----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:56:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.512464210021024 0.000000000000000 0.000000000000000 b 0.000000000000000 5.763073069999999 0.000000000000000 c -3.507545819730770 0.000000000000000 8.822678815388189 Atomic positions (fractional): *1 Ca 0.46642441403676 0.34485826632438 0.32878796932828 40.078 *2 Ca 0.94947779921307 0.59570430797385 0.31622962846214 40.078 3 Ca 0.53357558596324 0.84485826632438 0.17121203067172 40.078 4 Ca 0.05052220078693 0.40429569202615 0.68377037153786 40.078 5 Ca 0.53357558596324 0.65514173367562 0.67121203067172 40.078 6 Ca 0.05052220078693 0.09570430797385 0.18377037153786 40.078 *7 Ca 0.81714574238158 0.38113447884970 0.89792492562722 40.078 8 Ca 0.18285425761842 0.88113447884970 0.60207507437278 40.078 9 Ca 0.94947779921307 0.90429569202615 0.81622962846214 40.078 10 Ca 0.18285425761842 0.61886552115030 0.10207507437278 40.078 11 Ca 0.81714574238158 0.11886552115030 0.39792492562722 40.078 12 Ca 0.46642441403676 0.15514173367562 0.82878796932828 40.078 *13 Al 0.74185339396271 0.85502764359943 0.98971711286463 26.982 *14 Al 0.38027129072074 0.88799394323825 0.39105781668750 26.982 15 Al 0.25814660603729 0.14497235640057 0.01028288713537 26.982 16 Al 0.61972870927926 0.38799394323824 0.10894218331250 26.982 17 Al 0.25814660603729 0.35502764359943 0.51028288713537 26.982 18 Al 0.61972870927926 0.11200605676175 0.60894218331250 26.982 19 Al 0.74185339396271 0.64497235640057 0.48971711286463 26.982 20 Al 0.38027129072074 0.61200605676175 0.89105781668750 26.982 *21 N 0.05985408568473 0.26286175609663 0.93543292811763 14.007 *22 N 0.39866105024435 0.09741436156625 0.55401811141046 14.007 *23 N 0.70076735979453 0.51073609002580 0.29915182890396 14.007 24 N 0.60133894975565 0.59741436156625 0.94598188858954 14.007 25 N 0.39866105024435 0.40258563843375 0.05401811141046 14.007 26 N 0.29923264020547 0.48926390997420 0.70084817109604 14.007 *27 N 0.70231719468736 0.09418056020323 0.10784516949954 14.007 28 N 0.94014591431528 0.73713824390337 0.06456707188237 14.007 29 N 0.70076735979453 0.98926390997420 0.79915182890396 14.007 30 N 0.94014591431528 0.76286175609663 0.56456707188237 14.007 31 N 0.05985408568473 0.23713824390337 0.43543292811763 14.007 32 N 0.60133894975565 0.90258563843375 0.44598188858954 14.007 33 N 0.29768280531264 0.90581943979678 0.89215483050046 14.007 34 N 0.29768280531264 0.59418056020322 0.39215483050046 14.007 35 N 0.70231719468736 0.40581943979677 0.60784516949954 14.007 36 N 0.29923264020547 0.01073609002580 0.20084817109604 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.512464210021024 0.000000000000000 0.000000000000000 b 0.000000000000000 5.763073069999999 0.000000000000000 c -3.507545819730770 0.000000000000000 8.822678815388189 Atomic positions (fractional): *1 Ca 0.46642441403676 0.34485826632438 0.32878796932828 40.078 > 1 *2 Ca 0.94947779921307 0.59570430797385 0.31622962846214 40.078 > 2 3 Ca 0.53357558596324 0.84485826632438 0.17121203067172 40.078 > 3 4 Ca 0.05052220078693 0.40429569202615 0.68377037153786 40.078 > 4 5 Ca 0.53357558596324 0.65514173367562 0.67121203067172 40.078 > 5 6 Ca 0.05052220078693 0.09570430797385 0.18377037153786 40.078 > 6 *7 Ca 0.81714574238158 0.38113447884970 0.89792492562722 40.078 > 7 8 Ca 0.18285425761842 0.88113447884970 0.60207507437278 40.078 > 8 9 Ca 0.94947779921307 0.90429569202615 0.81622962846214 40.078 > 9 10 Ca 0.18285425761842 0.61886552115030 0.10207507437278 40.078 > 10 11 Ca 0.81714574238158 0.11886552115030 0.39792492562722 40.078 > 11 12 Ca 0.46642441403676 0.15514173367562 0.82878796932828 40.078 > 12 *13 Al 0.74185339396271 0.85502764359943 0.98971711286463 26.982 > 13 *14 Al 0.38027129072074 0.88799394323825 0.39105781668750 26.982 > 14 15 Al 0.25814660603729 0.14497235640057 0.01028288713537 26.982 > 15 16 Al 0.61972870927926 0.38799394323824 0.10894218331250 26.982 > 16 17 Al 0.25814660603729 0.35502764359943 0.51028288713537 26.982 > 17 18 Al 0.61972870927926 0.11200605676175 0.60894218331250 26.982 > 18 19 Al 0.74185339396271 0.64497235640057 0.48971711286463 26.982 > 19 20 Al 0.38027129072074 0.61200605676175 0.89105781668750 26.982 > 20 *21 N 0.05985408568473 0.26286175609663 0.93543292811763 14.007 > 21 *22 N 0.39866105024435 0.09741436156625 0.55401811141046 14.007 > 22 *23 N 0.70076735979453 0.51073609002580 0.29915182890396 14.007 > 23 24 N 0.60133894975565 0.59741436156625 0.94598188858954 14.007 > 24 25 N 0.39866105024435 0.40258563843375 0.05401811141046 14.007 > 25 26 N 0.29923264020547 0.48926390997420 0.70084817109604 14.007 > 26 *27 N 0.70231719468736 0.09418056020323 0.10784516949954 14.007 > 27 28 N 0.94014591431528 0.73713824390337 0.06456707188237 14.007 > 28 29 N 0.70076735979453 0.98926390997420 0.79915182890396 14.007 > 29 30 N 0.94014591431528 0.76286175609663 0.56456707188237 14.007 > 30 31 N 0.05985408568473 0.23713824390337 0.43543292811763 14.007 > 31 32 N 0.60133894975565 0.90258563843375 0.44598188858954 14.007 > 32 33 N 0.29768280531264 0.90581943979678 0.89215483050046 14.007 > 33 34 N 0.29768280531264 0.59418056020322 0.39215483050046 14.007 > 34 35 N 0.70231719468736 0.40581943979677 0.60784516949954 14.007 > 35 36 N 0.29923264020547 0.01073609002580 0.20084817109604 14.007 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.512464210021024 0.000000000000000 0.000000000000000 b 0.000000000000000 11.526146139999998 0.000000000000000 c -7.015091639461540 0.000000000000000 17.645357630776378 Atomic positions (fractional): *1 Ca 0.46642441403676 0.17242913316219 0.16439398466414 40.078 > 1 2 Ca 0.46642441403676 0.67242913316219 0.16439398466414 40.078 > 1 3 Ca 0.46642441403676 0.17242913316219 0.66439398466414 40.078 > 1 4 Ca 0.46642441403676 0.67242913316219 0.66439398466414 40.078 > 1 *5 Ca 0.94947779921307 0.29785215398692 0.15811481423107 40.078 > 2 6 Ca 0.94947779921307 0.79785215398692 0.15811481423107 40.078 > 2 7 Ca 0.94947779921307 0.29785215398692 0.65811481423107 40.078 > 2 8 Ca 0.94947779921307 0.79785215398692 0.65811481423107 40.078 > 2 9 Ca 0.53357558596324 0.42242913316219 0.08560601533586 40.078 > 3 10 Ca 0.53357558596324 0.92242913316219 0.08560601533586 40.078 > 3 11 Ca 0.53357558596324 0.42242913316219 0.58560601533586 40.078 > 3 12 Ca 0.53357558596324 0.92242913316219 0.58560601533586 40.078 > 3 13 Ca 0.05052220078693 0.20214784601308 0.34188518576893 40.078 > 4 14 Ca 0.05052220078693 0.70214784601308 0.34188518576893 40.078 > 4 15 Ca 0.05052220078693 0.20214784601308 0.84188518576893 40.078 > 4 16 Ca 0.05052220078693 0.70214784601308 0.84188518576893 40.078 > 4 17 Ca 0.53357558596324 0.32757086683781 0.33560601533586 40.078 > 5 18 Ca 0.53357558596324 0.82757086683781 0.33560601533586 40.078 > 5 19 Ca 0.53357558596324 0.32757086683781 0.83560601533586 40.078 > 5 20 Ca 0.53357558596324 0.82757086683781 0.83560601533586 40.078 > 5 21 Ca 0.05052220078693 0.04785215398692 0.09188518576893 40.078 > 6 22 Ca 0.05052220078693 0.54785215398692 0.09188518576893 40.078 > 6 23 Ca 0.05052220078693 0.04785215398692 0.59188518576893 40.078 > 6 24 Ca 0.05052220078693 0.54785215398692 0.59188518576893 40.078 > 6 *25 Ca 0.81714574238158 0.19056723942485 0.44896246281361 40.078 > 7 26 Ca 0.81714574238158 0.69056723942485 0.44896246281361 40.078 > 7 27 Ca 0.81714574238158 0.19056723942485 0.94896246281361 40.078 > 7 28 Ca 0.81714574238158 0.69056723942485 0.94896246281361 40.078 > 7 29 Ca 0.18285425761842 0.44056723942485 0.30103753718639 40.078 > 8 30 Ca 0.18285425761842 0.94056723942485 0.30103753718639 40.078 > 8 31 Ca 0.18285425761842 0.44056723942485 0.80103753718639 40.078 > 8 32 Ca 0.18285425761842 0.94056723942485 0.80103753718639 40.078 > 8 33 Ca 0.94947779921307 0.45214784601308 0.40811481423107 40.078 > 9 34 Ca 0.94947779921307 0.95214784601308 0.40811481423107 40.078 > 9 35 Ca 0.94947779921307 0.45214784601308 0.90811481423107 40.078 > 9 36 Ca 0.94947779921307 0.95214784601308 0.90811481423107 40.078 > 9 37 Ca 0.18285425761842 0.30943276057515 0.05103753718639 40.078 > 10 38 Ca 0.18285425761842 0.80943276057515 0.05103753718639 40.078 > 10 39 Ca 0.18285425761842 0.30943276057515 0.55103753718639 40.078 > 10 40 Ca 0.18285425761842 0.80943276057515 0.55103753718639 40.078 > 10 41 Ca 0.81714574238158 0.05943276057515 0.19896246281361 40.078 > 11 42 Ca 0.81714574238158 0.55943276057515 0.19896246281361 40.078 > 11 43 Ca 0.81714574238158 0.05943276057515 0.69896246281361 40.078 > 11 44 Ca 0.81714574238158 0.55943276057515 0.69896246281361 40.078 > 11 45 Ca 0.46642441403676 0.07757086683781 0.41439398466414 40.078 > 12 46 Ca 0.46642441403676 0.57757086683781 0.41439398466414 40.078 > 12 47 Ca 0.46642441403676 0.07757086683781 0.91439398466414 40.078 > 12 48 Ca 0.46642441403676 0.57757086683781 0.91439398466414 40.078 > 12 *49 Al 0.74185339396271 0.42751382179972 0.49485855643231 26.982 > 13 50 Al 0.74185339396271 0.92751382179972 0.49485855643231 26.982 > 13 51 Al 0.74185339396271 0.42751382179972 0.99485855643231 26.982 > 13 52 Al 0.74185339396271 0.92751382179972 0.99485855643231 26.982 > 13 *53 Al 0.38027129072074 0.44399697161912 0.19552890834375 26.982 > 14 54 Al 0.38027129072074 0.94399697161912 0.19552890834375 26.982 > 14 55 Al 0.38027129072074 0.44399697161912 0.69552890834375 26.982 > 14 56 Al 0.38027129072074 0.94399697161912 0.69552890834375 26.982 > 14 57 Al 0.25814660603729 0.07248617820028 0.00514144356769 26.982 > 15 58 Al 0.25814660603729 0.57248617820028 0.00514144356769 26.982 > 15 59 Al 0.25814660603729 0.07248617820028 0.50514144356769 26.982 > 15 60 Al 0.25814660603729 0.57248617820028 0.50514144356769 26.982 > 15 61 Al 0.61972870927926 0.19399697161912 0.05447109165625 26.982 > 16 62 Al 0.61972870927926 0.69399697161912 0.05447109165625 26.982 > 16 63 Al 0.61972870927926 0.19399697161912 0.55447109165625 26.982 > 16 64 Al 0.61972870927926 0.69399697161912 0.55447109165625 26.982 > 16 65 Al 0.25814660603729 0.17751382179972 0.25514144356769 26.982 > 17 66 Al 0.25814660603729 0.67751382179972 0.25514144356769 26.982 > 17 67 Al 0.25814660603729 0.17751382179972 0.75514144356769 26.982 > 17 68 Al 0.25814660603729 0.67751382179972 0.75514144356769 26.982 > 17 69 Al 0.61972870927926 0.05600302838088 0.30447109165625 26.982 > 18 70 Al 0.61972870927926 0.55600302838088 0.30447109165625 26.982 > 18 71 Al 0.61972870927926 0.05600302838088 0.80447109165625 26.982 > 18 72 Al 0.61972870927926 0.55600302838088 0.80447109165625 26.982 > 18 73 Al 0.74185339396271 0.32248617820028 0.24485855643231 26.982 > 19 74 Al 0.74185339396271 0.82248617820028 0.24485855643231 26.982 > 19 75 Al 0.74185339396271 0.32248617820028 0.74485855643231 26.982 > 19 76 Al 0.74185339396271 0.82248617820028 0.74485855643231 26.982 > 19 77 Al 0.38027129072074 0.30600302838088 0.44552890834375 26.982 > 20 78 Al 0.38027129072074 0.80600302838088 0.44552890834375 26.982 > 20 79 Al 0.38027129072074 0.30600302838088 0.94552890834375 26.982 > 20 80 Al 0.38027129072074 0.80600302838088 0.94552890834375 26.982 > 20 *81 N 0.05985408568473 0.13143087804831 0.46771646405882 14.007 > 21 82 N 0.05985408568473 0.63143087804831 0.46771646405882 14.007 > 21 83 N 0.05985408568473 0.13143087804831 0.96771646405881 14.007 > 21 84 N 0.05985408568473 0.63143087804831 0.96771646405881 14.007 > 21 *85 N 0.39866105024435 0.04870718078312 0.27700905570523 14.007 > 22 86 N 0.39866105024435 0.54870718078312 0.27700905570523 14.007 > 22 87 N 0.39866105024435 0.04870718078312 0.77700905570523 14.007 > 22 88 N 0.39866105024435 0.54870718078312 0.77700905570523 14.007 > 22 *89 N 0.70076735979453 0.25536804501290 0.14957591445198 14.007 > 23 90 N 0.70076735979453 0.75536804501290 0.14957591445198 14.007 > 23 91 N 0.70076735979453 0.25536804501290 0.64957591445198 14.007 > 23 92 N 0.70076735979453 0.75536804501290 0.64957591445198 14.007 > 23 93 N 0.60133894975565 0.29870718078312 0.47299094429477 14.007 > 24 94 N 0.60133894975565 0.79870718078312 0.47299094429477 14.007 > 24 95 N 0.60133894975565 0.29870718078312 0.97299094429477 14.007 > 24 96 N 0.60133894975565 0.79870718078312 0.97299094429477 14.007 > 24 97 N 0.39866105024435 0.20129281921688 0.02700905570523 14.007 > 25 98 N 0.39866105024435 0.70129281921688 0.02700905570523 14.007 > 25 99 N 0.39866105024435 0.20129281921688 0.52700905570523 14.007 > 25 100 N 0.39866105024435 0.70129281921688 0.52700905570523 14.007 > 25 101 N 0.29923264020547 0.24463195498710 0.35042408554802 14.007 > 26 102 N 0.29923264020547 0.74463195498710 0.35042408554802 14.007 > 26 103 N 0.29923264020547 0.24463195498710 0.85042408554802 14.007 > 26 104 N 0.29923264020547 0.74463195498710 0.85042408554802 14.007 > 26 *105 N 0.70231719468736 0.04709028010161 0.05392258474977 14.007 > 27 106 N 0.70231719468736 0.54709028010161 0.05392258474977 14.007 > 27 107 N 0.70231719468736 0.04709028010161 0.55392258474977 14.007 > 27 108 N 0.70231719468736 0.54709028010161 0.55392258474977 14.007 > 27 109 N 0.94014591431528 0.36856912195169 0.03228353594118 14.007 > 28 110 N 0.94014591431528 0.86856912195169 0.03228353594118 14.007 > 28 111 N 0.94014591431528 0.36856912195169 0.53228353594118 14.007 > 28 112 N 0.94014591431528 0.86856912195169 0.53228353594118 14.007 > 28 113 N 0.70076735979453 0.49463195498710 0.39957591445198 14.007 > 29 114 N 0.70076735979453 0.99463195498710 0.39957591445198 14.007 > 29 115 N 0.70076735979453 0.49463195498710 0.89957591445198 14.007 > 29 116 N 0.70076735979453 0.99463195498710 0.89957591445198 14.007 > 29 117 N 0.94014591431528 0.38143087804831 0.28228353594118 14.007 > 30 118 N 0.94014591431528 0.88143087804831 0.28228353594118 14.007 > 30 119 N 0.94014591431528 0.38143087804831 0.78228353594119 14.007 > 30 120 N 0.94014591431528 0.88143087804831 0.78228353594119 14.007 > 30 121 N 0.05985408568473 0.11856912195169 0.21771646405882 14.007 > 31 122 N 0.05985408568473 0.61856912195169 0.21771646405882 14.007 > 31 123 N 0.05985408568473 0.11856912195169 0.71771646405882 14.007 > 31 124 N 0.05985408568473 0.61856912195169 0.71771646405882 14.007 > 31 125 N 0.60133894975565 0.45129281921688 0.22299094429477 14.007 > 32 126 N 0.60133894975565 0.95129281921688 0.22299094429477 14.007 > 32 127 N 0.60133894975565 0.45129281921688 0.72299094429477 14.007 > 32 128 N 0.60133894975565 0.95129281921688 0.72299094429477 14.007 > 32 129 N 0.29768280531264 0.45290971989839 0.44607741525023 14.007 > 33 130 N 0.29768280531264 0.95290971989839 0.44607741525023 14.007 > 33 131 N 0.29768280531264 0.45290971989839 0.94607741525023 14.007 > 33 132 N 0.29768280531264 0.95290971989839 0.94607741525023 14.007 > 33 133 N 0.29768280531264 0.29709028010161 0.19607741525023 14.007 > 34 134 N 0.29768280531264 0.79709028010161 0.19607741525023 14.007 > 34 135 N 0.29768280531264 0.29709028010161 0.69607741525023 14.007 > 34 136 N 0.29768280531264 0.79709028010161 0.69607741525023 14.007 > 34 137 N 0.70231719468736 0.20290971989839 0.30392258474977 14.007 > 35 138 N 0.70231719468736 0.70290971989839 0.30392258474977 14.007 > 35 139 N 0.70231719468736 0.20290971989839 0.80392258474977 14.007 > 35 140 N 0.70231719468736 0.70290971989839 0.80392258474977 14.007 > 35 141 N 0.29923264020547 0.00536804501290 0.10042408554802 14.007 > 36 142 N 0.29923264020547 0.50536804501290 0.10042408554802 14.007 > 36 143 N 0.29923264020547 0.00536804501290 0.60042408554802 14.007 > 36 144 N 0.29923264020547 0.50536804501290 0.60042408554802 14.007 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6499764 0.0000000 0.0518993 0.0000000 5.8397205 0.0000000 0.0519002 0.0000000 5.5914086 -------------------------- Born effective charges -------------------------- 1 Ca 2.1612716 0.0769219 -0.0946862 0.0989474 2.2083964 0.0477204 -0.1331593 0.0580920 2.3530330 2 Ca 2.4314012 0.0793003 0.0787501 -0.0370889 2.1066313 -0.1593212 0.0441066 -0.1455582 2.3493047 3 Ca 2.1612716 -0.0769219 -0.0946862 -0.0989474 2.2083964 -0.0477204 -0.1331593 -0.0580920 2.3530330 4 Ca 2.4314012 0.0793003 0.0787501 -0.0370889 2.1066313 -0.1593212 0.0441066 -0.1455582 2.3493047 5 Ca 2.1612716 0.0769219 -0.0946862 0.0989474 2.2083964 0.0477204 -0.1331593 0.0580920 2.3530330 6 Ca 2.4314012 -0.0793003 0.0787501 0.0370889 2.1066313 0.1593212 0.0441066 0.1455582 2.3493047 7 Ca 2.4635428 -0.1219566 0.0168654 -0.0826039 2.3532966 0.2207339 0.0834997 0.2437535 1.9895985 8 Ca 2.4635428 0.1219566 0.0168654 0.0826039 2.3532966 -0.2207339 0.0834997 -0.2437535 1.9895985 9 Ca 2.4314012 -0.0793003 0.0787501 0.0370889 2.1066313 0.1593212 0.0441066 0.1455582 2.3493047 10 Ca 2.4635428 -0.1219566 0.0168654 -0.0826039 2.3532966 0.2207339 0.0834997 0.2437535 1.9895985 11 Ca 2.4635428 0.1219566 0.0168654 0.0826039 2.3532966 -0.2207339 0.0834997 -0.2437535 1.9895985 12 Ca 2.1612716 -0.0769219 -0.0946862 -0.0989474 2.2083964 -0.0477204 -0.1331593 -0.0580920 2.3530330 13 Al 2.4662323 -0.0737217 0.0404536 -0.1853806 2.4724394 -0.0295189 0.0599255 -0.0944234 2.2845335 14 Al 1.9798110 0.3669245 0.1878128 0.2568359 2.3641465 -0.0308503 0.1730155 0.0138808 2.4530927 15 Al 2.4662323 -0.0737217 0.0404536 -0.1853806 2.4724394 -0.0295189 0.0599255 -0.0944234 2.2845335 16 Al 1.9798110 -0.3669245 0.1878128 -0.2568359 2.3641465 0.0308503 0.1730155 -0.0138808 2.4530927 17 Al 2.4662323 0.0737217 0.0404536 0.1853806 2.4724394 0.0295189 0.0599255 0.0944234 2.2845335 18 Al 1.9798110 0.3669245 0.1878128 0.2568359 2.3641465 -0.0308503 0.1730155 0.0138808 2.4530927 19 Al 2.4662323 0.0737217 0.0404536 0.1853806 2.4724394 0.0295189 0.0599255 0.0944234 2.2845335 20 Al 1.9798110 -0.3669245 0.1878128 -0.2568359 2.3641465 0.0308503 0.1730155 -0.0138808 2.4530927 21 N -3.2498384 0.0763914 -0.1654819 0.1525646 -2.8202466 0.0017920 -0.3034296 0.0412749 -2.6713710 22 N -3.0388049 0.1508327 0.0075638 0.3323160 -2.8223409 -0.1293512 -0.0052070 -0.1535085 -2.7687459 23 N -2.6124182 0.0540110 -0.1769412 0.0422737 -2.6527512 -0.3853374 -0.1158218 -0.3090240 -3.3028007 24 N -3.0388049 -0.1508327 0.0075638 -0.3323160 -2.8223409 0.1293512 -0.0052070 0.1535085 -2.7687459 25 N -3.0388049 -0.1508327 0.0075638 -0.3323160 -2.8223409 0.1293512 -0.0052070 0.1535085 -2.7687459 26 N -2.6124182 0.0540110 -0.1769412 0.0422737 -2.6527512 -0.3853374 -0.1158218 -0.3090240 -3.3028007 27 N -2.6011975 0.2980046 0.1056635 0.4516139 -3.2095714 -0.1701122 0.1970703 -0.2086168 -2.6866447 28 N -3.2498384 0.0763914 -0.1654819 0.1525646 -2.8202466 0.0017920 -0.3034296 0.0412749 -2.6713710 29 N -2.6124182 -0.0540110 -0.1769412 -0.0422737 -2.6527512 0.3853374 -0.1158218 0.3090240 -3.3028007 30 N -3.2498384 -0.0763914 -0.1654819 -0.1525646 -2.8202466 -0.0017920 -0.3034296 -0.0412749 -2.6713710 31 N -3.2498384 -0.0763914 -0.1654819 -0.1525646 -2.8202466 -0.0017920 -0.3034296 -0.0412749 -2.6713710 32 N -3.0388049 0.1508327 0.0075638 0.3323160 -2.8223409 -0.1293512 -0.0052070 -0.1535085 -2.7687459 33 N -2.6011975 0.2980046 0.1056635 0.4516139 -3.2095714 -0.1701122 0.1970703 -0.2086168 -2.6866447 34 N -2.6011975 -0.2980046 0.1056635 -0.4516139 -3.2095714 0.1701122 0.1970703 0.2086168 -2.6866447 35 N -2.6011975 -0.2980046 0.1056635 -0.4516139 -3.2095714 0.1701122 0.1970703 0.2086168 -2.6866447 36 N -2.6124182 -0.0540110 -0.1769412 -0.0422737 -2.6527512 0.3853374 -0.1158218 0.3090240 -3.3028007 ---------------------------------------------------------------------------- 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) 