----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:10:03]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.228931440000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.999922300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.858164769999998 Atomic positions (fractional): *1 Ho 0.52061754026914 0.39673925049810 0.03631224087561 164.930 *2 Ho 0.54020124596801 0.28244252031817 0.63309856048751 164.930 3 Ho 0.95979875403199 0.71755747968184 0.13309856048751 164.930 4 Ho 0.97938245973086 0.60326074950190 0.53631224087561 164.930 5 Ho 0.02061754026914 0.10326074950190 0.96368775912439 164.930 6 Ho 0.04020124596801 0.21755747968184 0.36690143951249 164.930 7 Ho 0.45979875403199 0.78244252031816 0.86690143951249 164.930 8 Ho 0.47938245973086 0.89673925049810 0.46368775912439 164.930 *9 Te 0.53963378183481 0.00533579999752 0.14924666088979 127.600 10 Te 0.96036621816519 0.99466420000248 0.64924666088979 127.600 11 Te 0.03963378183481 0.49466420000248 0.85075333911021 127.600 12 Te 0.46036621816519 0.50533579999752 0.35075333911021 127.600 *13 O 0.58464015702958 0.65610238352813 0.47287418806937 15.999 *14 O 0.66962811023941 0.55157258080956 0.19832151489700 15.999 *15 O 0.68834923745545 0.85735627511190 0.26424543392965 15.999 *16 O 0.67656227884498 0.85851858674551 0.67932078935346 15.999 *17 O 0.73453977537185 0.38584477225837 0.43154727215708 15.999 *18 O 0.75381925972538 0.08765660358087 0.50538098799992 15.999 19 O 0.74618074027462 0.91234339641913 0.00538098799992 15.999 20 O 0.76546022462815 0.61415522774163 0.93154727215708 15.999 21 O 0.82343772115502 0.14148141325449 0.17932078935346 15.999 22 O 0.81165076254455 0.14264372488810 0.76424543392965 15.999 23 O 0.83037188976059 0.44842741919044 0.69832151489700 15.999 24 O 0.91535984297042 0.34389761647187 0.97287418806937 15.999 25 O 0.08464015702958 0.84389761647187 0.52712581193063 15.999 26 O 0.16962811023941 0.94842741919044 0.80167848510300 15.999 27 O 0.18834923745545 0.64264372488810 0.73575456607035 15.999 28 O 0.17656227884498 0.64148141325449 0.32067921064654 15.999 29 O 0.23453977537185 0.11415522774163 0.56845272784292 15.999 30 O 0.25381925972538 0.41234339641913 0.49461901200008 15.999 31 O 0.24618074027462 0.58765660358087 0.99461901200008 15.999 32 O 0.26546022462815 0.88584477225837 0.06845272784292 15.999 33 O 0.32343772115502 0.35851858674551 0.82067921064654 15.999 34 O 0.31165076254455 0.35735627511190 0.23575456607035 15.999 35 O 0.33037188976059 0.05157258080956 0.30167848510300 15.999 36 O 0.41535984297042 0.15610238352813 0.02712581193063 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.228931440000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.999922300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.858164769999998 Atomic positions (fractional): *1 Ho 0.52061754026914 0.39673925049810 0.03631224087561 164.930 > 1 *2 Ho 0.54020124596801 0.28244252031817 0.63309856048751 164.930 > 2 3 Ho 0.95979875403199 0.71755747968184 0.13309856048751 164.930 > 3 4 Ho 0.97938245973086 0.60326074950190 0.53631224087561 164.930 > 4 5 Ho 0.02061754026914 0.10326074950190 0.96368775912439 164.930 > 5 6 Ho 0.04020124596801 0.21755747968184 0.36690143951249 164.930 > 6 7 Ho 0.45979875403199 0.78244252031816 0.86690143951249 164.930 > 7 8 Ho 0.47938245973086 0.89673925049810 0.46368775912439 164.930 > 8 *9 Te 0.53963378183481 0.00533579999752 0.14924666088979 127.600 > 9 10 Te 0.96036621816519 0.99466420000248 0.64924666088979 127.600 > 10 11 Te 0.03963378183481 0.49466420000248 0.85075333911021 127.600 > 11 12 Te 0.46036621816519 0.50533579999752 0.35075333911021 127.600 > 12 *13 O 0.58464015702958 0.65610238352813 0.47287418806937 15.999 > 13 *14 O 0.66962811023941 0.55157258080956 0.19832151489700 15.999 > 14 *15 O 0.68834923745545 0.85735627511190 0.26424543392965 15.999 > 15 *16 O 0.67656227884498 0.85851858674551 0.67932078935346 15.999 > 16 *17 O 0.73453977537185 0.38584477225837 0.43154727215708 15.999 > 17 *18 O 0.75381925972538 0.08765660358087 0.50538098799992 15.999 > 18 19 O 0.74618074027462 0.91234339641913 0.00538098799992 15.999 > 19 20 O 0.76546022462815 0.61415522774163 0.93154727215708 15.999 > 20 21 O 0.82343772115502 0.14148141325449 0.17932078935346 15.999 > 21 22 O 0.81165076254455 0.14264372488810 0.76424543392965 15.999 > 22 23 O 0.83037188976059 0.44842741919044 0.69832151489700 15.999 > 23 24 O 0.91535984297042 0.34389761647187 0.97287418806937 15.999 > 24 25 O 0.08464015702958 0.84389761647187 0.52712581193063 15.999 > 25 26 O 0.16962811023941 0.94842741919044 0.80167848510300 15.999 > 26 27 O 0.18834923745545 0.64264372488810 0.73575456607035 15.999 > 27 28 O 0.17656227884498 0.64148141325449 0.32067921064654 15.999 > 28 29 O 0.23453977537185 0.11415522774163 0.56845272784292 15.999 > 29 30 O 0.25381925972538 0.41234339641913 0.49461901200008 15.999 > 30 31 O 0.24618074027462 0.58765660358087 0.99461901200008 15.999 > 31 32 O 0.26546022462815 0.88584477225837 0.06845272784292 15.999 > 32 33 O 0.32343772115502 0.35851858674551 0.82067921064654 15.999 > 33 34 O 0.31165076254455 0.35735627511190 0.23575456607035 15.999 > 34 35 O 0.33037188976059 0.05157258080956 0.30167848510300 15.999 > 35 36 O 0.41535984297042 0.15610238352813 0.02712581193063 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.457862880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 17.999844599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.858164769999998 Atomic positions (fractional): *1 Ho 0.26030877013457 0.19836962524905 0.03631224087561 164.930 > 1 2 Ho 0.76030877013457 0.19836962524905 0.03631224087561 164.930 > 1 3 Ho 0.26030877013457 0.69836962524905 0.03631224087561 164.930 > 1 4 Ho 0.76030877013457 0.69836962524905 0.03631224087561 164.930 > 1 *5 Ho 0.27010062298400 0.14122126015908 0.63309856048751 164.930 > 2 6 Ho 0.77010062298400 0.14122126015908 0.63309856048751 164.930 > 2 7 Ho 0.27010062298400 0.64122126015908 0.63309856048751 164.930 > 2 8 Ho 0.77010062298400 0.64122126015908 0.63309856048751 164.930 > 2 9 Ho 0.47989937701600 0.35877873984092 0.13309856048751 164.930 > 3 10 Ho 0.97989937701600 0.35877873984092 0.13309856048751 164.930 > 3 11 Ho 0.47989937701600 0.85877873984092 0.13309856048751 164.930 > 3 12 Ho 0.97989937701600 0.85877873984092 0.13309856048751 164.930 > 3 13 Ho 0.48969122986543 0.30163037475095 0.53631224087561 164.930 > 4 14 Ho 0.98969122986543 0.30163037475095 0.53631224087561 164.930 > 4 15 Ho 0.48969122986543 0.80163037475095 0.53631224087561 164.930 > 4 16 Ho 0.98969122986543 0.80163037475095 0.53631224087561 164.930 > 4 17 Ho 0.01030877013457 0.05163037475095 0.96368775912439 164.930 > 5 18 Ho 0.51030877013457 0.05163037475095 0.96368775912439 164.930 > 5 19 Ho 0.01030877013457 0.55163037475095 0.96368775912439 164.930 > 5 20 Ho 0.51030877013457 0.55163037475095 0.96368775912439 164.930 > 5 21 Ho 0.02010062298400 0.10877873984092 0.36690143951249 164.930 > 6 22 Ho 0.52010062298400 0.10877873984092 0.36690143951249 164.930 > 6 23 Ho 0.02010062298400 0.60877873984092 0.36690143951249 164.930 > 6 24 Ho 0.52010062298400 0.60877873984092 0.36690143951249 164.930 > 6 25 Ho 0.22989937701600 0.39122126015908 0.86690143951249 164.930 > 7 26 Ho 0.72989937701600 0.39122126015908 0.86690143951249 164.930 > 7 27 Ho 0.22989937701600 0.89122126015908 0.86690143951249 164.930 > 7 28 Ho 0.72989937701600 0.89122126015908 0.86690143951249 164.930 > 7 29 Ho 0.23969122986543 0.44836962524905 0.46368775912439 164.930 > 8 30 Ho 0.73969122986543 0.44836962524905 0.46368775912439 164.930 > 8 31 Ho 0.23969122986543 0.94836962524905 0.46368775912439 164.930 > 8 32 Ho 0.73969122986543 0.94836962524905 0.46368775912439 164.930 > 8 *33 Te 0.26981689091741 0.00266789999876 0.14924666088979 127.600 > 9 34 Te 0.76981689091741 0.00266789999876 0.14924666088979 127.600 > 9 35 Te 0.26981689091741 0.50266789999876 0.14924666088979 127.600 > 9 36 Te 0.76981689091741 0.50266789999876 0.14924666088979 127.600 > 9 37 Te 0.48018310908259 0.49733210000124 0.64924666088979 127.600 > 10 38 Te 0.98018310908259 0.49733210000124 0.64924666088979 127.600 > 10 39 Te 0.48018310908259 0.99733210000124 0.64924666088979 127.600 > 10 40 Te 0.98018310908259 0.99733210000124 0.64924666088979 127.600 > 10 41 Te 0.01981689091741 0.24733210000124 0.85075333911021 127.600 > 11 42 Te 0.51981689091741 0.24733210000124 0.85075333911021 127.600 > 11 43 Te 0.01981689091741 0.74733210000124 0.85075333911021 127.600 > 11 44 Te 0.51981689091741 0.74733210000124 0.85075333911021 127.600 > 11 45 Te 0.23018310908259 0.25266789999876 0.35075333911021 127.600 > 12 46 Te 0.73018310908259 0.25266789999876 0.35075333911021 127.600 > 12 47 Te 0.23018310908259 0.75266789999876 0.35075333911021 127.600 > 12 48 Te 0.73018310908259 0.75266789999876 0.35075333911021 127.600 > 12 *49 O 0.29232007851479 0.32805119176407 0.47287418806937 15.999 > 13 50 O 0.79232007851479 0.32805119176407 0.47287418806937 15.999 > 13 51 O 0.29232007851479 0.82805119176407 0.47287418806937 15.999 > 13 52 O 0.79232007851479 0.82805119176407 0.47287418806937 15.999 > 13 *53 O 0.33481405511971 0.27578629040478 0.19832151489700 15.999 > 14 54 O 0.83481405511971 0.27578629040478 0.19832151489700 15.999 > 14 55 O 0.33481405511971 0.77578629040478 0.19832151489700 15.999 > 14 56 O 0.83481405511971 0.77578629040478 0.19832151489700 15.999 > 14 *57 O 0.34417461872773 0.42867813755595 0.26424543392965 15.999 > 15 58 O 0.84417461872773 0.42867813755595 0.26424543392965 15.999 > 15 59 O 0.34417461872773 0.92867813755595 0.26424543392965 15.999 > 15 60 O 0.84417461872773 0.92867813755595 0.26424543392965 15.999 > 15 *61 O 0.33828113942249 0.42925929337276 0.67932078935346 15.999 > 16 62 O 0.83828113942249 0.42925929337276 0.67932078935346 15.999 > 16 63 O 0.33828113942249 0.92925929337276 0.67932078935346 15.999 > 16 64 O 0.83828113942249 0.92925929337276 0.67932078935346 15.999 > 16 *65 O 0.36726988768593 0.19292238612918 0.43154727215708 15.999 > 17 66 O 0.86726988768593 0.19292238612918 0.43154727215708 15.999 > 17 67 O 0.36726988768593 0.69292238612918 0.43154727215708 15.999 > 17 68 O 0.86726988768593 0.69292238612918 0.43154727215708 15.999 > 17 *69 O 0.37690962986269 0.04382830179043 0.50538098799992 15.999 > 18 70 O 0.87690962986269 0.04382830179043 0.50538098799992 15.999 > 18 71 O 0.37690962986269 0.54382830179043 0.50538098799992 15.999 > 18 72 O 0.87690962986269 0.54382830179043 0.50538098799992 15.999 > 18 73 O 0.37309037013731 0.45617169820957 0.00538098799992 15.999 > 19 74 O 0.87309037013731 0.45617169820957 0.00538098799992 15.999 > 19 75 O 0.37309037013731 0.95617169820957 0.00538098799992 15.999 > 19 76 O 0.87309037013731 0.95617169820957 0.00538098799992 15.999 > 19 77 O 0.38273011231407 0.30707761387082 0.93154727215708 15.999 > 20 78 O 0.88273011231407 0.30707761387082 0.93154727215708 15.999 > 20 79 O 0.38273011231407 0.80707761387082 0.93154727215708 15.999 > 20 80 O 0.88273011231407 0.80707761387082 0.93154727215708 15.999 > 20 81 O 0.41171886057751 0.07074070662724 0.17932078935346 15.999 > 21 82 O 0.91171886057751 0.07074070662724 0.17932078935346 15.999 > 21 83 O 0.41171886057751 0.57074070662724 0.17932078935346 15.999 > 21 84 O 0.91171886057751 0.57074070662724 0.17932078935346 15.999 > 21 85 O 0.40582538127227 0.07132186244405 0.76424543392965 15.999 > 22 86 O 0.90582538127227 0.07132186244405 0.76424543392965 15.999 > 22 87 O 0.40582538127227 0.57132186244405 0.76424543392965 15.999 > 22 88 O 0.90582538127227 0.57132186244405 0.76424543392965 15.999 > 22 89 O 0.41518594488029 0.22421370959522 0.69832151489700 15.999 > 23 90 O 0.91518594488029 0.22421370959522 0.69832151489700 15.999 > 23 91 O 0.41518594488029 0.72421370959522 0.69832151489700 15.999 > 23 92 O 0.91518594488029 0.72421370959522 0.69832151489700 15.999 > 23 93 O 0.45767992148521 0.17194880823593 0.97287418806937 15.999 > 24 94 O 0.95767992148521 0.17194880823593 0.97287418806937 15.999 > 24 95 O 0.45767992148521 0.67194880823593 0.97287418806937 15.999 > 24 96 O 0.95767992148521 0.67194880823593 0.97287418806937 15.999 > 24 97 O 0.04232007851479 0.42194880823593 0.52712581193063 15.999 > 25 98 O 0.54232007851479 0.42194880823593 0.52712581193063 15.999 > 25 99 O 0.04232007851479 0.92194880823593 0.52712581193063 15.999 > 25 100 O 0.54232007851479 0.92194880823593 0.52712581193063 15.999 > 25 101 O 0.08481405511971 0.47421370959522 0.80167848510300 15.999 > 26 102 O 0.58481405511971 0.47421370959522 0.80167848510300 15.999 > 26 103 O 0.08481405511971 0.97421370959522 0.80167848510300 15.999 > 26 104 O 0.58481405511971 0.97421370959522 0.80167848510300 15.999 > 26 105 O 0.09417461872773 0.32132186244405 0.73575456607035 15.999 > 27 106 O 0.59417461872773 0.32132186244405 0.73575456607035 15.999 > 27 107 O 0.09417461872773 0.82132186244405 0.73575456607035 15.999 > 27 108 O 0.59417461872773 0.82132186244405 0.73575456607035 15.999 > 27 109 O 0.08828113942249 0.32074070662724 0.32067921064654 15.999 > 28 110 O 0.58828113942249 0.32074070662724 0.32067921064654 15.999 > 28 111 O 0.08828113942249 0.82074070662724 0.32067921064654 15.999 > 28 112 O 0.58828113942249 0.82074070662724 0.32067921064654 15.999 > 28 113 O 0.11726988768593 0.05707761387082 0.56845272784292 15.999 > 29 114 O 0.61726988768593 0.05707761387082 0.56845272784292 15.999 > 29 115 O 0.11726988768593 0.55707761387082 0.56845272784292 15.999 > 29 116 O 0.61726988768593 0.55707761387082 0.56845272784292 15.999 > 29 117 O 0.12690962986269 0.20617169820957 0.49461901200008 15.999 > 30 118 O 0.62690962986269 0.20617169820957 0.49461901200008 15.999 > 30 119 O 0.12690962986269 0.70617169820957 0.49461901200008 15.999 > 30 120 O 0.62690962986269 0.70617169820957 0.49461901200008 15.999 > 30 121 O 0.12309037013731 0.29382830179043 0.99461901200008 15.999 > 31 122 O 0.62309037013731 0.29382830179043 0.99461901200008 15.999 > 31 123 O 0.12309037013731 0.79382830179043 0.99461901200008 15.999 > 31 124 O 0.62309037013731 0.79382830179043 0.99461901200008 15.999 > 31 125 O 0.13273011231407 0.44292238612918 0.06845272784292 15.999 > 32 126 O 0.63273011231407 0.44292238612918 0.06845272784292 15.999 > 32 127 O 0.13273011231407 0.94292238612918 0.06845272784292 15.999 > 32 128 O 0.63273011231407 0.94292238612918 0.06845272784292 15.999 > 32 129 O 0.16171886057751 0.17925929337276 0.82067921064654 15.999 > 33 130 O 0.66171886057751 0.17925929337276 0.82067921064654 15.999 > 33 131 O 0.16171886057751 0.67925929337276 0.82067921064654 15.999 > 33 132 O 0.66171886057751 0.67925929337276 0.82067921064654 15.999 > 33 133 O 0.15582538127227 0.17867813755595 0.23575456607035 15.999 > 34 134 O 0.65582538127227 0.17867813755595 0.23575456607035 15.999 > 34 135 O 0.15582538127227 0.67867813755595 0.23575456607035 15.999 > 34 136 O 0.65582538127227 0.67867813755595 0.23575456607035 15.999 > 34 137 O 0.16518594488029 0.02578629040478 0.30167848510300 15.999 > 35 138 O 0.66518594488029 0.02578629040478 0.30167848510300 15.999 > 35 139 O 0.16518594488029 0.52578629040478 0.30167848510300 15.999 > 35 140 O 0.66518594488029 0.52578629040478 0.30167848510300 15.999 > 35 141 O 0.20767992148521 0.07805119176407 0.02712581193063 15.999 > 36 142 O 0.70767992148521 0.07805119176407 0.02712581193063 15.999 > 36 143 O 0.20767992148521 0.57805119176407 0.02712581193063 15.999 > 36 144 O 0.70767992148521 0.57805119176407 0.02712581193063 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0870358 0.0000000 0.0000000 0.0000000 4.0589961 0.0000000 0.0000000 0.0000000 4.1155556 -------------------------- Born effective charges -------------------------- 1 Ho 3.6451963 -0.0564752 -0.0462974 0.0361832 3.7676728 0.1408549 -0.2353006 0.0146967 3.8130619 2 Ho 4.2657141 0.0920784 0.1198633 -0.0721248 4.0386718 0.1653244 0.3121576 0.2366483 3.8483599 3 Ho 4.2657141 0.0920784 -0.1198633 -0.0721248 4.0386718 -0.1653244 -0.3121576 -0.2366483 3.8483599 4 Ho 3.6451963 -0.0564752 0.0462974 0.0361832 3.7676728 -0.1408549 0.2353006 -0.0146967 3.8130619 5 Ho 3.6451963 0.0564752 0.0462974 -0.0361832 3.7676728 0.1408549 0.2353006 0.0146967 3.8130619 6 Ho 4.2657141 -0.0920784 -0.1198633 0.0721248 4.0386718 0.1653244 -0.3121576 0.2366483 3.8483599 7 Ho 4.2657141 -0.0920784 0.1198633 0.0721248 4.0386718 -0.1653244 0.3121576 -0.2366483 3.8483599 8 Ho 3.6451963 0.0564752 -0.0462974 -0.0361832 3.7676728 -0.1408549 -0.2353006 -0.0146967 3.8130619 9 Te 5.0991190 0.1181690 0.1541698 0.0612449 4.8423243 0.0348834 0.0363991 0.2200972 4.9040143 10 Te 5.0991190 0.1181690 -0.1541698 0.0612449 4.8423243 -0.0348834 -0.0363991 -0.2200972 4.9040143 11 Te 5.0991190 -0.1181690 -0.1541698 -0.0612449 4.8423243 0.0348834 -0.0363991 0.2200972 4.9040143 12 Te 5.0991190 -0.1181690 0.1541698 -0.0612449 4.8423243 -0.0348834 0.0363991 -0.2200972 4.9040143 13 O -2.2509802 0.0910706 -0.4797176 0.0695381 -2.5913089 -0.2947189 -0.5326729 -0.2255100 -1.5330711 14 O -2.0503291 -0.6857066 0.3645437 -0.7261430 -1.9292763 0.0242248 0.5292207 0.0689845 -2.4458507 15 O -1.7527862 0.5272214 0.3756023 0.6194456 -1.9044334 0.0360968 0.4193488 0.0267251 -2.3058551 16 O -2.2772848 -0.5506884 0.3796879 -0.5343360 -1.8293207 0.3942017 0.1832925 0.3466652 -2.3106239 17 O -2.4141723 0.5348624 -0.0936900 0.5380567 -2.2252077 0.0964064 -0.1107569 0.2106091 -1.9377302 18 O -2.2644767 -0.1218575 -0.1112268 -0.2215796 -2.1691220 0.2073326 -0.0463520 0.1869654 -2.0323052 19 O -2.2644767 -0.1218575 0.1112268 -0.2215796 -2.1691220 -0.2073326 0.0463520 -0.1869654 -2.0323052 20 O -2.4141723 0.5348624 0.0936900 0.5380567 -2.2252077 -0.0964064 0.1107569 -0.2106091 -1.9377302 21 O -2.2772848 -0.5506884 -0.3796879 -0.5343360 -1.8293207 -0.3942017 -0.1832925 -0.3466652 -2.3106239 22 O -1.7527862 0.5272214 -0.3756023 0.6194456 -1.9044334 -0.0360968 -0.4193488 -0.0267251 -2.3058551 23 O -2.0503291 -0.6857066 -0.3645437 -0.7261430 -1.9292763 -0.0242248 -0.5292207 -0.0689845 -2.4458507 24 O -2.2509802 0.0910706 0.4797176 0.0695381 -2.5913089 0.2947189 0.5326729 0.2255100 -1.5330711 25 O -2.2509802 -0.0910706 0.4797176 -0.0695381 -2.5913089 -0.2947189 0.5326729 -0.2255100 -1.5330711 26 O -2.0503291 0.6857066 -0.3645437 0.7261430 -1.9292763 0.0242248 -0.5292207 0.0689845 -2.4458507 27 O -1.7527862 -0.5272214 -0.3756023 -0.6194456 -1.9044334 0.0360968 -0.4193488 0.0267251 -2.3058551 28 O -2.2772848 0.5506884 -0.3796879 0.5343360 -1.8293207 0.3942017 -0.1832925 0.3466652 -2.3106239 29 O -2.4141723 -0.5348624 0.0936900 -0.5380567 -2.2252077 0.0964064 0.1107569 0.2106091 -1.9377302 30 O -2.2644767 0.1218575 0.1112268 0.2215796 -2.1691220 0.2073326 0.0463520 0.1869654 -2.0323052 31 O -2.2644767 0.1218575 -0.1112268 0.2215796 -2.1691220 -0.2073326 -0.0463520 -0.1869654 -2.0323052 32 O -2.4141723 -0.5348624 -0.0936900 -0.5380567 -2.2252077 -0.0964064 -0.1107569 -0.2106091 -1.9377302 33 O -2.2772848 0.5506884 0.3796879 0.5343360 -1.8293207 -0.3942017 0.1832925 -0.3466652 -2.3106239 34 O -1.7527862 -0.5272214 0.3756023 -0.6194456 -1.9044334 -0.0360968 0.4193488 -0.0267251 -2.3058551 35 O -2.0503291 0.6857066 0.3645437 0.7261430 -1.9292763 -0.0242248 0.5292207 -0.0689845 -2.4458507 36 O -2.2509802 -0.0910706 -0.4797176 -0.0695381 -2.5913089 0.2947189 -0.5326729 0.2255100 -1.5330711 ---------------------------------------------------------------------------- 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: 5940 Number of blocks in projector: 5940 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) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 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) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 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) 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) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (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: 684 / 684 (1) 175 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: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (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: 684 / 684 (1) 175 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: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (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: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5940, 5859), data: False |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 280), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), 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, 14), data: (500, 30) @ (30, 14) |-- (250, 236), 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, 31), data: (1296, 49) @ (49, 31) |-- (296, 282), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 234), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.917 Solver_block: 200 / 1120 - Time: 1.704 Solver_block: 300 / 1120 - Time: 1.694 Solver_block: 400 / 1120 - Time: 1.699 Solver_block: 500 / 1120 - Time: 1.697 Solver_block: 600 / 1120 - Time: 1.696 Solver_block: 700 / 1120 - Time: 1.697 Solver_block: 800 / 1120 - Time: 1.694 Solver_block: 900 / 1120 - Time: 1.695 Solver_block: 1000 / 1120 - Time: 1.698 Solver_block: 1100 / 1120 - Time: 1.694 Solver_block: 1120 / 1120 - Time: 0.551 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.932 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) 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: 5940 Number of blocks in projector: 5940 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) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 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) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 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) 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) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (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: 684 / 684 (1) 175 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: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (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: 684 / 684 (1) 175 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: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (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: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5940, 5859), data: False |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 280), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), 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, 14), data: (500, 30) @ (30, 14) |-- (250, 236), 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, 31), data: (1296, 49) @ (49, 31) |-- (296, 282), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 234), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 2026-01-09 01:11:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:11:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.228931440000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.999922300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.858164769999998 Atomic positions (fractional): 1 Ho 0.52061754026914 0.39673925049810 0.03631224087561 164.930 2 Ho 0.54020124596801 0.28244252031817 0.63309856048751 164.930 3 Ho 0.95979875403199 0.71755747968184 0.13309856048751 164.930 4 Ho 0.97938245973086 0.60326074950190 0.53631224087561 164.930 5 Ho 0.02061754026914 0.10326074950190 0.96368775912439 164.930 6 Ho 0.04020124596801 0.21755747968184 0.36690143951249 164.930 7 Ho 0.45979875403199 0.78244252031816 0.86690143951249 164.930 8 Ho 0.47938245973086 0.89673925049810 0.46368775912439 164.930 9 Te 0.53963378183481 0.00533579999752 0.14924666088979 127.600 10 Te 0.96036621816519 0.99466420000248 0.64924666088979 127.600 11 Te 0.03963378183481 0.49466420000248 0.85075333911021 127.600 12 Te 0.46036621816519 0.50533579999752 0.35075333911021 127.600 13 O 0.58464015702958 0.65610238352813 0.47287418806937 15.999 14 O 0.66962811023941 0.55157258080956 0.19832151489700 15.999 15 O 0.68834923745545 0.85735627511190 0.26424543392965 15.999 16 O 0.67656227884498 0.85851858674551 0.67932078935346 15.999 17 O 0.73453977537185 0.38584477225837 0.43154727215708 15.999 18 O 0.75381925972538 0.08765660358087 0.50538098799992 15.999 19 O 0.74618074027462 0.91234339641913 0.00538098799992 15.999 20 O 0.76546022462815 0.61415522774163 0.93154727215708 15.999 21 O 0.82343772115502 0.14148141325449 0.17932078935346 15.999 22 O 0.81165076254455 0.14264372488810 0.76424543392965 15.999 23 O 0.83037188976059 0.44842741919044 0.69832151489700 15.999 24 O 0.91535984297042 0.34389761647187 0.97287418806937 15.999 25 O 0.08464015702958 0.84389761647187 0.52712581193063 15.999 26 O 0.16962811023941 0.94842741919044 0.80167848510300 15.999 27 O 0.18834923745545 0.64264372488810 0.73575456607035 15.999 28 O 0.17656227884498 0.64148141325449 0.32067921064654 15.999 29 O 0.23453977537185 0.11415522774163 0.56845272784292 15.999 30 O 0.25381925972538 0.41234339641913 0.49461901200008 15.999 31 O 0.24618074027462 0.58765660358087 0.99461901200008 15.999 32 O 0.26546022462815 0.88584477225837 0.06845272784292 15.999 33 O 0.32343772115502 0.35851858674551 0.82067921064654 15.999 34 O 0.31165076254455 0.35735627511190 0.23575456607035 15.999 35 O 0.33037188976059 0.05157258080956 0.30167848510300 15.999 36 O 0.41535984297042 0.15610238352813 0.02712581193063 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.457862880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 17.999844599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.858164769999998 Atomic positions (fractional): 1 Ho 0.26030877013457 0.19836962524905 0.03631224087561 164.930 > 1 2 Ho 0.76030877013457 0.19836962524905 0.03631224087561 164.930 > 1 3 Ho 0.26030877013457 0.69836962524905 0.03631224087561 164.930 > 1 4 Ho 0.76030877013457 0.69836962524905 0.03631224087561 164.930 > 1 5 Ho 0.27010062298400 0.14122126015908 0.63309856048751 164.930 > 5 6 Ho 0.77010062298400 0.14122126015908 0.63309856048751 164.930 > 5 7 Ho 0.27010062298400 0.64122126015908 0.63309856048751 164.930 > 5 8 Ho 0.77010062298400 0.64122126015908 0.63309856048751 164.930 > 5 9 Ho 0.47989937701600 0.35877873984092 0.13309856048751 164.930 > 9 10 Ho 0.97989937701600 0.35877873984092 0.13309856048751 164.930 > 9 11 Ho 0.47989937701600 0.85877873984092 0.13309856048751 164.930 > 9 12 Ho 0.97989937701600 0.85877873984092 0.13309856048751 164.930 > 9 13 Ho 0.48969122986543 0.30163037475095 0.53631224087561 164.930 > 13 14 Ho 0.98969122986543 0.30163037475095 0.53631224087561 164.930 > 13 15 Ho 0.48969122986543 0.80163037475095 0.53631224087561 164.930 > 13 16 Ho 0.98969122986543 0.80163037475095 0.53631224087561 164.930 > 13 17 Ho 0.01030877013457 0.05163037475095 0.96368775912439 164.930 > 17 18 Ho 0.51030877013457 0.05163037475095 0.96368775912439 164.930 > 17 19 Ho 0.01030877013457 0.55163037475095 0.96368775912439 164.930 > 17 20 Ho 0.51030877013457 0.55163037475095 0.96368775912439 164.930 > 17 21 Ho 0.02010062298400 0.10877873984092 0.36690143951249 164.930 > 21 22 Ho 0.52010062298400 0.10877873984092 0.36690143951249 164.930 > 21 23 Ho 0.02010062298400 0.60877873984092 0.36690143951249 164.930 > 21 24 Ho 0.52010062298400 0.60877873984092 0.36690143951249 164.930 > 21 25 Ho 0.22989937701600 0.39122126015908 0.86690143951249 164.930 > 25 26 Ho 0.72989937701600 0.39122126015908 0.86690143951249 164.930 > 25 27 Ho 0.22989937701600 0.89122126015908 0.86690143951249 164.930 > 25 28 Ho 0.72989937701600 0.89122126015908 0.86690143951249 164.930 > 25 29 Ho 0.23969122986543 0.44836962524905 0.46368775912439 164.930 > 29 30 Ho 0.73969122986543 0.44836962524905 0.46368775912439 164.930 > 29 31 Ho 0.23969122986543 0.94836962524905 0.46368775912439 164.930 > 29 32 Ho 0.73969122986543 0.94836962524905 0.46368775912439 164.930 > 29 33 Te 0.26981689091741 0.00266789999876 0.14924666088979 127.600 > 33 34 Te 0.76981689091741 0.00266789999876 0.14924666088979 127.600 > 33 35 Te 0.26981689091741 0.50266789999876 0.14924666088979 127.600 > 33 36 Te 0.76981689091741 0.50266789999876 0.14924666088979 127.600 > 33 37 Te 0.48018310908259 0.49733210000124 0.64924666088979 127.600 > 37 38 Te 0.98018310908259 0.49733210000124 0.64924666088979 127.600 > 37 39 Te 0.48018310908259 0.99733210000124 0.64924666088979 127.600 > 37 40 Te 0.98018310908259 0.99733210000124 0.64924666088979 127.600 > 37 41 Te 0.01981689091741 0.24733210000124 0.85075333911021 127.600 > 41 42 Te 0.51981689091741 0.24733210000124 0.85075333911021 127.600 > 41 43 Te 0.01981689091741 0.74733210000124 0.85075333911021 127.600 > 41 44 Te 0.51981689091741 0.74733210000124 0.85075333911021 127.600 > 41 45 Te 0.23018310908259 0.25266789999876 0.35075333911021 127.600 > 45 46 Te 0.73018310908259 0.25266789999876 0.35075333911021 127.600 > 45 47 Te 0.23018310908259 0.75266789999876 0.35075333911021 127.600 > 45 48 Te 0.73018310908259 0.75266789999876 0.35075333911021 127.600 > 45 49 O 0.29232007851479 0.32805119176407 0.47287418806937 15.999 > 49 50 O 0.79232007851479 0.32805119176407 0.47287418806937 15.999 > 49 51 O 0.29232007851479 0.82805119176407 0.47287418806937 15.999 > 49 52 O 0.79232007851479 0.82805119176407 0.47287418806937 15.999 > 49 53 O 0.33481405511971 0.27578629040478 0.19832151489700 15.999 > 53 54 O 0.83481405511971 0.27578629040478 0.19832151489700 15.999 > 53 55 O 0.33481405511971 0.77578629040478 0.19832151489700 15.999 > 53 56 O 0.83481405511971 0.77578629040478 0.19832151489700 15.999 > 53 57 O 0.34417461872773 0.42867813755595 0.26424543392965 15.999 > 57 58 O 0.84417461872773 0.42867813755595 0.26424543392965 15.999 > 57 59 O 0.34417461872773 0.92867813755595 0.26424543392965 15.999 > 57 60 O 0.84417461872773 0.92867813755595 0.26424543392965 15.999 > 57 61 O 0.33828113942249 0.42925929337276 0.67932078935346 15.999 > 61 62 O 0.83828113942249 0.42925929337276 0.67932078935346 15.999 > 61 63 O 0.33828113942249 0.92925929337276 0.67932078935346 15.999 > 61 64 O 0.83828113942249 0.92925929337276 0.67932078935346 15.999 > 61 65 O 0.36726988768593 0.19292238612918 0.43154727215708 15.999 > 65 66 O 0.86726988768593 0.19292238612918 0.43154727215708 15.999 > 65 67 O 0.36726988768593 0.69292238612918 0.43154727215708 15.999 > 65 68 O 0.86726988768593 0.69292238612918 0.43154727215708 15.999 > 65 69 O 0.37690962986269 0.04382830179043 0.50538098799992 15.999 > 69 70 O 0.87690962986269 0.04382830179043 0.50538098799992 15.999 > 69 71 O 0.37690962986269 0.54382830179043 0.50538098799992 15.999 > 69 72 O 0.87690962986269 0.54382830179043 0.50538098799992 15.999 > 69 73 O 0.37309037013731 0.45617169820957 0.00538098799992 15.999 > 73 74 O 0.87309037013731 0.45617169820957 0.00538098799992 15.999 > 73 75 O 0.37309037013731 0.95617169820957 0.00538098799992 15.999 > 73 76 O 0.87309037013731 0.95617169820957 0.00538098799992 15.999 > 73 77 O 0.38273011231407 0.30707761387082 0.93154727215708 15.999 > 77 78 O 0.88273011231407 0.30707761387082 0.93154727215708 15.999 > 77 79 O 0.38273011231407 0.80707761387082 0.93154727215708 15.999 > 77 80 O 0.88273011231407 0.80707761387082 0.93154727215708 15.999 > 77 81 O 0.41171886057751 0.07074070662724 0.17932078935346 15.999 > 81 82 O 0.91171886057751 0.07074070662724 0.17932078935346 15.999 > 81 83 O 0.41171886057751 0.57074070662724 0.17932078935346 15.999 > 81 84 O 0.91171886057751 0.57074070662724 0.17932078935346 15.999 > 81 85 O 0.40582538127227 0.07132186244405 0.76424543392965 15.999 > 85 86 O 0.90582538127227 0.07132186244405 0.76424543392965 15.999 > 85 87 O 0.40582538127227 0.57132186244405 0.76424543392965 15.999 > 85 88 O 0.90582538127227 0.57132186244405 0.76424543392965 15.999 > 85 89 O 0.41518594488029 0.22421370959522 0.69832151489700 15.999 > 89 90 O 0.91518594488029 0.22421370959522 0.69832151489700 15.999 > 89 91 O 0.41518594488029 0.72421370959522 0.69832151489700 15.999 > 89 92 O 0.91518594488029 0.72421370959522 0.69832151489700 15.999 > 89 93 O 0.45767992148521 0.17194880823593 0.97287418806937 15.999 > 93 94 O 0.95767992148521 0.17194880823593 0.97287418806937 15.999 > 93 95 O 0.45767992148521 0.67194880823593 0.97287418806937 15.999 > 93 96 O 0.95767992148521 0.67194880823593 0.97287418806937 15.999 > 93 97 O 0.04232007851479 0.42194880823593 0.52712581193063 15.999 > 97 98 O 0.54232007851479 0.42194880823593 0.52712581193063 15.999 > 97 99 O 0.04232007851479 0.92194880823593 0.52712581193063 15.999 > 97 100 O 0.54232007851479 0.92194880823593 0.52712581193063 15.999 > 97 101 O 0.08481405511971 0.47421370959522 0.80167848510300 15.999 > 101 102 O 0.58481405511971 0.47421370959522 0.80167848510300 15.999 > 101 103 O 0.08481405511971 0.97421370959522 0.80167848510300 15.999 > 101 104 O 0.58481405511971 0.97421370959522 0.80167848510300 15.999 > 101 105 O 0.09417461872773 0.32132186244405 0.73575456607035 15.999 > 105 106 O 0.59417461872773 0.32132186244405 0.73575456607035 15.999 > 105 107 O 0.09417461872773 0.82132186244405 0.73575456607035 15.999 > 105 108 O 0.59417461872773 0.82132186244405 0.73575456607035 15.999 > 105 109 O 0.08828113942249 0.32074070662724 0.32067921064654 15.999 > 109 110 O 0.58828113942249 0.32074070662724 0.32067921064654 15.999 > 109 111 O 0.08828113942249 0.82074070662724 0.32067921064654 15.999 > 109 112 O 0.58828113942249 0.82074070662724 0.32067921064654 15.999 > 109 113 O 0.11726988768593 0.05707761387082 0.56845272784292 15.999 > 113 114 O 0.61726988768593 0.05707761387082 0.56845272784292 15.999 > 113 115 O 0.11726988768593 0.55707761387082 0.56845272784292 15.999 > 113 116 O 0.61726988768593 0.55707761387082 0.56845272784292 15.999 > 113 117 O 0.12690962986269 0.20617169820957 0.49461901200008 15.999 > 117 118 O 0.62690962986269 0.20617169820957 0.49461901200008 15.999 > 117 119 O 0.12690962986269 0.70617169820957 0.49461901200008 15.999 > 117 120 O 0.62690962986269 0.70617169820957 0.49461901200008 15.999 > 117 121 O 0.12309037013731 0.29382830179043 0.99461901200008 15.999 > 121 122 O 0.62309037013731 0.29382830179043 0.99461901200008 15.999 > 121 123 O 0.12309037013731 0.79382830179043 0.99461901200008 15.999 > 121 124 O 0.62309037013731 0.79382830179043 0.99461901200008 15.999 > 121 125 O 0.13273011231407 0.44292238612918 0.06845272784292 15.999 > 125 126 O 0.63273011231407 0.44292238612918 0.06845272784292 15.999 > 125 127 O 0.13273011231407 0.94292238612918 0.06845272784292 15.999 > 125 128 O 0.63273011231407 0.94292238612918 0.06845272784292 15.999 > 125 129 O 0.16171886057751 0.17925929337276 0.82067921064654 15.999 > 129 130 O 0.66171886057751 0.17925929337276 0.82067921064654 15.999 > 129 131 O 0.16171886057751 0.67925929337276 0.82067921064654 15.999 > 129 132 O 0.66171886057751 0.67925929337276 0.82067921064654 15.999 > 129 133 O 0.15582538127227 0.17867813755595 0.23575456607035 15.999 > 133 134 O 0.65582538127227 0.17867813755595 0.23575456607035 15.999 > 133 135 O 0.15582538127227 0.67867813755595 0.23575456607035 15.999 > 133 136 O 0.65582538127227 0.67867813755595 0.23575456607035 15.999 > 133 137 O 0.16518594488029 0.02578629040478 0.30167848510300 15.999 > 137 138 O 0.66518594488029 0.02578629040478 0.30167848510300 15.999 > 137 139 O 0.16518594488029 0.52578629040478 0.30167848510300 15.999 > 137 140 O 0.66518594488029 0.52578629040478 0.30167848510300 15.999 > 137 141 O 0.20767992148521 0.07805119176407 0.02712581193063 15.999 > 141 142 O 0.70767992148521 0.07805119176407 0.02712581193063 15.999 > 141 143 O 0.20767992148521 0.57805119176407 0.02712581193063 15.999 > 141 144 O 0.70767992148521 0.57805119176407 0.02712581193063 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0870358 0.0000000 0.0000000 0.0000000 4.0589961 0.0000000 0.0000000 0.0000000 4.1155556 -------------------------- Born effective charges -------------------------- 1 Ho 3.6451963 -0.0564752 -0.0462974 0.0361832 3.7676728 0.1408549 -0.2353006 0.0146967 3.8130619 2 Ho 4.2657141 0.0920784 0.1198633 -0.0721248 4.0386718 0.1653244 0.3121576 0.2366483 3.8483599 3 Ho 4.2657141 0.0920784 -0.1198633 -0.0721248 4.0386718 -0.1653244 -0.3121576 -0.2366483 3.8483599 4 Ho 3.6451963 -0.0564752 0.0462974 0.0361832 3.7676728 -0.1408549 0.2353006 -0.0146967 3.8130619 5 Ho 3.6451963 0.0564752 0.0462974 -0.0361832 3.7676728 0.1408549 0.2353006 0.0146967 3.8130619 6 Ho 4.2657141 -0.0920784 -0.1198633 0.0721248 4.0386718 0.1653244 -0.3121576 0.2366483 3.8483599 7 Ho 4.2657141 -0.0920784 0.1198633 0.0721248 4.0386718 -0.1653244 0.3121576 -0.2366483 3.8483599 8 Ho 3.6451963 0.0564752 -0.0462974 -0.0361832 3.7676728 -0.1408549 -0.2353006 -0.0146967 3.8130619 9 Te 5.0991190 0.1181690 0.1541698 0.0612449 4.8423243 0.0348834 0.0363991 0.2200972 4.9040143 10 Te 5.0991190 0.1181690 -0.1541698 0.0612449 4.8423243 -0.0348834 -0.0363991 -0.2200972 4.9040143 11 Te 5.0991190 -0.1181690 -0.1541698 -0.0612449 4.8423243 0.0348834 -0.0363991 0.2200972 4.9040143 12 Te 5.0991190 -0.1181690 0.1541698 -0.0612449 4.8423243 -0.0348834 0.0363991 -0.2200972 4.9040143 13 O -2.2509802 0.0910706 -0.4797176 0.0695381 -2.5913089 -0.2947189 -0.5326729 -0.2255100 -1.5330711 14 O -2.0503291 -0.6857066 0.3645437 -0.7261430 -1.9292763 0.0242248 0.5292207 0.0689845 -2.4458507 15 O -1.7527862 0.5272214 0.3756023 0.6194456 -1.9044334 0.0360968 0.4193488 0.0267251 -2.3058551 16 O -2.2772848 -0.5506884 0.3796879 -0.5343360 -1.8293207 0.3942017 0.1832925 0.3466652 -2.3106239 17 O -2.4141723 0.5348624 -0.0936900 0.5380567 -2.2252077 0.0964064 -0.1107569 0.2106091 -1.9377302 18 O -2.2644767 -0.1218575 -0.1112268 -0.2215796 -2.1691220 0.2073326 -0.0463520 0.1869654 -2.0323052 19 O -2.2644767 -0.1218575 0.1112268 -0.2215796 -2.1691220 -0.2073326 0.0463520 -0.1869654 -2.0323052 20 O -2.4141723 0.5348624 0.0936900 0.5380567 -2.2252077 -0.0964064 0.1107569 -0.2106091 -1.9377302 21 O -2.2772848 -0.5506884 -0.3796879 -0.5343360 -1.8293207 -0.3942017 -0.1832925 -0.3466652 -2.3106239 22 O -1.7527862 0.5272214 -0.3756023 0.6194456 -1.9044334 -0.0360968 -0.4193488 -0.0267251 -2.3058551 23 O -2.0503291 -0.6857066 -0.3645437 -0.7261430 -1.9292763 -0.0242248 -0.5292207 -0.0689845 -2.4458507 24 O -2.2509802 0.0910706 0.4797176 0.0695381 -2.5913089 0.2947189 0.5326729 0.2255100 -1.5330711 25 O -2.2509802 -0.0910706 0.4797176 -0.0695381 -2.5913089 -0.2947189 0.5326729 -0.2255100 -1.5330711 26 O -2.0503291 0.6857066 -0.3645437 0.7261430 -1.9292763 0.0242248 -0.5292207 0.0689845 -2.4458507 27 O -1.7527862 -0.5272214 -0.3756023 -0.6194456 -1.9044334 0.0360968 -0.4193488 0.0267251 -2.3058551 28 O -2.2772848 0.5506884 -0.3796879 0.5343360 -1.8293207 0.3942017 -0.1832925 0.3466652 -2.3106239 29 O -2.4141723 -0.5348624 0.0936900 -0.5380567 -2.2252077 0.0964064 0.1107569 0.2106091 -1.9377302 30 O -2.2644767 0.1218575 0.1112268 0.2215796 -2.1691220 0.2073326 0.0463520 0.1869654 -2.0323052 31 O -2.2644767 0.1218575 -0.1112268 0.2215796 -2.1691220 -0.2073326 -0.0463520 -0.1869654 -2.0323052 32 O -2.4141723 -0.5348624 -0.0936900 -0.5380567 -2.2252077 -0.0964064 -0.1107569 -0.2106091 -1.9377302 33 O -2.2772848 0.5506884 0.3796879 0.5343360 -1.8293207 -0.3942017 0.1832925 -0.3466652 -2.3106239 34 O -1.7527862 -0.5272214 0.3756023 -0.6194456 -1.9044334 -0.0360968 0.4193488 -0.0267251 -2.3058551 35 O -2.0503291 0.6857066 0.3645437 0.7261430 -1.9292763 -0.0242248 0.5292207 -0.0689845 -2.4458507 36 O -2.2509802 -0.0910706 -0.4797176 -0.0695381 -2.5913089 0.2947189 -0.5326729 0.2255100 -1.5330711 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (yx) -0.00000002 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:12:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:12:30]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.228931440000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.999922300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.858164769999998 Atomic positions (fractional): 1 Ho 0.52061754026914 0.39673925049810 0.03631224087561 164.930 2 Ho 0.54020124596801 0.28244252031817 0.63309856048751 164.930 3 Ho 0.95979875403199 0.71755747968184 0.13309856048751 164.930 4 Ho 0.97938245973086 0.60326074950190 0.53631224087561 164.930 5 Ho 0.02061754026914 0.10326074950190 0.96368775912439 164.930 6 Ho 0.04020124596801 0.21755747968184 0.36690143951249 164.930 7 Ho 0.45979875403199 0.78244252031816 0.86690143951249 164.930 8 Ho 0.47938245973086 0.89673925049810 0.46368775912439 164.930 9 Te 0.53963378183481 0.00533579999752 0.14924666088979 127.600 10 Te 0.96036621816519 0.99466420000248 0.64924666088979 127.600 11 Te 0.03963378183481 0.49466420000248 0.85075333911021 127.600 12 Te 0.46036621816519 0.50533579999752 0.35075333911021 127.600 13 O 0.58464015702958 0.65610238352813 0.47287418806937 15.999 14 O 0.66962811023941 0.55157258080956 0.19832151489700 15.999 15 O 0.68834923745545 0.85735627511190 0.26424543392965 15.999 16 O 0.67656227884498 0.85851858674551 0.67932078935346 15.999 17 O 0.73453977537185 0.38584477225837 0.43154727215708 15.999 18 O 0.75381925972538 0.08765660358087 0.50538098799992 15.999 19 O 0.74618074027462 0.91234339641913 0.00538098799992 15.999 20 O 0.76546022462815 0.61415522774163 0.93154727215708 15.999 21 O 0.82343772115502 0.14148141325449 0.17932078935346 15.999 22 O 0.81165076254455 0.14264372488810 0.76424543392965 15.999 23 O 0.83037188976059 0.44842741919044 0.69832151489700 15.999 24 O 0.91535984297042 0.34389761647187 0.97287418806937 15.999 25 O 0.08464015702958 0.84389761647187 0.52712581193063 15.999 26 O 0.16962811023941 0.94842741919044 0.80167848510300 15.999 27 O 0.18834923745545 0.64264372488810 0.73575456607035 15.999 28 O 0.17656227884498 0.64148141325449 0.32067921064654 15.999 29 O 0.23453977537185 0.11415522774163 0.56845272784292 15.999 30 O 0.25381925972538 0.41234339641913 0.49461901200008 15.999 31 O 0.24618074027462 0.58765660358087 0.99461901200008 15.999 32 O 0.26546022462815 0.88584477225837 0.06845272784292 15.999 33 O 0.32343772115502 0.35851858674551 0.82067921064654 15.999 34 O 0.31165076254455 0.35735627511190 0.23575456607035 15.999 35 O 0.33037188976059 0.05157258080956 0.30167848510300 15.999 36 O 0.41535984297042 0.15610238352813 0.02712581193063 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.457862880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 17.999844599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.858164769999998 Atomic positions (fractional): 1 Ho 0.26030877013457 0.19836962524905 0.03631224087561 164.930 > 1 2 Ho 0.76030877013457 0.19836962524905 0.03631224087561 164.930 > 1 3 Ho 0.26030877013457 0.69836962524905 0.03631224087561 