ( -0.147 2.113 -2.214) 3.064 2.923 ( 1.588 -0.873 -1.506) 2.356 2.923 ( 1.588 0.873 -1.506) 2.356 3.053 ( 1.226 -2.263 -0.937) 2.739 3.053 ( 1.226 2.263 -0.937) 2.739 3.125 ( -0.106 -1.447 0.502) 1.535 3.125 ( -0.106 1.447 0.502) 1.535 3.194 ( 1.022 -2.420 -0.557) 2.686 3.194 ( 1.022 2.420 -0.557) 2.686 3.233 ( 2.263 -2.821 -0.284) 3.627 3.233 ( 2.263 2.821 -0.284) 3.627 3.323 ( -0.425 -0.428 0.479) 0.770 3.323 ( -0.425 0.428 0.479) 0.770 3.381 ( -4.038 -1.841 2.426) 5.057 3.381 ( -4.038 1.841 2.426) 5.057 3.481 ( -0.975 -3.128 -2.276) 3.990 3.481 ( -0.975 3.128 -2.276) 3.990 3.618 ( 1.891 -0.874 -0.637) 2.178 3.618 ( 1.891 0.874 -0.637) 2.178 3.748 ( 2.257 -4.713 2.137) 5.645 3.748 ( 2.257 4.713 2.137) 5.645 3.892 ( -0.313 -4.046 -0.240) 4.065 3.892 ( -0.313 4.046 -0.240) 4.065 4.002 ( -1.317 -0.442 0.277) 1.416 4.002 ( -1.317 0.442 0.277) 1.416 4.098 ( 1.306 -1.641 0.459) 2.147 4.098 ( 1.306 1.641 0.459) 2.147 4.212 ( 0.357 -2.250 0.268) 2.294 4.212 ( 0.357 2.250 0.268) 2.294 4.517 ( -0.902 -0.303 1.503) 1.779 4.517 ( -0.902 0.303 1.503) 1.779 4.614 ( 0.179 -2.333 0.745) 2.455 4.614 ( 0.179 2.333 0.745) 2.455 4.982 ( 0.024 -1.654 0.753) 1.818 4.982 ( 0.024 1.654 0.753) 1.818 5.040 ( -0.952 -2.291 0.250) 2.494 5.040 ( -0.952 2.291 0.250) 2.494 5.228 ( 0.112 -3.142 -0.684) 3.218 5.228 ( 0.112 3.142 -0.684) 3.218 5.413 ( -1.231 -1.166 -0.173) 1.705 5.413 ( -1.231 1.166 -0.173) 1.705 5.766 ( -0.237 -1.823 -1.418) 2.322 5.766 ( -0.237 1.823 -1.418) 2.322 5.923 ( -1.795 -1.423 -3.870) 4.498 5.923 ( -1.795 1.423 -3.870) 4.498 6.671 ( -0.122 -2.642 -1.534) 3.057 6.671 ( -0.122 2.642 -1.534) 3.057 7.000 ( -0.726 -2.238 2.800) 3.657 7.000 ( -0.726 2.238 2.800) 3.657 7.479 ( 0.773 -1.041 0.942) 1.603 7.479 ( 0.773 1.041 0.942) 1.603 7.631 ( 2.330 -3.779 1.157) 4.588 7.631 ( 2.330 3.779 1.157) 4.588 8.309 ( -0.480 -2.090 0.286) 2.163 8.309 ( -0.480 2.090 0.286) 2.163 8.383 ( -0.435 -2.175 1.121) 2.486 8.383 ( -0.435 2.175 1.121) 2.486 8.453 ( -1.633 -2.704 0.590) 3.214 8.453 ( -1.633 2.704 0.590) 3.214 8.555 ( 0.191 -0.564 -0.842) 1.032 8.555 ( 0.191 0.564 -0.842) 1.032 9.216 ( -0.365 -0.804 -1.279) 1.554 9.216 ( -0.365 0.804 -1.279) 1.554 9.374 ( -0.289 -0.145 0.861) 0.920 9.374 ( -0.289 0.145 0.861) 0.920 ======================= Grid point 153 (77/78) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 10.562 -2.009 1.394) 10.841 1.062 ( 10.562 2.009 1.394) 10.841 1.148 ( 5.434 -3.328 0.779) 6.420 1.148 ( 5.434 3.328 0.779) 6.420 1.274 ( -0.132 -5.543 0.806) 5.603 1.274 ( -0.132 5.543 