235 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 283 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) 235 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 283 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 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, 5860), 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, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 283), data: True |-- (500, 482), data: False |-- (500, 15), data: (500, 33) @ (33, 15) |-- (250, 235), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 15), data: (500, 33) @ (33, 15) |-- (250, 235), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 283), data: True |-- (500, 482), data: False |-- (500, 15), data: (500, 33) @ (33, 15) |-- (250, 235), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 15), data: (500, 33) @ (33, 15) |-- (250, 235), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.979 Solver_block: 200 / 1120 - Time: 1.766 Solver_block: 300 / 1120 - Time: 1.770 Solver_block: 400 / 1120 - Time: 1.763 Solver_block: 500 / 1120 - Time: 1.767 Solver_block: 600 / 1120 - Time: 1.772 Solver_block: 700 / 1120 - Time: 1.767 Solver_block: 800 / 1120 - Time: 1.768 Solver_block: 900 / 1120 - Time: 1.763 Solver_block: 1000 / 1120 - Time: 1.764 Solver_block: 1100 / 1120 - Time: 1.767 Solver_block: 1120 / 1120 - Time: 0.539 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.695 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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) 235 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 283 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) 235 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 283 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 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, 5860), 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, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 283), data: True |-- (500, 482), data: False |-- (500, 15), data: (500, 33) @ (33, 15) |-- (250, 235), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 15), data: (500, 33) @ (33, 15) |-- (250, 235), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 283), data: True |-- (500, 482), data: False |-- (500, 15), data: (500, 33) @ (33, 15) |-- (250, 235), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 15), data: (500, 33) @ (33, 15) |-- (250, 235), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 18:57:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:57:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.512464210021024 0.000000000000000 0.000000000000000 b 0.000000000000000 5.763073069999999 0.000000000000000 c -3.507545819730770 0.000000000000000 8.822678815388189 Atomic positions (fractional): 1 Ca 0.46642441403676 0.34485826632438 0.32878796932828 40.078 2 Ca 0.94947779921307 0.59570430797385 0.31622962846214 40.078 3 Ca 0.53357558596324 0.84485826632438 0.17121203067172 40.078 4 Ca 0.05052220078693 0.40429569202615 0.68377037153786 40.078 5 Ca 0.53357558596324 0.65514173367562 0.67121203067172 40.078 6 Ca 0.05052220078693 0.09570430797385 0.18377037153786 40.078 7 Ca 0.81714574238158 0.38113447884970 0.89792492562722 40.078 8 Ca 0.18285425761842 0.88113447884970 0.60207507437278 40.078 9 Ca 0.94947779921307 0.90429569202615 0.81622962846214 40.078 10 Ca 0.18285425761842 0.61886552115030 0.10207507437278 40.078 11 Ca 0.81714574238158 0.11886552115030 0.39792492562722 40.078 12 Ca 0.46642441403676 0.15514173367562 0.82878796932828 40.078 13 Al 0.74185339396271 0.85502764359943 0.98971711286463 26.982 14 Al 0.38027129072074 0.88799394323825 0.39105781668750 26.982 15 Al 0.25814660603729 0.14497235640057 0.01028288713537 26.982 16 Al 0.61972870927926 0.38799394323824 0.10894218331250 26.982 17 Al 0.25814660603729 0.35502764359943 0.51028288713537 26.982 18 Al 0.61972870927926 0.11200605676175 0.60894218331250 26.982 19 Al 0.74185339396271 0.64497235640057 0.48971711286463 26.982 20 Al 0.38027129072074 0.61200605676175 0.89105781668750 26.982 21 N 0.05985408568473 0.26286175609663 0.93543292811763 14.007 22 N 0.39866105024435 0.09741436156625 0.55401811141046 14.007 23 N 0.70076735979453 0.51073609002580 0.29915182890396 14.007 24 N 0.60133894975565 0.59741436156625 0.94598188858954 14.007 25 N 0.39866105024435 0.40258563843375 0.05401811141046 14.007 26 N 0.29923264020547 0.48926390997420 0.70084817109604 14.007 27 N 0.70231719468736 0.09418056020323 0.10784516949954 14.007 28 N 0.94014591431528 0.73713824390337 0.06456707188237 14.007 29 N 0.70076735979453 0.98926390997420 0.79915182890396 14.007 30 N 0.94014591431528 0.76286175609663 0.56456707188237 14.007 31 N 0.05985408568473 0.23713824390337 0.43543292811763 14.007 32 N 0.60133894975565 0.90258563843375 0.44598188858954 14.007 33 N 0.29768280531264 0.90581943979678 0.89215483050046 14.007 34 N 0.29768280531264 0.59418056020322 0.39215483050046 14.007 35 N 0.70231719468736 0.40581943979677 0.60784516949954 14.007 36 N 0.29923264020547 0.01073609002580 0.20084817109604 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.512464210021024 0.000000000000000 0.000000000000000 b 0.000000000000000 11.526146139999998 0.000000000000000 c -7.015091639461540 0.000000000000000 17.645357630776378 Atomic positions (fractional): 1 Ca 0.46642441403676 0.17242913316219 0.16439398466414 40.078 > 1 2 Ca 0.46642441403676 0.67242913316219 0.16439398466414 40.078 > 1 3 Ca 0.46642441403676 0.17242913316219 0.66439398466414 40.078 > 1 4 Ca 0.46642441403676 0.67242913316219 0.66439398466414 40.078 > 1 5 Ca 0.94947779921307 0.29785215398692 0.15811481423107 40.078 > 5 6 Ca 0.94947779921307 0.79785215398692 0.15811481423107 40.078 > 5 7 Ca 0.94947779921307 0.29785215398692 0.65811481423107 40.078 > 5 8 Ca 0.94947779921307 0.79785215398692 0.65811481423107 40.078 > 5 9 Ca 0.53357558596324 0.42242913316219 0.08560601533586 40.078 > 9 10 Ca 0.53357558596324 0.92242913316219 0.08560601533586 40.078 > 9 11 Ca 0.53357558596324 0.42242913316219 0.58560601533586 40.078 > 9 12 Ca 0.53357558596324 0.92242913316219 0.58560601533586 40.078 > 9 13 Ca 0.05052220078693 0.20214784601308 0.34188518576893 40.078 > 13 14 Ca 0.05052220078693 0.70214784601308 0.34188518576893 40.078 > 13 15 Ca 0.05052220078693 0.20214784601308 0.84188518576893 40.078 > 13 16 Ca 0.05052220078693 0.70214784601308 0.84188518576893 40.078 > 13 17 Ca 0.53357558596324 0.32757086683781 0.33560601533586 40.078 > 17 18 Ca 0.53357558596324 0.82757086683781 0.33560601533586 40.078 > 17 19 Ca 0.53357558596324 0.32757086683781 0.83560601533586 40.078 > 17 20 Ca 0.53357558596324 0.82757086683781 0.83560601533586 40.078 > 17 21 Ca 0.05052220078693 0.04785215398692 0.09188518576893 40.078 > 21 22 Ca 0.05052220078693 0.54785215398692 0.09188518576893 40.078 > 21 23 Ca 0.05052220078693 0.04785215398692 0.59188518576893 40.078 > 21 24 Ca 0.05052220078693 0.54785215398692 0.59188518576893 40.078 > 21 25 Ca 0.81714574238158 0.19056723942485 0.44896246281361 40.078 > 25 26 Ca 0.81714574238158 0.69056723942485 0.44896246281361 40.078 > 25 27 Ca 0.81714574238158 0.19056723942485 0.94896246281361 40.078 > 25 28 Ca 0.81714574238158 0.69056723942485 0.94896246281361 40.078 > 25 29 Ca 0.18285425761842 0.44056723942485 0.30103753718639 40.078 > 29 30 Ca 0.18285425761842 0.94056723942485 0.30103753718639 40.078 > 29 31 Ca 0.18285425761842 0.44056723942485 0.80103753718639 40.078 > 29 32 Ca 0.18285425761842 0.94056723942485 0.80103753718639 40.078 > 29 33 Ca 0.94947779921307 0.45214784601308 0.40811481423107 40.078 > 33 34 Ca 0.94947779921307 0.95214784601308 0.40811481423107 40.078 > 33 35 Ca 0.94947779921307 0.45214784601308 0.90811481423107 40.078 > 33 36 Ca 0.94947779921307 0.95214784601308 0.90811481423107 40.078 > 33 37 Ca 0.18285425761842 0.30943276057515 0.05103753718639 40.078 > 37 38 Ca 0.18285425761842 0.80943276057515 0.05103753718639 40.078 > 37 39 Ca 0.18285425761842 0.30943276057515 0.55103753718639 40.078 > 37 40 Ca 0.18285425761842 0.80943276057515 0.55103753718639 40.078 > 37 41 Ca 0.81714574238158 0.05943276057515 0.19896246281361 40.078 > 41 42 Ca 0.81714574238158 0.55943276057515 0.19896246281361 40.078 > 41 43 Ca 0.81714574238158 0.05943276057515 0.69896246281361 40.078 > 41 44 Ca 0.81714574238158 0.55943276057515 0.69896246281361 40.078 > 41 45 Ca 0.46642441403676 0.07757086683781 0.41439398466414 40.078 > 45 46 Ca 0.46642441403676 0.57757086683781 0.41439398466414 40.078 > 45 47 Ca 0.46642441403676 0.07757086683781 0.91439398466414 40.078 > 45 48 Ca 0.46642441403676 0.57757086683781 0.91439398466414 40.078 > 45 49 Al 0.74185339396271 0.42751382179972 0.49485855643231 26.982 > 49 50 Al 0.74185339396271 0.92751382179972 0.49485855643231 26.982 > 49 51 Al 0.74185339396271 0.42751382179972 0.99485855643231 26.982 > 49 52 Al 0.74185339396271 0.92751382179972 0.99485855643231 26.982 > 49 53 Al 0.38027129072074 0.44399697161912 0.19552890834375 26.982 > 53 54 Al 0.38027129072074 0.94399697161912 0.19552890834375 26.982 > 53 55 Al 0.38027129072074 0.44399697161912 0.69552890834375 26.982 > 53 56 Al 0.38027129072074 0.94399697161912 0.69552890834375 26.982 > 53 57 Al 0.25814660603729 0.07248617820028 0.00514144356769 26.982 > 57 58 Al 0.25814660603729 0.57248617820028 0.00514144356769 26.982 > 57 59 Al 0.25814660603729 0.07248617820028 0.50514144356769 26.982 > 57 60 Al 0.25814660603729 0.57248617820028 0.50514144356769 26.982 > 57 61 Al 0.61972870927926 0.19399697161912 0.05447109165625 26.982 > 61 62 Al 0.61972870927926 0.69399697161912 0.05447109165625 26.982 > 61 63 Al 0.61972870927926 0.19399697161912 0.55447109165625 26.982 > 61 64 Al 0.61972870927926 0.69399697161912 0.55447109165625 26.982 > 61 65 Al 0.25814660603729 0.17751382179972 0.25514144356769 26.982 > 65 66 Al 0.25814660603729 0.67751382179972 0.25514144356769 26.982 > 65 67 Al 0.25814660603729 0.17751382179972 0.75514144356769 26.982 > 65 68 Al 0.25814660603729 0.67751382179972 0.75514144356769 26.982 > 65 69 Al 0.61972870927926 0.05600302838088 0.30447109165625 26.982 > 69 70 Al 0.61972870927926 0.55600302838088 0.30447109165625 26.982 > 69 71 Al 0.61972870927926 0.05600302838088 0.80447109165625 26.982 > 69 72 Al 0.61972870927926 0.55600302838088 0.80447109165625 26.982 > 69 73 Al 0.74185339396271 0.32248617820028 0.24485855643231 26.982 > 73 74 Al 0.74185339396271 0.82248617820028 0.24485855643231 26.982 > 73 75 Al 0.74185339396271 0.32248617820028 0.74485855643231 26.982 > 73 76 Al 0.74185339396271 0.82248617820028 0.74485855643231 26.982 > 73 77 Al 0.38027129072074 0.30600302838088 0.44552890834375 26.982 > 77 78 Al 0.38027129072074 0.80600302838088 0.44552890834375 26.982 > 77 79 Al 0.38027129072074 0.30600302838088 0.94552890834375 26.982 > 77 80 Al 0.38027129072074 0.80600302838088 0.94552890834375 26.982 > 77 81 N 0.05985408568473 0.13143087804831 0.46771646405882 14.007 > 81 82 N 0.05985408568473 0.63143087804831 0.46771646405882 14.007 > 81 83 N 0.05985408568473 0.13143087804831 0.96771646405881 14.007 > 81 84 N 0.05985408568473 0.63143087804831 0.96771646405881 14.007 > 81 85 N 0.39866105024435 0.04870718078312 0.27700905570523 14.007 > 85 86 N 0.39866105024435 0.54870718078312 0.27700905570523 14.007 > 85 87 N 0.39866105024435 0.04870718078312 0.77700905570523 14.007 > 85 88 N 0.39866105024435 0.54870718078312 0.77700905570523 14.007 > 85 89 N 0.70076735979453 0.25536804501290 0.14957591445198 14.007 > 89 90 N 0.70076735979453 0.75536804501290 0.14957591445198 14.007 > 89 91 N 0.70076735979453 0.25536804501290 0.64957591445198 14.007 > 89 92 N 0.70076735979453 0.75536804501290 0.64957591445198 14.007 > 89 93 N 0.60133894975565 0.29870718078312 0.47299094429477 14.007 > 93 94 N 0.60133894975565 0.79870718078312 0.47299094429477 14.007 > 93 95 N 0.60133894975565 0.29870718078312 0.97299094429477 14.007 > 93 96 N 0.60133894975565 0.79870718078312 0.97299094429477 14.007 > 93 97 N 0.39866105024435 0.20129281921688 0.02700905570523 14.007 > 97 98 N 0.39866105024435 0.70129281921688 0.02700905570523 14.007 > 97 99 N 0.39866105024435 0.20129281921688 0.52700905570523 14.007 > 97 100 N 0.39866105024435 0.70129281921688 0.52700905570523 14.007 > 97 101 N 0.29923264020547 0.24463195498710 0.35042408554802 14.007 > 101 102 N 0.29923264020547 0.74463195498710 0.35042408554802 14.007 > 101 103 N 0.29923264020547 0.24463195498710 0.85042408554802 14.007 > 101 104 N 0.29923264020547 0.74463195498710 0.85042408554802 14.007 > 101 105 N 0.70231719468736 0.04709028010161 0.05392258474977 14.007 > 105 106 N 0.70231719468736 0.54709028010161 0.05392258474977 14.007 > 105 107 N 0.70231719468736 0.04709028010161 0.55392258474977 14.007 > 105 108 N 0.70231719468736 0.54709028010161 0.55392258474977 14.007 > 105 109 N 0.94014591431528 0.36856912195169 0.03228353594118 14.007 > 109 110 N 0.94014591431528 0.86856912195169 0.03228353594118 14.007 > 109 111 N 0.94014591431528 0.36856912195169 0.53228353594118 14.007 > 109 112 N 0.94014591431528 0.86856912195169 0.53228353594118 14.007 > 109 113 N 0.70076735979453 0.49463195498710 0.39957591445198 14.007 > 113 114 N 0.70076735979453 0.99463195498710 0.39957591445198 14.007 > 113 115 N 0.70076735979453 0.49463195498710 0.89957591445198 14.007 > 113 116 N 0.70076735979453 0.99463195498710 0.89957591445198 14.007 > 113 117 N 0.94014591431528 0.38143087804831 0.28228353594118 14.007 > 117 118 N 0.94014591431528 0.88143087804831 0.28228353594118 14.007 > 117 119 N 0.94014591431528 0.38143087804831 0.78228353594119 14.007 > 117 120 N 0.94014591431528 0.88143087804831 0.78228353594119 14.007 > 117 121 N 0.05985408568473 0.11856912195169 0.21771646405882 14.007 > 121 122 N 0.05985408568473 0.61856912195169 0.21771646405882 14.007 > 121 123 N 0.05985408568473 0.11856912195169 0.71771646405882 14.007 > 121 124 N 0.05985408568473 0.61856912195169 0.71771646405882 14.007 > 121 125 N 0.60133894975565 0.45129281921688 0.22299094429477 14.007 > 125 126 N 0.60133894975565 0.95129281921688 0.22299094429477 14.007 > 125 127 N 0.60133894975565 0.45129281921688 0.72299094429477 14.007 > 125 128 N 0.60133894975565 0.95129281921688 0.72299094429477 14.007 > 125 129 N 0.29768280531264 0.45290971989839 0.44607741525023 14.007 > 129 130 N 0.29768280531264 0.95290971989839 0.44607741525023 14.007 > 129 131 N 0.29768280531264 0.45290971989839 0.94607741525023 14.007 > 129 132 N 0.29768280531264 0.95290971989839 0.94607741525023 14.007 > 129 133 N 0.29768280531264 0.29709028010161 0.19607741525023 14.007 > 133 134 N 0.29768280531264 0.79709028010161 0.19607741525023 14.007 > 133 135 N 0.29768280531264 0.29709028010161 0.69607741525023 14.007 > 133 136 N 0.29768280531264 0.79709028010161 0.69607741525023 14.007 > 133 137 N 0.70231719468736 0.20290971989839 0.30392258474977 14.007 > 137 138 N 0.70231719468736 0.70290971989839 0.30392258474977 14.007 > 137 139 N 0.70231719468736 0.20290971989839 0.80392258474977 14.007 > 137 140 N 0.70231719468736 0.70290971989839 0.80392258474977 14.007 > 137 141 N 0.29923264020547 0.00536804501290 0.10042408554802 14.007 > 141 142 N 0.29923264020547 0.50536804501290 0.10042408554802 14.007 > 141 143 N 0.29923264020547 0.00536804501290 0.60042408554802 14.007 > 141 144 N 0.29923264020547 0.50536804501290 0.60042408554802 14.007 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6499764 0.0000000 0.0518993 0.0000000 5.8397205 0.0000000 0.0519002 0.0000000 5.5914086 -------------------------- Born effective charges -------------------------- 1 Ca 2.1612716 0.0769219 -0.0946862 0.0989474 2.2083964 0.0477204 -0.1331593 0.0580920 2.3530330 2 Ca 2.4314012 0.0793003 0.0787501 -0.0370889 2.1066313 -0.1593212 0.0441066 -0.1455582 2.3493047 3 Ca 2.1612716 -0.0769219 -0.0946862 -0.0989474 2.2083964 -0.0477204 -0.1331593 -0.0580920 2.3530330 4 Ca 2.4314012 0.0793003 0.0787501 -0.0370889 2.1066313 -0.1593212 0.0441066 -0.1455582 2.3493047 5 Ca 2.1612716 0.0769219 -0.0946862 0.0989474 2.2083964 0.0477204 -0.1331593 0.0580920 2.3530330 6 Ca 2.4314012 -0.0793003 0.0787501 0.0370889 2.1066313 0.1593212 0.0441066 0.1455582 2.3493047 7 Ca 2.4635428 -0.1219566 0.0168654 -0.0826039 2.3532966 0.2207339 0.0834997 0.2437535 1.9895985 8 Ca 2.4635428 0.1219566 0.0168654 0.0826039 2.3532966 -0.2207339 0.0834997 -0.2437535 1.9895985 9 Ca 2.4314012 -0.0793003 0.0787501 0.0370889 2.1066313 0.1593212 0.0441066 0.1455582 2.3493047 10 Ca 2.4635428 -0.1219566 0.0168654 -0.0826039 2.3532966 0.2207339 0.0834997 0.2437535 1.9895985 11 Ca 2.4635428 0.1219566 0.0168654 0.0826039 2.3532966 -0.2207339 0.0834997 -0.2437535 1.9895985 12 Ca 2.1612716 -0.0769219 -0.0946862 -0.0989474 2.2083964 -0.0477204 -0.1331593 -0.0580920 2.3530330 13 Al 2.4662323 -0.0737217 0.0404536 -0.1853806 2.4724394 -0.0295189 0.0599255 -0.0944234 2.2845335 14 Al 1.9798110 0.3669245 0.1878128 0.2568359 2.3641465 -0.0308503 0.1730155 0.0138808 2.4530927 15 Al 2.4662323 -0.0737217 0.0404536 -0.1853806 2.4724394 -0.0295189 0.0599255 -0.0944234 2.2845335 16 Al 1.9798110 -0.3669245 0.1878128 -0.2568359 2.3641465 0.0308503 0.1730155 -0.0138808 2.4530927 17 Al 2.4662323 0.0737217 0.0404536 0.1853806 2.4724394 0.0295189 0.0599255 0.0944234 2.2845335 18 Al 1.9798110 0.3669245 0.1878128 0.2568359 2.3641465 -0.0308503 0.1730155 0.0138808 2.4530927 19 Al 2.4662323 0.0737217 0.0404536 0.1853806 2.4724394 0.0295189 0.0599255 0.0944234 2.2845335 20 Al 1.9798110 -0.3669245 0.1878128 -0.2568359 2.3641465 0.0308503 0.1730155 -0.0138808 2.4530927 21 N -3.2498384 0.0763914 -0.1654819 0.1525646 -2.8202466 0.0017920 -0.3034296 0.0412749 -2.6713710 22 N -3.0388049 0.1508327 0.0075638 0.3323160 -2.8223409 -0.1293512 -0.0052070 -0.1535085 -2.7687459 23 N -2.6124182 0.0540110 -0.1769412 0.0422737 -2.6527512 -0.3853374 -0.1158218 -0.3090240 -3.3028007 24 N -3.0388049 -0.1508327 0.0075638 -0.3323160 -2.8223409 0.1293512 -0.0052070 0.1535085 -2.7687459 25 N -3.0388049 -0.1508327 0.0075638 -0.3323160 -2.8223409 0.1293512 -0.0052070 0.1535085 -2.7687459 26 N -2.6124182 0.0540110 -0.1769412 0.0422737 -2.6527512 -0.3853374 -0.1158218 -0.3090240 -3.3028007 27 N -2.6011975 0.2980046 0.1056635 0.4516139 -3.2095714 -0.1701122 0.1970703 -0.2086168 -2.6866447 28 N -3.2498384 0.0763914 -0.1654819 0.1525646 -2.8202466 0.0017920 -0.3034296 0.0412749 -2.6713710 29 N -2.6124182 -0.0540110 -0.1769412 -0.0422737 -2.6527512 0.3853374 -0.1158218 0.3090240 -3.3028007 30 N -3.2498384 -0.0763914 -0.1654819 -0.1525646 -2.8202466 -0.0017920 -0.3034296 -0.0412749 -2.6713710 31 N -3.2498384 -0.0763914 -0.1654819 -0.1525646 -2.8202466 -0.0017920 -0.3034296 -0.0412749 -2.6713710 32 N -3.0388049 0.1508327 0.0075638 0.3323160 -2.8223409 -0.1293512 -0.0052070 -0.1535085 -2.7687459 33 N -2.6011975 0.2980046 0.1056635 0.4516139 -3.2095714 -0.1701122 0.1970703 -0.2086168 -2.6866447 34 N -2.6011975 -0.2980046 0.1056635 -0.4516139 -3.2095714 0.1701122 0.1970703 0.2086168 -2.6866447 35 N -2.6011975 -0.2980046 0.1056635 -0.4516139 -3.2095714 0.1701122 0.1970703 0.2086168 -2.6866447 36 N -2.6124182 -0.0540110 -0.1769412 -0.0422737 -2.6527512 0.3853374 -0.1158218 0.3090240 -3.3028007 ---------------------------------------------------------------------------- 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 85, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 89, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 105, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xzz) 0.00000000 (xzz) 