164.930 > 1 4 Ho 0.76030877013457 0.69836962524905 0.03631224087561 164.930 > 1 5 Ho 0.27010062298400 0.14122126015908 0.63309856048751 164.930 > 5 6 Ho 0.77010062298400 0.14122126015908 0.63309856048751 164.930 > 5 7 Ho 0.27010062298400 0.64122126015908 0.63309856048751 164.930 > 5 8 Ho 0.77010062298400 0.64122126015908 0.63309856048751 164.930 > 5 9 Ho 0.47989937701600 0.35877873984092 0.13309856048751 164.930 > 9 10 Ho 0.97989937701600 0.35877873984092 0.13309856048751 164.930 > 9 11 Ho 0.47989937701600 0.85877873984092 0.13309856048751 164.930 > 9 12 Ho 0.97989937701600 0.85877873984092 0.13309856048751 164.930 > 9 13 Ho 0.48969122986543 0.30163037475095 0.53631224087561 164.930 > 13 14 Ho 0.98969122986543 0.30163037475095 0.53631224087561 164.930 > 13 15 Ho 0.48969122986543 0.80163037475095 0.53631224087561 164.930 > 13 16 Ho 0.98969122986543 0.80163037475095 0.53631224087561 164.930 > 13 17 Ho 0.01030877013457 0.05163037475095 0.96368775912439 164.930 > 17 18 Ho 0.51030877013457 0.05163037475095 0.96368775912439 164.930 > 17 19 Ho 0.01030877013457 0.55163037475095 0.96368775912439 164.930 > 17 20 Ho 0.51030877013457 0.55163037475095 0.96368775912439 164.930 > 17 21 Ho 0.02010062298400 0.10877873984092 0.36690143951249 164.930 > 21 22 Ho 0.52010062298400 0.10877873984092 0.36690143951249 164.930 > 21 23 Ho 0.02010062298400 0.60877873984092 0.36690143951249 164.930 > 21 24 Ho 0.52010062298400 0.60877873984092 0.36690143951249 164.930 > 21 25 Ho 0.22989937701600 0.39122126015908 0.86690143951249 164.930 > 25 26 Ho 0.72989937701600 0.39122126015908 0.86690143951249 164.930 > 25 27 Ho 0.22989937701600 0.89122126015908 0.86690143951249 164.930 > 25 28 Ho 0.72989937701600 0.89122126015908 0.86690143951249 164.930 > 25 29 Ho 0.23969122986543 0.44836962524905 0.46368775912439 164.930 > 29 30 Ho 0.73969122986543 0.44836962524905 0.46368775912439 164.930 > 29 31 Ho 0.23969122986543 0.94836962524905 0.46368775912439 164.930 > 29 32 Ho 0.73969122986543 0.94836962524905 0.46368775912439 164.930 > 29 33 Te 0.26981689091741 0.00266789999876 0.14924666088979 127.600 > 33 34 Te 0.76981689091741 0.00266789999876 0.14924666088979 127.600 > 33 35 Te 0.26981689091741 0.50266789999876 0.14924666088979 127.600 > 33 36 Te 0.76981689091741 0.50266789999876 0.14924666088979 127.600 > 33 37 Te 0.48018310908259 0.49733210000124 0.64924666088979 127.600 > 37 38 Te 0.98018310908259 0.49733210000124 0.64924666088979 127.600 > 37 39 Te 0.48018310908259 0.99733210000124 0.64924666088979 127.600 > 37 40 Te 0.98018310908259 0.99733210000124 0.64924666088979 127.600 > 37 41 Te 0.01981689091741 0.24733210000124 0.85075333911021 127.600 > 41 42 Te 0.51981689091741 0.24733210000124 0.85075333911021 127.600 > 41 43 Te 0.01981689091741 0.74733210000124 0.85075333911021 127.600 > 41 44 Te 0.51981689091741 0.74733210000124 0.85075333911021 127.600 > 41 45 Te 0.23018310908259 0.25266789999876 0.35075333911021 127.600 > 45 46 Te 0.73018310908259 0.25266789999876 0.35075333911021 127.600 > 45 47 Te 0.23018310908259 0.75266789999876 0.35075333911021 127.600 > 45 48 Te 0.73018310908259 0.75266789999876 0.35075333911021 127.600 > 45 49 O 0.29232007851479 0.32805119176407 0.47287418806937 15.999 > 49 50 O 0.79232007851479 0.32805119176407 0.47287418806937 15.999 > 49 51 O 0.29232007851479 0.82805119176407 0.47287418806937 15.999 > 49 52 O 0.79232007851479 0.82805119176407 0.47287418806937 15.999 > 49 53 O 0.33481405511971 0.27578629040478 0.19832151489700 15.999 > 53 54 O 0.83481405511971 0.27578629040478 0.19832151489700 15.999 > 53 55 O 0.33481405511971 0.77578629040478 0.19832151489700 15.999 > 53 56 O 0.83481405511971 0.77578629040478 0.19832151489700 15.999 > 53 57 O 0.34417461872773 0.42867813755595 0.26424543392965 15.999 > 57 58 O 0.84417461872773 0.42867813755595 0.26424543392965 15.999 > 57 59 O 0.34417461872773 0.92867813755595 0.26424543392965 15.999 > 57 60 O 0.84417461872773 0.92867813755595 0.26424543392965 15.999 > 57 61 O 0.33828113942249 0.42925929337276 0.67932078935346 15.999 > 61 62 O 0.83828113942249 0.42925929337276 0.67932078935346 15.999 > 61 63 O 0.33828113942249 0.92925929337276 0.67932078935346 15.999 > 61 64 O 0.83828113942249 0.92925929337276 0.67932078935346 15.999 > 61 65 O 0.36726988768593 0.19292238612918 0.43154727215708 15.999 > 65 66 O 0.86726988768593 0.19292238612918 0.43154727215708 15.999 > 65 67 O 0.36726988768593 0.69292238612918 0.43154727215708 15.999 > 65 68 O 0.86726988768593 0.69292238612918 0.43154727215708 15.999 > 65 69 O 0.37690962986269 0.04382830179043 0.50538098799992 15.999 > 69 70 O 0.87690962986269 0.04382830179043 0.50538098799992 15.999 > 69 71 O 0.37690962986269 0.54382830179043 0.50538098799992 15.999 > 69 72 O 0.87690962986269 0.54382830179043 0.50538098799992 15.999 > 69 73 O 0.37309037013731 0.45617169820957 0.00538098799992 15.999 > 73 74 O 0.87309037013731 0.45617169820957 0.00538098799992 15.999 > 73 75 O 0.37309037013731 0.95617169820957 0.00538098799992 15.999 > 73 76 O 0.87309037013731 0.95617169820957 0.00538098799992 15.999 > 73 77 O 0.38273011231407 0.30707761387082 0.93154727215708 15.999 > 77 78 O 0.88273011231407 0.30707761387082 0.93154727215708 15.999 > 77 79 O 0.38273011231407 0.80707761387082 0.93154727215708 15.999 > 77 80 O 0.88273011231407 0.80707761387082 0.93154727215708 15.999 > 77 81 O 0.41171886057751 0.07074070662724 0.17932078935346 15.999 > 81 82 O 0.91171886057751 0.07074070662724 0.17932078935346 15.999 > 81 83 O 0.41171886057751 0.57074070662724 0.17932078935346 15.999 > 81 84 O 0.91171886057751 0.57074070662724 0.17932078935346 15.999 > 81 85 O 0.40582538127227 0.07132186244405 0.76424543392965 15.999 > 85 86 O 0.90582538127227 0.07132186244405 0.76424543392965 15.999 > 85 87 O 0.40582538127227 0.57132186244405 0.76424543392965 15.999 > 85 88 O 0.90582538127227 0.57132186244405 0.76424543392965 15.999 > 85 89 O 0.41518594488029 0.22421370959522 0.69832151489700 15.999 > 89 90 O 0.91518594488029 0.22421370959522 0.69832151489700 15.999 > 89 91 O 0.41518594488029 0.72421370959522 0.69832151489700 15.999 > 89 92 O 0.91518594488029 0.72421370959522 0.69832151489700 15.999 > 89 93 O 0.45767992148521 0.17194880823593 0.97287418806937 15.999 > 93 94 O 0.95767992148521 0.17194880823593 0.97287418806937 15.999 > 93 95 O 0.45767992148521 0.67194880823593 0.97287418806937 15.999 > 93 96 O 0.95767992148521 0.67194880823593 0.97287418806937 15.999 > 93 97 O 0.04232007851479 0.42194880823593 0.52712581193063 15.999 > 97 98 O 0.54232007851479 0.42194880823593 0.52712581193063 15.999 > 97 99 O 0.04232007851479 0.92194880823593 0.52712581193063 15.999 > 97 100 O 0.54232007851479 0.92194880823593 0.52712581193063 15.999 > 97 101 O 0.08481405511971 0.47421370959522 0.80167848510300 15.999 > 101 102 O 0.58481405511971 0.47421370959522 0.80167848510300 15.999 > 101 103 O 0.08481405511971 0.97421370959522 0.80167848510300 15.999 > 101 104 O 0.58481405511971 0.97421370959522 0.80167848510300 15.999 > 101 105 O 0.09417461872773 0.32132186244405 0.73575456607035 15.999 > 105 106 O 0.59417461872773 0.32132186244405 0.73575456607035 15.999 > 105 107 O 0.09417461872773 0.82132186244405 0.73575456607035 15.999 > 105 108 O 0.59417461872773 0.82132186244405 0.73575456607035 15.999 > 105 109 O 0.08828113942249 0.32074070662724 0.32067921064654 15.999 > 109 110 O 0.58828113942249 0.32074070662724 0.32067921064654 15.999 > 109 111 O 0.08828113942249 0.82074070662724 0.32067921064654 15.999 > 109 112 O 0.58828113942249 0.82074070662724 0.32067921064654 15.999 > 109 113 O 0.11726988768593 0.05707761387082 0.56845272784292 15.999 > 113 114 O 0.61726988768593 0.05707761387082 0.56845272784292 15.999 > 113 115 O 0.11726988768593 0.55707761387082 0.56845272784292 15.999 > 113 116 O 0.61726988768593 0.55707761387082 0.56845272784292 15.999 > 113 117 O 0.12690962986269 0.20617169820957 0.49461901200008 15.999 > 117 118 O 0.62690962986269 0.20617169820957 0.49461901200008 15.999 > 117 119 O 0.12690962986269 0.70617169820957 0.49461901200008 15.999 > 117 120 O 0.62690962986269 0.70617169820957 0.49461901200008 15.999 > 117 121 O 0.12309037013731 0.29382830179043 0.99461901200008 15.999 > 121 122 O 0.62309037013731 0.29382830179043 0.99461901200008 15.999 > 121 123 O 0.12309037013731 0.79382830179043 0.99461901200008 15.999 > 121 124 O 0.62309037013731 0.79382830179043 0.99461901200008 15.999 > 121 125 O 0.13273011231407 0.44292238612918 0.06845272784292 15.999 > 125 126 O 0.63273011231407 0.44292238612918 0.06845272784292 15.999 > 125 127 O 0.13273011231407 0.94292238612918 0.06845272784292 15.999 > 125 128 O 0.63273011231407 0.94292238612918 0.06845272784292 15.999 > 125 129 O 0.16171886057751 0.17925929337276 0.82067921064654 15.999 > 129 130 O 0.66171886057751 0.17925929337276 0.82067921064654 15.999 > 129 131 O 0.16171886057751 0.67925929337276 0.82067921064654 15.999 > 129 132 O 0.66171886057751 0.67925929337276 0.82067921064654 15.999 > 129 133 O 0.15582538127227 0.17867813755595 0.23575456607035 15.999 > 133 134 O 0.65582538127227 0.17867813755595 0.23575456607035 15.999 > 133 135 O 0.15582538127227 0.67867813755595 0.23575456607035 15.999 > 133 136 O 0.65582538127227 0.67867813755595 0.23575456607035 15.999 > 133 137 O 0.16518594488029 0.02578629040478 0.30167848510300 15.999 > 137 138 O 0.66518594488029 0.02578629040478 0.30167848510300 15.999 > 137 139 O 0.16518594488029 0.52578629040478 0.30167848510300 15.999 > 137 140 O 0.66518594488029 0.52578629040478 0.30167848510300 15.999 > 137 141 O 0.20767992148521 0.07805119176407 0.02712581193063 15.999 > 141 142 O 0.70767992148521 0.07805119176407 0.02712581193063 15.999 > 141 143 O 0.20767992148521 0.57805119176407 0.02712581193063 15.999 > 141 144 O 0.70767992148521 0.57805119176407 0.02712581193063 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0870358 0.0000000 0.0000000 0.0000000 4.0589961 0.0000000 0.0000000 0.0000000 4.1155556 -------------------------- Born effective charges -------------------------- 1 Ho 3.6451963 -0.0564752 -0.0462974 0.0361832 3.7676728 0.1408549 -0.2353006 0.0146967 3.8130619 2 Ho 4.2657141 0.0920784 0.1198633 -0.0721248 4.0386718 0.1653244 0.3121576 0.2366483 3.8483599 3 Ho 4.2657141 0.0920784 -0.1198633 -0.0721248 4.0386718 -0.1653244 -0.3121576 -0.2366483 3.8483599 4 Ho 3.6451963 -0.0564752 0.0462974 0.0361832 3.7676728 -0.1408549 0.2353006 -0.0146967 3.8130619 5 Ho 3.6451963 0.0564752 0.0462974 -0.0361832 3.7676728 0.1408549 0.2353006 0.0146967 3.8130619 6 Ho 4.2657141 -0.0920784 -0.1198633 0.0721248 4.0386718 0.1653244 -0.3121576 0.2366483 3.8483599 7 Ho 4.2657141 -0.0920784 0.1198633 0.0721248 4.0386718 -0.1653244 0.3121576 -0.2366483 3.8483599 8 Ho 3.6451963 0.0564752 -0.0462974 -0.0361832 3.7676728 -0.1408549 -0.2353006 -0.0146967 3.8130619 9 Te 5.0991190 0.1181690 0.1541698 0.0612449 4.8423243 0.0348834 0.0363991 0.2200972 4.9040143 10 Te 5.0991190 0.1181690 -0.1541698 0.0612449 4.8423243 -0.0348834 -0.0363991 -0.2200972 4.9040143 11 Te 5.0991190 -0.1181690 -0.1541698 -0.0612449 4.8423243 0.0348834 -0.0363991 0.2200972 4.9040143 12 Te 5.0991190 -0.1181690 0.1541698 -0.0612449 4.8423243 -0.0348834 0.0363991 -0.2200972 4.9040143 13 O -2.2509802 0.0910706 -0.4797176 0.0695381 -2.5913089 -0.2947189 -0.5326729 -0.2255100 -1.5330711 14 O -2.0503291 -0.6857066 0.3645437 -0.7261430 -1.9292763 0.0242248 0.5292207 0.0689845 -2.4458507 15 O -1.7527862 0.5272214 0.3756023 0.6194456 -1.9044334 0.0360968 0.4193488 0.0267251 -2.3058551 16 O -2.2772848 -0.5506884 0.3796879 -0.5343360 -1.8293207 0.3942017 0.1832925 0.3466652 -2.3106239 17 O -2.4141723 0.5348624 -0.0936900 0.5380567 -2.2252077 0.0964064 -0.1107569 0.2106091 -1.9377302 18 O -2.2644767 -0.1218575 -0.1112268 -0.2215796 -2.1691220 0.2073326 -0.0463520 0.1869654 -2.0323052 19 O -2.2644767 -0.1218575 0.1112268 -0.2215796 -2.1691220 -0.2073326 0.0463520 -0.1869654 -2.0323052 20 O -2.4141723 0.5348624 0.0936900 0.5380567 -2.2252077 -0.0964064 0.1107569 -0.2106091 -1.9377302 21 O -2.2772848 -0.5506884 -0.3796879 -0.5343360 -1.8293207 -0.3942017 -0.1832925 -0.3466652 -2.3106239 22 O -1.7527862 0.5272214 -0.3756023 0.6194456 -1.9044334 -0.0360968 -0.4193488 -0.0267251 -2.3058551 23 O -2.0503291 -0.6857066 -0.3645437 -0.7261430 -1.9292763 -0.0242248 -0.5292207 -0.0689845 -2.4458507 24 O -2.2509802 0.0910706 0.4797176 0.0695381 -2.5913089 0.2947189 0.5326729 0.2255100 -1.5330711 25 O -2.2509802 -0.0910706 0.4797176 -0.0695381 -2.5913089 -0.2947189 0.5326729 -0.2255100 -1.5330711 26 O -2.0503291 0.6857066 -0.3645437 0.7261430 -1.9292763 0.0242248 -0.5292207 0.0689845 -2.4458507 27 O -1.7527862 -0.5272214 -0.3756023 -0.6194456 -1.9044334 0.0360968 -0.4193488 0.0267251 -2.3058551 28 O -2.2772848 0.5506884 -0.3796879 0.5343360 -1.8293207 0.3942017 -0.1832925 0.3466652 -2.3106239 29 O -2.4141723 -0.5348624 0.0936900 -0.5380567 -2.2252077 0.0964064 0.1107569 0.2106091 -1.9377302 30 O -2.2644767 0.1218575 0.1112268 0.2215796 -2.1691220 0.2073326 0.0463520 0.1869654 -2.0323052 31 O -2.2644767 0.1218575 -0.1112268 0.2215796 -2.1691220 -0.2073326 -0.0463520 -0.1869654 -2.0323052 32 O -2.4141723 -0.5348624 -0.0936900 -0.5380567 -2.2252077 -0.0964064 -0.1107569 -0.2106091 -1.9377302 33 O -2.2772848 0.5506884 0.3796879 0.5343360 -1.8293207 -0.3942017 0.1832925 -0.3466652 -2.3106239 34 O -1.7527862 -0.5272214 0.3756023 -0.6194456 -1.9044334 -0.0360968 0.4193488 -0.0267251 -2.3058551 35 O -2.0503291 0.6857066 0.3645437 0.7261430 -1.9292763 -0.0242248 0.5292207 -0.0689845 -2.4458507 36 O -2.2509802 -0.0910706 -0.4797176 -0.0695381 -2.5913089 0.2947189 -0.5326729 0.2255100 -1.5330711 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 10 6 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.54, Number of G-points: 291, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.209 ( 0.000 0.000 0.000) 0.000 2.242 ( 0.000 0.000 0.000) 0.000 2.485 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.710 ( 0.000 0.000 0.000) 0.000 2.886 ( 0.000 0.000 0.000) 0.000 2.906 ( 0.000 0.000 0.000) 0.000 3.107 ( 0.000 0.000 0.000) 0.000 3.180 ( 0.000 0.000 0.000) 0.000 3.187 ( 0.000 0.000 0.000) 0.000 3.329 ( 0.000 0.000 0.000) 0.000 3.378 ( 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 3.746 ( 0.000 0.000 0.000) 0.000 3.951 ( 0.000 0.000 0.000) 0.000 4.125 ( 0.000 0.000 0.000) 0.000 4.170 ( 0.000 0.000 0.000) 0.000 4.548 ( 0.000 0.000 0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 4.630 ( 0.000 0.000 0.000) 0.000 4.734 ( 0.000 0.000 0.000) 0.000 4.966 ( 0.000 0.000 0.000) 0.000 4.978 ( 0.000 0.000 0.000) 0.000 5.068 ( 0.000 0.000 0.000) 0.000 5.219 ( 0.000 0.000 0.000) 0.000 5.318 ( 0.000 0.000 0.000) 0.000 5.476 ( 0.000 0.000 0.000) 0.000 5.541 ( 0.000 0.000 0.000) 0.000 5.567 ( 0.000 0.000 0.000) 0.000 5.578 ( 0.000 0.000 0.000) 0.000 5.849 ( 0.000 0.000 0.000) 0.000 5.930 ( 0.000 0.000 0.000) 0.000 6.121 ( 0.000 0.000 0.000) 0.000 6.166 ( 0.000 0.000 0.000) 0.000 6.326 ( 0.000 0.000 0.000) 0.000 6.356 ( 0.000 0.000 0.000) 0.000 7.281 ( 0.000 0.000 0.000) 0.000 7.439 ( 0.000 0.000 0.000) 0.000 7.750 ( 0.000 0.000 0.000) 0.000 7.769 ( 0.000 0.000 0.000) 0.000 7.840 ( 0.000 0.000 0.000) 0.000 8.007 ( 0.000 0.000 0.000) 0.000 8.076 ( 0.000 0.000 0.000) 0.000 8.283 ( 0.000 0.000 0.000) 0.000 8.772 ( 0.000 0.000 0.000) 0.000 8.775 ( 0.000 0.000 0.000) 0.000 9.100 ( 0.000 0.000 0.000) 0.000 9.159 ( 0.000 0.000 0.000) 0.000 9.466 ( 0.000 0.000 0.000) 0.000 9.607 ( 0.000 0.000 0.000) 0.000 9.619 ( 0.000 0.000 0.000) 0.000 9.765 ( 0.000 0.000 0.000) 0.000 10.029 ( 0.000 0.000 0.000) 0.000 10.072 ( 0.000 0.000 0.000) 0.000 10.148 ( 0.000 0.000 0.000) 0.000 10.284 ( 0.000 0.000 0.000) 0.000 10.516 ( 0.000 0.000 0.000) 0.000 10.747 ( 0.000 0.000 0.000) 0.000 11.228 ( 0.000 0.000 0.000) 0.000 11.414 ( 0.000 0.000 0.000) 0.000 12.066 ( 0.000 0.000 0.000) 0.000 12.324 ( 0.000 0.000 0.000) 0.000 12.571 ( 0.000 0.000 0.000) 0.000 12.639 ( 0.000 0.000 0.000) 0.000 12.709 ( 0.000 0.000 0.000) 0.000 13.405 ( 0.000 0.000 0.000) 0.000 13.615 ( 0.000 0.000 0.000) 0.000 13.807 ( 0.000 0.000 0.000) 0.000 13.997 ( 0.000 0.000 0.000) 0.000 14.388 ( 0.000 0.000 0.000) 0.000 14.526 ( 0.000 0.000 0.000) 0.000 14.890 ( 0.000 0.000 0.000) 0.000 14.966 ( 0.000 0.000 0.000) 0.000 15.199 ( 0.000 0.000 0.000) 0.000 15.275 ( 0.000 0.000 0.000) 0.000 15.733 ( 0.000 0.000 0.000) 0.000 15.992 ( 0.000 0.000 0.000) 0.000 16.335 ( 0.000 0.000 0.000) 0.000 16.668 ( 0.000 0.000 0.000) 0.000 16.788 ( 0.000 0.000 0.000) 0.000 16.955 ( 0.000 0.000 0.000) 0.000 17.127 ( 0.000 0.000 0.000) 0.000 17.581 ( 0.000 0.000 0.000) 0.000 17.763 ( 0.000 0.000 0.000) 0.000 17.828 ( 0.000 0.000 0.000) 0.000 18.350 ( 0.000 0.000 0.000) 0.000 18.450 ( 0.000 0.000 0.000) 0.000 18.515 ( 0.000 0.000 0.000) 0.000 18.909 ( 0.000 0.000 0.000) 0.000 19.084 ( 0.000 0.000 0.000) 0.000 19.087 ( 0.000 0.000 0.000) 0.000 19.133 ( 0.000 0.000 0.000) 0.000 19.498 ( 0.000 0.000 0.000) 0.000 19.538 ( 0.000 0.000 0.000) 0.000 19.994 ( 0.000 0.000 0.000) 0.000 20.349 ( 0.000 0.000 0.000) 0.000 20.392 ( 0.000 0.000 0.000) 0.000 20.656 ( 0.000 0.000 0.000) 0.000 20.949 ( 0.000 0.000 0.000) 0.000 21.262 ( 0.000 0.000 0.000) 0.000 21.533 ( 0.000 0.000 0.000) 0.000 21.784 ( 0.000 0.000 0.000) 0.000 21.909 ( 0.000 0.000 0.000) 0.000 22.515 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 29.630 0.000 0.000) 29.630 0.594 ( 29.548 0.000 0.000) 29.548 1.065 ( 54.371 0.000 0.000) 54.371 2.250 ( 0.826 0.000 0.000) 0.826 2.283 ( 7.167 0.000 0.000) 7.167 2.468 ( -2.052 0.000 0.000) 2.052 2.635 ( 5.553 0.000 0.000) 5.553 2.755 ( 4.196 0.000 0.000) 4.196 2.900 ( 1.772 0.000 0.000) 1.772 2.944 ( 3.445 0.000 0.000) 3.445 3.054 ( -4.550 0.000 0.000) 4.550 3.182 ( 0.094 0.000 0.000) 0.094 3.209 ( 1.438 0.000 0.000) 1.438 3.287 ( -3.214 0.000 0.000) 3.214 3.392 ( 0.059 0.000 0.000) 0.059 3.521 ( -2.875 0.000 0.000) 2.875 3.541 ( -1.858 0.000 0.000) 1.858 3.701 ( -4.488 0.000 0.000) 4.488 3.990 ( -1.350 0.000 0.000) 1.350 4.082 ( -4.722 0.000 0.000) 4.722 4.121 ( -4.798 0.000 0.000) 4.798 4.465 ( -4.925 0.000 0.000) 4.925 4.598 ( 1.365 0.000 0.000) 1.365 4.618 ( -1.355 0.000 0.000) 1.355 4.811 ( 4.616 0.000 0.000) 4.616 4.838 ( -8.766 0.000 0.000) 8.766 4.957 ( -2.253 0.000 0.000) 2.253 5.161 ( 6.235 0.000 0.000) 6.235 5.215 ( 0.170 0.000 0.000) 0.170 5.336 ( 1.703 0.000 0.000) 1.703 5.353 ( -7.882 0.000 0.000) 7.882 5.615 ( 3.528 0.000 0.000) 3.528 5.693 ( 6.886 0.000 0.000) 6.886 5.898 ( 4.935 0.000 0.000) 4.935 5.926 ( -1.092 0.000 0.000) 1.092 6.054 ( 1.237 0.000 0.000) 1.237 6.111 ( -0.641 0.000 0.000) 0.641 6.209 ( 3.028 0.000 0.000) 3.028 6.329 ( 0.178 0.000 0.000) 0.178 6.737 ( -5.612 0.000 0.000) 5.612 7.267 ( -0.741 0.000 0.000) 0.741 7.465 ( 2.174 0.000 0.000) 2.174 7.698 ( -5.535 0.000 0.000) 5.535 7.760 ( -0.635 0.000 0.000) 0.635 7.854 ( 1.274 0.000 0.000) 1.274 7.942 ( -4.093 0.000 0.000) 4.093 8.104 ( 1.376 0.000 0.000) 1.376 8.365 ( 5.379 0.000 0.000) 5.379 8.677 ( -6.952 0.000 0.000) 6.952 8.692 ( -7.725 0.000 0.000) 7.725 9.115 ( 0.862 0.000 0.000) 0.862 9.199 ( 0.890 0.000 0.000) 0.890 9.495 ( 2.898 0.000 0.000) 2.898 9.588 ( -2.291 0.000 0.000) 2.291 9.730 ( -2.078 0.000 0.000) 2.078 9.740 ( -3.393 0.000 0.000) 3.393 10.060 ( -1.778 0.000 0.000) 1.778 10.078 ( 4.617 0.000 0.000) 4.617 10.194 ( 6.332 0.000 0.000) 6.332 10.521 ( 1.917 0.000 0.000) 1.917 10.645 ( 11.242 0.000 0.000) 11.242 10.812 ( 6.203 0.000 0.000) 6.203 11.455 ( 4.054 0.000 0.000) 4.054 11.711 ( 2.031 0.000 0.000) 2.031 12.080 ( 1.517 0.000 0.000) 1.517 12.333 ( 0.876 0.000 0.000) 0.876 12.567 ( -0.153 0.000 0.000) 0.153 12.717 ( -1.792 0.000 0.000) 1.792 12.750 ( 4.157 0.000 0.000) 4.157 13.582 ( -3.917 0.000 0.000) 3.917 13.760 ( -3.977 0.000 0.000) 3.977 14.045 ( 4.704 0.000 0.000) 4.704 14.142 ( -2.115 0.000 0.000) 2.115 14.389 ( -0.128 0.000 0.000) 0.128 14.517 ( -1.008 0.000 0.000) 1.008 14.846 ( -4.245 0.000 0.000) 4.245 15.129 ( -6.759 0.000 0.000) 6.759 15.275 ( 0.019 0.000 0.000) 0.019 15.553 ( -9.589 0.000 0.000) 9.589 15.974 ( 10.772 0.000 0.000) 10.772 16.300 ( 2.441 0.000 0.000) 2.441 16.477 ( -11.627 0.000 0.000) 11.627 16.630 ( -3.877 0.000 0.000) 3.877 16.938 ( 10.655 0.000 0.000) 10.655 17.138 ( 1.522 0.000 0.000) 1.522 17.491 ( 2.133 0.000 0.000) 2.133 17.565 ( -0.943 0.000 0.000) 0.943 17.751 ( -1.184 0.000 0.000) 1.184 17.845 ( -3.120 0.000 0.000) 3.120 18.380 ( 2.365 0.000 0.000) 2.365 18.532 ( 7.417 0.000 0.000) 7.417 18.550 ( 3.358 0.000 0.000) 3.358 18.909 ( -0.041 0.000 0.000) 0.041 19.077 ( -1.048 0.000 0.000) 1.048 19.148 ( 0.433 0.000 0.000) 0.433 19.493 ( -0.634 0.000 0.000) 0.634 19.526 ( -1.097 0.000 0.000) 1.097 19.991 ( 1.652 0.000 0.000) 1.652 20.319 ( -7.648 0.000 0.000) 7.648 20.389 ( 3.560 0.000 0.000) 3.560 20.689 ( 3.093 0.000 0.000) 3.093 20.715 ( -0.206 0.000 0.000) 0.206 21.074 ( -4.406 0.000 0.000) 4.406 21.525 ( -0.672 0.000 0.000) 0.672 21.587 ( -4.313 0.000 0.000) 4.313 21.822 ( 2.782 0.000 0.000) 2.782 21.924 ( 1.442 0.000 0.000) 1.442 22.644 ( -4.487 0.000 0.000) 4.487 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 27.008 0.000 0.000) 27.008 1.149 ( 28.404 0.000 0.000) 28.404 2.043 ( 45.636 0.000 0.000) 45.636 2.272 ( 1.922 0.000 0.000) 1.922 2.391 ( -5.809 0.000 0.000) 5.809 2.450 ( 9.454 0.000 0.000) 9.454 2.726 ( 2.493 0.000 0.000) 2.493 2.833 ( 3.388 0.000 0.000) 3.388 2.950 ( -5.316 0.000 0.000) 5.316 2.972 ( 5.054 0.000 0.000) 5.054 3.017 ( 2.752 0.000 0.000) 2.752 3.175 ( -1.136 0.000 0.000) 1.136 3.207 ( -2.878 0.000 0.000) 2.878 3.240 ( -0.555 0.000 0.000) 0.555 3.369 ( -2.668 0.000 0.000) 2.668 3.428 ( -6.976 0.000 0.000) 6.976 3.530 ( 2.121 0.000 0.000) 2.121 3.592 ( -6.132 0.000 0.000) 6.132 3.944 ( -6.419 0.000 0.000) 6.419 3.955 ( -5.089 0.000 0.000) 5.089 4.017 ( -4.896 0.000 0.000) 4.896 4.378 ( -3.869 0.000 0.000) 3.869 4.565 ( -3.961 0.000 0.000) 3.961 4.619 ( 0.747 0.000 0.000) 0.747 4.701 ( -4.636 0.000 0.000) 4.636 4.914 ( 5.784 0.000 0.000) 5.784 4.937 ( 0.279 0.000 0.000) 0.279 5.187 ( -1.398 0.000 0.000) 1.398 5.219 ( -5.609 0.000 0.000) 5.609 5.288 ( 4.584 0.000 0.000) 4.584 5.375 ( 2.343 0.000 0.000) 2.343 5.662 ( 1.042 0.000 0.000) 1.042 5.777 ( 1.083 0.000 0.000) 1.083 5.902 ( -0.217 0.000 0.000) 0.217 6.017 ( 6.600 0.000 0.000) 6.600 6.111 ( 0.895 0.000 0.000) 0.895 6.139 ( 6.806 0.000 0.000) 6.806 6.253 ( 1.284 0.000 0.000) 1.284 6.333 ( 0.598 0.000 0.000) 0.598 6.593 ( -8.779 0.000 0.000) 8.779 7.272 ( 1.392 0.000 0.000) 1.392 7.510 ( 2.491 0.000 0.000) 2.491 7.565 ( -7.251 0.000 0.000) 7.251 7.755 ( 0.135 0.000 0.000) 0.135 7.875 ( 0.504 0.000 0.000) 0.504 7.876 ( -3.223 0.000 0.000) 3.223 8.142 ( 2.538 0.000 0.000) 2.538 8.390 ( -3.642 0.000 0.000) 3.642 8.515 ( -10.233 0.000 0.000) 10.233 8.601 ( -0.344 0.000 0.000) 0.344 9.114 ( -1.200 0.000 0.000) 1.200 9.149 ( -5.155 0.000 0.000) 5.155 9.533 ( -2.344 0.000 0.000) 2.344 9.542 ( 1.007 0.000 0.000) 1.007 9.676 ( -3.476 0.000 0.000) 3.476 9.710 ( -0.128 0.000 0.000) 0.128 10.078 ( 4.063 0.000 0.000) 4.063 10.186 ( 6.116 0.000 0.000) 6.116 10.342 ( 8.216 0.000 0.000) 8.216 10.568 ( 2.832 0.000 0.000) 2.832 10.877 ( 11.829 0.000 0.000) 11.829 10.951 ( 7.492 0.000 0.000) 7.492 11.554 ( 5.834 0.000 0.000) 5.834 11.761 ( 2.914 0.000 0.000) 2.914 12.127 ( 3.423 0.000 0.000) 3.423 12.357 ( 1.771 0.000 0.000) 1.771 12.586 ( 2.771 0.000 0.000) 2.771 12.668 ( -3.196 0.000 0.000) 3.196 12.859 ( 6.731 0.000 0.000) 6.731 13.438 ( -10.905 0.000 0.000) 10.905 13.714 ( -0.034 0.000 0.000) 0.034 14.089 ( -3.188 0.000 0.000) 3.188 14.155 ( 6.138 0.000 0.000) 6.138 14.370 ( -2.201 0.000 0.000) 2.201 14.485 ( -2.346 0.000 0.000) 2.346 14.747 ( -5.605 0.000 0.000) 5.605 14.984 ( -6.935 0.000 0.000) 6.935 15.277 ( 0.329 0.000 0.000) 0.329 15.378 ( -9.075 0.000 0.000) 9.075 16.127 ( -0.327 0.000 0.000) 0.327 16.232 ( -4.952 0.000 0.000) 4.952 16.410 ( 5.705 0.000 0.000) 5.705 16.537 ( -5.085 0.000 0.000) 5.085 17.162 ( 12.685 0.000 0.000) 12.685 17.181 ( 2.191 0.000 0.000) 2.191 17.542 ( 2.935 0.000 0.000) 2.935 17.551 ( -1.060 0.000 0.000) 1.060 17.747 ( 2.005 0.000 0.000) 2.005 17.801 ( -0.945 0.000 0.000) 0.945 18.410 ( 0.125 0.000 0.000) 0.125 18.627 ( 4.337 0.000 0.000) 4.337 18.683 ( 7.203 0.000 0.000) 7.203 18.900 ( -1.148 0.000 0.000) 1.148 19.046 ( -2.077 0.000 0.000) 2.077 19.108 ( -4.611 0.000 0.000) 4.611 19.484 ( 0.327 0.000 0.000) 0.327 19.506 ( -0.872 0.000 0.000) 0.872 20.102 ( 9.281 0.000 0.000) 9.281 20.107 ( -14.121 0.000 0.000) 14.121 20.469 ( 4.763 0.000 0.000) 4.763 20.710 ( -0.365 0.000 0.000) 0.365 20.757 ( 3.659 0.000 0.000) 3.659 20.984 ( -4.619 0.000 0.000) 4.619 21.480 ( -6.804 0.000 0.000) 6.804 21.520 ( 0.435 0.000 0.000) 0.435 21.858 ( 0.531 0.000 0.000) 0.531 21.956 ( 1.692 0.000 0.000) 1.692 22.530 ( -6.954 0.000 0.000) 6.954 ======================= Grid point 3 (4/72) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 21.748 0.000 0.000) 21.748 1.672 ( 26.032 0.000 0.000) 26.032 2.182 ( -9.695 0.000 0.000) 9.695 2.341 ( 3.016 0.000 0.000) 3.016 2.611 ( 5.569 0.000 0.000) 5.569 2.728 ( -0.293 0.000 0.000) 0.293 2.729 ( 15.599 0.000 0.000) 15.599 2.839 ( -6.193 0.000 0.000) 6.193 2.881 ( -1.140 0.000 0.000) 1.140 2.964 ( -5.439 0.000 0.000) 5.439 3.037 ( -3.032 0.000 0.000) 3.032 3.144 ( -2.529 0.000 0.000) 2.529 3.202 ( -1.614 0.000 0.000) 1.614 3.234 ( 8.291 0.000 0.000) 8.291 3.324 ( 1.488 0.000 0.000) 1.488 3.333 ( 0.115 0.000 0.000) 0.115 3.489 ( -4.306 0.000 0.000) 4.306 3.618 ( 4.037 0.000 0.000) 4.037 3.818 ( -1.412 0.000 0.000) 1.412 3.876 ( -3.923 0.000 0.000) 3.923 3.971 ( 0.357 0.000 0.000) 0.357 4.330 ( -0.926 0.000 0.000) 0.926 4.509 ( -1.600 0.000 0.000) 1.600 4.614 ( -1.375 0.000 0.000) 1.375 4.627 ( -4.090 0.000 0.000) 4.090 4.949 ( -0.198 0.000 0.000) 0.198 5.020 ( 4.731 0.000 0.000) 4.731 5.152 ( -1.581 0.000 0.000) 1.581 5.157 ( -0.367 0.000 0.000) 0.367 5.350 ( 2.018 0.000 0.000) 2.018 5.426 ( 2.981 0.000 0.000) 2.981 5.650 ( -1.906 0.000 0.000) 1.906 5.753 ( -2.651 0.000 0.000) 2.651 5.908 ( -0.327 0.000 0.000) 0.327 6.111 ( 2.062 0.000 0.000) 2.062 6.146 ( 3.320 0.000 0.000) 3.320 6.234 ( -1.583 0.000 0.000) 1.583 6.291 ( 6.275 0.000 0.000) 6.275 6.370 ( 3.243 0.000 0.000) 3.243 6.435 ( -6.740 0.000 0.000) 6.740 7.313 ( 2.527 0.000 0.000) 2.527 7.449 ( -4.576 0.000 0.000) 4.576 7.560 ( 2.643 0.000 0.000) 2.643 7.744 ( -2.590 0.000 0.000) 2.590 7.830 ( -0.192 0.000 0.000) 0.192 7.870 ( -0.663 0.000 0.000) 0.663 8.198 ( 2.827 0.000 0.000) 2.827 8.281 ( -6.576 0.000 0.000) 6.576 8.321 ( -8.998 0.000 0.000) 8.998 8.598 ( -1.315 0.000 0.000) 1.315 9.048 ( -4.650 0.000 0.000) 4.650 9.071 ( -2.959 0.000 0.000) 2.959 9.524 ( -2.256 0.000 0.000) 2.256 9.528 ( 1.977 0.000 0.000) 1.977 9.605 ( -3.823 0.000 0.000) 3.823 9.727 ( 1.423 0.000 0.000) 1.423 10.181 ( 5.824 0.000 0.000) 5.824 10.291 ( 4.494 0.000 0.000) 4.494 10.488 ( 6.767 0.000 0.000) 6.767 10.620 ( 2.410 0.000 0.000) 2.410 11.066 ( 7.455 0.000 0.000) 7.455 11.079 ( 5.590 0.000 0.000) 5.590 11.661 ( 4.990 0.000 0.000) 4.990 11.808 ( 1.642 0.000 0.000) 1.642 12.210 ( 5.059 0.000 0.000) 5.059 12.405 ( 3.277 0.000 0.000) 3.277 12.602 ( -3.336 0.000 0.000) 3.336 12.684 ( 7.207 0.000 0.000) 7.207 12.987 ( 6.114 0.000 0.000) 6.114 13.203 ( -12.663 0.000 0.000) 12.663 13.756 ( 4.184 0.000 0.000) 4.184 14.030 ( -2.742 0.000 0.000) 2.742 14.256 ( 3.601 0.000 0.000) 3.601 14.306 ( -3.491 0.000 0.000) 3.491 14.426 ( -3.977 0.000 0.000) 3.977 14.643 ( -5.141 0.000 0.000) 5.141 14.904 ( -1.238 0.000 0.000) 1.238 15.200 ( -9.343 0.000 0.000) 9.343 15.292 ( 1.383 0.000 0.000) 1.383 15.911 ( -13.746 0.000 0.000) 13.746 16.311 ( 5.359 0.000 0.000) 5.359 16.457 ( -3.042 0.000 0.000) 3.042 16.550 ( 8.426 0.000 0.000) 8.426 17.183 ( -2.785 0.000 0.000) 2.785 17.412 ( 12.860 0.000 0.000) 12.860 17.535 ( 0.429 0.000 0.000) 0.429 17.599 ( 3.013 0.000 0.000) 3.013 17.817 ( 2.743 0.000 0.000) 2.743 17.830 ( 5.387 0.000 0.000) 5.387 18.364 ( -5.111 0.000 0.000) 5.111 18.709 ( 4.062 0.000 0.000) 4.062 18.770 ( 1.260 0.000 0.000) 1.260 18.859 ( -2.885 0.000 0.000) 2.885 19.018 ( -0.182 0.000 0.000) 0.182 19.028 ( -2.001 0.000 0.000) 2.001 19.491 ( -1.140 0.000 0.000) 1.140 19.511 ( 2.132 0.000 0.000) 2.132 19.809 ( -15.820 0.000 0.000) 15.820 20.296 ( 10.093 0.000 0.000) 10.093 20.568 ( 5.319 0.000 0.000) 5.319 20.702 ( -0.405 0.000 0.000) 0.405 20.825 ( 3.608 0.000 0.000) 3.608 20.899 ( -4.527 0.000 0.000) 4.527 21.330 ( -8.646 0.000 0.000) 8.646 21.550 ( 2.802 0.000 0.000) 2.802 21.839 ( -2.283 0.000 0.000) 2.283 21.988 ( 1.841 0.000 0.000) 1.841 22.391 ( -7.448 0.000 0.000) 7.448 ======================= Grid point 4 (5/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 10.332 0.000 0.000) 10.332 2.009 ( -6.509 0.000 0.000) 6.509 2.133 ( 21.748 0.000 0.000) 21.748 2.432 ( 5.611 0.000 0.000) 5.611 2.593 ( -4.057 0.000 0.000) 4.057 2.699 ( -7.061 0.000 0.000) 7.061 2.707 ( -7.568 0.000 0.000) 7.568 2.777 ( -4.046 0.000 0.000) 4.046 2.800 ( 4.250 0.000 0.000) 4.250 2.901 ( -9.478 0.000 0.000) 9.478 2.959 ( -1.507 0.000 0.000) 1.507 3.101 ( 1.829 0.000 0.000) 1.829 3.113 ( -5.766 0.000 0.000) 5.766 3.258 ( -2.151 0.000 0.000) 2.151 3.377 ( 1.945 0.000 0.000) 1.945 3.458 ( 1.928 0.000 0.000) 1.928 3.472 ( -1.114 0.000 0.000) 1.114 3.629 ( -2.431 0.000 0.000) 2.431 3.843 ( 6.278 0.000 0.000) 6.278 4.000 ( 1.225 0.000 0.000) 1.225 4.088 ( 23.486 0.000 0.000) 23.486 4.347 ( 3.091 0.000 0.000) 3.091 4.477 ( -3.043 0.000 0.000) 3.043 4.545 ( -3.320 0.000 0.000) 3.320 4.572 ( -2.696 0.000 0.000) 2.696 4.876 ( -8.571 0.000 0.000) 8.571 5.082 ( 2.276 0.000 0.000) 2.276 5.138 ( -0.421 0.000 0.000) 0.421 5.205 ( 4.268 0.000 0.000) 4.268 5.350 ( -2.428 0.000 0.000) 2.428 5.492 ( 4.062 0.000 0.000) 4.062 5.643 ( 2.727 0.000 0.000) 2.727 5.685 ( -4.588 0.000 0.000) 4.588 5.863 ( -4.565 0.000 0.000) 4.565 6.120 ( 0.017 0.000 0.000) 0.017 6.169 ( -3.395 0.000 0.000) 3.395 6.223 ( 4.059 0.000 0.000) 4.059 6.348 ( -2.983 0.000 0.000) 2.983 6.399 ( 4.127 0.000 0.000) 4.127 6.430 ( 2.297 0.000 0.000) 2.297 7.351 ( 1.117 0.000 0.000) 1.117 7.389 ( -1.993 0.000 0.000) 1.993 7.604 ( 1.765 0.000 0.000) 1.765 7.672 ( -3.589 0.000 0.000) 3.589 7.865 ( 2.729 0.000 0.000) 2.729 7.872 ( 1.344 0.000 0.000) 1.344 8.134 ( -6.403 0.000 0.000) 6.403 8.156 ( -6.227 0.000 0.000) 6.227 8.309 ( 5.136 0.000 0.000) 5.136 8.537 ( -4.904 0.000 0.000) 4.904 8.985 ( -1.833 0.000 0.000) 1.833 9.014 ( -2.739 0.000 0.000) 2.739 9.486 ( -1.130 0.000 0.000) 1.130 9.536 ( -3.221 0.000 0.000) 3.221 9.597 ( 4.645 0.000 0.000) 4.645 9.736 ( -1.003 0.000 0.000) 1.003 10.281 ( 4.388 0.000 0.000) 4.388 10.348 ( 1.349 0.000 0.000) 1.349 10.593 ( 4.161 0.000 0.000) 4.161 10.653 ( 0.830 0.000 0.000) 0.830 11.160 ( 2.857 0.000 0.000) 2.857 11.163 ( 2.967 0.000 0.000) 2.967 11.740 ( 3.336 0.000 0.000) 3.336 11.818 ( -0.563 0.000 0.000) 0.563 12.309 ( 4.980 0.000 0.000) 4.980 12.450 ( -0.536 0.000 0.000) 0.536 12.582 ( 3.207 0.000 0.000) 3.207 12.811 ( 2.367 0.000 0.000) 2.367 13.004 ( -5.061 0.000 0.000) 5.061 13.069 ( 1.825 0.000 0.000) 1.825 13.859 ( 5.893 0.000 0.000) 5.893 13.987 ( -1.854 0.000 0.000) 1.854 14.225 ( -2.153 0.000 0.000) 2.153 14.333 ( -5.468 0.000 0.000) 5.468 14.342 ( 3.984 0.000 0.000) 3.984 14.546 ( -5.355 0.000 0.000) 5.355 14.915 ( 1.573 0.000 0.000) 1.573 15.039 ( -6.787 0.000 0.000) 6.787 15.343 ( 4.384 0.000 0.000) 4.384 15.663 ( -11.831 0.000 0.000) 11.831 16.388 ( 2.519 0.000 0.000) 2.519 16.422 ( -0.814 0.000 0.000) 0.814 16.723 ( 9.488 0.000 0.000) 9.488 17.076 ( -7.803 0.000 0.000) 7.803 17.574 ( 3.053 0.000 0.000) 3.053 17.612 ( 5.086 0.000 0.000) 5.086 17.669 ( 6.513 0.000 0.000) 6.513 17.892 ( -0.117 0.000 0.000) 0.117 17.912 ( 7.099 0.000 0.000) 7.099 18.230 ( -8.182 0.000 0.000) 8.182 18.737 ( -1.730 0.000 0.000) 1.730 18.747 ( -2.411 0.000 0.000) 2.411 18.877 ( 6.515 0.000 0.000) 6.515 19.032 ( 0.712 0.000 0.000) 0.712 19.039 ( 2.398 0.000 0.000) 2.398 19.384 ( -12.106 0.000 0.000) 12.106 19.550 ( 1.639 0.000 0.000) 1.639 19.597 ( -3.943 0.000 0.000) 3.943 20.477 ( 8.886 0.000 0.000) 8.886 20.656 ( 3.545 0.000 0.000) 3.545 20.691 ( -1.034 0.000 0.000) 1.034 20.803 ( -5.551 0.000 0.000) 5.551 20.903 ( 4.772 0.000 0.000) 4.772 21.161 ( -8.654 0.000 0.000) 8.654 21.622 ( 4.485 0.000 0.000) 4.485 21.781 ( -3.539 0.000 0.000) 3.539 22.035 ( 3.322 0.000 0.000) 3.322 22.250 ( -7.198 0.000 0.000) 7.198 ======================= Grid point 5 (6/72) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -0.037 0.000 0.000) 0.037 1.958 ( 0.037 0.000 0.000) 0.037 2.460 ( -8.677 0.000 0.000) 8.677 2.460 ( 8.677 0.000 0.000) 8.677 2.570 ( -3.518 0.000 0.000) 3.518 2.570 ( 3.518 0.000 0.000) 3.518 2.692 ( -4.562 0.000 0.000) 4.562 2.692 ( 4.562 0.000 0.000) 4.562 2.785 ( -1.581 0.000 0.000) 1.581 2.785 ( 1.581 0.000 0.000) 1.581 2.997 ( -5.746 0.000 0.000) 5.746 2.997 ( 5.746 0.000 0.000) 5.746 3.190 ( -4.993 0.000 0.000) 4.993 3.190 ( 4.993 0.000 0.000) 4.993 3.414 ( -2.737 0.000 0.000) 2.737 3.414 ( 2.737 0.000 0.000) 2.737 3.535 ( -5.234 0.000 0.000) 5.234 3.535 ( 5.234 0.000 0.000) 5.234 3.973 ( -4.625 0.000 0.000) 4.625 3.973 ( 4.625 0.000 0.000) 4.625 4.382 ( -5.979 0.000 0.000) 5.979 4.382 ( 5.979 0.000 0.000) 5.979 4.528 ( -0.607 0.000 0.000) 0.607 4.528 ( 0.607 0.000 0.000) 0.607 4.594 ( -19.795 0.000 0.000) 19.795 4.594 ( 19.795 0.000 0.000) 19.795 5.120 ( -1.543 0.000 0.000) 1.543 5.120 ( 1.543 0.000 0.000) 1.543 5.285 ( -3.863 0.000 0.000) 3.863 5.285 ( 3.863 0.000 0.000) 3.863 5.584 ( -5.444 0.000 0.000) 5.444 5.584 ( 5.444 0.000 0.000) 5.444 5.746 ( -6.840 0.000 0.000) 6.840 5.746 ( 6.840 0.000 0.000) 6.840 6.128 ( -1.052 0.000 0.000) 1.052 6.128 ( 1.052 0.000 0.000) 1.052 6.293 ( -3.132 0.000 0.000) 3.132 6.293 ( 3.132 0.000 0.000) 3.132 6.445 ( -0.742 0.000 0.000) 0.742 6.445 ( 0.742 0.000 0.000) 0.742 7.364 ( -0.727 0.000 0.000) 0.727 7.364 ( 0.727 0.000 0.000) 0.727 7.628 ( -1.182 0.000 0.000) 1.182 7.628 ( 1.182 0.000 0.000) 1.182 7.901 ( -0.040 0.000 0.000) 0.040 7.901 ( 0.040 0.000 0.000) 0.040 8.072 ( -1.042 0.000 0.000) 1.042 8.072 ( 1.042 0.000 0.000) 1.042 8.424 ( -6.440 0.000 0.000) 6.440 8.424 ( 6.440 0.000 0.000) 6.440 8.977 ( -0.908 0.000 0.000) 0.908 8.977 ( 0.908 0.000 0.000) 0.908 9.489 ( -1.428 0.000 0.000) 1.428 9.489 ( 1.428 0.000 0.000) 1.428 9.685 ( -4.054 0.000 0.000) 4.054 9.685 ( 4.054 0.000 0.000) 4.054 10.343 ( -1.887 0.000 0.000) 1.887 10.343 ( 1.887 0.000 0.000) 1.887 10.647 ( -1.510 0.000 0.000) 1.510 10.647 ( 1.510 0.000 0.000) 1.510 11.188 ( -0.151 0.000 0.000) 0.151 11.188 ( 0.151 0.000 0.000) 0.151 11.791 ( -2.049 0.000 0.000) 2.049 11.791 ( 2.049 0.000 0.000) 2.049 12.396 ( -4.043 0.000 0.000) 4.043 12.396 ( 4.043 0.000 0.000) 4.043 12.707 ( -8.318 0.000 0.000) 8.318 12.707 ( 8.318 0.000 0.000) 8.318 13.046 ( -3.931 0.000 0.000) 3.931 13.046 ( 3.931 0.000 0.000) 3.931 13.947 ( -2.926 0.000 0.000) 2.926 13.947 ( 2.926 0.000 0.000) 2.926 14.238 ( -3.578 0.000 0.000) 3.578 14.238 ( 3.578 0.000 0.000) 3.578 14.436 ( -5.738 0.000 0.000) 5.738 14.436 ( 5.738 0.000 0.000) 5.738 14.952 ( -2.657 0.000 0.000) 2.657 14.952 ( 2.657 0.000 0.000) 2.657 15.467 ( -8.511 0.000 0.000) 8.511 15.467 ( 8.511 0.000 0.000) 8.511 16.413 ( -0.475 0.000 0.000) 0.475 16.413 ( 0.475 0.000 0.000) 0.475 16.907 ( -9.500 0.000 0.000) 9.500 16.907 ( 9.500 0.000 0.000) 9.500 17.625 ( -1.657 0.000 0.000) 1.657 17.625 ( 1.657 0.000 0.000) 1.657 17.818 ( -6.877 0.000 0.000) 6.877 17.818 ( 6.877 0.000 0.000) 6.877 18.069 ( -8.608 0.000 0.000) 8.608 18.069 ( 8.608 0.000 0.000) 8.608 18.716 ( -0.306 0.000 0.000) 0.306 18.716 ( 0.306 0.000 0.000) 0.306 19.012 ( -4.028 0.000 0.000) 4.028 19.012 ( 4.028 0.000 0.000) 4.028 19.139 ( -10.300 0.000 0.000) 10.300 19.139 ( 10.300 0.000 0.000) 10.300 19.570 ( -0.661 0.000 0.000) 0.661 19.570 ( 0.661 0.000 0.000) 0.661 20.630 ( -6.381 0.000 0.000) 6.381 20.630 ( 6.381 0.000 0.000) 6.381 20.711 ( -3.039 0.000 0.000) 3.039 20.711 ( 3.039 0.000 0.000) 3.039 21.012 ( -6.728 0.000 0.000) 6.728 21.012 ( 6.728 0.000 0.000) 6.728 21.708 ( -4.189 0.000 0.000) 4.189 21.708 ( 4.189 0.000 0.000) 4.189 22.123 ( -5.829 0.000 0.000) 5.829 22.123 ( 5.829 0.000 0.000) 5.829 ======================= Grid point 11 (7/72) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 0.000 27.794 0.000) 27.794 0.569 ( 0.000 30.284 0.000) 30.284 1.000 ( 0.000 52.818 0.000) 52.818 2.122 ( 0.000 -11.558 0.000) 11.558 2.268 ( 0.000 6.251 0.000) 6.251 2.429 ( 0.000 -14.751 0.000) 14.751 2.531 ( 0.000 3.912 0.000) 3.912 2.698 ( 0.000 -0.981 0.000) 0.981 2.886 ( 0.000 -1.482 0.000) 1.482 2.907 ( 0.000 2.547 0.000) 2.547 3.084 ( 0.000 -2.088 0.000) 2.088 3.175 ( 0.000 -1.058 0.000) 1.058 3.259 ( 0.000 -4.381 0.000) 4.381 3.333 ( 0.000 9.804 0.000) 9.804 3.411 ( 0.000 3.039 0.000) 3.039 3.473 ( 0.000 -4.330 0.000) 4.330 3.572 ( 0.000 -0.144 0.000) 0.144 3.788 ( 0.000 1.554 0.000) 1.554 3.955 ( 0.000 0.748 0.000) 0.748 3.983 ( 0.000 -9.738 0.000) 9.738 4.233 ( 0.000 0.548 0.000) 0.548 4.398 ( 0.000 -12.032 0.000) 12.032 4.546 ( 0.000 0.084 0.000) 0.084 4.578 ( 0.000 -6.838 0.000) 6.838 4.798 ( 0.000 2.633 0.000) 2.633 4.999 ( 0.000 5.786 0.000) 5.786 5.087 ( 0.000 0.335 0.000) 0.335 5.196 ( 0.000 3.909 0.000) 3.909 5.245 ( 0.000 4.650 0.000) 4.650 5.490 ( 0.000 1.226 0.000) 1.226 5.496 ( 0.000 -2.237 0.000) 2.237 5.559 ( 0.000 1.805 0.000) 1.805 5.743 ( 0.000 10.123 0.000) 10.123 5.750 ( 0.000 -5.391 0.000) 5.391 5.900 ( 0.000 -2.843 0.000) 2.843 6.108 ( 0.000 -2.911 0.000) 2.911 6.137 ( 0.000 1.846 0.000) 1.846 6.157 ( 0.000 -0.679 0.000) 0.679 6.325 ( 0.000 -3.174 0.000) 3.174 6.449 ( 0.000 -1.773 0.000) 1.773 7.312 ( 0.000 3.284 0.000) 3.284 7.431 ( 0.000 -0.776 0.000) 0.776 7.731 ( 0.000 -2.137 0.000) 2.137 7.789 ( 0.000 1.718 0.000) 1.718 7.844 ( 0.000 0.730 0.000) 0.730 8.035 ( 0.000 2.141 0.000) 2.141 8.058 ( 0.000 -1.949 0.000) 1.949 8.301 ( 0.000 1.610 0.000) 1.610 8.588 ( 0.000 -9.415 0.000) 9.415 8.935 ( 0.000 7.421 0.000) 7.421 9.035 ( 0.000 -6.598 0.000) 6.598 9.156 ( 0.000 -0.914 0.000) 0.914 9.599 ( 0.000 -0.687 0.000) 0.687 9.604 ( 0.000 -1.329 0.000) 1.329 9.667 ( 0.000 -0.065 0.000) 0.065 9.757 ( 0.000 -0.905 0.000) 0.905 9.984 ( 0.000 -1.684 0.000) 1.684 10.128 ( 0.000 3.329 0.000) 3.329 10.147 ( 0.000 -0.353 0.000) 0.353 10.270 ( 0.000 -1.437 0.000) 1.437 10.804 ( 0.000 5.463 0.000) 5.463 10.892 ( 0.000 3.601 0.000) 3.601 11.177 ( 0.000 -4.588 0.000) 4.588 11.404 ( 0.000 -1.924 0.000) 1.924 12.069 ( 0.000 0.667 0.000) 0.667 12.309 ( 0.000 -1.717 0.000) 1.717 12.634 ( 0.000 -0.395 0.000) 0.395 12.687 ( 0.000 -1.741 0.000) 1.741 12.856 ( 0.000 5.403 0.000) 5.403 13.368 ( 0.000 -3.749 0.000) 3.749 13.853 ( 0.000 4.055 0.000) 4.055 14.034 ( 0.000 4.219 0.000) 4.219 14.306 ( 0.000 -5.065 0.000) 5.065 14.502 ( 0.000 -2.903 0.000) 2.903 14.845 ( 0.000 0.494 0.000) 0.494 14.958 ( 0.000 4.990 0.000) 4.990 14.968 ( 0.000 0.024 0.000) 0.024 15.262 ( 0.000 -1.420 0.000) 1.420 15.760 ( 0.000 2.887 0.000) 2.887 15.999 ( 0.000 0.541 0.000) 0.541 16.312 ( 0.000 -2.330 0.000) 2.330 16.345 ( 0.000 -2.622 0.000) 2.622 16.600 ( 0.000 -5.141 0.000) 5.141 16.767 ( 0.000 -2.592 0.000) 2.592 17.034 ( 0.000 6.664 0.000) 6.664 17.168 ( 0.000 0.780 0.000) 0.780 17.562 ( 0.000 -1.758 0.000) 1.758 17.753 ( 0.000 -7.761 0.000) 7.761 17.863 ( 0.000 3.565 0.000) 3.565 18.385 ( 0.000 -5.827 0.000) 5.827 18.405 ( 0.000 5.577 0.000) 5.577 18.644 ( 0.000 8.341 0.000) 8.341 19.054 ( 0.000 -3.099 0.000) 3.099 19.071 ( 0.000 -1.143 0.000) 1.143 19.149 ( 0.000 1.383 0.000) 1.383 19.241 ( 0.000 -0.749 0.000) 0.749 19.556 ( 0.000 2.228 0.000) 2.228 19.962 ( 0.000 -3.338 0.000) 3.338 20.229 ( 0.000 0.218 0.000) 0.218 20.505 ( 0.000 9.759 0.000) 9.759 20.610 ( 0.000 -4.671 0.000) 4.671 20.953 ( 0.000 0.079 0.000) 0.079 21.269 ( 0.000 0.787 0.000) 0.787 21.366 ( 0.000 -0.859 0.000) 0.859 21.549 ( 0.000 1.660 0.000) 1.660 21.765 ( 0.000 -1.983 0.000) 1.983 22.206 ( 0.000 1.359 0.000) 1.359 22.482 ( 0.000 -3.354 0.000) 3.354 ======================= Grid point 12 (8/72) ======================= q-point: ( 0.10 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 19.008 17.850 0.000) 26.076 0.785 ( 21.351 19.262 0.000) 28.756 1.457 ( 36.826 33.667 0.000) 49.895 2.138 ( 1.821 -10.400 0.000) 10.559 2.345 ( 6.303 3.388 0.000) 7.156 2.479 ( 2.756 -6.059 0.000) 6.656 2.521 ( 1.231 -2.184 0.000) 2.507 2.748 ( 4.496 -0.675 0.000) 4.547 2.896 ( 0.692 1.260 0.000) 1.437 2.934 ( 3.197 -2.143 0.000) 3.849 3.049 ( -3.283 -1.242 0.000) 3.510 3.168 ( -0.378 0.632 0.000) 0.736 3.229 ( -2.685 -5.162 0.000) 5.818 3.329 ( -0.427 8.635 0.000) 8.645 3.418 ( -0.222 2.661 0.000) 2.671 3.469 ( 0.346 -4.494 0.000) 4.508 3.546 ( -2.730 1.249 0.000) 3.002 3.743 ( -4.408 1.051 0.000) 4.531 3.958 ( -0.596 -2.890 0.000) 2.951 3.973 ( -1.877 -6.183 0.000) 6.461 4.140 ( -8.032 -1.491 0.000) 8.170 4.410 ( 0.696 -5.525 0.000) 5.569 4.530 ( -1.432 -3.084 0.000) 3.400 4.577 ( -0.430 -5.314 0.000) 5.331 4.787 ( -1.151 -0.760 0.000) 1.380 4.964 ( -3.477 9.073 0.000) 9.716 5.064 ( -4.646 3.900 0.000) 6.066 5.200 ( 4.342 4.538 0.000) 6.280 5.248 ( -0.140 4.461 0.000) 4.463 5.388 ( -5.422 2.939 0.000) 6.167 5.412 ( -3.570 6.360 0.000) 7.294 5.598 ( 5.338 -0.863 0.000) 5.408 5.742 ( 2.170 1.278 0.000) 2.518 5.856 ( 6.245 -0.853 0.000) 6.303 5.923 ( 0.491 -0.944 0.000) 1.064 6.088 ( -1.509 2.021 0.000) 2.522 6.121 ( -1.144 1.063 0.000) 1.562 6.173 ( 3.014 -3.665 0.000) 4.745 6.319 ( 0.196 -1.116 0.000) 1.133 6.569 ( 1.923 -12.126 0.000) 12.278 7.285 ( -1.674 1.934 0.000) 2.558 7.466 ( 2.496 -0.134 0.000) 2.499 7.687 ( -4.361 -0.977 0.000) 4.469 7.772 ( -1.282 1.087 0.000) 1.681 7.858 ( 1.086 0.613 0.000) 1.247 7.978 ( -3.487 3.254 0.000) 4.770 8.085 ( 1.896 -1.702 0.000) 2.548 8.372 ( 5.043 0.521 0.000) 5.070 8.520 ( -5.921 -8.561 0.000) 10.409 8.818 ( -9.203 6.019 0.000) 10.997 8.994 ( -2.832 -8.332 0.000) 8.800 9.162 ( -0.637 -4.088 0.000) 4.137 9.471 ( -0.494 0.087 0.000) 0.502 9.664 ( -1.925 -1.266 0.000) 2.304 9.702 ( 3.205 2.814 0.000) 4.265 9.778 ( -1.543 1.720 0.000) 2.310 10.046 ( 6.101 -1.280 0.000) 6.234 10.095 ( -1.909 2.808 0.000) 3.396 10.231 ( 5.295 1.260 0.000) 5.443 10.389 ( 8.282 -6.892 0.000) 10.775 10.825 ( 2.706 10.441 0.000) 10.786 10.865 ( 5.809 5.252 0.000) 7.832 11.414 ( 6.982 -5.998 0.000) 9.204 11.512 ( 12.047 -10.213 0.000) 15.793 12.081 ( 1.354 0.420 0.000) 1.417 12.308 ( 0.284 -2.221 0.000) 2.239 12.623 ( -0.730 2.043 0.000) 2.169 12.700 ( -0.061 -2.128 0.000) 2.129 12.837 ( 1.022 8.579 0.000) 8.640 13.437 ( 3.582 -8.044 0.000) 8.806 13.785 ( -5.815 2.350 0.000) 6.272 14.019 ( -1.731 0.645 0.000) 1.848 14.257 ( -4.988 -0.503 0.000) 5.013 14.433 ( -3.166 0.808 0.000) 3.268 14.614 ( -6.357 10.883 0.000) 12.603 14.861 ( -4.786 1.448 0.000) 5.000 15.085 ( -1.986 -2.492 0.000) 3.187 15.251 ( -0.917 -1.944 0.000) 2.149 15.644 ( -10.158 6.809 0.000) 12.229 16.009 ( 7.077 2.816 0.000) 7.616 16.274 ( 2.774 -3.380 0.000) 4.372 16.387 ( -8.337 -5.865 0.000) 10.193 16.613 ( -1.307 -2.586 0.000) 2.898 16.872 ( 7.533 -6.105 0.000) 9.697 17.184 ( 2.701 2.914 0.000) 3.973 17.267 ( 13.266 -7.447 0.000) 15.214 17.564 ( 0.850 -1.583 0.000) 1.796 17.779 ( 0.482 -2.715 0.000) 2.758 17.881 ( 1.007 4.510 0.000) 4.621 18.412 ( 1.117 0.995 0.000) 1.496 18.447 ( 5.038 -3.283 0.000) 6.013 18.670 ( 2.680 6.512 0.000) 7.042 18.940 ( -5.233 1.779 0.000) 5.527 19.051 ( -2.917 -1.095 0.000) 3.116 19.115 ( 0.453 -3.066 0.000) 3.100 19.355 ( 3.141 -7.897 0.000) 8.498 19.567 ( 1.015 4.135 0.000) 4.258 19.962 ( 1.697 -1.985 0.000) 2.612 20.232 ( -1.866 -2.241 0.000) 2.916 20.509 ( 0.214 8.638 0.000) 8.641 20.620 ( 1.458 -4.695 0.000) 4.916 20.884 ( -3.891 6.244 0.000) 7.358 21.129 ( -6.999 4.741 0.000) 8.454 21.445 ( 0.691 -6.680 0.000) 6.716 21.565 ( 0.311 0.849 0.000) 0.904 21.767 ( 0.977 -2.675 0.000) 2.848 22.090 ( -4.152 8.667 0.000) 9.611 22.550 ( 0.127 -7.096 0.000) 7.097 ======================= Grid point 13 (9/72) ======================= q-point: ( 0.20 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 26.123 5.625 0.000) 26.722 1.232 ( 23.830 11.591 0.000) 26.499 2.134 ( 19.511 1.761 0.000) 19.590 2.221 ( 15.708 1.405 0.000) 15.771 2.381 ( -4.891 -1.071 0.000) 5.007 2.553 ( 10.722 7.046 0.000) 12.830 2.612 ( 5.045 -8.179 0.000) 9.610 2.813 ( 1.228 0.341 0.000) 1.275 2.935 ( -0.574 -2.243 0.000) 2.315 2.965 ( 1.775 -0.290 0.000) 1.798 3.035 ( 3.474 -1.476 0.000) 3.775 3.144 ( -4.087 -2.198 0.000) 4.641 3.183 ( 0.680 0.464 0.000) 0.824 3.297 ( -2.925 2.540 0.000) 3.874 3.392 ( -1.748 3.745 0.000) 4.133 3.463 ( -5.960 3.317 0.000) 6.821 3.522 ( 4.536 -0.837 0.000) 4.613 3.629 ( -7.141 1.590 0.000) 7.316 3.905 ( -5.494 -3.317 0.000) 6.418 3.920 ( -3.437 -2.348 0.000) 4.163 3.989 ( -5.560 -2.706 0.000) 6.183 4.403 ( -2.270 3.268 0.000) 3.979 4.491 ( -1.188 -9.152 0.000) 9.229 4.580 ( 0.490 -1.840 0.000) 1.905 4.756 ( -1.453 -2.911 0.000) 3.253 4.847 ( -5.871 7.441 0.000) 9.478 5.094 ( 4.489 6.269 0.000) 7.711 5.206 ( -2.856 0.411 0.000) 2.886 5.252 ( -0.487 5.473 0.000) 5.495 5.338 ( 0.277 4.012 0.000) 4.022 5.408 ( 1.952 4.223 0.000) 4.652 5.673 ( 2.031 1.115 0.000) 2.317 5.781 ( 0.645 0.662 0.000) 0.924 5.899 ( -0.343 -0.665 0.000) 0.748 6.001 ( 6.896 -1.663 0.000) 7.094 6.096 ( 0.337 0.001 0.000) 0.337 6.139 ( 4.785 -1.454 0.000) 5.001 6.207 ( 0.540 -4.266 0.000) 4.300 6.326 ( 0.555 -1.008 0.000) 1.151 6.516 ( -5.667 -7.400 0.000) 9.320 7.273 ( 0.611 0.583 0.000) 0.844 7.502 ( 0.870 -1.185 0.000) 1.470 7.595 ( -3.941 2.900 0.000) 4.893 7.756 ( -0.188 0.256 0.000) 0.318 7.859 ( -1.613 -0.392 0.000) 1.660 7.928 ( -1.819 4.190 0.000) 4.568 8.128 ( 2.462 -1.820 0.000) 3.061 8.381 ( -5.464 -1.498 0.000) 5.666 8.431 ( -3.416 -5.094 0.000) 6.133 8.662 ( -5.353 3.793 0.000) 6.560 8.951 ( -1.721 -11.508 0.000) 11.636 9.103 ( -4.869 -6.049 0.000) 7.765 9.496 ( 2.102 0.010 0.000) 2.102 9.619 ( -2.835 2.040 0.000) 3.493 9.715 ( -1.227 2.643 0.000) 2.914 9.766 ( 0.090 5.899 0.000) 5.900 10.098 ( 2.878 1.789 0.000) 3.388 10.176 ( 6.530 -0.529 0.000) 6.551 10.347 ( 6.854 -0.110 0.000) 6.855 10.510 ( 4.837 -5.163 0.000) 7.075 10.966 ( 9.561 7.822 0.000) 12.353 10.996 ( 7.151 4.901 0.000) 8.669 11.531 ( 6.185 -2.492 0.000) 6.668 11.691 ( 6.572 -6.382 0.000) 9.161 12.126 ( 3.450 0.146 0.000) 3.453 12.328 ( 1.892 -2.837 0.000) 3.410 12.623 ( 1.010 2.742 0.000) 2.922 12.676 ( -1.613 0.610 0.000) 1.725 12.913 ( 5.857 6.129 0.000) 8.477 13.426 ( -5.826 -1.412 0.000) 5.995 13.679 ( -3.491 -2.658 0.000) 4.388 13.970 ( -2.782 -8.108 0.000) 8.572 14.224 ( 1.805 2.771 0.000) 3.306 14.407 ( -1.323 1.927 0.000) 2.337 14.529 ( -3.905 5.436 0.000) 6.693 14.756 ( -5.679 0.692 0.000) 5.721 14.992 ( -5.726 1.041 0.000) 5.820 15.229 ( -1.559 -3.450 0.000) 3.786 15.467 ( -8.242 7.442 0.000) 11.105 16.096 ( -5.380 -4.053 0.000) 6.736 16.227 ( -0.613 -0.080 0.000) 0.619 16.360 ( 5.417 -3.622 0.000) 6.516 16.560 ( -2.735 1.841 0.000) 3.297 17.016 ( 6.773 -9.460 0.000) 11.635 17.274 ( 6.917 3.341 0.000) 7.681 17.450 ( 7.135 -3.097 0.000) 7.779 17.602 ( 2.643 0.092 0.000) 2.645 17.740 ( -3.578 2.171 0.000) 4.185 17.907 ( 2.280 7.409 0.000) 7.752 18.420 ( -0.814 0.100 0.000) 0.820 18.552 ( 5.309 -5.062 0.000) 7.335 18.729 ( 2.781 1.961 0.000) 3.402 18.898 ( -0.295 -1.770 0.000) 1.795 18.975 ( -4.182 -2.360 0.000) 4.802 19.115 ( -0.888 -1.257 0.000) 1.539 19.364 ( -0.971 -9.513 0.000) 9.562 19.580 ( 0.220 6.684 0.000) 6.688 20.060 ( 7.593 -2.516 0.000) 7.999 20.125 ( -8.569 1.325 0.000) 8.670 20.521 ( 1.330 3.940 0.000) 4.159 20.664 ( 2.763 -3.455 0.000) 4.424 20.840 ( -1.017 6.392 0.000) 6.472 21.017 ( -4.662 3.032 0.000) 5.562 21.401 ( -4.993 -6.395 0.000) 8.114 21.557 ( -0.006 2.556 0.000) 2.556 21.798 ( 1.558 -3.717 0.000) 4.030 22.052 ( -0.984 6.960 0.000) 7.029 22.488 ( -5.519 -4.190 0.000) 6.929 ======================= Grid point 14 (10/72) ======================= q-point: ( 0.30 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 20.889 7.717 0.000) 22.269 1.677 ( 24.288 1.268 0.000) 24.321 2.180 ( -6.346 -1.321 0.000) 6.482 2.304 ( 2.009 -3.141 0.000) 3.728 2.499 ( 4.830 -6.391 0.000) 8.011 2.680 ( 3.130 -4.819 0.000) 5.746 2.817 ( 1.876 -2.474 0.000) 3.105 2.838 ( -4.191 0.590 0.000) 4.233 2.864 ( 6.765 4.689 0.000) 8.231 2.938 ( -8.372 0.736 0.000) 8.405 3.049 ( -1.598 -0.429 0.000) 1.655 3.136 ( 0.521 -1.469 0.000) 1.559 3.229 ( -3.612 1.004 0.000) 3.749 3.294 ( 6.216 3.098 0.000) 6.945 3.356 ( 2.278 4.189 0.000) 4.769 3.364 ( -1.808 4.878 0.000) 5.202 3.477 ( -4.206 -0.020 0.000) 4.206 3.646 ( 5.356 1.540 0.000) 5.573 3.791 ( -3.629 -2.620 0.000) 4.476 3.879 ( 0.891 0.797 0.000) 1.195 3.938 ( -0.523 -2.306 0.000) 2.364 4.346 ( -2.211 0.900 0.000) 2.387 4.496 ( 0.840 -2.969 0.000) 3.085 4.586 ( 0.003 0.650 0.000) 0.650 4.722 ( -4.466 7.513 0.000) 8.740 4.779 ( 0.185 -9.302 0.000) 9.303 5.097 ( -2.640 1.159 0.000) 2.884 5.209 ( -2.788 4.674 0.000) 5.442 5.253 ( 5.459 6.837 0.000) 8.749 5.349 ( 0.137 0.943 0.000) 0.952 5.456 ( 2.748 3.737 0.000) 4.639 5.673 ( -1.436 2.933 0.000) 3.266 5.765 ( -1.590 1.501 0.000) 2.186 5.891 ( -1.256 -2.065 0.000) 2.417 6.105 ( 0.983 -0.354 0.000) 1.045 6.121 ( 4.832 -2.283 0.000) 5.344 6.197 ( -1.021 -3.534 0.000) 3.678 6.263 ( 6.455 -3.465 0.000) 7.326 6.343 ( 1.156 -2.613 0.000) 2.857 6.405 ( -4.674 -3.111 0.000) 5.615 7.303 ( 2.167 -0.091 0.000) 2.169 7.482 ( -2.110 2.220 0.000) 3.063 7.579 ( 1.548 1.950 0.000) 2.490 7.752 ( -1.467 0.693 0.000) 1.622 7.811 ( -1.838 -1.620 0.000) 2.450 7.893 ( -1.921 2.498 0.000) 3.152 8.162 ( -0.250 -4.364 0.000) 4.372 8.287 ( -8.010 -3.505 0.000) 8.743 8.296 ( -3.353 2.354 0.000) 4.097 8.610 ( -2.013 1.130 0.000) 2.309 8.924 ( -1.238 -10.407 0.000) 10.480 9.010 ( -4.226 -6.127 0.000) 7.443 9.542 ( 2.410 1.359 0.000) 2.767 9.568 ( -1.757 4.245 0.000) 4.594 9.674 ( -3.389 4.770 0.000) 5.852 9.769 ( 0.612 4.380 0.000) 4.423 10.180 ( 4.947 -0.099 0.000) 4.948 10.282 ( 4.323 -0.939 0.000) 4.424 10.478 ( 6.395 -1.177 0.000) 6.502 10.588 ( 3.311 -3.347 0.000) 4.708 11.118 ( 5.474 4.273 0.000) 6.944 11.128 ( 6.397 6.194 0.000) 8.905 11.641 ( 5.047 -2.058 0.000) 5.450 11.776 ( 2.425 -3.394 0.000) 4.171 12.212 ( 5.303 0.359 0.000) 5.315 12.382 ( 3.672 -2.358 0.000) 4.364 12.609 ( -2.403 1.260 0.000) 2.714 12.714 ( 5.429 1.968 0.000) 5.775 13.026 ( 5.025 4.390 0.000) 6.672 13.243 ( -10.848 4.170 0.000) 11.622 13.679 ( 2.829 -7.238 0.000) 7.771 13.925 ( -2.014 -9.502 0.000) 9.713 14.279 ( 2.874 1.043 0.000) 3.058 14.353 ( -3.897 4.417 0.000) 5.891 14.465 ( -2.694 3.749 0.000) 4.616 14.653 ( -5.137 0.825 0.000) 5.202 14.917 ( -1.482 1.502 0.000) 2.111 15.172 ( -5.025 -2.684 0.000) 5.697 15.342 ( -3.849 5.016 0.000) 6.323 15.870 ( -13.360 -4.237 0.000) 14.015 16.314 ( 5.190 0.270 0.000) 5.197 16.427 ( 0.626 -2.850 0.000) 2.918 16.578 ( 5.580 2.940 0.000) 6.307 17.090 ( 0.359 -8.164 0.000) 8.172 17.441 ( 9.609 1.682 0.000) 9.755 17.568 ( 5.391 -1.144 0.000) 5.511 17.615 ( -1.555 5.346 0.000) 5.568 17.723 ( 2.837 -2.719 0.000) 3.930 17.975 ( 4.593 8.645 0.000) 9.790 18.366 ( -4.789 -0.139 0.000) 4.791 18.639 ( 3.606 -6.601 0.000) 7.521 18.755 ( -0.148 -0.468 0.000) 0.491 18.903 ( 0.954 -6.152 0.000) 6.225 18.924 ( -1.226 3.085 0.000) 3.320 19.080 ( -2.244 1.667 0.000) 2.796 19.333 ( -2.763 -11.704 0.000) 12.026 19.591 ( 1.253 6.929 0.000) 7.041 19.922 ( -10.579 8.919 0.000) 13.837 20.230 ( 8.560 -6.013 0.000) 10.461 20.556 ( 1.919 -2.069 0.000) 2.822 20.714 ( 2.356 -0.403 0.000) 2.390 20.834 ( 0.210 3.947 0.000) 3.953 20.948 ( -2.656 3.154 0.000) 4.123 21.271 ( -7.970 -5.703 0.000) 9.801 21.584 ( 2.770 3.196 0.000) 4.229 21.812 ( -0.236 -2.214 0.000) 2.227 22.036 ( -0.572 4.255 0.000) 4.294 22.366 ( -6.875 -2.596 0.000) 7.349 ======================= Grid point 15 (11/72) ======================= q-point: ( 0.40 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 8.939 5.578 0.000) 10.537 2.033 ( -4.098 2.335 0.000) 4.716 2.129 ( 19.883 -0.503 0.000) 19.890 2.387 ( 4.914 -4.216 0.000) 6.475 2.532 ( 0.477 -4.093 0.000) 4.121 2.699 ( -3.030 -1.929 0.000) 3.592 2.720 ( -7.931 0.902 0.000) 7.982 2.749 ( -1.721 -0.287 0.000) 1.745 2.855 ( -1.458 2.026 0.000) 2.496 2.909 ( -2.871 1.780 0.000) 3.378 2.969 ( -3.899 1.266 0.000) 4.099 3.088 ( -2.533 0.052 0.000) 2.534 3.132 ( -6.667 1.439 0.000) 6.820 3.236 ( -5.211 -3.804 0.000) 6.452 3.374 ( 3.412 -0.424 0.000) 3.438 3.417 ( 2.812 0.860 0.000) 2.940 3.563 ( 1.340 5.701 0.000) 5.856 3.628 ( -5.179 -0.791 0.000) 5.239 3.830 ( 5.875 -1.436 0.000) 6.048 3.949 ( 0.864 -4.744 0.000) 4.822 4.121 ( 22.599 2.952 0.000) 22.791 4.340 ( 1.561 -0.013 0.000) 1.561 4.492 ( -2.076 -0.220 0.000) 2.087 4.577 ( -0.803 3.328 0.000) 3.423 4.624 ( -4.268 6.437 0.000) 7.723 4.771 ( -3.902 -8.601 0.000) 9.444 5.066 ( 0.312 -0.979 0.000) 1.027 5.163 ( -2.220 2.274 0.000) 3.178 5.306 ( -0.722 2.384 0.000) 2.491 5.332 ( -1.522 3.466 0.000) 3.785 5.527 ( 5.225 2.496 0.000) 5.791 5.668 ( 1.430 3.474 0.000) 3.757 5.728 ( -2.191 4.126 0.000) 4.672 5.838 ( -4.112 -2.112 0.000) 4.623 6.116 ( 0.489 -0.185 0.000) 0.523 6.160 ( -1.780 -0.922 0.000) 2.004 6.205 ( 3.340 -1.843 0.000) 3.814 6.313 ( -2.453 -3.919 0.000) 4.623 6.369 ( 3.649 -3.221 0.000) 4.868 6.397 ( 1.776 -3.269 0.000) 3.720 7.347 ( 2.328 0.878 0.000) 2.488 7.441 ( -2.342 4.577 0.000) 5.141 7.620 ( 2.126 1.168 0.000) 2.425 7.689 ( -3.520 1.744 0.000) 3.928 7.814 ( 1.367 -4.162 0.000) 4.381 7.874 ( 0.156 -0.508 0.000) 0.531 8.101 ( -4.489 -4.213 0.000) 6.156 8.118 ( -7.324 -3.072 0.000) 7.942 8.339 ( 4.922 3.112 0.000) 5.823 8.550 ( -4.421 1.349 0.000) 4.622 8.906 ( -0.430 -7.645 0.000) 7.657 8.947 ( -2.483 -6.030 0.000) 6.522 9.533 ( -0.574 4.684 0.000) 4.719 9.591 ( -2.093 4.498 0.000) 4.961 9.633 ( 3.059 3.715 0.000) 4.812 9.767 ( -1.342 2.938 0.000) 3.230 10.269 ( 4.023 -1.329 0.000) 4.236 10.335 ( 1.136 -1.519 0.000) 1.897 10.580 ( 4.133 -1.352 0.000) 4.349 10.633 ( 1.322 -2.137 0.000) 2.513 11.197 ( 2.837 4.122 0.000) 5.003 11.210 ( 2.376 4.887 0.000) 5.434 11.720 ( 3.176 -2.212 0.000) 3.871 11.792 ( -0.476 -2.810 0.000) 2.850 12.315 ( 5.170 0.765 0.000) 5.227 12.441 ( 0.832 -1.014 0.000) 1.311 12.590 ( 2.146 1.007 0.000) 2.370 12.795 ( -0.179 -1.898 0.000) 1.907 13.048 ( -1.000 5.145 0.000) 5.241 13.132 ( -0.267 6.077 0.000) 6.083 13.759 ( 4.826 -9.064 0.000) 10.269 13.888 ( -2.002 -9.276 0.000) 9.489 14.280 ( -1.541 3.735 0.000) 4.041 14.329 ( 0.122 1.893 0.000) 1.897 14.422 ( -0.948 5.341 0.000) 5.424 14.557 ( -4.942 1.051 0.000) 5.053 14.926 ( 1.648 1.190 0.000) 2.033 15.054 ( -6.028 1.223 0.000) 6.151 15.334 ( 2.720 -0.597 0.000) 2.785 15.629 ( -11.551 -3.547 0.000) 12.083 16.390 ( 2.657 0.277 0.000) 2.671 16.427 ( -0.008 0.364 0.000) 0.364 16.725 ( 8.769 0.349 0.000) 8.776 17.034 ( -5.692 -4.447 0.000) 7.223 17.561 ( 1.971 1.248 0.000) 2.333 17.596 ( 0.400 -2.523 0.000) 2.555 17.700 ( 7.905 0.661 0.000) 7.933 17.794 ( 3.417 -2.218 0.000) 4.074 18.062 ( 4.184 8.856 0.000) 9.794 18.256 ( -6.096 2.536 0.000) 6.602 18.683 ( 1.038 -6.151 0.000) 6.238 18.742 ( -1.144 -0.521 0.000) 1.257 18.914 ( 1.751 2.164 0.000) 2.783 18.952 ( 3.482 -5.473 0.000) 6.487 19.046 ( -1.473 0.599 0.000) 1.590 19.233 ( -7.806 -10.113 0.000) 12.775 19.628 ( 2.405 7.512 0.000) 7.888 19.759 ( -5.973 11.718 0.000) 13.153 20.382 ( 7.369 -8.361 0.000) 11.145 20.570 ( -1.004 -7.030 0.000) 7.101 20.753 ( 1.800 2.975 0.000) 3.477 20.830 ( -1.364 3.260 0.000) 3.533 20.929 ( 1.388 2.020 0.000) 2.451 21.118 ( -7.584 -4.276 0.000) 8.706 21.654 ( 4.227 3.090 0.000) 5.236 21.788 ( -2.215 0.625 0.000) 2.301 22.045 ( 1.897 1.098 0.000) 2.192 22.233 ( -6.821 -1.760 0.000) 7.044 ======================= Grid point 16 (12/72) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( -0.641 3.940 0.000) 3.992 1.998 ( 0.641 3.940 0.000) 3.992 2.434 ( -6.513 -2.725 0.000) 7.060 2.434 ( 6.513 -2.725 0.000) 7.060 2.562 ( -5.206 -0.325 0.000) 5.216 2.562 ( 5.206 -0.325 0.000) 5.216 2.687 ( -0.956 -0.083 0.000) 0.959 2.687 ( 0.956 -0.083 0.000) 0.959 2.844 ( -5.237 4.701 0.000) 7.038 2.844 ( 5.237 4.701 0.000) 7.038 2.990 ( -6.984 -0.907 0.000) 7.043 2.990 ( 6.984 -0.907 0.000) 7.043 3.134 ( -5.025 -3.270 0.000) 5.996 3.134 ( 5.025 -3.270 0.000) 5.996 3.448 ( -2.257 0.834 0.000) 2.406 3.448 ( 2.257 0.834 0.000) 2.406 3.549 ( -1.129 2.467 0.000) 2.713 3.549 ( 1.129 2.467 0.000) 2.713 3.930 ( -3.375 -4.232 0.000) 5.413 3.930 ( 3.375 -4.232 0.000) 5.413 4.397 ( -3.338 0.534 0.000) 3.380 4.397 ( 3.338 0.534 0.000) 3.380 4.551 ( -12.282 -1.800 0.000) 12.413 4.551 ( 12.282 -1.800 0.000) 12.413 4.585 ( -3.744 4.369 0.000) 5.753 4.585 ( 3.744 4.369 0.000) 5.753 5.110 ( -3.229 -1.834 0.000) 3.713 5.110 ( 3.229 -1.834 0.000) 3.713 5.299 ( -1.205 2.671 0.000) 2.930 5.299 ( 1.205 2.671 0.000) 2.930 5.636 ( -5.105 2.922 0.000) 5.882 5.636 ( 5.105 2.922 0.000) 5.882 5.751 ( -4.316 2.163 0.000) 4.828 5.751 ( 4.316 2.163 0.000) 4.828 6.131 ( -1.118 0.226 0.000) 1.141 6.131 ( 1.118 0.226 0.000) 1.141 6.264 ( -2.745 -2.905 0.000) 3.997 6.264 ( 2.745 -2.905 0.000) 3.997 6.411 ( -0.652 -3.690 0.000) 3.747 6.411 ( 0.652 -3.690 0.000) 3.747 7.393 ( -2.529 3.177 0.000) 4.061 7.393 ( 2.529 3.177 0.000) 4.061 7.646 ( -1.133 1.737 0.000) 2.073 7.646 ( 1.133 1.737 0.000) 2.073 7.861 ( -2.533 -4.014 0.000) 4.747 7.861 ( 2.533 -4.014 0.000) 4.747 8.043 ( -0.472 -3.020 0.000) 3.057 8.043 ( 0.472 -3.020 0.000) 3.057 8.447 ( -5.927 2.499 0.000) 6.433 8.447 ( 5.927 2.499 0.000) 6.433 8.912 ( -1.111 -6.188 0.000) 6.287 8.912 ( 1.111 -6.188 0.000) 6.287 9.543 ( -1.720 5.280 0.000) 5.553 9.543 ( 1.720 5.280 0.000) 5.553 9.714 ( -4.019 2.655 0.000) 4.817 9.714 ( 4.019 2.655 0.000) 4.817 10.327 ( -1.897 -1.730 0.000) 2.567 10.327 ( 1.897 -1.730 0.000) 2.567 10.633 ( -1.375 -1.500 0.000) 2.034 10.633 ( 1.375 -1.500 0.000) 2.034 11.227 ( -0.400 4.223 0.000) 4.242 11.227 ( 0.400 4.223 0.000) 4.242 11.767 ( -1.900 -2.578 0.000) 3.203 11.767 ( 1.900 -2.578 0.000) 3.203 12.402 ( -3.771 0.715 0.000) 3.838 12.402 ( 3.771 0.715 0.000) 3.838 12.695 ( -7.290 -1.247 0.000) 7.396 12.695 ( 7.290 -1.247 0.000) 7.396 13.099 ( -3.618 5.487 0.000) 6.572 13.099 ( 3.618 5.487 0.000) 6.572 13.840 ( -3.284 -9.636 0.000) 10.181 13.840 ( 3.284 -9.636 0.000) 10.181 14.291 ( -2.474 4.011 0.000) 4.713 14.291 ( 2.474 4.011 0.000) 4.713 14.464 ( -4.385 2.736 0.000) 5.169 14.464 ( 4.385 2.736 0.000) 5.169 14.968 ( -3.010 1.675 0.000) 3.445 14.968 ( 3.010 1.675 0.000) 3.445 15.439 ( -8.021 -2.800 0.000) 8.496 15.439 ( 8.021 -2.800 0.000) 8.496 16.422 ( -0.810 0.812 0.000) 1.147 16.422 ( 0.810 0.812 0.000) 1.147 16.894 ( -8.509 -1.576 0.000) 8.654 16.894 ( 8.509 -1.576 0.000) 8.654 17.587 ( -1.217 -2.105 0.000) 2.432 17.587 ( 1.217 -2.105 0.000) 2.432 17.810 ( -2.527 -1.133 0.000) 2.769 17.810 ( 2.527 -1.133 0.000) 2.769 18.146 ( -5.102 6.851 0.000) 8.542 18.146 ( 5.102 6.851 0.000) 8.542 18.706 ( -1.872 -2.106 0.000) 2.818 18.706 ( 1.872 -2.106 0.000) 2.818 18.983 ( -2.898 -3.189 0.000) 4.309 18.983 ( 2.898 -3.189 0.000) 4.309 19.071 ( -7.164 -3.766 0.000) 8.094 19.071 ( 7.164 -3.766 0.000) 8.094 19.679 ( -3.055 9.522 0.000) 10.000 19.679 ( 3.055 9.522 0.000) 10.000 20.507 ( -5.381 -9.248 0.000) 10.700 20.507 ( 5.381 -9.248 0.000) 10.700 20.790 ( -2.206 4.499 0.000) 5.011 20.790 ( 2.206 4.499 0.000) 5.011 20.995 ( -5.075 -1.619 0.000) 5.327 20.995 ( 5.075 -1.619 0.000) 5.327 21.732 ( -3.629 2.372 0.000) 4.336 21.732 ( 3.629 2.372 0.000) 4.336 22.114 ( -5.228 -0.835 0.000) 5.294 22.114 ( 5.228 -0.835 0.000) 5.294 ======================= Grid point 22 (13/72) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 0.000 25.619 0.000) 25.619 1.115 ( 0.000 28.462 0.000) 28.462 1.808 ( 0.000 -4.668 0.000) 4.668 1.954 ( 0.000 23.692 0.000) 23.692 2.093 ( 0.000 -11.877 0.000) 11.877 2.426 ( 0.000 10.046 0.000) 10.046 2.621 ( 0.000 4.606 0.000) 4.606 2.688 ( 0.000 0.262 0.000) 0.262 2.811 ( 0.000 -4.798 0.000) 4.798 3.000 ( 0.000 4.324 0.000) 4.324 3.039 ( 0.000 -2.654 0.000) 2.654 3.105 ( 0.000 -7.844 0.000) 7.844 3.139 ( 0.000 -5.344 0.000) 5.344 3.391 ( 0.000 -5.016 0.000) 5.016 3.469 ( 0.000 0.919 0.000) 0.919 3.494 ( 0.000 1.882 0.000) 1.882 3.613 ( 0.000 8.822 0.000) 8.822 3.688 ( 0.000 -9.462 0.000) 9.462 3.811 ( 0.000 -8.351 0.000) 8.351 4.020 ( 0.000 5.477 0.000) 5.477 4.112 ( 0.000 -16.350 0.000) 16.350 4.199 ( 0.000 -3.510 0.000) 3.510 4.537 ( 0.000 1.181 0.000) 1.181 4.551 ( 0.000 0.256 0.000) 0.256 4.804 ( 0.000 1.960 0.000) 1.960 5.044 ( 0.000 -5.054 0.000) 5.054 5.197 ( 0.000 12.924 0.000) 12.924 5.290 ( 0.000 4.863 0.000) 4.863 5.350 ( 0.000 4.548 0.000) 4.548 5.476 ( 0.000 0.348 0.000) 0.348 5.507 ( 0.000 0.336 0.000) 0.336 5.612 ( 0.000 4.241 0.000) 4.241 5.627 ( 0.000 -7.635 0.000) 7.635 5.830 ( 0.000 -4.796 0.000) 4.796 5.898 ( 0.000 5.804 0.000) 5.804 6.028 ( 0.000 -4.705 0.000) 4.705 6.144 ( 0.000 -0.374 0.000) 0.374 6.188 ( 0.000 2.653 0.000) 2.653 6.256 ( 0.000 -2.672 0.000) 2.672 6.399 ( 0.000 -3.698 0.000) 3.698 7.382 ( 0.000 3.157 0.000) 3.157 7.415 ( 0.000 -0.732 0.000) 0.732 7.708 ( 0.000 0.833 0.000) 0.833 7.809 ( 0.000 -0.159 0.000) 0.159 7.872 ( 0.000 2.296 0.000) 2.296 8.005 ( 0.000 -3.686 0.000) 3.686 8.084 ( 0.000 3.044 0.000) 3.044 8.276 ( 0.000 -6.054 0.000) 6.054 8.515 ( 0.000 4.050 0.000) 4.050 8.872 ( 0.000 -10.509 0.000) 10.509 9.042 ( 0.000 4.088 0.000) 4.088 9.130 ( 0.000 -1.744 0.000) 1.744 9.582 ( 0.000 -0.798 0.000) 0.798 9.587 ( 0.000 -0.598 0.000) 0.598 9.671 ( 0.000 0.746 0.000) 0.746 9.731 ( 0.000 -1.775 0.000) 1.775 9.992 ( 0.000 2.442 0.000) 2.442 10.124 ( 0.000 -2.448 0.000) 2.448 10.180 ( 0.000 2.209 0.000) 2.209 10.239 ( 0.000 -1.640 0.000) 1.640 10.908 ( 0.000 5.078 0.000) 5.078 11.001 ( 0.000 8.126 0.000) 8.126 11.084 ( 0.000 -5.051 0.000) 5.051 11.323 ( 0.000 -6.809 0.000) 6.809 12.104 ( 0.000 3.179 0.000) 3.179 12.258 ( 0.000 -3.719 0.000) 3.719 12.629 ( 0.000 -0.007 0.000) 0.007 12.656 ( 0.000 -1.427 0.000) 1.427 12.984 ( 0.000 8.029 0.000) 8.029 13.274 ( 0.000 -6.323 0.000) 6.323 13.936 ( 0.000 5.090 0.000) 5.090 14.150 ( 0.000 7.679 0.000) 7.679 14.186 ( 0.000 -7.413 0.000) 7.413 14.419 ( 0.000 -5.815 0.000) 5.815 14.881 ( 0.000 2.781 0.000) 2.781 14.961 ( 0.000 -0.905 0.000) 0.905 15.056 ( 0.000 5.403 0.000) 5.403 15.221 ( 0.000 -2.994 0.000) 2.994 15.835 ( 0.000 5.066 0.000) 5.066 15.998 ( 0.000 -1.283 0.000) 1.283 16.260 ( 0.000 -2.620 0.000) 2.620 16.289 ( 0.000 -3.089 0.000) 3.089 16.539 ( 0.000 -0.638 0.000) 0.638 16.686 ( 0.000 -5.791 0.000) 5.791 17.152 ( 0.000 5.276 0.000) 5.276 17.193 ( 0.000 1.666 0.000) 1.666 17.530 ( 0.000 -1.239 0.000) 1.239 17.617 ( 0.000 -6.186 0.000) 6.186 17.955 ( 0.000 6.282 0.000) 6.282 18.249 ( 0.000 -8.429 0.000) 8.429 18.538 ( 0.000 8.219 0.000) 8.219 18.751 ( 0.000 1.318 0.000) 1.318 19.005 ( 0.000 -1.049 0.000) 1.049 19.048 ( 0.000 -1.306 0.000) 1.306 19.176 ( 0.000 1.413 0.000) 1.413 19.223 ( 0.000 -1.128 0.000) 1.128 19.629 ( 0.000 5.581 0.000) 5.581 19.875 ( 0.000 -5.954 0.000) 5.954 20.270 ( 0.000 4.101 0.000) 4.101 20.499 ( 0.000 -6.846 0.000) 6.846 20.697 ( 0.000 10.051 0.000) 10.051 20.935 ( 0.000 -2.350 0.000) 2.350 21.289 ( 0.000 1.271 0.000) 1.271 21.344 ( 0.000 -1.442 0.000) 1.442 21.592 ( 0.000 2.914 0.000) 2.914 21.716 ( 0.000 -3.192 0.000) 3.192 22.245 ( 0.000 2.854 0.000) 2.854 22.402 ( 0.000 -4.960 0.000) 4.960 ======================= Grid point 23 (14/72) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 8.647 23.044 0.000) 24.613 1.205 ( 11.339 24.864 0.000) 27.327 1.861 ( 4.443 -13.744 0.000) 14.444 2.066 ( 7.050 -4.121 0.000) 8.166 2.205 ( 13.748 15.567 0.000) 20.769 2.500 ( 5.458 7.538 0.000) 9.307 2.616 ( 0.755 6.273 0.000) 6.319 2.738 ( 4.675 0.341 0.000) 4.687 2.841 ( 2.982 -4.785 0.000) 5.638 2.959 ( -2.885 1.317 0.000) 3.172 3.009 ( -2.929 -2.785 0.000) 4.042 3.131 ( 0.065 -5.471 0.000) 5.471 3.156 ( 3.592 -1.988 0.000) 4.105 3.360 ( -3.079 -3.313 0.000) 4.523 3.451 ( -0.987 -0.691 0.000) 1.205 3.497 ( -0.083 2.510 0.000) 2.512 3.594 ( -1.429 5.162 0.000) 5.357 3.696 ( -0.127 -2.091 0.000) 2.095 3.815 ( 0.482 -8.580 0.000) 8.594 3.987 ( -3.334 3.238 0.000) 4.647 4.073 ( -6.229 -6.444 0.000) 8.962 4.189 ( 1.876 -12.902 0.000) 13.038 4.527 ( -2.026 0.623 0.000) 2.119 4.554 ( 0.809 1.259 0.000) 1.497 4.787 ( -1.792 3.036 0.000) 3.525 5.047 ( 0.624 -4.434 0.000) 4.478 5.152 ( -4.501 9.614 0.000) 10.616 5.295 ( -3.053 2.859 0.000) 4.183 5.353 ( 1.642 7.093 0.000) 7.281 5.451 ( 0.051 3.555 0.000) 3.555 5.499 ( -3.584 1.944 0.000) 4.078 5.603 ( 4.062 2.754 0.000) 4.908 5.684 ( 5.266 -5.303 0.000) 7.473 5.843 ( 2.589 -3.873 0.000) 4.659 5.947 ( 2.066 3.952 0.000) 4.460 6.075 ( 2.253 -4.309 0.000) 4.863 6.104 ( -2.324 -0.075 0.000) 2.326 6.175 ( -1.133 3.167 0.000) 3.364 6.274 ( 0.919 -3.785 0.000) 3.895 6.390 ( -0.880 -6.872 0.000) 6.928 7.333 ( -2.619 3.033 0.000) 4.008 7.446 ( 1.156 -2.204 0.000) 2.489 7.692 ( -1.426 2.334 0.000) 2.735 7.789 ( -1.637 0.255 0.000) 1.657 7.880 ( 0.357 1.845 0.000) 1.880 8.012 ( 0.594 -2.505 0.000) 2.574 8.071 ( -0.698 2.799 0.000) 2.885 8.297 ( 0.921 -8.376 0.000) 8.427 8.488 ( -2.124 5.650 0.000) 6.036 8.826 ( -5.305 -9.198 0.000) 10.618 8.916 ( -8.878 3.911 0.000) 9.701 9.072 ( -5.347 -4.973 0.000) 7.302 9.492 ( -1.044 2.029 0.000) 2.281 9.606 ( -0.237 -3.583 0.000) 3.590 9.763 ( 5.889 2.781 0.000) 6.513 9.801 ( 1.969 0.697 0.000) 2.089 10.055 ( 5.758 2.160 0.000) 6.150 10.147 ( -1.040 2.551 0.000) 2.755 10.211 ( 6.079 -2.970 0.000) 6.766 10.288 ( 4.751 -4.271 0.000) 6.389 10.974 ( 6.365 5.829 0.000) 8.631 10.992 ( 3.275 7.598 0.000) 8.273 11.277 ( 13.038 -5.728 0.000) 14.241 11.386 ( 6.630 -6.458 0.000) 9.256 12.109 ( 0.710 2.690 0.000) 2.782 12.252 ( -0.302 -3.768 0.000) 3.780 12.642 ( 0.888 0.465 0.000) 1.003 12.665 ( 0.962 -1.371 0.000) 1.675 13.008 ( 2.502 9.427 0.000) 9.754 13.311 ( 3.460 -6.558 0.000) 7.415 13.838 ( -8.812 3.587 0.000) 9.514 14.012 ( -10.376 -2.976 0.000) 10.794 14.245 ( 1.974 1.707 0.000) 2.610 14.399 ( -0.655 -3.547 0.000) 3.607 14.780 ( -7.343 6.296 0.000) 9.672 14.882 ( -6.020 0.248 0.000) 6.025 15.080 ( -0.507 2.043 0.000) 2.104 15.205 ( -1.674 -3.015 0.000) 3.449 15.770 ( -6.614 6.993 0.000) 9.625 16.021 ( 1.661 -3.304 0.000) 3.698 16.210 ( 0.520 -0.673 0.000) 0.851 16.316 ( -2.498 -3.037 0.000) 3.932 16.569 ( 2.566 -0.696 0.000) 2.659 16.738 ( 4.088 -7.733 0.000) 8.747 17.206 ( 4.197 1.690 0.000) 4.525 17.258 ( 7.192 1.116 0.000) 7.278 17.550 ( 2.865 0.857 0.000) 2.991 17.695 ( 5.748 -5.250 0.000) 7.785 17.985 ( 2.712 6.524 0.000) 7.066 18.284 ( 3.345 -9.044 0.000) 9.643 18.535 ( -0.552 7.245 0.000) 7.266 18.743 ( -0.944 0.016 0.000) 0.944 18.941 ( -5.227 0.195 0.000) 5.231 19.041 ( -0.202 -3.272 0.000) 3.279 19.097 ( -5.046 3.522 0.000) 6.154 19.248 ( -0.275 -4.496 0.000) 4.504 19.669 ( 3.498 6.541 0.000) 7.418 19.903 ( 2.960 -4.710 0.000) 5.563 20.252 ( -1.911 4.006 0.000) 4.439 20.494 ( -0.454 -7.115 0.000) 7.130 20.699 ( 0.295 9.713 0.000) 9.717 20.924 ( -0.834 -1.036 0.000) 1.330 21.209 ( -6.431 3.712 0.000) 7.425 21.342 ( -1.495 -4.508 0.000) 4.749 21.598 ( 0.378 2.468 0.000) 2.496 21.713 ( 0.244 -3.215 0.000) 3.224 22.213 ( -2.039 5.456 0.000) 5.825 22.424 ( 0.509 -6.426 0.000) 6.446 ======================= Grid point 24 (15/72) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 16.397 14.474 0.000) 21.871 1.503 ( 17.751 16.379 0.000) 24.153 1.967 ( 6.426 -13.218 0.000) 14.698 2.164 ( 3.980 -15.731 0.000) 16.227 2.475 ( 3.928 10.143 0.000) 10.876 2.521 ( 3.543 2.706 0.000) 4.458 2.752 ( 10.847 9.264 0.000) 14.264 2.808 ( -0.350 -1.352 0.000) 1.396 2.895 ( 1.986 -1.060 0.000) 2.251 2.946 ( 1.973 -1.000 0.000) 2.212 2.976 ( 2.918 -2.904 0.000) 4.117 3.131 ( -1.443 1.014 0.000) 1.763 3.225 ( 2.627 -1.373 0.000) 2.964 3.303 ( -0.596 1.945 0.000) 2.034 3.440 ( -1.299 -3.406 0.000) 3.645 3.492 ( 0.401 2.966 0.000) 2.993 3.560 ( -2.543 4.956 0.000) 5.570 3.664 ( -2.896 3.892 0.000) 4.851 3.814 ( -1.672 -6.047 0.000) 6.274 3.921 ( -3.837 2.132 0.000) 4.389 3.933 ( -4.480 -3.268 0.000) 5.546 4.249 ( 3.437 -15.204 0.000) 15.588 4.466 ( -3.576 2.421 0.000) 4.318 4.573 ( 1.177 -1.025 0.000) 1.561 4.742 ( -2.602 5.286 0.000) 5.892 5.012 ( -5.474 7.119 0.000) 8.980 5.105 ( 0.446 -3.506 0.000) 3.534 5.210 ( -3.414 -1.053 0.000) 3.573 5.383 ( -0.302 7.609 0.000) 7.615 5.423 ( -1.797 4.091 0.000) 4.468 5.499 ( 3.117 4.689 0.000) 5.630 5.709 ( 5.366 3.351 0.000) 6.327 5.790 ( 4.553 -3.340 0.000) 5.647 5.881 ( -1.779 1.745 0.000) 2.492 5.980 ( 3.946 -0.317 0.000) 3.959 6.074 ( 1.367 -4.657 0.000) 4.854 6.100 ( -0.289 -1.278 0.000) 1.310 6.162 ( -0.085 1.920 0.000) 1.921 6.278 ( -0.393 -4.875 0.000) 4.891 6.365 ( -1.785 -7.567 0.000) 7.775 7.307 ( 0.009 3.044 0.000) 3.044 7.456 ( 0.428 -3.703 0.000) 3.727 7.664 ( -1.380 4.332 0.000) 4.546 7.761 ( -1.073 -0.066 0.000) 1.075 7.868 ( -1.860 1.707 0.000) 2.524 8.015 ( -0.909 2.892 0.000) 3.032 8.065 ( -0.166 -2.860 0.000) 2.865 8.280 ( -2.468 -7.068 0.000) 7.487 8.442 ( -3.521 4.565 0.000) 5.765 8.690 ( -6.480 -3.588 0.000) 7.407 8.795 ( -3.925 -2.083 0.000) 4.443 8.967 ( -5.273 -7.609 0.000) 9.258 9.518 ( 2.804 2.174 0.000) 3.548 9.617 ( 1.123 -1.809 0.000) 2.129 9.780 ( -1.372 4.081 0.000) 4.305 9.852 ( 1.479 2.433 0.000) 2.847 10.135 ( 2.074 2.364 0.000) 3.145 10.185 ( 4.782 1.478 0.000) 5.005 10.322 ( 6.214 -2.307 0.000) 6.628 10.404 ( 6.226 -5.921 0.000) 8.591 11.103 ( 7.060 6.754 0.000) 9.770 11.126 ( 8.434 7.348 0.000) 11.186 11.471 ( 7.683 -3.356 0.000) 8.384 11.563 ( 9.451 -6.941 0.000) 11.726 12.143 ( 3.133 1.842 0.000) 3.635 12.263 ( 1.886 -3.868 0.000) 4.304 12.660 ( 0.800 1.308 0.000) 1.533 12.683 ( 1.097 0.103 0.000) 1.102 13.075 ( 4.195 10.424 0.000) 11.236 13.378 ( 2.613 -4.059 0.000) 4.827 13.649 ( -10.540 -0.152 0.000) 10.541 13.811 ( -8.191 -8.528 0.000) 11.824 14.277 ( 1.833 3.419 0.000) 3.880 14.403 ( 0.369 -1.953 0.000) 1.988 14.650 ( -6.219 6.047 0.000) 8.674 14.761 ( -6.064 -0.414 0.000) 6.078 15.028 ( -4.088 2.864 0.000) 4.991 15.163 ( -2.597 -3.707 0.000) 4.527 15.622 ( -8.298 9.055 0.000) 12.282 15.971 ( -8.200 -8.763 0.000) 12.001 16.241 ( 2.799 1.473 0.000) 3.163 16.308 ( 2.829 -2.085 0.000) 3.514 16.604 ( 1.638 3.248 0.000) 3.638 16.837 ( 5.951 -9.214 0.000) 10.969 17.309 ( 6.651 1.453 0.000) 6.808 17.405 ( 6.875 -2.819 0.000) 7.431 17.632 ( 5.277 3.829 0.000) 6.520 17.769 ( 1.052 -0.303 0.000) 1.095 18.044 ( 3.574 7.461 0.000) 8.273 18.350 ( 2.576 -7.974 0.000) 8.380 18.513 ( -1.471 2.118 0.000) 2.578 18.711 ( -2.240 -4.901 0.000) 5.389 18.868 ( -1.776 2.251 0.000) 2.868 19.013 ( -2.648 3.319 0.000) 4.246 19.058 ( 1.222 -3.886 0.000) 4.073 19.211 ( -2.976 -6.625 0.000) 7.262 19.723 ( 1.661 8.150 0.000) 8.317 19.986 ( 5.261 -5.409 0.000) 7.545 20.197 ( -3.726 6.179 0.000) 7.215 20.481 ( -0.920 -7.154 0.000) 7.213 20.715 ( 1.501 7.692 0.000) 7.837 20.912 ( -0.476 0.453 0.000) 0.657 21.085 ( -5.894 4.126 0.000) 7.195 21.274 ( -5.439 -6.711 0.000) 8.638 21.610 ( 1.224 3.166 0.000) 3.395 21.734 ( 1.700 -3.370 0.000) 3.775 22.175 ( -2.227 6.206 0.000) 6.594 22.393 ( -3.604 -5.665 0.000) 6.714 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 20.272 4.991 0.000) 20.877 1.832 ( 15.626 9.489 0.000) 18.282 2.086 ( 4.621 -7.880 0.000) 9.135 2.225 ( 2.728 -7.072 0.000) 7.580 2.437 ( -0.445 1.009 0.000) 1.103 2.593 ( -0.226 -4.432 0.000) 4.438 2.791 ( 0.601 -0.214 0.000) 0.638 2.833 ( -2.616 0.213 0.000) 2.625 2.936 ( 4.137 2.433 0.000) 4.799 2.976 ( -3.623 0.834 0.000) 3.718 3.053 ( -2.608 2.172 0.000) 3.395 3.092 ( 3.569 -1.259 0.000) 3.784 3.217 ( -2.636 -2.293 0.000) 3.494 3.273 ( -6.908 -4.846 0.000) 8.438 3.441 ( -0.221 4.816 0.000) 4.821 3.483 ( -5.076 7.036 0.000) 8.676 3.571 ( 10.528 5.991 0.000) 12.113 3.641 ( 0.083 -0.801 0.000) 0.806 3.746 ( -3.002 -1.520 0.000) 3.365 3.854 ( -1.369 -2.230 0.000) 2.617 3.963 ( 5.768 3.951 0.000) 6.992 4.299 ( 1.605 -8.541 0.000) 8.690 4.432 ( 0.743 -0.139 0.000) 0.755 4.598 ( 1.270 -5.482 0.000) 5.627 4.704 ( -0.963 7.913 0.000) 7.971 4.897 ( -6.262 9.457 0.000) 11.342 5.080 ( -2.668 -3.796 0.000) 4.640 5.184 ( -1.249 -7.019 0.000) 7.129 5.348 ( -0.840 6.957 0.000) 7.008 5.439 ( 1.808 3.920 0.000) 4.317 5.541 ( 0.313 4.705 0.000) 4.715 5.753 ( -1.756 0.860 0.000) 1.955 5.830 ( -1.104 6.153 0.000) 6.251 5.842 ( 1.735 1.054 0.000) 2.030 6.057 ( 3.165 -4.397 0.000) 5.418 6.106 ( 2.170 -0.156 0.000) 2.175 6.161 ( 0.102 0.941 0.000) 0.947 6.164 ( 5.547 -6.275 0.000) 8.375 6.265 ( -0.651 -5.891 0.000) 5.927 6.329 ( -1.677 -4.886 0.000) 5.166 7.333 ( 2.537 3.300 0.000) 4.162 7.484 ( 2.758 -2.402 0.000) 3.657 7.638 ( -1.490 4.304 0.000) 4.555 7.749 ( -0.312 -1.320 0.000) 1.356 7.809 ( -4.014 2.245 0.000) 4.599 7.961 ( -4.511 4.250 0.000) 6.197 8.046 ( -2.211 -7.006 0.000) 7.347 8.199 ( -6.936 -5.806 0.000) 9.045 8.376 ( -0.819 6.003 0.000) 6.059 8.619 ( -1.818 -1.959 0.000) 2.672 8.752 ( -0.916 -5.425 0.000) 5.502 8.879 ( -3.679 -7.153 0.000) 8.043 9.579 ( 3.247 2.589 0.000) 4.153 9.635 ( 0.904 1.770 0.000) 1.988 9.756 ( -1.436 4.820 0.000) 5.030 9.848 ( -1.100 2.658 0.000) 2.877 10.184 ( 2.949 0.902 0.000) 3.084 10.259 ( 2.851 -1.630 0.000) 3.284 10.448 ( 6.364 -1.617 0.000) 6.566 10.509 ( 4.764 -4.537 0.000) 6.579 11.227 ( 5.397 6.754 0.000) 8.646 11.263 ( 5.311 7.112 0.000) 8.876 11.592 ( 4.990 -2.701 0.000) 5.675 11.688 ( 3.608 -5.722 0.000) 6.764 12.229 ( 5.588 1.595 0.000) 5.812 12.328 ( 4.581 -3.232 0.000) 5.607 12.649 ( -1.597 2.766 0.000) 3.194 12.728 ( 2.860 -0.546 0.000) 2.911 13.151 ( 3.135 8.810 0.000) 9.351 13.349 ( -6.021 6.965 0.000) 9.206 13.523 ( -0.161 -9.050 0.000) 9.051 13.722 ( -2.265 -11.639 0.000) 11.858 14.313 ( 1.646 2.576 0.000) 3.058 14.395 ( -1.287 -0.128 0.000) 1.293 14.554 ( -3.372 5.093 0.000) 6.109 14.660 ( -4.639 -0.392 0.000) 4.656 14.961 ( -2.095 3.212 0.000) 3.834 15.109 ( -2.911 -3.973 0.000) 4.926 15.463 ( -7.916 7.696 0.000) 11.040 15.762 ( -12.082 -7.180 0.000) 14.055 16.321 ( 4.670 0.467 0.000) 4.693 16.371 ( 3.284 -2.698 0.000) 4.250 16.657 ( 3.911 5.471 0.000) 6.725 16.927 ( 2.612 -8.781 0.000) 9.161 17.454 ( 8.141 0.003 0.000) 8.141 17.510 ( 4.392 -3.568 0.000) 5.658 17.733 ( 0.567 3.076 0.000) 3.128 17.740 ( 0.893 5.846 0.000) 5.914 18.129 ( 5.014 7.596 0.000) 9.102 18.361 ( -1.187 -0.233 0.000) 1.210 18.497 ( 0.146 -7.352 0.000) 7.354 18.675 ( -1.194 -8.743 0.000) 8.824 18.859 ( 0.434 3.227 0.000) 3.256 18.984 ( -0.763 1.967 0.000) 2.110 19.080 ( 0.531 -1.799 0.000) 1.875 19.151 ( -3.217 -6.573 0.000) 7.318 19.747 ( 1.507 9.388 0.000) 9.508 20.057 ( -0.630 -0.998 0.000) 1.180 20.137 ( 0.241 2.766 0.000) 2.777 20.459 ( -1.575 -7.875 0.000) 8.031 20.753 ( 2.312 4.743 0.000) 5.276 20.903 ( -0.464 1.378 0.000) 1.453 20.997 ( -3.224 2.608 0.000) 4.147 21.150 ( -6.995 -6.500 0.000) 9.549 21.652 ( 3.091 3.824 0.000) 4.917 21.769 ( 1.792 -2.480 0.000) 3.060 22.123 ( -3.012 4.932 0.000) 5.779 22.301 ( -5.691 -4.241 0.000) 7.098 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 7.441 4.446 0.000) 8.668 2.074 ( 4.648 1.604 0.000) 4.917 2.128 ( 11.607 1.540 0.000) 11.708 2.299 ( 4.762 -5.072 0.000) 6.957 2.490 ( 4.485 -0.261 0.000) 4.493 2.608 ( 3.469 -5.585 0.000) 6.575 2.742 ( -7.570 1.447 0.000) 7.707 2.778 ( -3.436 1.136 0.000) 3.618 2.874 ( -2.073 2.034 0.000) 2.904 2.962 ( -7.515 -0.294 0.000) 7.521 2.990 ( 1.168 3.679 0.000) 3.860 3.087 ( -3.340 -1.085 0.000) 3.512 3.134 ( -7.764 -1.093 0.000) 7.840 3.172 ( 0.669 -3.172 0.000) 3.242 3.385 ( -3.437 3.773 0.000) 5.104 3.472 ( 2.189 3.184 0.000) 3.864 3.590 ( -3.019 -1.668 0.000) 3.449 3.680 ( -0.788 5.539 0.000) 5.594 3.780 ( 4.341 -4.791 0.000) 6.465 3.846 ( -0.063 -4.887 0.000) 4.887 4.182 ( 15.021 3.402 0.000) 15.402 4.345 ( 4.313 -1.187 0.000) 4.473 4.452 ( -0.371 -1.711 0.000) 1.751 4.605 ( -1.597 -6.784 0.000) 6.969 4.702 ( 0.530 9.104 0.000) 9.119 4.790 ( -4.140 8.993 0.000) 9.900 5.029 ( -1.841 -3.503 0.000) 3.957 5.127 ( -4.491 -6.364 0.000) 7.789 5.353 ( 0.995 6.022 0.000) 6.104 5.458 ( -2.123 6.286 0.000) 6.635 5.538 ( 2.376 -1.038 0.000) 2.593 5.692 ( -3.679 -3.933 0.000) 5.386 5.838 ( 1.393 6.529 0.000) 6.676 5.867 ( 0.529 7.825 0.000) 7.843 6.099 ( 1.908 -3.075 0.000) 3.619 6.154 ( -0.550 1.164 0.000) 1.287 6.167 ( 2.808 -1.301 0.000) 3.095 6.224 ( -0.242 -4.360 0.000) 4.366 6.282 ( 2.634 -6.707 0.000) 7.205 6.312 ( -0.027 -5.305 0.000) 5.305 7.397 ( 4.011 4.382 0.000) 5.941 7.536 ( 0.205 4.081 0.000) 4.086 7.620 ( 1.460 -0.903 0.000) 1.717 7.729 ( -3.638 0.575 0.000) 3.683 7.745 ( -0.326 -0.587 0.000) 0.671 7.870 ( -4.465 0.452 0.000) 4.488 7.993 ( -2.748 -6.496 0.000) 7.054 8.046 ( -7.285 -4.715 0.000) 8.677 8.422 ( 4.418 5.709 0.000) 7.219 8.583 ( -2.594 1.614 0.000) 3.055 8.753 ( 0.923 -7.342 0.000) 7.400 8.824 ( -2.399 -6.673 0.000) 7.092 9.623 ( 1.435 4.441 0.000) 4.667 9.679 ( 3.523 3.280 0.000) 4.814 9.714 ( -2.577 5.413 0.000) 5.995 9.819 ( -2.147 1.869 0.000) 2.847 10.241 ( 2.804 -1.140 0.000) 3.027 10.292 ( 0.656 -2.880 0.000) 2.954 10.550 ( 4.023 -1.601 0.000) 4.330 10.580 ( 2.427 -3.147 0.000) 3.974 11.304 ( 2.706 6.708 0.000) 7.233 11.326 ( 1.620 6.753 0.000) 6.944 11.663 ( 2.596 -3.481 0.000) 4.343 11.716 ( -0.115 -5.040 0.000) 5.041 12.338 ( 5.349 1.704 0.000) 5.614 12.414 ( 3.351 -1.858 0.000) 3.831 12.623 ( -0.249 2.558 0.000) 2.571 12.745 ( -2.078 -3.308 0.000) 3.906 13.184 ( 1.555 8.989 0.000) 9.123 13.276 ( -1.454 9.200 0.000) 9.314 13.570 ( 3.648 -10.766 0.000) 11.367 13.687 ( -1.955 -11.741 0.000) 11.903 14.333 ( 0.681 2.502 0.000) 2.593 14.373 ( -0.635 1.543 0.000) 1.669 14.514 ( -1.241 4.198 0.000) 4.377 14.575 ( -4.125 0.605 0.000) 4.169 14.960 ( 1.653 2.500 0.000) 2.997 15.060 ( -2.268 -1.169 0.000) 2.552 15.348 ( -3.031 2.748 0.000) 4.091 15.541 ( -10.556 -5.635 0.000) 11.966 16.398 ( 3.181 0.545 0.000) 3.227 16.426 ( 2.096 -0.528 0.000) 2.162 16.747 ( 5.314 2.343 0.000) 5.808 16.927 ( -2.437 -6.458 0.000) 6.902 17.553 ( 2.413 -0.645 0.000) 2.497 17.627 ( 5.231 1.179 0.000) 5.362 17.669 ( -0.779 1.142 0.000) 1.382 17.802 ( 1.133 0.360 0.000) 1.189 18.216 ( 3.788 7.282 0.000) 8.209 18.326 ( -2.220 5.668 0.000) 6.088 18.527 ( 3.122 -10.010 0.000) 10.486 18.655 ( -1.610 -9.064 0.000) 9.206 18.888 ( 2.798 1.856 0.000) 3.357 18.980 ( 0.584 1.515 0.000) 1.623 19.055 ( -3.474 0.144 0.000) 3.477 19.091 ( -2.892 -4.575 0.000) 5.412 19.794 ( 3.432 10.056 0.000) 10.625 19.974 ( -5.488 11.014 0.000) 12.305 20.209 ( 5.220 -9.552 0.000) 10.885 20.411 ( -3.729 -9.943 0.000) 10.619 20.799 ( 2.504 2.734 0.000) 3.708 20.889 ( -1.339 1.578 0.000) 2.069 20.959 ( -0.828 1.101 0.000) 1.377 21.030 ( -4.986 -4.170 0.000) 6.500 21.720 ( 3.776 3.637 0.000) 5.243 21.796 ( 0.686 -0.117 0.000) 0.696 22.076 ( -1.305 2.269 0.000) 2.618 22.188 ( -5.803 -3.014 0.000) 6.538 ======================= Grid point 27 (18/72) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( -1.071 4.472 0.000) 4.599 2.082 ( 1.071 4.472 0.000) 4.599 2.370 ( -3.680 -3.611 0.000) 5.156 2.370 ( 3.680 -3.611 0.000) 5.156 2.568 ( -5.238 0.867 0.000) 5.309 2.568 ( 5.238 0.867 0.000) 5.309 2.683 ( -3.151 -0.563 0.000) 3.201 2.683 ( 3.151 -0.563 0.000) 3.201 2.906 ( -5.337 1.634 0.000) 5.581 2.906 ( 5.337 1.634 0.000) 5.581 2.975 ( -6.115 -0.333 0.000) 6.124 2.975 ( 6.115 -0.333 0.000) 6.124 3.127 ( -5.026 2.242 0.000) 5.503 3.127 ( 5.026 2.242 0.000) 5.503 3.419 ( -5.382 -2.896 0.000) 6.112 3.419 ( 5.382 -2.896 0.000) 6.112 3.622 ( -4.178 4.540 0.000) 6.170 3.622 ( 4.178 4.540 0.000) 6.170 3.835 ( -1.424 -5.545 0.000) 5.725 3.835 ( 1.424 -5.545 0.000) 5.725 4.390 ( -6.052 -0.876 0.000) 6.115 4.390 ( 6.052 -0.876 0.000) 6.115 4.496 ( -9.560 -2.612 0.000) 9.910 4.496 ( 9.560 -2.612 0.000) 9.910 4.732 ( -2.483 9.346 0.000) 9.670 4.732 ( 2.483 9.346 0.000) 9.670 5.041 ( -3.279 -5.244 0.000) 6.185 5.041 ( 3.279 -5.244 0.000) 6.185 5.392 ( -3.195 6.630 0.000) 7.360 5.392 ( 3.195 6.630 0.000) 7.360 5.615 ( -4.406 -3.964 0.000) 5.927 5.615 ( 4.406 -3.964 0.000) 5.927 5.863 ( -0.915 7.644 0.000) 7.699 5.863 ( 0.915 7.644 0.000) 7.699 6.134 ( -1.563 0.058 0.000) 1.564 6.134 ( 1.563 0.058 0.000) 1.564 6.204 ( -1.406 -2.644 0.000) 2.994 6.204 ( 1.406 -2.644 0.000) 2.994 6.314 ( -0.416 -6.433 0.000) 6.446 6.314 ( 0.416 -6.433 0.000) 6.446 7.479 ( -4.355 5.872 0.000) 7.311 7.479 ( 4.355 5.872 0.000) 7.311 7.673 ( -2.341 -0.216 0.000) 2.351 7.673 ( 2.341 -0.216 0.000) 2.351 7.782 ( -4.489 -2.780 0.000) 5.280 7.782 ( 4.489 -2.780 0.000) 5.280 7.967 ( -0.855 -4.799 0.000) 4.874 7.967 ( 0.855 -4.799 0.000) 4.874 8.513 ( -4.566 4.339 0.000) 6.298 8.513 ( 4.566 4.339 0.000) 6.298 8.782 ( -1.939 -7.059 0.000) 7.320 8.782 ( 1.939 -7.059 0.000) 7.320 9.658 ( -2.359 6.274 0.000) 6.703 9.658 ( 2.359 6.274 0.000) 6.703 9.760 ( -3.914 1.657 0.000) 4.250 9.760 ( 3.914 1.657 0.000) 4.250 10.284 ( -1.484 -2.496 0.000) 2.904 10.284 ( 1.484 -2.496 0.000) 2.904 10.596 ( -0.797 -2.131 0.000) 2.275 10.596 ( 0.797 -2.131 0.000) 2.275 11.334 ( -0.612 6.598 0.000) 6.626 11.334 ( 0.612 6.598 0.000) 6.626 11.700 ( -1.396 -4.395 0.000) 4.611 11.700 ( 1.396 -4.395 0.000) 4.611 12.419 ( -2.633 0.951 0.000) 2.800 12.419 ( 2.633 0.951 0.000) 2.800 12.668 ( -4.499 -1.398 0.000) 4.712 12.668 ( 4.499 -1.398 0.000) 4.712 13.236 ( -3.042 8.996 0.000) 9.497 13.236 ( 3.042 8.996 0.000) 9.497 13.638 ( -3.172 -11.494 0.000) 11.924 13.638 ( 3.172 -11.494 0.000) 11.924 14.355 ( -1.463 2.615 0.000) 2.997 14.355 ( 1.463 2.615 0.000) 2.997 14.515 ( -1.783 2.203 0.000) 2.834 14.515 ( 1.783 2.203 0.000) 2.834 15.009 ( -3.049 2.367 0.000) 3.860 15.009 ( 3.049 2.367 0.000) 3.860 15.378 ( -5.857 -3.294 0.000) 6.720 15.378 ( 5.857 -3.294 0.000) 6.720 16.438 ( -0.888 0.848 0.000) 1.228 16.438 ( 0.888 0.848 0.000) 1.228 16.850 ( -5.132 -2.639 0.000) 5.771 16.850 ( 5.132 -2.639 0.000) 5.771 17.595 ( -2.446 3.132 0.000) 3.974 17.595 ( 2.446 3.132 0.000) 3.974 17.769 ( -4.520 -3.462 0.000) 5.693 17.769 ( 4.520 -3.462 0.000) 5.693 18.277 ( -2.812 6.850 0.000) 7.405 18.277 ( 2.812 6.850 0.000) 7.405 18.601 ( -3.858 -8.407 0.000) 9.250 18.601 ( 3.858 -8.407 0.000) 9.250 18.959 ( -4.153 1.269 0.000) 4.343 18.959 ( 4.153 1.269 0.000) 4.343 19.032 ( -2.879 -1.431 0.000) 3.215 19.032 ( 2.879 -1.431 0.000) 3.215 19.874 ( -4.816 11.134 0.000) 12.130 19.874 ( 4.816 11.134 0.000) 12.130 20.317 ( -5.712 -11.095 0.000) 12.479 20.317 ( 5.712 -11.095 0.000) 12.479 20.849 ( -2.574 1.733 0.000) 3.103 20.849 ( 2.574 1.733 0.000) 3.103 20.967 ( -1.741 -1.015 0.000) 2.015 20.967 ( 1.741 -1.015 0.000) 2.015 21.782 ( -2.229 2.570 0.000) 3.402 21.782 ( 2.229 2.570 0.000) 3.402 22.095 ( -3.347 -1.116 0.000) 3.528 22.095 ( 3.347 -1.116 0.000) 3.528 ======================= Grid point 33 (19/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 0.000 -22.113 0.000) 22.113 1.465 ( 0.000 22.113 0.000) 22.113 1.618 ( 0.000 -25.750 0.000) 25.750 1.618 ( 0.000 25.750 0.000) 25.750 2.568 ( 0.000 -1.405 0.000) 1.405 2.568 ( 0.000 1.405 0.000) 1.405 2.704 ( 0.000 -2.270 0.000) 2.270 2.704 ( 0.000 2.270 0.000) 2.270 2.802 ( 0.000 -19.584 0.000) 19.584 2.802 ( 0.000 19.584 0.000) 19.584 3.005 ( 0.000 -0.154 0.000) 0.154 3.005 ( 0.000 0.154 0.000) 0.154 3.195 ( 0.000 -10.126 0.000) 10.126 3.195 ( 0.000 10.126 0.000) 10.126 3.472 ( 0.000 -1.597 0.000) 1.597 3.472 ( 0.000 1.597 0.000) 1.597 3.674 ( 0.000 -5.223 0.000) 5.223 3.674 ( 0.000 5.223 0.000) 5.223 3.842 ( 0.000 -13.093 0.000) 13.093 3.842 ( 0.000 13.093 0.000) 13.093 4.120 ( 0.000 -4.915 0.000) 4.915 4.120 ( 0.000 4.915 0.000) 4.915 4.552 ( 0.000 -0.202 0.000) 0.202 4.552 ( 0.000 0.202 0.000) 0.202 4.911 ( 0.000 -8.198 0.000) 8.198 4.911 ( 0.000 8.198 0.000) 8.198 5.346 ( 0.000 -0.419 0.000) 0.419 5.346 ( 0.000 0.419 0.000) 0.419 5.457 ( 0.000 -10.316 0.000) 10.316 5.457 ( 0.000 10.316 0.000) 10.316 5.500 ( 0.000 -1.268 0.000) 1.268 5.500 ( 0.000 1.268 0.000) 1.268 5.720 ( 0.000 -6.734 0.000) 6.734 5.720 ( 0.000 6.734 0.000) 6.734 5.964 ( 0.000 -2.402 0.000) 2.402 5.964 ( 0.000 2.402 0.000) 2.402 6.160 ( 0.000 -2.375 0.000) 2.375 6.160 ( 0.000 2.375 0.000) 2.375 6.312 ( 0.000 -5.404 0.000) 5.404 6.312 ( 0.000 5.404 0.000) 5.404 7.408 ( 0.000 -0.237 0.000) 0.237 7.408 ( 0.000 0.237 0.000) 0.237 7.767 ( 0.000 -4.118 0.000) 4.118 7.767 ( 0.000 4.118 0.000) 4.118 7.930 ( 0.000 -3.929 0.000) 3.929 7.930 ( 0.000 3.929 0.000) 3.929 8.156 ( 0.000 -5.251 0.000) 5.251 8.156 ( 0.000 5.251 0.000) 5.251 8.670 ( 0.000 -10.649 0.000) 10.649 8.670 ( 0.000 10.649 0.000) 10.649 9.095 ( 0.000 -2.068 0.000) 2.068 9.095 ( 0.000 2.068 0.000) 2.068 9.578 ( 0.000 -0.262 0.000) 0.262 9.578 ( 0.000 0.262 0.000) 0.262 9.696 ( 0.000 -1.813 0.000) 1.813 9.696 ( 0.000 1.813 0.000) 1.813 10.058 ( 0.000 -4.122 0.000) 4.122 10.058 ( 0.000 4.122 0.000) 4.122 10.212 ( 0.000 -1.429 0.000) 1.429 10.212 ( 0.000 1.429 0.000) 1.429 10.995 ( 0.000 -4.600 0.000) 4.600 10.995 ( 0.000 4.600 0.000) 4.600 11.168 ( 0.000 -9.294 0.000) 9.294 11.168 ( 0.000 9.294 0.000) 9.294 12.179 ( 0.000 -4.528 0.000) 4.528 12.179 ( 0.000 4.528 0.000) 4.528 12.636 ( 0.000 -0.734 0.000) 0.734 12.636 ( 0.000 0.734 0.000) 0.734 13.138 ( 0.000 -8.181 0.000) 8.181 13.138 ( 0.000 8.181 0.000) 8.181 14.049 ( 0.000 -7.009 0.000) 7.009 14.049 ( 0.000 7.009 0.000) 7.009 14.294 ( 0.000 -7.492 0.000) 7.492 14.294 ( 0.000 7.492 0.000) 7.492 14.931 ( 0.000 -2.334 0.000) 2.334 14.931 ( 0.000 2.334 0.000) 2.334 15.151 ( 0.000 -4.584 0.000) 4.584 15.151 ( 0.000 4.584 0.000) 4.584 15.935 ( 0.000 -5.124 0.000) 5.124 15.935 ( 0.000 5.124 0.000) 5.124 16.245 ( 0.000 -1.188 0.000) 1.188 16.245 ( 0.000 1.188 0.000) 1.188 16.580 ( 0.000 -4.720 0.000) 4.720 16.580 ( 0.000 4.720 0.000) 4.720 17.209 ( 0.000 -0.680 0.000) 0.680 17.209 ( 0.000 0.680 0.000) 0.680 17.536 ( 0.000 -2.313 0.000) 2.313 17.536 ( 0.000 2.313 0.000) 2.313 18.091 ( 0.000 -8.230 0.000) 8.230 18.091 ( 0.000 8.230 0.000) 8.230 18.685 ( 0.000 -6.943 0.000) 6.943 18.685 ( 0.000 6.943 0.000) 6.943 19.020 ( 0.000 -1.691 0.000) 1.691 19.020 ( 0.000 1.691 0.000) 1.691 19.201 ( 0.000 -1.240 0.000) 1.240 19.201 ( 0.000 1.240 0.000) 1.240 19.751 ( 0.000 -7.087 0.000) 7.087 19.751 ( 0.000 7.087 0.000) 7.087 20.371 ( 0.000 -6.563 0.000) 6.563 20.371 ( 0.000 6.563 0.000) 6.563 20.854 ( 0.000 -6.536 0.000) 6.536 20.854 ( 0.000 6.536 0.000) 6.536 21.315 ( 0.000 -1.549 0.000) 1.549 21.315 ( 0.000 1.549 0.000) 1.549 21.653 ( 0.000 -3.470 0.000) 3.470 21.653 ( 0.000 3.470 0.000) 3.470 22.312 ( 0.000 -4.414 0.000) 4.414 22.312 ( 0.000 4.414 0.000) 4.414 ======================= Grid point 35 (20/72) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 5.687 -19.642 0.000) 20.448 1.525 ( 5.687 19.642 0.000) 20.448 1.674 ( 5.943 -24.011 0.000) 24.735 1.674 ( 5.943 24.011 0.000) 24.735 2.572 ( 0.599 -5.043 0.000) 5.079 2.572 ( 0.599 5.043 0.000) 5.079 2.753 ( 3.614 -3.042 0.000) 4.724 2.753 ( 3.614 3.042 0.000) 4.724 2.864 ( 6.246 -17.909 0.000) 18.967 2.864 ( 6.246 17.909 0.000) 18.967 2.975 ( -2.226 -1.357 0.000) 2.607 2.975 ( -2.226 1.357 0.000) 2.607 3.232 ( 3.119 -8.809 0.000) 9.345 3.232 ( 3.119 8.809 0.000) 9.345 3.461 ( -0.560 -3.226 0.000) 3.274 3.461 ( -0.560 3.226 0.000) 3.274 3.666 ( -0.674 -5.658 0.000) 5.698 3.666 ( -0.674 5.658 0.000) 5.698 3.856 ( 0.762 -12.434 0.000) 12.457 3.856 ( 0.762 12.434 0.000) 12.457 4.063 ( -4.781 -3.905 0.000) 6.173 4.063 ( -4.781 3.905 0.000) 6.173 4.547 ( -0.815 -1.420 0.000) 1.637 4.547 ( -0.815 1.420 0.000) 1.637 4.915 ( 0.380 -8.797 0.000) 8.805 4.915 ( 0.380 8.797 0.000) 8.805 5.279 ( -5.647 -3.837 0.000) 6.827 5.279 ( -5.647 3.837 0.000) 6.827 5.483 ( -1.190 -2.613 0.000) 2.871 5.483 ( -1.190 2.613 0.000) 2.871 5.537 ( 5.574 -7.873 0.000) 9.647 5.537 ( 5.574 7.873 0.000) 9.647 5.730 ( 2.929 -7.544 0.000) 8.092 5.730 ( 2.929 7.544 0.000) 8.092 6.010 ( 2.731 -2.799 0.000) 3.910 6.010 ( 2.731 2.799 0.000) 3.910 6.146 ( -1.273 -4.460 0.000) 4.638 6.146 ( -1.273 4.460 0.000) 4.638 6.289 ( -1.987 -4.728 0.000) 5.128 6.289 ( -1.987 4.728 0.000) 5.128 7.392 ( -1.293 -3.249 0.000) 3.497 7.392 ( -1.293 3.249 0.000) 3.497 7.760 ( -0.875 -3.570 0.000) 3.675 7.760 ( -0.875 3.570 0.000) 3.675 7.935 ( 0.379 -4.175 0.000) 4.192 7.935 ( 0.379 4.175 0.000) 4.192 8.158 ( 0.072 -6.069 0.000) 6.069 8.158 ( 0.072 6.069 0.000) 6.069 8.643 ( -2.951 -9.913 0.000) 10.343 8.643 ( -2.951 9.913 0.000) 10.343 8.989 ( -8.545 -4.010 0.000) 9.439 8.989 ( -8.545 4.010 0.000) 9.439 9.542 ( -0.423 -3.211 0.000) 3.239 9.542 ( -0.423 3.211 0.000) 3.239 9.799 ( 5.166 -1.015 0.000) 5.265 9.799 ( 5.166 1.015 0.000) 5.265 10.118 ( 5.221 -4.265 0.000) 6.741 10.118 ( 5.221 4.265 0.000) 6.741 10.219 ( 1.622 -3.306 0.000) 3.683 10.219 ( 1.622 3.306 0.000) 3.683 11.056 ( 5.872 -1.941 0.000) 6.185 11.056 ( 5.872 1.941 0.000) 6.185 11.265 ( 9.108 -5.050 0.000) 10.414 11.265 ( 9.108 5.050 0.000) 10.414 12.175 ( -0.061 -4.180 0.000) 4.181 12.175 ( -0.061 4.180 0.000) 4.181 12.649 ( 1.256 -0.479 0.000) 1.344 12.649 ( 1.256 0.479 0.000) 1.344 13.175 ( 3.657 -8.293 0.000) 9.064 13.175 ( 3.657 8.293 0.000) 9.064 13.923 ( -11.375 -5.366 0.000) 12.577 13.923 ( -11.375 5.366 0.000) 12.577 14.317 ( 1.685 -4.912 0.000) 5.193 14.317 ( 1.685 4.912 0.000) 5.193 14.860 ( -6.229 -2.660 0.000) 6.773 14.860 ( -6.229 2.660 0.000) 6.773 15.141 ( -1.455 -3.791 0.000) 4.061 15.141 ( -1.455 3.791 0.000) 4.061 15.906 ( -3.343 -7.502 0.000) 8.213 15.906 ( -3.343 7.502 0.000) 8.213 16.252 ( 0.573 -3.664 0.000) 3.709 16.252 ( 0.573 3.664 0.000) 3.709 16.612 ( 3.055 -5.130 0.000) 5.971 16.612 ( 3.055 5.130 0.000) 5.971 17.247 ( 4.068 -2.008 0.000) 4.537 17.247 ( 4.068 2.008 0.000) 4.537 17.603 ( 5.868 -4.374 0.000) 7.319 17.603 ( 5.868 4.374 0.000) 7.319 18.121 ( 2.965 -8.165 0.000) 8.686 18.121 ( 2.965 8.165 0.000) 8.686 18.670 ( -2.091 -6.610 0.000) 6.933 18.670 ( -2.091 6.610 0.000) 6.933 18.978 ( -2.883 -3.136 0.000) 4.260 18.978 ( -2.883 3.136 0.000) 4.260 19.171 ( -3.052 -4.081 0.000) 5.095 19.171 ( -3.052 4.081 0.000) 5.095 19.795 ( 3.859 -6.629 0.000) 7.671 19.795 ( 3.859 6.629 0.000) 7.671 20.359 ( -1.131 -7.007 0.000) 7.098 20.359 ( -1.131 7.007 0.000) 7.098 20.854 ( -0.017 -6.436 0.000) 6.436 20.854 ( -0.017 6.436 0.000) 6.436 21.272 ( -4.322 -3.306 0.000) 5.441 21.272 ( -4.322 3.306 0.000) 5.441 21.652 ( 0.259 -3.244 0.000) 3.254 21.652 ( 0.259 3.244 0.000) 3.254 22.313 ( -0.327 -5.601 0.000) 5.611 22.313 ( -0.327 5.601 0.000) 5.611 ======================= Grid point 37 (21/72) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 8.354 -14.934 0.000) 17.112 1.659 ( 8.354 14.934 0.000) 17.112 1.845 ( 11.309 -15.775 0.000) 19.409 1.845 ( 11.309 15.775 0.000) 19.409 2.567 ( -1.991 -1.732 0.000) 2.639 2.567 ( -1.991 1.732 0.000) 2.639 2.797 ( 0.982 -1.788 0.000) 2.040 2.797 ( 0.982 1.788 0.000) 2.040 2.948 ( 0.709 -0.563 0.000) 0.905 2.948 ( 0.709 0.563 0.000) 0.905 3.022 ( 8.144 -11.420 0.000) 14.026 3.022 ( 8.144 11.420 0.000) 14.026 3.257 ( -2.095 -5.607 0.000) 5.985 3.257 ( -2.095 5.607 0.000) 5.985 3.487 ( 3.298 -4.425 0.000) 5.519 3.487 ( 3.298 4.425 0.000) 5.519 3.650 ( -1.106 -5.912 0.000) 6.014 3.650 ( -1.106 5.912 0.000) 6.014 3.834 ( -3.076 -7.593 0.000) 8.193 3.834 ( -3.076 7.593 0.000) 8.193 4.009 ( 0.804 -8.457 0.000) 8.495 4.009 ( 0.804 8.457 0.000) 8.495 4.518 ( -2.011 -3.450 0.000) 3.993 4.518 ( -2.011 3.450 0.000) 3.993 4.924 ( 0.339 -11.121 0.000) 11.126 4.924 ( 0.339 11.121 0.000) 11.126 5.157 ( -6.405 -4.696 0.000) 7.942 5.157 ( -6.405 4.696 0.000) 7.942 5.460 ( -0.933 -0.221 0.000) 0.959 5.460 ( -0.933 0.221 0.000) 0.959 5.626 ( 3.242 -9.283 0.000) 9.832 5.626 ( 3.242 9.283 0.000) 9.832 5.845 ( 7.701 -7.102 0.000) 10.476 5.845 ( 7.701 7.102 0.000) 10.476 6.010 ( -2.358 -2.639 0.000) 3.539 6.010 ( -2.358 2.639 0.000) 3.539 6.135 ( 0.281 -6.219 0.000) 6.226 6.135 ( 0.281 6.219 0.000) 6.226 6.255 ( -1.382 -4.880 0.000) 5.072 6.255 ( -1.382 4.880 0.000) 5.072 7.378 ( 0.287 -4.359 0.000) 4.369 7.378 ( 0.287 4.359 0.000) 4.369 7.737 ( -1.321 -2.883 0.000) 3.171 7.737 ( -1.321 2.883 0.000) 3.171 7.933 ( -0.951 -5.385 0.000) 5.468 7.933 ( -0.951 5.385 0.000) 5.468 8.150 ( -1.340 -6.723 0.000) 6.855 8.150 ( -1.340 6.723 0.000) 6.855 8.562 ( -4.728 -7.646 0.000) 8.989 8.562 ( -4.728 7.646 0.000) 8.989 8.846 ( -5.726 -5.143 0.000) 7.697 8.846 ( -5.726 5.143 0.000) 7.697 9.569 ( 2.700 -3.013 0.000) 4.046 9.569 ( 2.700 3.013 0.000) 4.046 9.847 ( 0.513 -2.570 0.000) 2.621 9.847 ( 0.513 2.570 0.000) 2.621 10.188 ( 2.020 -2.430 0.000) 3.160 10.188 ( 2.020 2.430 0.000) 3.160 10.313 ( 7.159 -2.888 0.000) 7.719 10.313 ( 7.159 2.888 0.000) 7.719 11.193 ( 7.687 -1.405 0.000) 7.815 11.193 ( 7.687 1.405 0.000) 7.815 11.457 ( 9.397 -3.191 0.000) 9.924 11.457 ( 9.397 3.191 0.000) 9.924 12.193 ( 2.378 -3.458 0.000) 4.197 12.193 ( 2.378 3.458 0.000) 4.197 12.678 ( 1.580 -0.649 0.000) 1.708 12.678 ( 1.580 0.649 0.000) 1.708 13.261 ( 4.765 -8.737 0.000) 9.952 13.261 ( 4.765 8.737 0.000) 9.952 13.685 ( -11.845 -4.404 0.000) 12.637 13.685 ( -11.845 4.404 0.000) 12.637 14.347 ( 1.333 -3.789 0.000) 4.016 14.347 ( 1.333 3.789 0.000) 4.016 14.732 ( -6.453 -2.860 0.000) 7.059 14.732 ( -6.453 2.860 0.000) 7.059 15.093 ( -3.287 -3.831 0.000) 5.048 15.093 ( -3.287 3.831 0.000) 5.048 15.797 ( -8.057 -9.665 0.000) 12.583 15.797 ( -8.057 9.665 0.000) 12.583 16.273 ( 2.091 -1.838 0.000) 2.784 16.273 ( 2.091 1.838 0.000) 2.784 16.691 ( 4.885 -6.329 0.000) 7.995 16.691 ( 4.885 6.329 0.000) 7.995 17.348 ( 5.935 -2.851 0.000) 6.584 17.348 ( 5.935 2.851 0.000) 6.584 17.719 ( 5.435 -4.566 0.000) 7.098 17.719 ( 5.435 4.566 0.000) 7.098 18.190 ( 3.867 -8.423 0.000) 9.268 18.190 ( 3.867 8.423 0.000) 9.268 18.597 ( -4.947 -6.162 0.000) 7.902 18.597 ( -4.947 6.162 0.000) 7.902 18.951 ( -0.164 -5.479 0.000) 5.482 18.951 ( -0.164 5.479 0.000) 5.482 19.107 ( -2.777 -4.953 0.000) 5.678 19.107 ( -2.777 4.953 0.000) 5.678 19.868 ( 3.292 -7.234 0.000) 7.948 19.868 ( 3.292 7.234 0.000) 7.948 20.334 ( -1.517 -8.135 0.000) 8.276 20.334 ( -1.517 8.135 0.000) 8.276 20.855 ( 0.105 -6.159 0.000) 6.160 20.855 ( 0.105 6.159 0.000) 6.160 21.167 ( -6.130 -4.877 0.000) 7.833 21.167 ( -6.130 4.877 0.000) 7.833 21.671 ( 1.776 -3.393 0.000) 3.830 21.671 ( 1.776 3.393 0.000) 3.830 22.286 ( -2.656 -5.854 0.000) 6.428 22.286 ( -2.656 5.854 0.000) 6.428 ======================= Grid point 39 (22/72) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 12.168 -8.238 0.000) 14.694 1.856 ( 12.168 8.238 0.000) 14.694 2.067 ( 10.531 -8.219 0.000) 13.359 2.067 ( 10.531 8.219 0.000) 13.359 2.503 ( -3.059 -4.895 0.000) 5.773 2.503 ( -3.059 4.895 0.000) 5.773 2.815 ( 0.251 -2.005 0.000) 2.021 2.815 ( 0.251 2.005 0.000) 2.021 2.962 ( 1.160 -1.190 0.000) 1.662 2.962 ( 1.160 1.190 0.000) 1.662 3.112 ( -3.988 -1.238 0.000) 4.176 3.112 ( -3.988 1.238 0.000) 4.176 3.180 ( -1.664 -2.271 0.000) 2.815 3.180 ( -1.664 2.271 0.000) 2.815 3.529 ( 0.557 -4.319 0.000) 4.355 3.529 ( 0.557 4.319 0.000) 4.355 3.615 ( -2.248 -4.948 0.000) 5.435 3.615 ( -2.248 4.948 0.000) 5.435 3.796 ( -0.653 -4.726 0.000) 4.771 3.796 ( -0.653 4.726 0.000) 4.771 4.096 ( 7.663 -10.680 0.000) 13.145 4.096 ( 7.663 10.680 0.000) 13.145 4.489 ( -0.500 -5.106 0.000) 5.130 4.489 ( -0.500 5.106 0.000) 5.130 4.912 ( -1.808 -11.751 0.000) 11.889 4.912 ( -1.808 11.751 0.000) 11.889 5.058 ( -3.734 -6.703 0.000) 7.673 5.058 ( -3.734 6.703 0.000) 7.673 5.450 ( 0.020 -2.705 0.000) 2.705 5.450 ( 0.020 2.705 0.000) 2.705 5.646 ( -1.495 -7.221 0.000) 7.374 5.646 ( -1.495 7.221 0.000) 7.374 5.934 ( 0.319 -4.362 0.000) 4.373 5.934 ( 0.319 4.362 0.000) 4.373 6.023 ( 5.446 -6.756 0.000) 8.678 6.023 ( 5.446 6.756 0.000) 8.678 6.145 ( 0.847 -4.579 0.000) 4.657 6.145 ( 0.847 4.579 0.000) 4.657 6.234 ( -0.873 -4.815 0.000) 4.894 6.234 ( -0.873 4.815 0.000) 4.894 7.412 ( 3.227 -4.692 0.000) 5.695 7.412 ( 3.227 4.692 0.000) 5.695 7.711 ( -1.477 -3.005 0.000) 3.348 7.711 ( -1.477 3.005 0.000) 3.348 7.893 ( -3.148 -6.625 0.000) 7.335 7.893 ( -3.148 6.625 0.000) 7.335 8.082 ( -5.931 -6.443 0.000) 8.757 8.082 ( -5.931 6.443 0.000) 8.757 8.507 ( -0.302 -7.720 0.000) 7.726 8.507 ( -0.302 7.720 0.000) 7.726 8.767 ( -2.944 -4.574 0.000) 5.440 8.767 ( -2.944 4.574 0.000) 5.440 9.627 ( 3.104 -2.085 0.000) 3.739 9.627 ( 3.104 2.085 0.000) 3.739 9.841 ( -0.986 -3.278 0.000) 3.423 9.841 ( -0.986 3.278 0.000) 3.423 10.219 ( 1.478 -2.490 0.000) 2.895 10.219 ( 1.478 2.490 0.000) 2.895 10.445 ( 6.171 -1.802 0.000) 6.429 10.445 ( 6.171 1.802 0.000) 6.429 11.324 ( 5.458 -1.980 0.000) 5.806 11.324 ( 5.458 1.980 0.000) 5.806 11.589 ( 4.302 -3.563 0.000) 5.586 11.589 ( 4.302 3.563 0.000) 5.586 12.271 ( 5.355 -2.773 0.000) 6.031 12.271 ( 5.355 2.773 0.000) 6.031 12.699 ( 0.252 -2.363 0.000) 2.377 12.699 ( 0.252 2.363 0.000) 2.377 13.331 ( 2.147 -9.880 0.000) 10.111 13.331 ( 2.147 9.880 0.000) 10.111 13.518 ( -4.875 -9.708 0.000) 10.863 13.518 ( -4.875 9.708 0.000) 10.863 14.365 ( 0.514 -2.665 0.000) 2.714 14.365 ( 0.514 2.665 0.000) 2.714 14.630 ( -4.050 -2.909 0.000) 4.987 14.630 ( -4.050 2.909 0.000) 4.987 15.032 ( -2.530 -4.186 0.000) 4.892 15.032 ( -2.530 4.186 0.000) 4.892 15.615 ( -10.224 -8.393 0.000) 13.228 15.615 ( -10.224 8.393 0.000) 13.228 16.335 ( 4.051 -1.215 0.000) 4.230 16.335 ( 4.051 1.215 0.000) 4.230 16.776 ( 3.493 -7.387 0.000) 8.171 16.776 ( 3.493 7.387 0.000) 8.171 17.462 ( 5.950 -1.346 0.000) 6.100 17.462 ( 5.950 1.346 0.000) 6.100 17.786 ( 1.115 -1.210 0.000) 1.645 17.786 ( 1.115 1.210 0.000) 1.645 18.269 ( 4.475 -8.122 0.000) 9.273 18.269 ( 4.475 8.122 0.000) 9.273 18.511 ( -3.505 -7.566 0.000) 8.339 18.511 ( -3.505 7.566 0.000) 8.339 18.947 ( -0.420 -5.060 0.000) 5.078 18.947 ( -0.420 5.060 0.000) 5.078 19.080 ( -0.494 -2.378 0.000) 2.429 19.080 ( -0.494 2.378 0.000) 2.429 19.922 ( 2.772 -9.131 0.000) 9.542 19.922 ( 2.772 9.131 0.000) 9.542 20.293 ( -3.011 -9.510 0.000) 9.975 20.293 ( -3.011 9.510 0.000) 9.975 20.857 ( 0.162 -5.409 0.000) 5.411 20.857 ( 0.162 5.409 0.000) 5.411 21.056 ( -5.057 -3.738 0.000) 6.288 21.056 ( -5.057 3.738 0.000) 6.288 21.717 ( 2.915 -3.161 0.000) 4.300 21.717 ( 2.915 3.161 0.000) 4.300 22.215 ( -4.488 -4.878 0.000) 6.629 22.215 ( -4.488 4.878 0.000) 6.629 ======================= Grid point 41 (23/72) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 8.780 -0.576 0.000) 8.799 2.087 ( 8.780 0.576 0.000) 8.799 2.203 ( 5.744 -5.181 0.000) 7.735 2.203 ( 5.744 5.181 0.000) 7.735 2.521 ( 4.766 -3.483 0.000) 5.903 2.521 ( 4.766 3.483 0.000) 5.903 2.772 ( -5.146 -1.468 0.000) 5.352 2.772 ( -5.146 1.468 0.000) 5.352 2.925 ( -5.347 -2.889 0.000) 6.078 2.925 ( -5.347 2.889 0.000) 6.078 3.060 ( 1.365 -2.597 0.000) 2.934 3.060 ( 1.365 2.597 0.000) 2.934 3.122 ( -3.591 -0.849 0.000) 3.690 3.122 ( -3.591 0.849 0.000) 3.690 3.471 ( -6.111 -3.656 0.000) 7.121 3.471 ( -6.111 3.656 0.000) 7.121 3.637 ( 3.872 -6.957 0.000) 7.962 3.637 ( 3.872 6.957 0.000) 7.962 3.779 ( -1.346 -3.501 0.000) 3.751 3.779 ( -1.346 3.501 0.000) 3.751 4.262 ( 8.736 -5.498 0.000) 10.322 4.262 ( 8.736 5.498 0.000) 10.322 4.494 ( 0.075 -4.859 0.000) 4.860 4.494 ( 0.075 4.859 0.000) 4.860 4.873 ( -1.437 -6.030 0.000) 6.199 4.873 ( -1.437 6.030 0.000) 6.199 4.994 ( -3.419 -5.447 0.000) 6.431 4.994 ( -3.419 5.447 0.000) 6.431 5.467 ( 1.851 -4.974 0.000) 5.307 5.467 ( 1.851 4.974 0.000) 5.307 5.586 ( -3.832 -6.162 0.000) 7.256 5.586 ( -3.832 6.162 0.000) 7.256 5.943 ( 0.720 -4.290 0.000) 4.350 5.943 ( 0.720 4.290 0.000) 4.350 6.113 ( 2.971 -8.018 0.000) 8.551 6.113 ( 2.971 8.018 0.000) 8.551 6.171 ( 1.773 -1.239 0.000) 2.163 6.171 ( 1.773 1.239 0.000) 2.163 6.221 ( -0.527 -4.216 0.000) 4.249 6.221 ( -0.527 4.216 0.000) 4.249 7.495 ( 5.156 -5.595 0.000) 7.608 7.495 ( 5.156 5.595 0.000) 7.608 7.673 ( -2.736 -4.156 0.000) 4.976 7.673 ( -2.736 4.156 0.000) 4.976 7.824 ( -3.523 -5.868 0.000) 6.844 7.824 ( -3.523 5.868 0.000) 6.844 7.959 ( -5.541 -3.749 0.000) 6.690 7.959 ( -5.541 3.749 0.000) 6.690 8.539 ( 2.828 -6.238 0.000) 6.849 8.539 ( 2.828 6.238 0.000) 6.849 8.720 ( -2.148 -3.765 0.000) 4.335 8.720 ( -2.148 3.765 0.000) 4.335 9.686 ( 3.152 -1.937 0.000) 3.700 9.686 ( 3.152 1.937 0.000) 3.700 9.808 ( -2.427 -3.382 0.000) 4.163 9.808 ( -2.427 3.382 0.000) 4.163 10.245 ( 1.089 -1.710 0.000) 2.027 10.245 ( 1.089 1.710 0.000) 2.027 10.539 ( 3.484 -0.838 0.000) 3.583 10.539 ( 3.484 0.838 0.000) 3.583 11.396 ( 2.247 -1.251 0.000) 2.572 11.396 ( 2.247 1.251 0.000) 2.572 11.635 ( 0.951 -2.083 0.000) 2.290 11.635 ( 0.951 2.083 0.000) 2.290 12.375 ( 4.912 -2.162 0.000) 5.367 12.375 ( 4.912 2.162 0.000) 5.367 12.680 ( -1.940 -3.465 0.000) 3.971 12.680 ( -1.940 3.465 0.000) 3.971 13.364 ( 2.199 -9.784 0.000) 10.028 13.364 ( 2.199 9.784 0.000) 10.028 13.473 ( -1.361 -10.495 0.000) 10.583 13.473 ( -1.361 10.495 0.000) 10.583 14.372 ( 0.474 -1.398 0.000) 1.477 14.372 ( 0.474 1.398 0.000) 1.477 14.568 ( -2.730 -1.567 0.000) 3.147 14.568 ( -2.730 1.567 0.000) 3.147 15.015 ( 0.876 -3.157 0.000) 3.277 15.015 ( 0.876 3.157 0.000) 3.277 15.432 ( -8.202 -5.748 0.000) 10.016 15.432 ( -8.202 5.748 0.000) 10.016 16.411 ( 3.422 -0.897 0.000) 3.537 16.411 ( 3.422 0.897 0.000) 3.537 16.816 ( 0.812 -5.092 0.000) 5.156 16.816 ( 0.812 5.092 0.000) 5.156 17.576 ( 5.881 -2.862 0.000) 6.541 17.576 ( 5.881 2.862 0.000) 6.541 17.763 ( -3.021 -4.622 0.000) 5.522 17.763 ( -3.021 4.622 0.000) 5.522 18.348 ( 3.085 -8.124 0.000) 8.690 18.348 ( 3.085 8.124 0.000) 8.690 18.475 ( -0.304 -9.396 0.000) 9.401 18.475 ( -0.304 9.396 0.000) 9.401 18.950 ( 1.187 -3.660 0.000) 3.848 18.950 ( 1.187 3.660 0.000) 3.848 19.059 ( -2.173 -0.671 0.000) 2.275 19.059 ( -2.173 0.671 0.000) 2.275 19.987 ( 4.106 -10.040 0.000) 10.848 19.987 ( 4.106 10.040 0.000) 10.848 20.214 ( -5.035 -10.578 0.000) 11.715 20.214 ( -5.035 10.578 0.000) 11.715 20.860 ( 0.137 -3.509 0.000) 3.512 20.860 ( 0.137 3.509 0.000) 3.512 20.983 ( -2.492 -1.571 0.000) 2.945 20.983 ( -2.492 1.571 0.000) 2.945 21.776 ( 2.891 -2.109 0.000) 3.578 21.776 ( 2.891 2.109 0.000) 3.578 22.128 ( -4.114 -3.214 0.000) 5.221 22.128 ( -4.114 3.214 0.000) 5.221 ======================= Grid point 43 (24/72) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 0.000 -0.000 0.000) 0.000 2.133 ( 0.000 0.000 0.000) 0.000 2.328 ( 0.000 0.000 0.000) 0.000 2.328 ( 0.000 0.000 0.000) 0.000 2.581 ( -0.000 0.000 0.000) 0.000 2.581 ( 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 2.923 ( 0.000 0.000 0.000) 0.000 2.923 ( 0.000 0.000 0.000) 0.000 2.969 ( -0.000 -0.000 0.000) 0.000 2.969 ( -0.000 0.000 0.000) 0.000 3.163 ( 0.000 0.000 0.000) 0.000 3.163 ( 0.000 0.000 0.000) 0.000 3.381 ( 0.000 0.000 0.000) 0.000 3.381 ( 0.000 0.000 0.000) 0.000 3.688 ( 0.000 0.000 0.000) 0.000 3.688 ( 0.000 0.000 0.000) 0.000 3.758 ( -0.000 -0.000 0.000) 0.000 3.758 ( 0.000 0.000 0.000) 0.000 4.380 ( 0.000 0.000 0.000) 0.000 4.380 ( 0.000 0.000 0.000) 0.000 4.470 ( 0.000 -0.000 0.000) 0.000 4.470 ( 0.000 0.000 0.000) 0.000 4.867 ( 0.000 -0.000 0.000) 0.000 4.867 ( 0.000 0.000 0.000) 0.000 4.949 ( 0.000 -0.000 0.000) 0.000 4.949 ( 0.000 0.000 0.000) 0.000 5.516 ( 0.000 -0.000 0.000) 0.000 5.516 ( 0.000 0.000 0.000) 0.000 5.519 ( -0.000 -0.000 0.000) 0.000 5.519 ( -0.000 0.000 0.000) 0.000 5.951 ( 0.000 -0.000 0.000) 0.000 5.951 ( 0.000 0.000 0.000) 0.000 6.138 ( 0.000 -0.000 0.000) 0.000 6.138 ( 0.000 0.000 0.000) 0.000 6.195 ( 0.000 0.000 0.000) 0.000 6.195 ( 0.000 0.000 0.000) 0.000 6.214 ( 0.000 -0.000 0.000) 0.000 6.214 ( 0.000 0.000 0.000) 0.000 7.581 ( -0.000 -0.000 0.000) 0.000 7.581 ( 0.000 -0.000 0.000) 0.000 7.614 ( 0.000 0.000 0.000) 0.000 7.614 ( -0.000 0.000 0.000) 0.000 7.783 ( 0.000 -0.000 0.000) 0.000 7.783 ( 0.000 0.000 0.000) 0.000 7.904 ( 0.000 -0.000 0.000) 0.000 7.904 ( 0.000 0.000 0.000) 0.000 8.576 ( 0.000 0.000 0.000) 0.000 8.576 ( 0.000 0.000 0.000) 0.000 8.693 ( 0.000 -0.000 0.000) 0.000 8.693 ( 0.000 0.000 0.000) 0.000 9.741 ( 0.000 -0.000 0.000) 0.000 9.741 ( 0.000 0.000 0.000) 0.000 9.759 ( -0.000 -0.000 0.000) 0.000 9.759 ( 0.000 0.000 0.000) 0.000 10.256 ( 0.000 0.000 0.000) 0.000 10.256 ( 0.000 0.000 0.000) 0.000 10.573 ( 0.000 0.000 0.000) 0.000 10.573 ( 0.000 0.000 0.000) 0.000 11.417 ( 0.000 -0.000 0.000) 0.000 11.417 ( 0.000 0.000 0.000) 0.000 11.641 ( 0.000 -0.000 0.000) 0.000 11.641 ( 0.000 0.000 0.000) 0.000 12.430 ( 0.000 0.000 0.000) 0.000 12.430 ( 0.000 0.000 0.000) 0.000 12.653 ( 0.000 -0.000 0.000) 0.000 12.653 ( 0.000 0.000 0.000) 0.000 13.403 ( 0.000 -0.000 0.000) 0.000 13.403 ( 0.000 0.000 0.000) 0.000 13.448 ( 0.000 -0.000 0.000) 0.000 13.448 ( 0.000 0.000 0.000) 0.000 14.380 ( 0.000 -0.000 0.000) 0.000 14.380 ( 0.000 0.000 0.000) 0.000 14.536 ( 0.000 0.000 0.000) 0.000 14.536 ( 0.000 0.000 0.000) 0.000 15.036 ( 0.000 0.000 0.000) 0.000 15.036 ( 0.000 0.000 0.000) 0.000 15.342 ( 0.000 0.000 0.000) 0.000 15.342 ( 0.000 0.000 0.000) 0.000 16.447 ( 0.000 0.000 0.000) 0.000 16.447 ( 0.000 0.000 0.000) 0.000 16.821 ( 0.000 0.000 0.000) 0.000 16.821 ( 0.000 0.000 0.000) 0.000 17.670 ( 0.000 0.000 0.000) 0.000 17.670 ( 0.000 0.000 0.000) 0.000 17.696 ( -0.000 -0.000 0.000) 0.000 17.696 ( 0.000 0.000 0.000) 0.000 18.375 ( 0.000 -0.000 0.000) 0.000 18.375 ( 0.000 0.000 0.000) 0.000 18.479 ( -0.000 0.000 0.000) 0.000 18.479 ( 0.000 0.000 0.000) 0.000 18.988 ( 0.000 -0.000 0.000) 0.000 18.988 ( 0.000 0.000 0.000) 0.000 19.009 ( -0.000 -0.000 0.000) 0.000 19.009 ( 0.000 -0.000 0.000) 0.000 20.054 ( -0.000 0.000 0.000) 0.000 20.054 ( 0.000 0.000 0.000) 0.000 20.136 ( 0.000 -0.000 0.000) 0.000 20.136 ( 0.000 -0.000 0.000) 0.000 20.862 ( 0.000 0.000 0.000) 0.000 20.862 ( 0.000 0.000 0.000) 0.000 20.959 ( 0.000 0.000 0.000) 0.000 20.959 ( 0.000 0.000 0.000) 0.000 21.809 ( 0.000 0.000 0.000) 0.000 21.809 ( 0.000 0.000 0.000) 0.000 22.082 ( 0.000 -0.000 0.000) 0.000 22.082 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 77 (25/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 0.000 0.000 27.263) 27.263 0.623 ( 0.000 0.000 30.282) 30.282 1.100 ( 0.000 0.000 52.816) 52.816 2.017 ( 0.000 0.000 -16.792) 16.792 2.244 ( 0.000 0.000 -17.847) 17.847 2.382 ( 0.000 0.000 11.921) 11.921 2.601 ( 0.000 0.000 2.644) 2.644 2.760 ( 0.000 0.000 1.936) 1.936 2.881 ( 0.000 0.000 -0.589) 0.589 2.981 ( 0.000 0.000 5.118) 5.118 3.109 ( 0.000 0.000 -0.379) 0.379 3.182 ( 0.000 0.000 -2.890) 2.890 3.320 ( 0.000 0.000 6.117) 6.117 3.350 ( 0.000 0.000 -3.270) 3.270 3.430 ( 0.000 0.000 6.336) 6.336 3.512 ( 0.000 0.000 -1.493) 1.493 3.549 ( 0.000 0.000 -0.781) 0.781 3.796 ( 0.000 0.000 4.438) 4.438 3.830 ( 0.000 0.000 -12.967) 12.967 4.090 ( 0.000 0.000 -2.895) 2.895 4.108 ( 0.000 0.000 -7.999) 7.999 4.327 ( 0.000 0.000 -13.743) 13.743 4.545 ( 0.000 0.000 1.533) 1.533 4.694 ( 0.000 0.000 4.181) 4.181 4.708 ( 0.000 0.000 -1.317) 1.317 4.987 ( 0.000 0.000 -3.969) 3.969 5.017 ( 0.000 0.000 -1.635) 1.635 5.057 ( 0.000 0.000 4.026) 4.026 5.171 ( 0.000 0.000 -5.578) 5.578 5.320 ( 0.000 0.000 0.814) 0.814 5.517 ( 0.000 0.000 -2.252) 2.252 5.551 ( 0.000 0.000 5.413) 5.413 5.613 ( 0.000 0.000 -0.912) 0.912 5.692 ( 0.000 0.000 7.498) 7.498 5.887 ( 0.000 0.000 2.893) 2.893 5.935 ( 0.000 0.000 0.460) 0.460 6.156 ( 0.000 0.000 -0.929) 0.929 6.185 ( 0.000 0.000 -6.249) 6.249 6.511 ( 0.000 0.000 7.748) 7.748 6.720 ( 0.000 0.000 -0.372) 0.372 7.288 ( 0.000 0.000 0.747) 0.747 7.408 ( 0.000 0.000 -2.536) 2.536 7.774 ( 0.000 0.000 1.502) 1.502 7.828 ( 0.000 0.000 -1.060) 1.060 7.948 ( 0.000 0.000 -2.102) 2.102 8.051 ( 0.000 0.000 -1.104) 1.104 8.168 ( 0.000 0.000 5.843) 5.843 8.306 ( 0.000 0.000 1.399) 1.399 8.743 ( 0.000 0.000 -2.733) 2.733 8.747 ( 0.000 0.000 -2.356) 2.356 9.117 ( 0.000 0.000 1.520) 1.520 9.172 ( 0.000 0.000 0.774) 0.774 9.494 ( 0.000 0.000 2.975) 2.975 9.616 ( 0.000 0.000 0.833) 0.833 9.641 ( 0.000 0.000 1.910) 1.910 9.766 ( 0.000 0.000 -0.298) 0.298 10.019 ( 0.000 0.000 -0.664) 0.664 10.050 ( 0.000 0.000 -1.926) 1.926 10.157 ( 0.000 0.000 -2.776) 2.776 10.243 ( 0.000 0.000 -3.550) 3.550 10.551 ( 0.000 0.000 2.927) 2.927 10.729 ( 0.000 0.000 -1.660) 1.660 11.252 ( 0.000 0.000 2.431) 2.431 11.534 ( 0.000 0.000 -4.446) 4.446 12.398 ( 0.000 0.000 6.437) 6.437 12.580 ( 0.000 0.000 0.993) 0.993 12.647 ( 0.000 0.000 0.383) 0.383 12.696 ( 0.000 0.000 -1.244) 1.244 13.392 ( 0.000 0.000 -1.056) 1.056 13.453 ( 0.000 0.000 -1.801) 1.801 13.621 ( 0.000 0.000 0.613) 0.613 13.788 ( 0.000 0.000 -4.923) 4.923 14.394 ( 0.000 0.000 0.545) 0.545 14.465 ( 0.000 0.000 -2.399) 2.399 14.731 ( 0.000 0.000 10.142) 10.142 14.899 ( 0.000 0.000 1.000) 1.000 14.957 ( 0.000 0.000 -0.915) 0.915 15.186 ( 0.000 0.000 -1.600) 1.600 15.761 ( 0.000 0.000 2.633) 2.633 15.966 ( 0.000 0.000 -2.456) 2.456 16.307 ( 0.000 0.000 -2.374) 2.374 16.370 ( 0.000 0.000 -5.857) 5.857 16.858 ( 0.000 0.000 4.095) 4.095 16.939 ( 0.000 0.000 -1.278) 1.278 16.968 ( 0.000 0.000 2.816) 2.816 17.137 ( 0.000 0.000 0.572) 0.572 17.769 ( 0.000 0.000 0.594) 0.594 17.846 ( 0.000 0.000 -1.271) 1.271 17.868 ( 0.000 0.000 3.827) 3.827 18.280 ( 0.000 0.000 -6.185) 6.185 18.488 ( 0.000 0.000 2.406) 2.406 18.524 ( 0.000 0.000 0.752) 0.752 18.903 ( 0.000 0.000 -0.306) 0.306 19.030 ( 0.000 0.000 -4.072) 4.072 19.100 ( 0.000 0.000 1.326) 1.326 19.156 ( 0.000 0.000 0.498) 0.498 19.502 ( 0.000 0.000 0.393) 0.393 19.534 ( 0.000 0.000 -0.372) 0.372 20.142 ( 0.000 0.000 3.403) 3.403 20.336 ( 0.000 0.000 -1.326) 1.326 20.472 ( 0.000 0.000 7.657) 7.657 20.945 ( 0.000 0.000 -0.531) 0.531 21.104 ( 0.000 0.000 -2.063) 2.063 21.192 ( 0.000 0.000 -6.383) 6.383 21.801 ( 0.000 0.000 1.501) 1.501 21.898 ( 0.000 0.000 -1.003) 1.003 22.478 ( 0.000 0.000 0.388) 0.388 22.512 ( 0.000 0.000 -0.302) 0.302 ======================= Grid point 78 (26/72) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 21.206 0.000 18.330) 28.030 0.889 ( 19.779 0.000 22.902) 30.261 1.478 ( 35.659 0.000 35.791) 50.523 2.094 ( 7.312 0.000 -16.428) 17.982 2.269 ( 2.308 0.000 -14.962) 15.139 2.380 ( 0.244 0.000 11.682) 11.685 2.664 ( 5.889 0.000 1.872) 6.179 2.782 ( 2.372 0.000 1.665) 2.898 2.885 ( 0.339 0.000 -0.610) 0.698 2.994 ( 0.785 0.000 2.074) 2.217 3.063 ( -3.752 0.000 0.975) 3.876 3.172 ( -1.524 0.000 -3.305) 3.639 3.295 ( -0.542 0.000 6.688) 6.710 3.332 ( -1.818 0.000 -0.581) 1.909 3.382 ( -3.458 0.000 3.112) 4.652 3.518 ( -1.607 0.000 -0.110) 1.611 3.533 ( -1.342 0.000 -0.119) 1.347 3.742 ( -3.392 0.000 0.226) 3.399 3.861 ( 1.492 0.000 -8.428) 8.558 4.036 ( -4.953 0.000 -3.247) 5.922 4.070 ( -3.807 0.000 -6.584) 7.605 4.304 ( -2.232 0.000 -13.857) 14.035 4.532 ( -1.034 0.000 0.452) 1.128 4.674 ( -0.910 0.000 2.584) 2.739 4.761 ( 1.393 0.000 -1.820) 2.292 4.933 ( -3.746 0.000 2.022) 4.257 4.952 ( -4.748 0.000 0.760) 4.809 5.091 ( 4.025 0.000 -3.957) 5.644 5.152 ( -1.226 0.000 -2.752) 3.013 5.338 ( 0.855 0.000 0.611) 1.051 5.491 ( -1.907 0.000 4.796) 5.161 5.603 ( 2.745 0.000 0.327) 2.764 5.704 ( 5.530 0.000 -0.901) 5.603 5.793 ( 7.410 0.000 -1.510) 7.562 5.933 ( 4.306 0.000 2.210) 4.840 5.994 ( 5.739 0.000 -0.179) 5.742 6.163 ( -1.316 0.000 -2.021) 2.412 6.183 ( 2.189 0.000 -1.590) 2.706 6.452 ( -4.474 0.000 7.935) 9.109 6.706 ( -3.382 0.000 -1.836) 3.848 7.279 ( -0.345 0.000 1.069) 1.123 7.425 ( 0.979 0.000 -2.974) 3.131 7.745 ( -3.662 0.000 3.127) 4.815 7.812 ( -0.434 0.000 -2.143) 2.186 7.878 ( -6.550 0.000 3.094) 7.244 7.954 ( -2.311 0.000 2.335) 3.286 8.178 ( 0.260 0.000 5.789) 5.795 8.366 ( 4.810 0.000 0.186) 4.813 8.648 ( -7.219 0.000 -2.557) 7.658 8.672 ( -7.136 0.000 -2.256) 7.484 9.115 ( -0.335 0.000 0.971) 1.027 9.208 ( 0.405 0.000 0.261) 0.481 9.518 ( 2.021 0.000 1.437) 2.480 9.562 ( -1.781 0.000 -0.314) 1.808 9.711 ( 0.224 0.000 -0.826) 0.856 9.725 ( -2.569 0.000 -0.960) 2.742 10.059 ( 2.242 0.000 0.241) 2.255 10.079 ( 1.328 0.000 0.039) 1.329 10.162 ( 6.479 0.000 -2.760) 7.042 10.369 ( 7.537 0.000 -8.262) 11.184 10.668 ( 10.579 0.000 1.977) 10.762 10.801 ( 6.760 0.000 -1.148) 6.857 11.345 ( 7.642 0.000 -1.740) 7.837 11.570 ( 3.370 0.000 -5.168) 6.170 12.400 ( 0.101 0.000 6.020) 6.021 12.568 ( -2.790 0.000 5.851) 6.482 12.600 ( -3.193 0.000 4.251) 5.316 12.734 ( 2.537 0.000 -1.180) 2.798 12.878 ( -17.074 0.000 18.773) 25.376 13.557 ( -5.452 0.000 -3.925) 6.718 13.690 ( 1.632 0.000 -4.192) 4.498 13.853 ( 7.258 0.000 -7.936) 10.755 14.322 ( -7.585 0.000 5.791) 9.543 14.390 ( -0.800 0.000 0.098) 0.806 14.593 ( -3.655 0.000 6.970) 7.870 14.841 ( -5.196 0.000 -0.579) 5.228 15.134 ( -3.233 0.000 0.307) 3.247 15.192 ( 6.429 0.000 -3.906) 7.523 15.628 ( -11.552 0.000 5.169) 12.655 15.996 ( 5.634 0.000 -0.594) 5.665 16.271 ( -0.251 0.000 -4.364) 4.371 16.299 ( -6.625 0.000 -6.187) 9.065 16.800 ( -4.746 0.000 8.105) 9.392 16.971 ( 7.859 0.000 3.184) 8.480 17.128 ( 1.267 0.000 -1.593) 2.036 17.240 ( 9.226 0.000 -10.335) 13.854 17.722 ( -3.818 0.000 3.086) 4.909 17.797 ( -0.933 0.000 4.638) 4.731 17.869 ( -1.023 0.000 2.505) 2.706 18.311 ( 3.851 0.000 -6.144) 7.251 18.533 ( 3.872 0.000 0.916) 3.979 18.581 ( 5.099 0.000 1.460) 5.304 18.903 ( -0.185 0.000 -0.404) 0.444 19.020 ( -0.993 0.000 -3.987) 4.109 19.176 ( 1.773 0.000 1.658) 2.427 19.486 ( 1.429 0.000 -2.680) 3.037 19.527 ( -0.725 0.000 -0.005) 0.725 19.617 ( 22.566 0.000 -23.335) 32.462 20.146 ( 2.630 0.000 0.256) 2.642 20.348 ( 0.028 0.000 -2.594) 2.594 20.517 ( 5.248 0.000 6.518) 8.368 20.926 ( -1.660 0.000 2.477) 2.981 21.059 ( -4.566 0.000 -2.471) 5.192 21.215 ( 2.029 0.000 -8.359) 8.601 21.794 ( -1.297 0.000 1.845) 2.255 21.887 ( -1.302 0.000 -0.494) 1.392 22.194 ( -13.199 0.000 14.919) 19.920 22.568 ( -2.388 0.000 -5.086) 5.619 ======================= Grid point 79 (27/72) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 23.480 0.000 10.475) 25.711 1.290 ( 22.533 0.000 15.619) 27.417 2.183 ( 22.528 0.000 4.162) 22.909 2.262 ( 6.517 0.000 -12.185) 13.818 2.354 ( 17.614 0.000 2.195) 17.750 2.399 ( 3.868 0.000 11.582) 12.211 2.758 ( 1.209 0.000 2.651) 2.913 2.832 ( 0.890 0.000 0.781) 1.184 2.902 ( 1.233 0.000 -4.150) 4.329 2.957 ( -1.198 0.000 -1.983) 2.317 3.037 ( -0.038 0.000 1.091) 1.091 3.121 ( -3.616 0.000 -4.161) 5.513 3.259 ( -3.518 0.000 1.049) 3.671 3.303 ( -4.173 0.000 2.411) 4.820 3.322 ( -0.593 0.000 1.074) 1.227 3.433 ( -5.552 0.000 0.974) 5.637 3.529 ( 1.064 0.000 0.861) 1.369 3.673 ( -4.203 0.000 3.855) 5.703 3.870 ( -1.149 0.000 -5.968) 6.078 3.926 ( -5.486 0.000 -1.641) 5.726 3.982 ( -4.487 0.000 -4.304) 6.217 4.273 ( -0.183 0.000 -10.999) 11.000 4.512 ( -0.515 0.000 -3.860) 3.895 4.630 ( -4.114 0.000 2.031) 4.588 4.730 ( -2.927 0.000 1.212) 3.168 4.887 ( -1.690 0.000 -1.408) 2.200 4.938 ( 3.062 0.000 1.144) 3.269 5.135 ( 0.123 0.000 -1.360) 1.365 5.162 ( 2.700 0.000 -3.797) 4.659 5.357 ( 1.140 0.000 0.971) 1.497 5.454 ( -1.647 0.000 6.938) 7.130 5.638 ( 0.688 0.000 -2.062) 2.174 5.783 ( 2.348 0.000 0.936) 2.528 5.893 ( 3.016 0.000 -0.812) 3.123 6.043 ( 6.524 0.000 2.307) 6.920 6.128 ( 7.514 0.000 -1.110) 7.596 6.149 ( 0.343 0.000 2.230) 2.256 6.226 ( 1.825 0.000 -1.820) 2.577 6.371 ( -3.367 0.000 3.187) 4.636 6.578 ( -9.245 0.000 -1.540) 9.372 7.288 ( 1.384 0.000 1.377) 1.952 7.439 ( 0.478 0.000 -3.468) 3.501 7.655 ( -4.352 0.000 4.879) 6.538 7.776 ( -2.863 0.000 -0.952) 3.017 7.840 ( 1.068 0.000 2.441) 2.664 7.929 ( -1.195 0.000 1.767) 2.134 8.196 ( 1.453 0.000 4.847) 5.060 8.391 ( -3.446 0.000 0.087) 3.448 8.488 ( -9.918 0.000 -2.507) 10.230 8.576 ( -0.809 0.000 -2.494) 2.622 9.096 ( -1.698 0.000 -0.833) 1.891 9.150 ( -5.342 0.000 -0.080) 5.343 9.525 ( -1.193 0.000 -0.310) 1.232 9.554 ( 0.385 0.000 1.013) 1.083 9.671 ( -3.105 0.000 -0.562) 3.155 9.695 ( -0.814 0.000 -1.666) 1.854 10.102 ( 4.527 0.000 2.591) 5.216 10.177 ( 6.271 0.000 -0.548) 6.295 10.312 ( 8.130 0.000 -2.560) 8.523 10.486 ( 4.929 0.000 -6.521) 8.175 10.895 ( 11.931 0.000 1.357) 12.008 10.953 ( 8.361 0.000 0.082) 8.362 11.494 ( 7.520 0.000 -3.036) 8.109 11.647 ( 4.355 0.000 -5.686) 7.162 12.399 ( -0.384 0.000 7.698) 7.707 12.463 ( -3.693 0.000 15.555) 15.987 12.608 ( 2.422 0.000 1.926) 3.095 12.675 ( -4.215 0.000 1.456) 4.459 12.859 ( 5.798 0.000 0.973) 5.879 13.388 ( -11.244 0.000 -5.021) 12.314 13.715 ( 2.273 0.000 0.628) 2.358 13.977 ( 4.763 0.000 -6.713) 8.231 14.238 ( -1.479 0.000 4.096) 4.355 14.363 ( -2.287 0.000 -0.725) 2.400 14.529 ( -3.513 0.000 3.800) 5.175 14.734 ( -5.378 0.000 -1.372) 5.550 15.029 ( -6.206 0.000 4.127) 7.453 15.262 ( 1.343 0.000 -1.463) 1.986 15.414 ( -10.285 0.000 3.731) 10.941 16.001 ( -9.585 0.000 -11.617) 15.061 16.213 ( 4.314 0.000 0.401) 4.333 16.352 ( 5.550 0.000 -2.782) 6.209 16.699 ( -5.105 0.000 10.125) 11.339 17.135 ( 4.357 0.000 -2.758) 5.157 17.166 ( 6.455 0.000 -0.896) 6.517 17.370 ( 5.553 0.000 -8.292) 9.980 17.670 ( -1.196 0.000 4.492) 4.648 17.811 ( 2.116 0.000 3.742) 4.299 17.860 ( 0.840 0.000 6.381) 6.436 18.369 ( 1.128 0.000 -4.030) 4.185 18.614 ( 4.159 0.000 -0.579) 4.199 18.701 ( 6.756 0.000 0.505) 6.775 18.887 ( -1.692 0.000 -0.713) 1.836 18.997 ( -1.027 0.000 -2.887) 3.065 19.163 ( -3.714 0.000 3.730) 5.264 19.483 ( -0.113 0.000 -0.246) 0.271 19.512 ( -0.427 0.000 0.493) 0.653 19.808 ( -0.554 0.000 -18.669) 18.678 20.219 ( 4.136 0.000 3.403) 5.356 20.391 ( 5.311 0.000 -4.709) 7.099 20.636 ( 5.971 0.000 1.385) 6.130 20.884 ( -2.803 0.000 4.950) 5.688 20.965 ( -4.221 0.000 -2.348) 4.830 21.241 ( 0.133 0.000 -9.690) 9.691 21.728 ( -4.812 0.000 6.071) 7.747 21.865 ( -0.758 0.000 -0.122) 0.768 22.057 ( -2.907 0.000 9.035) 9.492 22.475 ( -6.368 0.000 -4.761) 7.951 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 18.706 0.000 7.636) 20.204 1.741 ( 23.151 0.000 7.078) 24.209 2.202 ( -6.704 0.000 0.921) 6.767 2.364 ( 4.432 0.000 -2.391) 5.036 2.498 ( 8.328 0.000 -4.479) 9.456 2.687 ( -7.171 0.000 -2.801) 7.699 2.779 ( -4.955 0.000 -2.231) 5.434 2.836 ( 8.719 0.000 7.183) 11.297 2.900 ( 0.538 0.000 -1.169) 1.287 2.949 ( -5.366 0.000 1.156) 5.489 3.006 ( -1.553 0.000 -3.963) 4.257 3.131 ( 0.059 0.000 -2.534) 2.535 3.196 ( -3.172 0.000 -2.295) 3.915 3.221 ( -0.331 0.000 2.078) 2.104 3.319 ( 0.531 0.000 -0.860) 1.011 3.388 ( 5.581 0.000 5.521) 7.850 3.507 ( -2.740 0.000 1.419) 3.086 3.651 ( 1.093 0.000 2.010) 2.288 3.820 ( -1.495 0.000 -1.766) 2.314 3.856 ( 0.097 0.000 0.769) 0.775 3.950 ( 1.266 0.000 -2.574) 2.869 4.295 ( 2.096 0.000 -2.178) 3.023 4.495 ( -3.469 0.000 -1.146) 3.654 4.585 ( 2.040 0.000 -5.239) 5.622 4.671 ( -3.568 0.000 3.162) 4.768 4.858 ( -1.327 0.000 -3.174) 3.440 5.028 ( 5.995 0.000 0.051) 5.995 5.155 ( 1.503 0.000 1.136) 1.884 5.194 ( 0.756 0.000 -0.668) 1.009 5.363 ( -0.900 0.000 2.254) 2.427 5.451 ( 1.629 0.000 2.623) 3.088 5.631 ( -1.077 0.000 -1.865) 2.154 5.781 ( -2.724 0.000 2.275) 3.549 5.921 ( -0.079 0.000 0.759) 0.764 6.126 ( -0.166 0.000 1.518) 1.528 6.154 ( 2.542 0.000 1.176) 2.801 6.242 ( -0.739 0.000 -0.306) 0.800 6.281 ( 6.975 0.000 -0.879) 7.030 6.359 ( 1.403 0.000 -0.211) 1.419 6.399 ( -6.742 0.000 -3.305) 7.509 7.327 ( 2.341 0.000 1.245) 2.652 7.433 ( -1.119 0.000 -1.154) 1.607 7.614 ( 0.097 0.000 4.081) 4.082 7.730 ( -2.264 0.000 -0.793) 2.399 7.856 ( 0.528 0.000 2.546) 2.600 7.900 ( -1.468 0.000 1.993) 2.476 8.218 ( -0.717 0.000 1.148) 1.353 8.282 ( -8.444 0.000 -0.701) 8.473 8.314 ( -4.300 0.000 0.915) 4.396 8.573 ( -0.962 0.000 -2.476) 2.657 9.046 ( -4.170 0.000 -0.401) 4.190 9.056 ( -2.994 0.000 -0.818) 3.104 9.512 ( -0.873 0.000 -0.044) 0.874 9.546 ( 0.228 0.000 0.544) 0.590 9.602 ( -3.717 0.000 -0.260) 3.726 9.701 ( 0.858 0.000 -2.482) 2.627 10.205 ( 5.469 0.000 2.432) 5.985 10.290 ( 4.999 0.000 0.023) 4.999 10.455 ( 6.525 0.000 -2.851) 7.121 10.564 ( 3.264 0.000 -4.763) 5.774 11.087 ( 7.419 0.000 1.635) 7.597 11.101 ( 6.913 0.000 1.740) 7.128 11.622 ( 5.568 0.000 -2.812) 6.237 11.723 ( 3.181 0.000 -5.328) 6.206 12.390 ( 0.160 0.000 11.799) 11.800 12.457 ( 1.842 0.000 5.467) 5.769 12.600 ( -2.919 0.000 -0.197) 2.926 12.701 ( 6.183 0.000 1.519) 6.367 12.973 ( 5.438 0.000 -1.205) 5.570 13.161 ( -11.682 0.000 -4.007) 12.350 13.787 ( 5.146 0.000 3.041) 5.977 14.020 ( 0.179 0.000 -1.318) 1.331 14.256 ( 2.539 0.000 0.050) 2.540 14.305 ( -3.439 0.000 -0.066) 3.440 14.456 ( -4.145 0.000 2.703) 4.948 14.639 ( -4.817 0.000 -0.857) 4.893 14.935 ( -2.874 0.000 3.549) 4.567 15.204 ( -8.350 0.000 -0.055) 8.351 15.299 ( -0.305 0.000 1.047) 1.090 15.773 ( -12.288 0.000 -11.419) 16.774 16.324 ( 5.668 0.000 1.246) 5.803 16.456 ( 4.015 0.000 -1.041) 4.148 16.639 ( 0.115 0.000 7.857) 7.858 17.124 ( -3.211 0.000 -5.337) 6.229 17.338 ( 8.310 0.000 -3.770) 9.125 17.472 ( 5.176 0.000 -5.774) 7.755 17.690 ( 3.350 0.000 6.506) 7.318 17.858 ( 2.967 0.000 2.559) 3.918 17.918 ( 4.357 0.000 7.924) 9.043 18.338 ( -4.366 0.000 -2.460) 5.011 18.681 ( 2.733 0.000 -1.518) 3.126 18.805 ( 2.925 0.000 0.277) 2.939 18.846 ( -1.554 0.000 0.605) 1.668 19.000 ( 1.529 0.000 -1.287) 1.999 19.064 ( -4.933 0.000 3.121) 5.837 19.477 ( -1.995 0.000 -1.775) 2.670 19.522 ( 1.502 0.000 0.702) 1.658 19.685 ( -9.147 0.000 -10.220) 13.715 20.325 ( 6.173 0.000 2.478) 6.652 20.513 ( 6.622 0.000 -3.885) 7.677 20.719 ( 2.267 0.000 1.128) 2.533 20.828 ( -2.462 0.000 -0.291) 2.480 20.912 ( -1.371 0.000 1.586) 2.096 21.210 ( -3.502 0.000 -7.682) 8.443 21.662 ( -1.364 0.000 6.704) 6.841 21.842 ( -1.901 0.000 -0.047) 1.902 22.030 ( -0.271 0.000 4.003) 4.012 22.347 ( -6.787 0.000 -4.010) 7.883 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 8.545 0.000 4.121) 9.487 2.045 ( -4.568 0.000 3.564) 5.793 2.160 ( 16.789 0.000 2.515) 16.976 2.454 ( 4.560 0.000 -0.889) 4.646 2.545 ( -4.738 0.000 -4.533) 6.557 2.628 ( 2.307 0.000 -1.613) 2.815 2.729 ( 1.500 0.000 -2.802) 3.178 2.792 ( -6.624 0.000 2.647) 7.133 2.820 ( -5.734 0.000 -2.380) 6.209 2.860 ( -3.150 0.000 4.570) 5.551 3.015 ( -7.698 0.000 -0.874) 7.747 3.040 ( -0.141 0.000 -0.524) 0.543 3.104 ( -2.816 0.000 -2.009) 3.459 3.208 ( -2.129 0.000 -3.268) 3.900 3.325 ( -0.192 0.000 -4.399) 4.403 3.408 ( -1.573 0.000 -4.273) 4.553 3.541 ( -1.507 0.000 4.745) 4.979 3.636 ( -2.663 0.000 1.143) 2.898 3.861 ( 6.081 0.000 -0.256) 6.087 3.967 ( 2.289 0.000 -3.422) 4.117 4.140 ( 21.965 0.000 4.955) 22.517 4.338 ( 1.936 0.000 0.708) 2.062 4.442 ( 0.192 0.000 -0.871) 0.892 4.598 ( -3.307 0.000 4.373) 5.483 4.618 ( -0.514 0.000 0.780) 0.935 4.834 ( -2.572 0.000 -2.185) 3.375 5.144 ( 4.477 0.000 2.421) 5.089 5.172 ( 0.185 0.000 2.665) 2.672 5.198 ( 0.458 0.000 1.257) 1.338 5.327 ( -2.844 0.000 -1.384) 3.163 5.500 ( 3.358 0.000 0.543) 3.401 5.626 ( 1.508 0.000 -2.131) 2.611 5.696 ( -5.098 0.000 1.409) 5.289 5.872 ( -5.528 0.000 0.437) 5.546 6.110 ( -0.273 0.000 -0.449) 0.525 6.167 ( -3.621 0.000 -0.319) 3.635 6.222 ( 2.373 0.000 -0.448) 2.415 6.295 ( -1.566 0.000 -4.161) 4.446 6.403 ( 4.134 0.000 0.559) 4.172 6.430 ( 2.590 0.000 -0.195) 2.598 7.364 ( 1.332 0.000 1.332) 1.884 7.407 ( -1.405 0.000 1.179) 1.834 7.635 ( 1.450 0.000 2.670) 3.039 7.686 ( -2.162 0.000 1.425) 2.589 7.870 ( 1.491 0.000 0.649) 1.626 7.893 ( 0.624 0.000 1.515) 1.639 8.120 ( -6.540 0.000 -1.294) 6.666 8.141 ( -5.564 0.000 -1.293) 5.712 8.340 ( 4.118 0.000 2.835) 5.000 8.525 ( -3.937 0.000 -1.247) 4.129 8.985 ( -1.847 0.000 0.078) 1.849 9.006 ( -2.304 0.000 -0.641) 2.391 9.485 ( -0.995 0.000 0.153) 1.007 9.534 ( -3.038 0.000 -0.197) 3.045 9.593 ( 3.526 0.000 -0.556) 3.570 9.704 ( -0.936 0.000 -2.947) 3.092 10.298 ( 4.053 0.000 1.774) 4.425 10.355 ( 1.671 0.000 0.718) 1.819 10.556 ( 4.002 0.000 -3.189) 5.117 10.608 ( 1.200 0.000 -3.878) 4.059 11.187 ( 3.461 0.000 2.429) 4.228 11.200 ( 3.121 0.000 2.764) 4.169 11.705 ( 3.256 0.000 -2.824) 4.310 11.760 ( 0.620 0.000 -4.320) 4.364 12.410 ( 1.771 0.000 8.048) 8.241 12.486 ( -0.500 0.000 3.065) 3.105 12.585 ( 2.995 0.000 0.257) 3.006 12.798 ( 0.307 0.000 -1.436) 1.468 12.993 ( -2.788 0.000 -0.853) 2.915 13.050 ( 1.974 0.000 -1.708) 2.610 13.898 ( 5.780 0.000 3.511) 6.763 14.011 ( -0.817 0.000 1.828) 2.003 14.246 ( -1.655 0.000 1.805) 2.449 14.310 ( 1.448 0.000 -1.191) 1.875 14.376 ( -2.811 0.000 2.257) 3.605 14.540 ( -5.640 0.000 -0.777) 5.693 14.923 ( 1.162 0.000 1.461) 1.867 15.055 ( -6.452 0.000 1.222) 6.566 15.318 ( 2.393 0.000 -2.175) 3.234 15.557 ( -9.912 0.000 -9.179) 13.509 16.411 ( 3.381 0.000 2.313) 4.097 16.478 ( -0.675 0.000 4.110) 4.165 16.723 ( 7.322 0.000 0.465) 7.337 17.024 ( -6.850 0.000 -4.697) 8.305 17.469 ( 5.553 0.000 -5.009) 7.478 17.552 ( 2.424 0.000 -5.221) 5.756 17.785 ( 5.988 0.000 6.761) 9.032 17.924 ( 2.670 0.000 1.995) 3.333 17.988 ( 3.231 0.000 6.687) 7.427 18.222 ( -7.025 0.000 -0.732) 7.064 18.713 ( 0.780 0.000 -0.634) 1.005 18.794 ( -2.817 0.000 1.967) 3.436 18.872 ( 4.396 0.000 0.718) 4.454 19.012 ( -0.387 0.000 -0.711) 0.810 19.050 ( 2.741 0.000 -0.185) 2.747 19.334 ( -11.797 0.000 -5.080) 12.844 19.555 ( 1.562 0.000 0.441) 1.623 19.586 ( -1.212 0.000 -0.780) 1.442 20.441 ( 5.998 0.000 -2.244) 6.404 20.606 ( 1.507 0.000 -4.569) 4.811 20.722 ( -0.280 0.000 2.309) 2.326 20.795 ( -1.728 0.000 -0.407) 1.775 20.926 ( 2.927 0.000 1.822) 3.448 21.117 ( -5.730 0.000 -3.650) 6.793 21.677 ( 2.422 0.000 4.322) 4.954 21.794 ( -2.939 0.000 0.947) 3.087 22.046 ( 2.051 0.000 1.163) 2.358 22.221 ( -6.313 0.000 -2.699) 6.866 ======================= Grid point 82 (30/72) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -0.761 0.000 2.933) 3.030 1.989 ( 0.761 0.000 2.933) 3.030 2.432 ( -9.169 0.000 -2.544) 9.516 2.432 ( 9.170 0.000 -2.544) 9.516 2.576 ( -5.942 0.000 -0.070) 5.943 2.576 ( 5.942 0.000 -0.070) 5.943 2.717 ( -1.935 0.000 2.773) 3.381 2.717 ( 1.935 0.000 2.773) 3.381 2.830 ( -0.968 0.000 1.840) 2.080 2.830 ( 0.968 0.000 1.840) 2.080 2.936 ( -4.200 0.000 -2.220) 4.750 2.936 ( 4.200 0.000 -2.220) 4.750 3.155 ( -3.543 0.000 -3.085) 4.698 3.155 ( 3.543 0.000 -3.085) 4.698 3.350 ( -3.341 0.000 -5.550) 6.478 3.350 ( 3.341 0.000 -5.550) 6.478 3.564 ( -3.622 0.000 2.576) 4.445 3.564 ( 3.622 0.000 2.576) 4.445 3.959 ( -3.105 0.000 -3.381) 4.591 3.959 ( 3.105 0.000 -3.381) 4.591 4.355 ( -1.996 0.000 0.446) 2.045 4.355 ( 1.996 0.000 0.446) 2.045 4.573 ( -2.893 0.000 1.761) 3.387 4.573 ( 2.893 0.000 1.761) 3.387 4.660 ( -15.033 0.000 6.396) 16.337 4.660 ( 15.033 0.000 6.396) 16.337 5.163 ( -0.769 0.000 3.905) 3.980 5.163 ( 0.769 0.000 3.905) 3.980 5.264 ( -3.880 0.000 -1.942) 4.339 5.264 ( 3.880 0.000 -1.942) 4.339 5.581 ( -4.973 0.000 -0.612) 5.011 5.581 ( 4.973 0.000 -0.612) 5.011 5.734 ( -7.409 0.000 -1.479) 7.555 5.734 ( 7.409 0.000 -1.479) 7.555 6.120 ( -1.328 0.000 -0.481) 1.413 6.120 ( 1.328 0.000 -0.481) 1.413 6.266 ( -1.865 0.000 -2.138) 2.837 6.266 ( 1.865 0.000 -2.138) 2.837 6.449 ( -0.663 0.000 0.352) 0.750 6.449 ( 0.663 0.000 0.352) 0.750 7.383 ( -1.025 0.000 1.601) 1.901 7.383 ( 1.025 0.000 1.601) 1.901 7.657 ( -0.983 0.000 2.636) 2.813 7.657 ( 0.983 0.000 2.636) 2.813 7.901 ( -0.704 0.000 -0.141) 0.718 7.901 ( 0.704 0.000 -0.141) 0.718 8.063 ( -1.282 0.000 -0.802) 1.513 8.063 ( 1.282 0.000 -0.802) 1.513 8.433 ( -5.262 0.000 0.791) 5.321 8.433 ( 5.262 0.000 0.791) 5.321 8.975 ( -0.680 0.000 -0.133) 0.693 8.975 ( 0.680 0.000 -0.133) 0.693 9.489 ( -1.412 0.000 0.123) 1.417 9.489 ( 1.412 0.000 0.123) 1.417 9.662 ( -3.259 0.000 -2.192) 3.927 9.662 ( 3.259 0.000 -2.192) 3.927 10.354 ( -1.662 0.000 1.235) 2.071 10.354 ( 1.662 0.000 1.235) 2.071 10.607 ( -1.332 0.000 -3.465) 3.712 10.607 ( 1.332 0.000 -3.465) 3.712 11.224 ( -0.432 0.000 2.928) 2.960 11.224 ( 0.432 0.000 2.928) 2.960 11.750 ( -1.481 0.000 -3.349) 3.662 11.750 ( 1.481 0.000 -3.349) 3.662 12.450 ( -2.286 0.000 4.640) 5.172 12.450 ( 2.286 0.000 4.640) 5.172 12.695 ( -7.300 0.000 -1.238) 7.404 12.695 ( 7.300 0.000 -1.238) 7.404 13.038 ( -3.134 0.000 -0.687) 3.208 13.038 ( 3.134 0.000 -0.687) 3.208 13.982 ( -2.707 0.000 2.941) 3.997 13.982 ( 2.707 0.000 2.941) 3.997 14.261 ( -3.186 0.000 2.110) 3.821 14.261 ( 3.186 0.000 2.110) 3.821 14.428 ( -5.565 0.000 -0.817) 5.625 14.428 ( 5.565 0.000 -0.817) 5.625 14.965 ( -3.181 0.000 1.385) 3.469 14.965 ( 3.181 0.000 1.385) 3.469 15.401 ( -6.327 0.000 -5.897) 8.649 15.401 ( 6.327 0.000 -5.897) 8.649 16.457 ( -1.566 0.000 3.822) 4.130 16.457 ( 1.566 0.000 3.822) 4.130 16.877 ( -8.230 0.000 -2.725) 8.670 16.877 ( 8.230 0.000 -2.725) 8.670 17.550 ( -2.556 0.000 -4.961) 5.581 17.550 ( 2.556 0.000 -4.961) 5.581 17.895 ( -4.769 0.000 4.971) 6.889 17.895 ( 4.769 0.000 4.971) 6.889 18.089 ( -6.659 0.000 1.887) 6.921 18.089 ( 6.659 0.000 