0.806) 5.603 1.403 ( 0.258 -3.016 4.215) 5.189 1.403 ( 0.258 3.016 4.215) 5.189 1.584 ( -1.331 -2.913 1.889) 3.718 1.584 ( -1.331 2.913 1.889) 3.718 1.627 ( 0.196 -3.531 -0.506) 3.573 1.627 ( 0.196 3.531 -0.506) 3.573 1.749 ( -1.325 -2.662 -2.762) 4.058 1.749 ( -1.325 2.662 -2.762) 4.058 1.792 ( 3.845 -3.685 -3.744) 6.510 1.792 ( 3.845 3.685 -3.744) 6.510 1.869 ( -2.761 -3.093 -2.359) 4.771 1.869 ( -2.761 3.093 -2.359) 4.771 1.901 ( -0.028 -0.363 -0.869) 0.943 1.901 ( -0.028 0.363 -0.869) 0.943 1.978 ( -1.865 -1.241 0.765) 2.367 1.978 ( -1.865 1.241 0.765) 2.367 2.105 ( -0.632 -0.967 -0.636) 1.319 2.105 ( -0.632 0.967 -0.636) 1.319 2.165 ( -0.862 -4.802 2.418) 5.445 2.165 ( -0.862 4.802 2.418) 5.445 2.282 ( -1.842 -5.347 1.617) 5.882 2.282 ( -1.842 5.347 1.617) 5.882 2.366 ( -3.226 -2.004 -4.296) 5.734 2.366 ( -3.226 2.004 -4.296) 5.734 2.485 ( -0.747 -3.851 -0.608) 3.970 2.485 ( -0.747 3.851 -0.608) 3.970 2.515 ( -1.803 -3.393 -0.393) 3.862 2.515 ( -1.803 3.393 -0.393) 3.862 2.552 ( -1.163 -1.039 -0.841) 1.772 2.552 ( -1.163 1.039 -0.841) 1.772 2.660 ( -0.647 -0.412 -3.021) 3.117 2.660 ( -0.647 0.412 -3.021) 3.117 2.748 ( 2.318 -0.955 1.442) 2.893 2.748 ( 2.318 0.955 1.442) 2.893 2.819 ( -0.487 -0.524 0.375) 0.808 2.819 ( -0.487 0.524 0.375) 0.808 2.878 ( 0.673 -1.586 1.107) 2.048 2.878 ( 0.673 1.586 1.107) 2.048 2.918 ( 0.584 -1.311 -2.785) 3.133 2.918 ( 0.584 1.311 -2.785) 3.133 3.038 ( -0.979 -2.141 -0.283) 2.371 3.038 ( -0.979 2.141 -0.283) 2.371 3.136 ( 0.734 -1.652 -0.773) 1.966 3.136 ( 0.734 1.652 -0.773) 1.966 3.210 ( 1.955 -1.186 0.252) 2.300 3.210 ( 1.955 1.186 0.252) 2.300 3.248 ( 1.396 -1.546 -1.997) 2.886 3.248 ( 1.396 1.546 -1.997) 2.886 3.308 ( -1.984 -1.176 -0.357) 2.334 3.308 ( -1.984 1.176 -0.357) 2.334 3.385 ( -1.109 -2.769 3.781) 4.816 3.385 ( -1.109 2.769 3.781) 4.816 3.503 ( 2.772 -1.188 2.465) 3.895 3.503 ( 2.772 1.188 2.465) 3.895 3.633 ( 1.154 -1.517 -0.734) 2.042 3.633 ( 1.154 1.517 -0.734) 2.042 3.781 ( -0.422 -6.568 0.782) 6.627 3.781 ( -0.422 6.568 0.782) 6.627 3.874 ( -0.438 -3.895 -1.457) 4.182 3.874 ( -0.438 3.895 -1.457) 4.182 4.013 ( -0.022 -2.287 2.523) 3.405 4.013 ( -0.022 2.287 2.523) 3.405 4.120 ( 1.767 -0.460 -0.301) 1.851 4.120 ( 1.767 0.460 -0.301) 1.851 4.197 ( -1.623 -2.645 -0.936) 3.241 4.197 ( -1.623 2.645 -0.936) 3.241 4.529 ( -0.234 -0.776 1.348) 1.573 4.529 ( -0.234 0.776 1.348) 1.573 4.620 ( -0.117 -1.684 0.244) 1.705 4.620 ( -0.117 1.684 0.244) 1.705 4.984 ( -0.202 -0.770 0.073) 0.799 4.984 ( -0.202 0.770 0.073) 0.799 5.059 ( 