0.00000000 (xzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:58:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:58:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.512464210021024 0.000000000000000 0.000000000000000 b 0.000000000000000 5.763073069999999 0.000000000000000 c -3.507545819730770 0.000000000000000 8.822678815388189 Atomic positions (fractional): 1 Ca 0.46642441403676 0.34485826632438 0.32878796932828 40.078 2 Ca 0.94947779921307 0.59570430797385 0.31622962846214 40.078 3 Ca 0.53357558596324 0.84485826632438 0.17121203067172 40.078 4 Ca 0.05052220078693 0.40429569202615 0.68377037153786 40.078 5 Ca 0.53357558596324 0.65514173367562 0.67121203067172 40.078 6 Ca 0.05052220078693 0.09570430797385 0.18377037153786 40.078 7 Ca 0.81714574238158 0.38113447884970 0.89792492562722 40.078 8 Ca 0.18285425761842 0.88113447884970 0.60207507437278 40.078 9 Ca 0.94947779921307 0.90429569202615 0.81622962846214 40.078 10 Ca 0.18285425761842 0.61886552115030 0.10207507437278 40.078 11 Ca 0.81714574238158 0.11886552115030 0.39792492562722 40.078 12 Ca 0.46642441403676 0.15514173367562 0.82878796932828 40.078 13 Al 0.74185339396271 0.85502764359943 0.98971711286463 26.982 14 Al 0.38027129072074 0.88799394323825 0.39105781668750 26.982 15 Al 0.25814660603729 0.14497235640057 0.01028288713537 26.982 16 Al 0.61972870927926 0.38799394323824 0.10894218331250 26.982 17 Al 0.25814660603729 0.35502764359943 0.51028288713537 26.982 18 Al 0.61972870927926 0.11200605676175 0.60894218331250 26.982 19 Al 0.74185339396271 0.64497235640057 0.48971711286463 26.982 20 Al 0.38027129072074 0.61200605676175 0.89105781668750 26.982 21 N 0.05985408568473 0.26286175609663 0.93543292811763 14.007 22 N 0.39866105024435 0.09741436156625 0.55401811141046 14.007 23 N 0.70076735979453 0.51073609002580 0.29915182890396 14.007 24 N 0.60133894975565 0.59741436156625 0.94598188858954 14.007 25 N 0.39866105024435 0.40258563843375 0.05401811141046 14.007 26 N 0.29923264020547 0.48926390997420 0.70084817109604 14.007 27 N 0.70231719468736 0.09418056020323 0.10784516949954 14.007 28 N 0.94014591431528 0.73713824390337 0.06456707188237 14.007 29 N 0.70076735979453 0.98926390997420 0.79915182890396 14.007 30 N 0.94014591431528 0.76286175609663 0.56456707188237 14.007 31 N 0.05985408568473 0.23713824390337 0.43543292811763 14.007 32 N 0.60133894975565 0.90258563843375 0.44598188858954 14.007 33 N 0.29768280531264 0.90581943979678 0.89215483050046 14.007 34 N 0.29768280531264 0.59418056020322 0.39215483050046 14.007 35 N 0.70231719468736 0.40581943979677 0.60784516949954 14.007 36 N 0.29923264020547 0.01073609002580 0.20084817109604 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.512464210021024 0.000000000000000 0.000000000000000 b 0.000000000000000 11.526146139999998 0.000000000000000 c -7.015091639461540 0.000000000000000 17.645357630776378 Atomic positions (fractional): 1 Ca 0.46642441403676 0.17242913316219 0.16439398466414 40.078 > 1 2 Ca 0.46642441403676 0.67242913316219 0.16439398466414 40.078 > 1 3 Ca 0.46642441403676 0.17242913316219 0.66439398466414 40.078 > 1 4 Ca 0.46642441403676 0.67242913316219 0.66439398466414 40.078 > 1 5 Ca 0.94947779921307 0.29785215398692 0.15811481423107 40.078 > 5 6 Ca 0.94947779921307 0.79785215398692 0.15811481423107 40.078 > 5 7 Ca 0.94947779921307 0.29785215398692 0.65811481423107 40.078 > 5 8 Ca 0.94947779921307 0.79785215398692 0.65811481423107 40.078 > 5 9 Ca 0.53357558596324 0.42242913316219 0.08560601533586 40.078 > 9 10 Ca 0.53357558596324 0.92242913316219 0.08560601533586 40.078 > 9 11 Ca 0.53357558596324 0.42242913316219 0.58560601533586 40.078 > 9 12 Ca 0.53357558596324 0.92242913316219 0.58560601533586 40.078 > 9 13 Ca 0.05052220078693 0.20214784601308 0.34188518576893 40.078 > 13 14 Ca 0.05052220078693 0.70214784601308 0.34188518576893 40.078 > 13 15 Ca 0.05052220078693 0.20214784601308 0.84188518576893 40.078 > 13 16 Ca 0.05052220078693 0.70214784601308 0.84188518576893 40.078 > 13 17 Ca 0.53357558596324 0.32757086683781 0.33560601533586 40.078 > 17 18 Ca 0.53357558596324 0.82757086683781 0.33560601533586 40.078 > 17 19 Ca 0.53357558596324 0.32757086683781 0.83560601533586 40.078 > 17 20 Ca 0.53357558596324 0.82757086683781 0.83560601533586 40.078 > 17 21 Ca 0.05052220078693 0.04785215398692 0.09188518576893 40.078 > 21 22 Ca 0.05052220078693 0.54785215398692 0.09188518576893 40.078 > 21 23 Ca 0.05052220078693 0.04785215398692 0.59188518576893 40.078 > 21 24 Ca 0.05052220078693 0.54785215398692 0.59188518576893 40.078 > 21 25 Ca 0.81714574238158 0.19056723942485 0.44896246281361 40.078 > 25 26 Ca 0.81714574238158 0.69056723942485 0.44896246281361 40.078 > 25 27 Ca 0.81714574238158 0.19056723942485 0.94896246281361 40.078 > 25 28 Ca 0.81714574238158 0.69056723942485 0.94896246281361 40.078 > 25 29 Ca 0.18285425761842 0.44056723942485 0.30103753718639 40.078 > 29 30 Ca 0.18285425761842 0.94056723942485 0.30103753718639 40.078 > 29 31 Ca 0.18285425761842 0.44056723942485 0.80103753718639 40.078 > 29 32 Ca 0.18285425761842 0.94056723942485 0.80103753718639 40.078 > 29 33 Ca 0.94947779921307 0.45214784601308 0.40811481423107 40.078 > 33 34 Ca 0.94947779921307 0.95214784601308 0.40811481423107 40.078 > 33 35 Ca 0.94947779921307 0.45214784601308 0.90811481423107 40.078 > 33 36 Ca 0.94947779921307 0.95214784601308 0.90811481423107 40.078 > 33 37 Ca 0.18285425761842 0.30943276057515 0.05103753718639 40.078 > 37 38 Ca 0.18285425761842 0.80943276057515 0.05103753718639 40.078 > 37 39 Ca 0.18285425761842 0.30943276057515 0.55103753718639 40.078 > 37 40 Ca 0.18285425761842 0.80943276057515 0.55103753718639 40.078 > 37 41 Ca 0.81714574238158 0.05943276057515 0.19896246281361 40.078 > 41 42 Ca 0.81714574238158 0.55943276057515 0.19896246281361 40.078 > 41 43 Ca 0.81714574238158 0.05943276057515 0.69896246281361 40.078 > 41 44 Ca 0.81714574238158 0.55943276057515 0.69896246281361 40.078 > 41 45 Ca 0.46642441403676 0.07757086683781 0.41439398466414 40.078 > 45 46 Ca 0.46642441403676 0.57757086683781 0.41439398466414 40.078 > 45 47 Ca 0.46642441403676 0.07757086683781 0.91439398466414 40.078 > 45 48 Ca 0.46642441403676 0.57757086683781 0.91439398466414 40.078 > 45 49 Al 0.74185339396271 0.42751382179972 0.49485855643231 26.982 > 49 50 Al 0.74185339396271 0.92751382179972 0.49485855643231 26.982 > 49 51 Al 0.74185339396271 0.42751382179972 0.99485855643231 26.982 > 49 52 Al 0.74185339396271 0.92751382179972 0.99485855643231 26.982 > 49 53 Al 0.38027129072074 0.44399697161912 0.19552890834375 26.982 > 53 54 Al 0.38027129072074 0.94399697161912 0.19552890834375 26.982 > 53 55 Al 0.38027129072074 0.44399697161912 0.69552890834375 26.982 > 53 56 Al 0.38027129072074 0.94399697161912 0.69552890834375 26.982 > 53 57 Al 0.25814660603729 0.07248617820028 0.00514144356769 26.982 > 57 58 Al 0.25814660603729 0.57248617820028 0.00514144356769 26.982 > 57 59 Al 0.25814660603729 0.07248617820028 0.50514144356769 26.982 > 57 60 Al 0.25814660603729 0.57248617820028 0.50514144356769 26.982 > 57 61 Al 0.61972870927926 0.19399697161912 0.05447109165625 26.982 > 61 62 Al 0.61972870927926 0.69399697161912 0.05447109165625 26.982 > 61 63 Al 0.61972870927926 0.19399697161912 0.55447109165625 26.982 > 61 64 Al 0.61972870927926 0.69399697161912 0.55447109165625 26.982 > 61 65 Al 0.25814660603729 0.17751382179972 0.25514144356769 26.982 > 65 66 Al 0.25814660603729 0.67751382179972 0.25514144356769 26.982 > 65 67 Al 0.25814660603729 0.17751382179972 0.75514144356769 26.982 > 65 68 Al 0.25814660603729 0.67751382179972 0.75514144356769 26.982 > 65 69 Al 0.61972870927926 0.05600302838088 0.30447109165625 26.982 > 69 70 Al 0.61972870927926 0.55600302838088 0.30447109165625 26.982 > 69 71 Al 0.61972870927926 0.05600302838088 0.80447109165625 26.982 > 69 72 Al 0.61972870927926 0.55600302838088 0.80447109165625 26.982 > 69 73 Al 0.74185339396271 0.32248617820028 0.24485855643231 26.982 > 73 74 Al 0.74185339396271 0.82248617820028 0.24485855643231 26.982 > 73 75 Al 0.74185339396271 0.32248617820028 0.74485855643231 26.982 > 73 76 Al 0.74185339396271 0.82248617820028 0.74485855643231 26.982 > 73 77 Al 0.38027129072074 0.30600302838088 0.44552890834375 26.982 > 77 78 Al 0.38027129072074 0.80600302838088 0.44552890834375 26.982 > 77 79 Al 0.38027129072074 0.30600302838088 0.94552890834375 26.982 > 77 80 Al 0.38027129072074 0.80600302838088 0.94552890834375 26.982 > 77 81 N 0.05985408568473 0.13143087804831 0.46771646405882 14.007 > 81 82 N 0.05985408568473 0.63143087804831 0.46771646405882 14.007 > 81 83 N 0.05985408568473 0.13143087804831 0.96771646405881 14.007 > 81 84 N 0.05985408568473 0.63143087804831 0.96771646405881 14.007 > 81 85 N 0.39866105024435 0.04870718078312 0.27700905570523 14.007 > 85 86 N 0.39866105024435 0.54870718078312 0.27700905570523 14.007 > 85 87 N 0.39866105024435 0.04870718078312 0.77700905570523 14.007 > 85 88 N 0.39866105024435 0.54870718078312 0.77700905570523 14.007 > 85 89 N 0.70076735979453 0.25536804501290 0.14957591445198 14.007 > 89 90 N 0.70076735979453 0.75536804501290 0.14957591445198 14.007 > 89 91 N 0.70076735979453 0.25536804501290 0.64957591445198 14.007 > 89 92 N 0.70076735979453 0.75536804501290 0.64957591445198 14.007 > 89 93 N 0.60133894975565 0.29870718078312 0.47299094429477 14.007 > 93 94 N 0.60133894975565 0.79870718078312 0.47299094429477 14.007 > 93 95 N 0.60133894975565 0.29870718078312 0.97299094429477 14.007 > 93 96 N 0.60133894975565 0.79870718078312 0.97299094429477 14.007 > 93 97 N 0.39866105024435 0.20129281921688 0.02700905570523 14.007 > 97 98 N 0.39866105024435 0.70129281921688 0.02700905570523 14.007 > 97 99 N 0.39866105024435 0.20129281921688 0.52700905570523 14.007 > 97 100 N 0.39866105024435 0.70129281921688 0.52700905570523 14.007 > 97 101 N 0.29923264020547 0.24463195498710 0.35042408554802 14.007 > 101 102 N 0.29923264020547 0.74463195498710 0.35042408554802 14.007 > 101 103 N 0.29923264020547 0.24463195498710 0.85042408554802 14.007 > 101 104 N 0.29923264020547 0.74463195498710 0.85042408554802 14.007 > 101 105 N 0.70231719468736 0.04709028010161 0.05392258474977 14.007 > 105 106 N 0.70231719468736 0.54709028010161 0.05392258474977 14.007 > 105 107 N 0.70231719468736 0.04709028010161 0.55392258474977 14.007 > 105 108 N 0.70231719468736 0.54709028010161 0.55392258474977 14.007 > 105 109 N 0.94014591431528 0.36856912195169 0.03228353594118 14.007 > 109 110 N 0.94014591431528 0.86856912195169 0.03228353594118 14.007 > 109 111 N 0.94014591431528 0.36856912195169 0.53228353594118 14.007 > 109 112 N 0.94014591431528 0.86856912195169 0.53228353594118 14.007 > 109 113 N 0.70076735979453 0.49463195498710 0.39957591445198 14.007 > 113 114 N 0.70076735979453 0.99463195498710 0.39957591445198 14.007 > 113 115 N 0.70076735979453 0.49463195498710 0.89957591445198 14.007 > 113 116 N 0.70076735979453 0.99463195498710 0.89957591445198 14.007 > 113 117 N 0.94014591431528 0.38143087804831 0.28228353594118 14.007 > 117 118 N 0.94014591431528 0.88143087804831 0.28228353594118 14.007 > 117 119 N 0.94014591431528 0.38143087804831 0.78228353594119 14.007 > 117 120 N 0.94014591431528 0.88143087804831 0.78228353594119 14.007 > 117 121 N 0.05985408568473 0.11856912195169 0.21771646405882 14.007 > 121 122 N 0.05985408568473 0.61856912195169 0.21771646405882 14.007 > 121 123 N 0.05985408568473 0.11856912195169 0.71771646405882 14.007 > 121 124 N 0.05985408568473 0.61856912195169 0.71771646405882 14.007 > 121 125 N 0.60133894975565 0.45129281921688 0.22299094429477 14.007 > 125 126 N 0.60133894975565 0.95129281921688 0.22299094429477 14.007 > 125 127 N 0.60133894975565 0.45129281921688 0.72299094429477 14.007 > 125 128 N 0.60133894975565 0.95129281921688 0.72299094429477 14.007 > 125 129 N 0.29768280531264 0.45290971989839 0.44607741525023 14.007 > 129 130 N 0.29768280531264 0.95290971989839 0.44607741525023 14.007 > 129 131 N 0.29768280531264 0.45290971989839 0.94607741525023 14.007 > 129 132 N 0.29768280531264 0.95290971989839 0.94607741525023 14.007 > 129 133 N 0.29768280531264 0.29709028010161 0.19607741525023 14.007 > 133 134 N 0.29768280531264 0.79709028010161 0.19607741525023 14.007 > 133 135 N 0.29768280531264 0.29709028010161 0.69607741525023 14.007 > 133 136 N 0.29768280531264 0.79709028010161 0.69607741525023 14.007 > 133 137 N 0.70231719468736 0.20290971989839 0.30392258474977 14.007 > 137 138 N 0.70231719468736 0.70290971989839 0.30392258474977 14.007 > 137 139 N 0.70231719468736 0.20290971989839 0.80392258474977 14.007 > 137 140 N 0.70231719468736 0.70290971989839 0.80392258474977 14.007 > 137 141 N 0.29923264020547 0.00536804501290 0.10042408554802 14.007 > 141 142 N 0.29923264020547 0.50536804501290 0.10042408554802 14.007 > 141 143 N 0.29923264020547 0.00536804501290 0.60042408554802 14.007 > 141 144 N 0.29923264020547 0.50536804501290 0.60042408554802 14.007 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.6499764 0.0000000 0.0518993 0.0000000 5.8397205 0.0000000 0.0519002 0.0000000 5.5914086 -------------------------- Born effective charges -------------------------- 1 Ca 2.1612716 0.0769219 -0.0946862 0.0989474 2.2083964 0.0477204 -0.1331593 0.0580920 2.3530330 2 Ca 2.4314012 0.0793003 0.0787501 -0.0370889 2.1066313 -0.1593212 0.0441066 -0.1455582 2.3493047 3 Ca 2.1612716 -0.0769219 -0.0946862 -0.0989474 2.2083964 -0.0477204 -0.1331593 -0.0580920 2.3530330 4 Ca 2.4314012 0.0793003 0.0787501 -0.0370889 2.1066313 -0.1593212 0.0441066 -0.1455582 2.3493047 5 Ca 2.1612716 0.0769219 -0.0946862 0.0989474 2.2083964 0.0477204 -0.1331593 0.0580920 2.3530330 6 Ca 2.4314012 -0.0793003 0.0787501 0.0370889 2.1066313 0.1593212 0.0441066 0.1455582 2.3493047 7 Ca 2.4635428 -0.1219566 0.0168654 -0.0826039 2.3532966 0.2207339 0.0834997 0.2437535 1.9895985 8 Ca 2.4635428 0.1219566 0.0168654 0.0826039 2.3532966 -0.2207339 0.0834997 -0.2437535 1.9895985 9 Ca 2.4314012 -0.0793003 0.0787501 0.0370889 2.1066313 0.1593212 0.0441066 0.1455582 2.3493047 10 Ca 2.4635428 -0.1219566 0.0168654 -0.0826039 2.3532966 0.2207339 0.0834997 0.2437535 1.9895985 11 Ca 2.4635428 0.1219566 0.0168654 0.0826039 2.3532966 -0.2207339 0.0834997 -0.2437535 1.9895985 12 Ca 2.1612716 -0.0769219 -0.0946862 -0.0989474 2.2083964 -0.0477204 -0.1331593 -0.0580920 2.3530330 13 Al 2.4662323 -0.0737217 0.0404536 -0.1853806 2.4724394 -0.0295189 0.0599255 -0.0944234 2.2845335 14 Al 1.9798110 0.3669245 0.1878128 0.2568359 2.3641465 -0.0308503 0.1730155 0.0138808 2.4530927 15 Al 2.4662323 -0.0737217 0.0404536 -0.1853806 2.4724394 -0.0295189 0.0599255 -0.0944234 2.2845335 16 Al 1.9798110 -0.3669245 0.1878128 -0.2568359 2.3641465 0.0308503 0.1730155 -0.0138808 2.4530927 17 Al 2.4662323 0.0737217 0.0404536 0.1853806 2.4724394 0.0295189 0.0599255 0.0944234 2.2845335 18 Al 1.9798110 0.3669245 0.1878128 0.2568359 2.3641465 -0.0308503 0.1730155 0.0138808 2.4530927 19 Al 2.4662323 0.0737217 0.0404536 0.1853806 2.4724394 0.0295189 0.0599255 0.0944234 2.2845335 20 Al 1.9798110 -0.3669245 0.1878128 -0.2568359 2.3641465 0.0308503 0.1730155 -0.0138808 2.4530927 21 N -3.2498384 0.0763914 -0.1654819 0.1525646 -2.8202466 0.0017920 -0.3034296 0.0412749 -2.6713710 22 N -3.0388049 0.1508327 0.0075638 0.3323160 -2.8223409 -0.1293512 -0.0052070 -0.1535085 -2.7687459 23 N -2.6124182 0.0540110 -0.1769412 0.0422737 -2.6527512 -0.3853374 -0.1158218 -0.3090240 -3.3028007 24 N -3.0388049 -0.1508327 0.0075638 -0.3323160 -2.8223409 0.1293512 -0.0052070 0.1535085 -2.7687459 25 N -3.0388049 -0.1508327 0.0075638 -0.3323160 -2.8223409 0.1293512 -0.0052070 0.1535085 -2.7687459 26 N -2.6124182 0.0540110 -0.1769412 0.0422737 -2.6527512 -0.3853374 -0.1158218 -0.3090240 -3.3028007 27 N -2.6011975 0.2980046 0.1056635 0.4516139 -3.2095714 -0.1701122 0.1970703 -0.2086168 -2.6866447 28 N -3.2498384 0.0763914 -0.1654819 0.1525646 -2.8202466 0.0017920 -0.3034296 0.0412749 -2.6713710 29 N -2.6124182 -0.0540110 -0.1769412 -0.0422737 -2.6527512 0.3853374 -0.1158218 0.3090240 -3.3028007 30 N -3.2498384 -0.0763914 -0.1654819 -0.1525646 -2.8202466 -0.0017920 -0.3034296 -0.0412749 -2.6713710 31 N -3.2498384 -0.0763914 -0.1654819 -0.1525646 -2.8202466 -0.0017920 -0.3034296 -0.0412749 -2.6713710 32 N -3.0388049 0.1508327 0.0075638 0.3323160 -2.8223409 -0.1293512 -0.0052070 -0.1535085 -2.7687459 33 N -2.6011975 0.2980046 0.1056635 0.4516139 -3.2095714 -0.1701122 0.1970703 -0.2086168 -2.6866447 34 N -2.6011975 -0.2980046 0.1056635 -0.4516139 -3.2095714 0.1701122 0.1970703 0.2086168 -2.6866447 35 N -2.6011975 -0.2980046 0.1056635 -0.4516139 -3.2095714 0.1701122 0.1970703 0.2086168 -2.6866447 36 N -2.6124182 -0.0540110 -0.1769412 -0.0422737 -2.6527512 0.3853374 -0.1158218 0.3090240 -3.3028007 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xzz) 0.00000000 (xzz) 0.00000000 (xzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 9 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 287, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 100 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 3.096 ( 0.000 0.000 0.000) 0.000 3.391 ( 0.000 0.000 0.000) 0.000 3.479 ( 0.000 0.000 0.000) 0.000 3.765 ( 0.000 0.000 0.000) 0.000 3.833 ( 0.000 0.000 0.000) 0.000 3.876 ( 0.000 0.000 0.000) 0.000 4.032 ( 0.000 0.000 0.000) 0.000 4.414 ( 0.000 0.000 0.000) 0.000 4.566 ( 0.000 0.000 0.000) 0.000 4.762 ( 0.000 0.000 0.000) 0.000 4.827 ( 0.000 0.000 0.000) 0.000 4.939 ( 0.000 0.000 0.000) 0.000 5.022 ( 0.000 0.000 0.000) 0.000 5.155 ( 0.000 0.000 0.000) 0.000 5.258 ( 0.000 0.000 0.000) 0.000 5.551 ( 0.000 0.000 0.000) 0.000 5.628 ( 0.000 0.000 0.000) 0.000 5.722 ( 0.000 0.000 0.000) 0.000 5.855 ( 0.000 0.000 0.000) 0.000 5.893 ( 0.000 0.000 0.000) 0.000 6.022 ( 0.000 0.000 0.000) 0.000 6.070 ( 0.000 0.000 0.000) 0.000 6.202 ( 0.000 0.000 0.000) 0.000 6.366 ( 0.000 0.000 0.000) 0.000 6.436 ( 0.000 0.000 0.000) 0.000 6.644 ( 0.000 0.000 0.000) 0.000 6.696 ( 0.000 0.000 0.000) 0.000 6.777 ( 0.000 0.000 0.000) 0.000 6.954 ( 0.000 0.000 0.000) 0.000 7.015 ( 0.000 0.000 0.000) 0.000 7.105 ( 0.000 0.000 0.000) 0.000 7.199 ( 0.000 0.000 0.000) 0.000 7.348 ( 0.000 0.000 0.000) 0.000 7.510 ( 0.000 0.000 0.000) 0.000 7.531 ( 0.000 0.000 0.000) 0.000 7.716 ( 0.000 0.000 0.000) 0.000 7.724 ( 0.000 0.000 0.000) 0.000 7.892 ( 0.000 0.000 0.000) 0.000 8.032 ( 0.000 0.000 0.000) 0.000 8.050 ( 0.000 0.000 0.000) 0.000 8.114 ( 0.000 0.000 0.000) 0.000 8.268 ( 0.000 0.000 0.000) 0.000 8.518 ( 0.000 0.000 0.000) 0.000 8.686 ( 0.000 0.000 0.000) 0.000 8.762 ( 0.000 0.000 0.000) 0.000 8.828 ( 0.000 0.000 0.000) 0.000 9.090 ( 0.000 0.000 0.000) 0.000 9.139 ( 0.000 0.000 0.000) 0.000 9.255 ( 0.000 0.000 0.000) 0.000 9.317 ( 0.000 0.000 0.000) 0.000 9.461 ( 0.000 0.000 0.000) 0.000 9.686 ( 0.000 0.000 0.000) 0.000 9.839 ( 0.000 0.000 0.000) 0.000 9.901 ( 0.000 0.000 0.000) 0.000 9.964 ( 0.000 0.000 0.000) 0.000 10.440 ( 0.000 0.000 0.000) 0.000 10.581 ( 0.000 0.000 0.000) 0.000 10.612 ( 0.000 0.000 0.000) 0.000 11.013 ( 0.000 0.000 0.000) 0.000 11.031 ( 0.000 0.000 0.000) 0.000 11.180 ( 0.000 0.000 0.000) 0.000 11.254 ( 0.000 0.000 0.000) 0.000 11.608 ( 0.000 0.000 0.000) 0.000 11.701 ( 0.000 0.000 0.000) 0.000 11.769 ( 0.000 0.000 0.000) 0.000 12.208 ( 0.000 0.000 0.000) 0.000 12.287 ( 0.000 0.000 0.000) 0.000 12.436 ( 0.000 0.000 0.000) 0.000 12.462 ( 0.000 0.000 0.000) 0.000 12.611 ( 0.000 0.000 0.000) 0.000 12.968 ( 0.000 0.000 0.000) 0.000 13.086 ( 0.000 0.000 0.000) 0.000 