1.887) 6.921 18.738 ( -2.269 0.000 1.984) 3.014 18.738 ( 2.269 0.000 1.984) 3.014 18.982 ( -4.402 0.000 -2.112) 4.883 18.982 ( 4.402 0.000 -2.112) 4.883 19.130 ( -7.384 0.000 -1.416) 7.518 19.130 ( 7.384 0.000 -1.416) 7.518 19.576 ( -0.612 0.000 0.410) 0.737 19.576 ( 0.612 0.000 0.410) 0.737 20.553 ( -5.362 0.000 -5.299) 7.539 20.553 ( 5.362 0.000 -5.299) 7.539 20.753 ( -2.481 0.000 2.469) 3.500 20.753 ( 2.481 0.000 2.469) 3.500 21.008 ( -5.288 0.000 -0.509) 5.312 21.008 ( 5.288 0.000 -0.509) 5.312 21.734 ( -3.230 0.000 2.266) 3.946 21.734 ( 3.230 0.000 2.266) 3.946 22.112 ( -4.775 0.000 -0.936) 4.866 22.112 ( 4.775 0.000 -0.936) 4.866 ======================= Grid point 88 (31/72) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 0.000 20.696 19.922) 28.726 0.847 ( 0.000 20.346 22.480) 30.320 1.441 ( 0.000 32.602 37.142) 49.421 2.078 ( 0.000 6.189 -16.050) 17.201 2.253 ( 0.000 -9.128 8.193) 12.265 2.311 ( 0.000 3.886 -12.356) 12.952 2.475 ( 0.000 -12.682 4.160) 13.347 2.728 ( 0.000 -2.863 -0.039) 2.863 2.913 ( 0.000 4.330 1.119) 4.472 2.998 ( 0.000 -4.040 5.976) 7.213 3.077 ( 0.000 -1.767 -5.895) 6.154 3.109 ( 0.000 -2.953 1.506) 3.314 3.331 ( 0.000 1.089 -0.276) 1.123 3.373 ( 0.000 -2.711 6.293) 6.852 3.428 ( 0.000 2.405 -0.532) 2.463 3.508 ( 0.000 1.178 3.606) 3.794 3.562 ( 0.000 1.339 -0.419) 1.403 3.836 ( 0.000 1.099 3.543) 3.709 3.882 ( 0.000 5.336 -9.131) 10.576 3.944 ( 0.000 -9.458 -2.386) 9.754 4.144 ( 0.000 0.799 -11.870) 11.897 4.237 ( 0.000 -7.604 -9.759) 12.372 4.484 ( 0.000 -7.032 -3.489) 7.850 4.650 ( 0.000 -2.217 7.848) 8.155 4.716 ( 0.000 -2.903 -4.334) 5.216 4.994 ( 0.000 2.879 -3.984) 4.915 5.086 ( 0.000 2.616 -4.221) 4.966 5.138 ( 0.000 5.795 2.197) 6.197 5.224 ( 0.000 7.642 -3.608) 8.450 5.480 ( 0.000 4.691 -1.086) 4.815 5.515 ( 0.000 1.004 0.786) 1.275 5.564 ( 0.000 0.108 -0.104) 0.150 5.608 ( 0.000 7.175 -5.520) 9.053 5.789 ( 0.000 5.805 2.346) 6.261 5.821 ( 0.000 -4.382 4.466) 6.257 5.974 ( 0.000 1.864 -0.849) 2.049 6.122 ( 0.000 -2.694 -1.664) 3.166 6.195 ( 0.000 0.655 -2.826) 2.901 6.465 ( 0.000 -4.559 8.227) 9.406 6.625 ( 0.000 -7.471 4.743) 8.849 7.317 ( 0.000 2.959 0.636) 3.027 7.419 ( 0.000 0.594 -1.575) 1.684 7.756 ( 0.000 -1.759 2.113) 2.749 7.826 ( 0.000 0.343 -1.427) 1.468 7.902 ( 0.000 -6.123 3.639) 7.123 7.970 ( 0.000 -0.693 -1.443) 1.601 8.160 ( 0.000 -1.267 5.482) 5.627 8.307 ( 0.000 0.405 0.557) 0.688 8.596 ( 0.000 -6.997 1.039) 7.073 8.879 ( 0.000 6.100 -4.991) 7.882 9.051 ( 0.000 -6.548 1.514) 6.721 9.154 ( 0.000 -2.002 -0.586) 2.086 9.543 ( 0.000 2.354 -1.261) 2.671 9.622 ( 0.000 -0.271 1.602) 1.625 9.651 ( 0.000 0.991 0.181) 1.008 9.760 ( 0.000 -0.790 -0.032) 0.791 9.971 ( 0.000 -1.125 -0.518) 1.238 10.103 ( 0.000 2.555 -1.579) 3.003 10.144 ( 0.000 -0.849 -1.714) 1.913 10.235 ( 0.000 -0.793 -3.047) 3.149 10.699 ( 0.000 11.277 -3.761) 11.888 10.788 ( 0.000 5.783 -1.573) 5.993 11.216 ( 0.000 -3.870 2.273) 4.488 11.455 ( 0.000 -7.155 -2.334) 7.526 12.335 ( 0.000 -6.086 8.475) 10.434 12.485 ( 0.000 -7.662 10.235) 12.785 12.630 ( 0.000 -0.275 -0.157) 0.317 12.699 ( 0.000 -0.596 -0.228) 0.638 13.048 ( 0.000 -9.085 16.641) 18.959 13.363 ( 0.000 -3.150 -0.312) 3.166 13.744 ( 0.000 3.825 -7.859) 8.740 13.908 ( 0.000 4.589 -8.844) 9.964 14.362 ( 0.000 -1.120 4.052) 4.204 14.625 ( 0.000 1.758 4.986) 5.287 14.757 ( 0.000 5.250 -2.906) 6.000 14.936 ( 0.000 4.335 0.333) 4.347 14.958 ( 0.000 -0.006 -0.923) 0.923 15.193 ( 0.000 0.221 -3.273) 3.280 15.781 ( 0.000 1.998 1.753) 2.658 15.956 ( 0.000 -0.794 -2.997) 3.101 16.243 ( 0.000 -3.282 -2.052) 3.871 16.391 ( 0.000 0.325 -3.326) 3.342 16.711 ( 0.000 -13.025 7.142) 14.854 16.807 ( 0.000 -5.736 2.421) 6.226 17.045 ( 0.000 6.295 1.485) 6.468 17.162 ( 0.000 1.364 -0.356) 1.409 17.621 ( 0.000 -6.053 3.338) 6.913 17.727 ( 0.000 -7.189 -1.787) 7.407 17.943 ( 0.000 2.652 6.354) 6.885 18.301 ( 0.000 1.013 -4.960) 5.063 18.462 ( 0.000 0.449 2.675) 2.712 18.632 ( 0.000 6.884 -1.341) 7.013 19.004 ( 0.000 -1.752 -2.323) 2.910 19.108 ( 0.000 0.078 1.538) 1.540 19.150 ( 0.000 2.790 -1.196) 3.035 19.165 ( 0.000 4.019 -5.172) 6.550 19.559 ( 0.000 3.044 0.274) 3.057 19.797 ( 0.000 20.040 -15.290) 25.207 20.132 ( 0.000 -1.030 0.410) 1.109 20.340 ( 0.000 2.260 -3.196) 3.914 20.580 ( 0.000 8.646 4.210) 9.617 20.950 ( 0.000 0.446 -0.282) 0.528 21.110 ( 0.000 0.930 -4.541) 4.635 21.201 ( 0.000 0.768 -6.814) 6.857 21.784 ( 0.000 -1.744 1.776) 2.490 21.843 ( 0.000 -5.136 3.590) 6.266 22.346 ( 0.000 -7.354 6.693) 9.944 22.483 ( 0.000 -3.364 -0.173) 3.369 ======================= Grid point 89 (32/72) ======================= q-point: ( 0.10 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 14.740 14.603 17.046) 26.853 1.039 ( 15.600 14.284 20.378) 29.371 1.747 ( 27.445 24.746 26.115) 45.250 2.145 ( 6.078 4.405 -14.697) 16.503 2.276 ( 2.932 -7.118 8.408) 11.400 2.337 ( 2.139 4.400 -10.573) 11.650 2.527 ( 4.804 -12.596 3.059) 13.824 2.755 ( 3.115 -2.814 -0.648) 4.248 2.905 ( -0.916 3.045 1.086) 3.360 3.013 ( 0.276 -4.091 1.897) 4.518 3.059 ( -1.294 1.119 0.604) 1.814 3.100 ( -0.337 -3.779 -2.632) 4.617 3.300 ( -2.795 -0.947 3.153) 4.319 3.341 ( -1.893 1.603 1.600) 2.952 3.405 ( -3.047 0.624 -0.343) 3.129 3.515 ( 0.307 0.196 2.133) 2.164 3.553 ( -0.973 3.027 1.721) 3.615 3.773 ( -4.824 0.887 0.599) 4.942 3.875 ( -0.741 0.197 -6.734) 6.778 3.947 ( -0.890 -4.839 -1.768) 5.228 4.085 ( -6.056 -0.923 -6.395) 8.856 4.256 ( 2.096 -3.181 -13.517) 14.044 4.491 ( -0.083 -5.127 -2.967) 5.924 4.622 ( -2.141 -2.889 6.409) 7.349 4.731 ( 1.647 -4.959 -3.720) 6.414 4.977 ( -8.497 5.860 -2.028) 10.519 4.999 ( -0.802 2.902 -3.389) 4.534 5.168 ( 3.208 5.260 -0.143) 6.163 5.218 ( -0.293 6.951 -2.145) 7.280 5.402 ( -3.512 5.722 0.230) 6.717 5.492 ( -0.458 0.472 4.563) 4.610 5.612 ( 4.068 0.563 1.224) 4.285 5.730 ( 4.250 2.183 -4.184) 6.351 5.819 ( 3.928 1.651 -0.183) 4.265 5.895 ( 5.898 -1.955 1.663) 6.432 6.014 ( 3.794 0.756 -1.547) 4.166 6.133 ( 0.537 -2.441 -1.256) 2.797 6.193 ( 0.381 0.716 -0.114) 0.819 6.424 ( -3.712 -2.933 7.046) 8.487 6.607 ( -2.771 -8.800 1.561) 9.357 7.299 ( -1.126 2.054 1.228) 2.645 7.437 ( 1.241 0.975 -2.220) 2.724 7.728 ( -3.046 -1.482 2.879) 4.446 7.816 ( -1.322 -0.373 -0.956) 1.673 7.857 ( -2.336 -0.821 2.833) 3.763 7.960 ( -0.663 0.947 -0.380) 1.217 8.156 ( 0.250 -1.980 5.209) 5.578 8.368 ( 4.454 -0.478 -0.521) 4.510 8.525 ( -6.265 -5.984 0.712) 8.693 8.777 ( -8.303 5.308 -3.889) 10.594 9.020 ( -2.931 -7.824 2.377) 8.687 9.159 ( -1.047 -4.940 -0.579) 5.083 9.494 ( -0.317 0.188 2.190) 2.221 9.637 ( -0.344 2.339 -1.623) 2.868 9.698 ( 1.240 0.542 -0.600) 1.481 9.754 ( -0.413 1.723 -1.427) 2.275 10.034 ( 5.401 -1.214 -0.634) 5.572 10.097 ( -0.092 2.029 0.290) 2.052 10.200 ( 5.456 1.581 -2.743) 6.308 10.322 ( 7.013 -3.705 -5.032) 9.393 10.777 ( 7.885 9.325 -1.452) 12.298 10.854 ( 6.301 5.314 -1.081) 8.314 11.316 ( 8.331 -3.178 -1.632) 9.065 11.502 ( 4.546 -6.380 -3.370) 8.527 12.338 ( 0.266 -5.715 8.906) 10.585 12.453 ( -2.516 -6.184 11.633) 13.413 12.633 ( 0.305 1.095 0.571) 1.271 12.715 ( 0.405 -2.026 0.364) 2.098 12.934 ( -5.697 5.704 11.531) 14.069 13.434 ( 3.072 -7.252 -0.517) 7.893 13.709 ( -3.184 1.721 -5.870) 6.896 13.892 ( -0.903 1.095 -8.766) 8.880 14.337 ( -3.143 0.143 4.643) 5.609 14.503 ( -9.730 5.574 3.416) 11.722 14.615 ( -2.555 4.806 2.081) 5.827 14.851 ( -5.732 0.950 -1.016) 5.899 15.100 ( 0.906 -1.666 1.389) 2.351 15.206 ( 2.225 0.309 -2.745) 3.547 15.673 ( -9.982 4.106 2.702) 11.127 15.994 ( 3.878 -0.783 -3.219) 5.100 16.210 ( -1.083 -2.868 -3.080) 4.346 16.336 ( -4.022 1.430 -3.435) 5.479 16.721 ( -1.299 -7.541 6.746) 10.202 16.886 ( 5.920 -7.647 0.981) 9.721 17.166 ( 3.533 1.718 -1.959) 4.390 17.212 ( 9.659 1.018 -2.461) 10.020 17.628 ( 0.973 -5.136 3.739) 6.427 17.767 ( 2.231 -4.841 -1.292) 5.485 17.928 ( -0.810 5.280 4.654) 7.085 18.329 ( 2.598 0.518 -5.642) 6.233 18.501 ( 3.455 -1.644 2.949) 4.831 18.659 ( 2.683 5.380 -1.221) 6.135 18.940 ( -4.591 1.594 0.061) 4.860 19.012 ( -2.525 0.930 -2.404) 3.608 19.146 ( 0.686 -2.693 1.965) 3.404 19.322 ( 4.362 -6.831 -3.205) 8.716 19.574 ( 1.375 4.878 0.686) 5.115 19.863 ( 4.298 11.189 -11.995) 16.957 20.157 ( 2.345 0.210 -2.131) 3.175 20.362 ( 2.216 2.386 -5.413) 6.317 20.599 ( 2.286 6.957 3.949) 8.320 20.933 ( -1.435 0.792 1.929) 2.532 21.073 ( -4.056 1.483 -4.152) 5.991 21.215 ( 1.327 -0.158 -8.337) 8.443 21.777 ( -1.563 -1.817 2.299) 3.321 21.823 ( -1.342 -5.279 4.366) 6.981 22.207 ( -7.846 1.388 8.875) 11.927 22.510 ( -1.036 -5.138 -3.214) 6.148 ======================= Grid point 90 (33/72) ======================= q-point: ( 0.20 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 22.262 5.649 10.799) 25.379 1.383 ( 19.465 10.063 14.197) 26.109 2.193 ( 9.514 -0.718 -1.226) 9.619 2.282 ( 5.998 2.672 -4.749) 8.103 2.338 ( 2.622 -3.020 4.582) 6.082 2.506 ( 22.174 10.261 4.680) 24.877 2.622 ( 4.914 -10.234 2.441) 11.612 2.816 ( -0.007 -1.969 0.386) 2.006 2.886 ( -0.730 -0.454 -3.266) 3.378 2.973 ( -0.999 0.890 -0.427) 1.404 3.059 ( -1.548 -1.559 -2.473) 3.308 3.107 ( 2.171 0.138 -1.416) 2.596 3.248 ( -2.232 -2.005 4.889) 5.736 3.297 ( -4.036 2.168 0.036) 4.582 3.335 ( -2.423 0.995 -2.164) 3.398 3.470 ( -4.441 3.107 0.622) 5.455 3.564 ( 1.856 3.163 2.527) 4.454 3.674 ( -5.755 -0.847 2.425) 6.302 3.847 ( -2.625 -2.188 -4.863) 5.943 3.908 ( -2.486 -2.659 -1.150) 3.818 3.957 ( -5.518 -0.875 -2.738) 6.222 4.307 ( 2.799 3.630 -11.163) 12.067 4.472 ( -0.903 -4.186 -1.733) 4.620 4.585 ( -1.877 -3.884 3.498) 5.554 4.783 ( 3.569 -5.804 -0.453) 6.828 4.812 ( -7.204 6.138 -1.898) 9.653 4.984 ( -1.489 3.124 -4.553) 5.718 5.182 ( 0.308 3.189 -2.122) 3.843 5.274 ( 3.985 8.603 0.471) 9.493 5.374 ( -0.277 3.476 2.086) 4.064 5.476 ( -1.000 1.996 5.382) 5.826 5.657 ( 0.660 1.849 -1.679) 2.583 5.787 ( 1.844 0.786 0.584) 2.088 5.893 ( 2.535 -0.442 -0.679) 2.662 6.019 ( 6.901 -2.448 1.575) 7.490 6.104 ( 4.072 -1.559 -0.997) 4.473 6.138 ( 1.851 -1.909 0.980) 2.834 6.211 ( 0.838 -1.492 0.778) 1.880 6.350 ( -3.141 -2.038 2.016) 4.252 6.508 ( -7.138 -6.801 -0.917) 9.902 7.294 ( 0.766 0.961 1.822) 2.198 7.458 ( 0.923 1.392 -2.630) 3.115 7.657 ( -3.408 0.228 3.931) 5.207 7.775 ( -2.057 -0.222 -0.191) 2.078 7.848 ( 0.068 0.830 1.532) 1.744 7.946 ( -1.076 1.983 0.847) 2.410 8.172 ( 1.041 -2.870 3.783) 4.861 8.389 ( -5.178 -1.643 0.540) 5.459 8.412 ( -3.736 -3.573 -1.384) 5.352 8.633 ( -4.991 3.813 -2.876) 6.908 8.964 ( -2.541 -10.266 1.432) 10.672 9.093 ( -5.069 -6.437 -0.963) 8.249 9.514 ( 1.628 0.559 1.706) 2.423 9.610 ( -2.036 3.167 -0.561) 3.807 9.699 ( -0.803 1.713 -1.549) 2.445 9.747 ( -0.487 5.017 -1.857) 5.372 10.113 ( 3.908 0.897 1.583) 4.311 10.172 ( 6.376 -0.181 0.059) 6.379 10.320 ( 6.840 0.238 -2.547) 7.302 10.446 ( 5.553 -3.832 -5.297) 8.577 10.967 ( 10.706 6.880 0.262) 12.728 10.997 ( 7.905 4.684 0.077) 9.189 11.476 ( 7.830 -2.003 -2.934) 8.599 11.606 ( 5.645 -4.199 -4.977) 8.618 12.346 ( 0.681 -4.173 10.565) 11.380 12.418 ( -0.638 -3.445 9.604) 10.223 12.648 ( 1.459 2.240 2.079) 3.387 12.680 ( -2.858 0.289 0.887) 3.006 12.930 ( 3.867 7.403 2.592) 8.745 13.393 ( -7.674 0.270 -3.609) 8.484 13.666 ( 0.080 -4.063 -0.467) 4.090 13.899 ( 1.294 -7.030 -5.643) 9.107 14.276 ( -1.502 2.579 3.820) 4.848 14.411 ( -2.691 3.529 -0.052) 4.438 14.553 ( -3.752 3.087 2.382) 5.412 14.739 ( -5.494 0.349 -1.698) 5.761 15.039 ( -5.118 1.160 4.304) 6.787 15.234 ( -0.127 -2.324 0.317) 2.349 15.477 ( -9.586 5.716 1.322) 11.239 15.959 ( -9.165 -4.221 -11.103) 15.004 16.225 ( 4.473 1.294 0.769) 4.720 16.352 ( 4.821 -0.047 -1.501) 5.050 16.667 ( -3.318 -2.665 8.134) 9.180 16.999 ( 5.100 -9.136 -1.623) 10.589 17.252 ( 6.212 3.473 -1.604) 7.296 17.375 ( 6.717 1.551 -5.399) 8.756 17.659 ( 1.974 -2.536 3.772) 4.955 17.772 ( -0.471 -0.774 2.310) 2.482 17.943 ( 2.316 6.327 3.768) 7.720 18.369 ( 0.668 -0.675 -4.673) 4.768 18.578 ( 4.333 -3.345 2.028) 5.837 18.716 ( 2.799 0.904 -1.354) 3.238 18.893 ( -1.043 -0.431 -0.108) 1.134 18.965 ( -2.203 -1.025 -0.862) 2.578 19.139 ( -1.619 -2.387 2.100) 3.568 19.343 ( -0.958 -9.892 -2.241) 10.188 19.592 ( 0.332 7.340 1.166) 7.439 19.911 ( -0.317 7.221 -10.645) 12.867 20.193 ( 2.331 -2.480 3.534) 4.906 20.426 ( 4.102 2.225 -6.368) 7.895 20.661 ( 3.695 2.429 2.037) 4.869 20.896 ( -2.612 1.752 3.372) 4.611 20.989 ( -3.669 1.999 -2.850) 5.058 21.226 ( -0.738 -1.752 -8.994) 9.193 21.712 ( -3.750 -1.371 6.405) 7.548 21.821 ( 0.452 -3.428 1.564) 3.795 22.108 ( -3.196 4.288 5.275) 7.512 22.441 ( -5.404 -3.389 -4.085) 7.575 ======================= Grid point 91 (34/72) ======================= q-point: ( 0.30 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 19.035 4.484 5.598) 20.341 1.763 ( 20.424 4.268 8.597) 22.567 2.208 ( -5.814 -0.146 1.068) 5.913 2.325 ( 4.265 -3.900 0.474) 5.799 2.468 ( 7.014 -1.756 -3.334) 7.962 2.640 ( -0.140 -7.631 -0.455) 7.646 2.732 ( -6.883 0.617 -4.491) 8.242 2.831 ( -2.170 -4.257 -1.207) 4.928 2.901 ( 7.518 2.548 2.619) 8.359 2.958 ( -5.072 1.241 -0.531) 5.248 3.009 ( -1.470 -0.135 -2.877) 3.234 3.146 ( -2.999 -0.584 -1.507) 3.407 3.222 ( -1.988 1.231 -0.464) 2.384 3.264 ( 0.193 2.410 -0.190) 2.425 3.313 ( 0.227 3.100 -2.634) 4.075 3.435 ( 3.988 3.631 5.400) 7.632 3.512 ( -2.953 1.365 3.069) 4.472 3.660 ( 2.942 0.478 1.125) 3.186 3.783 ( -1.722 -2.648 -1.652) 3.565 3.892 ( 2.635 -1.500 0.053) 3.032 3.911 ( 0.369 1.273 -0.907) 1.606 4.343 ( 1.143 4.570 -0.845) 4.786 4.489 ( 0.900 -2.843 -1.324) 3.263 4.555 ( 0.324 -1.395 -2.117) 2.556 4.703 ( -4.522 3.574 -1.287) 5.906 4.832 ( 0.315 -3.384 4.468) 5.613 4.986 ( 2.891 0.184 -6.673) 7.274 5.190 ( -0.194 0.959 -3.566) 3.697 5.314 ( -0.467 8.325 4.024) 9.258 5.377 ( 0.928 2.497 2.848) 3.900 5.479 ( 1.525 3.226 2.200) 4.192 5.651 ( -0.939 2.572 -2.171) 3.494 5.784 ( -1.993 0.746 1.765) 2.765 5.907 ( -1.002 -1.740 0.921) 2.209 6.110 ( 0.098 -1.630 0.696) 1.775 6.136 ( 3.517 -1.564 1.409) 4.099 6.203 ( -0.356 -3.484 -0.287) 3.514 6.254 ( 5.351 -3.402 -0.127) 6.342 6.335 ( 1.311 -2.400 -0.625) 2.806 6.373 ( -5.016 -2.718 -2.935) 6.416 7.325 ( 2.268 0.577 2.047) 3.109 7.467 ( -0.091 2.762 -1.131) 2.986 7.623 ( 0.003 0.756 3.395) 3.478 7.742 ( -1.683 1.031 -0.826) 2.139 7.840 ( -0.803 -1.495 2.828) 3.298 7.912 ( -2.213 1.511 1.306) 2.981 8.168 ( -2.504 -5.069 0.347) 5.664 8.267 ( -8.908 -3.116 -1.946) 9.636 8.323 ( -1.022 2.586 2.850) 3.981 8.586 ( -1.635 1.371 -2.382) 3.197 8.925 ( -1.606 -9.831 0.315) 9.966 8.999 ( -4.205 -6.348 -0.960) 7.674 9.548 ( 1.868 1.648 0.523) 2.546 9.572 ( -1.655 4.802 0.526) 5.106 9.665 ( -2.666 4.135 -0.972) 5.015 9.744 ( 0.255 4.362 -2.344) 4.958 10.202 ( 4.858 -0.373 2.174) 5.335 10.283 ( 4.742 -0.807 0.292) 4.819 10.448 ( 6.169 -0.865 -2.812) 6.835 10.535 ( 3.734 -3.014 -4.509) 6.585 11.133 ( 6.069 4.300 1.326) 7.555 11.146 ( 7.198 5.220 1.349) 8.993 11.605 ( 5.500 -1.813 -2.651) 6.369 11.698 ( 3.620 -2.645 -5.083) 6.778 12.367 ( 1.590 -1.792 10.509) 10.778 12.436 ( 2.299 -2.095 5.073) 5.950 12.614 ( -2.749 1.567 0.706) 3.242 12.721 ( 4.844 1.288 0.650) 5.055 13.018 ( 4.292 5.040 -0.524) 6.641 13.203 ( -10.029 4.383 -3.711) 11.556 13.710 ( 3.893 -7.302 2.869) 8.758 13.916 ( 0.134 -9.523 -1.142) 9.592 14.284 ( 1.548 2.055 0.627) 2.648 14.355 ( -2.966 4.164 -0.038) 5.112 14.485 ( -3.221 2.829 1.824) 4.659 14.644 ( -4.659 0.405 -1.180) 4.823 14.953 ( -2.905 1.977 3.915) 5.260 15.188 ( -5.075 -1.820 1.260) 5.537 15.335 ( -4.317 3.882 -0.469) 5.825 15.742 ( -11.880 -3.161 -10.666) 16.275 16.330 ( 5.438 0.588 1.466) 5.662 16.452 ( 4.074 -0.889 0.378) 4.187 16.634 ( 0.995 0.202 5.967) 6.053 17.049 ( -0.321 -6.874 -3.824) 7.873 17.388 ( 7.026 3.559 -3.394) 8.576 17.476 ( 3.973 1.174 -5.955) 7.255 17.701 ( 3.072 -0.217 5.655) 6.440 17.795 ( 2.688 -3.055 4.450) 6.030 18.006 ( 4.088 7.039 3.328) 8.794 18.337 ( -3.870 -0.376 -2.755) 4.766 18.653 ( 3.185 -4.071 1.073) 5.279 18.753 ( 1.070 -2.562 -0.328) 2.796 18.887 ( 0.650 -0.700 -0.575) 1.115 18.942 ( -0.482 -1.232 0.884) 1.591 19.087 ( -3.251 1.007 0.782) 3.493 19.304 ( -3.429 -11.584 -2.960) 12.438 19.603 ( 1.199 7.430 1.149) 7.613 19.838 ( -5.879 10.651 -6.802) 13.938 20.272 ( 5.160 -4.981 3.441) 7.955 20.503 ( 3.588 -1.789 -4.121) 5.750 20.725 ( 2.709 0.261 1.030) 2.910 20.842 ( -2.427 2.729 0.097) 3.653 20.944 ( -1.276 2.261 0.078) 2.597 21.178 ( -4.198 -3.394 -6.561) 8.497 21.672 ( -0.093 1.185 5.958) 6.075 21.824 ( -0.346 -1.625 0.737) 1.817 22.062 ( -1.729 2.985 2.579) 4.307 22.325 ( -6.373 -2.207 -3.675) 7.681 ======================= Grid point 92 (35/72) ======================= q-point: ( 0.40 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 7.420 4.627 3.211) 9.315 2.065 ( -2.063 2.009 3.371) 4.434 2.160 ( 14.479 0.014 2.734) 14.735 2.415 ( 4.460 -3.612 0.553) 5.765 2.540 ( 0.336 -1.389 -1.495) 2.068 2.611 ( -2.705 -0.260 -2.072) 3.417 2.682 ( 4.404 -3.626 -4.929) 7.539 2.771 ( -4.986 -2.384 0.370) 5.539 2.834 ( -5.198 2.100 -0.614) 5.639 2.896 ( -3.263 2.268 1.341) 4.194 3.008 ( -3.699 -0.712 -5.357) 6.549 3.051 ( -2.388 0.639 3.935) 4.648 3.140 ( -7.159 3.510 0.569) 7.993 3.196 ( -4.697 -2.174 -3.007) 5.986 3.318 ( 2.495 1.967 -5.000) 5.924 3.433 ( 0.759 0.649 0.046) 1.000 3.556 ( -1.624 2.155 0.449) 2.735 3.642 ( -3.394 0.183 1.716) 3.808 3.851 ( 5.199 -1.625 0.192) 5.450 3.925 ( 1.100 -4.084 -2.756) 5.048 4.153 ( 20.740 1.940 3.447) 21.114 4.376 ( 2.598 3.468 3.245) 5.414 4.466 ( -1.068 1.595 -0.484) 1.979 4.597 ( 0.712 -0.133 0.213) 0.755 4.628 ( -2.553 1.927 0.262) 3.209 4.807 ( -3.065 -2.623 3.618) 5.419 5.059 ( 3.463 -3.051 -1.178) 4.763 5.169 ( -2.003 -2.254 -1.442) 3.342 5.293 ( -0.726 4.233 1.695) 4.617 5.368 ( -2.726 5.448 2.304) 6.513 5.528 ( 3.815 1.886 -0.118) 4.257 5.646 ( 0.621 2.781 -2.263) 3.638 5.735 ( -2.209 4.096 0.989) 4.757 5.850 ( -4.831 -1.729 0.670) 5.174 6.109 ( 0.339 0.078 -0.256) 0.432 6.158 ( -1.670 -0.845 -0.269) 1.891 6.202 ( 1.548 -2.264 -0.642) 2.817 6.263 ( -1.756 -3.116 -3.669) 5.124 6.380 ( 3.567 -3.267 0.610) 4.875 6.395 ( 2.608 -3.099 -0.088) 4.052 7.370 ( 2.312 1.448 2.135) 3.464 7.450 ( -1.640 4.079 0.589) 4.435 7.646 ( 1.829 0.818 2.354) 3.092 7.704 ( -2.129 1.824 1.371) 3.121 7.832 ( 0.602 -3.666 1.517) 4.013 7.883 ( -0.641 -0.986 0.790) 1.417 8.086 ( -4.851 -3.922 -1.303) 6.373 8.106 ( -6.743 -3.154 -1.092) 7.524 8.363 ( 4.053 2.642 2.324) 5.367 8.537 ( -3.613 1.354 -1.293) 4.069 8.903 ( -0.589 -7.747 -0.156) 7.771 8.938 ( -2.337 -6.291 -0.778) 6.756 9.542 ( -0.690 5.071 0.925) 5.200 9.577 ( -0.853 4.443 -0.858) 4.605 9.637 ( 1.566 4.041 0.015) 4.334 9.738 ( -1.212 3.277 -2.649) 4.385 10.287 ( 3.831 -1.240 1.910) 4.457 10.344 ( 1.494 -1.366 0.943) 2.234 10.545 ( 3.834 -1.200 -3.237) 5.160 10.586 ( 1.591 -2.215 -4.043) 4.876 11.222 ( 3.233 3.810 2.184) 5.454 11.239 ( 2.715 4.214 2.271) 5.503 11.686 ( 3.097 -2.069 -2.695) 4.598 11.738 ( 0.608 -2.360 -4.068) 4.742 12.407 ( 2.446 -0.184 7.265) 7.668 12.479 ( 0.794 -0.703 3.391) 3.553 12.592 ( 1.741 0.936 0.190) 1.986 12.780 ( -1.316 -1.935 -1.620) 2.846 13.044 ( 0.030 5.589 -0.226) 5.593 13.112 ( 0.448 6.065 -1.753) 6.330 13.795 ( 4.455 -9.330 3.167) 10.813 13.904 ( -1.313 -9.918 1.177) 10.074 14.293 ( -0.421 3.431 1.176) 3.651 14.338 ( 0.865 2.637 0.785) 2.884 14.430 ( -2.027 4.561 0.754) 5.047 14.552 ( -5.030 1.061 -0.749) 5.194 14.939 ( 1.092 1.710 1.900) 2.779 15.070 ( -5.921 1.363 1.352) 6.224 15.310 ( 1.191 -0.626 -2.146) 2.533 15.532 ( -9.739 -2.630 -8.463) 13.167 16.417 ( 3.488 0.514 2.477) 4.309 16.483 ( -0.159 0.297 4.244) 4.258 16.720 ( 7.016 -0.078 -0.001) 7.017 16.991 ( -5.265 -3.620 -4.013) 7.545 17.488 ( 3.498 2.682 -4.372) 6.208 17.536 ( 2.002 -1.303 -4.386) 4.994 17.784 ( 4.986 -1.744 5.373) 7.534 17.848 ( 2.295 -3.758 3.750) 5.784 18.086 ( 3.882 7.341 2.385) 8.640 18.245 ( -5.033 2.297 -0.999) 5.622 18.697 ( 1.736 -3.438 1.123) 4.012 18.767 ( 0.005 -2.266 2.303) 3.231 18.905 ( 0.964 2.368 -0.725) 2.657 18.944 ( 1.470 -5.339 -0.215) 5.542 19.044 ( -0.970 0.170 -0.548) 1.127 19.198 ( -7.402 -9.139 -3.418) 12.247 19.638 ( 2.240 7.796 0.935) 8.166 19.740 ( -3.840 11.611 -1.760) 12.355 20.371 ( 5.232 -6.692 -0.497) 8.509 20.535 ( -0.985 -6.406 -3.352) 7.297 20.762 ( 1.533 2.287 0.866) 2.886 20.815 ( -0.730 2.685 -1.037) 2.970 20.939 ( 1.093 1.096 0.901) 1.792 21.082 ( -5.307 -3.472 -2.984) 7.009 21.702 ( 2.749 2.541 3.947) 5.440 21.804 ( -1.737 0.938 1.241) 2.331 22.051 ( 0.889 0.552 0.660) 1.237 22.205 ( -6.082 -1.652 -2.614) 6.823 ======================= Grid point 93 (36/72) ======================= q-point: (-0.50 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( -0.613 3.551 2.621) 4.456 2.024 ( 0.613 3.551 2.621) 4.456 2.416 ( -8.385 -1.777 -1.893) 8.778 2.416 ( 8.385 -1.777 -1.893) 8.778 2.568 ( -4.839 -0.515 0.133) 4.869 2.568 ( 4.839 -0.515 0.133) 4.869 2.708 ( -3.659 -0.821 1.120) 3.913 2.708 ( 3.659 -0.821 1.120) 3.913 2.840 ( -3.695 0.259 -1.544) 4.013 2.840 ( 3.695 0.259 -1.544) 4.013 2.963 ( -5.284 2.240 0.798) 5.794 2.963 ( 5.284 2.240 0.798) 5.794 3.115 ( -3.442 -1.686 -1.594) 4.152 3.115 ( 3.442 -1.686 -1.594) 4.152 3.397 ( -4.660 3.089 -4.816) 7.379 3.397 ( 4.660 3.089 -4.816) 7.379 3.568 ( -3.598 0.750 2.175) 4.270 3.568 ( 3.598 0.750 2.175) 4.270 3.922 ( -1.930 -3.869 -2.474) 4.982 3.922 ( 1.930 -3.869 -2.474) 4.982 4.385 ( -3.791 2.393 0.438) 4.505 4.385 ( 3.791 2.393 0.438) 4.505 4.557 ( -5.365 -1.194 1.098) 5.605 4.557 ( 5.365 -1.194 1.098) 5.605 4.669 ( -9.149 1.394 6.259) 11.172 4.669 ( 9.149 1.394 6.259) 11.172 5.117 ( -2.974 -4.152 0.100) 5.108 5.117 ( 2.974 -4.152 0.100) 5.108 5.308 ( -2.408 4.346 1.198) 5.111 5.308 ( 2.408 4.346 1.198) 5.111 5.616 ( -4.325 1.753 -2.067) 5.104 5.616 ( 4.325 1.753 -2.067) 5.104 5.753 ( -4.150 3.262 -0.104) 5.280 5.753 ( 4.150 3.262 -0.104) 5.280 6.126 ( -1.333 0.598 -0.274) 1.486 6.126 ( 1.333 0.598 -0.274) 1.486 6.234 ( -1.566 -3.251 -2.336) 4.299 6.234 ( 1.566 -3.251 -2.336) 4.299 6.419 ( -0.361 -3.318 0.610) 3.393 6.419 ( 0.361 -3.318 0.610) 3.393 7.412 ( -2.130 3.190 1.656) 4.178 7.412 ( 2.130 3.190 1.656) 4.178 7.673 ( -1.120 1.555 2.491) 3.143 7.673 ( 1.120 1.555 2.491) 3.143 7.865 ( -1.933 -3.657 0.196) 4.141 7.865 ( 1.933 -3.657 0.196) 4.141 8.032 ( -0.608 -3.147 -0.947) 3.342 8.032 ( 0.608 -3.147 -0.947) 3.342 8.453 ( -4.907 2.187 0.469) 5.393 8.453 ( 4.908 2.187 0.469) 5.393 8.906 ( -0.930 -6.509 -0.482) 6.593 8.906 ( 0.930 -6.509 -0.482) 6.593 9.547 ( -1.188 5.544 0.421) 5.685 9.547 ( 1.188 5.544 0.421) 5.685 9.695 ( -3.159 3.069 -1.802) 4.759 9.695 ( 3.159 3.069 -1.802) 4.759 10.341 ( -1.664 -1.522 1.493) 2.704 10.341 ( 1.664 -1.522 1.493) 2.704 10.592 ( -1.064 -1.577 -3.668) 4.132 10.592 ( 1.064 -1.577 -3.668) 4.132 11.258 ( -0.523 3.715 2.537) 4.529 11.258 ( 0.523 3.715 2.537) 4.529 11.729 ( -1.427 -2.323 -3.151) 4.167 11.729 ( 1.427 -2.323 -3.151) 4.167 12.455 ( -2.371 0.497 4.474) 5.088 12.455 ( 2.371 0.497 4.474) 5.088 12.683 ( -6.434 -1.137 -1.195) 6.642 12.683 ( 6.434 -1.137 -1.195) 6.642 13.094 ( -2.854 5.700 -0.464) 6.392 13.094 ( 2.854 5.700 -0.464) 6.392 13.865 ( -2.806 -10.350 2.161) 10.939 13.865 ( 2.806 -10.350 2.161) 10.939 14.314 ( -2.455 3.865 2.149) 5.058 14.314 ( 2.455 3.865 2.149) 5.058 14.458 ( -4.296 2.830 -0.754) 5.199 14.458 ( 4.296 2.830 -0.754) 5.199 14.982 ( -3.320 1.800 1.513) 4.069 14.982 ( 3.320 1.800 1.513) 4.069 15.379 ( -6.023 -2.180 -5.362) 8.353 15.379 ( 6.023 -2.180 -5.362) 8.353 16.465 ( -1.656 0.801 3.825) 4.245 16.465 ( 1.656 0.801 3.825) 4.245 16.865 ( -7.516 -1.443 -2.658) 8.102 16.865 ( 7.516 -1.443 -2.658) 8.102 17.537 ( -1.596 -0.406 -3.638) 3.993 17.537 ( 1.596 -0.406 -3.638) 3.993 17.857 ( -1.866 -3.423 3.321) 5.121 17.857 ( 1.866 -3.423 3.321) 5.121 18.158 ( -4.012 6.139 1.043) 7.408 18.158 ( 4.012 6.139 1.043) 7.408 18.736 ( -2.447 -1.604 2.729) 4.001 18.736 ( 2.447 -1.604 2.729) 4.001 18.953 ( -2.208 -2.786 -2.121) 4.140 18.953 ( 2.208 -2.786 -2.121) 4.140 19.065 ( -4.564 -3.781 -1.207) 6.048 19.065 ( 4.564 -3.781 -1.207) 6.048 19.683 ( -2.480 9.495 0.325) 9.819 19.683 ( 2.480 9.495 0.325) 9.819 20.471 ( -4.892 -7.515 -3.060) 9.475 20.471 ( 4.892 -7.515 -3.060) 9.475 20.794 ( -1.597 3.127 0.458) 3.541 20.794 ( 1.597 3.127 0.458) 3.541 20.990 ( -4.000 -1.708 -0.532) 4.382 20.990 ( 4.000 -1.708 -0.532) 4.382 21.759 ( -2.862 2.451 2.356) 4.444 21.759 ( 2.862 2.451 2.356) 4.444 22.102 ( -4.327 -1.035 -1.123) 4.588 22.102 ( 4.327 -1.035 -1.123) 4.588 ======================= Grid point 99 (37/72) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 0.000 22.884 15.531) 27.657 1.265 ( 0.000 23.575 14.906) 27.892 1.970 ( 0.000 -10.294 14.148) 17.497 2.099 ( 0.000 -15.420 1.853) 15.531 2.149 ( 0.000 29.347 11.672) 31.583 2.298 ( 0.000 7.705 -6.648) 10.177 2.487 ( 0.000 12.370 -8.395) 14.950 2.650 ( 0.000 -5.890 -4.051) 7.149 2.833 ( 0.000 -11.083 -2.757) 11.421 3.000 ( 0.000 1.784 -1.311) 2.214 3.046 ( 0.000 0.427 1.917) 1.964 3.092 ( 0.000 -0.454 3.970) 3.996 3.251 ( 0.000 -6.433 6.557) 9.186 3.402 ( 0.000 3.369 -4.883) 5.932 3.442 ( 0.000 -1.385 3.059) 3.358 3.520 ( 0.000 -1.354 1.510) 2.028 3.616 ( 0.000 -0.653 1.714) 1.834 3.748 ( 0.000 -10.940 -0.020) 10.940 3.763 ( 0.000 -2.750 0.247) 2.761 4.014 ( 0.000 7.221 -1.004) 7.291 4.070 ( 0.000 -9.831 -2.326) 10.102 4.192 ( 0.000 1.553 -9.638) 9.762 4.354 ( 0.000 -1.648 -9.512) 9.654 4.588 ( 0.000 -6.265 -3.133) 7.005 4.700 ( 0.000 3.948 -0.273) 3.957 4.976 ( 0.000 -6.127 -4.844) 7.811 5.187 ( 0.000 7.422 -5.546) 9.265 5.276 ( 0.000 7.874 2.130) 8.157 5.331 ( 0.000 3.985 -2.513) 4.711 5.487 ( 0.000 -0.135 1.554) 1.560 5.532 ( 0.000 0.095 2.445) 2.447 5.606 ( 0.000 4.230 -0.771) 4.300 5.700 ( 0.000 -5.530 2.737) 6.171 5.742 ( 0.000 1.347 -2.667) 2.988 5.894 ( 0.000 4.143 -6.938) 8.081 5.987 ( 0.000 -0.254 -0.275) 0.375 6.090 ( 0.000 0.267 2.108) 2.125 6.201 ( 0.000 -0.695 2.022) 2.138 6.380 ( 0.000 -2.980 6.811) 7.435 6.498 ( 0.000 -6.199 4.833) 7.860 7.379 ( 0.000 2.970 0.318) 2.987 7.425 ( 0.000 0.217 0.305) 0.374 7.731 ( 0.000 0.046 1.903) 1.904 7.826 ( 0.000 -1.824 0.161) 1.831 7.856 ( 0.000 1.805 -0.078) 1.806 7.959 ( 0.000 -1.625 -2.802) 3.239 8.141 ( 0.000 -0.113 3.721) 3.723 8.269 ( 0.000 -5.124 -0.714) 5.174 8.557 ( 0.000 3.970 3.998) 5.634 8.891 ( 0.000 -10.081 1.826) 10.246 8.972 ( 0.000 4.009 -6.003) 7.218 9.102 ( 0.000 -3.316 -2.994) 4.468 9.575 ( 0.000 1.473 0.152) 1.481 9.612 ( 0.000 -0.630 2.557) 2.634 9.668 ( 0.000 1.102 -0.427) 1.182 9.735 ( 0.000 -1.892 0.126) 1.897 9.986 ( 0.000 2.298 -0.364) 2.327 10.102 ( 0.000 -2.453 -2.166) 3.272 10.159 ( 0.000 2.070 -1.444) 2.524 10.217 ( 0.000 -1.095 -1.941) 2.228 10.875 ( 0.000 7.268 -2.527) 7.695 10.928 ( 0.000 8.797 -2.717) 9.207 11.125 ( 0.000 -5.087 1.993) 5.463 11.307 ( 0.000 -8.642 -2.360) 8.958 12.260 ( 0.000 -0.893 10.164) 10.203 12.372 ( 0.000 -5.082 8.881) 10.233 12.633 ( 0.000 0.509 0.505) 0.717 12.675 ( 0.000 -1.611 1.290) 2.064 13.048 ( 0.000 5.002 6.788) 8.432 13.282 ( 0.000 -5.495 0.867) 5.563 13.816 ( 0.000 4.093 -8.722) 9.634 13.944 ( 0.000 -0.665 -11.059) 11.079 14.371 ( 0.000 2.631 9.327) 9.691 14.562 ( 0.000 -5.554 10.692) 12.048 14.854 ( 0.000 4.274 -3.169) 5.321 14.950 ( 0.000 -0.988 -1.122) 1.496 15.037 ( 0.000 5.642 -1.215) 5.772 15.181 ( 0.000 -1.688 -3.044) 3.481 15.831 ( 0.000 3.223 -0.519) 3.264 15.936 ( 0.000 -1.620 -4.461) 4.746 16.221 ( 0.000 1.024 -0.233) 1.050 16.370 ( 0.000 -3.320 1.682) 3.722 16.539 ( 0.000 -4.189 1.473) 4.440 16.686 ( 0.000 -7.274 -0.289) 7.280 17.154 ( 0.000 4.909 0.368) 4.922 17.192 ( 0.000 1.772 -0.066) 1.773 17.549 ( 0.000 -2.329 1.301) 2.668 17.603 ( 0.000 -5.397 -1.111) 5.511 18.016 ( 0.000 5.063 5.329) 7.350 18.245 ( 0.000 -5.875 -0.532) 5.899 18.535 ( 0.000 6.212 -0.109) 6.213 18.708 ( 0.000 0.119 -4.007) 4.009 19.000 ( 0.000 1.618 0.960) 1.881 19.088 ( 0.000 -1.924 2.271) 2.977 19.173 ( 0.000 1.318 -0.360) 1.366 19.202 ( 0.000 0.244 -1.812) 1.828 19.653 ( 0.000 7.035 2.380) 7.426 19.926 ( 0.000 -3.694 3.886) 5.361 20.176 ( 0.000 6.159 -9.514) 11.334 20.368 ( 0.000 -1.121 -6.947) 7.037 20.741 ( 0.000 8.390 3.159) 8.964 20.944 ( 0.000 -1.703 0.835) 1.897 21.145 ( 0.000 2.638 -8.573) 8.970 21.210 ( 0.000 -0.104 -7.893) 7.894 21.744 ( 0.000 -2.281 4.042) 4.641 21.757 ( 0.000 -3.182 4.880) 5.826 22.285 ( 0.000 0.047 3.313) 3.313 22.403 ( 0.000 -4.786 -0.057) 4.786 ======================= Grid point 100 (38/72) ======================= q-point: ( 0.10 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 6.506 22.333 13.507) 26.898 1.361 ( 10.532 19.520 15.073) 26.817 1.999 ( 2.798 -12.608 12.156) 17.736 2.141 ( 3.620 -14.152 3.595) 15.043 2.279 ( 9.830 14.575 2.111) 17.706 2.347 ( 5.848 11.782 -6.959) 14.881 2.539 ( 5.034 11.268 -3.350) 12.788 2.685 ( 4.336 -3.226 -3.945) 6.691 2.854 ( 1.924 -9.415 -2.796) 10.008 2.974 ( -1.730 1.324 0.267) 2.194 3.038 ( -1.964 -0.251 2.251) 2.998 3.106 ( 1.773 0.942 2.291) 3.047 3.237 ( -0.876 -4.160 5.369) 6.849 3.380 ( -2.660 0.170 -2.906) 3.944 3.428 ( -0.815 3.543 0.763) 3.715 3.508 ( -0.875 -1.352 1.549) 2.235 3.612 ( -0.542 -1.443 2.419) 2.869 3.716 ( -1.859 -3.951 -1.261) 4.545 3.794 ( 1.373 -5.773 0.893) 6.000 3.957 ( -5.228 2.993 -2.623) 6.571 4.037 ( -3.684 -3.239 -2.461) 5.488 4.205 ( 2.017 -5.701 -4.131) 7.323 4.389 ( 3.084 0.352 -10.177) 10.640 4.590 ( -0.249 -4.509 -0.595) 4.555 4.685 ( -0.892 3.958 -2.595) 4.816 4.971 ( -0.952 -5.572 -4.345) 7.130 5.119 ( -5.556 7.652 -4.248) 10.367 5.254 ( -3.018 2.266 -3.577) 5.200 5.361 ( 3.393 8.832 1.886) 9.648 5.492 ( 0.495 2.531 1.974) 3.248 5.530 ( -1.086 3.735 2.902) 4.853 5.624 ( 3.388 1.600 0.903) 3.854 5.726 ( 4.289 -4.021 2.909) 6.559 5.802 ( 3.188 -2.448 -2.375) 4.668 5.920 ( 2.338 2.879 -6.318) 7.326 6.008 ( 1.622 -1.256 -1.576) 2.587 6.102 ( 1.041 0.346 2.613) 2.833 6.208 ( 0.213 0.362 2.322) 2.360 6.355 ( -2.484 -3.688 4.949) 6.653 6.449 ( -4.370 -7.173 3.381) 9.054 7.349 ( -1.851 3.096 1.448) 3.887 7.444 ( 0.999 -0.675 -0.321) 1.248 7.712 ( -1.813 0.674 1.576) 2.496 7.797 ( -1.959 -1.203 -0.046) 2.299 7.873 ( 0.838 1.908 0.253) 2.100 7.970 ( 1.131 -0.901 -2.265) 2.687 8.127 ( -0.992 -0.136 3.592) 3.728 8.290 ( 1.039 -7.066 -0.919) 7.201 8.523 ( -2.939 5.454 3.388) 7.062 8.842 ( -6.897 -4.725 -0.016) 8.360 8.880 ( -5.521 -0.526 -1.922) 5.870 9.052 ( -4.803 -5.936 -2.042) 7.905 9.519 ( -0.715 2.257 2.540) 3.473 9.623 ( -0.091 -2.431 1.619) 2.922 9.738 ( 3.715 2.604 -2.390) 5.128 9.777 ( 2.392 0.716 -1.849) 3.107 10.040 ( 5.027 1.775 -1.077) 5.439 10.133 ( 0.794 0.871 -1.384) 1.818 10.192 ( 5.569 -1.384 -1.525) 5.937 10.262 ( 4.106 -2.679 -2.009) 5.298 10.947 ( 7.058 7.866 -1.900) 10.738 10.977 ( 5.260 7.497 -0.898) 9.202 11.238 ( 9.766 -4.431 -1.332) 10.807 11.366 ( 5.818 -7.946 -2.664) 10.202 12.266 ( 0.716 -1.144 10.216) 10.305 12.359 ( -0.990 -4.465 8.799) 9.916 12.647 ( 1.155 0.539 0.433) 1.346 12.679 ( 0.347 -1.559 1.059) 1.917 13.063 ( 1.559 7.687 5.874) 9.799 13.321 ( 3.555 -5.747 0.981) 6.828 13.749 ( -6.297 2.732 -7.045) 9.836 13.877 ( -6.573 -2.585 -9.704) 12.002 14.359 ( -1.385 2.600 7.722) 8.265 14.499 ( -4.935 -3.077 7.972) 9.867 14.748 ( -6.452 6.412 -3.115) 9.615 14.862 ( -6.577 -0.262 -2.031) 6.889 15.102 ( 1.579 1.861 2.039) 3.180 15.194 ( 0.612 -1.572 -0.709) 1.830 15.759 ( -6.933 4.997 -0.765) 8.580 15.946 ( -0.626 -4.243 -6.200) 7.539 16.208 ( 0.865 2.504 0.847) 2.781 16.342 ( -2.464 -1.180 0.197) 2.739 16.590 ( 3.614 -4.470 2.397) 6.228 16.730 ( 3.916 -8.443 -0.737) 9.336 17.203 ( 3.843 2.740 0.084) 4.721 17.257 ( 6.956 1.721 -0.256) 7.170 17.566 ( 2.226 -1.163 1.193) 2.780 17.671 ( 5.369 -5.007 -2.091) 7.633 18.033 ( 1.569 6.005 4.237) 7.515 18.271 ( 2.519 -6.052 -1.365) 6.696 18.538 ( 0.052 5.051 0.500) 5.076 18.708 ( -0.183 -0.907 -3.179) 3.311 18.951 ( -4.073 1.486 1.334) 4.536 19.052 ( -3.070 -0.212 0.269) 3.089 19.108 ( -3.019 0.852 1.355) 3.417 19.231 ( -0.233 -3.824 -1.574) 4.142 19.695 ( 3.568 7.711 2.503) 8.857 19.942 ( 1.741 -2.222 2.761) 3.948 20.187 ( 0.347 4.356 -6.313) 7.678 20.378 ( 1.200 -2.108 -7.267) 7.661 20.740 ( -0.017 7.981 3.138) 8.576 20.937 ( -0.574 -1.213 1.257) 1.839 21.115 ( -3.414 2.882 -7.044) 8.341 21.203 ( -0.598 -1.264 -8.086) 8.206 21.731 ( -2.044 -2.437 5.544) 6.391 21.747 ( 0.233 -2.595 3.286) 4.193 22.246 ( -2.880 2.865 2.947) 5.019 22.408 ( -0.621 -5.534 -1.483) 5.763 ======================= Grid point 101 (39/72) ======================= q-point: ( 0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 13.714 14.038 11.105) 22.549 1.623 ( 15.573 14.857 11.102) 24.218 2.067 ( 4.040 -12.017 8.330) 15.170 2.204 ( 2.606 -12.397 3.323) 13.097 2.390 ( 3.037 2.858 -8.465) 9.437 2.476 ( 4.715 3.989 -4.211) 7.475 2.689 ( 7.947 -0.486 -4.290) 9.044 2.789 ( 3.830 2.401 0.210) 4.525 2.890 ( 1.431 0.904 -0.941) 1.937 2.963 ( 0.875 -2.235 -0.071) 2.402 3.004 ( 0.122 -0.354 1.853) 1.890 3.130 ( 0.349 -0.430 0.559) 0.786 3.259 ( 2.179 2.941 4.506) 5.805 3.302 ( -3.169 1.346 -1.526) 3.766 3.411 ( -0.987 5.273 -2.758) 6.032 3.502 ( -0.192 0.226 1.103) 1.142 3.592 ( -1.057 -1.183 3.269) 3.634 3.674 ( -2.909 1.524 0.271) 3.295 3.797 ( -1.848 -3.869 -0.658) 4.337 3.841 ( -5.033 -2.284 -3.698) 6.650 3.972 ( -1.772 2.140 0.472) 2.819 4.270 ( 4.378 -11.094 -0.322) 11.931 4.438 ( 1.398 3.557 -5.362) 6.585 4.569 ( -1.114 0.528 1.375) 1.846 4.693 ( 1.308 0.273 -3.036) 3.317 4.931 ( -2.292 1.298 -6.877) 7.365 5.025 ( -4.326 3.488 -2.783) 6.215 5.192 ( -2.510 -1.971 -2.380) 3.981 5.427 ( 2.501 7.512 2.669) 8.355 5.480 ( -2.087 5.414 3.570) 6.813 5.533 ( 1.428 4.375 3.305) 5.665 5.695 ( 3.624 2.504 -1.085) 4.536 5.813 ( 2.729 -0.844 0.916) 3.000 5.858 ( 2.225 -1.244 -1.244) 2.837 5.976 ( 3.864 -1.795 -1.745) 4.604 6.047 ( 3.277 -4.802 -1.347) 5.967 6.116 ( 0.133 0.480 2.322) 2.375 6.195 ( -1.279 0.763 2.602) 2.998 6.296 ( -3.032 -4.148 0.873) 5.212 6.366 ( -3.857 -7.317 -0.045) 8.271 7.333 ( 0.395 3.206 2.396) 4.022 7.461 ( 1.052 -1.642 0.219) 1.962 7.674 ( -1.848 2.050 0.848) 2.887 7.765 ( -1.353 -1.070 -0.371) 1.765 7.873 ( -1.064 2.132 1.175) 2.657 7.990 ( 0.342 0.943 -1.477) 1.786 8.104 ( -1.774 -2.327 2.735) 4.005 8.276 ( -2.693 -6.921 -0.838) 7.474 8.461 ( -3.672 5.497 2.164) 6.956 8.690 ( -6.499 0.852 -0.958) 6.624 8.794 ( -3.734 -6.128 0.633) 7.204 8.950 ( -5.299 -7.996 -1.605) 9.726 9.544 ( 2.449 2.419 2.423) 4.210 9.632 ( 0.936 -0.859 1.368) 1.867 9.754 ( -0.588 3.916 -2.336) 4.597 9.820 ( 1.173 2.194 -2.937) 3.849 10.134 ( 3.701 1.560 -0.160) 4.020 10.178 ( 4.453 0.689 -0.109) 4.508 10.306 ( 5.996 -1.601 -1.800) 6.462 10.364 ( 5.852 -4.542 -3.213) 8.075 11.108 ( 7.659 6.887 0.360) 10.307 11.115 ( 9.305 7.587 -0.654) 12.024 11.424 ( 8.620 -3.264 -2.964) 9.682 11.505 ( 7.759 -6.280 -4.126) 10.801 12.292 ( 2.062 -1.257 9.945) 10.234 12.352 ( 0.611 -3.458 7.727) 8.487 12.671 ( 0.710 0.541 0.768) 1.178 12.684 ( 0.710 0.052 0.110) 0.720 13.105 ( 2.636 10.543 3.323) 11.364 13.382 ( 1.192 -2.210 0.068) 2.511 13.607 ( -7.471 -1.542 -3.448) 8.371 13.751 ( -4.522 -8.231 -5.200) 10.735 14.329 ( -0.968 3.313 4.389) 5.583 14.434 ( -1.961 -0.925 2.543) 3.341 14.638 ( -5.337 4.965 -0.970) 7.354 14.739 ( -5.779 -0.561 -2.129) 6.184 15.075 ( -3.527 2.634 4.321) 6.168 15.186 ( -1.559 -2.804 2.190) 3.885 15.599 ( -9.078 7.072 -2.042) 11.687 15.858 ( -8.527 -6.371 -9.059) 13.977 16.258 ( 3.821 2.221 1.511) 4.670 16.342 ( 2.871 -1.299 1.421) 3.457 16.636 ( 1.543 0.197 3.252) 3.605 16.826 ( 5.547 -8.892 -1.062) 10.534 17.299 ( 6.142 2.471 -0.422) 6.634 17.402 ( 7.102 -0.444 -0.988) 7.185 17.623 ( 3.245 0.668 -0.217) 3.320 17.755 ( 2.727 -2.219 -1.560) 3.846 18.074 ( 2.997 7.444 2.884) 8.527 18.322 ( 2.062 -4.706 -2.622) 5.768 18.533 ( -0.331 0.011 1.915) 1.944 18.689 ( -1.833 -4.513 -1.953) 5.248 18.891 ( -1.594 2.367 2.002) 3.486 19.002 ( -1.835 2.971 -0.910) 3.609 19.078 ( -0.241 -3.526 1.634) 3.894 19.195 ( -2.939 -6.020 -1.453) 6.855 19.748 ( 1.506 8.814 2.401) 9.259 19.991 ( 2.689 -0.753 -0.536) 2.844 20.178 ( -0.798 3.109 -1.047) 3.376 20.408 ( 1.460 -4.449 -5.749) 7.415 20.744 ( 0.553 6.490 2.511) 6.981 20.923 ( -1.020 -0.241 1.152) 1.558 21.035 ( -4.098 3.125 -4.308) 6.717 21.173 ( -2.912 -3.803 -7.044) 8.518 21.697 ( -0.938 0.091 5.383) 5.465 21.762 ( 1.226 -2.851 2.297) 3.861 22.191 ( -3.056 4.481 1.531) 5.636 22.363 ( -3.900 -4.708 -2.672) 6.672 ======================= Grid point 102 (40/72) ======================= q-point: ( 0.30 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 17.010 5.558 6.465) 19.027 1.916 ( 14.089 9.701 7.492) 18.674 2.137 ( 2.131 -8.033 3.703) 9.098 2.245 ( 2.692 -5.058 2.162) 6.124 2.447 ( 3.703 -0.847 0.030) 3.798 2.523 ( 0.762 -3.281 -4.730) 5.807 2.747 ( -1.217 -0.406 -3.732) 3.946 2.774 ( -3.280 -0.040 -3.967) 5.148 2.941 ( -0.241 -0.204 -3.473) 3.487 2.962 ( 2.119 0.973 -0.988) 2.533 3.011 ( -1.799 0.076 -0.121) 1.804 3.128 ( -1.402 -0.820 0.610) 1.735 3.194 ( -2.969 -2.019 0.058) 3.591 3.268 ( -5.841 -1.724 -2.204) 6.476 3.440 ( -2.828 5.818 -3.518) 7.364 3.474 ( -0.804 4.356 3.805) 5.839 3.605 ( 2.515 4.297 0.054) 4.979 3.652 ( 2.027 -0.616 3.028) 3.695 3.737 ( -0.193 -1.958 0.044) 1.968 3.820 ( 0.587 -3.232 -1.620) 3.663 3.998 ( 5.668 5.978 2.202) 8.527 4.350 ( 3.319 -8.910 3.803) 10.241 4.453 ( 1.335 3.869 1.213) 4.269 4.576 ( 1.465 1.816 -2.606) 3.498 4.703 ( -0.399 0.336 0.664) 0.845 4.886 ( -3.759 7.386 -1.056) 8.355 4.982 ( 1.000 -2.459 -7.213) 7.686 5.147 ( -2.773 -5.164 -2.805) 6.498 5.415 ( -2.788 4.866 4.811) 7.389 5.468 ( 1.136 3.989 2.427) 4.806 5.555 ( -0.187 4.272 1.041) 4.401 5.726 ( -1.224 2.476 -2.475) 3.708 5.831 ( 0.340 5.194 0.342) 5.217 5.867 ( -0.029 -0.278 1.535) 1.560 6.051 ( 2.989 -4.551 -0.046) 5.444 6.116 ( 1.875 -1.689 -0.066) 2.524 6.141 ( 2.811 -3.326 -0.420) 4.375 6.187 ( 1.676 -0.948 1.563) 2.479 6.258 ( -0.952 -5.737 -0.666) 5.854 6.310 ( -1.476 -3.955 -1.719) 4.558 7.363 ( 2.662 3.498 2.825) 5.225 7.496 ( 2.721 -0.710 0.799) 2.923 7.645 ( -1.183 2.265 0.713) 2.653 7.747 ( -0.482 -1.184 -0.746) 1.480 7.831 ( -3.239 1.643 2.478) 4.397 7.960 ( -3.622 3.007 -0.214) 4.712 8.051 ( -3.519 -6.234 0.633) 7.187 8.183 ( -7.158 -5.509 -1.626) 9.178 8.404 ( -0.726 5.914 2.739) 6.557 8.615 ( -2.207 0.619 -0.900) 2.462 8.749 ( -1.003 -7.367 0.078) 7.435 8.863 ( -3.671 -7.507 -1.575) 8.504 9.594 ( 2.529 3.044 1.372) 4.188 9.650 ( 1.014 2.181 1.273) 2.721 9.740 ( -1.002 4.663 -1.432) 4.980 9.821 ( -0.645 2.726 -2.434) 3.711 10.198 ( 3.295 0.377 1.438) 3.615 10.260 ( 3.459 -1.676 0.318) 3.857 10.423 ( 5.881 -1.527 -2.482) 6.563 10.466 ( 4.652 -3.856 -3.767) 7.121 11.240 ( 5.730 6.626 1.173) 8.838 11.268 ( 6.096 6.916 0.484) 9.232 11.557 ( 5.325 -3.020 -2.670) 6.679 11.626 ( 4.391 -4.961 -4.519) 8.020 12.344 ( 3.249 -0.441 8.467) 9.080 12.391 ( 3.328 -2.455 5.460) 6.849 12.652 ( -1.773 2.325 0.269) 2.937 12.726 ( 2.377 -0.882 -0.339) 2.558 13.155 ( 2.244 9.218 0.490) 9.500 13.312 ( -6.175 6.801 -3.138) 9.707 13.554 ( 1.542 -8.684 2.634) 9.205 13.712 ( -0.655 -11.638 -1.050) 11.704 14.330 ( 0.740 2.829 1.611) 3.339 14.402 ( -1.575 0.459 0.515) 1.719 14.553 ( -3.265 4.049 -0.037) 5.201 14.645 ( -4.227 -0.573 -1.584) 4.551 15.005 ( -2.914 3.409 4.357) 6.252 15.140 ( -3.014 -3.236 2.935) 5.308 15.432 ( -7.946 6.144 -2.965) 10.473 15.662 ( -10.929 -5.339 -8.639) 14.919 16.345 ( 4.870 1.056 2.133) 5.421 16.417 ( 4.126 -2.569 3.044) 5.735 16.672 ( 2.436 3.946 1.882) 5.005 16.906 ( 2.113 -7.873 -2.046) 8.404 17.426 ( 6.661 1.375 -1.599) 6.987 17.514 ( 4.631 0.217 -1.599) 4.904 17.670 ( 1.232 0.475 -0.894) 1.595 17.788 ( 1.569 -0.013 0.659) 1.702 18.149 ( 4.502 7.803 2.010) 9.230 18.333 ( -0.697 0.556 -2.222) 2.394 18.535 ( 0.676 -7.117 2.986) 7.748 18.660 ( -0.586 -8.019 -1.284) 8.142 18.880 ( 0.138 3.002 1.917) 3.564 18.980 ( -0.743 2.325 -0.400) 2.474 19.081 ( -0.137 -2.006 -0.003) 2.011 19.133 ( -3.379 -5.898 -1.545) 6.971 19.768 ( 1.236 9.693 1.980) 9.970 20.007 ( -1.350 5.240 -4.048) 6.758 20.179 ( 1.146 -2.580 3.212) 4.276 20.421 ( -0.348 -6.947 -3.390) 7.738 20.764 ( 1.591 4.238 1.159) 4.673 20.895 ( -1.691 1.374 -0.878) 2.349 20.978 ( -1.880 1.622 -1.472) 2.887 21.094 ( -4.864 -4.947 -4.400) 8.215 21.706 ( 1.887 2.353 4.283) 5.238 21.790 ( 1.655 -1.921 1.755) 3.084 22.127 ( -3.520 3.788 0.415) 5.188 22.270 ( -5.511 -3.570 -2.761) 7.123 ======================= Grid point 103 (41/72) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 7.180 3.377 1.543) 8.083 2.111 ( 1.239 2.175 3.541) 4.337 2.170 ( 10.049 1.946 3.207) 10.726 2.334 ( 5.710 -4.899 2.264) 7.857 2.515 ( 3.687 -0.714 1.791) 4.161 2.576 ( 4.355 -3.497 -2.962) 6.322 2.660 ( -4.242 1.310 -5.567) 7.120 2.735 ( -3.019 -1.631 -2.675) 4.351 2.879 ( -4.160 2.643 -2.876) 5.707 2.925 ( -3.904 1.484 0.637) 4.224 3.005 ( -3.252 -0.557 -5.555) 6.461 3.059 ( -3.974 -0.642 3.726) 5.485 3.113 ( -4.361 -1.002 -1.012) 4.588 3.217 ( 0.610 -0.547 2.125) 2.277 3.382 ( -2.240 4.451 -1.714) 5.270 3.453 ( 0.457 2.596 -0.304) 2.653 3.577 ( -2.162 -0.509 -1.292) 2.569 3.676 ( -1.583 4.046 0.077) 4.345 3.791 ( 2.898 -5.667 -0.149) 6.366 3.833 ( 0.266 -4.420 -0.822) 4.503 4.213 ( 13.963 4.215 3.213) 14.935 4.413 ( 4.190 -2.756 5.784) 7.656 4.477 ( 0.011 1.910 2.713) 3.318 4.598 ( -0.404 -1.255 -1.615) 2.084 4.693 ( 0.442 6.060 -0.527) 6.099 4.814 ( -3.304 4.779 2.781) 6.441 5.004 ( 0.279 -4.144 -3.099) 5.182 5.085 ( -3.410 -6.265 -3.730) 8.050 5.382 ( -0.213 5.821 2.914) 6.513 5.475 ( -2.305 5.283 1.555) 5.970 5.538 ( 1.180 -0.573 -0.118) 1.317 5.674 ( -3.473 -2.491 -1.945) 4.695 5.844 ( 1.035 6.692 0.527) 6.792 5.872 ( 0.032 6.089 0.335) 6.098 6.093 ( 1.995 -3.691 -0.582) 4.236 6.144 ( 0.538 -0.287 -1.365) 1.495 6.156 ( 0.489 -0.815 -0.364) 1.018 6.204 ( -1.678 -2.453 -1.720) 3.434 6.286 ( 3.483 -6.238 0.772) 7.186 6.320 ( 1.502 -5.079 0.499) 5.320 7.426 ( 3.741 4.462 2.701) 6.419 7.540 ( 0.178 4.457 0.248) 4.467 7.642 ( 1.901 -1.409 1.868) 3.014 7.744 ( -0.451 0.063 0.071) 0.460 7.762 ( -2.776 -0.839 2.720) 3.976 7.875 ( -4.490 0.625 0.377) 4.549 7.984 ( -3.140 -6.292 -0.715) 7.068 8.035 ( -7.000 -4.530 -1.096) 8.409 8.439 ( 3.538 5.360 1.617) 6.623 8.575 ( -2.425 2.332 -0.931) 3.491 8.747 ( 0.696 -7.883 -0.357) 7.922 8.808 ( -2.252 -7.003 -1.387) 7.486 9.633 ( 1.549 4.470 0.880) 4.812 9.681 ( 1.808 4.605 0.184) 4.950 9.713 ( -1.122 4.450 -0.033) 4.589 9.799 ( -1.802 2.397 -1.857) 3.527 10.258 ( 2.871 -1.292 1.855) 3.655 10.303 ( 1.067 -2.764 1.196) 3.195 10.516 ( 3.574 -1.670 -3.233) 5.100 10.535 ( 2.449 -2.846 -3.989) 5.478 11.322 ( 2.916 6.380 1.614) 7.198 11.344 ( 2.013 6.347 1.414) 6.807 11.631 ( 2.624 -3.588 -2.591) 5.145 11.672 ( 0.706 -4.594 -3.522) 5.832 12.411 ( 3.534 0.699 5.874) 6.891 12.459 ( 2.944 -1.392 3.951) 5.120 12.623 ( -0.536 2.364 -0.049) 2.425 12.733 ( -2.293 -2.975 -1.268) 3.964 13.185 ( 1.813 9.075 0.166) 9.256 13.255 ( -0.292 8.964 -1.734) 9.135 13.600 ( 2.655 -10.841 2.628) 11.467 13.693 ( -1.681 -12.080 0.407) 12.203 14.348 ( 1.070 2.609 1.376) 3.138 14.384 ( -0.135 1.561 1.035) 1.878 14.510 ( -1.485 3.684 -0.402) 3.992 14.568 ( -3.788 0.430 -0.863) 3.909 14.984 ( 0.798 2.998 2.691) 4.107 15.082 ( -2.924 -0.712 2.067) 3.651 15.317 ( -3.244 1.989 -2.882) 4.774 15.466 ( -9.097 -4.304 -6.721) 12.102 16.430 ( 3.807 0.994 2.991) 4.943 16.479 ( 1.940 -0.871 4.421) 4.906 16.735 ( 4.184 2.003 -0.983) 4.742 16.900 ( -2.569 -5.723 -2.653) 6.811 17.524 ( 3.229 0.985 -2.101) 3.976 17.577 ( 1.262 5.560 -3.937) 6.929 17.698 ( 3.173 -5.062 2.391) 6.435 17.812 ( 0.088 -2.494 0.152) 2.500 18.230 ( 3.683 7.726 1.390) 8.671 18.313 ( -1.146 5.606 -0.873) 5.788 18.565 ( 2.630 -9.420 3.039) 10.242 18.660 ( -0.349 -9.513 0.426) 9.529 18.897 ( 1.768 2.192 0.914) 2.961 18.971 ( -0.081 2.149 -0.805) 2.296 19.045 ( -3.569 -0.619 -1.114) 3.790 19.077 ( -2.487 -3.411 -1.232) 4.397 19.809 ( 3.043 10.144 1.375) 10.680 19.954 ( -3.682 10.873 -1.944) 11.643 20.221 ( 3.308 -8.745 1.254) 9.434 20.386 ( -3.358 -9.389 -2.322) 10.238 20.802 ( 2.238 2.520 0.338) 3.387 20.868 ( -1.127 1.912 -1.606) 2.739 20.953 ( -0.739 0.292 -0.472) 0.924 21.007 ( -3.858 -3.846 -1.988) 5.799 21.758 ( 3.190 3.174 3.290) 5.574 21.819 ( 0.984 0.327 1.990) 2.244 22.069 ( -1.888 1.547 -0.551) 2.502 22.163 ( -5.456 -2.756 -2.318) 6.537 ======================= Grid point 104 (42/72) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( -0.953 4.083 2.104) 4.691 2.101 ( 0.953 4.083 2.104) 4.691 2.374 ( -5.955 -2.336 -0.126) 6.398 2.374 ( 5.955 -2.336 -0.126) 6.398 2.568 ( -3.951 0.705 -0.393) 4.033 2.568 ( 3.951 0.705 -0.393) 4.033 2.675 ( -5.071 -2.813 -2.132) 6.178 2.675 ( 5.071 -2.813 -2.132) 6.178 2.856 ( -2.878 2.132 -2.076) 4.139 2.856 ( 2.878 2.132 -2.076) 4.139 2.962 ( -3.322 -2.159 -0.863) 4.055 2.962 ( 3.322 -2.159 -0.863) 4.055 3.156 ( -5.400 4.940 2.756) 7.821 3.156 ( 5.400 4.940 2.756) 7.821 3.417 ( -4.128 -1.093 -1.074) 4.403 3.417 ( 4.128 -1.093 -1.074) 4.403 3.608 ( -4.485 3.685 -0.494) 5.826 3.608 ( 4.485 3.685 -0.494) 5.826 3.827 ( -1.007 -5.980 -1.714) 6.302 3.827 ( 1.007 -5.980 -1.714) 6.302 4.411 ( -6.033 0.386 2.316) 6.474 4.411 ( 6.033 0.386 2.316) 6.474 4.534 ( -5.828 -1.335 3.173) 6.768 4.534 ( 5.828 -1.335 3.173) 6.768 4.742 ( -4.024 6.471 1.180) 7.711 4.742 ( 4.024 6.471 1.180) 7.711 5.023 ( -2.512 -5.845 -1.935) 6.650 5.023 ( 2.512 -5.845 -1.935) 6.650 5.411 ( -2.968 6.277 1.732) 7.156 5.411 ( 2.968 6.277 1.732) 7.156 5.600 ( -4.064 -2.921 -1.577) 5.247 5.600 ( 4.064 -2.921 -1.577) 5.247 5.864 ( -0.869 7.161 -0.036) 7.214 5.864 ( 0.869 7.161 -0.036) 7.214 6.131 ( -1.745 -1.727 -0.842) 2.596 6.131 ( 1.745 -1.727 -0.842) 2.596 6.173 ( -1.214 -0.930 -1.713) 2.296 6.173 ( 1.214 -0.930 -1.713) 2.296 6.330 ( -0.838 -5.904 1.222) 6.087 6.330 ( 0.838 -5.904 1.222) 6.087 7.498 ( -3.481 5.760 1.646) 6.928 7.498 ( 3.481 5.760 1.646) 6.928 7.696 ( -2.634 -0.539 2.146) 3.440 7.696 ( 2.634 -0.539 2.146) 3.440 7.792 ( -4.006 -2.406 0.639) 4.716 7.792 ( 4.006 -2.406 0.639) 4.716 7.955 ( -0.938 -4.785 -1.008) 4.979 7.955 ( 0.938 -4.785 -1.008) 4.979 8.514 ( -3.857 4.249 0.077) 5.739 8.514 ( 3.857 4.249 0.077) 5.739 8.771 ( -1.654 -7.346 -0.956) 7.591 8.771 ( 1.654 -7.346 -0.956) 7.591 9.663 ( -1.817 6.225 0.543) 6.508 9.663 ( 1.817 6.225 0.543) 6.508 9.751 ( -3.060 2.235 -0.861) 3.886 9.751 ( 3.060 2.235 -0.861) 3.886 10.300 ( -1.316 -2.451 1.735) 3.279 10.300 ( 1.316 -2.451 1.735) 3.279 10.555 ( -0.497 -2.099 -3.817) 4.384 10.555 ( 0.497 -2.099 -3.817) 4.384 11.355 ( -0.633 6.181 1.751) 6.455 11.355 ( 0.633 6.181 1.751) 6.455 11.666 ( -1.137 -4.241 -2.802) 5.209 11.666 ( 1.137 -4.241 -2.802) 5.209 12.468 ( -1.959 0.779 4.155) 4.659 12.468 ( 1.959 0.779 4.155) 4.659 12.660 ( -4.062 -1.169 -0.865) 4.314 12.660 ( 4.062 -1.169 -0.865) 4.314 13.235 ( -2.398 9.212 -0.142) 9.520 13.235 ( 2.398 9.212 -0.142) 9.520 13.650 ( -2.547 -12.171 1.030) 12.478 13.650 ( 2.547 -12.171 1.030) 12.478 14.374 ( -1.384 2.457 1.849) 3.372 14.374 ( 1.384 2.457 1.849) 3.372 14.509 ( -1.880 2.188 -0.711) 2.971 14.509 ( 1.880 2.188 -0.711) 2.971 15.024 ( -2.979 2.396 1.656) 4.166 15.024 ( 2.979 2.396 1.656) 4.166 15.330 ( -4.509 -2.657 -4.289) 6.767 15.330 ( 4.509 -2.657 -4.289) 6.767 16.483 ( -1.478 0.995 4.042) 4.417 16.483 ( 1.478 0.995 4.042) 4.417 16.824 ( -4.799 -2.503 -2.470) 5.950 16.824 ( 4.799 -2.503 -2.470) 5.950 17.566 ( -1.549 3.763 -2.326) 4.687 17.566 ( 1.549 3.763 -2.326) 4.687 17.776 ( -3.658 -5.303 0.445) 6.458 17.776 ( 3.658 -5.303 0.445) 6.458 18.285 ( -2.040 7.316 0.704) 7.628 18.285 ( 2.040 7.316 0.704) 7.628 18.626 ( -3.039 -9.173 2.194) 9.909 18.626 ( 3.039 -9.173 2.194) 9.909 18.946 ( -3.020 2.091 -0.980) 3.802 18.946 ( 3.020 2.091 -0.980) 3.802 19.025 ( -2.348 -1.375 -0.855) 2.852 19.025 ( 2.348 -1.375 -0.855) 2.852 19.878 ( -4.011 11.077 0.315) 11.785 19.878 ( 4.011 11.077 0.315) 11.785 20.302 ( -4.846 -10.325 -1.257) 11.474 20.302 ( 4.846 -10.325 -1.257) 11.474 20.843 ( -1.798 1.926 -0.378) 2.661 20.843 ( 1.798 1.926 -0.378) 2.661 20.957 ( -1.326 -1.596 -0.992) 2.300 20.957 ( 1.326 -1.596 -0.992) 2.300 21.812 ( -1.887 2.755 2.673) 4.277 21.812 ( 1.887 2.755 2.673) 4.277 22.077 ( -2.879 -1.419 -1.632) 3.601 22.077 ( 2.879 -1.419 -1.632) 3.601 ======================= Grid point 110 (43/72) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 0.000 -10.822 12.324) 16.402 1.608 ( 0.000 10.822 12.324) 16.402 1.736 ( 0.000 -13.324 10.832) 17.172 1.736 ( 0.000 13.324 10.832) 17.172 2.490 ( 0.000 -10.368 -8.246) 13.248 2.490 ( 0.000 10.368 -8.246) 13.248 2.596 ( 0.000 -13.234 -7.485) 15.204 2.596 ( 0.000 13.234 -7.485) 15.204 2.854 ( 0.000 -18.643 4.000) 19.067 2.854 ( 0.000 18.643 4.000) 19.067 3.095 ( 0.000 -1.010 7.353) 7.422 3.095 ( 0.000 1.010 7.353) 7.422 3.239 ( 0.000 -11.272 4.812) 12.256 3.239 ( 0.000 11.272 4.812) 12.256 3.469 ( 0.000 -3.067 -1.133) 3.270 3.469 ( 0.000 3.067 -1.133) 3.270 3.607 ( 0.000 -4.954 -3.790) 6.237 3.607 ( 0.000 4.954 -3.790) 6.237 3.880 ( 0.000 -9.852 1.647) 9.988 3.880 ( 0.000 9.852 1.647) 9.988 4.133 ( 0.000 -5.532 0.396) 5.546 4.133 ( 0.000 5.532 0.396) 5.546 4.455 ( 0.000 -7.890 -11.892) 14.271 4.455 ( 0.000 7.890 -11.892) 14.271 4.823 ( 0.000 -8.643 -2.232) 8.926 4.823 ( 0.000 8.643 -2.232) 8.926 5.297 ( 0.000 -3.642 -6.276) 7.256 5.297 ( 0.000 3.642 -6.276) 7.256 5.453 ( 0.000 -5.357 1.618) 5.596 5.453 ( 0.000 5.357 1.618) 5.596 5.566 ( 0.000 -5.051 5.019) 7.120 5.566 ( 0.000 5.051 5.019) 7.120 5.706 ( 0.000 -4.617 -1.424) 4.832 5.706 ( 0.000 4.617 -1.424) 4.832 5.957 ( 0.000 -2.841 -5.346) 6.054 5.957 ( 0.000 2.841 -5.346) 6.054 6.144 ( 0.000 -4.503 5.593) 7.180 6.144 ( 0.000 4.503 5.593) 7.180 6.398 ( 0.000 -4.209 4.040) 5.834 6.398 ( 0.000 4.209 4.040) 5.834 7.417 ( 0.000 -1.279 0.710) 1.463 7.417 ( 0.000 1.279 0.710) 1.463 7.774 ( 0.000 -3.687 0.492) 3.720 7.774 ( 0.000 3.687 0.492) 3.720 7.907 ( 0.000 -3.302 -1.477) 3.617 7.907 ( 0.000 3.302 -1.477) 3.617 8.174 ( 0.000 -3.832 1.204) 4.017 8.174 ( 0.000 3.832 1.204) 4.017 8.699 ( 0.000 -9.951 2.892) 10.363 8.699 ( 0.000 9.951 2.892) 10.363 9.039 ( 0.000 -3.437 -5.141) 6.184 9.039 ( 0.000 3.437 -5.141) 6.184 9.599 ( 0.000 -0.966 1.962) 2.187 9.599 ( 0.000 0.966 1.962) 2.187 9.697 ( 0.000 -1.984 -0.050) 1.985 9.697 ( 0.000 1.984 -0.050) 1.985 10.043 ( 0.000 -3.500 -1.359) 3.755 10.043 ( 0.000 3.500 -1.359) 3.755 10.193 ( 0.000 -1.533 -1.523) 2.161 10.193 ( 0.000 1.533 -1.523) 2.161 10.986 ( 0.000 -4.519 -0.564) 4.554 10.986 ( 0.000 4.519 -0.564) 4.554 11.142 ( 0.000 -8.448 -2.115) 8.708 11.142 ( 0.000 8.448 -2.115) 8.708 12.290 ( 0.000 -3.517 8.590) 9.282 12.290 ( 0.000 3.517 8.590) 9.282 12.649 ( 0.000 -1.170 1.148) 1.639 12.649 ( 0.000 1.170 1.148) 1.639 13.165 ( 0.000 -6.839 2.779) 7.382 13.165 ( 0.000 6.839 2.779) 7.382 13.894 ( 0.000 -4.038 -10.285) 11.049 13.894 ( 0.000 4.038 -10.285) 11.049 14.454 ( 0.000 -5.711 10.850) 12.261 14.454 ( 0.000 5.711 10.850) 12.261 14.917 ( 0.000 -2.579 -1.630) 3.051 14.917 ( 0.000 2.579 -1.630) 3.051 15.128 ( 0.000 -4.006 -1.883) 4.426 15.128 ( 0.000 4.006 -1.883) 4.426 15.892 ( 0.000 -3.086 -3.421) 4.607 15.892 ( 0.000 3.086 -3.421) 4.607 16.279 ( 0.000 -4.922 2.667) 5.598 16.279 ( 0.000 4.922 2.667) 5.598 16.562 ( 0.000 -5.133 -1.648) 5.391 16.562 ( 0.000 5.133 -1.648) 5.391 17.208 ( 0.000 -0.725 0.020) 0.725 17.208 ( 0.000 0.725 0.020) 0.725 17.538 ( 0.000 -1.467 0.075) 1.469 17.538 ( 0.000 1.467 0.075) 1.469 18.125 ( 0.000 -6.522 2.916) 7.144 18.125 ( 0.000 6.522 2.916) 7.144 18.650 ( 0.000 -5.425 -3.016) 6.207 18.650 ( 0.000 5.425 -3.016) 6.207 19.045 ( 0.000 -2.617 2.023) 3.308 19.045 ( 0.000 2.617 2.023) 3.308 19.195 ( 0.000 -0.894 -0.563) 1.056 19.195 ( 0.000 0.894 -0.563) 1.056 19.801 ( 0.000 -8.270 4.770) 9.547 19.801 ( 0.000 8.270 4.770) 9.547 20.296 ( 0.000 -5.913 -6.891) 9.080 20.296 ( 0.000 5.913 -6.891) 9.080 20.875 ( 0.000 -5.720 1.932) 6.037 20.875 ( 0.000 5.720 1.932) 6.037 21.191 ( 0.000 -1.936 -8.854) 9.063 21.191 ( 0.000 1.936 -8.854) 9.063 21.724 ( 0.000 -0.465 4.361) 4.386 21.724 ( 0.000 0.465 4.361) 4.386 22.322 ( 0.000 -3.552 0.821) 3.645 22.322 ( 0.000 3.552 0.821) 3.645 ======================= Grid point 112 (44/72) ======================= q-point: ( 0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 5.707 -12.148 12.599) 18.409 1.671 ( 5.707 12.148 12.599) 18.409 1.776 ( 4.390 -15.595 9.577) 18.819 1.776 ( 4.390 15.595 9.577) 18.819 2.484 ( -0.298 -8.630 -8.682) 12.246 2.484 ( -0.298 8.630 -8.682) 12.246 2.633 ( 3.824 -10.611 -8.108) 13.890 2.633 ( 3.824 10.611 -8.108) 13.890 2.902 ( 3.619 -10.919 2.239) 11.719 2.902 ( 3.619 10.919 2.239) 11.719 3.072 ( -1.808 -3.628 7.320) 8.368 3.072 ( -1.808 3.628 7.320) 8.368 3.286 ( 4.035 -10.212 4.817) 11.990 3.286 ( 4.035 10.212 4.817) 11.990 3.467 ( 0.116 -2.000 0.681) 2.116 3.467 ( 0.116 2.000 0.681) 2.116 3.596 ( -0.700 -5.555 -4.699) 7.310 3.596 ( -0.700 5.555 -4.699) 7.310 3.873 ( -1.511 -8.217 0.758) 8.389 3.873 ( -1.511 8.217 0.758) 8.389 4.084 ( -3.456 -5.608 0.732) 6.628 4.084 ( -3.456 5.608 0.732) 6.628 4.481 ( 2.055 -6.448 -8.977) 11.242 4.481 ( 2.055 6.448 -8.977) 11.242 4.823 ( -0.056 -9.119 -3.074) 9.624 4.823 ( -0.056 9.119 -3.074) 9.624 5.232 ( -5.440 -4.090 -4.839) 8.351 5.232 ( -5.440 4.090 -4.839) 8.351 5.502 ( 2.891 -3.149 1.337) 4.479 5.502 ( 2.891 3.149 1.337) 4.479 5.591 ( 2.743 -5.846 4.449) 7.842 5.591 ( 2.743 5.846 4.449) 7.842 5.724 ( 2.795 -5.535 -0.471) 6.219 5.724 ( 2.795 5.535 -0.471) 6.219 5.969 ( 0.638 -2.588 -5.320) 5.951 5.969 ( 0.638 2.588 -5.320) 5.951 6.162 ( 1.425 -4.798 4.810) 6.942 6.162 ( 1.425 4.798 4.810) 6.942 6.351 ( -4.422 -3.414 3.051) 6.365 6.351 ( -4.422 3.414 3.051) 6.365 7.407 ( -0.765 -2.985 1.249) 3.325 7.407 ( -0.765 2.985 1.249) 3.325 7.758 ( -1.510 -3.195 -0.368) 3.553 7.758 ( -1.510 3.195 -0.368) 3.553 7.922 ( 1.164 -3.255 -0.605) 3.509 7.922 ( 1.164 3.255 -0.605) 3.509 8.172 ( -0.253 -4.800 0.970) 4.903 8.172 ( -0.253 4.800 0.970) 4.903 8.671 ( -3.041 -9.606 2.736) 10.441 8.671 ( -3.041 9.606 2.736) 10.441 8.952 ( -7.330 -4.821 -3.505) 9.448 8.952 ( -7.330 4.821 -3.505) 9.448 9.570 ( -0.351 -3.026 2.612) 4.013 9.570 ( -0.351 3.026 2.612) 4.013 9.775 ( 4.136 -1.128 -2.251) 4.842 9.775 ( 4.136 1.128 -2.251) 4.842 10.092 ( 4.439 -3.551 -2.138) 6.073 10.092 ( 4.439 3.551 -2.138) 6.073 10.213 ( 2.482 -2.614 -0.519) 3.642 10.213 ( 2.482 2.614 -0.519) 3.642 11.051 ( 6.294 -2.375 -0.258) 6.732 11.051 ( 6.294 2.375 -0.258) 6.732 11.227 ( 8.103 -5.496 -2.893) 10.210 11.227 ( 8.103 5.496 -2.893) 10.210 12.288 ( -0.059 -2.958 8.702) 9.191 12.288 ( -0.059 2.958 8.702) 9.191 12.658 ( 0.916 -0.807 0.790) 1.454 12.658 ( 0.916 0.807 0.790) 1.454 13.203 ( 3.691 -7.110 2.845) 8.501 13.203 ( 3.691 7.110 2.845) 8.501 13.812 ( -8.132 -3.867 -8.548) 12.416 13.812 ( -8.132 3.867 -8.548) 12.416 14.427 ( -2.191 -4.234 8.436) 9.690 14.427 ( -2.191 4.234 8.436) 9.690 14.833 ( -6.565 -2.923 -2.747) 7.693 14.833 ( -6.565 2.923 -2.747) 7.693 15.151 ( 0.646 -2.872 1.102) 3.143 15.151 ( 0.646 2.872 1.102) 3.143 15.855 ( -4.093 -5.257 -4.168) 7.859 15.855 ( -4.093 5.257 -4.168) 7.859 16.281 ( 0.321 -4.650 2.182) 5.147 16.281 ( 0.321 4.650 2.182) 5.147 16.599 ( 3.715 -4.851 -1.047) 6.200 16.599 ( 3.715 4.851 -1.047) 6.200 17.252 ( 4.366 -1.993 0.507) 4.826 17.252 ( 4.366 1.993 0.507) 4.826 17.590 ( 4.706 -3.374 -1.129) 5.900 17.590 ( 4.706 3.374 -1.129) 5.900 18.149 ( 2.428 -6.576 2.394) 7.407 18.149 ( 2.428 6.576 2.394) 7.407 18.641 ( -1.276 -5.363 -2.353) 5.994 18.641 ( -1.276 5.363 -2.353) 5.994 19.001 ( -3.168 -3.418 1.959) 5.056 19.001 ( -3.168 3.418 1.959) 5.056 19.165 ( -2.983 -3.557 -0.584) 4.679 19.165 ( -2.983 3.557 -0.584) 4.679 19.840 ( 3.365 -7.417 4.278) 9.200 19.840 ( 3.365 7.417 4.278) 9.200 20.294 ( -0.125 -6.092 -5.939) 8.509 20.294 ( -0.125 6.092 -5.939) 8.509 20.873 ( -0.249 -5.718 1.781) 5.994 20.873 ( -0.249 5.718 1.781) 5.994 21.167 ( -2.501 -2.534 -7.795) 8.570 21.167 ( -2.501 2.534 -7.795) 8.570 21.715 ( -0.573 -0.672 4.179) 4.271 21.715 ( -0.573 0.672 4.179) 4.271 22.314 ( -1.042 -4.444 0.116) 4.566 22.314 ( -1.042 4.444 0.116) 4.566 ======================= Grid point 114 (45/72) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 6.404 -15.978 10.943) 20.398 1.786 ( 6.404 15.978 10.943) 20.398 1.919 ( 9.967 -15.349 7.322) 19.711 1.919 ( 9.967 15.349 7.322) 19.711 2.479 ( -0.483 -5.156 -7.909) 9.453 2.479 ( -0.483 5.156 -7.909) 9.453 2.722 ( 4.571 -6.209 -6.786) 10.271 2.722 ( 4.571 6.209 -6.786) 10.271 2.941 ( 0.115 -1.300 -0.780) 1.521 2.941 ( 0.115 1.300 -0.780) 1.521 3.057 ( 0.774 -5.712 4.046) 7.043 3.057 ( 0.774 5.712 4.046) 7.043 3.313 ( -2.877 -2.375 2.037) 4.251 3.313 ( -2.877 2.375 2.037) 4.251 3.511 ( 3.830 -4.000 3.269) 6.430 3.511 ( 3.830 4.000 3.269) 6.430 3.598 ( 1.452 -7.135 -3.880) 8.251 3.598 ( 1.452 7.135 -3.880) 8.251 3.803 ( -4.806 -2.962 -0.553) 5.673 3.803 ( -4.806 2.962 -0.553) 5.673 4.063 ( 1.817 -8.641 2.569) 9.196 4.063 ( 1.817 8.641 2.569) 9.196 4.514 ( 1.167 -4.410 -2.412) 5.160 4.514 ( 1.167 4.410 -2.412) 5.160 4.826 ( 0.545 -9.555 -5.658) 11.118 4.826 ( 0.545 9.555 -5.658) 11.118 5.125 ( -5.310 -5.094 -2.841) 7.888 5.125 ( -5.310 5.094 -2.841) 7.888 5.515 ( -1.049 -1.943 3.846) 4.435 5.515 ( -1.049 1.943 3.846) 4.435 5.651 ( 2.367 -8.014 1.857) 8.560 5.651 ( 2.367 8.014 1.857) 8.560 5.830 ( 7.434 -5.041 -0.829) 9.021 5.830 ( 7.434 5.041 -0.829) 9.021 5.971 ( -0.245 -2.292 -2.896) 3.701 5.971 ( -0.245 2.292 -2.896) 3.701 6.173 ( -0.774 -5.183 2.897) 5.988 6.173 ( -0.774 5.183 2.897) 5.988 6.265 ( -3.315 -3.743 0.561) 5.031 6.265 ( -3.315 3.743 0.561) 5.031 7.403 ( 0.727 -3.996 2.186) 4.613 7.403 ( 0.727 3.996 2.186) 4.613 7.727 ( -1.473 -2.988 -1.092) 3.506 7.727 ( -1.473 2.988 -1.092) 3.506 7.934 ( -0.290 -4.409 0.497) 4.447 7.934 ( -0.290 4.409 0.497) 4.447 8.154 ( -2.116 -5.782 0.108) 6.159 8.154 ( -2.116 5.782 0.108) 6.159 8.590 ( -4.630 -7.840 2.696) 9.496 8.590 ( -4.630 7.840 2.696) 9.496 8.821 ( -5.535 -5.588 -2.367) 8.214 8.821 ( -5.535 5.588 -2.367) 8.214 9.594 ( 2.430 -2.750 2.415) 4.393 9.594 ( 2.430 2.750 2.415) 4.393 9.818 ( 0.799 -2.288 -2.730) 3.650 9.818 ( 0.799 2.288 -2.730) 3.650 10.172 ( 3.323 -1.937 -1.310) 4.063 10.172 ( 3.323 1.937 -1.310) 4.063 10.298 ( 5.992 -1.879 -1.267) 6.407 10.298 ( 5.992 1.879 -1.267) 6.407 11.197 ( 8.163 -0.945 0.512) 8.233 11.197 ( 8.163 0.945 0.512) 8.233 11.403 ( 9.022 -2.991 -4.079) 10.343 11.403 ( 9.022 2.991 -4.079) 10.343 12.300 ( 1.613 -1.893 8.342) 8.705 12.300 ( 1.613 1.893 8.342) 8.705 12.680 ( 1.205 -0.439 0.075) 1.284 12.680 ( 1.205 0.439 0.075) 1.284 13.287 ( 4.240 -8.129 2.600) 9.530 13.287 ( 4.240 8.129 2.600) 9.530 13.629 ( -9.294 -4.125 -5.046) 11.351 13.629 ( -9.294 4.125 -5.046) 11.351 14.393 ( -1.163 -3.185 3.928) 5.189 14.393 ( -1.163 3.185 3.928) 5.189 14.710 ( -5.899 -2.649 -2.086) 6.795 14.710 ( -5.899 2.649 -2.086) 6.795 15.130 ( -2.555 -3.160 3.602) 5.430 15.130 ( -2.555 3.160 3.602) 5.430 15.731 ( -8.529 -7.143 -5.674) 12.488 15.731 ( -8.529 7.143 -5.674) 12.488 16.304 ( 2.437 -2.547 2.347) 4.235 16.304 ( 2.437 2.547 2.347) 4.235 16.689 ( 5.122 -5.450 -0.087) 7.480 16.689 ( 5.122 5.450 -0.087) 7.480 17.356 ( 5.896 -3.458 0.729) 6.874 17.356 ( 5.896 3.458 0.729) 6.874 17.685 ( 4.483 -4.702 -3.020) 7.164 17.685 ( 4.483 4.702 -3.020) 7.164 18.209 ( 3.658 -6.951 1.659) 8.028 18.209 ( 3.658 6.951 1.659) 8.028 18.588 ( -4.071 -5.173 -0.778) 6.628 18.588 ( -4.071 5.173 -0.778) 6.628 18.966 ( -0.462 -4.822 1.306) 5.017 18.966 ( -0.462 4.822 1.306) 5.017 19.102 ( -2.837 -4.340 -0.455) 5.205 19.102 ( -2.837 4.340 -0.455) 5.205 19.901 ( 2.571 -7.304 3.091) 8.337 19.901 ( 2.571 7.304 3.091) 8.337 20.291 ( -0.330 -7.281 -3.938) 8.284 20.291 ( -0.330 7.281 -3.938) 8.284 20.866 ( -0.433 -5.631 1.175) 5.769 20.866 ( -0.433 5.631 1.175) 5.769 21.100 ( -4.242 -3.805 -5.406) 7.855 21.100 ( -4.242 3.805 -5.406) 7.855 21.717 ( 0.934 -1.924 3.466) 4.073 21.717 ( 0.934 1.924 3.466) 4.073 22.275 ( -3.098 -4.683 -0.899) 5.686 22.275 ( -3.098 4.683 -0.899) 5.686 ======================= Grid point 116 (46/72) ======================= q-point: ( 0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 9.603 -9.387 6.932) 15.113 1.939 ( 9.603 9.387 6.932) 15.113 2.111 ( 8.912 -8.464 4.489) 13.085 2.111 ( 8.912 8.464 4.489) 13.085 2.469 ( 0.286 -2.877 -3.050) 4.203 2.469 ( 0.286 2.877 -3.050) 4.203 2.765 ( -1.162 -1.708 -4.651) 5.089 2.765 ( -1.162 1.708 -4.651) 5.089 2.941 ( 1.004 -1.243 -2.612) 3.062 2.941 ( 1.004 1.243 -2.612) 3.062 3.071 ( -0.938 -4.767 -0.664) 4.903 3.071 ( -0.938 4.767 -0.664) 4.903 3.214 ( -5.769 -3.159 0.717) 6.616 3.214 ( -5.769 3.159 0.717) 6.616 3.521 ( -2.549 -4.031 -2.539) 5.403 3.521 ( -2.549 4.031 -2.539) 5.403 3.625 ( 0.416 -5.018 1.559) 5.271 3.625 ( 0.416 5.018 1.559) 5.271 3.765 ( 0.761 -3.592 -0.228) 3.678 3.765 ( 0.761 3.592 -0.228) 3.678 4.154 ( 7.342 -10.652 4.282) 13.627 4.154 ( 7.342 10.652 4.282) 13.627 4.529 ( 0.686 -4.325 2.755) 5.173 4.529 ( 0.686 4.325 2.755) 5.173 4.841 ( 0.696 -10.109 -5.743) 11.647 4.841 ( 0.696 10.109 -5.743) 11.647 5.036 ( -4.053 -6.649 -1.926) 8.022 5.036 ( -4.053 6.649 -1.926) 8.022 5.488 ( -1.276 -1.874 3.118) 3.855 5.488 ( -1.276 1.874 3.118) 3.855 5.652 ( -2.326 -6.561 0.126) 6.962 5.652 ( -2.326 6.561 0.126) 6.962 5.932 ( 1.523 -2.983 0.083) 3.350 5.932 ( 1.523 2.983 0.083) 3.350 6.006 ( 5.034 -6.004 -1.276) 7.939 6.006 ( 5.034 6.004 -1.276) 7.939 6.156 ( 0.022 -3.848 0.547) 3.887 6.156 ( 0.022 3.848 0.547) 3.887 6.231 ( -0.777 -4.056 -0.110) 4.131 6.231 ( -0.777 4.056 -0.110) 4.131 7.441 ( 3.270 -4.344 2.640) 6.044 7.441 ( 3.270 4.344 2.640) 6.044 7.703 ( -1.155 -3.224 -0.995) 3.566 7.703 ( -1.155 3.224 -0.995) 3.566 7.903 ( -2.877 -5.738 1.249) 6.539 7.903 ( -2.877 5.738 1.249) 6.539 8.075 ( -6.115 -5.703 -0.782) 8.398 8.075 ( -6.115 5.703 -0.782) 8.398 8.532 ( -0.856 -7.428 2.368) 7.844 8.532 ( -0.856 7.428 2.368) 7.844 8.744 ( -2.846 -4.809 -2.177) 5.997 8.744 ( -2.846 4.809 -2.177) 5.997 9.645 ( 2.689 -2.069 1.717) 3.802 9.645 ( 2.689 2.069 1.717) 3.802 9.820 ( -0.463 -2.841 -1.892) 3.445 9.820 ( -0.463 2.841 -1.892) 3.445 10.223 ( 2.225 -2.069 0.490) 3.078 10.223 ( 2.225 2.069 0.490) 3.078 10.415 ( 5.632 -1.190 -2.776) 6.390 10.415 ( 5.632 1.190 -2.776) 6.390 11.335 ( 5.780 -1.729 1.168) 6.145 11.335 ( 5.780 1.729 1.168) 6.145 11.539 ( 4.899 -2.818 -4.012) 6.931 11.539 ( 4.899 2.818 -4.012) 6.931 12.353 ( 3.817 -1.396 6.696) 7.832 12.353 ( 3.817 1.396 6.696) 7.832 12.695 ( 0.069 -2.186 -0.455) 2.234 12.695 ( 0.069 2.186 -0.455) 2.234 13.331 ( 0.392 -8.345 0.044) 8.354 13.331 ( 0.392 8.345 0.044) 8.354 13.515 ( -2.215 -8.221 -0.310) 8.520 13.515 ( -2.215 8.221 -0.310) 8.520 14.381 ( -0.178 -2.337 1.436) 2.749 14.381 ( -0.178 2.337 1.436) 2.749 14.616 ( -3.807 -2.534 -1.310) 4.757 14.616 ( -3.807 2.534 -1.310) 4.757 15.073 ( -2.820 -3.806 4.048) 6.231 15.073 ( -2.820 3.806 4.048) 6.231 15.551 ( -9.715 -6.447 -5.829) 13.035 15.551 ( -9.715 6.447 -5.829) 13.035 16.372 ( 4.356 -1.986 3.108) 5.708 16.372 ( 4.356 1.986 3.108) 5.708 16.771 ( 2.966 -6.530 -0.506) 7.190 16.771 ( 2.966 6.530 -0.506) 7.190 17.467 ( 5.736 -3.176 0.611) 6.585 17.467 ( 5.736 3.176 0.611) 6.585 17.741 ( 1.117 -4.740 -3.906) 6.243 17.741 ( 1.117 4.740 -3.906) 6.243 18.288 ( 4.575 -6.811 1.691) 8.377 18.288 ( 4.575 6.811 1.691) 8.377 18.513 ( -3.136 -6.054 0.080) 6.819 18.513 ( -3.136 6.054 0.080) 6.819 18.960 ( -0.578 -4.421 1.249) 4.630 18.960 ( -0.578 4.421 1.249) 4.630 19.071 ( -0.759 -2.135 -0.933) 2.451 19.071 ( -0.759 2.135 -0.933) 2.451 19.942 ( 2.125 -8.488 1.812) 8.936 19.942 ( 2.125 8.488 1.812) 8.936 20.270 ( -2.221 -8.623 -2.166) 9.165 20.270 ( -2.221 8.623 -2.166) 9.165 20.857 ( -0.377 -4.807 0.126) 4.823 20.857 ( -0.377 4.807 0.126) 4.823 21.020 ( -3.769 -2.986 -3.019) 5.678 21.020 ( -3.769 2.986 -3.019) 5.678 21.751 ( 2.545 -2.331 2.832) 4.465 21.751 ( 2.545 2.331 2.832) 4.465 22.199 ( -4.631 -3.973 -1.389) 6.258 22.199 ( -4.631 3.973 -1.389) 6.258 ======================= Grid point 118 (47/72) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 5.738 -1.722 2.353) 6.436 2.110 ( 5.738 1.722 2.353) 6.436 2.242 ( 6.653 -4.833 3.040) 8.767 2.242 ( 6.653 4.833 3.040) 8.767 2.524 ( 4.784 -1.788 0.135) 5.109 2.524 ( 4.784 1.788 0.135) 5.109 2.698 ( -4.434 -2.360 -5.356) 7.343 2.698 ( -4.434 2.360 -5.356) 7.343 2.928 ( -3.791 -2.110 -2.165) 4.849 2.928 ( -3.791 2.110 -2.165) 4.849 3.011 ( -4.692 -2.483 -1.276) 5.460 3.011 ( -4.692 2.483 -1.276) 5.460 3.162 ( 1.905 -3.996 2.641) 5.155 3.162 ( 1.905 3.996 2.641) 5.155 3.456 ( -4.059 -3.084 -1.977) 5.468 3.456 ( -4.059 3.084 -1.977) 5.468 3.643 ( 1.830 -7.619 0.029) 7.836 3.643 ( 1.830 7.619 0.029) 7.836 3.764 ( -1.323 -3.804 -0.612) 4.074 3.764 ( -1.323 3.804 -0.612) 4.074 4.310 ( 8.040 -6.196 4.529) 11.115 4.310 ( 8.040 6.196 4.529) 11.115 4.539 ( -0.159 -3.892 3.661) 5.345 4.539 ( -0.159 3.892 3.661) 5.345 4.846 ( 0.091 -7.352 -2.639) 7.812 4.846 ( 0.091 7.352 -2.639) 7.812 4.966 ( -3.263 -5.264 -2.426) 6.651 4.966 ( -3.263 5.264 -2.426) 6.651 5.483 ( 1.007 -4.110 1.464) 4.478 5.483 ( 1.007 4.110 1.464) 4.478 5.587 ( -3.764 -5.457 -0.183) 6.631 5.587 ( -3.764 5.457 -0.183) 6.631 5.946 ( 0.473 -3.838 0.356) 3.883 5.946 ( 0.473 3.838 0.356) 3.883 6.078 ( 1.542 -5.983 -3.094) 6.910 6.078 ( 1.542 5.983 -3.094) 6.910 6.182 ( 2.390 -2.775 0.899) 3.771 6.182 ( 2.390 2.775 0.899) 3.771 6.228 ( 0.263 -3.858 0.733) 3.936 6.228 ( 0.263 3.858 0.733) 3.936 7.521 ( 4.791 -5.096 2.411) 7.399 7.521 ( 4.791 5.096 2.411) 7.399 7.676 ( -1.856 -4.307 0.090) 4.691 7.676 ( -1.856 4.307 0.090) 4.691 7.837 ( -3.381 -5.482 1.297) 6.570 7.837 ( -3.381 5.482 1.297) 6.570 7.951 ( -5.745 -3.740 -0.828) 6.905 7.951 ( -5.745 3.740 -0.828) 6.905 8.551 ( 2.160 -5.904 1.115) 6.384 8.551 ( 2.160 5.904 1.115) 6.384 8.700 ( -1.980 -3.827 -1.861) 4.694 8.700 ( -1.980 3.827 -1.861) 4.694 9.697 ( 2.734 -1.906 0.965) 3.470 9.697 ( 2.734 1.906 0.965) 3.470 9.798 ( -1.873 -2.886 -0.935) 3.566 9.798 ( -1.873 2.886 -0.935) 3.566 10.259 ( 1.412 -1.510 1.468) 2.535 10.259 ( 1.412 1.510 1.468) 2.535 10.501 ( 3.184 -0.502 -3.552) 4.796 10.501 ( 3.184 0.502 -3.552) 4.796 11.413 ( 2.467 -1.269 1.576) 3.191 11.413 ( 2.467 1.269 1.576) 3.191 11.595 ( 1.376 -1.809 -3.303) 4.010 11.595 ( 1.376 1.809 -3.303) 4.010 12.432 ( 3.888 -1.456 4.740) 6.302 12.432 ( 3.888 1.456 4.740) 6.302 12.675 ( -1.947 -3.123 -0.595) 3.728 12.675 ( -1.947 3.123 -0.595) 3.728 13.353 ( 2.710 -6.309 -0.822) 6.915 13.353 ( 2.710 6.309 -0.822) 6.915 13.490 ( -1.767 -6.921 1.309) 7.262 13.490 ( -1.766 6.921 1.309) 7.262 14.386 ( 0.731 -1.255 1.291) 1.943 14.386 ( 0.731 1.255 1.291) 1.943 14.559 ( -2.447 -1.564 -0.947) 3.055 14.559 ( -2.447 1.564 -0.947) 3.055 15.043 ( -0.106 -3.064 2.828) 4.171 15.043 ( -0.106 3.064 2.828) 4.171 15.382 ( -7.391 -4.490 -4.652) 9.820 15.382 ( -7.391 4.490 -4.652) 9.820 16.454 ( 3.712 -1.529 3.835) 5.552 16.454 ( 3.712 1.529 3.835) 5.552 16.799 ( 0.189 -4.758 -1.706) 5.058 16.799 ( 0.189 4.758 -1.706) 5.058 17.573 ( 5.263 -3.974 -0.123) 6.596 17.573 ( 5.263 3.974 -0.123) 6.596 17.729 ( -2.199 -5.996 -3.041) 7.074 17.729 ( -2.199 5.996 -3.041) 7.074 18.371 ( 3.396 -7.043 1.950) 8.059 18.371 ( 3.396 7.043 1.950) 8.059 18.480 ( -0.310 -7.985 0.424) 8.002 18.480 ( -0.310 7.985 0.424) 8.002 18.955 ( 0.578 -3.100 0.583) 3.207 18.955 ( 0.578 3.100 0.583) 3.207 19.047 ( -2.112 -1.133 -1.144) 2.656 19.047 ( -2.112 1.133 -1.144) 2.656 19.996 ( 3.648 -8.973 0.847) 9.723 19.996 ( 3.648 8.973 0.847) 9.723 20.202 ( -4.635 -9.436 -1.149) 10.575 20.202 ( -4.635 9.436 -1.149) 10.575 20.856 ( 0.256 -2.829 -0.288) 2.855 20.856 ( 0.256 2.829 -0.288) 2.855 20.963 ( -2.173 -1.172 -1.737) 3.019 20.963 ( -2.173 1.172 -1.737) 3.019 21.806 ( 2.916 -1.739 2.720) 4.350 21.806 ( 2.916 1.739 2.720) 4.350 22.110 ( -4.281 -2.724 -1.685) 5.346 22.110 ( -4.281 2.724 -1.685) 5.346 ======================= Grid point 120 (48/72) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 0.000 -0.000 1.744) 1.744 2.146 ( 0.000 0.000 1.744) 1.744 2.347 ( 0.000 0.000 1.184) 1.184 2.347 ( 0.000 0.000 1.184) 1.184 2.586 ( 0.000 0.000 -0.277) 0.277 2.586 ( 0.000 0.000 -0.277) 0.277 2.633 ( 0.000 -0.000 -3.992) 3.992 2.633 ( -0.000 0.000 -3.992) 3.992 2.910 ( 0.001 -0.000 -0.444) 0.444 2.910 ( 0.001 0.002 -0.444) 0.444 2.910 ( -0.001 -0.002 -3.124) 3.124 2.910 ( -0.001 0.000 -3.124) 3.124 3.219 ( 0.000 0.000 4.182) 4.182 3.219 ( 0.000 0.000 4.182) 4.182 3.392 ( -0.000 0.000 0.352) 0.352 3.392 ( 0.000 0.000 0.352) 0.352 3.677 ( -0.000 0.000 -1.093) 1.093 3.677 ( 0.000 0.000 -1.093) 1.093 3.736 ( 0.000 -0.000 -2.130) 2.130 3.736 ( 0.000 0.000 -2.130) 2.130 4.413 ( 0.000 -0.000 3.465) 3.465 4.413 ( 0.000 0.000 3.465) 3.465 4.518 ( 0.000 -0.000 4.064) 4.064 4.518 ( -0.000 0.000 4.064) 4.064 4.851 ( 0.000 -0.000 -1.521) 1.521 4.851 ( 0.000 0.000 -1.521) 1.521 4.927 ( 0.000 -0.000 -2.147) 2.147 4.927 ( 0.000 0.000 -2.147) 2.147 5.521 ( 0.000 -0.000 0.443) 0.443 5.521 ( 0.000 0.000 0.443) 0.443 5.523 ( -0.000 -0.000 0.328) 0.328 5.523 ( -0.000 0.000 0.328) 0.328 5.951 ( 0.000 -0.000 0.034) 0.034 5.951 ( 0.000 0.000 0.034) 0.034 6.087 ( 0.000 -0.000 -4.099) 4.099 6.087 ( 0.000 0.000 -4.099) 4.099 6.216 ( 0.000 -0.000 1.441) 1.441 6.216 ( 0.000 0.000 1.441) 1.441 6.228 ( 0.000 -0.000 1.179) 1.179 6.228 ( 0.000 0.000 1.179) 1.179 7.594 ( -0.000 -0.000 1.385) 1.385 7.594 ( 0.000 -0.000 1.385) 1.385 7.637 ( 0.000 0.000 1.827) 1.827 7.637 ( 0.000 0.000 1.827) 1.827 7.800 ( 0.000 -0.000 1.440) 1.440 7.800 ( 0.000 0.000 1.440) 1.440 7.890 ( 0.000 -0.000 -1.277) 1.277 7.890 ( 0.000 0.000 -1.277) 1.277 8.581 ( 0.000 0.000 0.500) 0.500 8.581 ( 0.000 0.000 0.500) 0.500 8.674 ( 0.000 -0.000 -1.688) 1.688 8.674 ( 0.000 0.000 -1.688) 1.688 9.745 ( 0.000 -0.000 0.355) 0.355 9.745 ( -0.000 0.000 0.355) 0.355 9.756 ( -0.000 -0.000 -0.188) 0.188 9.756 ( 0.000 0.000 -0.188) 0.188 10.273 ( 0.000 0.000 1.752) 1.752 10.273 ( 0.000 0.000 1.752) 1.752 10.532 ( 0.000 0.000 -3.840) 3.840 10.532 ( 0.000 0.000 -3.840) 3.840 11.436 ( 0.000 -0.000 1.748) 1.748 11.436 ( 0.000 0.000 1.748) 1.748 11.606 ( 0.000 -0.000 -3.014) 3.014 11.606 ( 0.000 0.000 -3.014) 3.014 12.476 ( 0.000 0.000 4.009) 4.009 12.476 ( 0.000 0.000 4.009) 4.009 12.648 ( 0.000 -0.000 -0.625) 0.625 12.648 ( 0.000 0.000 -0.625) 0.625 13.410 ( -0.000 -0.000 0.642) 0.642 13.410 ( 0.000 0.000 0.642) 0.642 13.447 ( 0.000 -0.000 -0.162) 0.162 13.447 ( 0.000 0.000 -0.162) 0.162 14.398 ( 0.000 0.000 1.729) 1.729 14.398 ( 0.000 0.000 1.729) 1.729 14.530 ( -0.000 0.000 -0.747) 0.747 14.530 ( 0.000 0.000 -0.747) 0.747 15.051 ( 0.000 0.000 1.666) 1.666 15.051 ( 0.000 0.000 1.666) 1.666 15.301 ( 0.000 0.000 -3.749) 3.749 15.301 ( 0.000 0.000 -3.749) 3.749 16.494 ( 0.000 0.000 4.315) 4.315 16.494 ( 0.000 0.000 4.315) 4.315 16.796 ( 0.000 0.000 -2.460) 2.460 16.796 ( 0.000 0.000 -2.460) 2.460 17.655 ( 0.000 -0.000 -1.310) 1.310 17.655 ( 0.000 0.000 -1.310) 1.310 17.676 ( -0.000 -0.000 -1.686) 1.686 17.676 ( 0.000 0.000 -1.686) 1.686 18.403 ( 0.000 -0.000 2.443) 2.443 18.403 ( 0.000 0.000 2.443) 2.443 18.483 ( -0.000 -0.000 0.319) 0.319 18.483 ( 0.000 0.000 0.319) 0.319 18.982 ( 0.000 -0.000 -0.494) 0.494 18.982 ( 0.000 0.000 -0.494) 0.494 19.002 ( -0.000 -0.000 -0.669) 0.669 19.002 ( 0.000 0.000 -0.669) 0.669 20.059 ( -0.000 0.000 0.501) 0.501 20.059 ( 0.000 0.000 0.501) 0.501 20.128 ( 0.000 -0.000 -0.853) 0.853 20.128 ( 0.000 -0.000 -0.853) 0.853 20.861 ( 0.000 -0.000 0.036) 0.036 20.861 ( 0.000 0.000 0.036) 0.036 20.940 ( 0.000 0.000 -1.710) 1.710 20.940 ( 0.000 0.000 -1.710) 1.710 21.841 ( 0.000 0.000 3.000) 3.000 21.841 ( 0.000 0.000 3.000) 3.000 22.061 ( 0.000 0.000 -2.054) 2.054 22.061 ( 0.000 0.000 -2.054) 2.054 ======================= Grid point 154 (49/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 0.000 0.000 25.620) 25.620 1.220 ( 0.000 0.000 28.270) 28.270 1.592 ( 0.000 0.000 -22.493) 22.493 1.740 ( 0.000 0.000 -19.480) 19.480 2.212 ( 0.000 0.000 42.576) 42.576 2.652 ( 0.000 0.000 11.964) 11.964 2.663 ( 0.000 0.000 2.104) 2.104 2.778 ( 0.000 0.000 0.633) 0.633 2.849 ( 0.000 0.000 -3.386) 3.386 3.046 ( 0.000 0.000 0.389) 0.389 3.064 ( 0.000 0.000 -6.287) 6.287 3.146 ( 0.000 0.000 -33.671) 33.671 3.162 ( 0.000 0.000 3.091) 3.091 3.258 ( 0.000 0.000 -5.194) 5.194 3.445 ( 0.000 0.000 4.924) 4.924 3.517 ( 0.000 0.000 -2.427) 2.427 3.566 ( 0.000 0.000 6.241) 6.241 3.641 ( 0.000 0.000 -1.740) 1.740 3.877 ( 0.000 0.000 2.277) 2.277 3.938 ( 0.000 0.000 -5.655) 5.655 4.064 ( 0.000 0.000 2.030) 2.030 4.158 ( 0.000 0.000 -5.924) 5.924 4.628 ( 0.000 0.000 6.126) 6.126 4.705 ( 0.000 0.000 0.343) 0.343 4.756 ( 0.000 0.000 1.306) 1.306 4.826 ( 0.000 0.000 -8.160) 8.160 5.012 ( 0.000 0.000 -0.343) 0.343 5.034 ( 0.000 0.000 -3.331) 3.331 5.199 ( 0.000 0.000 5.943) 5.943 5.305 ( 0.000 0.000 -3.490) 3.490 5.510 ( 0.000 0.000 2.151) 2.151 5.568 ( 0.000 0.000 -2.591) 2.591 5.676 ( 0.000 0.000 5.469) 5.469 5.758 ( 0.000 0.000 -1.447) 1.447 5.934 ( 0.000 0.000 1.277) 1.277 5.943 ( 0.000 0.000 0.159) 0.159 6.115 ( 0.000 0.000 -0.430) 0.430 6.132 ( 0.000 0.000 -1.329) 1.329 6.640 ( 0.000 0.000 4.750) 4.750 6.702 ( 0.000 0.000 -1.623) 1.623 7.311 ( 0.000 0.000 1.587) 1.587 7.354 ( 0.000 0.000 -2.530) 2.530 7.789 ( 0.000 0.000 0.357) 0.357 7.804 ( 0.000 0.000 -1.125) 1.125 7.956 ( 0.000 0.000 2.299) 2.299 8.011 ( 0.000 0.000 -2.655) 2.655 8.279 ( 0.000 0.000 4.555) 4.555 8.329 ( 0.000 0.000 -0.083) 0.083 8.690 ( 0.000 0.000 -1.620) 1.620 8.697 ( 0.000 0.000 -2.019) 2.019 9.151 ( 0.000 0.000 1.545) 1.545 9.174 ( 0.000 0.000 -0.636) 0.636 9.578 ( 0.000 0.000 4.417) 4.417 9.628 ( 0.000 0.000 -0.279) 0.279 9.684 ( 0.000 0.000 2.199) 2.199 9.736 ( 0.000 0.000 -2.681) 2.681 10.014 ( 0.000 0.000 -0.155) 0.155 10.015 ( 0.000 0.000 -0.936) 0.936 10.113 ( 0.000 0.000 -0.192) 0.192 10.161 ( 0.000 0.000 -3.977) 3.977 10.618 ( 0.000 0.000 3.380) 3.380 10.682 ( 0.000 0.000 -2.872) 2.872 11.324 ( 0.000 0.000 4.540) 4.540 11.429 ( 0.000 0.000 -5.505) 5.505 12.539 ( 0.000 0.000 6.407) 6.407 12.613 ( 0.000 0.000 2.110) 2.110 12.632 ( 0.000 0.000 -2.376) 2.376 12.660 ( 0.000 0.000 -2.200) 2.200 13.379 ( 0.000 0.000 0.188) 0.188 13.407 ( 0.000 0.000 -2.313) 2.313 13.642 ( 0.000 0.000 1.660) 1.660 13.695 ( 0.000 0.000 -3.659) 3.659 14.409 ( 0.000 0.000 0.877) 0.877 14.430 ( 0.000 0.000 -1.270) 1.270 14.896 ( 0.000 0.000 3.122) 3.122 14.933 ( 0.000 0.000 -1.385) 1.385 14.968 ( 0.000 0.000 7.952) 7.952 15.118 ( 0.000 0.000 -5.475) 5.475 15.828 ( 0.000 0.000 3.688) 3.688 15.903 ( 0.000 0.000 -3.532) 3.532 16.262 ( 0.000 0.000 -1.426) 1.426 16.273 ( 0.000 0.000 -2.882) 2.882 16.899 ( 0.000 0.000 0.804) 0.804 16.915 ( 0.000 0.000 -0.937) 0.937 17.060 ( 0.000 0.000 4.839) 4.839 17.129 ( 0.000 0.000 -1.754) 1.754 17.786 ( 0.000 0.000 1.132) 1.132 17.815 ( 0.000 0.000 -1.631) 1.631 17.979 ( 0.000 0.000 6.898) 6.898 18.133 ( 0.000 0.000 -7.884) 7.884 18.527 ( 0.000 0.000 1.274) 1.274 18.537 ( 0.000 0.000 0.262) 0.262 18.908 ( 0.000 0.000 1.067) 1.067 18.952 ( 0.000 0.000 -3.220) 3.220 19.130 ( 0.000 0.000 1.434) 1.434 19.153 ( 0.000 0.000 -0.739) 0.739 19.512 ( 0.000 0.000 0.596) 0.596 19.524 ( 0.000 0.000 -0.576) 0.576 20.221 ( 0.000 0.000 3.963) 3.963 20.293 ( 0.000 0.000 -2.920) 2.920 20.679 ( 0.000 0.000 11.721) 11.721 20.891 ( 0.000 0.000 -6.931) 6.931 21.060 ( 0.000 0.000 -1.851) 1.851 21.062 ( 0.000 0.000 -3.632) 3.632 21.837 ( 0.000 0.000 1.825) 1.825 21.871 ( 0.000 0.000 -1.550) 1.550 22.489 ( 0.000 0.000 0.661) 0.661 22.503 ( 0.000 0.000 -0.611) 0.611 ======================= Grid point 155 (50/72) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 12.377 0.000 21.782) 25.053 1.360 ( 12.497 0.000 21.942) 25.251 1.703 ( 10.325 0.000 -19.668) 22.214 1.840 ( 9.134 0.000 -18.352) 20.499 2.361 ( 15.244 0.000 38.183) 41.113 2.664 ( 1.422 0.000 13.490) 13.565 2.713 ( 4.725 0.000 3.763) 6.040 2.785 ( 1.174 0.000 -1.111) 1.616 2.857 ( 0.626 0.000 -4.288) 4.333 3.007 ( -4.544 0.000 0.041) 4.544 3.035 ( -2.542 0.000 -4.240) 4.944 3.130 ( -0.585 0.000 -4.804) 4.839 3.235 ( 5.345 0.000 -21.563) 22.215 3.244 ( -1.368 0.000 -4.649) 4.846 3.443 ( 0.665 0.000 3.878) 3.935 3.495 ( -2.629 0.000 -1.074) 2.840 3.549 ( -1.077 0.000 3.632) 3.788 3.605 ( -2.738 0.000 -1.850) 3.304 3.850 ( -2.818 0.000 1.283) 3.096 3.912 ( -3.362 0.000 -5.809) 6.711 4.006 ( -4.873 0.000 2.030) 5.279 4.104 ( -4.926 0.000 -6.706) 8.321 4.625 ( -1.225 0.000 7.521) 7.620 4.712 ( -0.155 0.000 2.289) 2.294 4.730 ( -0.832 0.000 -2.327) 2.471 4.843 ( 0.066 0.000 -9.162) 9.163 4.968 ( -1.491 0.000 2.606) 3.002 5.035 ( -0.608 0.000 -3.123) 3.181 5.198 ( 0.284 0.000 5.966) 5.973 5.309 ( 0.343 0.000 -3.950) 3.965 5.544 ( 2.178 0.000 2.341) 3.198 5.592 ( 1.210 0.000 -1.996) 2.334 5.731 ( 5.129 0.000 3.564) 6.246 5.792 ( 3.699 0.000 -1.477) 3.983 5.975 ( 4.279 0.000 1.366) 4.492 5.988 ( 4.457 0.000 -0.382) 4.473 6.132 ( 1.496 0.000 -0.048) 1.497 6.152 ( 1.805 0.000 -1.542) 2.374 6.588 ( -5.192 0.000 5.294) 7.415 6.666 ( -4.229 0.000 -2.541) 4.933 7.309 ( 0.090 0.000 1.977) 1.979 7.361 ( 0.556 0.000 -3.067) 3.117 7.780 ( -0.978 0.000 0.055) 0.980 7.782 ( -2.208 0.000 -0.243) 2.221 7.929 ( -1.993 0.000 2.853) 3.480 7.975 ( -2.363 0.000 -1.002) 2.567 8.299 ( 1.236 0.000 5.346) 5.487 8.366 ( 3.223 0.000 -0.968) 3.365 8.597 ( -7.705 0.000 -1.520) 7.853 8.614 ( -7.257 0.000 -2.709) 7.746 9.154 ( -0.988 0.000 2.345) 2.545 9.195 ( -0.198 0.000 -1.527) 1.540 9.557 ( -1.422 0.000 2.733) 3.081 9.588 ( -1.432 0.000 0.917) 1.700 9.689 ( -3.089 0.000 -1.400) 3.391 9.697 ( -1.016 0.000 -1.262) 1.620 10.067 ( 4.927 0.000 0.608) 4.964 10.100 ( 4.320 0.000 -2.201) 4.848 10.117 ( 4.693 0.000 3.604) 5.918 10.226 ( 5.666 0.000 -6.293) 8.467 10.716 ( 9.232 0.000 2.580) 9.586 10.766 ( 7.939 0.000 -2.197) 8.238 11.374 ( 4.767 0.000 3.498) 5.913 11.465 ( 3.484 0.000 -5.091) 6.169 12.527 ( -0.901 0.000 5.608) 5.680 12.608 ( -1.438 0.000 -2.276) 2.692 12.633 ( 1.652 0.000 3.183) 3.586 12.695 ( 2.381 0.000 -2.604) 3.529 13.194 ( -12.121 0.000 11.714) 16.857 13.403 ( -5.689 0.000 -9.513) 11.084 13.674 ( 3.215 0.000 1.642) 3.610 13.734 ( 4.471 0.000 -4.254) 6.171 14.378 ( -4.049 0.000 1.078) 4.190 14.390 ( -2.320 0.000 -0.260) 2.335 14.735 ( -8.003 0.000 5.785) 9.875 14.815 ( -7.351 0.000 -2.270) 7.694 15.139 ( 5.012 0.000 0.534) 5.041 15.154 ( 3.210 0.000 -0.787) 3.305 15.748 ( -8.660 0.000 6.803) 11.013 15.899 ( -2.491 0.000 -7.533) 7.934 16.207 ( -3.039 0.000 -0.093) 3.041 16.236 ( -0.297 0.000 -2.447) 2.465 16.923 ( 1.504 0.000 4.855) 5.083 17.018 ( 5.013 0.000 -3.396) 6.055 17.073 ( 2.634 0.000 1.913) 3.256 17.134 ( 1.890 0.000 -2.728) 3.319 17.769 ( -1.431 0.000 2.431) 2.820 17.816 ( 0.053 0.000 -1.731) 1.732 17.988 ( 1.629 0.000 7.920) 8.086 18.158 ( 3.549 0.000 -8.432) 9.149 18.562 ( 2.904 0.000 1.656) 3.343 18.589 ( 4.182 0.000 -0.703) 4.240 18.908 ( -0.139 0.000 1.138) 1.147 18.949 ( -0.285 0.000 -2.817) 2.831 19.211 ( 4.875 0.000 2.210) 5.353 19.291 ( 11.576 0.000 -6.771) 13.411 19.519 ( 0.862 0.000 0.207) 0.887 19.525 ( -0.023 0.000 -0.234) 0.235 20.204 ( 0.081 0.000 4.010) 4.011 20.286 ( -0.225 0.000 -3.683) 3.690 20.700 ( 1.807 0.000 10.527) 10.681 20.898 ( 0.264 0.000 -7.181) 7.186 21.017 ( -2.699 0.000 1.027) 2.888 21.082 ( 0.583 0.000 -4.863) 4.898 21.831 ( -0.669 0.000 1.799) 1.919 21.865 ( -0.697 0.000 -1.446) 1.605 22.381 ( -8.105 0.000 5.700) 9.908 22.475 ( -4.339 0.000 -4.218) 6.051 ======================= Grid point 156 (51/72) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 17.339 0.000 15.183) 23.047 1.630 ( 15.105 0.000 14.364) 20.844 1.930 ( 12.368 0.000 -14.170) 18.809 2.025 ( 9.102 0.000 -13.861) 16.582 2.602 ( 0.991 0.000 13.127) 13.165 2.769 ( 8.549 0.000 9.805) 13.009 2.803 ( -0.841 0.000 -3.273) 3.380 2.863 ( 3.332 0.000 4.875) 5.905 2.882 ( -1.747 0.000 4.373) 4.709 2.887 ( 9.137 0.000 5.309) 10.567 2.973 ( -3.894 0.000 -4.999) 6.337 3.106 ( -2.475 0.000 0.770) 2.592 3.210 ( -1.756 0.000 -2.931) 3.417 3.283 ( -1.216 0.000 -4.601) 4.759 3.414 ( -4.100 0.000 3.144) 5.167 3.466 ( -1.730 0.000 0.748) 1.885 3.538 ( -0.434 0.000 -0.331) 0.546 3.626 ( 5.638 0.000 -9.366) 10.932 3.789 ( -1.348 0.000 -0.926) 1.636 3.834 ( -2.681 0.000 -5.912) 6.492 3.923 ( -3.156 0.000 1.324) 3.423 4.015 ( -2.212 0.000 -8.855) 9.127 4.557 ( -5.251 0.000 6.521) 8.372 4.652 ( -6.074 0.000 -1.091) 6.171 4.747 ( 0.953 0.000 1.700) 1.949 4.835 ( 0.179 0.000 -5.523) 5.526 4.972 ( 1.477 0.000 2.835) 3.196 5.041 ( 1.527 0.000 -3.882) 4.171 5.220 ( 2.008 0.000 5.446) 5.804 5.327 ( 1.632 0.000 -3.978) 4.299 5.559 ( -0.707 0.000 3.105) 3.184 5.599 ( -0.112 0.000 -1.545) 1.550 5.823 ( 3.424 0.000 2.701) 4.361 5.870 ( 3.460 0.000 -1.614) 3.818 6.091 ( 6.906 0.000 1.712) 7.115 6.105 ( 7.249 0.000 -0.438) 7.262 6.166 ( 2.484 0.000 -0.100) 2.486 6.187 ( 1.653 0.000 -1.950) 2.556 6.455 ( -8.188 0.000 4.558) 9.371 6.533 ( -9.390 0.000 -2.961) 9.846 7.323 ( 1.438 0.000 2.142) 2.580 7.376 ( 1.133 0.000 -2.952) 3.162 7.727 ( -2.885 0.000 2.115) 3.577 7.752 ( -1.886 0.000 -0.793) 2.046 7.910 ( 0.071 0.000 3.149) 3.150 7.947 ( -0.807 0.000 -0.283) 0.855 8.308 ( -1.140 0.000 5.417) 5.535 8.390 ( -2.876 0.000 -1.573) 3.278 8.439 ( -7.714 0.000 -0.134) 7.716 8.502 ( -2.072 0.000 -4.392) 4.856 9.104 ( -3.532 0.000 1.489) 3.833 9.137 ( -4.891 0.000 -1.333) 5.069 9.540 ( -0.606 0.000 1.849) 1.946 9.571 ( -0.989 0.000 0.013) 0.989 9.646 ( -1.278 0.000 -1.563) 2.019 9.654 ( -2.873 0.000 -1.603) 3.290 10.174 ( 5.095 0.000 2.872) 5.848 10.180 ( 6.499 0.000 1.263) 6.620 10.266 ( 7.975 0.000 -0.486) 7.990 10.348 ( 6.433 0.000 -6.559) 9.187 10.924 ( 11.421 0.000 1.384) 11.504 10.947 ( 10.064 0.000 -0.765) 10.093 11.484 ( 6.141 0.000 1.721) 6.378 11.547 ( 4.769 0.000 -4.216) 6.366 12.514 ( -0.380 0.000 4.774) 4.789 12.583 ( -1.126 0.000 -1.663) 2.009 12.670 ( 2.300 0.000 3.471) 4.164 12.721 ( -0.511 0.000 -0.621) 0.804 13.001 ( -6.413 0.000 12.417) 13.975 13.236 ( -10.280 0.000 -9.837) 14.228 13.756 ( 5.385 0.000 3.473) 6.408 13.850 ( 6.773 0.000 -5.622) 8.803 14.302 ( -3.161 0.000 2.331) 3.927 14.340 ( -2.761 0.000 -1.515) 3.150 14.615 ( -5.195 0.000 4.201) 6.681 14.689 ( -5.506 0.000 -3.008) 6.274 15.129 ( -3.023 0.000 5.049) 5.885 15.216 ( 0.500 0.000 -3.258) 3.297 15.538 ( -11.625 0.000 8.491) 14.396 15.750 ( -11.495 0.000 -12.014) 16.627 16.241 ( 5.474 0.000 2.112) 5.867 16.294 ( 5.519 0.000 -2.938) 6.253 16.889 ( -3.757 0.000 8.533) 9.323 17.043 ( -1.676 0.000 -6.316) 6.535 17.171 ( 7.066 0.000 1.600) 7.245 17.234 ( 6.751 0.000 -4.832) 8.302 17.758 ( 0.826 0.000 4.229) 4.309 17.826 ( 1.323 0.000 -1.817) 2.247 18.045 ( 3.901 0.000 10.365) 11.075 18.243 ( 3.820 0.000 -8.406) 9.233 18.621 ( 3.053 0.000 1.452) 3.381 18.670 ( 4.085 0.000 -2.959) 5.044 18.901 ( -0.453 0.000 1.973) 2.024 18.946 ( 0.221 0.000 -2.275) 2.286 19.256 ( -1.442 0.000 5.908) 6.081 19.416 ( 0.919 0.000 -8.816) 8.863 19.520 ( -0.126 0.000 0.309) 0.333 19.540 ( 0.491 0.000 -3.618) 3.651 20.272 ( 6.421 0.000 2.362) 6.842 20.323 ( 4.713 0.000 -2.664) 5.413 20.730 ( 1.170 0.000 6.807) 6.907 20.872 ( -3.277 0.000 -6.302) 7.103 20.978 ( -0.964 0.000 4.542) 4.643 21.085 ( -0.245 0.000 -6.195) 6.199 21.806 ( -1.953 0.000 2.646) 3.288 21.848 ( -1.006 0.000 -1.496) 1.802 22.232 ( -6.706 0.000 7.426) 10.006 22.364 ( -6.494 0.000 -5.913) 8.783 ======================= Grid point 157 (52/72) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 14.932 0.000 10.512) 18.262 1.931 ( 15.971 0.000 8.770) 18.220 2.133 ( 6.504 0.000 -8.937) 11.053 2.182 ( 8.434 0.000 -8.198) 11.762 2.548 ( -5.044 0.000 4.673) 6.876 2.638 ( -9.852 0.000 -3.080) 10.322 2.784 ( -1.735 0.000 3.302) 3.730 2.857 ( -2.963 0.000 -2.597) 3.940 2.916 ( 0.348 0.000 -0.907) 0.972 2.935 ( 2.358 0.000 -0.678) 2.453 3.030 ( -4.146 0.000 2.334) 4.758 3.044 ( -3.638 0.000 -1.579) 3.966 3.194 ( -3.018 0.000 1.970) 3.604 3.252 ( -1.168 0.000 -1.358) 1.791 3.330 ( -5.645 0.000 2.903) 6.348 3.401 ( -5.854 0.000 -3.325) 6.732 3.608 ( 8.229 0.000 5.993) 10.180 3.672 ( 0.743 0.000 -0.131) 0.754 3.798 ( 1.720 0.000 1.273) 2.139 3.863 ( 1.174 0.000 -2.418) 2.688 3.929 ( 8.979 0.000 4.810) 10.186 4.151 ( 15.448 0.000 -13.669) 20.627 4.468 ( -2.608 0.000 1.678) 3.101 4.514 ( -6.637 0.000 -1.589) 6.825 4.744 ( -1.466 0.000 4.278) 4.522 4.829 ( -1.259 0.000 -2.728) 3.005 5.033 ( 4.904 0.000 1.335) 5.083 5.092 ( 3.709 0.000 -4.035) 5.481 5.263 ( 2.026 0.000 5.289) 5.664 5.360 ( 1.181 0.000 -3.237) 3.446 5.530 ( -1.844 0.000 3.988) 4.394 5.588 ( -1.107 0.000 -2.124) 2.395 5.844 ( -1.604 0.000 3.834) 4.156 5.911 ( 0.398 0.000 -2.056) 2.094 6.162 ( 0.511 0.000 1.622) 1.701 6.188 ( -0.532 0.000 1.007) 1.139 6.216 ( 0.899 0.000 -0.759) 1.177 6.251 ( 0.461 0.000 -2.536) 2.578 6.347 ( -0.048 0.000 -0.133) 0.142 6.360 ( -2.803 0.000 -0.603) 2.867 7.361 ( 2.251 0.000 2.001) 3.012 7.402 ( 1.364 0.000 -1.924) 2.358 7.688 ( -0.964 0.000 2.771) 2.934 7.720 ( -1.164 0.000 -0.589) 1.305 7.912 ( -0.447 0.000 2.307) 2.350 7.930 ( -1.040 0.000 0.580) 1.191 8.225 ( -6.338 0.000 0.107) 6.339 8.245 ( -8.939 0.000 -1.911) 9.141 8.390 ( 0.361 0.000 5.329) 5.342 8.498 ( -0.107 0.000 -4.815) 4.816 9.039 ( -3.127 0.000 0.172) 3.132 9.048 ( -3.836 0.000 -0.434) 3.860 9.526 ( -1.188 0.000 1.214) 1.699 9.546 ( -1.110 0.000 -0.521) 1.226 9.600 ( -2.218 0.000 0.440) 2.261 9.638 ( -0.087 0.000 -3.137) 3.138 10.272 ( 4.849 0.000 3.370) 5.905 10.300 ( 5.478 0.000 0.706) 5.523 10.402 ( 6.027 0.000 -1.132) 6.132 10.456 ( 4.642 0.000 -5.253) 7.010 11.118 ( 8.209 0.000 1.166) 8.291 11.126 ( 8.258 0.000 0.470) 8.272 11.591 ( 4.791 0.000 0.304) 4.800 11.632 ( 3.754 0.000 -3.450) 5.098 12.514 ( 0.516 0.000 3.582) 3.619 12.564 ( -0.906 0.000 -0.980) 1.334 12.670 ( -3.248 