0.666 -1.585 2.589) 3.108 5.059 ( 0.666 1.585 2.589) 3.108 5.209 ( -0.375 -1.936 -2.157) 2.922 5.209 ( -0.375 1.936 -2.157) 2.922 5.382 ( -1.681 -0.389 -0.650) 1.844 5.382 ( -1.681 0.389 -0.650) 1.844 5.744 ( 0.308 -1.434 -1.677) 2.228 5.744 ( 0.308 1.434 -1.677) 2.228 5.871 ( -0.572 -0.276 -1.530) 1.657 5.871 ( -0.572 0.276 -1.530) 1.657 6.651 ( -0.306 -1.880 -0.964) 2.135 6.651 ( -0.306 1.880 -0.964) 2.135 7.020 ( -0.513 -1.510 1.696) 2.328 7.020 ( -0.513 1.510 1.696) 2.328 7.505 ( 0.834 -0.772 0.966) 1.491 7.505 ( 0.834 0.772 0.966) 1.491 7.667 ( 1.029 -3.057 0.431) 3.254 7.667 ( 1.029 3.057 0.431) 3.254 8.310 ( -0.086 -1.438 0.370) 1.487 8.310 ( -0.086 1.438 0.370) 1.487 8.389 ( -0.352 -2.161 0.847) 2.347 8.389 ( -0.352 2.161 0.847) 2.347 8.431 ( -1.564 -2.653 -0.145) 3.083 8.431 ( -1.564 2.653 -0.145) 3.083 8.548 ( 0.171 -0.624 -0.682) 0.940 8.548 ( 0.171 0.624 -0.682) 0.940 9.201 ( -0.070 -0.500 -0.623) 0.802 9.201 ( -0.070 0.500 -0.623) 0.802 9.379 ( -0.181 -0.089 0.490) 0.530 9.379 ( -0.181 0.089 0.490) 0.530 ======================= Grid point 155 (78/78) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 0.000 0.000 -0.000) 0.000 1.144 ( 0.000 0.000 0.000) 0.000 1.218 ( 0.000 -0.000 0.000) 0.000 1.218 ( 0.000 0.000 0.000) 0.000 1.297 ( 0.000 0.000 0.000) 0.000 1.297 ( 0.000 0.000 0.000) 0.000 1.469 ( 0.000 -0.000 -0.000) 0.000 1.469 ( 0.000 0.000 0.000) 0.000 1.499 ( -0.000 -0.000 -0.000) 0.000 1.499 ( 0.000 0.000 0.000) 0.000 1.669 ( 0.000 0.000 0.000) 0.000 1.669 ( 0.000 0.000 0.000) 0.000 1.734 ( -0.000 0.000 -0.000) 0.000 1.734 ( 0.000 0.000 0.000) 0.000 1.778 ( -0.000 -0.000 -0.000) 0.000 1.778 ( 0.000 0.000 0.000) 0.000 1.875 ( 0.000 0.000 -0.000) 0.000 1.875 ( 0.000 0.000 0.000) 0.000 1.895 ( -0.000 -0.000 -0.000) 0.000 1.895 ( -0.000 0.000 0.000) 0.000 1.924 ( 0.000 -0.000 0.000) 0.000 1.924 ( -0.000 0.000 0.000) 0.000 2.103 ( 0.000 0.000 -0.000) 0.000 2.103 ( 0.000 0.000 0.000) 0.000 2.173 ( 0.000 -0.000 -0.000) 0.000 2.173 ( 0.000 0.000 0.000) 0.000 2.280 ( 0.000 -0.000 -0.000) 0.000 2.280 ( -0.000 0.000 0.000) 0.000 2.293 ( -0.000 0.000 0.000) 0.000 2.293 ( 0.000 -0.000 0.000) 0.000 2.451 ( -0.000 -0.000 -0.000) 0.000 2.451 ( 0.000 0.000 0.000) 0.000 2.520 ( 0.000 0.000 0.000) 0.000 2.520 ( 0.000 0.000 0.000) 0.000 2.548 ( 0.000 0.000 -0.000) 0.000 2.548 ( 0.000 0.000 -0.000) 0.000 2.625 ( -0.000 0.000 0.000) 0.000 2.625 ( 0.000 0.000 0.000) 0.000 2.782 ( -0.000 0.000 -0.000) 0.000 2.782 ( 0.000 0.000 0.000) 0.000 2.817 ( 0.000 0.000 -0.000) 0.000 2.817 ( 0.000 