13.104 ( 0.000 0.000 0.000) 0.000 13.515 ( 0.000 0.000 0.000) 0.000 13.858 ( 0.000 0.000 0.000) 0.000 14.519 ( 0.000 0.000 0.000) 0.000 14.681 ( 0.000 0.000 0.000) 0.000 14.975 ( 0.000 0.000 0.000) 0.000 15.089 ( 0.000 0.000 0.000) 0.000 15.101 ( 0.000 0.000 0.000) 0.000 15.371 ( 0.000 0.000 0.000) 0.000 15.555 ( 0.000 0.000 0.000) 0.000 15.694 ( 0.000 0.000 0.000) 0.000 15.721 ( 0.000 0.000 0.000) 0.000 16.137 ( 0.000 0.000 0.000) 0.000 17.241 ( 0.000 0.000 0.000) 0.000 17.428 ( 0.000 0.000 0.000) 0.000 17.796 ( 0.000 0.000 0.000) 0.000 18.349 ( 0.000 0.000 0.000) 0.000 19.202 ( 0.000 0.000 0.000) 0.000 19.409 ( 0.000 0.000 0.000) 0.000 20.420 ( 0.000 0.000 0.000) 0.000 20.448 ( 0.000 0.000 0.000) 0.000 20.599 ( 0.000 0.000 0.000) 0.000 21.286 ( 0.000 0.000 0.000) 0.000 21.576 ( 0.000 0.000 0.000) 0.000 21.903 ( 0.000 0.000 0.000) 0.000 22.537 ( 0.000 0.000 0.000) 0.000 22.563 ( 0.000 0.000 0.000) 0.000 23.143 ( 0.000 0.000 0.000) 0.000 23.252 ( 0.000 0.000 0.000) 0.000 25.749 ( 0.000 0.000 0.000) 0.000 25.952 ( 0.000 0.000 0.000) 0.000 26.086 ( 0.000 0.000 0.000) 0.000 26.783 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 39.019 0.000 2.930) 39.129 0.838 ( 44.045 0.000 8.008) 44.767 1.503 ( 64.897 0.000 46.766) 79.992 3.084 ( -2.194 0.000 -5.782) 6.184 3.390 ( -1.291 0.000 4.615) 4.793 3.485 ( -5.894 0.000 5.899) 8.339 3.736 ( -2.609 0.000 1.947) 3.256 3.800 ( 2.943 0.000 -13.181) 13.506 3.921 ( -15.362 0.000 3.871) 15.843 3.927 ( 3.773 0.000 1.844) 4.199 4.453 ( -9.448 0.000 11.872) 15.172 4.575 ( 2.902 0.000 -0.098) 2.904 4.712 ( 0.615 0.000 -6.711) 6.740 4.766 ( -5.061 0.000 0.517) 5.087 5.030 ( 4.860 0.000 -3.432) 5.950 5.081 ( 7.184 0.000 -5.745) 9.198 5.197 ( 3.488 0.000 1.179) 3.682 5.306 ( 5.347 0.000 -8.449) 9.999 5.485 ( -6.716 0.000 -5.802) 8.875 5.530 ( -3.581 0.000 4.160) 5.489 5.815 ( 3.852 0.000 1.101) 4.006 5.825 ( 0.866 0.000 -11.893) 11.925 5.861 ( -0.319 0.000 -1.329) 1.367 6.050 ( 3.124 0.000 0.235) 3.132 6.095 ( 1.178 0.000 3.017) 3.239 6.286 ( -2.301 0.000 12.613) 12.821 6.364 ( -2.328 0.000 1.859) 2.979 6.416 ( 2.820 0.000 0.629) 2.889 6.643 ( -1.579 0.000 0.320) 1.611 6.770 ( -0.827 0.000 -2.981) 3.093 6.863 ( -14.818 0.000 -0.395) 14.823 6.952 ( 1.444 0.000 -2.046) 2.504 7.117 ( -1.067 0.000 -4.495) 4.620 7.216 ( 4.226 0.000 -2.970) 5.165 7.305 ( -3.024 0.000 19.162) 19.399 7.359 ( 1.840 0.000 1.153) 2.171 7.514 ( -3.937 0.000 -3.222) 5.088 7.569 ( -18.328 0.000 39.127) 43.207 7.699 ( 0.642 0.000 4.004) 4.055 7.751 ( 2.215 0.000 2.210) 3.129 7.948 ( 3.666 0.000 5.528) 6.633 7.979 ( -2.238 0.000 -4.934) 5.418 8.147 ( 5.429 0.000 2.563) 6.004 8.185 ( -13.102 0.000 -2.637) 13.365 8.407 ( -4.090 0.000 -3.825) 5.600 8.621 ( 0.063 0.000 -24.095) 24.095 8.625 ( -1.640 0.000 -6.624) 6.824 8.764 ( -8.622 0.000 1.035) 8.683 8.828 ( 4.027 0.000 -13.072) 13.679 8.855 ( -2.360 0.000 -27.995) 28.095 9.094 ( -4.033 0.000 -2.508) 4.749 9.201 ( -3.176 0.000 2.009) 3.758 9.283 ( -9.660 0.000 5.891) 11.314 9.539 ( 3.849 0.000 6.907) 7.907 9.708 ( 2.200 0.000 0.110) 2.203 9.800 ( -2.408 0.000 -3.312) 4.095 10.073 ( 8.387 0.000 6.188) 10.422 10.147 ( 7.907 0.000 18.234) 19.874 10.448 ( -0.909 0.000 -13.189) 13.220 10.643 ( 10.668 0.000 16.093) 19.308 10.893 ( 3.308 0.000 3.154) 4.571 10.994 ( 1.196 0.000 -7.932) 8.022 11.044 ( 0.394 0.000 6.284) 6.297 11.156 ( -0.632 0.000 0.447) 0.774 11.412 ( 14.975 0.000 8.058) 17.005 11.685 ( -8.063 0.000 11.552) 14.088 11.736 ( 2.277 0.000 -6.646) 7.025 11.794 ( 5.106 0.000 -7.874) 9.384 12.144 ( -6.120 0.000 -4.371) 7.521 12.152 ( -8.981 0.000 7.263) 11.550 12.549 ( -5.117 0.000 3.847) 6.402 12.626 ( 10.907 0.000 3.074) 11.332 12.786 ( 3.749 0.000 1.291) 3.965 12.956 ( -4.140 0.000 3.658) 5.524 13.036 ( -1.284 0.000 -7.316) 7.428 13.324 ( -3.741 0.000 15.216) 15.669 13.714 ( -3.219 0.000 -18.838) 19.111 14.277 ( 19.134 0.000 -18.620) 26.699 14.458 ( -3.492 0.000 -5.439) 6.464 14.746 ( 7.444 0.000 -23.078) 24.249 14.936 ( -3.887 0.000 1.927) 4.339 15.030 ( -5.160 0.000 -0.750) 5.214 15.182 ( 7.397 0.000 -4.197) 8.505 15.343 ( -1.888 0.000 -2.613) 3.224 15.575 ( 1.435 0.000 2.662) 3.024 15.710 ( 0.962 0.000 1.697) 1.951 15.893 ( -0.301 0.000 1.533) 1.562 16.123 ( -0.666 0.000 -1.471) 1.615 17.287 ( 3.982 0.000 2.248) 4.573 17.433 ( 0.600 0.000 -0.156) 0.620 18.323 ( -1.392 0.000 -3.775) 4.024 18.891 ( -13.619 0.000 32.288) 35.043 19.483 ( 5.225 0.000 7.491) 9.133 20.282 ( 0.074 0.000 -12.602) 12.602 20.390 ( -3.070 0.000 -0.191) 3.076 20.535 ( -4.641 0.000 -5.871) 7.484 20.537 ( 8.207 0.000 -3.644) 8.979 21.576 ( -0.007 0.000 0.037) 0.037 21.916 ( 1.324 0.000 0.088) 1.327 21.982 ( -12.834 0.000 26.456) 29.405 22.576 ( 0.117 0.000 3.255) 3.257 22.814 ( 25.178 0.000 -65.577) 70.244 23.145 ( -0.165 0.000 1.111) 1.123 23.240 ( -0.653 0.000 -1.573) 1.704 25.955 ( 0.989 0.000 -1.652) 1.926 26.041 ( -19.789 0.000 48.867) 52.722 26.104 ( 1.922 0.000 -0.139) 1.927 26.772 ( -1.653 0.000 1.223) 2.056 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 35.024 0.000 3.358) 35.185 1.641 ( 40.251 0.000 9.057) 41.257 2.843 ( 42.036 0.000 45.687) 62.083 2.857 ( -17.339 0.000 -10.520) 20.281 3.230 ( -13.643 0.000 -5.135) 14.578 3.386 ( -3.853 0.000 5.210) 6.480 3.581 ( -18.461 0.000 0.215) 18.462 3.783 ( 3.827 0.000 1.435) 4.087 3.852 ( 8.812 0.000 -5.585) 10.433 4.010 ( 2.907 0.000 0.245) 2.917 4.449 ( 0.078 0.000 12.935) 12.936 4.621 ( 2.519 0.000 -6.673) 7.133 4.641 ( -4.784 0.000 0.779) 4.847 4.789 ( 5.245 0.000 -1.290) 5.402 5.033 ( -3.167 0.000 -7.498) 8.140 5.166 ( 5.817 0.000 -4.225) 7.189 5.226 ( -6.475 0.000 -12.377) 13.968 5.275 ( 6.144 0.000 -2.368) 6.585 5.481 ( 10.562 0.000 1.857) 10.724 5.506 ( -3.987 0.000 7.225) 8.252 5.743 ( -1.252 0.000 -7.050) 7.160 5.848 ( -2.376 0.000 -4.115) 4.752 5.872 ( 1.894 0.000 2.424) 3.076 6.075 ( -2.206 0.000 4.494) 5.006 6.107 ( 2.307 0.000 -0.260) 2.321 6.317 ( -6.474 0.000 1.431) 6.630 6.372 ( 4.794 0.000 6.173) 7.816 6.481 ( -15.181 0.000 -9.690) 18.010 6.518 ( 3.636 0.000 2.112) 4.205 6.562 ( -12.699 0.000 -0.685) 12.718 6.713 ( -1.583 0.000 -1.720) 2.337 6.943 ( -1.245 0.000 -5.293) 5.438 7.047 ( -2.131 0.000 -2.737) 3.469 7.270 ( 4.769 0.000 -3.038) 5.654 7.384 ( -0.107 0.000 -8.058) 8.059 7.400 ( 1.771 0.000 2.426) 3.003 7.505 ( 5.747 0.000 13.160) 14.360 7.519 ( -8.114 0.000 18.697) 20.382 7.741 ( -0.023 0.000 1.285) 1.286 7.820 ( 1.833 0.000 3.182) 3.672 7.921 ( -4.149 0.000 -2.418) 4.802 7.948 ( -5.709 0.000 5.421) 7.873 8.042 ( 1.123 0.000 2.981) 3.186 8.153 ( -6.130 0.000 1.640) 6.345 8.318 ( -0.630 0.000 -13.579) 13.593 8.434 ( -8.858 0.000 -4.478) 9.925 8.437 ( -9.610 0.000 -14.145) 17.101 8.615 ( 3.247 0.000 -4.397) 5.466 8.813 ( 1.421 0.000 -5.592) 5.770 8.829 ( 2.414 0.000 -3.727) 4.441 9.024 ( -0.971 0.000 -1.122) 1.484 9.145 ( -7.301 0.000 -0.746) 7.339 9.179 ( -1.297 0.000 2.023) 2.403 9.656 ( 3.446 0.000 6.822) 7.643 9.746 ( 1.763 0.000 -0.097) 1.765 9.748 ( -0.347 0.000 -2.803) 2.825 10.217 ( 2.305 0.000 3.233) 3.971 10.414 ( 10.183 0.000 9.036) 13.614 10.448 ( 9.088 0.000 -8.371) 12.356 10.765 ( -5.461 0.000 8.874) 10.420 10.855 ( -7.241 0.000 4.594) 8.575 10.932 ( -2.254 0.000 -6.133) 6.535 11.109 ( 1.587 0.000 3.162) 3.538 11.244 ( 4.645 0.000 -1.344) 4.835 11.679 ( -0.793 0.000 13.346) 13.370 11.760 ( 9.224 0.000 13.840) 16.632 11.783 ( 5.801 0.000 3.411) 6.730 11.859 ( 14.928 0.000 -17.311) 22.859 12.022 ( -11.076 0.000 8.372) 13.884 12.067 ( 1.363 0.000 -2.789) 3.104 12.529 ( -1.204 0.000 6.437) 6.549 12.694 ( -8.535 0.000 -3.906) 9.387 12.808 ( -3.264 0.000 1.342) 3.529 12.894 ( 1.495 0.000 1.543) 2.148 13.001 ( 0.852 0.000 -4.588) 4.667 13.345 ( -2.080 0.000 4.744) 5.180 13.578 ( 0.300 0.000 -10.348) 10.353 14.361 ( -1.789 0.000 -7.501) 7.712 14.451 ( 9.503 0.000 -6.074) 11.278 14.717 ( 1.548 0.000 -6.812) 6.985 14.870 ( -8.037 0.000 7.228) 10.809 14.947 ( 0.286 0.000 -4.825) 4.834 15.252 ( 3.321 0.000 -3.537) 4.852 15.287 ( -1.848 0.000 -2.606) 3.195 15.632 ( 2.228 0.000 2.560) 3.394 15.742 ( 0.981 0.000 1.780) 2.032 15.897 ( 0.170 0.000 -0.214) 0.274 16.105 ( 0.006 0.000 -1.395) 1.395 17.387 ( 4.488 0.000 2.674) 5.225 17.443 ( 0.568 0.000 -0.136) 0.584 18.257 ( -2.316 0.000 -4.189) 4.787 18.876 ( -5.145 0.000 10.908) 12.060 19.675 ( 8.281 0.000 10.509) 13.379 20.212 ( -1.278 0.000 -4.042) 4.239 20.316 ( -5.200 0.000 -2.032) 5.583 20.383 ( -5.348 0.000 -7.200) 8.968 20.644 ( 5.288 0.000 -0.940) 5.371 21.576 ( -0.020 0.000 0.052) 0.056 21.936 ( -5.543 0.000 7.730) 9.513 21.941 ( 1.255 0.000 0.076) 1.257 22.605 ( -0.022 0.000 4.026) 4.027 22.795 ( 8.500 0.000 -24.169) 25.620 23.155 ( 0.094 0.000 2.020) 2.022 23.211 ( -0.918 0.000 -2.480) 2.645 25.962 ( 1.252 0.000 -2.156) 2.493 26.034 ( -7.532 0.000 17.880) 19.401 26.141 ( 2.124 0.000 -0.207) 2.134 26.748 ( -1.861 0.000 1.293) 2.266 ======================= Grid point 3 (4/100) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 0.000 0.000 0.000) 0.000 2.336 ( 0.000 0.000 0.000) 0.000 2.359 ( -0.000 0.000 -0.000) 0.000 2.852 ( 0.000 0.000 0.000) 0.000 3.376 ( -0.000 0.000 -0.000) 0.000 3.378 ( 0.000 0.000 0.000) 0.000 3.682 ( 0.000 0.000 -0.000) 0.000 3.840 ( 0.000 0.000 0.000) 0.000 3.934 ( 0.000 0.000 0.000) 0.000 4.015 ( 0.000 0.000 0.000) 0.000 4.530 ( 0.000 0.000 0.000) 0.000 4.570 ( -0.000 0.000 0.000) 0.000 4.600 ( 0.000 0.000 -0.000) 0.000 4.839 ( 0.000 0.000 -0.000) 0.000 4.913 ( 0.000 0.000 0.000) 0.000 5.063 ( 0.000 0.000 0.000) 0.000 5.201 ( -0.000 0.000 0.000) 0.000 5.365 ( -0.000 0.000 0.000) 0.000 5.463 ( 0.000 0.000 -0.000) 0.000 5.670 ( 0.000 0.000 0.000) 0.000 5.722 ( 0.000 0.000 0.000) 0.000 5.770 ( 0.000 0.000 -0.000) 0.000 5.951 ( 0.000 0.000 0.000) 0.000 6.074 ( 0.000 0.000 -0.000) 0.000 6.093 ( 0.000 0.000 0.000) 0.000 6.130 ( 0.000 0.000 0.000) 0.000 6.377 ( -0.000 0.000 0.000) 0.000 6.399 ( 0.000 0.000 -0.000) 0.000 6.468 ( 0.000 0.000 0.000) 0.000 6.515 ( 0.000 0.000 0.000) 0.000 6.737 ( 0.000 0.000 0.000) 0.000 6.871 ( 0.000 0.000 0.000) 0.000 7.021 ( 0.000 0.000 0.000) 0.000 7.338 ( -0.000 0.000 0.000) 0.000 7.359 ( 0.000 0.000 -0.000) 0.000 7.361 ( 0.000 0.000 -0.000) 0.000 7.557 ( -0.000 0.000 0.000) 0.000 7.668 ( 0.000 0.000 0.000) 0.000 7.760 ( 0.000 0.000 0.000) 0.000 7.796 ( 0.000 0.000 -0.000) 0.000 7.928 ( 0.000 0.000 0.000) 0.000 7.944 ( 0.000 0.000 -0.000) 0.000 7.947 ( 0.000 0.000 0.000) 0.000 8.129 ( 0.000 0.000 -0.000) 0.000 8.248 ( -0.000 0.000 0.000) 0.000 8.299 ( 0.000 0.000 0.000) 0.000 8.316 ( 0.000 0.000 -0.000) 0.000 8.639 ( 0.000 0.000 0.000) 0.000 8.802 ( 0.000 0.000 0.000) 0.000 8.843 ( 0.000 0.000 0.000) 0.000 9.043 ( 0.000 0.000 0.000) 0.000 9.045 ( -0.000 0.000 -0.000) 0.000 9.177 ( 0.000 0.000 0.000) 0.000 9.719 ( 0.000 0.000 0.000) 0.000 9.740 ( 0.000 0.000 -0.000) 0.000 9.762 ( 0.000 0.000 -0.000) 0.000 10.237 ( 0.000 0.000 0.000) 0.000 10.535 ( 0.000 0.000 0.000) 0.000 10.551 ( 0.000 0.000 -0.000) 0.000 10.732 ( 0.000 0.000 0.000) 0.000 10.784 ( 0.000 0.000 -0.000) 0.000 10.883 ( 0.000 0.000 0.000) 0.000 11.133 ( 0.000 0.000 0.000) 0.000 11.242 ( 0.000 0.000 0.000) 0.000 11.717 ( 0.000 0.000 -0.000) 0.000 11.869 ( 0.000 0.000 0.000) 0.000 11.888 ( 0.000 0.000 0.000) 0.000 11.920 ( 0.000 0.000 -0.000) 0.000 12.002 ( 0.000 0.000 0.000) 0.000 12.177 ( 0.000 0.000 0.000) 0.000 12.479 ( 0.000 0.000 -0.000) 0.000 12.568 ( 0.000 0.000 0.000) 0.000 12.741 ( 0.000 0.000 -0.000) 0.000 12.945 ( 0.000 0.000 -0.000) 0.000 12.982 ( 0.000 0.000 -0.000) 0.000 13.339 ( 0.000 0.000 0.000) 0.000 13.555 ( 0.000 0.000 0.000) 0.000 14.314 ( 0.000 0.000 0.000) 0.000 14.512 ( 0.000 0.000 0.000) 0.000 14.709 ( 0.000 0.000 -0.000) 0.000 14.813 ( 0.000 0.000 0.000) 0.000 14.944 ( 0.000 0.000 0.000) 0.000 15.259 ( 0.000 0.000 -0.000) 0.000 15.264 ( 0.000 0.000 -0.000) 0.000 15.663 ( 0.000 0.000 0.000) 0.000 15.759 ( 0.000 0.000 0.000) 0.000 15.897 ( 0.000 0.000 0.000) 0.000 16.102 ( 0.000 0.000 0.000) 0.000 17.443 ( 0.000 0.000 0.000) 0.000 17.448 ( 0.000 0.000 0.000) 0.000 18.215 ( 0.000 0.000 0.000) 0.000 18.868 ( 0.000 0.000 0.000) 0.000 19.826 ( 0.000 0.000 0.000) 0.000 20.186 ( 0.000 0.000 0.000) 0.000 20.209 ( -0.000 0.000 -0.000) 0.000 20.322 ( 0.000 0.000 0.000) 0.000 20.690 ( 0.000 0.000 0.000) 0.000 21.576 ( 0.000 0.000 0.000) 0.000 21.912 ( 0.000 0.000 0.000) 0.000 21.954 ( 0.000 0.000 0.000) 0.000 22.621 ( 0.000 0.000 0.000) 0.000 22.784 ( 0.000 0.000 -0.000) 0.000 23.174 ( 0.000 0.000 -0.000) 0.000 23.182 ( 0.000 0.000 0.000) 0.000 25.966 ( -0.000 0.000 0.000) 0.000 26.029 ( 0.000 0.000 -0.000) 0.000 26.162 ( 0.000 0.000 0.000) 0.000 26.734 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/100) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 0.000 40.309 0.000) 40.309 1.030 ( 0.000 51.414 0.000) 51.414 1.399 ( 0.000 70.129 0.000) 70.129 3.268 ( 0.000 1.340 0.000) 1.340 3.537 ( 0.000 6.728 0.000) 6.728 3.552 ( 0.000 5.634 0.000) 5.634 3.839 ( 0.000 2.676 0.000) 2.676 3.903 ( 0.000 20.177 0.000) 20.177 3.925 ( 0.000 4.455 0.000) 4.455 4.130 ( 0.000 6.788 0.000) 6.788 4.483 ( 0.000 6.082 0.000) 6.082 4.564 ( 0.000 -0.733 0.000) 0.733 4.790 ( 0.000 4.178 0.000) 4.178 4.818 ( 0.000 -1.739 0.000) 1.739 4.889 ( 0.000 -0.623 0.000) 0.623 5.100 ( 0.000 -5.152 0.000) 5.152 5.102 ( 0.000 5.035 0.000) 5.035 5.293 ( 0.000 0.874 0.000) 0.874 5.489 ( 0.000 -4.219 0.000) 4.219 5.604 ( 0.000 -2.386 0.000) 2.386 5.818 ( 0.000 5.512 0.000) 5.512 5.899 ( 0.000 -0.741 0.000) 0.741 5.907 ( 0.000 -4.533 0.000) 4.533 5.950 ( 0.000 -1.499 0.000) 1.499 6.062 ( 0.000 -1.857 0.000) 1.857 6.247 ( 0.000 0.909 0.000) 0.909 6.289 ( 0.000 -6.085 0.000) 6.085 6.385 ( 0.000 -4.241 0.000) 4.241 6.608 ( 0.000 -6.540 0.000) 6.540 6.624 ( 0.000 -2.250 0.000) 2.250 6.802 ( 0.000 1.203 0.000) 1.203 7.052 ( 0.000 3.912 0.000) 3.912 7.070 ( 0.000 -4.044 0.000) 4.044 7.157 ( 0.000 -13.554 0.000) 13.554 7.220 ( 0.000 3.322 0.000) 3.322 7.358 ( 0.000 -4.809 0.000) 4.809 7.394 ( 0.000 0.726 0.000) 0.726 7.572 ( 0.000 -10.519 0.000) 10.519 7.781 ( 0.000 9.002 0.000) 9.002 7.863 ( 0.000 2.873 0.000) 2.873 7.884 ( 0.000 -12.874 0.000) 12.874 7.976 ( 0.000 -4.434 0.000) 4.434 8.044 ( 0.000 -7.972 0.000) 7.972 8.241 ( 0.000 -7.391 0.000) 7.391 8.287 ( 0.000 3.565 0.000) 3.565 8.609 ( 0.000 6.810 0.000) 6.810 8.723 ( 0.000 -2.381 0.000) 2.381 8.799 ( 0.000 -3.837 0.000) 3.837 8.847 ( 0.000 -6.851 0.000) 6.851 9.203 ( 0.000 8.816 0.000) 8.816 9.258 ( 0.000 3.120 0.000) 3.120 9.280 ( 0.000 -3.316 0.000) 3.316 9.408 ( 0.000 -17.545 0.000) 17.545 9.458 ( 0.000 7.135 0.000) 7.135 9.716 ( 0.000 -0.462 0.000) 0.462 9.908 ( 0.000 17.023 0.000) 17.023 10.154 ( 0.000 14.732 0.000) 14.732 10.174 ( 0.000 11.301 0.000) 11.301 10.513 ( 0.000 -7.378 0.000) 7.378 10.564 ( 0.000 -1.332 0.000) 1.332 10.818 ( 0.000 -14.980 0.000) 14.980 10.924 ( 0.000 11.694 0.000) 11.694 11.063 ( 0.000 3.970 0.000) 3.970 11.173 ( 0.000 2.241 0.000) 2.241 11.245 ( 0.000 -0.838 0.000) 0.838 11.683 ( 0.000 -2.133 0.000) 2.133 11.733 ( 0.000 4.605 0.000) 4.605 11.793 ( 0.000 1.267 0.000) 1.267 12.127 ( 0.000 -7.959 0.000) 7.959 12.239 ( 0.000 -7.092 0.000) 7.092 12.389 ( 0.000 -0.502 0.000) 0.502 12.410 ( 0.000 -2.431 0.000) 2.431 12.609 ( 0.000 -0.782 0.000) 0.782 13.011 ( 0.000 -5.773 0.000) 5.773 13.221 ( 0.000 6.927 0.000) 6.927 13.484 ( 0.000 -2.806 0.000) 2.806 13.838 ( 0.000 -2.318 0.000) 2.318 14.096 ( 0.000 -5.209 0.000) 5.209 14.367 ( 0.000 -19.553 0.000) 19.553 14.452 ( 0.000 -6.513 0.000) 6.513 14.754 ( 0.000 -19.729 0.000) 19.729 15.222 ( 0.000 -4.240 0.000) 4.240 15.370 ( 0.000 17.006 0.000) 17.006 15.494 ( 0.000 4.131 0.000) 4.131 15.604 ( 0.000 -3.929 0.000) 3.929 15.849 ( 0.000 11.996 0.000) 11.996 16.125 ( 0.000 -1.192 0.000) 1.192 16.185 ( 0.000 21.268 0.000) 21.268 17.231 ( 0.000 -0.785 0.000) 0.785 17.394 ( 0.000 -3.521 0.000) 3.521 17.801 ( 0.000 0.563 0.000) 0.563 18.495 ( 0.000 -4.329 0.000) 4.329 19.198 ( 0.000 -0.372 0.000) 0.372 19.489 ( 0.000 -2.192 0.000) 2.192 20.440 ( 0.000 1.889 0.000) 1.889 20.466 ( 0.000 1.647 0.000) 1.647 21.145 ( 0.000 -12.213 0.000) 12.213 21.382 ( 0.000 -11.886 0.000) 11.886 21.762 ( 0.000 6.833 0.000) 6.833 21.967 ( 0.000 4.552 0.000) 4.552 22.556 ( 0.000 2.190 0.000) 2.190 22.594 ( 0.000 2.920 0.000) 2.920 23.310 ( 0.000 5.681 0.000) 5.681 24.038 ( 0.000 -1.511 0.000) 1.511 25.771 ( 0.000 2.188 0.000) 2.188 25.968 ( 0.000 1.681 0.000) 1.681 26.415 ( 0.000 -1.518 0.000) 1.518 26.756 ( 0.000 -2.736 0.000) 2.736 ======================= Grid point 8 (6/100) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 12.842 37.851 19.107) 44.302 1.322 ( 34.625 31.357 8.790) 47.534 1.949 ( 44.360 43.685 24.894) 67.051 3.195 ( -2.764 7.089 -5.660) 9.483 3.470 ( -7.698 3.469 -0.992) 8.502 3.545 ( -6.023 4.519 6.243) 9.782 3.782 ( -3.447 3.182 -6.957) 8.391 3.898 ( -3.578 2.690 2.872) 5.319 3.907 ( 0.186 14.122 0.325) 14.127 4.072 ( -6.548 10.167 -1.224) 12.156 4.483 ( -8.133 0.331 9.085) 12.198 4.517 ( 0.493 0.326 -1.501) 1.613 4.746 ( 0.808 0.774 -2.797) 3.013 4.833 ( 0.100 7.791 -0.133) 7.793 4.946 ( 7.674 -4.040 -3.201) 9.245 5.107 ( 4.965 -1.508 -8.561) 10.010 5.183 ( 1.609 1.545 5.084) 5.552 5.305 ( 4.913 -0.311 -8.650) 9.953 5.496 ( -0.268 1.452 4.326) 4.571 5.531 ( -3.994 -0.646 -1.657) 4.373 5.813 ( -2.188 -0.191 -0.515) 2.255 5.824 ( -0.111 -1.378 -1.644) 2.148 5.882 ( -0.633 1.104 -10.255) 10.334 5.970 ( 2.861 -5.926 -3.448) 7.429 6.117 ( 0.418 -0.851 3.551) 3.675 6.225 ( -2.330 -9.241 0.696) 9.555 6.331 ( -0.321 -0.882 6.745) 6.810 6.397 ( 3.409 -1.870 4.192) 5.718 6.630 ( -1.277 -1.222 -2.091) 2.738 6.631 ( -4.383 -7.783 6.033) 10.779 6.800 ( 2.910 0.785 -2.596) 3.978 6.972 ( -7.607 -0.705 -1.382) 7.764 7.162 ( 5.996 -4.320 1.447) 7.530 7.183 ( 1.478 -9.177 -2.979) 9.761 7.249 ( 1.343 2.254 1.761) 3.160 7.347 ( 1.856 -3.383 -1.839) 4.274 7.425 ( -5.670 1.660 17.627) 18.591 7.519 ( -4.466 -6.313 1.430) 7.864 7.700 ( -6.704 -1.286 -4.077) 7.951 7.836 ( 1.403 6.975 0.819) 7.161 7.944 ( 2.342 -2.119 2.334) 3.927 7.968 ( -3.437 -4.585 3.060) 6.496 8.063 ( 2.267 -4.060 -1.509) 4.889 8.091 ( -3.379 -7.097 5.553) 9.624 8.328 ( 2.559 -3.802 -13.591) 14.343 8.506 ( -7.899 5.577 -1.196) 9.743 8.654 ( -4.407 -3.569 -8.612) 10.311 8.792 ( -5.681 1.774 5.494) 8.100 8.896 ( 2.751 -9.549 1.357) 10.030 8.959 ( -1.778 8.166 -14.707) 16.916 9.163 ( -3.361 -1.252 -1.690) 3.965 9.241 ( -4.352 11.711 -17.420) 21.437 9.415 ( -4.073 6.857 -0.101) 7.976 9.596 ( 1.679 -3.935 9.300) 10.237 9.650 ( -10.256 3.992 3.932) 11.687 9.943 ( -1.090 11.602 1.327) 11.728 10.124 ( 7.608 6.714 5.153) 11.381 10.250 ( 1.922 4.710 3.120) 5.968 10.375 ( -0.456 -1.621 -2.403) 2.934 10.667 ( -4.157 -13.152 -4.844) 14.619 10.825 ( 4.044 5.812 6.390) 9.538 10.887 ( 0.017 -5.528 3.108) 6.341 11.068 ( -0.086 2.955 1.361) 3.254 11.230 ( 6.933 5.533 1.871) 9.066 11.360 ( 13.113 -5.072 2.567) 14.292 11.684 ( 2.221 -3.792 -5.979) 7.420 11.706 ( -6.740 3.712 12.445) 14.632 11.885 ( 2.995 0.503 -1.566) 3.417 12.046 ( -6.798 -5.632 -0.758) 8.861 12.217 ( 0.230 1.181 -0.773) 1.430 12.409 ( -0.634 -10.725 5.200) 11.936 12.537 ( 3.484 -1.560 -1.522) 4.110 12.622 ( 6.065 -3.082 2.531) 7.259 13.051 ( 2.418 -2.186 3.940) 5.114 13.149 ( -3.059 9.259 -7.011) 12.010 13.423 ( -4.757 0.844 10.767) 11.801 13.776 ( -7.124 3.441 -5.666) 9.731 14.234 ( 14.057 -6.604 -14.148) 21.009 14.398 ( -1.322 -6.997 -0.884) 7.175 14.426 ( 5.582 -16.437 -9.419) 19.749 14.722 ( 0.142 -21.070 -1.715) 21.140 15.062 ( -10.519 1.785 -0.364) 10.676 15.322 ( -2.682 11.814 -7.738) 14.375 