0.000 7.497) 8.171 12.730 ( 3.107 0.000 0.627) 3.170 12.963 ( 1.382 0.000 1.415) 1.978 13.052 ( -7.851 0.000 -6.126) 9.958 13.872 ( 6.290 0.000 4.910) 7.979 13.966 ( 4.894 0.000 -3.957) 6.294 14.268 ( -0.257 0.000 1.173) 1.201 14.294 ( -1.794 0.000 -1.090) 2.099 14.524 ( -4.578 0.000 3.712) 5.894 14.597 ( -4.530 0.000 -3.147) 5.516 15.051 ( -4.302 0.000 7.056) 8.263 15.170 ( -4.969 0.000 -3.821) 6.268 15.358 ( -6.385 0.000 5.338) 8.322 15.528 ( -10.717 0.000 -11.202) 15.503 16.362 ( 6.450 0.000 2.413) 6.886 16.416 ( 6.567 0.000 -2.660) 7.085 16.816 ( -3.381 0.000 8.938) 9.556 16.988 ( -3.768 0.000 -7.778) 8.642 17.304 ( 6.497 0.000 0.606) 6.525 17.360 ( 6.034 0.000 -4.584) 7.578 17.806 ( 3.958 0.000 4.715) 6.156 17.872 ( 3.439 0.000 -1.474) 3.742 18.112 ( 2.392 0.000 9.697) 9.987 18.264 ( -1.735 0.000 -5.137) 5.422 18.674 ( 2.565 0.000 1.310) 2.881 18.740 ( 3.075 0.000 -4.513) 5.461 18.905 ( 1.154 0.000 3.266) 3.464 18.963 ( 1.434 0.000 -2.384) 2.782 19.165 ( -6.572 0.000 7.133) 9.699 19.350 ( -7.104 0.000 -10.254) 12.475 19.533 ( 1.443 0.000 0.445) 1.510 19.549 ( 1.112 0.000 -1.896) 2.198 20.382 ( 3.999 0.000 2.943) 4.965 20.442 ( 6.104 0.000 -3.074) 6.834 20.750 ( 1.158 0.000 2.086) 2.386 20.799 ( -3.310 0.000 -2.360) 4.065 20.970 ( -0.156 0.000 4.043) 4.047 21.071 ( -1.227 0.000 -5.883) 6.009 21.770 ( -1.405 0.000 3.936) 4.179 21.826 ( -1.253 0.000 -1.687) 2.101 22.132 ( -3.794 0.000 5.561) 6.732 22.246 ( -5.606 0.000 -5.518) 7.866 ======================= Grid point 158 (53/72) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 4.440 0.000 6.427) 7.812 2.122 ( -3.105 0.000 1.390) 3.402 2.221 ( 10.281 0.000 3.774) 10.952 2.339 ( 6.976 0.000 -7.697) 10.388 2.475 ( 0.030 0.000 -1.011) 1.011 2.538 ( 0.656 0.000 -6.046) 6.082 2.765 ( -3.616 0.000 5.524) 6.602 2.839 ( 0.847 0.000 2.915) 3.036 2.863 ( -1.357 0.000 2.668) 2.994 2.891 ( -7.600 0.000 -5.526) 9.396 2.965 ( -1.315 0.000 2.899) 3.183 3.022 ( 2.113 0.000 -3.280) 3.902 3.107 ( -4.843 0.000 1.875) 5.193 3.185 ( -5.461 0.000 -0.807) 5.520 3.226 ( -4.188 0.000 -2.064) 4.669 3.305 ( -3.994 0.000 -5.337) 6.666 3.622 ( -1.167 0.000 3.826) 4.000 3.688 ( -1.148 0.000 0.982) 1.511 3.799 ( -0.287 0.000 -1.609) 1.635 3.878 ( -1.016 0.000 -5.426) 5.521 4.281 ( 18.070 0.000 8.122) 19.811 4.374 ( 4.300 0.000 0.633) 4.346 4.455 ( 4.461 0.000 1.673) 4.764 4.540 ( 7.286 0.000 -6.519) 9.777 4.708 ( -0.817 0.000 6.105) 6.160 4.807 ( 0.324 0.000 -2.414) 2.436 5.138 ( 5.389 0.000 -0.080) 5.390 5.171 ( 3.860 0.000 -2.477) 4.586 5.281 ( -0.460 0.000 4.792) 4.814 5.340 ( -3.861 0.000 0.412) 3.883 5.511 ( 0.414 0.000 1.270) 1.336 5.564 ( -0.891 0.000 -3.258) 3.378 5.752 ( -6.966 0.000 4.171) 8.119 5.844 ( -7.867 0.000 -3.711) 8.698 6.122 ( -1.167 0.000 1.411) 1.831 6.148 ( -3.231 0.000 -1.274) 3.473 6.209 ( 1.177 0.000 -0.360) 1.230 6.225 ( 0.395 0.000 -2.153) 2.188 6.417 ( 3.897 0.000 0.597) 3.943 6.425 ( 3.472 0.000 -0.276) 3.483 7.397 ( 1.339 0.000 1.624) 2.104 7.418 ( 0.173 0.000 -0.272) 0.322 7.692 ( 1.213 0.000 2.416) 2.703 7.713 ( 0.271 0.000 0.537) 0.601 7.891 ( -0.961 0.000 1.423) 1.717 7.913 ( -1.011 0.000 -0.076) 1.014 8.096 ( -5.856 0.000 -0.470) 5.875 8.110 ( -5.174 0.000 -1.489) 5.384 8.411 ( 1.655 0.000 3.852) 4.192 8.483 ( -1.415 0.000 -2.946) 3.268 8.988 ( -1.832 0.000 0.231) 1.846 8.995 ( -1.942 0.000 -0.388) 1.981 9.500 ( -0.890 0.000 1.278) 1.557 9.526 ( -1.452 0.000 -0.850) 1.683 9.584 ( 0.679 0.000 0.569) 0.886 9.632 ( -0.746 0.000 -3.617) 3.693 10.352 ( 3.333 0.000 3.066) 4.529 10.378 ( 2.473 0.000 1.022) 2.676 10.492 ( 3.368 0.000 -2.100) 3.969 10.520 ( 1.971 0.000 -4.101) 4.550 11.235 ( 4.142 0.000 1.824) 4.526 11.244 ( 3.911 0.000 1.087) 4.059 11.661 ( 2.485 0.000 -0.822) 2.618 11.682 ( 1.445 0.000 -2.781) 3.135 12.531 ( 0.846 0.000 2.766) 2.892 12.556 ( 0.175 0.000 1.021) 1.036 12.623 ( -1.005 0.000 5.820) 5.907 12.741 ( -3.104 0.000 -4.480) 5.450 12.985 ( 1.295 0.000 0.382) 1.350 13.010 ( 2.355 0.000 -1.902) 3.027 13.980 ( 4.670 0.000 3.939) 6.109 14.030 ( 1.861 0.000 -0.598) 1.955 14.278 ( 0.374 0.000 1.011) 1.078 14.291 ( 2.449 0.000 -0.594) 2.520 14.433 ( -4.740 0.000 3.384) 5.824 14.503 ( -5.468 0.000 -2.970) 6.223 14.996 ( -0.977 0.000 5.317) 5.406 15.069 ( -4.419 0.000 -0.675) 4.470 15.280 ( -2.362 0.000 -0.554) 2.426 15.358 ( -6.885 0.000 -8.567) 10.991 16.472 ( 4.806 0.000 3.239) 5.796 16.520 ( 3.670 0.000 -0.738) 3.744 16.776 ( -0.324 0.000 5.150) 5.160 16.904 ( -4.809 0.000 -6.667) 8.220 17.413 ( 4.702 0.000 -0.325) 4.713 17.452 ( 3.288 0.000 -3.926) 5.121 17.896 ( 4.896 0.000 3.994) 6.318 17.943 ( 3.312 0.000 -0.582) 3.363 18.126 ( -0.512 0.000 5.664) 5.687 18.199 ( -4.270 0.000 -1.840) 4.649 18.727 ( 2.992 0.000 2.274) 3.758 18.783 ( 1.242 0.000 -2.327) 2.638 18.930 ( 1.031 0.000 3.408) 3.561 18.991 ( 1.040 0.000 -2.462) 2.673 19.062 ( -2.956 0.000 3.671) 4.714 19.192 ( -8.217 0.000 -7.894) 11.395 19.565 ( 1.512 0.000 0.484) 1.588 19.574 ( 1.094 0.000 -0.461) 1.187 20.430 ( 1.656 0.000 1.589) 2.295 20.501 ( -0.291 0.000 -4.962) 4.970 20.765 ( 1.034 0.000 1.733) 2.018 20.788 ( 1.227 0.000 -0.520) 1.333 20.971 ( 0.434 0.000 2.717) 2.752 21.038 ( -2.199 0.000 -3.789) 4.381 21.760 ( 0.389 0.000 3.362) 3.384 21.801 ( -1.279 0.000 -0.635) 1.428 22.085 ( -1.104 0.000 2.711) 2.928 22.152 ( -4.144 0.000 -3.672) 5.536 ======================= Grid point 159 (54/72) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -0.985 0.000 3.299) 3.443 2.062 ( 0.985 0.000 3.299) 3.443 2.363 ( -4.240 0.000 -3.360) 5.409 2.363 ( 4.240 0.000 -3.360) 5.409 2.590 ( -10.099 0.000 1.799) 10.258 2.590 ( 10.099 0.000 1.799) 10.258 2.681 ( -10.826 0.000 -4.802) 11.843 2.681 ( 10.826 0.000 -4.802) 11.843 2.897 ( -1.685 0.000 5.696) 5.940 2.897 ( 1.685 0.000 5.696) 5.940 2.989 ( -5.090 0.000 2.684) 5.754 2.989 ( 5.090 0.000 2.684) 5.754 3.089 ( -3.092 0.000 -1.770) 3.563 3.089 ( 3.092 0.000 -1.770) 3.563 3.222 ( -3.734 0.000 -6.013) 7.078 3.222 ( 3.734 0.000 -6.013) 7.078 3.640 ( -2.694 0.000 4.700) 5.418 3.640 ( 2.694 0.000 4.700) 5.418 3.829 ( -3.024 0.000 -7.364) 7.960 3.829 ( 3.024 0.000 -7.364) 7.960 4.413 ( -0.532 0.000 3.293) 3.336 4.413 ( 0.532 0.000 3.293) 3.336 4.576 ( -2.482 0.000 -0.945) 2.656 4.576 ( 2.482 0.000 -0.946) 2.656 4.797 ( -6.090 0.000 5.033) 7.901 4.797 ( 6.090 0.000 5.033) 7.901 5.205 ( -0.962 0.000 -1.643) 1.904 5.205 ( 0.962 0.000 -1.643) 1.904 5.267 ( -0.964 0.000 3.679) 3.804 5.267 ( 0.964 0.000 3.679) 3.804 5.546 ( -2.290 0.000 -2.526) 3.409 5.546 ( 2.290 0.000 -2.526) 3.409 5.695 ( -4.103 0.000 -1.450) 4.351 5.695 ( 4.103 0.000 -1.450) 4.351 6.123 ( -0.571 0.000 0.598) 0.827 6.123 ( 0.571 0.000 0.598) 0.827 6.226 ( -0.438 0.000 -1.408) 1.475 6.226 ( 0.438 0.000 -1.408) 1.475 6.456 ( -0.233 0.000 0.236) 0.332 6.456 ( 0.233 0.000 0.236) 0.332 7.413 ( -0.517 0.000 0.975) 1.103 7.413 ( 0.517 0.000 0.975) 1.103 7.714 ( -0.575 0.000 2.199) 2.273 7.714 ( 0.575 0.000 2.199) 2.273 7.891 ( -0.885 0.000 -0.632) 1.087 7.891 ( 0.885 0.000 -0.632) 1.087 8.047 ( -0.849 0.000 -0.557) 1.015 8.047 ( 0.849 0.000 -0.557) 1.015 8.448 ( -2.053 0.000 0.473) 2.107 8.448 ( 2.053 0.000 0.473) 2.107 8.973 ( -0.229 0.000 -0.062) 0.238 8.973 ( 0.229 0.000 -0.062) 0.238 9.500 ( -0.896 0.000 0.879) 1.256 9.500 ( 0.896 0.000 0.879) 1.256 9.609 ( -1.510 0.000 -2.324) 2.772 9.609 ( 1.510 0.000 -2.324) 2.772 10.393 ( -0.826 0.000 2.173) 2.325 10.393 ( 0.826 0.000 2.173) 2.325 10.531 ( -0.771 0.000 -3.205) 3.296 10.531 ( 0.771 0.000 -3.205) 3.296 11.278 ( -0.299 0.000 1.733) 1.759 11.278 ( 0.299 0.000 1.733) 1.759 11.690 ( -0.588 0.000 -1.897) 1.986 11.690 ( 0.588 0.000 -1.897) 1.986 12.547 ( -1.005 0.000 3.966) 4.091 12.547 ( 1.005 0.000 3.966) 4.091 12.658 ( -4.161 0.000 -2.159) 4.688 12.658 ( 4.161 0.000 -2.159) 4.688 13.025 ( -1.171 0.000 -0.413) 1.242 13.025 ( 1.171 0.000 -0.413) 1.242 14.038 ( -1.227 0.000 1.821) 2.195 14.038 ( 1.227 0.000 1.821) 2.195 14.311 ( -2.255 0.000 2.292) 3.215 14.311 ( 2.255 0.000 2.292) 3.215 14.402 ( -3.752 0.000 -1.496) 4.039 14.402 ( 3.752 0.000 -1.496) 4.039 15.010 ( -2.021 0.000 2.488) 3.206 15.010 ( 2.021 0.000 2.488) 3.206 15.272 ( -1.933 0.000 -5.152) 5.502 15.272 ( 1.933 0.000 -5.152) 5.502 16.537 ( -1.738 0.000 3.044) 3.505 16.537 ( 1.738 0.000 3.044) 3.505 16.815 ( -4.019 0.000 -2.488) 4.727 16.815 ( 4.019 0.000 -2.488) 4.727 17.473 ( -1.240 0.000 -2.109) 2.447 17.473 ( 1.240 0.000 -2.109) 2.447 17.966 ( -1.607 0.000 1.714) 2.349 17.966 ( 1.607 0.000 1.714) 2.349 18.131 ( -2.066 0.000 1.612) 2.620 18.131 ( 2.066 0.000 1.612) 2.620 18.776 ( -1.837 0.000 1.134) 2.159 18.776 ( 1.837 0.000 1.134) 2.159 18.968 ( -2.970 0.000 1.242) 3.220 18.968 ( 2.971 0.000 1.242) 3.220 19.074 ( -3.602 0.000 -3.452) 4.989 19.074 ( 3.602 0.000 -3.452) 4.989 19.583 ( -0.260 0.000 0.212) 0.335 19.583 ( 0.260 0.000 0.212) 0.335 20.466 ( -2.267 0.000 -2.486) 3.364 20.466 ( 2.267 0.000 -2.486) 3.364 20.793 ( -0.964 0.000 1.187) 1.530 20.793 ( 0.964 0.000 1.187) 1.530 20.994 ( -2.015 0.000 -0.572) 2.094 20.994 ( 2.015 0.000 -0.572) 2.094 21.777 ( -1.197 0.000 1.422) 1.859 21.777 ( 1.197 0.000 1.422) 1.859 22.093 ( -1.892 0.000 -0.690) 2.014 22.093 ( 1.892 0.000 -0.690) 2.014 ======================= Grid point 165 (55/72) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 0.000 13.842 21.755) 25.785 1.343 ( 0.000 12.673 24.810) 27.859 1.686 ( 0.000 9.424 -20.251) 22.337 1.833 ( 0.000 9.436 -19.738) 21.877 2.336 ( 0.000 10.483 34.679) 36.229 2.573 ( 0.000 -8.772 12.951) 15.642 2.587 ( 0.000 -5.525 10.618) 11.969 2.689 ( 0.000 -6.624 -2.709) 7.156 2.828 ( 0.000 -4.635 -9.987) 11.010 3.026 ( 0.000 0.735 3.591) 3.665 3.067 ( 0.000 -2.133 -3.019) 3.696 3.155 ( 0.000 0.785 1.211) 1.443 3.252 ( 0.000 1.986 -8.579) 8.805 3.282 ( 0.000 10.437 -23.725) 25.919 3.473 ( 0.000 1.849 3.288) 3.773 3.509 ( 0.000 -1.778 1.297) 2.201 3.554 ( 0.000 -0.726 1.798) 1.939 3.640 ( 0.000 -0.339 -4.471) 4.483 3.852 ( 0.000 -3.667 0.579) 3.712 3.917 ( 0.000 0.165 -5.262) 5.265 4.020 ( 0.000 -3.077 5.906) 6.659 4.134 ( 0.000 -2.977 -4.443) 5.348 4.488 ( 0.000 -10.398 3.607) 11.006 4.612 ( 0.000 -10.083 -6.768) 12.144 4.809 ( 0.000 2.627 6.075) 6.619 4.889 ( 0.000 6.270 -4.053) 7.466 4.998 ( 0.000 0.414 0.496) 0.646 5.109 ( 0.000 4.108 -7.249) 8.333 5.274 ( 0.000 7.405 7.554) 10.579 5.406 ( 0.000 8.585 -5.254) 10.065 5.537 ( 0.000 2.652 1.160) 2.894 5.553 ( 0.000 -0.888 -0.565) 1.052 5.647 ( 0.000 -1.612 4.968) 5.223 5.757 ( 0.000 -1.017 -5.012) 5.115 5.902 ( 0.000 -2.898 3.311) 4.400 5.953 ( 0.000 0.166 -1.699) 1.707 6.126 ( 0.000 1.829 2.100) 2.785 6.165 ( 0.000 3.274 -1.308) 3.526 6.595 ( 0.000 -4.647 4.596) 6.536 6.652 ( 0.000 -5.056 -1.030) 5.160 7.340 ( 0.000 2.809 1.594) 3.230 7.379 ( 0.000 2.269 -2.115) 3.102 7.787 ( 0.000 -0.491 0.761) 0.906 7.800 ( 0.000 -0.169 -0.888) 0.904 7.929 ( 0.000 -2.581 1.334) 2.905 7.960 ( 0.000 -4.007 -1.115) 4.159 8.258 ( 0.000 -2.319 3.900) 4.538 8.308 ( 0.000 -2.148 -0.957) 2.352 8.646 ( 0.000 -1.196 4.162) 4.331 8.758 ( 0.000 3.413 -6.352) 7.211 9.089 ( 0.000 -6.145 2.047) 6.477 9.129 ( 0.000 -4.588 -1.722) 4.901 9.575 ( 0.000 0.489 3.134) 3.171 9.630 ( 0.000 0.141 -1.650) 1.656 9.682 ( 0.000 -0.058 3.006) 3.006 9.740 ( 0.000 -0.037 -2.178) 2.179 9.985 ( 0.000 -0.335 2.230) 2.255 10.053 ( 0.000 0.772 -3.691) 3.771 10.120 ( 0.000 0.942 0.672) 1.157 10.166 ( 0.000 0.430 -3.343) 3.370 10.697 ( 0.000 7.607 1.918) 7.845 10.746 ( 0.000 6.205 -2.466) 6.677 11.280 ( 0.000 -4.539 4.000) 6.050 11.372 ( 0.000 -5.668 -4.815) 7.437 12.490 ( 0.000 -4.008 6.553) 7.681 12.573 ( 0.000 -4.840 -0.562) 4.872 12.631 ( 0.000 1.156 1.184) 1.655 12.673 ( 0.000 0.780 -2.060) 2.203 13.310 ( 0.000 -6.688 7.204) 9.830 13.362 ( 0.000 -2.386 -0.015) 2.386 13.638 ( 0.000 1.269 -0.632) 1.418 13.732 ( 0.000 1.304 -7.977) 8.083 14.448 ( 0.000 4.399 4.468) 6.270 14.549 ( 0.000 9.590 -5.651) 11.131 14.873 ( 0.000 -2.826 5.636) 6.304 14.932 ( 0.000 -0.306 -1.630) 1.659 14.986 ( 0.000 2.239 5.359) 5.808 15.114 ( 0.000 -0.283 -5.384) 5.391 15.826 ( 0.000 -0.224 2.652) 2.661 15.889 ( 0.000 -1.425 -3.445) 3.728 16.233 ( 0.000 -0.866 1.431) 1.673 16.299 ( 0.000 1.325 -4.592) 4.780 16.804 ( 0.000 -9.875 2.494) 10.185 16.830 ( 0.000 -7.605 -0.163) 7.607 17.096 ( 0.000 3.627 3.066) 4.749 17.146 ( 0.000 1.699 -1.550) 2.300 17.666 ( 0.000 -7.463 1.475) 7.607 17.694 ( 0.000 -7.621 -1.426) 7.754 18.076 ( 0.000 4.328 6.287) 7.633 18.195 ( 0.000 3.682 -5.486) 6.607 18.519 ( 0.000 0.484 3.130) 3.167 18.585 ( 0.000 2.972 -3.103) 4.297 18.987 ( 0.000 3.360 0.822) 3.459 19.040 ( 0.000 8.653 -4.393) 9.704 19.136 ( 0.000 0.621 1.020) 1.194 19.151 ( 0.000 0.127 -0.454) 0.471 19.572 ( 0.000 5.572 1.162) 5.692 19.618 ( 0.000 11.264 -4.048) 11.969 20.207 ( 0.000 -2.168 4.676) 5.154 20.289 ( 0.000 -0.508 -3.097) 3.139 20.723 ( 0.000 4.555 9.367) 10.416 20.906 ( 0.000 1.720 -6.198) 6.433 21.045 ( 0.000 -1.105 -1.727) 2.050 21.069 ( 0.000 0.153 -3.918) 3.921 21.822 ( 0.000 -1.406 1.846) 2.321 21.853 ( 0.000 -1.854 -1.039) 2.126 22.430 ( 0.000 -4.986 2.590) 5.619 22.468 ( 0.000 -3.590 -1.284) 3.812 ======================= Grid point 166 (56/72) ======================= q-point: ( 0.10 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 9.267 10.638 20.309) 24.728 1.467 ( 10.699 10.665 19.659) 24.793 1.774 ( 8.319 7.435 -17.898) 21.091 1.921 ( 8.049 8.269 -17.834) 21.242 2.445 ( 9.461 3.387 24.715) 26.680 2.592 ( 2.447 -6.891 13.839) 15.652 2.639 ( 5.108 -5.642 9.788) 12.398 2.718 ( 3.692 -3.550 2.202) 5.576 2.835 ( 0.738 -4.087 -9.781) 10.626 2.997 ( -3.096 0.364 2.793) 4.185 3.047 ( -2.553 -0.222 -2.104) 3.316 3.138 ( -1.051 1.185 0.141) 1.590 3.244 ( -0.951 0.462 -4.491) 4.614 3.310 ( 2.154 7.064 -18.299) 19.733 3.455 ( -1.705 -0.014 4.140) 4.477 3.498 ( -1.383 0.847 -1.029) 1.921 3.559 ( 1.814 1.195 -1.271) 2.517 3.616 ( -1.760 0.877 -4.754) 5.145 3.819 ( -3.278 -2.544 1.019) 4.272 3.898 ( -2.928 -0.191 -6.483) 7.116 3.990 ( -2.655 -1.493 4.676) 5.581 4.093 ( -3.452 -1.795 -4.875) 6.238 4.505 ( 1.351 -9.449 3.886) 10.305 4.624 ( 1.630 -9.881 -6.427) 11.899 4.759 ( -3.924 2.124 5.910) 7.405 4.876 ( -3.492 4.811 -6.182) 8.576 4.989 ( 0.316 1.871 3.808) 4.254 5.108 ( -0.282 3.644 -6.209) 7.205 5.278 ( 1.043 7.871 6.335) 10.157 5.380 ( -0.929 6.797 -2.952) 7.468 5.554 ( 1.008 0.543 2.068) 2.364 5.598 ( 2.187 1.873 -2.458) 3.785 5.715 ( 5.987 -1.183 3.092) 6.841 5.791 ( 3.595 -0.832 -3.477) 5.070 5.943 ( 4.136 -3.184 2.560) 5.814 5.986 ( 3.265 -0.597 -1.587) 3.679 6.141 ( 1.238 1.302 1.778) 2.527 6.178 ( 1.180 2.619 -1.413) 3.202 6.544 ( -5.208 -4.541 4.589) 8.295 6.606 ( -4.715 -5.875 -1.572) 7.695 7.334 ( -0.237 2.480 2.242) 3.352 7.386 ( 0.593 2.296 -2.709) 3.601 7.769 ( -2.010 -1.126 1.034) 2.525 7.785 ( -1.389 0.025 -1.018) 1.722 7.913 ( -0.927 -1.320 2.485) 2.963 7.953 ( -0.365 -1.664 -1.062) 2.007 8.262 ( 0.402 -3.407 4.830) 5.925 8.339 ( 2.253 -3.194 -2.615) 4.703 8.569 ( -6.548 0.218 3.954) 7.652 8.674 ( -7.069 3.806 -5.748) 9.874 9.077 ( -2.216 -7.256 2.932) 8.134 9.130 ( -1.414 -6.346 -2.172) 6.855 9.556 ( -0.528 0.771 3.687) 3.803 9.619 ( -0.294 2.362 -1.545) 2.837 9.682 ( -1.361 0.022 0.290) 1.392 9.719 ( -1.180 1.179 -2.213) 2.771 10.045 ( 5.242 -1.236 1.934) 5.723 10.096 ( 3.725 -0.017 -1.770) 4.124 10.158 ( 4.496 2.074 0.683) 4.998 10.223 ( 5.136 -0.212 -4.500) 6.831 10.785 ( 8.408 6.760 1.582) 10.904 10.823 ( 7.422 5.703 -1.882) 9.547 11.338 ( 5.472 -3.782 2.952) 7.278 11.416 ( 4.263 -4.901 -4.466) 7.883 12.487 ( -0.200 -3.433 6.051) 6.960 12.559 ( -1.048 -4.235 -0.169) 4.366 12.647 ( 1.410 0.889 1.622) 2.325 12.693 ( 1.572 -0.261 -2.158) 2.682 13.204 ( -7.733 1.086 11.893) 14.228 13.384 ( -1.670 -1.946 -5.564) 6.127 13.635 ( 0.759 -1.920 0.547) 2.136 13.725 ( 0.495 -1.684 -7.128) 7.342 14.419 ( -3.017 4.116 3.576) 6.232 14.486 ( -5.581 8.252 -2.968) 10.395 14.724 ( -7.239 -1.251 5.926) 9.438 14.814 ( -7.579 -0.253 -2.915) 8.125 15.135 ( 5.000 0.120 1.845) 5.331 15.168 ( 3.816 0.967 -1.411) 4.182 15.751 ( -8.105 0.232 4.997) 9.524 15.875 ( -3.299 -2.453 -6.960) 8.084 16.204 ( -0.600 0.685 1.740) 1.964 16.261 ( -1.248 2.050 -3.605) 4.331 16.829 ( 1.520 -8.723 3.971) 9.704 16.886 ( 3.909 -9.522 -1.450) 10.395 17.147 ( 3.888 4.072 0.782) 5.684 17.178 ( 4.067 3.723 -1.647) 5.754 17.685 ( 1.788 -6.173 2.254) 6.810 17.730 ( 3.070 -6.569 -2.169) 7.568 18.054 ( -1.005 4.638 7.135) 8.569 18.199 ( 1.053 2.717 -6.978) 7.562 18.560 ( 3.343 -0.370 2.970) 4.487 18.619 ( 2.909 2.289 -2.626) 4.538 18.948 ( -3.036 2.530 0.839) 4.040 18.973 ( -2.535 3.247 -1.540) 4.398 19.186 ( 2.422 -2.219 2.208) 3.958 19.245 ( 4.721 -3.269 -3.695) 6.828 19.597 ( 2.322 7.410 1.800) 7.971 19.665 ( 4.202 12.612 -5.711) 14.469 20.202 ( 0.545 -1.066 4.145) 4.315 20.286 ( 0.164 -0.252 -3.762) 3.774 20.735 ( 0.981 3.693 8.752) 9.549 20.911 ( 0.092 1.523 -6.714) 6.885 21.013 ( -2.408 -0.486 0.979) 2.644 21.079 ( 0.405 -0.404 -4.949) 4.982 21.817 ( -0.632 -1.417 1.813) 2.387 21.845 ( -0.785 -1.969 -0.763) 2.253 22.352 ( -6.343 -2.554 5.302) 8.653 22.440 ( -3.636 -3.416 -3.701) 6.212 ======================= Grid point 167 (57/72) ======================= q-point: ( 0.20 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 15.584 5.768 14.789) 22.245 1.701 ( 13.276 7.394 13.053) 20.033 1.961 ( 10.245 3.514 -12.136) 16.266 2.086 ( 8.254 6.107 -13.576) 17.022 2.541 ( 0.351 -6.792 11.822) 13.638 2.659 ( 1.385 -10.501 3.566) 11.177 2.736 ( 5.189 -6.972 -1.213) 8.775 2.838 ( 1.050 -4.139 -2.681) 5.042 2.901 ( -2.391 0.898 2.805) 3.794 2.928 ( 5.017 2.516 5.279) 7.705 2.982 ( 0.276 4.456 3.593) 5.731 3.117 ( -1.722 0.950 -0.156) 1.973 3.233 ( 0.490 2.423 -1.595) 2.942 3.305 ( -2.861 1.512 -2.694) 4.210 3.396 ( -3.516 -1.421 5.406) 6.604 3.484 ( -0.204 1.896 -0.497) 1.970 3.575 ( -0.632 2.748 -0.731) 2.913 3.665 ( 4.568 2.973 -6.182) 8.241 3.756 ( -1.584 -1.132 -1.653) 2.554 3.819 ( -2.727 -0.287 -7.418) 7.909 3.936 ( -2.366 0.278 3.206) 3.994 4.050 ( 0.874 3.150 -8.919) 9.499 4.519 ( -0.510 -4.333 5.550) 7.060 4.637 ( -3.046 -4.111 -3.001) 5.932 4.718 ( 1.310 -1.937 1.209) 2.633 4.792 ( -2.755 0.143 -3.346) 4.336 4.988 ( -1.043 2.076 4.302) 4.889 5.098 ( -0.569 2.913 -5.529) 6.275 5.326 ( 3.468 9.070 3.903) 10.466 5.387 ( 1.414 6.384 -1.285) 6.664 5.559 ( -0.507 0.390 2.758) 2.832 5.610 ( -0.473 1.546 -2.613) 3.073 5.817 ( 3.568 -0.527 2.442) 4.355 5.867 ( 3.301 -0.709 -1.987) 3.918 6.053 ( 6.693 -3.893 1.380) 7.865 6.075 ( 5.733 -2.589 -1.100) 6.386 6.164 ( 1.306 0.164 1.658) 2.117 6.206 ( 1.999 1.255 -1.776) 2.954 6.411 ( -8.000 -4.386 3.742) 9.861 6.476 ( -8.510 -5.629 -2.374) 10.476 7.342 ( 1.206 2.042 2.854) 3.711 7.403 ( 1.307 2.508 -2.952) 4.088 7.720 ( -2.507 -0.834 2.205) 3.441 7.752 ( -1.833 -0.174 -1.230) 2.215 7.908 ( 0.130 -0.037 3.002) 3.005 7.949 ( -0.363 0.292 -0.828) 0.950 8.257 ( -1.735 -4.767 4.330) 6.670 8.342 ( -3.526 -5.138 -3.825) 7.311 8.452 ( -4.545 2.775 4.131) 6.740 8.550 ( -4.329 3.730 -4.960) 7.566 9.009 ( -4.070 -8.512 2.715) 9.817 9.061 ( -4.930 -7.392 -2.191) 9.151 9.561 ( 0.407 2.019 2.748) 3.434 9.606 ( -1.113 3.418 -0.623) 3.649 9.663 ( -0.606 1.633 -0.822) 1.926 9.696 ( -1.014 3.333 -2.820) 4.482 10.157 ( 6.006 -1.049 2.485) 6.584 10.190 ( 5.920 -0.017 0.641) 5.955 10.269 ( 6.436 0.263 -0.672) 6.476 10.334 ( 5.881 -1.462 -5.243) 8.013 10.979 ( 10.829 5.602 0.823) 12.220 10.994 ( 9.561 4.915 -0.492) 10.762 11.461 ( 6.694 -2.481 1.297) 7.256 11.516 ( 5.563 -3.349 -3.809) 7.528 12.487 ( 0.247 -2.404 5.059) 5.607 12.542 ( -0.646 -3.454 0.499) 3.549 12.680 ( 2.038 0.478 1.730) 2.716 12.708 ( -0.442 -1.148 -0.066) 1.232 13.069 ( -5.224 6.584 10.315) 13.306 13.270 ( -8.886 3.409 -8.443) 12.723 13.689 ( 4.506 -6.162 2.982) 8.195 13.780 ( 4.755 -6.710 -5.582) 9.940 14.347 ( -3.532 3.882 2.939) 6.016 14.394 ( -3.717 4.796 -1.637) 6.285 14.618 ( -4.683 0.340 3.622) 5.930 14.688 ( -5.368 -0.132 -3.135) 6.218 15.143 ( -2.429 1.487 5.183) 5.914 15.222 ( 0.622 0.580 -2.147) 2.309 15.547 ( -11.651 0.941 6.189) 13.226 15.726 ( -10.994 -2.418 -10.882) 15.657 16.255 ( 5.276 1.551 2.076) 5.878 16.306 ( 5.212 1.306 -2.722) 6.023 16.828 ( -1.533 -5.653 7.136) 9.232 16.944 ( 1.701 -7.973 -4.128) 9.138 17.235 ( 5.491 4.219 0.365) 6.934 17.277 ( 5.317 4.121 -3.727) 7.691 17.731 ( 2.967 -3.421 3.329) 5.621 17.784 ( 2.650 -3.780 -1.434) 4.834 18.069 ( 2.363 3.024 8.142) 9.001 18.239 ( 2.366 -0.131 -7.903) 8.251 18.623 ( 3.092 -0.917 2.357) 3.994 18.674 ( 2.577 0.103 -2.575) 3.644 18.908 ( -1.103 0.820 1.556) 2.076 18.942 ( -0.857 0.305 -1.460) 1.720 19.195 ( -1.652 -4.600 3.431) 5.972 19.275 ( -1.052 -8.103 -4.105) 9.144 19.629 ( 0.584 9.502 2.732) 9.905 19.721 ( 0.677 12.056 -6.870) 13.893 20.258 ( 4.945 -1.802 3.171) 6.145 20.327 ( 4.423 -0.104 -3.749) 5.799 20.750 ( 0.495 2.244 6.205) 6.616 20.883 ( -3.255 1.312 -5.951) 6.909 20.980 ( -0.690 0.070 3.761) 3.825 21.078 ( -0.566 -0.909 -5.871) 5.968 21.795 ( -1.520 -1.030 2.672) 3.242 21.831 ( -0.577 -1.634 -0.757) 1.891 22.231 ( -5.818 -0.044 5.985) 8.347 22.343 ( -5.805 -2.016 -5.237) 8.074 ======================= Grid point 168 (58/72) ======================= q-point: ( 0.30 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 14.649 2.970 9.312) 17.610 1.964 ( 13.812 3.919 8.059) 16.464 2.134 ( 6.784 0.394 -6.468) 9.381 2.222 ( 5.818 3.620 -8.226) 10.706 2.514 ( -2.544 -3.445 6.036) 7.401 2.615 ( -5.153 -3.438 -3.107) 6.930 2.749 ( -4.873 -3.917 4.883) 7.933 2.818 ( 2.228 -6.596 0.470) 6.978 2.848 ( -4.994 -1.494 -4.682) 7.007 2.911 ( 2.111 -0.488 -4.082) 4.621 3.036 ( -3.123 -0.060 2.201) 3.821 3.070 ( -2.464 1.924 -1.990) 3.706 3.218 ( -4.508 0.288 -0.146) 4.519 3.245 ( -3.046 -0.143 -2.554) 3.978 3.352 ( -3.035 2.781 5.468) 6.844 3.447 ( -4.157 3.702 -3.142) 6.392 3.624 ( 1.680 0.102 4.908) 5.189 3.692 ( 1.228 1.345 -0.120) 1.826 3.761 ( 4.557 -1.819 2.410) 5.466 3.848 ( 1.651 -0.886 -3.387) 3.871 3.961 ( 8.767 3.429 6.822) 11.626 4.197 ( 13.077 4.723 -13.367) 19.287 4.489 ( -1.181 1.647 3.009) 3.628 4.542 ( -5.222 2.162 -1.090) 5.756 4.720 ( -0.415 -1.200 3.695) 3.907 4.830 ( 3.107 -1.883 -5.813) 6.854 4.971 ( 0.620 -2.614 5.569) 6.183 5.090 ( -0.049 -0.299 -5.719) 5.727 5.380 ( 1.375 9.132 2.917) 9.685 5.419 ( 1.539 5.336 -0.096) 5.554 5.537 ( -1.397 1.041 3.200) 3.643 5.596 ( -0.814 1.407 -2.793) 3.232 5.838 ( -1.415 -0.422 3.391) 3.698 5.899 ( -0.288 -1.270 -1.943) 2.339 6.129 ( 0.547 -2.879 0.877) 3.059 6.150 ( 1.156 -3.505 -0.791) 3.775 6.205 ( -0.011 -0.939 1.792) 2.023 6.252 ( -0.728 -1.123 -1.611) 2.094 6.310 ( 1.876 -3.204 -0.203) 3.719 6.331 ( -2.357 -3.032 -1.199) 4.023 7.378 ( 2.347 2.016 2.925) 4.258 7.433 ( 1.579 2.934 -2.305) 4.051 7.688 ( -0.663 -0.252 2.678) 2.770 7.725 ( -0.828 0.271 -1.047) 1.363 7.902 ( -1.086 -0.893 2.611) 2.966 7.929 ( -1.698 0.143 0.004) 1.704 8.177 ( -5.959 -4.611 1.000) 7.601 8.217 ( -8.057 -3.299 -2.633) 9.096 8.409 ( -0.211 2.312 5.177) 5.674 8.513 ( -0.808 1.772 -4.694) 5.082 8.942 ( -2.703 -8.534 1.380) 9.058 8.974 ( -3.772 -7.295 -1.497) 8.348 9.564 ( 0.186 2.925 1.204) 3.168 9.585 ( -1.191 4.695 0.029) 4.844 9.645 ( -1.001 3.599 0.048) 3.736 9.685 ( -0.357 4.439 -3.060) 5.403 10.264 ( 5.053 -0.840 3.499) 6.203 10.301 ( 5.197 -0.396 0.914) 5.292 10.387 ( 5.468 -1.381 -1.855) 5.937 10.434 ( 4.353 -2.278 -4.883) 6.927 11.160 ( 7.406 4.261 0.994) 8.602 11.166 ( 7.964 4.346 0.427) 9.083 11.574 ( 4.888 -1.886 0.137) 5.241 11.611 ( 4.080 -2.292 -3.274) 5.711 12.499 ( 1.085 -1.383 3.786) 4.175 12.536 ( 0.095 -2.251 0.991) 2.461 12.669 ( -2.777 -0.186 4.858) 5.599 12.728 ( 2.091 -0.543 -0.606) 2.244 13.026 ( 0.444 6.442 2.054) 6.777 13.107 ( -6.545 5.599 -5.178) 10.050 13.787 ( 5.102 -7.992 4.357) 10.435 13.870 ( 3.824 -9.023 -3.419) 10.379 14.309 ( -0.400 3.425 1.687) 3.838 14.342 ( -1.535 3.961 -1.303) 4.443 14.535 ( -4.012 1.140 3.016) 5.147 14.600 ( -4.226 0.226 -2.997) 5.186 15.074 ( -4.021 2.302 7.069) 8.453 15.186 ( -4.297 1.431 -2.801) 5.325 15.358 ( -7.200 0.037 3.996) 8.235 15.512 ( -10.448 -1.717 -10.610) 14.989 16.371 ( 6.277 1.015 2.534) 6.845 16.425 ( 6.514 0.900 -2.434) 7.012 16.788 ( -2.148 -2.591 8.213) 8.875 16.942 ( -1.804 -4.505 -6.598) 8.191 17.343 ( 5.417 3.714 -0.484) 6.586 17.375 ( 4.930 1.906 -3.514) 6.347 17.798 ( 3.950 -1.823 3.643) 5.674 17.842 ( 3.314 -3.528 -0.267) 4.847 18.119 ( 2.384 2.247 7.238) 7.945 18.255 ( -1.066 -0.481 -5.430) 5.554 18.678 ( 2.699 -1.046 1.725) 3.370 18.726 ( 3.292 -2.451 -2.455) 4.782 18.900 ( 0.162 -0.083 1.864) 1.873 18.939 ( 0.356 -1.188 -1.354) 1.837 19.127 ( -4.986 -2.637 3.492) 6.634 19.219 ( -4.689 -8.321 -4.959) 10.762 19.637 ( 0.797 9.256 2.341) 9.581 19.709 ( -0.976 11.668 -5.008) 12.735 20.347 ( 3.335 -3.771 3.656) 6.222 20.421 ( 4.110 -2.562 -3.786) 6.147 20.760 ( 0.869 1.193 2.466) 2.874 20.816 ( -2.835 1.876 -2.551) 4.250 20.973 ( -0.357 0.112 2.912) 2.936 21.056 ( -1.664 -1.690 -5.142) 5.662 21.773 ( -0.446 0.427 3.773) 3.823 21.823 ( -0.272 -0.284 -1.130) 1.197 22.136 ( -4.072 0.391 4.444) 6.040 22.234 ( -5.472 -1.271 -4.970) 7.501 ======================= Grid point 169 (59/72) ======================= q-point: ( 0.40 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 4.551 2.820 5.625) 7.766 2.142 ( -1.607 2.096 1.562) 3.068 2.221 ( 8.554 -0.028 3.654) 9.302 2.333 ( 6.243 -0.532 -6.955) 9.361 2.483 ( 0.887 0.830 -1.002) 1.575 2.537 ( -0.725 0.153 -5.269) 5.321 2.705 ( -2.251 -5.902 4.969) 8.037 2.781 ( -3.039 -5.302 -1.036) 6.198 2.837 ( 0.982 -0.749 2.235) 2.554 2.899 ( -2.560 1.093 -3.059) 4.136 2.972 ( -1.990 0.331 3.436) 3.985 3.049 ( -0.696 1.430 -3.307) 3.670 3.125 ( -4.366 -0.316 -0.606) 4.419 3.173 ( -2.063 0.979 -3.509) 4.186 3.268 ( -4.682 5.311 4.093) 8.178 3.376 ( -3.717 5.049 -4.935) 7.979 3.609 ( -0.472 -1.474 4.432) 4.694 3.687 ( -0.928 -0.659 0.147) 1.148 3.798 ( -0.968 -0.370 -1.862) 2.131 3.855 ( -1.063 -2.238 -4.198) 4.875 4.272 ( 16.200 0.419 7.727) 17.953 4.402 ( 5.588 2.893 -2.687) 6.842 4.496 ( 2.606 3.743 1.932) 4.953 4.534 ( 4.206 0.089 -3.260) 5.322 4.712 ( 0.778 0.207 7.159) 7.204 4.846 ( -0.275 2.742 -2.927) 4.020 5.033 ( 4.473 -7.594 0.886) 8.858 5.099 ( 0.620 -5.458 -4.117) 6.865 5.370 ( -1.865 5.630 4.141) 7.233 5.415 ( -2.633 6.043 0.956) 6.661 5.523 ( 0.217 0.800 0.854) 1.190 5.583 ( -0.699 2.069 -3.635) 4.241 5.774 ( -3.977 2.698 2.823) 5.573 5.836 ( -5.903 -0.276 -2.422) 6.387 6.120 ( -0.064 -0.186 1.101) 1.118 6.142 ( -1.078 -0.678 -1.119) 1.695 6.185 ( 0.005 -2.579 -0.301) 2.596 6.204 ( -1.131 -2.012 -1.927) 3.007 6.391 ( 3.898 -3.186 0.439) 5.053 6.395 ( 3.642 -2.747 -0.018) 4.562 7.420 ( 1.783 2.587 2.328) 3.910 7.452 ( 0.190 3.460 -0.686) 3.533 7.699 ( 1.625 0.398 2.374) 2.905 7.725 ( 0.666 1.023 0.048) 1.222 7.867 ( -1.866 -2.396 1.865) 3.564 7.894 ( -1.906 -1.767 -0.249) 2.611 8.063 ( -5.217 -3.483 -0.398) 6.286 8.078 ( -5.637 -3.222 -1.473) 6.658 8.425 ( 1.616 1.771 3.509) 4.250 8.494 ( -1.358 1.361 -2.955) 3.526 8.906 ( -1.191 -7.632 0.464) 7.738 8.920 ( -1.935 -7.034 -0.874) 7.347 9.564 ( -0.659 5.695 0.832) 5.793 9.569 ( -0.012 4.324 0.117) 4.326 9.634 ( 0.109 4.548 0.331) 4.562 9.674 ( -0.903 4.119 -3.193) 5.290 10.346 ( 3.409 -0.818 3.587) 5.016 10.376 ( 2.366 -0.621 1.717) 2.989 10.470 ( 3.170 -2.049 -3.102) 4.886 10.495 ( 1.958 -2.504 -4.378) 5.410 11.266 ( 3.764 3.379 1.694) 5.334 11.276 ( 3.515 3.446 0.887) 5.002 11.644 ( 2.417 -1.905 -0.795) 3.178 11.664 ( 1.466 -2.013 -2.685) 3.662 12.524 ( 1.282 -0.588 3.260) 3.552 12.552 ( 1.466 -0.439 1.278) 1.994 12.620 ( -1.741 -0.004 4.463) 4.791 12.723 ( -3.058 -1.641 -4.163) 5.419 13.047 ( 1.712 6.213 0.638) 6.476 13.072 ( 1.703 6.215 -1.823) 6.697 13.867 ( 3.091 -10.152 3.399) 11.143 13.913 ( 0.722 -10.639 -0.804) 10.693 14.322 ( 1.581 3.642 1.590) 4.277 14.346 ( 2.096 3.786 -0.418) 4.347 14.460 ( -3.975 2.466 2.381) 5.249 14.517 ( -4.639 1.242 -2.686) 5.502 15.019 ( -1.151 2.362 5.484) 6.081 15.091 ( -4.467 2.104 -0.318) 4.948 15.269 ( -2.552 -1.033 -0.694) 2.839 15.345 ( -6.778 -1.367 -8.226) 10.745 16.480 ( 4.835 0.900 3.400) 5.979 16.530 ( 3.752 0.984 -0.611) 3.927 16.762 ( 0.009 -1.381 4.758) 4.954 16.884 ( -4.020 -2.299 -6.220) 7.755 17.432 ( 3.702 2.332 -0.839) 4.455 17.456 ( 3.055 0.663 -2.958) 4.303 17.871 ( 3.226 -3.462 2.914) 5.557 17.897 ( 1.979 -4.882 0.533) 5.295 18.154 ( 1.389 3.860 3.759) 5.564 18.215 ( -2.327 2.161 -2.124) 3.821 18.735 ( 3.330 -1.039 2.820) 4.486 18.790 ( 2.550 -1.398 -1.340) 3.201 18.909 ( 0.618 -1.534 1.637) 2.327 18.945 ( 0.342 -3.873 -0.706) 3.952 19.033 ( -3.984 -0.867 1.110) 4.225 19.108 ( -6.286 -5.467 -4.902) 9.666 19.663 ( 1.597 8.868 1.478) 9.131 19.698 ( -0.252 10.573 -2.047) 10.772 20.384 ( 1.214 -4.840 2.041) 5.391 20.451 ( -0.919 -5.036 -4.238) 6.646 20.783 ( 1.377 1.444 1.015) 2.239 20.799 ( 0.863 1.539 -0.622) 1.871 20.966 ( -0.238 -0.623 1.830) 1.947 21.017 ( -2.333 -2.179 -3.099) 4.449 21.781 ( 1.113 2.099 3.239) 4.017 21.818 ( -0.322 1.692 -0.334) 1.754 22.078 ( -1.734 -0.669 2.202) 2.882 22.139 ( -4.291 -1.384 -3.498) 5.706 ======================= Grid point 170 (60/72) ======================= q-point: (-0.50 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -0.880 3.380 3.456) 4.913 2.095 ( 0.880 3.380 3.456) 4.913 2.354 ( -4.393 -0.925 -3.411) 5.638 2.354 ( 4.393 -0.925 -3.411) 5.638 2.576 ( -7.696 -1.234 0.912) 7.848 2.576 ( 7.696 -1.234 0.912) 7.848 2.655 ( -8.632 -2.361 -3.866) 9.748 2.655 ( 8.632 -2.361 -3.866) 9.748 2.879 ( -2.029 -1.111 4.379) 4.953 2.879 ( 2.029 -1.111 4.379) 4.953 2.986 ( -4.148 -1.787 -1.592) 4.789 2.986 ( 4.148 -1.787 -1.592) 4.789 3.122 ( -3.722 4.841 3.680) 7.130 3.122 ( 3.722 4.841 3.680) 7.130 3.279 ( -5.495 4.806 -5.826) 9.340 3.279 ( 5.495 4.806 -5.826) 9.340 3.642 ( -3.272 0.025 4.929) 5.917 3.642 ( 3.272 0.025 4.929) 5.917 3.810 ( -2.578 -2.150 -7.027) 7.788 3.810 ( 2.578 -2.150 -7.027) 7.788 4.436 ( -2.351 2.321 3.166) 4.576 4.436 ( 2.351 2.321 3.166) 4.576 4.557 ( -1.412 -1.022 -1.091) 2.056 4.557 ( 1.412 -1.022 -1.091) 2.056 4.805 ( -5.978 0.330 5.516) 8.141 4.805 ( 5.978 0.330 5.516) 8.141 5.093 ( -1.521 -7.562 -2.040) 7.979 5.093 ( 1.521 -7.562 -2.040) 7.979 5.356 ( -1.693 5.615 2.908) 6.546 5.356 ( 1.693 5.615 2.908) 6.546 5.552 ( -2.454 0.338 -3.508) 4.294 5.552 ( 2.454 0.338 -3.508) 4.294 5.746 ( -1.851 5.139 -0.331) 5.472 5.746 ( 1.851 5.139 -0.331) 5.472 6.130 ( -0.625 0.817 0.640) 1.212 6.130 ( 0.625 0.817 0.640) 1.212 6.191 ( -0.490 -3.555 -1.540) 3.905 6.191 ( 0.490 -3.555 -1.540) 3.905 6.430 ( -0.119 -2.898 0.347) 2.921 6.430 ( 0.119 -2.898 0.347) 2.921 7.444 ( -0.838 3.343 1.066) 3.608 7.444 ( 0.839 3.343 1.066) 3.608 7.729 ( -0.823 1.411 2.202) 2.742 7.729 ( 0.823 1.411 2.202) 2.742 7.860 ( -1.182 -3.374 -0.612) 3.627 7.860 ( 1.182 -3.374 -0.612) 3.627 8.014 ( -0.627 -3.273 -0.579) 3.383 8.014 ( 0.627 -3.273 -0.579) 3.383 8.461 ( -1.952 1.624 0.244) 2.551 8.461 ( 1.952 1.624 0.244) 2.551 8.898 ( -0.400 -7.022 -0.263) 7.038 8.898 ( 0.400 -7.022 -0.263) 7.038 9.562 ( -0.380 5.747 0.932) 5.834 9.562 ( 0.380 5.747 0.932) 5.834 9.651 ( -1.344 4.050 -1.927) 4.682 9.651 ( 1.344 4.050 -1.927) 4.682 10.389 ( -0.913 -0.748 2.904) 3.135 10.389 ( 0.913 -0.748 2.904) 3.135 10.507 ( -0.674 -2.365 -3.975) 4.675 10.507 ( 0.674 -2.365 -3.975) 4.675 11.305 ( -0.310 3.036 1.531) 3.415 11.305 ( 0.310 3.036 1.531) 3.415 11.672 ( -0.577 -1.998 -1.799) 2.750 11.672 ( 0.577 -1.998 -1.799) 2.750 12.550 ( -1.460 0.319 4.122) 4.384 12.550 ( 1.460 0.319 4.122) 4.384 12.645 ( -3.921 -1.047 -2.369) 4.699 12.645 ( 3.921 -1.047 -2.369) 4.699 13.085 ( -1.047 6.044 -0.272) 6.140 13.085 ( 1.047 6.044 -0.272) 6.140 13.906 ( -1.171 -11.501 1.328) 11.636 13.906 ( 1.171 -11.501 1.328) 11.636 14.369 ( -2.678 3.788 3.001) 5.525 14.369 ( 2.678 3.788 3.001) 5.525 14.428 ( -3.646 2.763 -2.163) 5.060 14.428 ( 3.646 2.763 -2.163) 5.060 15.030 ( -1.975 2.053 2.632) 3.879 15.030 ( 1.975 2.053 2.632) 3.879 15.260 ( -1.899 -1.232 -4.877) 5.376 15.260 ( 1.899 -1.232 -4.877) 5.376 16.547 ( -1.815 1.083 3.213) 3.846 16.547 ( 1.815 1.083 3.213) 3.846 16.803 ( -3.868 -1.465 -2.590) 4.880 16.803 ( 3.868 -1.465 -2.590) 4.880 17.478 ( -0.826 0.946 -1.712) 2.124 17.478 ( 0.826 0.946 -1.712) 2.124 17.909 ( -0.697 -5.579 1.386) 5.791 17.909 ( 0.697 -5.579 1.386) 5.791 18.180 ( -1.462 4.878 0.804) 5.156 18.180 ( 1.462 4.878 0.804) 5.156 18.793 ( -2.134 -0.213 1.865) 2.842 18.793 ( 2.134 -0.213 1.865) 2.842 18.937 ( -2.147 -4.087 1.351) 4.810 18.937 ( 2.147 -4.087 1.351) 4.810 19.012 ( -2.699 -2.430 -3.657) 5.154 19.012 ( 2.699 -2.430 -3.657) 5.154 19.689 ( -0.947 9.483 0.155) 9.532 19.689 ( 0.947 9.483 0.155) 9.532 20.415 ( -2.113 -5.372 -1.797) 6.046 20.415 ( 2.113 -5.372 -1.797) 6.046 20.807 ( -0.611 1.429 0.586) 1.661 20.807 ( 0.611 1.429 0.586) 1.661 20.976 ( -1.529 -1.813 -0.575) 2.440 20.976 ( 1.529 -1.813 -0.575) 2.440 21.805 ( -1.122 2.801 1.574) 3.403 21.805 ( 1.122 2.801 1.574) 3.403 22.078 ( -1.771 -1.541 -0.887) 2.510 22.078 ( 1.771 -1.541 -0.887) 2.510 ======================= Grid point 176 (61/72) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 0.000 17.978 16.443) 24.363 1.651 ( 0.000 19.114 19.881) 27.579 1.890 ( 0.000 10.025 -14.964) 18.012 2.060 ( 0.000 14.147 -17.221) 22.287 2.308 ( 0.000 -12.061 15.990) 20.028 2.357 ( 0.000 -11.634 8.496) 14.406 2.514 ( 0.000 -8.924 -7.128) 11.421 2.631 ( 0.000 -9.638 -9.430) 13.484 2.777 ( 0.000 11.182 20.178) 23.070 3.005 ( 0.000 -3.074 -1.261) 3.323 3.115 ( 0.000 8.890 7.832) 11.847 3.187 ( 0.000 2.855 4.521) 5.347 3.288 ( 0.000 3.518 -4.863) 6.002 3.388 ( 0.000 -4.863 5.104) 7.050 3.477 ( 0.000 -0.697 -0.629) 0.938 3.543 ( 0.000 -0.028 0.683) 0.684 3.581 ( 0.000 -4.098 -6.850) 7.982 3.605 ( 0.000 13.364 -21.952) 25.701 3.829 ( 0.000 -11.904 5.511) 13.118 3.861 ( 0.000 4.413 -1.149) 4.560 3.995 ( 0.000 -1.365 0.198) 1.379 4.068 ( 0.000 -1.763 -1.639) 2.407 4.306 ( 0.000 -7.764 0.039) 7.765 4.396 ( 0.000 -12.318 -10.151) 15.962 4.847 ( 0.000 2.301 9.871) 10.135 4.971 ( 0.000 -1.267 5.066) 5.222 5.031 ( 0.000 5.219 -8.464) 9.944 5.146 ( 0.000 0.324 -10.125) 10.130 5.424 ( 0.000 7.146 6.411) 9.600 5.506 ( 0.000 0.133 -1.016) 1.025 5.566 ( 0.000 4.678 1.560) 4.931 5.617 ( 0.000 2.468 2.559) 3.556 5.660 ( 0.000 4.656 -2.362) 5.221 5.719 ( 0.000 -2.384 -7.575) 7.941 5.833 ( 0.000 -3.965 5.229) 6.563 5.931 ( 0.000 -2.786 -4.129) 4.981 6.190 ( 0.000 4.642 4.880) 6.735 6.242 ( 0.000 4.462 0.130) 4.464 6.487 ( 0.000 -6.195 3.961) 7.353 6.537 ( 0.000 -6.696 -0.686) 6.731 7.397 ( 0.000 2.745 1.199) 2.995 7.419 ( 0.000 1.701 -0.822) 1.889 7.770 ( 0.000 -0.682 1.702) 1.833 7.800 ( 0.000 -0.326 -1.503) 1.538 7.884 ( 0.000 -1.111 1.518) 1.881 7.913 ( 0.000 -1.307 -1.663) 2.115 8.207 ( 0.000 -2.540 2.621) 3.650 8.247 ( 0.000 -4.049 -1.453) 4.301 8.670 ( 0.000 4.004 6.905) 7.982 8.824 ( 0.000 3.950 -7.869) 8.805 8.946 ( 0.000 -8.755 3.304) 9.358 9.024 ( 0.000 -6.249 -4.208) 7.534 9.603 ( 0.000 2.296 2.208) 3.185 9.646 ( 0.000 1.723 -1.691) 2.414 9.676 ( 0.000 -0.794 3.192) 3.289 9.725 ( 0.000 -1.583 -1.363) 2.089 9.993 ( 0.000 0.918 1.391) 1.666 10.043 ( 0.000 -1.328 -3.180) 3.446 10.145 ( 0.000 1.449 0.331) 1.487 10.172 ( 0.000 0.109 -2.134) 2.137 10.856 ( 0.000 8.551 0.608) 8.573 10.885 ( 0.000 8.172 -1.903) 8.391 11.172 ( 0.000 -6.546 2.848) 7.138 11.240 ( 0.000 -8.083 -3.685) 8.883 12.430 ( 0.000 -1.826 6.054) 6.323 12.484 ( 0.000 -4.161 1.166) 4.322 12.653 ( 0.000 1.162 1.477) 1.879 12.682 ( 0.000 0.075 -0.864) 0.867 13.227 ( 0.000 -1.756 8.322) 8.505 13.302 ( 0.000 -3.781 0.296) 3.792 13.675 ( 0.000 2.342 -3.317) 4.060 13.737 ( 0.000 -0.530 -8.420) 8.437 14.550 ( 0.000 6.104 8.396) 10.380 14.699 ( 0.000 4.605 -3.967) 6.078 14.808 ( 0.000 -2.414 4.968) 5.524 14.910 ( 0.000 -2.264 -3.208) 3.927 15.044 ( 0.000 3.453 2.124) 4.054 15.111 ( 0.000 -0.122 -3.854) 3.856 15.824 ( 0.000 0.101 0.336) 0.351 15.857 ( 0.000 -1.701 -2.959) 3.413 16.252 ( 0.000 2.988 3.055) 4.274 16.330 ( 0.000 2.078 -4.019) 4.524 16.605 ( 0.000 -9.792 3.689) 10.464 16.664 ( 0.000 -9.440 -1.994) 9.648 17.169 ( 0.000 3.650 1.012) 3.788 17.187 ( 0.000 2.333 -0.567) 2.401 17.568 ( 0.000 -3.452 0.640) 3.511 17.582 ( 0.000 -4.269 -0.850) 4.353 18.135 ( 0.000 2.673 5.529) 6.141 18.217 ( 0.000 -0.923 -2.513) 2.677 18.548 ( 0.000 2.342 1.747) 2.922 18.614 ( 0.000 -0.049 -4.537) 4.537 19.047 ( 0.000 2.577 3.227) 4.130 19.105 ( 0.000 -0.464 -1.460) 1.532 19.161 ( 0.000 1.781 -0.207) 1.793 19.171 ( 0.000 1.464 -0.852) 1.694 19.729 ( 0.000 10.777 5.241) 11.984 19.872 ( 0.000 13.597 -8.568) 16.072 20.125 ( 0.000 -6.333 5.725) 8.537 20.253 ( 0.000 -4.153 -5.809) 7.141 20.829 ( 0.000 6.190 5.781) 8.470 20.950 ( 0.000 2.304 -2.936) 3.732 21.019 ( 0.000 -1.422 -2.569) 2.937 21.063 ( 0.000 -0.913 -5.016) 5.099 21.794 ( 0.000 -1.365 1.771) 2.236 21.811 ( 0.000 -2.289 0.336) 2.314 22.350 ( 0.000 -2.825 2.747) 3.940 22.391 ( 0.000 -4.102 -1.258) 4.290 ======================= Grid point 177 (62/72) ======================= q-point: ( 0.10 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 5.440 17.949 15.949) 24.619 1.721 ( 6.841 15.877 17.111) 24.324 1.955 ( 5.726 10.742 -13.370) 18.082 2.114 ( 4.916 10.911 -15.074) 19.247 2.321 ( 1.616 -11.859 13.108) 17.750 2.376 ( 2.162 -13.113 9.569) 16.376 2.511 ( 0.520 -10.333 -6.763) 12.361 2.654 ( 2.202 -11.316 -11.462) 16.257 2.861 ( 6.771 8.718 14.973) 18.602 2.995 ( -1.412 -1.630 0.454) 2.204 3.101 ( -1.171 7.476 6.546) 10.006 3.184 ( -0.384 4.832 3.613) 6.046 3.278 ( -0.542 2.820 -3.143) 4.258 3.355 ( -2.433 -2.416 3.330) 4.780 3.457 ( -1.761 0.683 0.233) 1.903 3.522 ( -1.553 0.606 -0.270) 1.689 3.571 ( 0.095 -3.002 -4.914) 5.760 3.669 ( 3.755 8.767 -12.804) 15.966 3.834 ( -0.749 -1.138 0.470) 1.441 3.863 ( 0.547 -1.446 -0.889) 1.783 3.956 ( -3.384 -1.277 1.606) 3.957 4.060 ( 0.047 -0.574 -4.210) 4.249 4.324 ( 2.342 -8.839 0.726) 9.172 4.423 ( 2.962 -10.692 -9.611) 14.678 4.806 ( -3.812 3.255 8.893) 10.209 4.955 ( -4.847 -0.971 -1.862) 5.282 5.014 ( 0.993 4.125 -0.803) 4.318 5.136 ( -1.030 -0.300 -7.639) 7.714 5.437 ( 1.827 7.823 4.369) 9.144 5.499 ( 0.699 4.128 -1.510) 4.451 5.584 ( 1.318 4.068 3.269) 5.383 5.649 ( 1.593 1.277 0.572) 2.121 5.722 ( 5.103 3.013 -1.922) 6.230 5.758 ( 3.807 -1.621 -4.844) 6.370 5.863 ( 3.503 -5.114 4.231) 7.506 5.952 ( 2.132 -3.279 -3.799) 5.453 6.191 ( -0.138 3.883 4.196) 5.719 6.239 ( -0.366 3.715 -0.245) 3.741 6.437 ( -4.996 -6.333 3.199) 8.677 6.479 ( -5.621 -7.061 -0.558) 9.042 7.388 ( -0.431 2.957 2.216) 3.720 7.427 ( 0.698 1.645 -1.459) 2.307 7.743 ( -2.358 -1.165 1.448) 3.002 7.774 ( -2.091 -1.331 -1.641) 2.973 7.902 ( 1.387 0.521 1.869) 2.385 7.934 ( 1.754 -0.407 -1.412) 2.288 8.197 ( -0.860 -2.842 3.239) 4.394 8.256 ( 0.300 -5.070 -2.389) 5.613 8.621 ( -4.381 5.171 6.007) 9.056 8.751 ( -6.364 4.678 -6.361) 10.141 8.920 ( -3.107 -9.134 3.424) 10.238 8.993 ( -3.510 -7.781 -3.532) 9.238 9.588 ( 0.085 2.523 4.036) 4.761 9.662 ( 1.301 1.410 -0.332) 1.947 9.681 ( -0.229 0.317 -0.612) 0.727 9.731 ( 0.684 0.048 -2.688) 2.774 10.036 ( 4.365 0.276 1.132) 4.518 10.084 ( 3.877 -1.350 -3.072) 5.127 10.183 ( 3.752 0.970 0.945) 3.989 10.218 ( 3.919 -0.471 -2.208) 4.522 10.933 ( 7.546 8.324 0.497) 11.246 10.954 ( 6.800 7.830 -1.276) 10.449 11.244 ( 6.836 -5.859 1.741) 9.170 11.299 ( 5.673 -7.342 -3.370) 9.871 12.434 ( 0.413 -1.716 5.865) 6.125 12.481 ( -0.230 -3.733 1.746) 4.128 12.661 ( 0.798 0.678 1.137) 1.546 12.686 ( 0.270 -0.523 -0.736) 0.943 13.233 ( 0.282 2.027 9.010) 9.240 13.337 ( 2.943 -2.952 -0.614) 4.213 13.626 ( -4.473 0.603 -3.169) 5.515 13.685 ( -4.534 -2.234 -8.027) 9.486 14.509 ( -4.009 5.200 6.940) 9.554 14.624 ( -9.937 4.755 -1.573) 11.128 14.694 ( -3.267 -0.959 3.137) 4.630 14.797 ( -7.369 -1.698 -4.392) 8.745 15.151 ( 4.998 1.533 2.353) 5.733 15.183 ( 4.177 0.476 -0.721) 4.265 15.757 ( -7.070 0.585 1.132) 7.184 15.821 ( -4.687 -2.921 -5.180) 7.572 16.245 ( 0.622 3.630 2.637) 4.530 16.306 ( -0.970 2.530 -3.024) 4.060 16.654 ( 4.030 -8.654 3.187) 10.064 16.705 ( 3.913 -9.306 -1.828) 10.260 17.217 ( 4.040 3.463 1.235) 5.463 17.243 ( 5.509 2.800 -1.086) 6.274 17.590 ( 2.237 -3.573 1.273) 4.404 17.625 ( 3.875 -4.565 -2.159) 6.365 18.134 ( 0.176 3.965 5.128) 6.484 18.223 ( 0.764 -0.238 -3.445) 3.537 18.566 ( 1.435 1.101 2.387) 2.994 18.632 ( 1.346 -0.989 -3.888) 4.232 18.993 ( -3.987 2.618 2.480) 5.376 19.037 ( -4.574 2.449 -1.623) 5.436 19.147 ( -1.142 -1.496 2.171) 2.873 19.192 ( -0.400 -2.474 -2.176) 3.319 19.772 ( 3.521 10.552 5.148) 12.258 19.902 ( 2.168 11.327 -6.910) 13.444 20.146 ( 2.178 -4.567 4.140) 6.538 20.256 ( 0.736 -3.585 -5.637) 6.721 20.827 ( -0.267 5.729 5.637) 8.042 20.953 ( 0.116 2.414 -4.028) 4.698 20.995 ( -2.187 -1.293 -0.543) 2.598 21.062 ( -0.276 -1.527 -5.247) 5.472 21.788 ( -0.569 -1.418 1.775) 2.343 21.802 ( -0.723 -2.252 0.672) 2.459 22.312 ( -3.423 -1.198 3.171) 4.817 22.369 ( -2.498 -3.718 -2.356) 5.061 ======================= Grid point 178 (63/72) ======================= q-point: ( 0.20 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 9.549 12.722 13.300) 20.734 1.887 ( 9.834 12.041 10.667) 18.854 2.060 ( 4.678 6.536 -7.064) 10.700 2.215 ( 5.081 5.284 -10.439) 12.756 2.362 ( 2.543 -11.674 9.845) 15.482 2.446 ( 4.387 -9.788 5.237) 11.936 2.563 ( 5.194 -10.372 -5.711) 12.929 2.704 ( 2.445 -9.323 -10.720) 14.416 2.924 ( -2.217 1.319 2.328) 3.475 2.949 ( -2.644 0.216 0.695) 2.743 3.084 ( -0.905 4.028 5.616) 6.970 3.160 ( -2.217 3.909 -0.802) 4.565 3.256 ( -2.405 -1.685 0.681) 3.014 3.316 ( -3.285 -0.251 -1.366) 3.567 3.426 ( -0.122 5.418 4.455) 7.016 3.512 ( 0.056 0.681 -2.480) 2.572 3.597 ( 3.495 0.806 3.410) 4.949 3.710 ( 0.154 2.277 -0.413) 2.319 3.787 ( -3.798 2.767 -0.611) 4.739 3.825 ( -2.502 -1.339 -1.426) 3.176 3.955 ( 2.815 3.817 2.070) 5.175 4.116 ( 6.920 3.299 -11.231) 13.598 4.397 ( 4.841 -7.221 2.816) 9.138 4.510 ( 5.416 -7.921 -7.457) 12.153 4.728 ( -3.381 3.416 6.470) 8.059 4.845 ( -5.304 1.915 -3.972) 6.898 5.015 ( -1.622 1.408 2.752) 3.491 5.110 ( -1.608 -1.477 -5.231) 5.669 5.489 ( 2.704 7.738 3.068) 8.752 5.522 ( 0.735 6.018 0.363) 6.074 5.598 ( -0.176 4.188 2.726) 5.000 5.657 ( 0.158 2.843 -2.701) 3.925 5.815 ( 3.320 0.581 0.285) 3.383 5.838 ( 3.870 -1.451 -1.400) 4.364 5.965 ( 6.490 -5.366 1.618) 8.575 6.012 ( 4.131 -4.499 -2.306) 6.529 6.178 ( -1.122 1.449 3.131) 3.628 6.226 ( -0.772 1.152 -0.802) 1.602 6.315 ( -6.717 -5.272 1.931) 8.754 6.355 ( -6.369 -6.446 -1.281) 9.152 7.394 ( 1.208 3.281 3.287) 4.799 7.449 ( 1.666 1.796 -1.740) 3.005 7.697 ( -2.086 -1.247 1.573) 2.895 7.736 ( -1.672 -1.745 -2.037) 3.160 7.919 ( 0.043 1.385 2.633) 2.975 7.961 ( 0.631 0.809 -1.544) 1.854 8.166 ( -2.930 -4.001 3.372) 5.997 8.235 ( -3.040 -5.790 -3.052) 7.217 8.533 ( -4.168 5.890 4.629) 8.573 8.630 ( -5.178 5.025 -4.427) 8.465 8.838 ( -4.564 -9.268 3.199) 10.815 8.903 ( -5.093 -8.833 -2.956) 10.616 9.610 ( 1.443 3.004 3.779) 5.038 9.665 ( -0.128 1.748 0.859) 1.952 9.700 ( 1.325 2.655 -1.735) 3.437 9.746 ( 0.982 1.672 -3.833) 4.295 10.141 ( 5.915 -0.405 1.308) 6.071 10.176 ( 5.425 -1.385 -1.080) 5.702 10.268 ( 4.833 -0.256 -0.368) 4.854 10.301 ( 4.541 -1.814 -2.732) 5.601 11.110 ( 9.798 7.645 0.209) 12.430 11.114 ( 9.009 7.456 -0.004) 11.695 11.394 ( 7.803 -4.607 0.209) 9.064 11.429 ( 7.116 -5.802 -3.031) 9.669 12.448 ( 1.102 -1.337 5.246) 5.525 12.481 ( 0.383 -2.808 2.671) 3.894 12.680 ( 0.743 -0.384 0.378) 0.918 12.688 ( 0.236 -0.825 -0.092) 0.863 13.217 ( -2.159 8.791 7.178) 11.553 13.348 ( -3.945 4.603 -4.431) 7.510 13.563 ( 0.291 -6.821 0.662) 6.859 13.634 ( 0.567 -8.251 -5.445) 9.902 14.421 ( -4.286 3.747 4.029) 6.975 14.470 ( -5.481 2.464 -0.132) 6.011 14.630 ( -3.725 1.169 1.015) 4.034 14.681 ( -4.899 -0.757 -3.227) 5.915 15.180 ( -1.326 2.284 5.044) 5.694 15.230 ( 0.474 0.045 0.780) 0.914 15.571 ( -11.284 1.688 0.775) 11.435 15.670 ( -10.327 -3.343 -8.305) 13.667 16.296 ( 4.405 2.759 2.116) 5.612 16.337 ( 4.157 1.652 -1.576) 4.743 16.720 ( 2.491 -4.870 4.311) 6.965 16.791 ( 4.302 -7.725 -2.537) 9.199 17.309 ( 5.310 4.010 1.556) 6.834 17.358 ( 5.693 3.701 -2.879) 7.375 17.644 ( 3.120 -4.512 2.277) 5.940 17.704 ( 3.870 -4.935 -3.216) 7.048 18.154 ( 2.149 5.566 4.712) 7.603 18.250 ( 1.833 1.044 -4.341) 4.827 18.584 ( 0.335 -2.479 2.825) 3.773 18.641 ( -0.611 -3.725 -2.692) 4.637 18.937 ( -1.481 2.602 2.305) 3.779 18.977 ( -1.500 2.827 -1.578) 3.568 19.116 ( -1.777 -3.757 2.011) 4.617 19.158 ( -2.652 -4.721 -2.054) 5.791 19.819 ( 0.973 10.168 4.553) 11.183 19.925 ( 0.045 9.091 -5.325) 10.535 20.202 ( 3.373 -3.672 3.479) 6.079 20.294 ( 2.953 -3.845 -5.182) 7.096 20.816 ( -0.837 4.689 4.650) 6.657 20.922 ( -3.437 2.475 -4.848) 6.438 20.971 ( -0.107 -1.149 1.973) 2.285 21.046 ( -1.452 -2.538 -5.074) 5.856 21.776 ( -0.315 -0.737 2.486) 2.612 21.797 ( 0.364 -1.717 0.522) 1.831 22.235 ( -4.420 0.678 2.781) 5.266 22.299 ( -4.549 -2.520 -3.355) 6.189 ======================= Grid point 179 (64/72) ======================= q-point: ( 0.30 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 11.174 5.501 8.366) 15.004 2.072 ( 8.941 6.772 2.702) 11.537 2.145 ( 4.360 0.224 0.944) 4.466 2.276 ( 1.119 0.390 -4.517) 4.670 2.439 ( 4.981 -3.315 5.185) 7.918 2.513 ( 3.179 -5.581 1.584) 6.616 2.661 ( 0.092 -5.279 -3.827) 6.522 2.701 ( -1.005 -4.523 -4.820) 6.686 2.855 ( -3.399 1.466 -0.526) 3.739 2.912 ( 0.497 -0.388 -3.748) 3.800 3.045 ( -2.949 1.719 2.860) 4.454 3.109 ( -2.584 2.425 -3.162) 4.750 3.199 ( -3.473 -2.281 0.545) 4.191 3.224 ( -5.064 -1.997 -1.572) 5.666 3.405 ( -2.601 1.957 1.614) 3.633 3.487 ( -2.607 -0.558 -4.672) 5.379 3.623 ( -2.148 1.557 4.589) 5.301 3.694 ( -1.192 1.340 -1.111) 2.109 3.772 ( 1.751 -0.032 3.036) 3.505 3.822 ( 0.679 -2.115 -0.375) 2.253 4.077 ( 11.375 8.993 8.057) 16.588 4.301 ( 10.793 4.673 -10.867) 16.013 4.484 ( 3.771 -2.078 5.170) 6.728 4.573 ( 0.515 0.431 -1.038) 1.236 4.707 ( 0.265 -0.150 1.507) 1.537 4.797 ( 1.918 0.148 -5.960) 6.262 4.961 ( -3.451 0.557 4.259) 5.509 5.066 ( -3.165 -2.724 -5.093) 6.586 5.508 ( -1.973 4.518 3.239) 5.899 5.516 ( 0.039 3.844 1.807) 4.248 5.578 ( -1.691 2.805 1.866) 3.769 5.655 ( -1.325 3.123 -4.431) 5.581 5.852 ( 0.957 2.942 1.600) 3.483 5.879 ( 0.514 0.684 -0.583) 1.036 6.060 ( 2.444 -4.501 0.830) 5.189 6.086 ( 2.192 -3.992 -1.709) 4.864 6.168 ( 0.143 -2.539 2.157) 3.334 6.210 ( -1.870 -2.680 -0.773) 3.358 6.244 ( 1.048 -3.242 0.554) 3.451 6.274 ( -0.249 -2.602 -1.610) 3.070 7.434 ( 2.810 3.747 3.665) 5.947 7.492 ( 2.713 2.733 -1.641) 4.186 7.671 ( -0.549 -1.360 1.916) 2.412 7.715 ( -0.342 -1.687 -2.160) 2.762 7.897 ( -2.412 0.971 3.294) 4.196 7.945 ( -2.484 1.607 -1.420) 3.282 8.078 ( -5.715 -5.176 2.182) 8.013 8.135 ( -6.911 -5.031 -2.949) 9.043 8.479 ( -1.193 5.227 4.369) 6.916 8.566 ( -1.958 3.897 -3.750) 5.752 8.771 ( -2.148 -9.077 2.089) 9.559 8.820 ( -3.290 -8.410 -2.444) 9.356 9.632 ( 1.071 3.900 2.268) 4.637 9.670 ( 0.487 3.420 -0.461) 3.485 9.716 ( 0.412 3.919 0.400) 3.960 9.762 ( 0.321 2.970 -3.076) 4.288 10.244 ( 4.696 -0.973 2.908) 5.609 10.277 ( 4.738 -2.014 0.832) 5.216 10.360 ( 4.493 -1.317 -2.544) 5.329 10.384 ( 3.888 -2.651 -3.740) 6.011 11.266 ( 6.541 6.754 1.131) 9.470 11.276 ( 6.920 6.944 0.111) 9.804 11.520 ( 5.111 -4.019 -0.451) 6.517 11.546 ( 4.758 -4.681 -2.932) 7.290 12.477 ( 1.923 -0.717 4.239) 4.710 12.499 ( 1.534 -1.651 2.894) 3.668 12.667 ( -1.533 0.123 1.602) 2.221 12.707 ( 0.666 -1.532 -1.640) 2.341 13.180 ( -0.765 9.481 2.172) 9.756 13.241 ( -4.541 8.144 -3.559) 9.980 13.616 ( 3.305 -9.622 3.227) 10.673 13.676 ( 2.286 -11.028 -2.509) 11.539 14.371 ( -0.810 3.044 2.180) 3.831 14.404 ( -1.649 2.114 -0.714) 2.775 14.561 ( -3.311 1.469 1.111) 3.789 14.600 ( -3.688 -0.295 -2.473) 4.450 15.128 ( -3.446 3.239 6.891) 8.357 15.205 ( -2.892 0.104 1.533) 3.275 15.369 ( -8.960 1.446 -1.197) 9.155 15.468 ( -9.916 -2.876 -9.119) 13.775 16.397 ( 5.793 1.751 2.770) 6.655 16.441 ( 6.067 0.417 -0.929) 6.152 16.745 ( 0.182 -1.318 4.983) 5.157 16.844 ( 0.800 -5.516 -4.166) 6.959 17.411 ( 5.096 3.808 0.392) 6.374 17.449 ( 3.850 5.348 -3.271) 7.357 17.703 ( 2.895 -6.676 3.026) 7.881 17.765 ( 2.480 -5.313 -2.590) 6.410 18.209 ( 3.198 6.678 3.625) 8.243 18.280 ( 1.089 3.549 -3.094) 4.833 18.592 ( 0.935 -7.200 2.307) 7.619 18.630 ( 0.420 -7.335 -1.617) 7.523 18.926 ( -0.150 3.151 2.328) 3.921 18.964 ( -0.433 3.074 -1.281) 3.358 19.082 ( -2.032 -2.844 0.305) 3.509 19.100 ( -3.295 -4.436 -1.466) 5.717 19.826 ( 0.429 10.279 3.692) 10.930 19.914 ( -0.780 9.581 -4.756) 10.725 20.254 ( 1.468 -5.574 4.020) 7.027 20.339 ( 1.061 -6.149 -4.311) 7.585 20.803 ( -0.204 3.358 2.588) 4.245 20.860 ( -2.460 2.370 -2.644) 4.319 20.965 ( -0.649 -1.009 0.735) 1.407 21.009 ( -2.240 -3.127 -3.457) 5.172 21.786 ( 1.471 0.967 3.048) 3.520 21.816 ( 1.594 -0.449 0.196) 1.667 22.148 ( -4.649 0.913 1.858) 5.089 22.203 ( -5.255 -1.839 -3.406) 6.527 ======================= Grid point 180 (65/72) ======================= q-point: ( 0.40 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 5.515 2.798 4.526) 7.664 2.187 ( 0.983 1.712 1.505) 2.483 2.225 ( 5.487 1.149 2.942) 6.331 2.316 ( 4.589 -1.543 -4.478) 6.595 2.502 ( 2.525 1.236 -0.069) 2.812 2.553 ( -3.080 1.618 -4.165) 5.426 2.598 ( 0.886 -4.749 3.406) 5.911 2.679 ( -2.435 -5.114 -3.794) 6.818 2.845 ( 0.713 1.395 1.951) 2.503 2.913 ( -1.159 -0.357 -3.569) 3.770 2.977 ( -4.685 0.653 3.046) 5.626 3.042 ( -5.930 -1.846 -3.172) 6.973 3.145 ( 1.398 3.166 2.571) 4.311 3.213 ( 4.263 2.195 -3.139) 5.731 3.358 ( -2.487 2.568 2.028) 4.111 3.434 ( -2.733 0.169 -3.535) 4.471 3.591 ( -0.187 0.978 3.998) 4.121 3.672 ( -0.716 0.384 -1.854) 2.024 3.771 ( -2.369 -2.911 -0.263) 3.762 3.804 ( -2.474 -3.062 -2.249) 4.534 4.323 ( 11.781 4.978 7.491) 14.822 4.471 ( 5.795 2.905 -4.632) 7.968 4.543 ( 2.134 1.380 2.958) 3.900 4.574 ( 0.288 3.290 1.258) 3.534 4.714 ( 1.830 0.743 4.655) 5.056 4.870 ( 0.944 -0.999 -6.324) 6.471 4.910 ( 0.424 -4.541 2.734) 5.318 5.002 ( -2.921 -4.832 -4.331) 7.116 5.461 ( -1.965 4.353 4.068) 6.273 5.508 ( -2.092 3.333 0.354) 3.951 5.534 ( -1.169 0.678 1.152) 1.776 5.609 ( -3.025 -0.443 -4.313) 5.287 5.858 ( -0.049 6.019 0.824) 6.076 5.873 ( -0.749 4.857 -0.435) 4.933 6.084 ( 0.709 -4.992 0.049) 5.042 6.104 ( 0.290 -3.564 -1.901) 4.050 6.161 ( -0.098 1.022 0.627) 1.203 6.177 ( -1.095 0.284 -0.900) 1.445 6.309 ( 3.793 -5.113 1.189) 6.477 6.324 ( 2.944 -4.821 -0.215) 5.653 7.491 ( 2.827 4.782 3.131) 6.377 7.535 ( 1.200 5.076 -1.059) 5.323 7.686 ( 2.364 -2.319 2.327) 4.047 7.728 ( 1.811 -1.795 -1.617) 3.019 7.830 ( -4.237 -0.107 3.249) 5.340 7.874 ( -4.480 0.475 -0.896) 4.594 7.977 ( -4.320 -5.376 0.456) 6.911 8.004 ( -5.869 -4.507 -1.801) 7.616 8.484 ( 1.303 4.520 2.694) 5.420 8.539 ( -1.122 3.563 -2.499) 4.495 8.750 ( -0.382 -8.390 0.734) 8.430 8.775 ( -1.644 -7.835 -1.632) 8.170 9.656 ( 1.379 4.764 1.320) 5.132 9.679 ( 0.366 5.299 -0.665) 5.353 9.719 ( 0.064 4.072 0.981) 4.189 9.754 ( -1.024 3.580 -2.252) 4.352 10.319 ( 3.124 -1.655 3.983) 5.326 10.345 ( 2.230 -2.426 2.750) 4.293 10.430 ( 2.647 -1.978 -4.540) 5.615 10.442 ( 2.058 -2.678 -4.561) 5.675 11.357 ( 3.096 6.070 1.489) 6.974 11.368 ( 2.744 6.090 0.559) 6.703 11.589 ( 2.287 -4.021 -0.930) 4.719 11.606 ( 1.572 -4.309 -2.469) 5.209 12.517 ( 2.214 0.040 3.704) 4.315 12.540 ( 2.558 -0.785 2.362) 3.569 12.629 ( -2.059 1.002 1.552) 2.767 12.689 ( -2.593 -1.881 -3.044) 4.419 13.194 ( 2.054 9.178 0.800) 9.439 13.219 ( 1.363 9.038 -1.620) 9.282 13.657 ( 0.947 -11.636 2.517) 11.943 13.691 ( -0.673 -12.316 -0.789) 12.360 14.383 ( 1.798 2.738 1.847) 3.761 14.403 ( 1.441 2.121 0.276) 2.579 14.505 ( -2.597 2.121 0.434) 3.381 14.536 ( -3.186 0.583 -2.099) 3.860 15.075 ( -1.544 3.299 5.705) 6.769 15.132 ( -3.945 1.743 1.866) 4.700 15.249 ( -3.561 -0.721 -2.626) 4.483 15.309 ( -6.452 -2.387 -7.455) 10.144 16.504 ( 5.070 1.691 3.778) 6.545 16.548 ( 4.527 0.557 0.671) 4.610 16.737 ( -0.500 -0.779 2.414) 2.585 16.823 ( -2.716 -3.978 -4.722) 6.745 17.491 ( 3.059 3.514 -0.713) 4.713 17.507 ( 2.209 5.693 -2.329) 6.536 17.749 ( 1.906 -8.055 2.466) 8.637 17.794 ( 0.349 -6.711 -1.781) 6.952 18.266 ( 2.627 7.693 1.870) 8.342 18.296 ( 0.770 6.687 -0.981) 6.803 18.625 ( 2.515 -9.527 2.607) 10.192 18.662 ( 1.955 -10.285 -0.699) 10.493 18.924 ( 0.045 2.837 1.579) 3.247 18.951 ( -0.799 2.870 -1.083) 3.170 19.023 ( -3.483 -0.928 -0.266) 3.614 19.044 ( -2.719 -1.880 -1.825) 3.776 19.848 ( 1.813 10.463 2.428) 10.893 19.903 ( -0.483 10.757 -2.835) 11.135 20.261 ( -0.014 -7.887 2.683) 8.331 20.325 ( -2.238 -8.281 -3.376) 9.219 20.816 ( 1.424 2.178 0.963) 2.775 20.838 ( 0.044 2.145 -1.263) 2.490 20.946 ( -1.176 -1.408 0.079) 1.836 20.965 ( -2.230 -3.009 -1.750) 4.134 21.828 ( 2.637 2.650 2.921) 4.744 21.853 ( 2.014 1.683 0.670) 2.709 22.065 ( -3.564 -0.484 0.647) 3.654 22.105 ( -4.783 -2.099 -2.927) 5.987 ======================= Grid point 181 (66/72) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -1.225 4.126 4.191) 6.007 2.171 ( 1.225 4.126 4.191) 6.007 2.335 ( -4.186 -0.880 -3.657) 5.628 2.335 ( 4.186 -0.880 -3.657) 5.628 2.554 ( -2.837 -0.872 -0.803) 3.075 2.554 ( 2.837 -0.872 -0.803) 3.075 2.605 ( -5.341 -2.917 -2.356) 6.526 2.605 ( 5.341 -2.917 -2.356) 6.526 2.873 ( -3.068 0.562 2.137) 3.781 2.873 ( 3.068 0.562 2.137) 3.781 2.942 ( -3.108 -2.373 -1.250) 4.105 2.942 ( 3.108 -2.373 -1.250) 4.105 3.235 ( -5.431 6.275 4.547) 9.462 3.235 ( 5.431 6.275 4.547) 9.462 3.360 ( -4.898 3.075 -3.978) 7.019 3.360 ( 4.898 3.075 -3.978) 7.019 3.637 ( -4.019 -0.147 3.588) 5.389 3.637 ( 4.019 -0.147 3.588) 5.389 3.748 ( -2.246 -4.321 -5.449) 7.308 3.748 ( 2.246 -4.321 -5.449) 7.308 4.485 ( -4.951 2.570 4.322) 7.057 4.485 ( 4.951 2.570 4.322) 7.057 4.565 ( -1.494 1.663 -1.167) 2.522 4.565 ( 1.494 1.663 -1.167) 2.522 4.802 ( -5.600 -0.105 4.487) 7.176 4.802 ( 5.600 -0.105 4.487) 7.176 4.958 ( -2.170 -6.728 -4.080) 8.162 4.958 ( 2.170 -6.728 -4.080) 8.162 5.456 ( -1.718 4.969 2.368) 5.766 5.456 ( 1.718 4.969 2.368) 5.766 5.553 ( -2.336 -0.337 -2.599) 3.510 5.553 ( 2.336 -0.337 -2.599) 3.510 5.860 ( -0.421 6.552 -0.170) 6.568 5.860 ( 0.421 6.552 -0.170) 6.568 6.097 ( -0.739 -5.599 -1.326) 5.801 6.097 ( 0.739 -5.599 -1.326) 5.801 6.167 ( -0.438 2.763 0.279) 2.811 6.167 ( 0.438 2.763 0.279) 2.811 6.351 ( -0.381 -5.381 0.620) 5.430 6.351 ( 0.381 -5.381 0.620) 5.430 7.532 ( -1.338 5.829 1.225) 6.105 7.532 ( 1.338 5.829 1.225) 6.105 7.748 ( -3.373 -2.080 2.557) 4.716 7.748 ( 3.373 -2.080 2.557) 4.716 7.790 ( -3.695 -0.926 -1.052) 3.952 7.790 ( 3.695 -0.926 -1.052) 3.952 7.936 ( -0.705 -4.823 -0.591) 4.910 7.936 ( 0.705 -4.823 -0.591) 4.910 8.515 ( -1.590 4.145 -0.021) 4.440 8.515 ( 1.590 4.145 -0.021) 4.440 8.753 ( -0.702 -7.908 -0.582) 7.960 8.753 ( 0.702 -7.908 -0.582) 7.960 9.677 ( -0.676 5.876 0.684) 5.954 9.677 ( 0.676 5.876 0.684) 5.954 9.730 ( -1.195 3.578 -0.928) 3.884 9.730 ( 1.195 3.578 -0.928) 3.884 10.359 ( -0.811 -2.230 3.971) 4.626 10.359 ( 0.811 -2.230 3.971) 4.626 10.459 ( -0.363 -2.414 -5.146) 5.696 10.459 ( 0.363 -2.414 -5.146) 5.696 11.389 ( -0.328 5.739 1.169) 5.866 11.389 ( 0.328 5.739 1.169) 5.866 11.614 ( -0.494 -4.175 -1.662) 4.521 11.614 ( 0.494 -4.175 -1.662) 4.521 12.558 ( -1.591 0.426 4.090) 4.409 12.558 ( 1.591 0.426 4.090) 4.409 12.629 ( -2.826 -0.649 -2.282) 3.690 12.629 ( 2.826 -0.649 -2.282) 3.690 13.232 ( -0.879 9.551 -0.080) 9.592 13.232 ( 0.879 9.551 -0.080) 9.592 13.670 ( -0.966 -13.259 0.639) 13.309 13.670 ( 0.966 -13.259 0.639) 13.309 14.424 ( -1.316 2.194 2.779) 3.778 14.424 ( 1.316 2.194 2.779) 3.778 14.480 ( -1.680 2.144 -2.135) 3.461 14.480 ( 1.680 2.144 -2.135) 3.461 15.077 ( -1.675 2.668 3.076) 4.403 15.077 ( 1.675 2.668 3.076) 4.403 15.230 ( -1.635 -1.898 -4.587) 5.227 15.230 ( 1.635 -1.898 -4.587) 5.227 16.577 ( -1.870 2.030 4.156) 4.989 16.577 ( 1.870 2.030 4.156) 4.989 16.759 ( -3.078 -2.996 -3.236) 5.378 16.759 ( 3.078 -2.996 -3.236) 5.378 17.525 ( -0.461 4.410 -1.246) 4.605 17.525 ( 0.461 4.410 -1.246) 4.605 17.781 ( -1.415 -7.773 0.023) 7.901 17.781 ( 1.415 -7.773 0.023) 7.901 18.300 ( -0.708 7.926 0.577) 7.979 18.300 ( 0.708 7.926 0.577) 7.979 18.670 ( -1.389 -10.701 1.515) 10.897 18.670 ( 1.389 -10.701 1.515) 10.897 18.934 ( -1.041 2.782 -0.028) 2.970 18.934 ( 1.041 2.782 -0.028) 2.970 18.998 ( -1.411 -0.372 -1.375) 2.005 18.998 ( 1.411 -0.372 -1.375) 2.005 19.884 ( -1.615 11.074 0.200) 11.193 19.884 ( 1.615 11.074 0.200) 11.193 20.278 ( -1.989 -9.056 -0.821) 9.308 20.278 ( 1.989 -9.056 -0.821) 9.308 20.840 ( -0.556 1.997 0.072) 2.075 20.840 ( 0.556 1.997 0.072) 2.075 20.935 ( -0.490 -2.434 -0.808) 2.611 20.935 ( 0.490 -2.434 -0.808) 2.611 21.870 ( -0.972 3.781 2.288) 4.525 21.870 ( 0.972 3.781 2.288) 4.525 22.038 ( -1.405 -2.601 -1.690) 3.405 22.038 ( 1.405 -2.601 -1.690) 3.405 ======================= Grid point 187 (67/72) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 0.000 -12.759 9.232) 15.748 1.858 ( 0.000 12.759 9.232) 15.748 2.014 ( 0.000 -17.388 15.436) 23.251 2.014 ( 0.000 17.388 15.436) 23.251 2.292 ( 0.000 -5.396 -10.652) 11.941 2.292 ( 0.000 5.396 -10.652) 11.941 2.395 ( 0.000 -8.862 -10.213) 13.522 2.395 ( 0.000 8.862 -10.213) 13.522 2.937 ( 0.000 -4.841 2.652) 5.519 2.937 ( 0.000 4.841 2.652) 5.519 3.254 ( 0.000 -4.635 7.109) 8.487 3.254 ( 0.000 4.635 7.109) 8.487 3.364 ( 0.000 -6.682 -0.542) 6.704 3.364 ( 0.000 6.682 -0.542) 6.704 3.462 ( 0.000 -10.721 7.580) 13.130 3.462 ( 0.000 10.721 7.580) 13.130 3.585 ( 0.000 -5.607 3.247) 6.480 3.585 ( 0.000 5.607 3.247) 6.480 3.841 ( 0.000 -9.012 -9.348) 12.984 3.841 ( 0.000 9.012 -9.348) 12.984 4.034 ( 0.000 -6.125 -9.301) 11.136 4.034 ( 0.000 6.125 -9.301) 11.136 4.234 ( 0.000 -1.705 -2.765) 3.249 4.234 ( 0.000 1.705 -2.765) 3.249 4.907 ( 0.000 -3.984 8.223) 9.138 4.907 ( 0.000 3.984 8.223) 9.138 5.121 ( 0.000 -3.316 -9.884) 10.425 5.121 ( 0.000 3.316 -9.884) 10.425 5.496 ( 0.000 -1.194 1.842) 2.195 5.496 ( 0.000 1.194 1.842) 2.195 5.651 ( 0.000 -1.944 -0.758) 2.087 5.651 ( 0.000 1.944 -0.758) 2.087 5.680 ( 0.000 -4.169 2.567) 4.896 5.680 ( 0.000 4.169 2.567) 4.896 5.850 ( 0.000 -5.428 -3.682) 6.559 5.850 ( 0.000 5.428 -3.682) 6.559 6.274 ( 0.000 -2.901 4.609) 5.446 6.274 ( 0.000 2.901 4.609) 5.446 6.434 ( 0.000 -2.756 -0.005) 2.756 6.434 ( 0.000 2.756 -0.005) 2.756 7.430 ( 0.000 -0.700 0.402) 0.807 7.430 ( 0.000 0.700 0.402) 0.807 7.779 ( 0.000 -1.479 0.008) 1.479 7.779 ( 0.000 1.479 0.008) 1.479 7.892 ( 0.000 -1.202 -0.110) 1.207 7.892 ( 0.000 1.202 -0.110) 1.207 8.190 ( 0.000 -1.266 0.346) 1.313 8.190 ( 0.000 1.266 0.346) 1.313 8.785 ( 0.000 -7.899 5.424) 9.582 8.785 ( 0.000 7.899 5.424) 9.582 8.912 ( 0.000 -5.451 -6.685) 8.626 8.912 ( 0.000 5.451 -6.685) 8.626 9.648 ( 0.000 -2.198 2.520) 3.344 9.648 ( 0.000 2.198 2.520) 3.344 9.687 ( 0.000 -2.356 -1.134) 2.615 9.687 ( 0.000 2.356 -1.134) 2.615 10.016 ( 0.000 -1.455 -0.955) 1.740 10.016 ( 0.000 1.455 -0.955) 1.740 10.166 ( 0.000 -0.796 -0.836) 1.154 10.166 ( 0.000 0.796 -0.836) 1.154 10.982 ( 0.000 -2.631 0.128) 2.634 10.982 ( 0.000 2.631 0.128) 2.634 11.103 ( 0.000 -3.950 -1.269) 4.149 11.103 ( 0.000 3.950 -1.269) 4.149 12.429 ( 0.000 -1.627 3.767) 4.104 12.429 ( 0.000 1.627 3.767) 4.104 12.673 ( 0.000 -0.936 0.909) 1.305 12.673 ( 0.000 0.936 0.909) 1.305 13.239 ( 0.000 -2.556 3.331) 4.198 13.239 ( 0.000 2.556 3.331) 4.198 13.715 ( 0.000 -1.772 -5.949) 6.207 13.715 ( 0.000 1.772 -5.949) 6.207 14.661 ( 0.000 -5.537 8.618) 10.244 14.661 ( 0.000 5.537 8.618) 10.244 14.850 ( 0.000 -4.031 -4.898) 6.343 14.850 ( 0.000 4.031 -4.898) 6.343 15.096 ( 0.000 -1.854 -0.895) 2.059 15.096 ( 0.000 1.854 -0.895) 2.059 15.832 ( 0.000 -0.900 -1.784) 1.998 15.832 ( 0.000 0.900 -1.784) 1.998 16.328 ( 0.000 -3.798 1.687) 4.156 16.328 ( 0.000 3.798 1.687) 4.156 16.527 ( 0.000 -3.380 -1.346) 3.638 16.527 ( 0.000 3.380 -1.346) 3.638 17.210 ( 0.000 -0.370 0.126) 0.391 17.210 ( 0.000 0.370 0.126) 0.391 17.538 ( 0.000 -0.345 -0.069) 0.352 17.538 ( 0.000 0.345 -0.069) 0.352 18.182 ( 0.000 -2.448 1.991) 3.155 18.182 ( 0.000 2.448 1.991) 3.155 18.591 ( 0.000 -2.070 -1.974) 2.860 18.591 ( 0.000 2.070 -1.974) 2.860 19.083 ( 0.000 -1.551 1.312) 2.032 19.083 ( 0.000 1.551 1.312) 2.032 19.181 ( 0.000 -0.370 -0.547) 0.660 19.181 ( 0.000 0.370 -0.547) 0.660 19.930 ( 0.000 -9.448 7.294) 11.936 19.930 ( 0.000 9.448 7.294) 11.936 20.128 ( 0.000 -8.632 -8.503) 12.117 20.128 ( 0.000 8.632 -8.503) 12.117 20.930 ( 0.000 -4.221 3.480) 5.471 20.930 ( 0.000 4.221 3.480) 5.471 21.032 ( 0.000 -2.193 -6.228) 6.603 21.032 ( 0.000 2.193 -6.228) 6.603 21.783 ( 0.000 -0.475 1.396) 1.475 21.783 ( 0.000 0.475 1.396) 1.475 22.337 ( 0.000 -1.342 0.454) 1.417 22.337 ( 0.000 1.342 0.454) 1.417 ======================= Grid point 189 (68/72) ======================= q-point: ( 0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 6.031 -12.819 9.954) 17.314 1.927 ( 6.031 12.819 9.954) 17.314 2.040 ( 2.422 -13.163 14.790) 19.947 2.040 ( 2.422 13.163 14.790) 19.947 2.282 ( -0.747 -10.089 -9.454) 13.847 2.282 ( -0.747 10.089 -9.454) 13.847 2.419 ( 3.509 -11.952 -12.099) 17.365 2.419 ( 3.509 11.952 -12.099) 17.365 2.955 ( 0.948 -2.746 1.934) 3.490 2.955 ( 0.948 2.746 1.934) 3.490 3.215 ( -3.111 -4.817 6.229) 8.467 3.215 ( -3.111 4.817 6.229) 8.467 3.337 ( -2.170 -4.601 -2.299) 5.583 3.337 ( -2.170 4.601 -2.299) 5.583 3.511 ( 1.610 -3.632 0.506) 4.005 3.511 ( 1.610 3.632 0.506) 4.005 3.599 ( 3.146 -11.388 10.909) 16.081 3.599 ( 3.146 11.388 10.909) 16.081 3.848 ( -0.238 -5.921 -5.682) 8.210 3.848 ( -0.238 5.921 -5.682) 8.210 4.018 ( -0.429 -6.074 -7.378) 9.566 4.018 ( -0.429 6.074 -7.378) 9.566 4.266 ( 3.703 -4.399 -5.643) 8.056 4.266 ( 3.703 4.399 -5.643) 8.056 4.881 ( -2.875 -4.767 6.031) 8.207 4.881 ( -2.875 4.767 6.031) 8.207 5.101 ( -1.698 -3.605 -6.909) 7.976 5.101 ( -1.698 3.605 -6.909) 7.976 5.524 ( 3.123 -1.247 0.718) 3.438 5.524 ( 3.123 1.247 0.718) 3.438 5.655 ( 0.792 -1.149 0.441) 1.464 5.655 ( 0.792 1.149 0.441) 1.464 5.742 ( 4.798 -4.134 3.296) 7.139 5.742 ( 4.798 4.134 3.296) 7.139 5.862 ( 1.511 -5.986 -4.463) 7.618 5.862 ( 1.511 5.986 -4.463) 7.618 6.268 ( -0.750 -3.102 4.000) 5.117 6.268 ( -0.750 3.102 4.000) 5.117 6.375 ( -5.712 -2.658 -0.384) 6.312 6.375 ( -5.712 2.658 -0.384) 6.312 7.431 ( 0.282 -1.351 0.817) 1.603 7.431 ( 0.282 1.351 0.817) 1.603 7.745 ( -2.668 -1.327 -0.573) 3.035 7.745 ( -2.668 1.327 -0.573) 3.035 7.923 ( 2.260 -1.121 0.378) 2.551 7.923 ( 2.260 1.121 0.378) 2.551 8.184 ( -0.764 -1.858 0.179) 2.017 8.184 ( -0.764 1.858 0.179) 2.017 8.749 ( -3.622 -8.176 4.730) 10.116 8.749 ( -3.622 8.176 4.730) 10.116 8.859 ( -4.975 -6.320 -5.203) 9.579 8.859 ( -4.975 6.320 -5.203) 9.579 9.638 ( 0.176 -2.544 3.866) 4.632 9.638 ( 0.176 2.544 3.866) 4.632 9.715 ( 1.821 -1.793 -3.483) 4.320 9.715 ( 1.821 1.793 -3.483) 4.320 10.054 ( 3.884 -1.526 -1.179) 4.336 10.054 ( 3.884 1.526 -1.179) 4.336 10.202 ( 3.257 -1.119 -0.378) 3.464 10.202 ( 3.257 1.119 -0.378) 3.464 11.053 ( 6.894 -1.754 0.303) 7.120 11.053 ( 6.894 1.754 0.303) 7.120 11.177 ( 7.004 -2.884 -1.575) 7.737 11.177 ( 7.004 2.884 -1.575) 7.737 12.432 ( 0.318 -1.428 4.052) 4.308 12.432 ( 0.318 1.428 4.052) 4.308 12.674 ( 0.087 -0.699 0.550) 0.894 12.674 ( 0.087 0.699 0.550) 0.894 13.280 ( 4.092 -3.000 3.688) 6.273 13.280 ( 4.092 3.000 3.688) 6.273 13.648 ( -6.565 -1.668 -5.940) 9.009 13.648 ( -6.565 1.668 -5.940) 9.009 14.600 ( -6.406 -4.262 7.875) 11.010 14.600 ( -6.406 4.262 7.875) 11.010 14.747 ( -5.828 -3.732 -5.565) 8.880 14.747 ( -5.828 3.732 -5.565) 8.880 15.178 ( 4.505 -1.012 1.093) 4.745 15.178 ( 4.505 1.012 1.093) 4.745 15.777 ( -5.991 -1.711 -2.532) 6.725 15.777 ( -5.991 1.711 -2.532) 6.725 16.316 ( -0.408 -2.628 0.997) 2.840 16.316 ( -0.408 2.628 0.997) 2.840 16.581 ( 5.147 -2.373 -0.540) 5.693 16.581 ( 5.147 2.373 -0.540) 5.693 17.263 ( 4.949 -0.964 0.403) 5.058 17.263 ( 4.949 0.964 0.403) 5.058 17.567 ( 2.693 -1.228 -0.812) 3.069 17.567 ( 2.693 1.228 -0.812) 3.069 18.196 ( 1.462 -2.569 1.560) 3.342 18.196 ( 1.462 2.569 1.560) 3.342 18.598 ( 0.165 -2.152 -1.418) 2.583 18.598 ( 0.165 2.152 -1.418) 2.583 19.039 ( -3.615 -1.923 1.249) 4.281 19.039 ( -3.615 1.923 1.249) 4.281 19.151 ( -2.811 -1.733 -0.531) 3.344 19.151 ( -2.811 1.733 -0.531) 3.344 19.952 ( 1.728 -7.436 5.954) 9.682 19.952 ( 1.728 7.436 5.954) 9.682 20.151 ( 2.227 -6.708 -6.931) 9.900 20.151 ( 2.227 6.708 -6.931) 9.900 20.925 ( -0.539 -4.397 3.473) 5.629 20.925 ( -0.539 4.397 3.473) 5.629 21.021 ( -1.177 -2.743 -6.008) 6.709 21.021 ( -1.177 2.743 -6.008) 6.709 21.776 ( -0.546 -0.381 1.532) 1.670 21.776 ( -0.546 0.381 1.532) 1.670 22.317 ( -2.117 -1.649 0.080) 2.684 22.317 ( -2.117 1.649 0.080) 2.684 ======================= Grid point 191 (69/72) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 2.146 -13.591 10.045) 17.036 2.012 ( 2.146 13.591 10.045) 17.036 2.118 ( 5.842 -10.389 7.630) 14.151 2.118 ( 5.842 10.389 7.630) 14.151 2.315 ( 4.686 -7.592 -4.087) 9.813 2.315 ( 4.686 7.592 -4.087) 9.813 2.526 ( 6.922 -8.291 -11.674) 15.904 2.526 ( 6.922 8.291 -11.674) 15.904 2.943 ( -2.448 -0.747 0.665) 2.645 2.943 ( -2.448 0.747 0.665) 2.645 3.156 ( -2.904 -4.024 5.050) 7.080 3.156 ( -2.904 4.024 5.050) 7.080 3.275 ( -4.427 -3.741 -4.450) 7.307 3.275 ( -4.427 3.741 -4.450) 7.307 3.501 ( -1.760 -2.028 -1.935) 3.310 3.501 ( -1.760 2.028 -1.935) 3.310 3.680 ( 3.137 -6.364 7.778) 10.528 3.680 ( 3.137 6.364 7.778) 10.528 3.806 ( -3.248 -0.537 -0.045) 3.293 3.806 ( -3.248 0.537 -0.045) 3.293 4.077 ( 7.034 -7.546 -1.014) 10.366 4.077 ( 7.034 7.546 -1.014) 10.366 4.377 ( 7.413 -5.516 -7.110) 11.659 4.377 ( 7.413 5.516 -7.110) 11.659 4.811 ( -3.665 -4.559 2.017) 6.187 4.811 ( -3.665 4.559 2.017) 6.187 5.063 ( -2.516 -3.189 -2.460) 4.749 5.063 ( -2.516 3.189 -2.460) 4.749 5.580 ( 1.144 -1.237 2.216) 2.784 5.580 ( 1.144 1.237 2.216) 2.784 5.661 ( -0.444 -2.994 -0.968) 3.178 5.661 ( -0.444 2.994 -0.968) 3.178 5.847 ( 6.181 -4.229 2.688) 7.957 5.847 ( 6.181 4.229 2.688) 7.957 5.911 ( 3.391 -4.958 -3.082) 6.751 5.911 ( 3.391 4.958 -3.082) 6.751 6.225 ( -4.904 -3.831 1.822) 6.484 6.225 ( -4.904 3.832 1.822) 6.484 6.266 ( -3.232 -3.159 -0.414) 4.538 6.266 ( -3.232 3.159 -0.414) 4.538 7.448 ( 1.695 -1.988 1.636) 3.082 7.448 ( 1.695 1.988 1.636) 3.082 7.699 ( -1.970 -1.596 -1.214) 2.811 7.699 ( -1.970 1.596 -1.214) 2.811 7.954 ( 0.675 -1.802 0.986) 2.162 7.954 ( 0.675 1.802 0.986) 2.162 8.150 ( -3.280 -2.577 -0.385) 4.189 8.150 ( -3.280 2.577 -0.385) 4.189 8.662 ( -4.756 -7.215 3.986) 9.516 8.662 ( -4.756 7.215 3.986) 9.516 8.756 ( -4.965 -6.249 -3.765) 8.825 8.756 ( -4.965 6.249 -3.765) 8.825 9.659 ( 1.530 -1.936 3.651) 4.406 9.659 ( 1.530 1.936 3.651) 4.406 9.747 ( 1.673 -1.623 -3.820) 4.475 9.747 ( 1.673 1.623 -3.820) 4.475 10.149 ( 5.418 -1.200 -0.690) 5.592 10.149 ( 5.418 1.200 -0.690) 5.592 10.273 ( 3.979 -0.996 -0.838) 4.187 10.273 ( 3.979 0.996 -0.838) 4.187 11.215 ( 9.132 -0.707 0.989) 9.212 11.215 ( 9.132 0.707 0.989) 9.212 11.331 ( 8.129 -1.652 -2.379) 8.629 11.331 ( 8.129 1.652 -2.379) 8.629 12.445 ( 1.141 -1.006 4.414) 4.669 12.445 ( 1.141 1.006 4.414) 4.669 12.678 ( 0.283 -0.286 -0.238) 0.467 12.678 ( 0.283 0.286 -0.238) 0.467 13.368 ( 3.229 -5.862 5.136) 8.436 13.368 ( 3.229 5.862 5.136) 8.436 13.506 ( -5.929 -3.998 -6.358) 9.569 13.506 ( -5.929 3.998 -6.358) 9.569 14.474 ( -5.276 -1.690 3.148) 6.372 14.474 ( -5.276 1.690 3.148) 6.372 14.659 ( -4.096 -1.589 -2.317) 4.967 14.659 ( -4.096 1.589 -2.317) 4.967 15.217 ( -0.306 -1.475 3.699) 3.994 15.217 ( -0.306 1.475 3.699) 3.994 15.612 ( -10.516 -2.739 -4.605) 11.802 15.612 ( -10.516 2.739 -4.605) 11.802 16.342 ( 3.279 -1.501 1.071) 3.762 16.342 ( 3.279 1.501 1.071) 3.762 16.690 ( 5.329 -2.298 0.079) 5.804 16.690 ( 5.329 2.298 0.079) 5.804 17.375 ( 6.229 -2.252 0.871) 6.681 17.375 ( 6.229 2.252 0.871) 6.681 17.622 ( 2.607 -2.704 -2.317) 4.413 17.622 ( 2.607 2.704 -2.317) 4.413 18.242 ( 3.368 -2.859 1.089) 4.550 18.242 ( 3.368 2.859 1.089) 4.550 18.574 ( -2.863 -2.152 -0.461) 3.611 18.574 ( -2.863 2.152 -0.461) 3.611 18.992 ( -0.690 -2.311 0.892) 2.571 18.992 ( -0.690 2.311 0.892) 2.571 19.091 ( -3.066 -2.086 -0.420) 3.732 19.091 ( -3.066 2.086 -0.420) 3.732 19.975 ( 0.505 -5.112 3.295) 6.103 19.975 ( 0.505 5.112 3.295) 6.103 20.200 ( 2.389 -4.770 -3.857) 6.583 20.200 ( 2.389 4.770 -3.857) 6.583 20.905 ( -1.733 -4.180 2.596) 5.216 20.905 ( -1.733 4.180 2.596) 5.216 20.991 ( -1.749 -3.060 -4.626) 5.816 20.991 ( -1.749 3.060 -4.626) 5.816 21.774 ( 0.651 -0.611 1.674) 1.897 21.774 ( 0.651 0.611 1.674) 1.897 22.258 ( -3.922 -1.774 -0.565) 4.342 22.258 ( -3.922 1.774 -0.565) 4.342 ======================= Grid point 193 (70/72) ======================= q-point: ( 0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 4.765 -6.324 4.751) 9.234 2.070 ( 4.765 6.324 4.751) 9.234 2.212 ( 3.596 -5.882 2.390) 7.297 2.212 ( 3.596 5.882 2.390) 7.297 2.437 ( 6.996 -2.804 2.844) 8.055 2.437 ( 6.996 2.804 2.844) 8.055 2.632 ( 2.019 -2.407 -8.248) 8.826 2.632 ( 2.019 2.407 -8.248) 8.826 2.888 ( -1.705 -1.876 -1.059) 2.747 2.888 ( -1.705 1.876 -1.059) 2.747 3.105 ( -2.716 -3.925 2.505) 5.390 3.105 ( -2.716 3.925 2.505) 5.390 3.184 ( -3.865 -2.273 -2.694) 5.231 3.184 ( -3.865 2.273 -2.694) 5.231 3.442 ( -4.028 -2.709 -3.095) 5.757 3.442 ( -4.028 2.709 -3.095) 5.757 3.692 ( -1.129 -3.995 3.773) 5.610 3.692 ( -1.129 3.995 3.773) 5.610 3.775 ( -0.416 -2.618 -0.363) 2.676 3.775 ( -0.416 2.618 -0.363) 2.676 4.255 ( 10.305 -8.642 5.169) 14.408 4.255 ( 10.305 8.642 5.169) 14.408 4.518 ( 6.330 -4.896 -4.128) 9.004 4.518 ( 6.330 4.896 -4.128) 9.004 4.763 ( -1.006 -4.357 -0.880) 4.558 4.763 ( -1.006 4.357 -0.880) 4.558 5.000 ( -3.909 -3.606 -1.084) 5.428 5.000 ( -3.909 3.606 -1.084) 5.428 5.558 ( -2.436 -0.877 3.494) 4.348 5.558 ( -2.436 0.877 3.494) 4.348 5.629 ( -2.916 -4.056 -2.408) 5.546 5.629 ( -2.916 4.056 -2.408) 5.546 5.947 ( 2.845 -2.262 1.399) 3.894 5.947 ( 2.845 2.262 1.399) 3.894 5.980 ( 3.419 -3.606 -1.421) 5.168 5.980 ( 3.419 3.606 -1.421) 5.168 6.158 ( -0.409 -1.597 -0.136) 1.654 6.158 ( -0.409 1.597 -0.136) 1.654 6.234 ( -0.553 -1.418 0.206) 1.536 6.234 ( -0.553 1.418 0.206) 1.536 7.499 ( 3.567 -2.408 2.258) 4.860 7.499 ( 3.567 2.408 2.258) 4.860 7.672 ( -0.815 -2.025 -1.519) 2.660 7.672 ( -0.815 2.025 -1.519) 2.660 7.941 ( -2.157 -2.938 1.851) 4.088 7.941 ( -2.157 2.938 1.851) 4.088 8.050 ( -6.738 -3.140 -1.302) 7.547 8.050 ( -6.738 3.140 -1.302) 7.547 8.592 ( -2.179 -5.801 3.100) 6.929 8.592 ( -2.179 5.801 3.100) 6.929 8.686 ( -2.293 -4.762 -3.003) 6.079 8.686 ( -2.293 4.762 -3.003) 6.079 9.687 ( 1.478 -1.477 1.966) 2.869 9.687 ( 1.478 1.477 1.966) 2.869 9.775 ( 0.926 -1.656 -2.057) 2.798 9.775 ( 0.926 1.656 -2.057) 2.798 10.244 ( 4.299 -1.099 1.356) 4.640 10.244 ( 4.299 1.099 1.356) 4.640 10.350 ( 3.874 -0.653 -2.766) 4.804 10.350 ( 3.874 0.653 -2.766) 4.804 11.369 ( 6.433 -1.172 1.910) 6.812 11.369 ( 6.433 1.172 1.910) 6.812 11.461 ( 5.074 -1.616 -3.086) 6.155 11.461 ( 5.074 1.616 -3.086) 6.155 12.477 ( 2.202 -0.685 4.096) 4.701 12.477 ( 2.202 0.685 4.096) 4.701 12.679 ( -0.369 -1.240 -0.868) 1.558 12.679 ( -0.369 1.240 -0.868) 1.558 13.334 ( -2.834 -3.498 0.128) 4.504 13.334 ( -2.834 3.498 0.128) 4.504 13.508 ( 2.409 -3.458 -0.264) 4.222 13.508 ( 2.409 3.458 -0.264) 4.222 14.412 ( -1.307 -1.109 1.211) 2.099 14.412 ( -1.307 1.109 1.211) 2.099 14.586 ( -3.320 -1.170 -1.211) 3.722 14.586 ( -3.320 1.170 -1.211) 3.722 15.182 ( -2.843 -2.367 5.685) 6.783 15.182 ( -2.843 2.367 5.685) 6.783 15.412 ( -9.591 -2.965 -6.546) 11.984 15.412 ( -9.591 2.965 -6.546) 11.984 16.430 ( 5.489 -1.475 1.883) 5.988 16.430 ( 5.489 1.475 1.883) 5.988 16.760 ( 1.683 -2.994 -0.427) 3.461 16.760 ( 1.683 2.994 -0.427) 3.461 17.488 ( 5.440 -3.167 1.195) 6.407 17.488 ( 5.440 3.167 1.195) 6.407 17.659 ( 1.166 -4.103 -3.177) 5.318 17.659 ( 1.166 4.103 -3.177) 5.318 18.321 ( 4.776 -2.896 1.141) 5.701 18.321 ( 4.776 2.896 1.141) 5.701 18.512 ( -2.724 -2.358 -0.107) 3.604 18.512 ( -2.724 2.358 -0.107) 3.604 18.993 ( -0.220 -2.759 1.722) 3.260 18.993 ( -0.220 2.759 1.722) 3.260 19.044 ( -1.771 -1.814 -1.521) 2.956 19.044 ( -1.771 1.814 -1.521) 2.956 19.982 ( 0.702 -4.538 1.584) 4.858 19.982 ( 0.702 4.538 1.584) 4.858 20.221 ( -0.545 -4.484 -1.878) 4.892 20.221 ( -0.545 4.484 -1.878) 4.892 20.866 ( -1.730 -2.508 0.640) 3.113 20.866 ( -1.730 2.508 0.640) 3.113 20.960 ( -1.555 -1.509 -2.179) 3.073 20.960 ( -1.555 1.509 -2.179) 3.073 21.805 ( 2.448 -0.857 1.746) 3.126 21.805 ( 2.448 0.857 1.746) 3.126 22.171 ( -5.062 -1.571 -1.011) 5.396 22.171 ( -5.062 1.571 -1.011) 5.396 ======================= Grid point 195 (71/72) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 4.717 -2.087 3.500) 6.233 2.176 ( 4.717 2.087 3.500) 6.233 2.273 ( 3.624 -2.930 -0.851) 4.738 2.273 ( 3.624 2.930 -0.851) 4.738 2.533 ( 1.846 -2.305 1.695) 3.405 2.533 ( 1.846 2.305 1.695) 3.405 2.600 ( -2.379 -3.363 -4.208) 5.889 2.600 ( -2.379 3.363 -4.208) 5.889 2.882 ( -0.168 -2.309 -0.672) 2.410 2.882 ( -0.168 2.309 -0.672) 2.410 3.004 ( -6.987 -2.006 -0.508) 7.287 3.004 ( -6.987 2.006 -0.508) 7.287 3.212 ( 6.179 -2.876 2.033) 7.112 3.212 ( 6.179 2.876 2.033) 7.112 3.391 ( -0.839 -2.958 -3.308) 4.517 3.391 ( -0.839 2.958 -3.308) 4.517 3.659 ( -1.802 -4.503 1.829) 5.184 3.659 ( -1.802 4.503 1.829) 5.184 3.746 ( -3.211 -2.618 -1.546) 4.422 3.746 ( -3.211 2.618 -1.546) 4.422 4.431 ( 7.399 -5.656 6.173) 11.173 4.431 ( 7.399 5.656 6.173) 11.173 4.590 ( 1.099 -2.105 -0.016) 2.375 4.590 ( 1.099 2.105 -0.016) 2.375 4.778 ( 2.309 -5.907 -2.889) 6.969 4.778 ( 2.309 5.907 -2.889) 6.969 4.923 ( -3.897 -3.479 -1.242) 5.370 4.923 ( -3.897 3.479 -1.242) 5.370 5.521 ( -0.869 -1.525 1.977) 2.644 5.521 ( -0.869 1.525 1.977) 2.644 5.570 ( -2.799 -2.834 -1.397) 4.220 5.570 ( -2.799 2.834 -1.397) 4.221 5.963 ( -0.207 -3.490 1.481) 3.797 5.963 ( -0.207 3.490 1.481) 3.797 6.010 ( -0.090 -4.324 -3.106) 5.324 6.010 ( -0.090 4.324 -3.106) 5.324 6.200 ( 3.302 -1.395 0.628) 3.639 6.200 ( 3.302 1.395 0.628) 3.639 6.243 ( 0.978 -1.685 0.467) 2.003 6.243 ( 0.978 1.685 0.467) 2.003 7.578 ( 4.331 -3.296 2.511) 5.993 7.578 ( 4.331 3.296 2.511) 5.993 7.665 ( -0.042 -3.199 -1.144) 3.398 7.665 ( -0.042 3.199 -1.144) 3.398 7.876 ( -4.032 -3.997 2.353) 6.145 7.876 ( -4.032 3.997 2.353) 6.145 7.924 ( -5.657 -3.458 -1.879) 6.891 7.924 ( -5.657 3.458 -1.879) 6.891 8.580 ( 0.725 -4.123 1.548) 4.464 8.580 ( 0.725 4.123 1.548) 4.464 8.655 ( -1.413 -3.283 -2.059) 4.125 8.655 ( -1.413 3.283 -2.059) 4.125 9.718 ( 1.777 -1.227 0.906) 2.342 9.718 ( 1.777 1.227 0.906) 2.342 9.777 ( -0.697 -1.464 -0.871) 1.841 9.777 ( -0.697 1.464 -0.871) 1.841 10.309 ( 2.404 -0.895 3.361) 4.228 10.309 ( 2.404 0.895 3.361) 4.228 10.411 ( 2.262 -0.351 -4.637) 5.171 10.411 ( 2.262 0.351 -4.637) 5.171 11.456 ( 2.733 -1.154 2.451) 3.849 11.456 ( 2.733 1.154 2.451) 3.849 11.524 ( 1.805 -1.343 -3.240) 3.945 11.524 ( 1.805 1.343 -3.240) 3.945 12.525 ( 2.691 -0.716 3.395) 4.391 12.525 ( 2.691 0.716 3.395) 4.391 12.655 ( -2.070 -1.716 -1.136) 2.919 12.655 ( -2.070 1.716 -1.136) 2.919 13.340 ( 3.367 -1.935 -0.347) 3.899 13.340 ( 3.367 1.935 -0.347) 3.899 13.512 ( -2.264 -2.193 0.660) 3.220 13.512 ( -2.264 2.193 0.660) 3.220 14.417 ( 1.532 -0.673 1.350) 2.150 14.417 ( 1.532 0.673 1.350) 2.150 14.533 ( -2.375 -0.869 -1.211) 2.804 14.533 ( -2.375 0.869 -1.211) 2.804 15.129 ( -2.205 -2.112 5.383) 6.188 15.129 ( -2.205 2.112 5.383) 6.188 15.263 ( -5.675 -2.173 -6.371) 8.805 15.263 ( -5.675 2.173 -6.371) 8.805 16.538 ( 5.358 -1.599 3.303) 6.494 16.538 ( 5.358 1.599 3.303) 6.494 16.755 ( -1.886 -2.758 -2.036) 3.913 16.755 ( -1.886 2.758 -2.036) 3.913 17.578 ( 3.884 -3.917 0.568) 5.545 17.578 ( 3.884 3.917 0.568) 5.545 17.664 ( -0.559 -4.897 -2.475) 5.515 17.664 ( -0.559 4.897 -2.475) 5.515 18.411 ( 4.092 -3.753 1.501) 5.751 18.411 ( 4.092 3.753 1.501) 5.751 18.485 ( -0.283 -4.111 -0.049) 4.121 18.485 ( -0.283 4.111 -0.049) 4.121 18.976 ( -0.879 -1.873 1.489) 2.549 18.976 ( -0.879 1.873 1.489) 2.549 19.015 ( -1.742 -1.447 -1.892) 2.951 19.015 ( -1.742 1.447 -1.892) 2.951 20.015 ( 2.837 -4.367 0.747) 5.261 20.015 ( 2.837 4.367 0.747) 5.261 20.177 ( -3.841 -4.551 -0.963) 6.032 20.177 ( -3.841 4.551 -0.963) 6.032 20.854 ( 0.497 -1.163 0.104) 1.269 20.854 ( 0.497 1.163 0.104) 1.269 20.928 ( -1.835 -0.410 -1.255) 2.261 20.928 ( -1.835 0.410 -1.255) 2.261 21.864 ( 3.602 -0.816 2.170) 4.284 21.864 ( 3.602 0.816 2.170) 4.284 22.071 ( -5.123 -1.243 -1.584) 5.504 22.071 ( -5.123 1.243 -1.584) 5.504 ======================= Grid point 197 (72/72) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 0.000 -0.000 5.142) 5.142 2.216 ( 0.000 0.000 5.142) 5.142 2.326 ( 0.000 -0.000 -4.175) 4.175 2.326 ( 0.000 0.000 -4.175) 4.175 2.556 ( -0.000 -0.000 -1.845) 1.845 2.556 ( 0.000 0.000 -1.845) 1.845 2.561 ( -0.000 -0.000 -1.510) 1.510 2.561 ( 0.000 0.000 -1.510) 1.510 2.891 ( -0.000 -0.000 0.774) 0.774 2.891 ( -0.000 0.000 0.774) 0.774 2.909 ( 0.000 -0.000 -0.352) 0.352 2.909 ( 0.000 0.000 -0.352) 0.352 3.311 ( 0.000 -0.000 4.506) 4.506 3.311 ( 0.000 0.000 4.506) 4.506 3.379 ( 0.000 0.000 -1.835) 1.835 3.379 ( 0.000 0.000 -1.835) 1.835 3.654 ( -0.000 0.000 -0.465) 0.465 3.654 ( 0.000 0.000 -0.465) 0.465 3.680 ( -0.000 -0.000 -2.772) 2.772 3.680 ( 0.000 -0.000 -2.772) 2.772 4.516 ( 0.000 -0.000 5.742) 5.742 4.516 ( 0.000 0.000 5.742) 5.742 4.583 ( -0.000 0.000 0.544) 0.544 4.583 ( 0.000 0.000 0.544) 0.544 4.823 ( 0.000 -0.000 -0.108) 0.108 4.823 ( 0.000 0.000 -0.108) 0.108 4.867 ( 0.000 -0.000 -3.416) 3.416 4.867 ( -0.000 0.000 -3.416) 3.416 5.528 ( 0.001 -0.002 0.187) 0.187 5.528 ( 0.000 0.001 0.187) 0.187 5.529 ( -0.001 -0.001 0.144) 0.144 5.529 ( -0.001 0.002 0.144) 0.144 5.959 ( 0.000 -0.000 1.088) 1.088 5.959 ( 0.000 0.000 1.088) 1.088 6.004 ( 0.000 0.000 -3.401) 3.401 6.004 ( 0.000 0.000 -3.401) 3.401 6.243 ( 0.000 -0.000 0.980) 0.980 6.243 ( 0.000 0.000 0.980) 0.980 6.248 ( 0.000 -0.000 0.506) 0.506 6.248 ( 0.000 0.000 0.506) 0.506 7.635 ( -0.000 -0.000 2.242) 2.242 7.635 ( 0.000 -0.000 2.242) 2.242 7.662 ( 0.000 0.000 0.038) 0.038 7.662 ( 0.000 0.000 0.038) 0.038 7.831 ( 0.000 -0.000 1.396) 1.396 7.831 ( 0.000 0.000 1.396) 1.396 7.859 ( 0.000 -0.000 -1.550) 1.550 7.859 ( 0.000 0.000 -1.550) 1.550 8.599 ( 0.000 -0.000 1.259) 1.259 8.599 ( 0.000 0.000 1.259) 1.259 8.633 ( 0.000 -0.000 -2.074) 2.074 8.633 ( 0.000 0.000 -2.074) 2.074 9.752 ( 0.000 -0.000 0.192) 0.192 9.752 ( 0.000 0.000 0.192) 0.192 9.754 ( -0.000 -0.000 -0.072) 0.072 9.754 ( 0.000 0.000 -0.072) 0.072 10.332 ( 0.000 0.000 4.136) 4.136 10.332 ( 0.000 0.000 4.136) 4.136 10.433 ( 0.000 -0.000 -5.401) 5.401 10.433 ( 0.000 0.000 -5.401) 5.401 11.481 ( 0.000 -0.000 2.597) 2.597 11.481 ( 0.000 0.000 2.597) 2.597 11.540 ( 0.000 -0.000 -3.204) 3.204 11.540 ( 0.000 0.000 -3.204) 3.204 12.562 ( -0.000 0.000 3.888) 3.888 12.562 ( 0.000 0.000 3.888) 3.888 12.623 ( 0.000 -0.000 -1.999) 1.999 12.623 ( 0.000 0.000 -1.999) 1.999 13.426 ( -0.000 -0.000 0.842) 0.842 13.426 ( -0.000 0.000 0.842) 0.842 13.440 ( 0.000 -0.000 -0.537) 0.537 13.440 ( 0.000 0.000 -0.537) 0.537 14.446 ( 0.000 0.000 2.774) 2.774 14.446 ( 0.000 0.000 2.774) 2.774 14.500 ( -0.000 0.000 -2.233) 2.233 14.500 ( 0.000 0.000 -2.233) 2.233 15.109 ( 0.000 0.000 3.996) 3.996 15.109 ( 0.000 0.000 3.996) 3.996 15.206 ( 0.000 0.000 -5.189) 5.189 15.206 ( 0.000 0.000 -5.189) 5.189 16.605 ( -0.000 -0.000 6.084) 6.084 16.605 ( 0.000 0.000 6.084) 6.084 16.720 ( 0.000 0.000 -4.951) 4.951 16.720 ( 0.000 0.000 -4.951) 4.951 17.632 ( 0.000 -0.000 -0.499) 0.499 17.632 ( 0.000 0.000 -0.499) 0.499 17.642 ( -0.000 -0.000 -1.332) 1.332 17.642 ( 0.000 0.000 -1.332) 1.332 18.456 ( -0.000 -0.000 2.300) 2.300 18.456 ( 0.000 0.000 2.300) 2.300 18.484 ( 0.000 -0.000 -0.454) 0.454 18.484 ( 0.000 0.000 -0.454) 0.454 18.975 ( 0.000 -0.000 -0.042) 0.042 18.975 ( 0.000 0.000 -0.042) 0.042 18.985 ( -0.000 -0.000 -0.880) 0.880 18.985 ( 0.000 0.000 -0.880) 0.880 20.076 ( -0.000 0.000 1.193) 1.193 20.076 ( 0.000 0.000 1.193) 1.193 20.104 ( -0.000 -0.000 -1.404) 1.404 20.104 ( 0.000 -0.000 -1.404) 1.404 20.870 ( 0.000 -0.000 0.963) 0.963 20.870 ( 0.000 0.000 0.963) 0.963 20.901 ( -0.000 0.000 -1.943) 1.943 20.901 ( 0.000 0.000 -1.943) 1.943 21.918 ( 0.000 -0.000 4.260) 4.260 21.918 ( 0.000 0.000 4.260) 4.260 22.002 ( 0.000 -0.000 -3.707) 3.707 22.002 ( 0.000 0.000 -3.707) 3.707 =================== 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 3/32400 10.0 2402.241 3000.973 2269.918 0.000 0.000 0.000 3/32400 20.0 382.489 385.372 389.065 0.000 0.000 0.000 3/32400 30.0 135.717 130.800 137.972 0.000 0.000 0.000 3/32400 40.0 69.567 65.974 70.627 0.000 0.000 0.000 3/32400 50.0 43.632 41.064 44.216 0.000 0.000 0.000 3/32400 60.0 30.840 28.921 31.196 0.000 0.000 0.000 3/32400 70.0 23.504 22.010 23.735 0.000 0.000 0.000 3/32400 80.0 18.843 17.642 18.998 0.000 0.000 0.000 3/32400 90.0 15.659 14.667 15.765 0.000 0.000 0.000 3/32400 100.0 13.362 12.525 13.435 0.000 0.000 0.000 3/32400 110.0 11.636 10.918 11.685 0.000 0.000 0.000 3/32400 120.0 10.295 9.670 10.328 0.000 0.000 0.000 3/32400 130.0 9.227 8.676 9.247 0.000 0.000 0.000 3/32400 140.0 8.356 7.867 8.367 0.000 0.000 0.000 3/32400 150.0 7.634 7.196 7.638 0.000 0.000 0.000 3/32400 160.0 7.026 6.630 7.025 0.000 0.000 0.000 3/32400 170.0 6.507 6.148 6.503 0.000 0.000 0.000 3/32400 180.0 6.060 5.732 6.053 0.000 0.000 0.000 3/32400 190.0 5.671 5.370 5.662 0.000 0.000 0.000 3/32400 200.0 5.328 5.052 5.318 0.000 0.000 0.000 3/32400 210.0 5.025 4.770 5.014 0.000 0.000 0.000 3/32400 220.0 4.755 4.518 4.743 0.000 0.000 0.000 3/32400 230.0 4.513 4.293 4.501 0.000 0.000 0.000 3/32400 240.0 4.295 4.089 4.282 0.000 0.000 0.000 3/32400 250.0 4.097 3.904 4.084 0.000 0.000 0.000 3/32400 260.0 3.917 3.736 3.904 0.000 0.000 0.000 3/32400 270.0 3.752 3.582 3.739 0.000 0.000 0.000 3/32400 280.0 3.601 3.441 3.588 0.000 0.000 0.000 3/32400 290.0 3.462 3.311 3.449 0.000 0.000 0.000 3/32400 300.0 3.333 3.190 3.321 0.000 0.000 0.000 3/32400 310.0 3.214 3.078 3.202 0.000 0.000 0.000 3/32400 320.0 3.103 2.974 3.091 0.000 0.000 0.000 3/32400 330.0 3.000 2.877 2.988 0.000 0.000 0.000 3/32400 340.0 2.904 2.786 2.892 0.000 0.000 0.000 3/32400 350.0 2.813 2.701 2.802 0.000 0.000 0.000 3/32400 360.0 2.729 2.621 2.717 0.000 0.000 0.000 3/32400 370.0 2.649 2.546 2.638 0.000 0.000 0.000 3/32400 380.0 2.574 2.475 2.563 0.000 0.000 0.000 3/32400 390.0 2.503 2.408 2.492 0.000 0.000 0.000 3/32400 400.0 2.436 2.345 2.426 0.000 0.000 0.000 3/32400 410.0 2.373 2.285 2.362 0.000 0.000 0.000 3/32400 420.0 2.312 2.228 2.302 0.000 0.000 0.000 3/32400 430.0 2.255 2.174 2.246 0.000 0.000 0.000 3/32400 440.0 2.201 2.122 2.191 0.000 0.000 0.000 3/32400 450.0 2.149 2.073 2.140 0.000 0.000 0.000 3/32400 460.0 2.100 2.027 2.091 0.000 0.000 0.000 3/32400 470.0 2.053 1.982 2.044 0.000 0.000 0.000 3/32400 480.0 2.008 1.939 1.999 0.000 0.000 0.000 3/32400 490.0 1.965 1.898 1.956 0.000 0.000 0.000 3/32400 500.0 1.924 1.859 1.916 0.000 0.000 0.000 3/32400 510.0 1.885 1.821 1.876 0.000 0.000 0.000 3/32400 520.0 1.847 1.785 1.839 0.000 0.000 0.000 3/32400 530.0 1.811 1.751 1.802 0.000 0.000 0.000 3/32400 540.0 1.776 1.717 1.768 0.000 0.000 0.000 3/32400 550.0 1.742 1.685 1.734 0.000 0.000 0.000 3/32400 560.0 1.710 1.654 1.702 0.000 0.000 0.000 3/32400 570.0 1.679 1.625 1.671 0.000 0.000 0.000 3/32400 580.0 1.649 1.596 1.641 0.000 0.000 0.000 3/32400 590.0 1.620 1.568 1.613 0.000 0.000 0.000 3/32400 600.0 1.592 1.542 1.585 0.000 0.000 0.000 3/32400 610.0 1.565 1.516 1.558 0.000 0.000 0.000 3/32400 620.0 1.539 1.491 1.532 0.000 0.000 0.000 3/32400 630.0 1.514 1.467 1.507 0.000 0.000 0.000 3/32400 640.0 1.490 1.443 1.483 0.000 0.000 0.000 3/32400 650.0 1.466 1.421 1.459 0.000 0.000 0.000 3/32400 660.0 1.443 1.399 1.437 0.000 0.000 0.000 3/32400 670.0 1.421 1.378 1.415 0.000 0.000 0.000 3/32400 680.0 1.400 1.357 1.393 0.000 0.000 0.000 3/32400 690.0 1.379 1.337 1.373 0.000 0.000 0.000 3/32400 700.0 1.359 1.318 1.352 0.000 0.000 0.000 3/32400 710.0 1.339 1.299 1.333 0.000 0.000 0.000 3/32400 720.0 1.320 1.280 1.314 0.000 0.000 0.000 3/32400 730.0 1.302 1.263 1.296 0.000 0.000 0.000 3/32400 740.0 1.284 1.245 1.278 0.000 0.000 0.000 3/32400 750.0 1.266 1.228 1.260 0.000 0.000 0.000 3/32400 760.0 1.249 1.212 1.243 0.000 0.000 0.000 3/32400 770.0 1.233 1.196 1.227 0.000 0.000 0.000 3/32400 780.0 1.216 1.181 1.211 0.000 0.000 0.000 3/32400 790.0 1.201 1.166 1.195 0.000 0.000 0.000 3/32400 800.0 1.185 1.151 1.180 0.000 0.000 0.000 3/32400 810.0 1.171 1.136 1.165 0.000 0.000 0.000 3/32400 820.0 1.156 1.122 1.151 0.000 0.000 0.000 3/32400 830.0 1.142 1.109 1.137 0.000 0.000 0.000 3/32400 840.0 1.128 1.095 1.123 0.000 0.000 0.000 3/32400 850.0 1.115 1.082 1.109 0.000 0.000 0.000 3/32400 860.0 1.101 1.070 1.096 0.000 0.000 0.000 3/32400 870.0 1.089 1.057 1.084 0.000 0.000 0.000 3/32400 880.0 1.076 1.045 1.071 0.000 0.000 0.000 3/32400 890.0 1.064 1.033 1.059 0.000 0.000 0.000 3/32400 900.0 1.052 1.022 1.047 0.000 0.000 0.000 3/32400 910.0 1.040 1.010 1.035 0.000 0.000 0.000 3/32400 920.0 1.028 0.999 1.024 0.000 0.000 0.000 3/32400 930.0 1.017 0.988 1.013 0.000 0.000 0.000 3/32400 940.0 1.006 0.978 1.002 0.000 0.000 0.000 3/32400 950.0 0.996 0.967 0.991 0.000 0.000 0.000 3/32400 960.0 0.985 0.957 0.981 0.000 0.000 0.000 3/32400 970.0 0.975 0.947 0.970 0.000 0.000 0.000 3/32400 980.0 0.965 0.938 0.960 0.000 0.000 0.000 3/32400 990.0 0.955 0.928 0.950 0.000 0.000 0.000 3/32400 1000.0 0.945 0.919 0.941 0.000 0.000 0.000 3/32400 Thermal conductivity related properties were written into "kappa-m1065.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:27:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|