0.000 0.000) 0.000 2.888 ( 0.000 -0.000 -0.000) 0.000 2.888 ( -0.000 0.000 0.000) 0.000 2.899 ( 0.000 0.000 -0.000) 0.000 2.899 ( -0.000 0.000 -0.000) 0.000 3.031 ( 0.000 0.000 -0.000) 0.000 3.031 ( 0.000 0.000 -0.000) 0.000 3.135 ( 0.000 0.000 -0.000) 0.000 3.135 ( 0.000 0.000 0.000) 0.000 3.225 ( 0.000 -0.000 0.000) 0.000 3.225 ( 0.000 0.000 -0.000) 0.000 3.247 ( 0.000 -0.000 -0.000) 0.000 3.247 ( 0.000 0.000 0.000) 0.000 3.287 ( 0.000 0.000 -0.000) 0.000 3.287 ( 0.000 0.000 0.000) 0.000 3.405 ( 0.000 0.000 -0.000) 0.000 3.405 ( 0.000 0.000 -0.000) 0.000 3.557 ( 0.000 0.000 0.000) 0.000 3.557 ( 0.000 0.000 -0.000) 0.000 3.634 ( 0.000 -0.000 0.000) 0.000 3.634 ( 0.000 0.000 -0.000) 0.000 3.773 ( 0.000 0.000 -0.000) 0.000 3.773 ( 0.000 0.000 0.000) 0.000 3.860 ( 0.000 -0.000 -0.000) 0.000 3.860 ( 0.000 0.000 0.000) 0.000 4.036 ( 0.000 0.000 -0.000) 0.000 4.036 ( 0.000 0.000 0.000) 0.000 4.149 ( -0.000 0.000 -0.000) 0.000 4.149 ( 0.000 0.000 0.000) 0.000 4.156 ( -0.000 -0.000 -0.000) 0.000 4.156 ( 0.000 0.000 0.000) 0.000 4.537 ( 0.000 0.000 -0.000) 0.000 4.537 ( 0.000 0.000 0.000) 0.000 4.621 ( 0.000 0.000 -0.000) 0.000 4.621 ( 0.000 0.000 0.000) 0.000 4.983 ( 0.000 0.000 0.000) 0.000 4.983 ( 0.000 0.000 -0.000) 0.000 5.094 ( 0.000 0.000 -0.000) 0.000 5.094 ( 0.000 0.000 0.000) 0.000 5.179 ( 0.000 0.000 -0.000) 0.000 5.179 ( 0.000 0.000 -0.000) 0.000 5.363 ( 0.000 0.000 0.000) 0.000 5.363 ( 0.000 0.000 -0.000) 0.000 5.736 ( 0.000 0.000 -0.000) 0.000 5.736 ( 0.000 0.000 -0.000) 0.000 5.859 ( 0.000 0.000 -0.000) 0.000 5.859 ( 0.000 0.000 -0.000) 0.000 6.642 ( 0.000 0.000 -0.000) 0.000 6.642 ( 0.000 0.000 0.000) 0.000 7.027 ( 0.000 0.000 -0.000) 0.000 7.027 ( 0.000 0.000 -0.000) 0.000 7.519 ( 0.000 0.000 -0.000) 0.000 7.519 ( 0.000 0.000 -0.000) 0.000 7.676 ( 0.000 0.000 -0.000) 0.000 7.676 ( 0.000 0.000 -0.000) 0.000 8.312 ( 0.000 0.000 0.000) 0.000 8.312 ( 0.000 0.000 0.000) 0.000 8.395 ( 0.000 0.000 0.000) 0.000 8.395 ( 0.000 0.000 0.000) 0.000 8.412 ( -0.000 -0.000 -0.000) 0.000 8.412 ( 0.000 0.000 0.000) 0.000 8.545 ( 0.000 0.000 -0.000) 0.000 8.545 ( 0.000 0.000 0.000) 0.000 9.196 ( 0.000 0.000 -0.000) 0.000 9.196 ( 0.000 0.000 0.000) 0.000 9.381 ( 0.000 0.000 0.000) 0.000 9.381 ( 0.000 0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/20736 10.0 83.866 44.936 68.748 0.000 -3.656 0.000 3/20736 20.0 13.743 8.323 11.375 0.000 -0.722 0.000 3/20736 30.0 5.952 3.799 5.000 0.000 -0.290 0.000 3/20736 40.0 3.663 2.409 3.119 0.000 -0.168 0.000 3/20736 50.0 2.645 1.773 2.277 0.000 -0.118 0.000 3/20736 60.0 2.079 1.412 1.806 0.000 -0.093 0.000 3/20736 70.0 1.720 1.179 1.504 0.000 -0.078 0.000 3/20736 80.0 1.471 1.015 1.294 0.000 -0.068 0.000 3/20736 90.0 1.288 0.894 1.138 0.000 -0.061 0.000 3/20736 100.0 1.147 0.799 1.018 0.000 -0.055 0.000 3/20736 110.0 1.035 0.724 0.921 0.000 -0.050 0.000 3/20736 120.0 0.944 0.662 0.842 0.000 -0.046 0.000 3/20736 130.0 0.868 0.610 0.776 0.000 -0.043 0.000 3/20736 140.0 0.803 0.566 0.720 0.000 -0.040 0.000 3/20736 150.0 0.748 0.528 0.671 0.000 -0.038 0.000 3/20736 160.0 0.700 0.495 0.629 0.000 -0.036 0.000 3/20736 170.0 0.658 0.465 0.592 0.000 -0.034 0.000 3/20736 180.0 0.621 0.440 0.559 0.000 -0.032 0.000 3/20736 190.0 0.588 0.417 0.530 0.000 -0.030 0.000 3/20736 200.0 0.558 0.396 0.503 0.000 -0.029 0.000 3/20736 210.0 0.531 0.377 0.479 0.000 -0.028 0.000 3/20736 220.0 0.507 0.360 0.458 0.000 -0.026 0.000 3/20736 230.0 0.485 0.345 0.438 0.000 -0.025 0.000 3/20736 240.0 0.464 0.330 0.420 0.000 -0.024 0.000 3/20736 250.0 0.446 0.317 0.403 0.000 -0.023 0.000 3/20736 260.0 0.428 0.305 0.388 0.000 -0.023 0.000 3/20736 270.0 0.413 0.294 0.373 0.000 -0.022 0.000 3/20736 280.0 0.398 0.284 0.360 0.000 -0.021 0.000 3/20736 290.0 0.384 0.274 0.348 0.000 -0.020 0.000 3/20736 300.0 0.371 0.265 0.336 0.000 -0.020 0.000 3/20736 310.0 0.359 0.257 0.326 0.000 -0.019 0.000 3/20736 320.0 0.348 0.249 0.316 0.000 -0.018 0.000 3/20736 330.0 0.338 0.241 0.306 0.000 -0.018 0.000 3/20736 340.0 0.328 0.234 0.297 0.000 -0.017 0.000 3/20736 350.0 0.318 0.228 0.289 0.000 -0.017 0.000 3/20736 360.0 0.309 0.221 0.281 0.000 -0.016 0.000 3/20736 370.0 0.301 0.216 0.273 0.000 -0.016 0.000 3/20736 380.0 0.293 0.210 0.266 0.000 -0.016 0.000 3/20736 390.0 0.286 0.205 0.259 0.000 -0.015 0.000 3/20736 400.0 0.279 0.200 0.253 0.000 -0.015 0.000 3/20736 410.0 0.272 0.195 0.247 0.000 -0.015 0.000 3/20736 420.0 0.265 0.190 0.241 0.000 -0.014 0.000 3/20736 430.0 0.259 0.186 0.235 0.000 -0.014 0.000 3/20736 440.0 0.253 0.182 0.230 0.000 -0.014 0.000 3/20736 450.0 0.248 0.178 0.225 0.000 -0.013 0.000 3/20736 460.0 0.242 0.174 0.220 0.000 -0.013 0.000 3/20736 470.0 0.237 0.170 0.216 0.000 -0.013 0.000 3/20736 480.0 0.232 0.167 0.211 0.000 -0.012 0.000 3/20736 490.0 0.228 0.163 0.207 0.000 -0.012 0.000 3/20736 500.0 0.223 0.160 0.203 0.000 -0.012 0.000 3/20736 510.0 0.219 0.157 0.199 0.000 -0.012 0.000 3/20736 520.0 0.215 0.154 0.195 0.000 -0.012 0.000 3/20736 530.0 0.210 0.151 0.191 0.000 -0.011 0.000 3/20736 540.0 0.207 0.148 0.188 0.000 -0.011 0.000 3/20736 550.0 