15.374 ( -2.501 4.390 -1.526) 5.278 15.593 ( 0.167 2.480 1.107) 2.721 15.913 ( -0.955 9.378 10.616) 14.198 16.110 ( -0.457 -0.592 -2.855) 2.952 16.142 ( 2.430 22.742 -9.535) 24.779 17.274 ( 3.744 -1.158 1.364) 4.150 17.335 ( -2.018 -7.558 2.146) 8.112 18.252 ( 7.329 -6.593 1.166) 9.927 18.706 ( 7.160 -16.762 27.274) 32.804 19.330 ( 15.714 -11.538 -3.797) 19.862 19.636 ( 14.416 -12.359 1.485) 19.046 20.407 ( -2.956 0.916 -1.138) 3.298 20.467 ( -0.814 1.365 0.701) 1.737 20.868 ( -16.306 -0.664 -5.059) 17.086 21.537 ( 6.966 -12.273 -0.108) 14.113 21.753 ( -2.348 -0.882 5.428) 5.980 22.032 ( 4.631 5.400 -0.107) 7.114 22.560 ( 1.501 -0.333 -2.686) 3.095 22.632 ( 4.822 0.571 -2.821) 5.616 23.303 ( -0.349 6.106 -0.861) 6.176 23.723 ( -13.446 18.354 -21.568) 31.350 25.853 ( -1.150 -3.715 17.299) 17.730 25.972 ( 2.227 1.190 -4.463) 5.128 26.317 ( -9.409 5.638 7.980) 13.565 26.748 ( -1.523 -2.542 1.507) 3.324 ======================= Grid point 9 (7/100) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 26.417 22.598 10.995) 36.461 1.983 ( 33.555 26.618 6.114) 43.265 2.928 ( 22.530 8.612 37.384) 44.489 3.020 ( -12.015 13.799 -12.506) 22.162 3.270 ( -5.549 3.368 0.576) 6.517 3.418 ( -4.889 4.800 2.013) 7.141 3.589 ( -16.197 2.653 1.238) 16.460 3.880 ( 5.374 -0.120 -3.995) 6.697 3.933 ( 2.741 7.698 -0.598) 8.193 4.026 ( 1.904 9.454 -1.480) 9.757 4.443 ( -5.292 -7.760 -6.691) 11.532 4.485 ( 0.017 3.355 11.340) 11.826 4.776 ( 2.329 2.917 0.780) 3.813 4.852 ( 1.822 7.044 -3.810) 8.213 5.038 ( 3.549 1.582 -6.503) 7.576 5.106 ( -0.605 -8.002 -4.605) 9.253 5.203 ( 2.196 3.720 -0.225) 4.325 5.346 ( 7.287 4.075 -10.257) 13.226 5.440 ( -3.103 0.661 0.790) 3.270 5.639 ( 6.764 7.207 7.948) 12.683 5.746 ( -1.889 -1.044 -1.925) 2.891 5.812 ( -3.928 -1.808 -3.694) 5.687 5.838 ( 0.818 -3.366 -0.679) 3.530 5.986 ( 0.534 -6.544 2.701) 7.099 6.014 ( -6.177 -7.856 -1.290) 10.076 6.297 ( 2.095 -7.854 -3.848) 8.994 6.329 ( -1.141 -5.537 4.043) 6.951 6.427 ( -10.316 -1.013 -4.575) 11.330 6.516 ( -0.206 1.192 3.647) 3.842 6.582 ( -5.032 2.570 0.939) 5.728 6.777 ( -1.381 5.497 -3.698) 6.768 6.889 ( -0.780 -4.666 0.996) 4.834 7.113 ( -3.681 3.031 -7.186) 8.624 7.219 ( -0.477 -7.395 -0.605) 7.435 7.289 ( 1.457 -7.687 7.649) 10.942 7.394 ( 3.694 0.381 -4.695) 5.986 7.488 ( -2.235 1.547 8.725) 9.138 7.505 ( 3.896 2.829 11.450) 12.421 7.635 ( 1.379 -8.136 -6.970) 10.802 7.849 ( -3.449 -2.501 2.369) 4.875 7.896 ( 0.377 -1.292 2.063) 2.464 8.019 ( -1.006 1.279 3.338) 3.714 8.067 ( -3.379 3.676 4.014) 6.406 8.127 ( 2.950 -0.883 3.470) 4.639 8.230 ( 0.894 -3.849 -14.612) 15.137 8.412 ( -3.694 2.088 -0.496) 4.273 8.559 ( -1.438 2.965 -7.872) 8.534 8.641 ( -8.797 5.677 -3.085) 10.915 8.776 ( -6.017 1.963 -8.347) 10.475 9.002 ( 4.913 -1.604 -1.432) 5.362 9.073 ( -6.597 5.727 1.877) 8.936 9.133 ( 2.297 8.943 -6.513) 11.299 9.319 ( -5.856 9.289 -1.003) 11.026 9.550 ( -0.152 -5.583 8.444) 10.124 9.676 ( 0.761 -1.251 -0.962) 1.751 9.958 ( 6.179 7.000 -2.856) 9.764 10.209 ( -5.419 0.465 7.510) 9.273 10.261 ( -0.250 -2.694 -2.345) 3.580 10.419 ( -6.597 -18.229 1.869) 19.476 10.613 ( 10.676 1.354 -0.774) 10.789 10.792 ( -5.108 -5.319 1.403) 7.507 11.044 ( 4.182 -2.364 1.673) 5.087 11.052 ( -0.424 -0.893 4.038) 4.157 11.310 ( 1.733 4.640 -2.429) 5.517 11.635 ( 7.647 -10.191 4.095) 13.383 11.699 ( 5.331 -6.404 -9.078) 12.323 11.737 ( 0.523 5.206 14.966) 15.854 11.903 ( -3.726 -7.938 5.842) 10.537 12.001 ( 6.977 11.244 3.392) 13.660 12.207 ( 0.027 2.484 -2.943) 3.851 12.386 ( -4.460 -8.680 1.535) 9.878 12.552 ( 1.307 1.924 -1.053) 2.554 12.752 ( 3.595 -7.467 0.936) 8.340 13.079 ( 0.754 7.605 -5.450) 9.386 13.126 ( 0.451 8.208 7.513) 11.136 13.429 ( -6.303 4.957 12.022) 14.451 13.579 ( -3.281 2.696 -16.146) 16.695 14.212 ( -0.866 -12.820 -10.892) 16.845 14.431 ( 2.789 -11.592 -4.618) 12.786 14.510 ( 7.506 -2.853 0.682) 8.059 14.763 ( 3.780 -27.273 -0.565) 27.540 14.909 ( -6.988 1.615 -0.246) 7.176 15.223 ( -3.984 12.523 -3.540) 13.610 15.337 ( -0.867 3.122 -1.255) 3.475 15.613 ( 0.975 0.090 1.452) 1.751 15.961 ( -1.101 7.849 8.298) 11.475 16.083 ( -0.384 -1.007 -1.913) 2.195 16.131 ( 2.612 22.642 -7.277) 23.926 17.324 ( -0.252 -10.090 0.234) 10.096 17.361 ( 3.464 -2.197 2.775) 4.953 18.259 ( -0.753 -0.467 -4.046) 4.142 18.861 ( -1.471 -3.101 11.507) 12.008 19.605 ( 14.280 -9.751 4.158) 17.784 19.864 ( 8.017 -19.660 0.945) 21.252 20.323 ( -6.239 -1.499 -0.747) 6.460 20.395 ( -6.924 0.208 -3.331) 7.687 20.658 ( -2.874 0.313 -2.706) 3.959 21.600 ( 1.813 -2.779 -0.867) 3.430 21.760 ( -0.714 -8.512 3.494) 9.229 22.082 ( 1.179 8.722 0.451) 8.813 22.568 ( 0.846 -2.228 -1.123) 2.635 22.694 ( 4.015 -2.393 -3.195) 5.662 23.293 ( -0.008 7.593 -0.740) 7.629 23.449 ( -5.853 17.645 -9.654) 20.947 25.922 ( -2.559 -2.892 11.823) 12.438 25.986 ( 3.187 -1.046 -5.152) 6.148 26.248 ( -3.710 5.871 4.068) 8.049 26.729 ( -1.648 -2.098 1.429) 3.026 ======================= Grid point 10 (8/100) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -0.000 17.676 0.000) 17.676 2.513 ( -0.000 14.803 -0.000) 14.803 2.593 ( 0.000 20.110 0.000) 20.110 2.938 ( 0.000 9.722 0.000) 9.722 3.333 ( 0.000 -3.497 0.000) 3.497 3.362 ( -0.000 -1.112 0.000) 1.112 3.741 ( 0.000 5.676 0.000) 5.676 3.950 ( 0.000 1.317 -0.000) 1.317 3.954 ( -0.000 0.460 0.000) 0.460 4.047 ( 0.000 13.847 -0.000) 13.847 4.294 ( 0.000 -13.043 0.000) 13.043 4.570 ( 0.000 1.065 0.000) 1.065 4.781 ( 0.000 4.453 0.000) 4.453 4.855 ( -0.000 1.548 0.000) 1.548 4.992 ( 0.000 10.598 0.000) 10.598 5.070 ( -0.000 0.363 0.000) 0.363 5.260 ( 0.000 4.832 -0.000) 4.832 5.346 ( -0.000 -2.364 0.000) 2.364 5.464 ( 0.000 1.546 -0.000) 1.546 5.674 ( 0.000 -0.248 -0.000) 0.248 5.713 ( -0.000 -2.021 0.000) 2.021 5.809 ( 0.000 3.571 0.000) 3.571 5.864 ( -0.000 -5.699 0.000) 5.699 5.904 ( 0.000 -5.292 -0.000) 5.292 6.060 ( 0.000 -4.358 -0.000) 4.358 6.213 ( 0.000 -1.558 0.000) 1.558 6.245 ( -0.000 -6.893 -0.000) 6.893 6.387 ( 0.000 -11.896 0.000) 11.896 6.524 ( 0.000 10.934 -0.000) 10.934 6.547 ( -0.000 4.073 0.000) 4.073 6.771 ( 0.000 1.366 0.000) 1.366 6.888 ( -0.000 -2.277 -0.000) 2.277 7.032 ( 0.000 4.466 -0.000) 4.466 7.229 ( 0.000 -10.630 -0.000) 10.630 7.320 ( -0.000 -1.821 0.000) 1.821 7.419 ( -0.000 4.807 0.000) 4.807 7.485 ( 0.000 -11.515 -0.000) 11.515 7.588 ( 0.000 -1.648 -0.000) 1.648 7.683 ( -0.000 -6.091 0.000) 6.091 7.810 ( -0.000 6.381 -0.000) 6.381 7.925 ( 0.000 1.592 0.000) 1.592 7.995 ( 0.000 0.028 0.000) 0.028 8.013 ( -0.000 0.545 0.000) 0.545 8.175 ( -0.000 -3.522 -0.000) 3.522 8.258 ( -0.000 8.437 0.000) 8.437 8.343 ( 0.000 7.975 0.000) 7.975 8.443 ( 0.000 9.812 0.000) 9.812 8.592 ( 0.000 -3.107 0.000) 3.107 8.674 ( 0.000 -2.386 -0.000) 2.386 9.006 ( 0.000 -2.116 0.000) 2.116 9.068 ( 0.000 4.912 -0.000) 4.912 9.170 ( 0.000 15.552 0.000) 15.552 9.207 ( -0.000 3.114 0.000) 3.114 9.626 ( 0.000 -3.365 0.000) 3.365 9.691 ( 0.000 -2.590 -0.000) 2.590 10.022 ( 0.000 4.389 -0.000) 4.389 10.143 ( 0.000 -13.569 -0.000) 13.569 10.230 ( 0.000 -1.493 0.000) 1.493 10.342 ( 0.000 -9.148 0.000) 9.148 10.747 ( 0.000 -7.038 -0.000) 7.038 10.787 ( 0.000 -9.324 -0.000) 9.324 10.977 ( 0.000 8.833 0.000) 8.833 11.128 ( 0.000 -7.252 0.000) 7.252 11.305 ( 0.000 6.737 -0.000) 6.737 11.693 ( -0.000 -4.879 -0.000) 4.879 11.694 ( 0.000 -7.986 0.000) 7.986 11.840 ( 0.000 -10.144 -0.000) 10.144 11.895 ( 0.000 5.173 0.000) 5.173 12.150 ( 0.000 5.094 0.000) 5.094 12.199 ( 0.000 -12.131 0.000) 12.131 12.326 ( -0.000 10.496 -0.000) 10.496 12.564 ( 0.000 2.733 0.000) 2.733 12.762 ( 0.000 -6.324 -0.000) 6.324 13.079 ( 0.000 5.991 0.000) 5.991 13.156 ( 0.000 17.295 0.000) 17.295 13.368 ( 0.000 5.990 -0.000) 5.990 13.520 ( 0.000 -4.622 0.000) 4.622 14.159 ( 0.000 -13.003 0.000) 13.003 14.442 ( 0.000 -13.741 0.000) 13.741 14.587 ( 0.000 0.694 0.000) 0.694 14.797 ( 0.000 -28.608 -0.000) 28.608 14.843 ( 0.000 -0.291 -0.000) 0.291 15.166 ( 0.000 14.792 -0.000) 14.792 15.325 ( 0.000 3.409 0.000) 3.409 15.631 ( 0.000 -1.199 0.000) 1.199 15.982 ( 0.000 6.565 -0.000) 6.565 16.073 ( 0.000 -1.679 0.000) 1.679 16.129 ( 0.000 23.423 0.000) 23.423 17.323 ( 0.000 -10.822 0.000) 10.822 17.407 ( 0.000 -3.007 0.000) 3.007 18.231 ( 0.000 0.665 -0.000) 0.665 18.883 ( 0.000 0.174 -0.000) 0.174 19.806 ( 0.000 -2.229 0.000) 2.229 19.917 ( 0.000 -23.281 0.000) 23.281 20.208 ( -0.000 -1.914 -0.000) 1.914 20.317 ( 0.000 -0.496 0.000) 0.496 20.644 ( 0.000 -1.166 0.000) 1.166 21.611 ( 0.000 -0.093 0.000) 0.093 21.767 ( 0.000 -9.858 0.000) 9.858 22.092 ( 0.000 10.174 0.000) 10.174 22.572 ( 0.000 -2.886 -0.000) 2.886 22.719 ( -0.000 -2.844 0.000) 2.844 23.294 ( 0.000 9.461 0.000) 9.461 23.363 ( -0.000 13.855 -0.000) 13.855 25.938 ( 0.000 -1.228 -0.000) 1.228 25.999 ( 0.000 -2.495 0.000) 2.495 26.231 ( -0.000 5.063 -0.000) 5.063 26.718 ( 0.000 -1.849 0.000) 1.849 ======================= Grid point 14 (9/100) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 0.000 38.777 0.000) 38.777 1.947 ( 0.000 42.863 0.000) 42.863 2.634 ( 0.000 54.615 0.000) 54.615 3.331 ( 0.000 6.763 0.000) 6.763 3.603 ( 0.000 3.147 0.000) 3.147 3.609 ( 0.000 -0.974 0.000) 0.974 3.963 ( 0.000 8.330 0.000) 8.330 3.972 ( 0.000 1.518 0.000) 1.518 4.183 ( 0.000 -1.199 0.000) 1.199 4.456 ( 0.000 24.499 0.000) 24.499 4.576 ( 0.000 2.125 0.000) 2.125 4.602 ( 0.000 3.882 0.000) 3.882 4.814 ( 0.000 4.860 0.000) 4.860 4.909 ( 0.000 6.192 0.000) 6.192 4.950 ( 0.000 7.021 0.000) 7.021 5.030 ( 0.000 -0.343 0.000) 0.343 5.183 ( 0.000 2.834 0.000) 2.834 5.265 ( 0.000 -1.697 0.000) 1.697 5.416 ( 0.000 -3.059 0.000) 3.059 5.492 ( 0.000 -9.810 0.000) 9.810 5.758 ( 0.000 -9.182 0.000) 9.182 5.834 ( 0.000 -2.035 0.000) 2.035 5.838 ( 0.000 -4.816 0.000) 4.816 5.968 ( 0.000 -5.411 0.000) 5.411 6.033 ( 0.000 2.157 0.000) 2.157 6.243 ( 0.000 0.325 0.000) 0.325 6.258 ( 0.000 2.694 0.000) 2.694 6.352 ( 0.000 4.613 0.000) 4.613 6.495 ( 0.000 -5.541 0.000) 5.541 6.574 ( 0.000 -2.423 0.000) 2.423 6.776 ( 0.000 -5.833 0.000) 5.833 6.891 ( 0.000 -7.495 0.000) 7.495 7.090 ( 0.000 4.304 0.000) 4.304 7.154 ( 0.000 5.366 0.000) 5.366 7.226 ( 0.000 -12.471 0.000) 12.471 7.244 ( 0.000 -7.464 0.000) 7.464 7.347 ( 0.000 8.409 0.000) 8.409 7.465 ( 0.000 -4.875 0.000) 4.875 7.576 ( 0.000 -13.634 0.000) 13.634 7.832 ( 0.000 -4.030 0.000) 4.030 7.836 ( 0.000 -7.358 0.000) 7.358 7.988 ( 0.000 4.889 0.000) 4.889 7.996 ( 0.000 5.975 0.000) 5.975 8.100 ( 0.000 -2.678 0.000) 2.678 8.364 ( 0.000 2.448 0.000) 2.448 8.662 ( 0.000 -1.670 0.000) 1.670 8.681 ( 0.000 0.411 0.000) 0.411 8.758 ( 0.000 -1.493 0.000) 1.493 8.879 ( 0.000 1.515 0.000) 1.515 9.036 ( 0.000 -9.900 0.000) 9.900 9.233 ( 0.000 -3.587 0.000) 3.587 9.270 ( 0.000 -10.255 0.000) 10.255 9.281 ( 0.000 0.895 0.000) 0.895 9.522 ( 0.000 7.276 0.000) 7.276 9.903 ( 0.000 13.870 0.000) 13.870 10.215 ( 0.000 -9.198 0.000) 9.198 10.216 ( 0.000 7.998 0.000) 7.998 10.354 ( 0.000 10.864 0.000) 10.864 10.501 ( 0.000 8.927 0.000) 8.927 10.568 ( 0.000 2.236 0.000) 2.236 10.616 ( 0.000 -5.384 0.000) 5.384 11.071 ( 0.000 2.145 0.000) 2.145 11.159 ( 0.000 1.298 0.000) 1.298 11.235 ( 0.000 2.581 0.000) 2.581 11.239 ( 0.000 1.202 0.000) 1.202 11.547 ( 0.000 -20.137 0.000) 20.137 11.636 ( 0.000 -2.028 0.000) 2.028 11.841 ( 0.000 0.609 0.000) 0.609 11.960 ( 0.000 -6.075 0.000) 6.075 12.063 ( 0.000 -6.851 0.000) 6.851 12.339 ( 0.000 -5.810 0.000) 5.810 12.552 ( 0.000 12.868 0.000) 12.868 12.563 ( 0.000 -3.640 0.000) 3.640 12.856 ( 0.000 -9.383 0.000) 9.383 13.185 ( 0.000 -11.638 0.000) 11.638 13.510 ( 0.000 6.082 0.000) 6.082 13.751 ( 0.000 -6.709 0.000) 6.709 13.961 ( 0.000 -7.501 0.000) 7.501 14.081 ( 0.000 -8.434 0.000) 8.434 14.372 ( 0.000 -0.744 0.000) 0.744 14.445 ( 0.000 -10.855 0.000) 10.855 15.139 ( 0.000 -5.541 0.000) 5.541 15.396 ( 0.000 -7.553 0.000) 7.553 15.624 ( 0.000 8.636 0.000) 8.636 15.702 ( 0.000 8.737 0.000) 8.737 16.082 ( 0.000 0.468 0.000) 0.468 16.132 ( 0.000 12.473 0.000) 12.473 16.573 ( 0.000 17.755 0.000) 17.755 17.219 ( 0.000 -0.347 0.000) 0.347 17.293 ( 0.000 -6.871 0.000) 6.871 17.817 ( 0.000 1.155 0.000) 1.155 18.381 ( 0.000 -7.133 0.000) 7.133 19.195 ( 0.000 0.309 0.000) 0.309 19.433 ( 0.000 -3.387 0.000) 3.387 20.480 ( 0.000 1.765 0.000) 1.765 20.499 ( 0.000 1.421 0.000) 1.421 20.901 ( 0.000 -11.417 0.000) 11.417 21.152 ( 0.000 -11.498 0.000) 11.498 21.868 ( 0.000 4.338 0.000) 4.338 22.025 ( 0.000 1.237 0.000) 1.237 22.624 ( 0.000 4.493 0.000) 4.493 22.661 ( 0.000 3.714 0.000) 3.714 23.449 ( 0.000 8.140 0.000) 8.140 23.998 ( 0.000 -2.551 0.000) 2.551 25.831 ( 0.000 3.997 0.000) 3.997 26.017 ( 0.000 3.359 0.000) 3.359 26.372 ( 0.000 -2.936 0.000) 2.936 26.680 ( 0.000 -5.127 0.000) 5.127 ======================= Grid point 15 (10/100) ======================= q-point: ( 0.17 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 14.066 29.813 16.909) 37.048 2.024 ( 11.949 38.448 4.200) 40.481 2.846 ( 13.631 38.688 14.808) 43.610 3.326 ( 1.929 11.129 -2.962) 11.677 3.515 ( -10.012 2.393 -3.770) 10.962 3.614 ( -2.485 1.541 5.429) 6.166 3.838 ( -5.672 -1.086 -4.995) 7.635 3.931 ( -3.994 8.459 -0.304) 9.359 4.140 ( -8.117 3.403 0.048) 8.802 4.400 ( -4.740 16.007 -6.292) 17.841 4.535 ( -5.018 -0.537 -3.604) 6.202 4.568 ( -1.788 11.200 6.470) 13.058 4.834 ( -2.836 5.965 -0.107) 6.606 4.893 ( 3.817 2.530 2.294) 5.121 4.957 ( 9.428 4.826 -10.112) 14.643 5.079 ( -2.825 -0.211 -2.363) 3.689 5.182 ( 0.516 -4.091 6.576) 7.762 5.312 ( 8.937 1.187 -10.122) 13.555 5.473 ( 3.434 0.086 2.134) 4.044 5.559 ( 5.406 -0.721 5.358) 7.646 5.716 ( -1.971 -10.959 -4.142) 11.880 5.776 ( -3.445 -3.929 0.182) 5.229 5.827 ( 1.560 -3.576 -5.560) 6.792 5.912 ( -3.260 -2.251 -2.246) 4.554 6.063 ( 0.812 -4.574 -5.122) 6.915 6.122 ( -7.387 4.588 1.169) 8.774 6.296 ( -0.538 -1.640 0.070) 1.727 6.407 ( 4.329 2.735 8.483) 9.909 6.529 ( -2.542 -2.939 3.387) 5.155 6.614 ( 3.695 -1.686 0.141) 4.064 6.778 ( -1.527 -3.840 0.238) 4.140 6.899 ( -0.296 -8.322 4.209) 9.330 7.003 ( -3.787 -2.012 -0.493) 4.316 7.143 ( -0.617 -1.194 -2.748) 3.059 7.277 ( 4.825 -2.769 2.958) 6.301 7.299 ( -3.553 -2.190 1.136) 4.326 7.434 ( 3.311 -4.153 0.195) 5.315 7.462 ( 8.187 8.740 6.326) 13.543 7.612 ( 5.828 -8.454 -8.020) 13.029 7.806 ( 1.485 -8.075 -2.095) 8.474 7.905 ( -6.690 3.328 5.042) 9.014 7.917 ( -4.705 -3.253 7.472) 9.410 7.999 ( 0.011 0.963 0.228) 0.990 8.035 ( 2.105 -1.557 -9.994) 10.331 8.324 ( 0.434 2.501 -10.943) 11.234 8.574 ( -4.980 1.162 -3.634) 6.274 8.641 ( 1.256 0.287 0.735) 1.483 8.763 ( -9.313 -3.349 6.329) 11.747 8.838 ( 1.703 3.203 -0.069) 3.629 9.070 ( -3.857 -1.461 -6.432) 7.640 9.162 ( 4.711 2.604 7.511) 9.240 9.297 ( -0.461 -0.563 3.550) 3.624 9.441 ( 0.250 -4.912 1.343) 5.098 9.541 ( 7.348 -2.379 -4.992) 9.196 9.818 ( -10.518 16.048 0.351) 19.191 10.083 ( -6.261 -2.142 2.913) 7.230 10.238 ( -1.950 3.843 -5.316) 6.843 10.270 ( -9.705 4.016 -8.187) 13.316 10.411 ( -1.004 -1.245 -3.119) 3.505 10.534 ( 1.259 2.958 5.494) 6.365 10.758 ( 2.467 -4.862 3.056) 6.250 10.944 ( -11.079 4.147 1.430) 11.916 11.141 ( 0.168 1.369 -1.726) 2.209 11.245 ( 3.748 -8.037 -1.390) 8.976 11.314 ( 4.991 1.960 3.106) 6.197 11.576 ( -2.580 -12.886 -0.516) 13.152 11.636 ( 6.925 -7.507 -1.214) 10.285 11.788 ( -8.439 -4.505 11.407) 14.887 12.031 ( 7.033 -0.476 -3.453) 7.849 12.132 ( 3.749 0.316 5.591) 6.739 12.340 ( -1.073 -5.838 1.193) 6.055 12.566 ( 2.359 0.086 -1.122) 2.614 12.627 ( 8.097 8.851 -2.996) 12.365 12.938 ( 5.203 -8.634 6.257) 11.865 13.245 ( 6.441 -7.170 -1.936) 9.831 13.401 ( -8.374 4.858 1.664) 9.823 13.762 ( -0.834 -3.995 2.058) 4.571 13.995 ( 3.578 -13.703 -9.229) 16.904 14.150 ( 5.564 -8.765 -3.908) 11.093 14.360 ( 2.556 -7.030 -6.383) 9.834 14.428 ( -3.046 -1.916 7.136) 7.991 15.055 ( -7.746 -2.458 0.186) 8.129 15.364 ( -0.575 -2.278 -2.839) 3.685 15.586 ( -4.904 10.010 0.073) 11.147 15.672 ( -2.114 6.398 0.463) 6.754 16.039 ( -3.610 -0.572 -0.121) 3.657 16.153 ( 1.162 10.218 1.901) 10.458 16.558 ( 1.052 18.315 -6.606) 19.498 17.188 ( -3.584 -6.398 -1.574) 7.501 17.272 ( 1.357 -0.069 3.051) 3.340 18.105 ( 16.020 -7.872 4.778) 18.478 18.429 ( 5.743 -11.445 6.500) 14.360 19.237 ( 6.034 -0.559 -2.211) 6.451 19.514 ( 6.538 -4.534 4.310) 9.049 20.418 ( -6.099 -0.160 -0.279) 6.107 20.490 ( -2.998 0.454 0.965) 3.182 20.777 ( -8.430 -5.073 -2.385) 10.124 21.243 ( 7.298 -14.665 -1.223) 16.426 21.832 ( -2.843 5.099 0.866) 5.902 22.093 ( 5.831 0.720 -0.461) 5.893 22.610 ( -1.052 4.619 -0.172) 4.741 22.676 ( 1.103 3.001 0.529) 3.240 23.448 ( 0.184 8.306 -0.341) 8.315 23.888 ( -7.144 2.596 -9.072) 11.835 25.853 ( -0.190 2.513 6.301) 6.786 26.011 ( 0.859 2.907 -3.881) 4.925 26.349 ( -3.287 -0.982 3.116) 4.634 26.675 ( -1.099 -4.979 1.449) 5.301 ======================= Grid point 16 (11/100) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 14.309 24.948 10.721) 30.694 2.458 ( 24.910 21.626 8.652) 34.103 3.056 ( -5.000 1.795 13.011) 14.054 3.231 ( -13.813 2.774 -9.286) 16.874 3.372 ( -1.953 11.663 1.437) 11.912 3.640 ( 2.787 11.095 13.494) 17.690 3.747 ( -16.241 13.403 -3.310) 21.316 3.841 ( 8.920 4.951 -1.540) 10.317 3.991 ( -3.403 0.713 -1.566) 3.813 4.306 ( 1.273 10.180 -9.476) 13.966 4.371 ( -8.769 1.161 -4.983) 10.153 4.623 ( 0.738 11.189 8.500) 14.071 4.818 ( -0.011 1.591 -1.898) 2.477 4.924 ( 2.032 -2.710 -2.567) 4.250 4.957 ( -6.368 -3.311 -0.448) 7.192 5.142 ( 15.261 7.892 -9.856) 19.807 5.249 ( 1.481 0.146 4.875) 5.097 5.392 ( 2.949 -2.404 -3.049) 4.875 5.511 ( 5.037 7.069 -6.187) 10.659 5.644 ( -2.621 -8.667 1.564) 9.188 5.685 ( -0.656 1.492 1.224) 2.038 5.780 ( 2.280 -2.331 1.483) 3.582 5.840 ( 2.547 -4.327 -1.786) 5.329 5.872 ( 2.020 -1.212 -2.267) 3.269 5.965 ( -4.121 -0.307 3.208) 5.231 6.083 ( 1.290 -1.782 -5.093) 5.548 6.248 ( -6.963 -2.933 3.134) 8.180 6.414 ( -11.274 0.218 -0.461) 11.286 6.548 ( 4.565 0.207 5.005) 6.777 6.635 ( -0.584 2.431 2.129) 3.284 6.767 ( 0.307 -5.774 0.847) 5.844 6.844 ( -2.517 -2.120 -8.470) 9.087 7.000 ( -0.841 -8.530 6.457) 10.731 7.178 ( 2.753 1.905 0.119) 3.350 7.203 ( -4.184 -1.940 2.862) 5.427 7.320 ( -0.324 -8.922 -2.559) 9.287 7.539 ( 7.730 3.224 -3.489) 9.073 7.595 ( -0.340 2.021 4.360) 4.818 7.674 ( -5.203 11.315 0.381) 12.460 7.756 ( 3.178 -1.858 2.701) 4.566 7.809 ( 1.292 -6.269 -0.024) 6.400 8.002 ( 3.700 0.388 -1.883) 4.170 8.032 ( 3.745 -5.925 -6.066) 9.270 8.080 ( 9.396 -5.334 5.609) 12.173 8.289 ( 1.129 3.244 -3.335) 4.787 8.412 ( -10.025 -0.185 0.583) 10.043 8.697 ( -1.129 4.223 0.994) 4.483 8.723 ( 1.585 8.884 2.156) 9.278 8.799 ( -5.716 0.218 -7.460) 9.401 8.997 ( 4.713 0.623 -4.660) 6.657 9.212 ( -8.520 10.135 5.455) 14.321 9.286 ( 6.506 5.081 -6.372) 10.429 9.409 ( -6.404 0.479 4.577) 7.886 9.564 ( -7.033 1.986 1.205) 7.407 9.656 ( -1.402 1.227 3.255) 3.750 9.928 ( -15.376 -4.879 -7.512) 17.795 10.108 ( 6.733 -0.066 -2.247) 7.098 10.234 ( 1.780 -1.500 -4.008) 4.635 10.412 ( -1.769 -1.809 5.781) 6.311 10.608 ( 1.056 4.266 6.150) 7.559 10.655 ( -10.308 -4.814 -1.566) 11.484 10.857 ( -0.977 -10.304 0.506) 10.363 11.096 ( -2.395 -2.705 -5.338) 6.446 11.344 ( 7.009 -5.727 -1.068) 9.114 11.405 ( 1.589 -9.508 8.139) 12.616 11.537 ( 1.752 -9.533 -7.213) 12.082 11.664 ( -5.863 -12.981 3.033) 14.563 11.884 ( 7.951 2.896 9.826) 12.967 12.088 ( 2.470 -0.128 -1.829) 3.076 12.211 ( -0.651 3.372 2.410) 4.195 12.354 ( 3.305 -2.448 3.192) 5.206 12.640 ( 6.031 6.015 0.587) 8.538 12.747 ( 6.091 9.054 -2.512) 11.197 13.044 ( 2.219 -5.754 1.425) 6.329 13.325 ( -1.763 -11.491 4.064) 12.316 13.360 ( 4.584 9.897 4.269) 11.713 13.693 ( -6.959 3.369 -3.782) 8.607 13.947 ( 0.545 -13.310 -9.729) 16.496 14.171 ( 2.634 -11.815 -5.938) 13.483 14.278 ( -5.649 -16.952 -0.775) 17.885 14.554 ( 7.960 3.753 3.057) 9.316 14.940 ( -4.979 1.285 0.552) 5.171 15.364 ( 1.199 1.323 0.483) 1.850 15.486 ( -4.787 10.330 -1.730) 11.516 15.641 ( -1.697 3.573 0.464) 3.983 15.984 ( -2.167 -3.685 -0.609) 4.318 16.182 ( 0.157 9.653 2.401) 9.949 16.530 ( 0.697 17.153 -4.807) 17.827 17.133 ( -1.943 -8.468 -0.094) 8.689 17.331 ( 2.348 -0.459 1.988) 3.111 18.221 ( 1.384 -3.478 -2.865) 4.714 18.661 ( 7.926 -17.966 9.417) 21.778 19.385 ( 12.514 -5.717 -3.613) 14.224 19.673 ( 5.221 -5.368 7.352) 10.494 20.267 ( -9.942 -3.824 -0.324) 10.657 20.386 ( -7.379 -1.309 -1.560) 7.655 20.678 ( -0.729 2.125 -2.601) 3.438 21.341 ( 4.163 -16.162 -0.425) 16.695 21.803 ( -1.115 6.041 0.676) 6.180 22.179 ( 3.793 0.837 -0.293) 3.896 22.592 ( -0.728 4.634 -0.120) 4.692 22.698 ( 0.783 1.734 0.509) 1.970 23.457 ( 1.044 8.706 0.291) 8.773 23.696 ( -6.504 8.131 -7.791) 13.004 25.903 ( -0.465 0.857 8.911) 8.964 25.992 ( 1.297 1.621 -7.224) 7.516 26.317 ( -2.411 1.326 2.596) 3.783 26.664 ( -1.155 -4.593 1.409) 4.941 ======================= Grid point 17 (12/100) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( -0.000 17.590 0.000) 17.590 2.781 ( 0.000 11.035 -0.000) 11.035 2.885 ( -0.000 8.081 0.000) 8.081 3.154 ( 0.000 1.342 0.000) 1.342 3.378 ( 0.000 4.688 0.000) 4.688 3.423 ( -0.000 21.923 0.000) 21.923 3.746 ( 0.000 -4.643 0.000) 4.643 3.963 ( 0.000 -1.206 -0.000) 1.206 4.108 ( 0.000 -3.634 0.000) 3.634 4.112 ( -0.000 16.729 -0.000) 16.729 4.325 ( 0.000 9.581 -0.000) 9.581 4.678 ( 0.000 10.343 0.000) 10.343 4.786 ( -0.000 -1.977 -0.000) 1.977 4.900 ( -0.000 3.467 0.000) 3.467 4.943 ( 0.000 -8.967 -0.000) 8.967 5.268 ( -0.000 -4.699 0.000) 4.699 5.283 ( 0.000 5.966 -0.000) 5.966 5.387 ( 0.000 12.003 0.000) 12.003 5.531 ( 0.000 2.640 -0.000) 2.640 5.628 ( -0.000 -9.257 0.000) 9.257 5.720 ( -0.000 6.851 -0.000) 6.851 5.731 ( 0.000 -0.989 0.000) 0.989 5.849 ( 0.000 2.294 0.000) 2.294 5.908 ( 0.000 0.159 -0.000) 0.159 6.040 ( 0.000 -14.326 0.000) 14.326 6.070 ( -0.000 1.182 -0.000) 1.182 6.172 ( 0.000 3.842 0.000) 3.842 6.221 ( -0.000 -2.524 0.000) 2.524 6.611 ( 0.000 1.314 0.000) 1.314 6.661 ( -0.000 1.543 -0.000) 1.543 6.764 ( 0.000 -0.436 0.000) 0.436 6.785 ( 0.000 -6.066 -0.000) 6.066 7.027 ( 0.000 -8.826 -0.000) 8.826 7.139 ( -0.000 1.882 0.000) 1.882 7.245 ( 0.000 -3.333 0.000) 3.333 7.290 ( -0.000 -7.570 0.000) 7.570 7.552 ( 0.000 6.409 -0.000) 6.409 7.624 ( 0.000 1.258 -0.000) 1.258 7.643 ( -0.000 6.484 0.000) 6.484 7.732 ( -0.000 -8.000 0.000) 8.000 7.904 ( 0.000 -4.838 0.000) 4.838 8.015 ( 0.000 2.742 -0.000) 2.742 8.129 ( 0.000 0.098 -0.000) 0.098 8.136 ( -0.000 3.724 0.000) 3.724 8.278 ( 0.000 -11.018 -0.000) 11.018 8.411 ( 0.000 5.739 0.000) 5.739 8.592 ( 0.000 5.382 0.000) 5.382 8.651 ( 0.000 -0.632 0.000) 0.632 8.822 ( 0.000 23.575 0.000) 23.575 9.037 ( -0.000 6.453 0.000) 6.453 9.139 ( 0.000 3.081 -0.000) 3.081 9.271 ( -0.000 2.788 0.000) 2.788 9.403 ( 0.000 7.216 0.000) 7.216 9.560 ( -0.000 -10.986 -0.000) 10.986 9.670 ( -0.000 -6.397 0.000) 6.397 9.676 ( 0.000 2.874 -0.000) 2.874 10.169 ( 0.000 -6.026 -0.000) 6.026 10.287 ( -0.000 3.056 -0.000) 3.056 10.381 ( 0.000 6.497 -0.000) 6.497 10.540 ( 0.000 -11.490 0.000) 11.490 10.646 ( -0.000 2.824 -0.000) 2.824 10.853 ( 0.000 -16.732 0.000) 16.732 11.041 ( 0.000 -6.197 0.000) 6.197 11.415 ( 0.000 1.386 0.000) 1.386 11.461 ( 0.000 -14.337 -0.000) 14.337 11.551 ( -0.000 -7.433 0.000) 7.433 11.585 ( 0.000 -15.939 -0.000) 15.939 11.977 ( 0.000 -4.281 0.000) 4.281 12.153 ( 0.000 15.275 0.000) 15.275 12.164 ( -0.000 -8.078 -0.000) 8.078 12.426 ( -0.000 -0.750 -0.000) 0.750 12.736 ( 0.000 13.271 0.000) 13.271 12.772 ( -0.000 8.794 -0.000) 8.794 13.058 ( 0.000 -4.877 0.000) 4.877 13.325 ( 0.000 -13.659 -0.000) 13.659 13.431 ( 0.000 6.376 0.000) 6.376 13.590 ( -0.000 13.608 0.000) 13.608 13.909 ( 0.000 -12.223 0.000) 12.223 14.172 ( -0.000 -10.017 0.000) 10.017 14.225 ( 0.000 -25.982 -0.000) 25.982 14.646 ( 0.000 4.000 0.000) 4.000 14.895 ( 0.000 2.899 -0.000) 2.899 15.392 ( 0.000 2.156 0.000) 2.156 15.422 ( -0.000 10.871 -0.000) 10.871 15.627 ( 0.000 2.062 -0.000) 2.062 15.961 ( 0.000 -4.840 0.000) 4.840 16.191 ( 0.000 9.509 -0.000) 9.509 16.520 ( 0.000 16.299 -0.000) 16.299 17.116 ( 0.000 -9.095 0.000) 9.095 17.361 ( 0.000 -1.056 0.000) 1.056 18.216 ( 0.000 -2.310 0.000) 2.310 18.761 ( 0.000 -15.785 0.000) 15.785 19.525 ( 0.000 -11.340 0.000) 11.340 19.743 ( 0.000 -4.058 0.000) 4.058 20.156 ( -0.000 -3.156 -0.000) 3.156 20.295 ( 0.000 -2.146 0.000) 2.146 20.670 ( 0.000 3.134 0.000) 3.134 21.376 ( 0.000 -16.284 0.000) 16.284 21.797 ( 0.000 6.402 0.000) 6.402 22.212 ( 0.000 1.218 -0.000) 1.218 22.585 ( 0.000 4.603 -0.000) 4.603 22.707 ( -0.000 1.096 0.000) 1.096 23.479 ( 0.000 8.888 0.000) 8.888 23.596 ( -0.000 9.563 -0.000) 9.563 25.948 ( 0.000 2.273 -0.000) 2.273 25.960 ( -0.000 -1.019 0.000) 1.019 26.305 ( -0.000 2.091 -0.000) 2.091 26.658 ( 0.000 -4.372 0.000) 4.372 ======================= Grid point 21 (13/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 0.000 32.922 0.000) 32.922 2.655 ( 0.000 30.082 0.000) 30.082 3.192 ( 0.000 4.924 0.000) 4.924 3.490 ( 0.000 -9.683 0.000) 9.683 3.703 ( 0.000 7.532 0.000) 7.532 3.780 ( 0.000 35.236 0.000) 35.236 3.997 ( 0.000 1.589 0.000) 1.589 4.047 ( 0.000 -0.060 0.000) 0.060 4.215 ( 0.000 6.709 0.000) 6.709 4.563 ( 0.000 -9.289 0.000) 9.289 4.565 ( 0.000 -3.201 0.000) 3.201 4.615 ( 0.000 0.696 0.000) 0.696 4.849 ( 0.000 -8.190 0.000) 8.190 4.955 ( 0.000 -3.250 0.000) 3.250 5.042 ( 0.000 -1.756 0.000) 1.756 5.137 ( 0.000 1.859 0.000) 1.859 5.232 ( 0.000 7.974 0.000) 7.974 5.326 ( 0.000 6.636 0.000) 6.636 5.423 ( 0.000 2.069 0.000) 2.069 5.503 ( 0.000 15.579 0.000) 15.579 5.649 ( 0.000 5.333 0.000) 5.333 5.671 ( 0.000 -13.029 0.000) 13.029 5.735 ( 0.000 -10.240 0.000) 10.240 5.910 ( 0.000 -1.670 0.000) 1.670 5.992 ( 0.000 0.313 0.000) 0.313 6.247 ( 0.000 -7.785 0.000) 7.785 6.324 ( 0.000 7.173 0.000) 7.173 6.435 ( 0.000 2.389 0.000) 2.389 6.494 ( 0.000 0.224 0.000) 0.224 6.568 ( 0.000 5.799 0.000) 5.799 6.619 ( 0.000 -8.646 0.000) 8.646 6.862 ( 0.000 3.297 0.000) 3.297 7.012 ( 0.000 -5.123 0.000) 5.123 7.064 ( 0.000 -10.631 0.000) 10.631 7.249 ( 0.000 -3.259 0.000) 3.259 7.275 ( 0.000 11.893 0.000) 11.893 7.358 ( 0.000 1.516 0.000) 1.516 7.389 ( 0.000 -6.314 0.000) 6.314 7.530 ( 0.000 9.934 0.000) 9.934 7.759 ( 0.000 3.206 0.000) 3.206 7.780 ( 0.000 -0.262 0.000) 0.262 8.044 ( 0.000 -0.489 0.000) 0.489 8.147 ( 0.000 9.560 0.000) 9.560 8.219 ( 0.000 11.227 0.000) 11.227 8.299 ( 0.000 -9.205 0.000) 9.205 8.591 ( 0.000 -18.010 0.000) 18.010 8.626 ( 0.000 -5.419 0.000) 5.419 8.667 ( 0.000 -11.192 0.000) 11.192 8.748 ( 0.000 7.651 0.000) 7.651 9.090 ( 0.000 0.968 0.000) 0.968 9.128 ( 0.000 8.338 0.000) 8.338 9.268 ( 0.000 -3.601 0.000) 3.601 9.275 ( 0.000 8.037 0.000) 8.037 9.697 ( 0.000 9.225 0.000) 9.225 9.924 ( 0.000 -9.967 0.000) 9.967 10.188 ( 0.000 -7.225 0.000) 7.225 10.260 ( 0.000 12.448 0.000) 12.448 10.507 ( 0.000 3.153 0.000) 3.153 10.515 ( 0.000 -8.996 0.000) 8.996 10.595 ( 0.000 -3.554 0.000) 3.554 10.720 ( 0.000 9.532 0.000) 9.532 10.985 ( 0.000 -8.612 0.000) 8.612 11.013 ( 0.000 -15.448 0.000) 15.448 11.064 ( 0.000 -11.924 0.000) 11.924 11.246 ( 0.000 -1.184 0.000) 1.184 11.369 ( 0.000 2.027 0.000) 2.027 11.606 ( 0.000 -1.542 0.000) 1.542 11.782 ( 0.000 -6.549 0.000) 6.549 11.971 ( 0.000 -4.043 0.000) 4.043 11.997 ( 0.000 7.567 0.000) 7.567 12.190 ( 0.000 -6.480 0.000) 6.480 12.510 ( 0.000 -1.255 0.000) 1.255 12.600 ( 0.000 -7.347 0.000) 7.347 12.824 ( 0.000 -3.499 0.000) 3.499 12.996 ( 0.000 4.457 0.000) 4.457 13.609 ( 0.000 2.740 0.000) 2.740 13.634 ( 0.000 -4.119 0.000) 4.119 13.810 ( 0.000 -9.315 0.000) 9.315 14.032 ( 0.000 2.705 0.000) 2.705 14.311 ( 0.000 -4.110 0.000) 4.110 14.423 ( 0.000 5.093 0.000) 5.093 14.964 ( 0.000 -12.120 0.000) 12.120 15.336 ( 0.000 1.698 0.000) 1.698 15.687 ( 0.000 -2.068 0.000) 2.068 15.868 ( 0.000 7.955 0.000) 7.955 16.063 ( 0.000 -0.247 0.000) 0.247 16.400 ( 0.000 13.284 0.000) 13.284 16.851 ( 0.000 10.589 0.000) 10.589 17.137 ( 0.000 -8.607 0.000) 8.607 17.213 ( 0.000 -0.599 0.000) 0.599 17.852 ( 0.000 2.747 0.000) 2.747 18.230 ( 0.000 -8.338 0.000) 8.338 19.214 ( 0.000 1.619 0.000) 1.619 19.366 ( 0.000 -3.399 0.000) 3.399 20.489 ( 0.000 -0.920 0.000) 0.920 20.512 ( 0.000 -0.244 0.000) 0.244 20.752 ( 0.000 -3.539 0.000) 3.539 20.951 ( 0.000 -9.056 0.000) 9.056 21.935 ( 0.000 2.699 0.000) 2.699 22.026 ( 0.000 -0.741 0.000) 0.741 22.708 ( 0.000 3.839 0.000) 3.839 22.726 ( 0.000 2.854 0.000) 2.854 23.607 ( 0.000 7.986 0.000) 7.986 23.940 ( 0.000 -3.516 0.000) 3.516 25.921 ( 0.000 5.169 0.000) 5.169 26.090 ( 0.000 3.669 0.000) 3.669 26.311 ( 0.000 -2.813 0.000) 2.813 26.563 ( 0.000 -6.746 0.000) 6.746 ======================= Grid point 22 (14/100) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 5.333 26.128 8.729) 28.059 2.671 ( 4.999 27.287 -2.660) 27.868 3.126 ( -6.337 -0.153 -0.150) 6.340 3.499 ( -6.201 -8.747 1.890) 10.887 3.614 ( -4.936 4.793 -5.819) 9.011 3.744 ( -6.318 17.190 4.091) 18.765 4.006 ( -2.135 15.159 11.536) 19.169 4.020 ( 2.317 5.924 -0.802) 6.411 4.230 ( -2.934 7.522 -1.022) 8.139 4.470 ( -3.438 -4.926 -3.064) 6.743 4.582 ( -0.042 6.354 -3.700) 7.353 4.663 ( 3.146 -2.623 -2.094) 4.600 4.816 ( -2.237 -6.841 -0.703) 7.232 4.922 ( -3.356 -1.890 0.457) 3.878 5.026 ( -2.874 -5.551 -3.413) 7.121 5.133 ( 7.405 1.115 -7.938) 10.913 5.219 ( 1.246 5.883 -0.653) 6.048 5.302 ( -0.346 0.111 -5.431) 5.444 5.489 ( -0.461 1.857 8.697) 8.905 5.537 ( 4.767 0.550 -10.292) 11.356 5.649 ( 2.209 8.535 2.946) 9.295 5.666 ( 1.119 0.125 2.027) 2.319 5.769 ( 3.088 -6.161 1.713) 7.101 5.912 ( -3.108 2.660 4.335) 5.960 5.993 ( 1.382 -2.094 -4.940) 5.540 6.223 ( -2.493 -7.584 3.094) 8.561 6.282 ( -2.741 8.912 -0.456) 9.335 6.472 ( -0.362 2.928 5.593) 6.323 6.528 ( 0.903 1.556 -3.781) 4.187 6.565 ( 4.716 -2.430 1.327) 5.469 6.688 ( 2.577 -5.803 1.682) 6.568 6.776 ( -7.756 -3.840 5.094) 10.043 6.927 ( -2.022 -1.647 -0.708) 2.702 7.118 ( 1.079 -8.858 -2.737) 9.334 7.195 ( -4.447 1.474 -4.786) 6.697 7.295 ( 3.320 -5.206 0.778) 6.223 7.393 ( 2.086 4.880 2.282) 5.777 7.491 ( 8.059 0.192 -0.673) 8.089 7.705 ( 13.860 5.990 4.052) 15.633 7.726 ( 1.694 6.649 2.592) 7.335 7.832 ( 0.415 -0.307 2.533) 2.586 7.988 ( -4.069 1.434 -3.832) 5.770 8.069 ( -3.849 6.478 -8.302) 11.212 8.127 ( -5.007 8.171 -6.039) 11.327 8.295 ( -3.327 -4.214 1.340) 5.533 8.540 ( 2.691 -3.935 -5.501) 7.279 8.569 ( -4.597 -13.249 9.118) 16.728 8.735 ( -0.890 4.207 -3.168) 5.341 8.840 ( 6.054 -13.174 11.731) 18.650 9.034 ( -1.732 11.714 -3.022) 12.221 9.243 ( 5.107 1.724 -2.119) 5.792 9.301 ( 5.085 2.148 7.851) 9.597 9.354 ( 4.036 2.967 4.064) 6.450 9.634 ( -4.926 8.652 -3.225) 10.465 9.951 ( 2.149 -7.204 0.645) 7.545 10.118 ( -7.502 4.834 3.944) 9.757 10.278 ( -12.718 3.166 -2.351) 13.315 10.292 ( -1.094 2.427 -7.973) 8.406 10.478 ( -7.500 5.459 -14.265) 17.016 10.522 ( -1.657 -8.708 5.234) 10.294 10.662 ( -6.133 -6.003 0.987) 8.638 10.960 ( -2.884 -9.216 -4.923) 10.839 10.987 ( 2.329 -14.126 -3.396) 14.714 11.095 ( -3.034 -1.685 2.521) 4.289 11.216 ( -5.906 -7.734 2.741) 10.109 11.411 ( 0.933 -1.579 1.821) 2.584 11.531 ( -1.207 -4.974 -3.180) 6.026 11.726 ( 0.228 -4.994 6.049) 7.847 11.985 ( 2.479 -1.189 3.228) 4.240 12.157 ( 4.317 -7.326 2.362) 8.826 12.267 ( 5.059 6.033 5.896) 9.837 12.554 ( 7.062 -0.958 1.446) 7.272 12.674 ( 9.955 -7.522 -4.499) 13.263 12.916 ( 6.422 8.427 0.465) 10.605 13.066 ( 8.106 -5.135 1.367) 9.693 13.485 ( -9.234 1.946 0.456) 9.448 13.690 ( 2.557 -3.056 2.993) 4.984 13.784 ( -0.668 -9.542 -9.586) 13.543 14.056 ( 1.859 -0.265 -4.389) 4.773 14.253 ( -2.583 -2.970 -3.975) 5.594 14.493 ( 3.049 5.443 9.528) 11.389 14.952 ( -2.026 -8.189 2.417) 8.775 15.341 ( 0.099 1.479 1.478) 2.093 15.666 ( -2.913 -1.638 1.098) 3.518 15.825 ( -3.256 8.161 -2.167) 9.049 16.016 ( -3.714 -0.316 -2.963) 4.761 16.382 ( -1.426 12.150 0.451) 12.241 16.828 ( -1.621 8.707 -3.889) 9.672 17.075 ( -2.942 -4.392 -1.893) 5.615 17.271 ( 3.060 -0.737 3.121) 4.432 17.980 ( 10.422 -4.154 2.759) 11.554 18.237 ( 0.732 -9.024 0.952) 9.104 19.256 ( 4.826 1.971 -0.221) 5.218 19.431 ( 5.762 -4.033 2.964) 7.632 20.395 ( -9.829 -1.679 1.162) 10.039 20.474 ( -5.938 -1.953 1.562) 6.443 20.732 ( 0.206 0.297 -2.740) 2.764 21.001 ( 5.368 -10.249 -2.347) 11.805 21.919 ( -1.055 3.929 0.681) 4.125 22.078 ( 4.479 -1.712 0.096) 4.796 22.702 ( -0.596 4.224 0.181) 4.270 22.732 ( 0.238 2.553 0.577) 2.628 23.606 ( 0.118 7.768 -0.393) 7.779 23.891 ( -3.521 -1.574 -3.988) 5.548 25.925 ( -0.232 4.602 2.094) 5.061 26.077 ( -0.298 3.378 -2.905) 4.466 26.312 ( -0.697 -2.089 2.040) 3.002 26.561 ( -0.686 -6.622 1.123) 6.752 ======================= Grid point 23 (15/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 7.552 16.557 8.098) 19.918 2.799 ( 6.599 11.915 -0.743) 13.640 3.048 ( 0.132 -0.371 3.425) 3.448 3.213 ( -16.119 -2.759 -5.998) 17.419 3.617 ( -6.177 8.853 0.378) 10.801 3.640 ( 0.187 1.274 5.638) 5.783 3.942 ( -8.469 -0.825 0.299) 8.514 4.072 ( -4.570 15.306 -7.769) 17.763 4.143 ( 0.552 14.286 7.635) 16.208 4.421 ( -2.626 4.469 -0.424) 5.200 4.527 ( 0.349 12.287 -8.164) 14.756 4.690 ( 1.232 -4.454 1.195) 4.774 4.788 ( -0.735 -5.839 -0.301) 5.892 4.865 ( -3.646 0.408 -4.175) 5.558 4.952 ( -2.122 -3.249 2.140) 4.431 5.234 ( -0.844 -7.395 -0.328) 7.450 5.266 ( 6.036 4.146 -9.212) 11.768 5.284 ( 7.863 -5.257 2.343) 9.745 5.506 ( -1.035 -0.201 2.472) 2.688 5.565 ( 4.293 -4.772 -6.036) 8.811 5.695 ( 3.310 3.855 0.006) 5.081 5.796 ( 0.304 3.808 5.737) 6.892 5.826 ( 8.698 6.627 4.224) 11.723 5.894 ( 0.559 3.257 0.131) 3.307 5.954 ( -0.701 1.782 -6.572) 6.845 6.135 ( -8.052 -4.028 -0.122) 9.004 6.315 ( 3.307 9.650 5.323) 11.507 6.487 ( -7.215 8.575 0.495) 11.217 6.518 ( 1.197 -1.531 3.296) 3.827 6.629 ( -0.234 -4.273 2.829) 5.131 6.688 ( 2.424 -3.479 -5.048) 6.593 6.726 ( -1.742 -7.459 1.499) 7.805 6.916 ( -0.189 -0.404 2.696) 2.733 7.108 ( -0.812 -7.677 -2.089) 7.997 7.152 ( 0.733 -5.608 -1.478) 5.845 7.273 ( -1.837 3.802 1.059) 4.353 7.464 ( 1.494 -5.696 1.662) 6.119 7.653 ( 8.321 -1.564 -0.105) 8.467 7.682 ( -3.760 -0.110 -0.714) 3.828 7.760 ( -1.983 -0.778 -3.819) 4.374 7.937 ( -1.719 3.091 1.272) 3.758 7.969 ( 1.281 6.617 -6.374) 9.276 8.044 ( 0.123 6.760 -2.507) 7.211 8.060 ( 8.767 2.355 -1.071) 9.140 8.264 ( 5.936 -0.488 5.871) 8.363 8.455 ( -11.495 2.311 2.464) 11.981 8.633 ( -0.289 -4.485 10.047) 11.006 8.745 ( 4.131 -5.661 -6.701) 9.696 8.939 ( 3.689 -4.940 -2.958) 6.838 9.104 ( 11.352 20.234 -0.394) 23.205 9.269 ( -1.637 -6.048 2.819) 6.871 9.323 ( -4.174 2.901 3.425) 6.129 9.508 ( 2.294 8.686 7.726) 11.848 9.543 ( -0.475 7.212 -3.710) 8.124 9.905 ( -16.336 13.624 0.378) 21.275 9.980 ( -11.209 4.294 -1.046) 12.048 10.006 ( -0.104 -1.264 -6.268) 6.395 10.265 ( -0.641 -1.677 -4.026) 4.408 10.355 ( 3.981 1.015 0.508) 4.140 10.478 ( -4.893 -10.781 -1.311) 11.912 10.586 ( -3.792 -8.619 1.584) 9.549 10.787 ( -7.424 -9.759 -8.894) 15.148 10.984 ( -4.592 1.842 -0.561) 4.980 11.101 ( 5.128 -14.671 0.309) 15.545 11.165 ( -1.474 -15.543 4.504) 16.249 11.402 ( -3.698 -8.400 4.702) 10.313 11.458 ( -2.070 -7.664 -6.230) 10.091 11.890 ( 7.478 -5.576 3.223) 9.869 12.013 ( -2.608 -2.891 5.587) 6.810 12.282 ( 3.719 -4.225 3.225) 6.487 12.331 ( 6.443 7.548 0.246) 9.927 12.766 ( 11.739 4.029 3.336) 12.852 12.847 ( 11.810 -7.844 -5.482) 15.201 12.994 ( 1.845 11.184 2.093) 11.527 13.176 ( -3.478 -1.707 0.710) 3.938 13.415 ( 2.995 -3.407 5.614) 7.218 13.652 ( -3.245 -7.998 -9.206) 12.620 13.768 ( 3.220 -5.286 0.284) 6.196 13.985 ( -4.596 -1.844 -6.406) 8.097 14.173 ( -5.123 -0.437 -0.231) 5.146 14.643 ( 6.562 5.232 5.320) 9.936 14.937 ( -1.384 -2.065 2.166) 3.297 15.366 ( 1.131 0.527 2.460) 2.759 15.602 ( -4.093 0.459 -0.562) 4.157 15.755 ( -2.851 7.308 -0.948) 7.902 15.926 ( -3.144 -1.225 -3.015) 4.525 16.367 ( -0.829 9.334 0.538) 9.386 16.753 ( -2.784 4.117 -3.571) 6.120 17.039 ( -0.561 0.577 -0.582) 0.994 17.339 ( 2.127 0.423 2.218) 3.102 18.128 ( 3.936 -5.969 -1.078) 7.231 18.298 ( 4.384 -16.292 3.630) 17.258 19.372 ( 8.389 2.213 -1.113) 8.747 19.579 ( 6.643 -4.500 4.851) 9.376 20.202 ( -10.924 -2.310 0.396) 11.172 20.337 ( -9.167 -3.849 -0.402) 9.950 20.735 ( 1.776 3.591 -2.353) 4.646 21.075 ( 3.941 -10.933 -1.096) 11.673 21.916 ( -0.012 5.428 0.588) 5.459 22.151 ( 3.262 -2.784 0.070) 4.289 22.695 ( -0.356 4.840 0.294) 4.862 22.739 ( 0.010 2.148 0.564) 2.221 23.612 ( 0.764 7.084 0.058) 7.125 23.788 ( -4.063 2.047 -4.280) 6.246 25.944 ( 0.106 3.217 3.759) 4.949 26.043 ( -0.525 3.079 -4.484) 5.465 26.314 ( -0.588 -0.845 1.872) 2.137 26.556 ( -0.704 -6.372 1.096) 6.504 ======================= Grid point 24 (16/100) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 0.000 11.888 0.000) 11.888 2.892 ( 0.000 1.643 -0.000) 1.643 2.930 ( -0.000 -2.661 0.000) 2.661 3.137 ( 0.000 -0.550 0.000) 0.550 3.597 ( 0.000 15.156 0.000) 15.156 3.680 ( 0.000 1.079 0.000) 1.079 3.747 ( -0.000 1.162 -0.000) 1.162 4.032 ( -0.000 15.365 0.000) 15.365 4.170 ( 0.000 7.814 -0.000) 7.814 4.381 ( -0.000 6.949 0.000) 6.949 4.507 ( 0.000 12.695 0.000) 12.695 4.726 ( 0.000 -4.125 0.000) 4.125 4.781 ( 0.677 -5.866 -1.142) 6.014 4.781 ( -0.677 -3.598 1.142) 3.835 4.952 ( 0.000 -0.767 -0.000) 0.767 5.225 ( 0.000 -11.436 0.000) 11.436 5.274 ( -0.000 6.382 0.000) 6.382 5.467 ( 0.001 -2.194 -0.000) 2.194 5.468 ( -0.001 -4.789 0.000) 4.789 5.521 ( 0.000 -2.011 0.000) 2.011 5.749 ( 0.000 -0.586 -0.000) 0.586 5.867 ( -0.000 -0.563 0.000) 0.563 5.879 ( 0.000 -1.079 0.000) 1.079 5.905 ( 0.000 10.563 0.000) 10.563 6.010 ( 0.000 4.833 0.000) 4.833 6.047 ( -0.000 0.016 -0.000) 0.016 6.319 ( -0.000 18.140 0.000) 18.140 6.375 ( 0.000 11.478 0.000) 11.478 6.579 ( -0.000 -8.747 -0.000) 8.747 6.588 ( 0.000 -0.921 0.000) 0.921 6.702 ( -0.000 -2.231 0.000) 2.231 6.734 ( 0.000 -6.956 -0.000) 6.956 6.964 ( 0.000 4.621 0.000) 4.621 7.036 ( 0.000 -10.141 -0.000) 10.141 7.163 ( 0.000 -6.982 0.000) 6.982 7.279 ( -0.000 3.945 0.000) 3.945 7.480 ( -0.000 -5.451 -0.000) 5.451 7.600 ( 0.000 -4.708 -0.000) 4.708 7.748 ( 0.000 -2.563 -0.000) 2.563 7.759 ( -0.000 -4.360 0.000) 4.360 7.878 ( 0.000 2.984 -0.000) 2.984 7.983 ( -0.000 1.669 0.000) 1.669 8.045 ( 0.000 6.144 -0.000) 6.144 8.154 ( 0.000 1.588 -0.000) 1.588 8.263 ( -0.000 -0.454 0.000) 0.454 8.527 ( 0.000 7.987 0.000) 7.987 8.600 ( -0.000 -0.903 -0.000) 0.903 8.678 ( 0.000 -1.580 -0.000) 1.580 9.109 ( 0.000 -0.656 -0.000) 0.656 9.132 ( -0.000 -5.403 0.000) 5.403 9.254 ( -0.000 -1.310 0.000) 1.310 9.368 ( 0.000 24.611 0.000) 24.611 9.475 ( -0.000 11.647 0.000) 11.647 9.540 ( 0.000 10.472 -0.000) 10.472 9.776 ( 0.000 11.223 0.000) 11.223 9.777 ( -0.000 5.777 -0.000) 5.777 9.992 ( 0.000 -8.336 -0.000) 8.336 10.340 ( 0.000 -3.471 0.000) 3.471 10.360 ( -0.000 -7.033 -0.000) 7.033 10.432 ( -0.000 8.661 0.000) 8.661 10.523 ( 0.000 -14.406 -0.000) 14.406 10.705 ( 0.000 -23.762 0.000) 23.762 10.914 ( 0.000 13.811 0.000) 13.811 11.164 ( 0.000 -18.430 -0.000) 18.430 11.181 ( 0.000 -19.093 0.000) 19.093 11.389 ( -0.000 -8.347 0.000) 8.347 11.400 ( 0.000 -9.332 -0.000) 9.332 11.955 ( 0.000 -12.184 0.000) 12.184 12.014 ( 0.000 4.814 -0.000) 4.814 12.287 ( 0.000 -4.070 0.000) 4.070 12.461 ( 0.000 8.860 0.000) 8.860 12.926 ( -0.000 -3.973 0.000) 3.973 12.936 ( 0.000 3.488 -0.000) 3.488 13.039 ( -0.000 7.485 0.000) 7.485 13.057 ( 0.000 -1.983 -0.000) 1.983 13.459 ( 0.000 -1.704 0.000) 1.704 13.650 ( 0.000 -13.948 0.000) 13.948 13.799 ( -0.000 -1.218 0.000) 1.218 13.876 ( -0.000 -1.613 -0.000) 1.613 14.116 ( 0.000 1.177 -0.000) 1.177 14.731 ( 0.000 4.715 0.000) 4.715 14.932 ( 0.000 0.430 -0.000) 0.430 15.394 ( 0.000 -0.469 0.000) 0.469 15.553 ( 0.000 1.907 -0.000) 1.907 15.725 ( 0.000 6.713 0.000) 6.713 15.886 ( 0.000 -1.992 -0.000) 1.992 16.361 ( 0.000 8.019 0.000) 8.019 16.713 ( 0.000 1.998 0.000) 1.998 17.034 ( 0.000 2.552 0.000) 2.552 17.366 ( 0.000 0.763 0.000) 0.763 18.148 ( 0.000 -4.419 0.000) 4.419 18.362 ( 0.000 -20.713 0.000) 20.713 19.469 ( 0.000 1.986 -0.000) 1.986 19.664 ( 0.000 -3.872 0.000) 3.872 20.099 ( -0.000 -2.421 0.000) 2.421 20.225 ( 0.000 -4.987 0.000) 4.987 20.745 ( 0.000 4.392 0.000) 4.392 21.108 ( 0.000 -11.009 0.000) 11.009 21.919 ( 0.000 5.980 0.000) 5.980 22.182 ( 0.000 -3.158 -0.000) 3.158 22.693 ( 0.000 5.145 -0.000) 5.145 22.741 ( -0.000 1.975 0.000) 1.975 23.626 ( 0.000 6.319 0.000) 6.319 23.726 ( -0.000 4.054 -0.000) 4.054 25.968 ( 0.000 1.765 0.000) 1.765 26.012 ( 0.000 3.715 -0.000) 3.715 26.316 ( -0.000 -0.307 -0.000) 0.307 26.554 ( 0.000 -6.247 0.000) 6.247 ======================= Grid point 28 (17/100) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( 0.000 23.139 0.000) 23.139 3.093 ( 0.000 15.342 0.000) 15.342 3.126 ( 0.000 -11.590 0.000) 11.590 3.295 ( 0.000 -8.503 0.000) 8.503 3.883 ( 0.000 9.465 0.000) 9.465 3.981 ( 0.000 -2.244 0.000) 2.244 4.054 ( 0.000 5.719 0.000) 5.719 4.278 ( 0.000 -11.775 0.000) 11.775 4.326 ( 0.000 8.389 0.000) 8.389 4.472 ( 0.000 16.823 0.000) 16.823 4.474 ( 0.000 -6.042 0.000) 6.042 4.607 ( 0.000 -1.797 0.000) 1.797 4.725 ( 0.000 0.367 0.000) 0.367 4.820 ( 0.000 -7.898 0.000) 7.898 4.993 ( 0.000 1.959 0.000) 1.959 5.185 ( 0.000 -1.185 0.000) 1.185 5.311 ( 0.000 0.567 0.000) 0.567 5.330 ( 0.000 -2.112 0.000) 2.112 5.352 ( 0.000 -12.408 0.000) 12.408 5.430 ( 0.000 -8.173 0.000) 8.173 5.638 ( 0.000 6.134 0.000) 6.134 5.732 ( 0.000 0.068 0.000) 0.068 5.881 ( 0.000 10.047 0.000) 10.047 5.967 ( 0.000 6.087 0.000) 6.087 6.093 ( 0.000 7.601 0.000) 7.601 6.094 ( 0.000 -2.674 0.000) 2.674 6.398 ( 0.000 -5.602 0.000) 5.602 6.449 ( 0.000 -8.229 0.000) 8.229 6.480 ( 0.000 6.552 0.000) 6.552 6.502 ( 0.000 2.345 0.000) 2.345 6.656 ( 0.000 3.967 0.000) 3.967 6.834 ( 0.000 -12.539 0.000) 12.539 6.958 ( 0.000 5.817 0.000) 5.817 7.059 ( 0.000 4.056 0.000) 4.056 7.111 ( 0.000 -3.358 0.000) 3.358 7.254 ( 0.000 -7.989 0.000) 7.989 7.485 ( 0.000 8.486 0.000) 8.486 7.489 ( 0.000 7.690 0.000) 7.690 7.731 ( 0.000 8.301 0.000) 8.301 7.832 ( 0.000 6.456 0.000) 6.456 7.887 ( 0.000 -8.182 0.000) 8.182 8.024 ( 0.000 2.622 0.000) 2.622 8.072 ( 0.000 -2.466 0.000) 2.466 8.212 ( 0.000 -3.538 0.000) 3.538 8.286 ( 0.000 -8.924 0.000) 8.924 8.315 ( 0.000 -4.685 0.000) 4.685 8.598 ( 0.000 7.078 0.000) 7.078 8.745 ( 0.000 18.409 0.000) 18.409 8.774 ( 0.000 -5.783 0.000) 5.783 9.096 ( 0.000 -14.283 0.000) 14.283 9.306 ( 0.000 14.906 0.000) 14.906 9.311 ( 0.000 11.740 0.000) 11.740 9.439 ( 0.000 4.851 0.000) 4.851 9.602 ( 0.000 -15.445 0.000) 15.445 10.007 ( 0.000 -8.589 0.000) 8.589 10.033 ( 0.000 13.851 0.000) 13.851 10.113 ( 0.000 -13.191 0.000) 13.191 10.475 ( 0.000 8.677 0.000) 8.677 10.514 ( 0.000 -24.272 0.000) 24.272 10.540 ( 0.000 0.607 0.000) 0.607 10.598 ( 0.000 1.250 0.000) 1.250 10.717 ( 0.000 -12.110 0.000) 12.110 11.029 ( 0.000 3.164 0.000) 3.164 11.049 ( 0.000 6.637 0.000) 6.637 11.211 ( 0.000 1.301 0.000) 1.301 11.357 ( 0.000 -6.285 0.000) 6.285 11.581 ( 0.000 -0.423 0.000) 0.423 11.621 ( 0.000 -6.312 0.000) 6.312 11.946 ( 0.000 1.738 0.000) 1.738 12.008 ( 0.000 -3.913 0.000) 3.913 12.291 ( 0.000 12.261 0.000) 12.261 12.484 ( 0.000 -6.092 0.000) 6.092 12.516 ( 0.000 1.916 0.000) 1.916 12.620 ( 0.000 -10.256 0.000) 10.256 13.271 ( 0.000 16.740 0.000) 16.740 13.579 ( 0.000 -14.475 0.000) 14.475 13.598 ( 0.000 -0.002 0.000) 0.002 13.615 ( 0.000 -1.139 0.000) 1.139 14.143 ( 0.000 6.997 0.000) 6.997 14.248 ( 0.000 -3.604 0.000) 3.604 14.543 ( 0.000 7.391 0.000) 7.391 14.725 ( 0.000 -11.556 0.000) 11.556 15.429 ( 0.000 7.103 0.000) 7.103 15.580 ( 0.000 -7.732 0.000) 7.732 15.996 ( 0.000 5.051 0.000) 5.051 16.056 ( 0.000 -1.310 0.000) 1.310 16.645 ( 0.000 12.313 0.000) 12.313 16.868 ( 0.000 -9.635 0.000) 9.635 17.090 ( 0.000 5.006 0.000) 5.006 17.179 ( 0.000 -3.266 0.000) 3.266 17.933 ( 0.000 5.761 0.000) 5.761 18.069 ( 0.000 -8.031 0.000) 8.031 19.254 ( 0.000 2.447 0.000) 2.447 19.306 ( 0.000 -2.895 0.000) 2.895 20.473 ( 0.000 0.040 0.000) 0.040 20.492 ( 0.000 -1.501 0.000) 1.501 20.744 ( 0.000 1.850 0.000) 1.850 20.812 ( 0.000 -5.325 0.000) 5.325 21.977 ( 0.000 1.760 0.000) 1.760 22.006 ( 0.000 -1.264 0.000) 1.264 22.761 ( 0.000 1.464 0.000) 1.464 22.765 ( 0.000 0.994 0.000) 0.994 23.749 ( 0.000 6.590 0.000) 6.590 23.860 ( 0.000 -4.899 0.000) 4.899 26.024 ( 0.000 5.349 0.000) 5.349 26.110 ( 0.000 -2.586 0.000) 2.586 26.313 ( 0.000 3.948 0.000) 3.948 26.428 ( 0.000 -7.017 0.000) 7.017 ======================= Grid point 29 (18/100) ======================= q-point: ( 0.17 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.765 ( -2.466 18.667 1.532) 18.891 3.028 ( -4.809 -5.473 0.244) 7.290 3.073 ( -1.536 10.832 -9.406) 14.428 3.297 ( -1.550 -10.933 -1.981) 11.219 3.742 ( -9.876 7.712 -3.623) 13.044 3.874 ( -11.970 -3.853 3.817) 13.142 4.069 ( 3.096 11.082 1.352) 11.585 4.306 ( 0.547 -10.302 -0.107) 10.317 4.352 ( -0.893 9.238 6.538) 11.353 4.427 ( -0.021 5.145 1.830) 5.461 4.603 ( 5.287 2.590 -2.555) 6.418 4.667 ( 2.511 -1.798 4.548) 5.497 4.728 ( 1.854 0.335 -2.721) 3.310 4.813 ( -0.576 -7.075 -1.837) 7.333 4.942 ( -4.177 -0.049 -3.875) 5.698 5.047 ( -3.711 -5.880 -9.663) 11.904 5.245 ( -2.644 0.773 -2.902) 4.001 5.283 ( -0.092 0.346 -3.605) 3.623 5.455 ( 5.722 -2.838 -1.220) 6.502 5.566 ( 9.946 -12.782 2.695) 16.419 5.683 ( 1.050 11.613 8.287) 14.306 5.812 ( 5.421 1.927 1.392) 5.919 5.867 ( -2.805 7.991 5.022) 9.846 5.958 ( -2.226 1.349 1.981) 3.271 6.054 ( -1.439 6.412 -1.556) 6.754 6.074 ( -3.083 -1.498 3.112) 4.630 6.421 ( 1.258 -5.663 -0.979) 5.883 6.431 ( 1.226 5.618 -2.103) 6.123 6.462 ( -3.411 -6.661 6.007) 9.596 6.529 ( 0.847 -4.129 -2.241) 4.774 6.658 ( 5.039 5.965 -2.930) 8.340 6.778 ( -4.509 -1.203 -0.281) 4.675 6.933 ( -1.053 1.206 1.751) 2.373 7.000 ( -5.684 -2.615 -2.743) 6.832 7.151 ( 4.903 -3.051 1.152) 5.888 7.186 ( -3.909 -3.741 -2.938) 6.157 7.570 ( 4.020 6.644 -0.011) 7.765 7.596 ( 0.720 10.748 3.497) 11.325 7.750 ( -2.454 0.669 -1.791) 3.111 7.795 ( 5.005 -1.012 -5.172) 7.268 7.898 ( 4.109 3.452 -0.680) 5.409 8.045 ( -0.071 -9.217 -4.568) 10.287 8.088 ( 3.976 6.385 6.697) 10.072 8.182 ( -6.776 -7.545 6.716) 12.164 8.260 ( 0.129 7.566 -3.766) 8.452 8.413 ( 8.662 -5.778 -7.807) 13.014 8.499 ( -1.955 1.825 3.044) 4.052 8.676 ( -8.635 -9.370 -3.989) 13.352 8.788 ( 0.359 15.163 9.763) 18.038 9.117 ( 1.709 -12.613 2.925) 13.060 9.354 ( 3.649 15.442 3.738) 16.302 9.458 ( 9.565 11.280 1.603) 14.876 9.475 ( 2.495 5.369 5.379) 7.999 9.658 ( 1.765 -9.006 3.683) 9.889 9.977 ( -3.946 4.359 1.473) 6.061 10.042 ( 2.718 -5.806 -1.929) 6.694 10.083 ( -1.615 -6.680 -0.869) 6.927 10.356 ( -7.524 -2.965 -5.996) 10.067 10.459 ( -6.501 2.425 -7.129) 9.948 10.515 ( -0.419 -11.465 -3.853) 12.102 10.584 ( -2.118 2.781 -6.360) 7.257 10.694 ( 3.127 -9.624 -2.355) 10.390 10.847 ( -7.674 2.898 -0.431) 8.215 11.025 ( -8.629 -9.521 4.365) 13.570 11.207 ( -12.644 8.783 -4.773) 16.118 11.395 ( -8.049 -2.830 2.854) 8.997 11.460 ( -3.043 -2.108 -4.640) 5.935 11.531 ( 5.485 -10.720 2.955) 12.399 12.012 ( 2.622 3.046 4.281) 5.872 12.066 ( 6.266 -2.641 4.052) 7.915 12.373 ( 2.047 4.376 4.344) 6.497 12.460 ( 1.269 -5.434 5.547) 7.868 12.692 ( 18.586 6.503 -4.495) 20.197 12.842 ( 18.506 -8.318 0.622) 20.299 13.247 ( -2.101 14.515 -1.026) 14.702 13.479 ( -10.046 -5.726 4.771) 12.509 13.602 ( 2.930 -4.052 -8.346) 9.730 13.633 ( 1.701 -4.154 -5.928) 7.435 14.121 ( -1.719 5.166 -1.705) 5.706 14.204 ( -2.872 -3.028 -1.693) 4.504 14.614 ( 3.744 7.136 8.349) 11.603 14.773 ( 2.397 -9.320 5.993) 11.337 15.424 ( -0.987 6.552 1.327) 6.757 15.566 ( -1.845 -7.358 0.787) 7.627 15.955 ( -3.052 4.998 -2.754) 6.472 16.012 ( -3.466 -1.060 -2.853) 4.613 16.610 ( -2.782 11.406 -1.911) 11.895 16.810 ( -4.475 -8.451 -3.567) 10.206 17.110 ( 1.695 6.298 1.019) 6.601 17.222 ( 3.139 -4.521 2.757) 6.156 17.969 ( 3.285 3.023 0.701) 4.519 18.076 ( 0.562 -7.397 0.250) 7.422 19.302 ( 5.088 2.731 0.672) 5.814 19.360 ( 5.398 -3.307 1.586) 6.526 20.383 ( -9.989 0.858 1.995) 10.222 20.424 ( -8.394 -2.885 2.013) 9.101 20.766 ( 3.562 2.973 -3.006) 5.528 20.848 ( 4.717 -5.767 -2.865) 7.982 21.985 ( 0.891 3.018 0.647) 3.213 22.037 ( 2.759 -2.417 0.450) 3.696 22.760 ( -0.158 1.668 0.276) 1.698 22.767 ( -0.016 0.842 0.459) 0.959 23.741 ( -0.501 6.056 -0.890) 6.141 23.837 ( -1.623 -3.937 -1.884) 4.657 26.020 ( -0.432 4.990 0.224) 5.013 26.098 ( -0.741 -2.129 -1.290) 2.597 26.318 ( 0.033 3.668 1.204) 3.860 26.428 ( -0.311 -6.853 0.849) 6.912 ======================= Grid point 30 (19/100) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( 2.366 10.124 0.172) 10.398 2.882 ( -5.417 -2.002 -6.585) 8.758 3.075 ( 1.314 2.399 1.264) 3.013 3.141 ( -12.660 -4.246 -1.969) 13.497 3.645 ( -0.179 2.886 -0.881) 3.023 3.712 ( -6.610 -2.613 3.556) 7.947 4.100 ( -2.539 16.052 -0.787) 16.270 4.270 ( -1.470 3.553 -1.649) 4.184 4.371 ( -1.200 9.168 3.614) 9.927 4.498 ( 4.517 -3.067 3.322) 6.391 4.582 ( -3.812 3.384 -3.060) 5.946 4.663 ( -2.320 -0.404 0.126) 2.359 4.710 ( -0.442 -4.980 -8.405) 9.780 4.789 ( -1.500 -10.573 0.515) 10.691 4.839 ( -2.747 -0.180 -1.084) 2.958 4.972 ( -2.240 -11.828 -4.243) 12.764 5.281 ( 8.310 2.693 -2.479) 9.081 5.300 ( 3.582 0.641 -0.444) 3.666 5.527 ( 3.487 3.465 -5.252) 7.194 5.679 ( -0.691 -5.949 -1.976) 6.306 5.709 ( -2.571 12.959 7.670) 15.276 5.852 ( -2.206 2.401 6.549) 7.316 5.905 ( 1.274 -0.786 2.467) 2.885 5.960 ( 1.674 -5.204 2.058) 5.841 6.046 ( -0.810 6.595 3.684) 7.597 6.075 ( 4.377 6.205 -1.520) 7.744 6.415 ( -3.766 -5.983 5.927) 9.226 6.452 ( 2.415 -8.977 3.162) 9.820 6.499 ( 6.649 5.805 -2.945) 9.305 6.592 ( 5.136 -2.050 -0.863) 5.597 6.679 ( -4.194 4.211 2.999) 6.657 6.753 ( 2.847 4.885 -3.055) 6.427 6.860 ( -5.919 -2.496 -1.220) 6.539 6.972 ( 1.608 -8.385 -1.040) 8.600 7.123 ( -1.047 4.531 -1.251) 4.815 7.232 ( 3.525 -5.581 1.895) 6.868 7.525 ( -3.816 7.999 -0.495) 8.877 7.633 ( -1.367 -0.991 0.921) 1.923 7.653 ( -3.949 0.428 -3.883) 5.555 7.745 ( -1.566 -2.684 -0.372) 3.129 7.913 ( -8.310 1.129 -9.711) 12.831 8.022 ( 3.303 -4.798 -7.693) 9.649 8.124 ( 0.009 6.167 8.081) 10.165 8.231 ( 3.901 1.717 -0.776) 4.333 8.313 ( 5.154 6.863 -1.496) 8.712 8.495 ( 2.185 -7.396 -1.622) 7.881 8.507 ( 1.491 2.635 6.601) 7.262 8.676 ( 13.828 -8.931 1.566) 16.535 8.856 ( -3.671 10.470 7.233) 13.244 9.118 ( -6.363 -10.605 5.442) 13.511 9.437 ( -5.523 9.246 5.644) 12.159 9.506 ( 10.315 14.632 1.129) 17.938 9.636 ( 4.240 -0.728 -0.159) 4.305 9.715 ( 4.584 5.259 1.464) 7.129 9.912 ( -2.874 2.311 0.037) 3.688 10.004 ( -3.507 -0.251 -4.132) 5.425 10.134 ( 4.123 -2.396 0.685) 4.818 10.236 ( 0.058 -4.882 -2.726) 5.592 10.302 ( -5.182 1.409 -4.615) 7.081 10.408 ( -11.351 12.730 -6.401) 18.217 10.454 ( -3.913 -8.976 -3.380) 10.359 10.716 ( -3.204 -8.221 -1.193) 8.904 10.774 ( -0.104 -7.685 -0.309) 7.692 10.895 ( -9.008 -4.428 -4.939) 11.187 10.975 ( -2.450 -4.102 3.890) 6.162 11.197 ( -6.901 -14.504 -1.256) 16.111 11.435 ( -2.812 7.230 -1.228) 7.854 11.643 ( 1.059 -13.705 4.022) 14.322 12.090 ( 3.034 6.466 3.491) 7.949 12.201 ( 2.814 -4.682 2.717) 6.101 12.464 ( 8.799 6.493 2.342) 11.183 12.605 ( 9.354 -8.889 3.544) 13.382 12.967 ( 12.136 9.540 -4.252) 16.012 13.128 ( 7.412 -5.605 0.836) 9.330 13.206 ( 0.857 8.926 -1.368) 9.071 13.337 ( -5.712 -4.242 2.384) 7.504 13.542 ( -1.119 -0.494 -8.551) 8.638 13.632 ( 0.004 -7.464 -0.088) 7.465 14.062 ( -3.257 5.830 -1.148) 6.776 14.149 ( -3.148 -2.808 0.428) 4.240 14.750 ( 4.967 5.788 5.717) 9.532 14.861 ( 2.544 -5.369 4.555) 7.486 15.419 ( -0.767 4.895 1.881) 5.299 15.532 ( -2.333 -6.020 0.708) 6.495 15.876 ( -3.049 4.549 -2.575) 6.052 15.922 ( -3.475 -0.496 -3.110) 4.689 16.542 ( -2.759 8.799 -1.988) 9.433 16.699 ( -4.351 -6.928 -3.330) 8.833 17.153 ( 1.853 8.527 1.281) 8.820 17.299 ( 2.785 -5.347 2.574) 6.555 18.033 ( 3.106 -1.747 0.044) 3.564 18.085 ( 0.029 -6.546 0.335) 6.554 19.429 ( 8.175 3.359 0.485) 8.852 19.499 ( 7.801 -3.866 2.322) 9.011 20.192 ( -11.332 1.433 0.811) 11.451 20.252 ( -11.000 -4.336 0.502) 11.834 20.812 ( 3.200 4.453 -2.057) 5.857 20.913 ( 3.871 -6.361 -1.629) 7.622 22.011 ( 1.150 4.426 0.581) 4.610 22.088 ( 2.237 -3.658 0.405) 4.307 22.760 ( -0.036 1.858 0.338) 1.889 22.769 ( -0.088 0.762 0.476) 0.903 23.726 ( -0.304 4.684 -0.762) 4.755 23.789 ( -1.883 -1.749 -2.052) 3.289 26.017 ( -0.264 3.908 0.693) 3.977 26.072 ( -0.830 -0.951 -1.635) 2.065 26.327 ( 0.019 3.166 1.129) 3.361 26.428 ( -0.327 -6.524 0.799) 6.581 ======================= Grid point 31 (20/100) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( 0.000 4.020 -0.000) 4.020 2.854 ( -0.000 -3.889 0.000) 3.889 2.954 ( 0.000 6.513 -0.000) 6.513 3.086 ( 0.000 -5.407 0.000) 5.407 3.653 ( 0.000 1.092 -0.000) 1.092 3.694 ( 0.000 -3.126 0.000) 3.126 4.027 ( 0.000 21.553 0.000) 21.553 4.259 ( 0.000 2.523 -0.000) 2.523 4.374 ( 0.000 11.582 0.000) 11.582 4.499 ( 0.000 7.041 0.000) 7.041 4.607 ( 0.000 -12.198 0.000) 12.198 4.624 ( 0.000 -4.873 0.000) 4.873 4.681 ( 0.000 4.227 0.000) 4.227 4.721 ( -0.000 -1.815 -0.000) 1.815 4.867 ( 0.000 -5.869 -0.000) 5.869 4.908 ( 0.000 -14.298 0.000) 14.298 5.342 ( -0.000 1.983 -0.000) 1.983 5.397 ( 0.000 -3.320 0.000) 3.320 5.516 ( 0.000 3.081 -0.000) 3.081 5.597 ( -0.000 0.679 -0.000) 0.679 5.736 ( -0.000 8.849 0.000) 8.849 5.870 ( -0.000 -0.665 -0.000) 0.665 5.900 ( 0.000 1.995 0.000) 1.995 5.971 ( -0.000 -5.176 0.000) 5.176 6.094 ( 0.000 4.914 -0.000) 4.914 6.127 ( 0.000 8.069 0.000) 8.069 6.404 ( 0.000 -5.708 -0.000) 5.708 6.497 ( 0.000 -5.268 0.000) 5.268 6.570 ( 0.000 0.216 0.000) 0.216 6.636 ( 0.000 4.351 -0.000) 4.351 6.659 ( -0.000 -0.395 0.000) 0.395 6.749 ( -0.000 15.994 0.000) 15.994 6.782 ( 0.000 -13.446 -0.000) 13.446 6.990 ( 0.000 -10.007 -0.000) 10.007 7.121 ( -0.000 9.183 0.000) 9.183 7.278 ( 0.000 -5.914 -0.000) 5.914 7.494 ( -0.000 5.658 -0.000) 5.658 7.557 ( 0.000 -1.596 0.000) 1.596 7.647 ( -0.000 0.605 -0.000) 0.605 7.736 ( 0.000 2.738 0.000) 2.738 7.783 ( 0.000 -3.377 -0.000) 3.377 8.022 ( -0.000 -10.638 0.000) 10.638 8.174 ( 0.000 1.337 -0.000) 1.337 8.198 ( -0.000 -1.714 0.000) 1.714 8.318 ( 0.000 14.453 -0.000) 14.453 8.546 ( 0.000 -9.837 -0.000) 9.837 8.683 ( 0.000 9.864 0.000) 9.864 8.740 ( -0.000 13.889 -0.000) 13.889 8.911 ( 0.000 -12.458 -0.000) 12.458 8.998 ( -0.000 -10.550 0.000) 10.550 9.382 ( 0.000 11.659 0.000) 11.659 9.625 ( 0.000 -7.949 0.000) 7.949 9.705 ( 0.000 9.508 -0.000) 9.508 9.781 ( 0.000 13.232 -0.000) 13.232 9.865 ( 0.000 2.467 0.000) 2.467 9.984 ( 0.000 3.927 -0.000) 3.927 10.107 ( -0.000 18.023 -0.000) 18.023 10.227 ( 0.000 4.763 0.000) 4.763 10.267 ( -0.000 -3.363 -0.000) 3.363 10.326 ( 0.000 -7.911 0.000) 7.911 10.328 ( -0.000 -8.518 -0.000) 8.518 10.671 ( 0.000 11.024 0.000) 11.024 10.733 ( 0.000 -28.843 -0.000) 28.843 10.835 ( 0.000 -8.564 -0.000) 8.564 10.990 ( 0.000 -4.163 0.000) 4.163 11.153 ( 0.000 -16.020 -0.000) 16.020 11.385 ( 0.000 10.872 -0.000) 10.872 11.655 ( 0.000 -16.079 0.000) 16.079 12.138 ( 0.000 5.825 0.000) 5.825 12.217 ( -0.000 -2.848 0.000) 2.848 12.603 ( 0.000 5.712 -0.000) 5.712 12.731 ( -0.000 -8.614 0.000) 8.614 13.015 ( 0.000 6.277 0.000) 6.277 13.115 ( 0.000 -1.347 -0.000) 1.347 13.214 ( 0.000 8.613 0.000) 8.613 13.382 ( 0.000 -9.092 -0.000) 9.092 13.498 ( 0.000 3.145 -0.000) 3.145 13.628 ( 0.000 -8.459 0.000) 8.459 14.022 ( 0.000 7.184 0.000) 7.184 14.115 ( 0.000 -2.284 -0.000) 2.284 14.822 ( 0.000 4.652 0.000) 4.652 14.902 ( 0.000 -3.285 0.000) 3.285 15.421 ( 0.000 3.512 0.000) 3.512 15.510 ( 0.000 -4.777 -0.000) 4.777 15.836 ( 0.000 4.151 0.000) 4.151 15.877 ( 0.000 -0.332 -0.000) 0.332 16.507 ( 0.000 7.385 0.000) 7.385 16.644 ( 0.000 -6.474 0.000) 6.474 17.176 ( 0.000 9.621 0.000) 9.621 17.335 ( 0.000 -5.289 0.000) 5.289 18.066 ( 0.000 -3.252 0.000) 3.252 18.082 ( -0.000 -6.962 0.000) 6.962 19.529 ( 0.000 3.535 -0.000) 3.535 19.595 ( 0.000 -3.373 0.000) 3.373 20.077 ( -0.000 0.554 0.000) 0.554 20.127 ( 0.000 -4.376 0.000) 4.376 20.835 ( 0.000 4.999 0.000) 4.999 20.944 ( 0.000 -6.586 0.000) 6.586 22.024 ( 0.000 4.927 0.000) 4.927 22.111 ( 0.000 -4.090 -0.000) 4.090 22.761 ( 0.000 1.888 -0.000) 1.888 22.770 ( 0.000 0.790 0.000) 0.790 23.722 ( 0.000 3.595 0.000) 3.595 23.761 ( -0.000 -0.270 -0.000) 0.270 26.018 ( 0.000 2.989 0.000) 2.989 26.056 ( 0.000 -0.025 -0.000) 0.025 26.332 ( -0.000 2.937 -0.000) 2.937 26.428 ( 0.000 -6.358 0.000) 6.358 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -11.787 0.000 47.596) 49.034 0.963 ( 2.251 0.000 50.608) 50.658 1.622 ( 0.349 0.000 84.511) 84.512 3.115 ( -2.668 0.000 3.233) 4.192 3.465 ( 8.549 0.000 -7.218) 11.188 3.535 ( -3.789 0.000 12.504) 13.066 3.698 ( -4.060 0.000 -4.209) 5.848 3.748 ( 2.088 0.000 -1.166) 2.391 4.050 ( 10.335 0.000 -0.500) 10.347 4.098 ( -7.466 0.000 7.377) 10.496 4.378 ( 9.096 0.000 -11.479) 14.646 4.543 ( -11.945 0.000 -18.667) 22.162 4.591 ( 10.162 0.000 0.798) 10.194 4.847 ( 1.821 0.000 0.998) 2.077 4.922 ( -0.612 0.000 -1.070) 1.233 4.962 ( -1.029 0.000 2.224) 2.451 5.245 ( -11.507 0.000 -5.093) 12.583 5.333 ( -4.709 0.000 9.398) 10.511 5.508 ( -5.906 0.000 -6.070) 8.469 5.575 ( 3.282 0.000 -1.171) 3.485 5.650 ( 1.073 0.000 -10.697) 10.750 5.752 ( 3.893 0.000 -0.108) 3.895 5.941 ( -6.305 0.000 5.391) 8.296 6.005 ( 1.348 0.000 -0.556) 1.459 6.081 ( -0.065 0.000 1.953) 1.954 6.263 ( 5.700 0.000 -10.334) 11.802 6.340 ( 6.179 0.000 -6.727) 9.134 6.436 ( 2.365 0.000 11.085) 11.334 6.651 ( 1.234 0.000 -1.988) 2.339 6.798 ( -1.851 0.000 1.840) 2.610 6.873 ( 2.238 0.000 -8.414) 8.707 6.954 ( -3.216 0.000 1.802) 3.686 6.983 ( 8.683 0.000 -1.240) 8.771 7.070 ( -2.930 0.000 -7.217) 7.789 7.303 ( -2.037 0.000 -4.951) 5.354 7.356 ( 12.740 0.000 4.991) 13.683 7.562 ( -2.983 0.000 4.072) 5.048 7.742 ( 9.911 0.000 -3.063) 10.374 7.748 ( 0.469 0.000 0.493) 0.681 7.823 ( 18.998 0.000 2.399) 19.149 7.883 ( -1.664 0.000 -1.054) 1.970 8.031 ( -4.301 0.000 -0.238) 4.307 8.209 ( -1.026 0.000 13.799) 13.837 8.266 ( -3.500 0.000 -0.119) 3.502 8.386 ( 4.050 0.000 -23.551) 23.897 8.544 ( -2.388 0.000 4.188) 4.821 8.744 ( -10.012 0.000 -4.929) 11.159 8.753 ( -1.684 0.000 -5.266) 5.529 8.832 ( -4.650 0.000 -7.886) 9.154 8.934 ( -13.928 0.000 3.430) 14.344 9.168 ( -10.917 0.000 3.885) 11.588 9.270 ( 1.835 0.000 3.375) 3.842 9.533 ( 3.018 0.000 3.407) 4.552 9.654 ( -1.131 0.000 -3.138) 3.335 9.766 ( 0.107 0.000 -5.986) 5.987 9.868 ( -12.054 0.000 4.062) 12.720 10.068 ( 5.189 0.000 -11.088) 12.242 10.238 ( 5.416 0.000 10.734) 12.023 10.442 ( 19.209 0.000 0.268) 19.211 10.608 ( -17.990 0.000 -4.748) 18.606 10.797 ( -5.370 0.000 5.034) 7.360 10.995 ( -3.430 0.000 1.656) 3.809 11.118 ( 2.885 0.000 5.710) 6.398 11.180 ( -0.632 0.000 -0.882) 1.085 11.187 ( 1.659 0.000 -4.522) 4.816 11.649 ( 2.614 0.000 1.863) 3.210 11.886 ( -2.103 0.000 4.790) 5.232 11.937 ( -2.489 0.000 8.439) 8.798 12.120 ( 10.253 0.000 -2.682) 10.598 12.273 ( -12.214 0.000 -0.124) 12.215 12.439 ( 9.628 0.000 0.363) 9.635 12.548 ( -1.359 0.000 5.265) 5.438 12.777 ( 2.859 0.000 13.467) 