0.203 0.146 0.184 0.000 -0.011 0.000 3/20736 560.0 0.199 0.143 0.181 0.000 -0.011 0.000 3/20736 570.0 0.196 0.141 0.178 0.000 -0.011 0.000 3/20736 580.0 0.192 0.138 0.175 0.000 -0.010 0.000 3/20736 590.0 0.189 0.136 0.172 0.000 -0.010 0.000 3/20736 600.0 0.186 0.134 0.169 0.000 -0.010 0.000 3/20736 610.0 0.183 0.132 0.166 0.000 -0.010 0.000 3/20736 620.0 0.180 0.129 0.164 0.000 -0.010 0.000 3/20736 630.0 0.177 0.127 0.161 0.000 -0.010 0.000 3/20736 640.0 0.174 0.125 0.159 0.000 -0.009 0.000 3/20736 650.0 0.172 0.124 0.156 0.000 -0.009 0.000 3/20736 660.0 0.169 0.122 0.154 0.000 -0.009 0.000 3/20736 670.0 0.167 0.120 0.152 0.000 -0.009 0.000 3/20736 680.0 0.164 0.118 0.149 0.000 -0.009 0.000 3/20736 690.0 0.162 0.116 0.147 0.000 -0.009 0.000 3/20736 700.0 0.160 0.115 0.145 0.000 -0.009 0.000 3/20736 710.0 0.157 0.113 0.143 0.000 -0.008 0.000 3/20736 720.0 0.155 0.112 0.141 0.000 -0.008 0.000 3/20736 730.0 0.153 0.110 0.139 0.000 -0.008 0.000 3/20736 740.0 0.151 0.109 0.137 0.000 -0.008 0.000 3/20736 750.0 0.149 0.107 0.136 0.000 -0.008 0.000 3/20736 760.0 0.147 0.106 0.134 0.000 -0.008 0.000 3/20736 770.0 0.145 0.105 0.132 0.000 -0.008 0.000 3/20736 780.0 0.143 0.103 0.130 0.000 -0.008 0.000 3/20736 790.0 0.141 0.102 0.129 0.000 -0.008 0.000 3/20736 800.0 0.140 0.101 0.127 0.000 -0.008 0.000 3/20736 810.0 0.138 0.099 0.126 0.000 -0.007 0.000 3/20736 820.0 0.136 0.098 0.124 0.000 -0.007 0.000 3/20736 830.0 0.135 0.097 0.123 0.000 -0.007 0.000 3/20736 840.0 0.133 0.096 0.121 0.000 -0.007 0.000 3/20736 850.0 0.131 0.095 0.120 0.000 -0.007 0.000 3/20736 860.0 0.130 0.094 0.118 0.000 -0.007 0.000 3/20736 870.0 0.128 0.093 0.117 0.000 -0.007 0.000 3/20736 880.0 0.127 0.092 0.116 0.000 -0.007 0.000 3/20736 890.0 0.126 0.091 0.114 0.000 -0.007 0.000 3/20736 900.0 0.124 0.090 0.113 0.000 -0.007 0.000 3/20736 910.0 0.123 0.089 0.112 0.000 -0.007 0.000 3/20736 920.0 0.122 0.088 0.111 0.000 -0.007 0.000 3/20736 930.0 0.120 0.087 0.109 0.000 -0.006 0.000 3/20736 940.0 0.119 0.086 0.108 0.000 -0.006 0.000 3/20736 950.0 0.118 0.085 0.107 0.000 -0.006 0.000 3/20736 960.0 0.116 0.084 0.106 0.000 -0.006 0.000 3/20736 970.0 0.115 0.083 0.105 0.000 -0.006 0.000 3/20736 980.0 0.114 0.082 0.104 0.000 -0.006 0.000 3/20736 990.0 0.113 0.081 0.103 0.000 -0.006 0.000 3/20736 1000.0 0.112 0.081 0.102 0.000 -0.006 0.000 3/20736 Thermal conductivity related properties were written into "kappa-m846.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:27:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|