13.767 12.885 ( 3.725 0.000 -5.787) 6.883 13.126 ( -5.078 0.000 2.203) 5.536 13.214 ( 11.703 0.000 2.494) 11.966 13.701 ( -28.997 0.000 -9.928) 30.650 13.943 ( 7.672 0.000 8.811) 11.683 14.347 ( 1.397 0.000 -15.978) 16.039 14.964 ( -35.370 0.000 2.332) 35.447 14.983 ( 2.357 0.000 -7.496) 7.858 15.021 ( -0.446 0.000 3.425) 3.454 15.181 ( -6.255 0.000 4.795) 7.881 15.384 ( -3.740 0.000 1.127) 3.906 15.560 ( 2.101 0.000 0.141) 2.105 15.676 ( -3.471 0.000 -2.036) 4.024 15.923 ( 2.710 0.000 -1.037) 2.901 16.150 ( -2.624 0.000 0.503) 2.672 17.199 ( 4.940 0.000 -3.102) 5.833 17.413 ( -2.998 0.000 -1.662) 3.428 18.391 ( -6.667 0.000 4.076) 7.815 18.640 ( 88.227 0.000 -0.231) 88.227 19.448 ( 6.822 0.000 3.746) 7.783 19.673 ( -20.310 0.000 -0.606) 20.319 20.406 ( -0.112 0.000 -1.124) 1.130 20.444 ( 0.982 0.000 -0.540) 1.121 20.620 ( -7.061 0.000 2.103) 7.368 21.210 ( 24.820 0.000 -12.954) 27.997 21.668 ( -2.880 0.000 5.658) 6.349 21.892 ( 0.617 0.000 -1.126) 1.284 22.648 ( 0.190 0.000 8.066) 8.068 22.983 ( -27.087 0.000 2.219) 27.177 23.113 ( 2.376 0.000 -2.866) 3.723 23.253 ( -1.767 0.000 -0.264) 1.787 25.938 ( -3.305 0.000 -1.228) 3.525 26.059 ( 1.285 0.000 -2.730) 3.017 26.800 ( 0.670 0.000 1.648) 1.778 26.894 ( 6.469 0.000 0.103) 6.470 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 20.092 0.000 36.354) 41.537 1.330 ( 6.023 0.000 44.779) 45.182 2.650 ( 42.250 0.000 68.426) 80.419 3.033 ( -10.900 0.000 1.517) 11.005 3.517 ( 2.728 0.000 -17.044) 17.261 3.529 ( -5.388 0.000 6.962) 8.803 3.649 ( -5.853 0.000 6.989) 9.116 3.763 ( -0.076 0.000 -2.509) 2.511 3.968 ( -21.894 0.000 2.374) 22.022 4.003 ( -4.596 0.000 5.122) 6.882 4.389 ( 17.397 0.000 -19.839) 26.386 4.434 ( 5.895 0.000 -7.881) 9.842 4.680 ( -2.706 0.000 8.128) 8.567 4.837 ( -5.241 0.000 4.836) 7.131 4.924 ( 3.177 0.000 -6.640) 7.361 4.999 ( 3.387 0.000 -0.008) 3.387 5.125 ( 2.464 0.000 -11.868) 12.121 5.356 ( -0.475 0.000 10.192) 10.203 5.379 ( -3.373 0.000 -4.123) 5.327 5.584 ( 4.014 0.000 -10.265) 11.022 5.655 ( -1.897 0.000 6.849) 7.107 5.800 ( 4.230 0.000 -1.238) 4.408 5.861 ( -4.592 0.000 0.532) 4.623 6.046 ( 2.932 0.000 0.905) 3.069 6.146 ( 2.876 0.000 2.143) 3.587 6.286 ( 4.425 0.000 -11.435) 12.261 6.307 ( 3.191 0.000 -7.267) 7.937 6.561 ( 0.349 0.000 4.543) 4.556 6.585 ( -6.148 0.000 -6.335) 8.828 6.720 ( -5.787 0.000 1.465) 5.969 6.746 ( -12.287 0.000 -6.689) 13.990 6.924 ( 2.986 0.000 -10.164) 10.593 6.943 ( -1.384 0.000 2.344) 2.722 7.130 ( 6.545 0.000 -4.799) 8.116 7.221 ( 1.367 0.000 -12.176) 12.253 7.433 ( -3.731 0.000 -0.048) 3.732 7.624 ( 2.020 0.000 10.944) 11.129 7.726 ( -3.175 0.000 -0.810) 3.277 7.771 ( -1.377 0.000 -0.976) 1.688 7.878 ( -2.041 0.000 -2.903) 3.549 7.919 ( 8.389 0.000 -14.248) 16.534 8.083 ( -1.720 0.000 -8.219) 8.397 8.225 ( -1.872 0.000 -0.356) 1.905 8.271 ( 1.197 0.000 1.724) 2.099 8.337 ( -5.564 0.000 -1.784) 5.842 8.383 ( -17.120 0.000 19.381) 25.860 8.526 ( -2.752 0.000 -0.024) 2.752 8.590 ( -13.958 0.000 11.887) 18.334 8.768 ( -2.998 0.000 1.335) 3.282 8.785 ( -0.403 0.000 1.872) 1.915 9.047 ( -4.107 0.000 -1.569) 4.397 9.313 ( -2.131 0.000 5.863) 6.238 9.416 ( -22.804 0.000 4.442) 23.233 9.575 ( 2.553 0.000 -7.397) 7.825 9.664 ( 1.279 0.000 -4.299) 4.485 9.772 ( 2.616 0.000 3.745) 4.568 10.119 ( 10.996 0.000 -6.726) 12.890 10.347 ( -5.604 0.000 4.603) 7.252 10.364 ( 4.807 0.000 2.731) 5.528 10.738 ( 12.461 0.000 -9.454) 15.641 10.974 ( -5.621 0.000 7.245) 9.170 10.996 ( 2.395 0.000 6.437) 6.868 11.158 ( -0.540 0.000 5.699) 5.724 11.180 ( 2.561 0.000 1.400) 2.918 11.386 ( 17.557 0.000 -8.862) 19.667 11.714 ( 3.252 0.000 2.459) 4.077 11.752 ( -1.411 0.000 2.074) 2.508 11.939 ( -3.449 0.000 16.223) 16.585 12.079 ( -7.197 0.000 -1.778) 7.413 12.294 ( -0.373 0.000 6.948) 6.958 12.510 ( -1.197 0.000 -3.530) 3.727 12.636 ( 9.656 0.000 -2.581) 9.994 12.887 ( -0.172 0.000 -6.822) 6.824 12.946 ( 0.588 0.000 14.541) 14.553 13.007 ( -7.388 0.000 1.471) 7.533 13.296 ( 1.277 0.000 -10.201) 10.281 13.465 ( -0.070 0.000 -5.268) 5.268 14.238 ( 0.606 0.000 -14.630) 14.642 14.243 ( 14.231 0.000 10.594) 17.741 14.737 ( -4.703 0.000 7.488) 8.842 14.890 ( -3.606 0.000 -10.468) 11.071 15.078 ( -4.126 0.000 7.257) 8.348 15.153 ( 4.374 0.000 1.420) 4.599 15.328 ( -3.275 0.000 1.234) 3.500 15.603 ( 2.630 0.000 0.047) 2.631 15.667 ( 2.401 0.000 -4.184) 4.824 15.941 ( -0.190 0.000 1.898) 1.907 16.106 ( -1.463 0.000 -1.039) 1.795 17.302 ( 6.902 0.000 0.559) 6.924 17.370 ( 0.733 0.000 -5.291) 5.342 18.292 ( -5.596 0.000 -0.207) 5.600 19.189 ( -9.527 0.000 5.546) 11.024 19.638 ( 9.258 0.000 8.178) 12.353 19.769 ( 29.281 0.000 -28.130) 40.604 20.376 ( -2.022 0.000 -1.568) 2.559 20.454 ( -11.097 0.000 -2.038) 11.282 20.480 ( 4.302 0.000 -1.419) 4.530 21.583 ( 23.587 0.000 -21.429) 31.868 21.658 ( -0.554 0.000 0.393) 0.680 21.908 ( 1.847 0.000 -0.871) 2.042 22.613 ( -9.438 0.000 8.023) 12.388 22.823 ( -1.072 0.000 15.752) 15.789 23.136 ( 2.065 0.000 -1.900) 2.806 23.212 ( -1.856 0.000 -1.565) 2.428 25.875 ( -1.819 0.000 -3.954) 4.352 26.083 ( 3.111 0.000 -1.694) 3.542 26.652 ( -23.245 0.000 14.032) 27.152 26.800 ( -1.955 0.000 1.487) 2.456 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 16.463 0.000 33.152) 37.015 1.996 ( 29.019 0.000 26.024) 38.979 2.743 ( -20.873 0.000 -1.740) 20.946 3.128 ( -29.869 0.000 -4.999) 30.285 3.437 ( -6.419 0.000 -3.286) 7.211 3.456 ( -16.228 0.000 -9.701) 18.906 3.666 ( 15.899 0.000 -3.218) 16.221 3.787 ( 19.021 0.000 37.285) 41.856 3.911 ( -0.907 0.000 12.004) 12.038 4.027 ( 0.978 0.000 -0.991) 1.393 4.463 ( 4.692 0.000 1.680) 4.983 4.580 ( 11.486 0.000 -9.292) 14.774 4.682 ( -3.941 0.000 3.863) 5.519 4.783 ( -2.388 0.000 3.669) 4.378 4.881 ( 0.146 0.000 -4.406) 4.409 5.066 ( -2.796 0.000 -5.453) 6.128 5.066 ( 5.970 0.000 -3.366) 6.853 5.403 ( -4.294 0.000 11.895) 12.646 5.418 ( 13.136 0.000 -8.349) 15.565 5.594 ( 2.647 0.000 -6.675) 7.181 5.681 ( -1.051 0.000 8.436) 8.501 5.779 ( -1.156 0.000 -3.319) 3.514 5.908 ( 5.473 0.000 0.521) 5.497 6.114 ( 2.938 0.000 4.195) 5.121 6.133 ( -4.092 0.000 0.903) 4.190 6.230 ( -1.562 0.000 -14.188) 14.274 6.315 ( -14.792 0.000 -2.854) 15.064 6.424 ( 7.817 0.000 -3.351) 8.505 6.518 ( -8.319 0.000 -2.647) 8.730 6.540 ( 0.858 0.000 1.715) 1.918 6.651 ( -1.493 0.000 -6.613) 6.779 6.920 ( -3.089 0.000 4.750) 5.666 6.922 ( 3.347 0.000 -9.543) 10.113 7.176 ( 2.111 0.000 -6.741) 7.064 7.225 ( 6.828 0.000 -7.075) 9.833 7.338 ( 1.170 0.000 -7.923) 8.008 7.631 ( -5.595 0.000 -1.604) 5.821 7.658 ( 0.281 0.000 -5.436) 5.443 7.833 ( 4.666 0.000 9.974) 11.011 7.893 ( -10.975 0.000 -1.295) 11.051 7.905 ( 4.256 0.000 -1.548) 4.529 7.959 ( 4.311 0.000 -6.855) 8.098 8.075 ( -15.863 0.000 -7.066) 17.366 8.116 ( -9.052 0.000 5.955) 10.835 8.311 ( 0.850 0.000 3.413) 3.518 8.364 ( -6.233 0.000 22.037) 22.901 8.468 ( -7.602 0.000 7.403) 10.611 8.617 ( 3.361 0.000 9.403) 9.986 8.803 ( 4.736 0.000 0.165) 4.739 8.804 ( -0.980 0.000 2.125) 2.341 9.019 ( 1.083 0.000 -0.227) 1.106 9.155 ( -10.745 0.000 2.223) 10.973 9.293 ( -1.771 0.000 5.584) 5.858 9.578 ( 2.814 0.000 -6.095) 6.713 9.667 ( 3.014 0.000 -7.060) 7.677 9.847 ( 0.666 0.000 4.453) 4.503 10.251 ( 8.050 0.000 -9.296) 12.298 10.364 ( 2.970 0.000 7.877) 8.418 10.421 ( 4.801 0.000 -8.219) 9.518 10.823 ( 3.085 0.000 -3.416) 4.603 10.877 ( -8.135 0.000 1.446) 8.262 10.984 ( -7.355 0.000 6.542) 9.843 11.171 ( -2.311 0.000 4.086) 4.694 11.213 ( 2.295 0.000 -0.684) 2.395 11.520 ( 10.159 0.000 -15.555) 18.579 11.707 ( -2.311 0.000 -3.353) 4.072 11.815 ( 4.173 0.000 -6.530) 7.750 11.969 ( -5.444 0.000 -0.933) 5.524 12.169 ( 8.725 0.000 18.691) 20.627 12.331 ( -3.806 0.000 20.322) 20.676 12.486 ( 1.411 0.000 -7.223) 7.360 12.543 ( -11.255 0.000 -9.537) 14.753 12.893 ( 5.382 0.000 -1.151) 5.504 12.895 ( -11.136 0.000 4.809) 12.130 12.972 ( 0.452 0.000 0.921) 1.026 13.282 ( 1.162 0.000 -2.378) 2.647 13.487 ( 6.129 0.000 -5.160) 8.012 14.223 ( 6.331 0.000 -5.189) 8.186 14.506 ( 7.351 0.000 9.265) 11.827 14.725 ( -3.715 0.000 -15.493) 15.932 14.768 ( 0.300 0.000 10.574) 10.578 15.055 ( -3.881 0.000 8.168) 9.043 15.257 ( 3.973 0.000 4.032) 5.660 15.301 ( -1.583 0.000 3.735) 4.056 15.637 ( 1.439 0.000 -1.786) 2.293 15.673 ( 2.229 0.000 -6.359) 6.738 15.953 ( -0.655 0.000 3.814) 3.870 16.101 ( 0.948 0.000 0.515) 1.079 17.353 ( 2.592 0.000 -8.345) 8.738 17.407 ( 3.554 0.000 -0.118) 3.556 18.223 ( -1.117 0.000 0.047) 1.118 19.026 ( -11.693 0.000 5.417) 12.887 19.821 ( 3.179 0.000 2.912) 4.311 19.957 ( 14.364 0.000 -21.424) 25.794 20.263 ( -5.959 0.000 0.480) 5.979 20.335 ( -1.612 0.000 0.234) 1.629 20.553 ( 5.642 0.000 -5.156) 7.643 21.641 ( -1.486 0.000 1.211) 1.916 21.721 ( 8.956 0.000 -17.357) 19.531 21.935 ( 1.577 0.000 -0.749) 1.746 22.552 ( -2.750 0.000 4.118) 4.952 22.963 ( 2.325 0.000 18.137) 18.285 23.141 ( 0.137 0.000 -4.090) 4.092 23.191 ( 0.552 0.000 0.988) 1.132 25.818 ( -0.730 0.000 -6.182) 6.225 26.132 ( 2.897 0.000 -0.603) 2.959 26.407 ( -16.495 0.000 14.297) 21.828 26.757 ( -2.917 0.000 -0.539) 2.966 ======================= Grid point 66 (24/100) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -17.658 0.000 34.534) 38.786 2.282 ( -30.704 0.000 3.028) 30.853 2.639 ( -5.169 0.000 -18.657) 19.360 2.657 ( 24.196 0.000 21.195) 32.166 3.218 ( 1.138 0.000 -11.644) 11.700 3.386 ( 2.319 0.000 -2.288) 3.258 3.586 ( -30.694 0.000 -5.999) 31.275 3.838 ( 9.326 0.000 -9.321) 13.186 3.912 ( -7.000 0.000 6.855) 9.798 4.037 ( -5.149 0.000 2.822) 5.872 4.488 ( -13.255 0.000 -7.688) 15.324 4.628 ( 0.500 0.000 0.691) 0.853 4.743 ( 0.320 0.000 11.551) 11.556 4.785 ( 0.023 0.000 -3.782) 3.782 5.008 ( 9.299 0.000 7.633) 12.030 5.172 ( 14.499 0.000 11.484) 18.497 5.173 ( 7.141 0.000 -2.505) 7.567 5.390 ( -4.006 0.000 6.308) 7.473 5.558 ( -5.441 0.000 2.558) 6.012 5.608 ( 11.646 0.000 -7.651) 13.934 5.658 ( 2.856 0.000 -2.449) 3.763 5.752 ( -13.474 0.000 -6.044) 14.767 5.890 ( 4.974 0.000 9.390) 10.626 6.045 ( -2.957 0.000 -4.280) 5.202 6.094 ( -2.681 0.000 -3.272) 4.230 6.221 ( 7.682 0.000 -0.374) 7.691 6.383 ( 9.467 0.000 3.800) 10.202 6.408 ( 0.684 0.000 4.368) 4.421 6.425 ( -3.430 0.000 -0.639) 3.489 6.513 ( -3.738 0.000 -7.882) 8.723 6.705 ( 5.199 0.000 5.981) 7.925 6.912 ( 4.346 0.000 -11.490) 12.285 6.937 ( 3.495 0.000 0.422) 3.520 7.141 ( 3.890 0.000 -12.474) 13.066 7.336 ( 7.502 0.000 -0.228) 7.505 7.359 ( 3.989 0.000 -7.404) 8.411 7.506 ( -8.631 0.000 -0.261) 8.635 7.622 ( -18.775 0.000 -6.357) 19.822 7.712 ( 7.769 0.000 -4.732) 9.097 7.748 ( 0.451 0.000 -1.701) 1.760 7.951 ( 1.117 0.000 -9.503) 9.568 7.972 ( -5.325 0.000 0.942) 5.408 8.023 ( -1.901 0.000 9.024) 9.222 8.073 ( 5.632 0.000 11.777) 13.054 8.340 ( 1.777 0.000 -1.198) 2.144 8.358 ( -0.862 0.000 7.460) 7.509 8.547 ( 0.451 0.000 20.804) 20.809 8.715 ( -0.749 0.000 9.099) 9.130 8.800 ( 2.291 0.000 1.281) 2.625 8.875 ( 2.626 0.000 1.877) 3.228 9.003 ( -1.028 0.000 -3.133) 3.297 9.121 ( 2.231 0.000 8.497) 8.785 9.343 ( -1.838 0.000 13.893) 14.014 9.557 ( 0.142 0.000 -8.801) 8.802 9.667 ( 3.115 0.000 -8.234) 8.804 9.829 ( -3.337 0.000 -0.474) 3.371 10.297 ( 1.181 0.000 1.850) 2.195 10.425 ( -0.384 0.000 -12.510) 12.516 10.488 ( 5.030 0.000 0.764) 5.087 10.670 ( -8.423 0.000 -5.153) 9.874 10.874 ( -7.873 0.000 4.407) 9.022 10.881 ( 5.150 0.000 -0.942) 5.235 11.129 ( -4.008 0.000 -0.284) 4.018 11.283 ( 2.724 0.000 2.087) 3.432 11.577 ( 7.254 0.000 -16.290) 17.832 11.611 ( -6.929 0.000 -7.679) 10.343 11.778 ( 1.864 0.000 -10.392) 10.558 11.833 ( -4.484 0.000 -6.080) 7.555 12.174 ( -7.281 0.000 2.608) 7.734 12.346 ( -14.006 0.000 13.647) 19.555 12.437 ( 0.383 0.000 -1.951) 1.989 12.568 ( 9.426 0.000 5.432) 10.879 12.797 ( -1.474 0.000 3.082) 3.416 12.909 ( -2.048 0.000 -1.672) 2.644 13.033 ( 3.395 0.000 3.402) 4.806 13.251 ( -0.622 0.000 -6.753) 6.782 13.585 ( 6.210 0.000 0.486) 6.229 14.348 ( 5.374 0.000 0.943) 5.456 14.613 ( -1.296 0.000 5.560) 5.709 14.621 ( 6.774 0.000 -12.157) 13.917 14.899 ( 2.506 0.000 21.200) 21.348 15.044 ( -3.191 0.000 6.531) 7.269 15.324 ( 0.213 0.000 5.835) 5.839 15.336 ( 0.541 0.000 5.941) 5.965 15.620 ( -1.090 0.000 -4.051) 4.195 15.653 ( 1.281 0.000 -7.933) 8.036 15.970 ( -1.256 0.000 5.558) 5.699 16.130 ( 0.715 0.000 2.732) 2.824 17.340 ( 3.405 0.000 -10.909) 11.428 17.396 ( -2.456 0.000 -5.170) 5.724 18.272 ( 3.881 0.000 5.888) 7.052 18.854 ( -9.914 0.000 -1.678) 10.056 19.705 ( -9.616 0.000 -9.630) 13.609 20.038 ( 10.359 0.000 -15.423) 18.579 20.293 ( 1.571 0.000 3.705) 4.024 20.381 ( 5.627 0.000 8.643) 10.313 20.581 ( 2.457 0.000 -7.912) 8.285 21.610 ( 0.540 0.000 -8.858) 8.875 21.719 ( 0.739 0.000 -5.140) 5.193 21.946 ( 0.208 0.000 -0.830) 0.855 22.550 ( -0.379 0.000 1.915) 1.952 23.109 ( 0.365 0.000 -4.862) 4.876 23.150 ( 3.455 0.000 21.191) 21.471 23.224 ( 1.223 0.000 2.467) 2.753 25.763 ( -0.514 0.000 -6.288) 6.309 26.159 ( 0.134 0.000 -0.460) 0.479 26.252 ( -11.641 0.000 10.754) 15.848 26.711 ( -0.489 0.000 -2.485) 2.533 ======================= Grid point 67 (25/100) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -44.229 0.000 18.737) 48.034 1.700 ( -40.747 0.000 14.540) 43.264 2.266 ( -44.367 0.000 -0.326) 44.368 3.082 ( 9.806 0.000 6.545) 11.790 3.292 ( 5.893 0.000 -0.358) 5.904 3.298 ( 9.830 0.000 2.281) 10.091 3.516 ( 14.091 0.000 -4.628) 14.832 3.810 ( -5.813 0.000 3.479) 6.775 3.897 ( 2.229 0.000 -1.979) 2.981 4.048 ( 4.642 0.000 2.959) 5.505 4.190 ( -10.186 0.000 -12.871) 16.414 4.671 ( 3.003 0.000 3.313) 4.471 4.682 ( -8.590 0.000 1.848) 8.787 4.735 ( -0.326 0.000 -5.850) 5.859 5.110 ( -4.467 0.000 -1.477) 4.705 5.195 ( -5.916 0.000 3.600) 6.925 5.375 ( 0.749 0.000 -1.459) 1.640 5.389 ( 9.087 0.000 1.456) 9.203 5.483 ( -4.521 0.000 6.107) 7.598 5.540 ( -5.693 0.000 10.647) 12.074 5.764 ( 3.634 0.000 -7.395) 8.240 5.809 ( 13.364 0.000 -0.359) 13.368 5.905 ( -4.178 0.000 -1.298) 4.375 6.046 ( -0.612 0.000 -6.018) 6.049 6.058 ( -0.814 0.000 6.319) 6.372 6.278 ( -8.639 0.000 -3.554) 9.341 6.299 ( 0.504 0.000 -0.119) 0.517 6.445 ( -1.357 0.000 -2.018) 2.432 6.466 ( 11.626 0.000 -7.260) 13.707 6.621 ( 4.753 0.000 3.967) 6.191 6.772 ( -0.132 0.000 2.194) 2.198 6.884 ( 3.475 0.000 -17.443) 17.786 7.034 ( 3.395 0.000 4.410) 5.565 7.206 ( 6.109 0.000 -5.140) 7.984 7.265 ( -4.663 0.000 -10.982) 11.931 7.339 ( -1.939 0.000 -5.048) 5.408 7.397 ( -0.990 0.000 8.072) 8.132 7.526 ( 4.836 0.000 7.083) 8.576 7.749 ( -5.566 0.000 0.595) 5.597 7.855 ( -6.603 0.000 2.065) 6.918 7.895 ( 15.284 0.000 2.116) 15.430 7.939 ( 3.189 0.000 -6.234) 7.003 8.069 ( -0.628 0.000 9.806) 9.826 8.213 ( 1.400 0.000 6.789) 6.932 8.389 ( 11.956 0.000 -14.040) 18.441 8.455 ( 1.749 0.000 5.777) 6.036 8.631 ( 0.045 0.000 4.345) 4.345 8.714 ( -3.068 0.000 4.512) 5.456 8.935 ( 7.228 0.000 8.420) 11.097 8.993 ( 4.761 0.000 -1.325) 4.942 9.055 ( 8.305 0.000 18.699) 20.460 9.258 ( 4.758 0.000 11.555) 12.496 9.352 ( -8.954 0.000 5.808) 10.673 9.509 ( 1.953 0.000 1.913) 2.734 9.662 ( 2.406 0.000 -6.729) 7.147 9.784 ( 0.420 0.000 -2.547) 2.581 10.133 ( -14.060 0.000 -19.257) 23.843 10.283 ( -10.093 0.000 8.403) 13.133 10.519 ( 2.401 0.000 -0.964) 2.587 10.575 ( -3.397 0.000 -9.187) 9.794 10.841 ( 2.555 0.000 -1.750) 3.097 10.984 ( 7.079 0.000 -1.896) 7.328 11.020 ( -5.939 0.000 -4.217) 7.284 11.244 ( -7.903 0.000 -0.730) 7.937 11.466 ( 2.788 0.000 -4.158) 5.007 11.467 ( -6.437 0.000 -11.715) 13.367 11.824 ( 2.189 0.000 2.531) 3.347 11.839 ( 10.797 0.000 -11.471) 15.753 12.137 ( -14.166 0.000 8.741) 16.645 12.152 ( 0.014 0.000 6.394) 6.394 12.466 ( 1.550 0.000 4.791) 5.036 12.699 ( 1.003 0.000 -0.946) 1.379 12.808 ( -1.025 0.000 1.137) 1.530 12.842 ( -1.154 0.000 -3.914) 4.080 13.106 ( 1.518 0.000 4.839) 5.072 13.184 ( -0.911 0.000 -7.842) 7.894 13.704 ( 6.412 0.000 1.758) 6.649 14.361 ( 3.294 0.000 -10.121) 10.643 14.543 ( -9.024 0.000 1.026) 9.082 14.802 ( 11.869 0.000 2.425) 12.114 15.040 ( -1.847 0.000 5.350) 5.660 15.167 ( 7.829 0.000 31.572) 32.528 15.342 ( -4.254 0.000 4.687) 6.329 15.375 ( 0.528 0.000 5.530) 5.555 15.558 ( -1.774 0.000 -4.312) 4.662 15.615 ( 0.904 0.000 -7.501) 7.555 15.983 ( -2.600 0.000 8.011) 8.422 16.158 ( -0.262 0.000 4.006) 4.015 17.285 ( -3.575 0.000 -8.395) 9.125 17.317 ( 3.566 0.000 -13.633) 14.092 18.393 ( 1.946 0.000 10.248) 10.431 18.616 ( -12.691 0.000 -15.211) 19.810 19.477 ( -6.858 0.000 -9.611) 11.807 20.114 ( 9.606 0.000 -13.848) 16.853 20.342 ( 2.545 0.000 1.299) 2.857 20.531 ( -1.355 0.000 -8.394) 8.503 20.559 ( 4.770 0.000 10.409) 11.450 21.504 ( -0.779 0.000 -24.512) 24.525 21.695 ( -2.908 0.000 4.465) 5.328 21.931 ( -1.024 0.000 -1.051) 1.467 22.562 ( -0.046 0.000 2.806) 2.806 23.092 ( 1.510 0.000 -4.669) 4.907 23.258 ( 0.483 0.000 2.621) 2.665 23.373 ( 5.681 0.000 17.462) 18.363 25.736 ( 0.480 0.000 3.894) 3.923 26.129 ( -2.149 0.000 -1.883) 2.857 26.140 ( -8.620 0.000 8.010) 11.767 26.716 ( 2.602 0.000 -1.904) 3.225 ======================= Grid point 68 (26/100) ======================= q-point: (-0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -42.809 0.000 15.223) 45.435 1.130 ( -39.904 0.000 32.307) 51.343 1.599 ( -46.647 0.000 60.775) 76.613 3.143 ( -1.154 0.000 -0.856) 1.437 3.392 ( 5.515 0.000 -6.164) 8.271 3.473 ( 1.390 0.000 13.510) 13.581 3.687 ( 6.614 0.000 -2.807) 7.185 3.861 ( 10.619 0.000 -2.041) 10.813 3.874 ( -9.234 0.000 -8.695) 12.683 4.036 ( 8.233 0.000 5.800) 10.071 4.250 ( 13.381 0.000 -7.187) 15.189 4.528 ( -6.887 0.000 -0.936) 6.950 4.703 ( 1.117 0.000 -5.250) 5.367 4.777 ( 5.179 0.000 1.077) 5.289 4.981 ( -4.249 0.000 -5.306) 6.798 5.060 ( -9.598 0.000 0.335) 9.604 5.360 ( -4.241 0.000 6.663) 7.898 5.477 ( -11.181 0.000 7.400) 13.408 5.508 ( 2.748 0.000 2.381) 3.636 5.566 ( 5.830 0.000 2.883) 6.504 5.713 ( -0.744 0.000 -8.261) 8.294 5.783 ( -4.613 0.000 -12.488) 13.313 5.985 ( -4.216 0.000 6.752) 7.960 5.997 ( 0.869 0.000 -4.779) 4.857 6.090 ( 11.690 0.000 -2.341) 11.922 6.159 ( -3.857 0.000 4.875) 6.216 6.287 ( -0.742 0.000 -6.526) 6.568 6.427 ( -1.503 0.000 2.810) 3.187 6.555 ( 7.465 0.000 -0.359) 7.473 6.692 ( 4.342 0.000 3.730) 5.724 6.776 ( 1.956 0.000 -2.119) 2.884 6.869 ( 6.632 0.000 -12.039) 13.745 7.024 ( -6.283 0.000 5.773) 8.533 7.171 ( -1.625 0.000 -4.828) 5.094 7.241 ( -5.570 0.000 0.976) 5.655 7.293 ( 6.978 0.000 -3.145) 7.654 7.555 ( 5.863 0.000 11.108) 12.560 7.608 ( 3.719 0.000 -4.208) 5.616 7.656 ( -6.683 0.000 6.117) 9.060 7.781 ( -3.108 0.000 1.142) 3.312 7.908 ( -1.915 0.000 1.048) 2.183 8.083 ( -0.675 0.000 4.881) 4.928 8.201 ( -6.045 0.000 8.217) 10.201 8.276 ( 10.884 0.000 7.482) 13.208 8.416 ( -0.135 0.000 -0.027) 0.137 8.475 ( 8.388 0.000 -25.752) 27.084 8.725 ( 7.332 0.000 -2.530) 7.757 8.744 ( 3.934 0.000 3.488) 5.257 9.029 ( 1.453 0.000 -4.654) 4.875 9.057 ( -5.359 0.000 -0.810) 5.419 9.210 ( 1.589 0.000 -4.148) 4.442 9.278 ( -2.724 0.000 10.128) 10.488 9.553 ( -5.929 0.000 2.787) 6.552 9.588 ( 21.892 0.000 23.186) 31.888 9.675 ( 2.769 0.000 0.336) 2.790 9.784 ( 1.964 0.000 -5.316) 5.667 9.953 ( 8.274 0.000 5.202) 9.773 10.059 ( -14.759 0.000 1.507) 14.836 10.397 ( -5.334 0.000 -9.068) 10.520 10.647 ( 1.020 0.000 3.186) 3.345 10.811 ( 9.189 0.000 -8.146) 12.280 11.039 ( 7.993 0.000 6.845) 10.523 11.052 ( -0.296 0.000 -2.450) 2.468 11.165 ( 0.452 0.000 1.076) 1.167 11.280 ( -7.153 0.000 -3.737) 8.071 11.561 ( 6.450 0.000 0.466) 6.467 11.778 ( -9.864 0.000 -4.106) 10.684 11.890 ( 1.373 0.000 6.116) 6.269 12.136 ( 5.747 0.000 4.356) 7.211 12.238 ( 4.623 0.000 6.071) 7.631 12.555 ( 3.382 0.000 3.382) 4.783 12.560 ( -12.201 0.000 -2.306) 12.417 12.748 ( -6.313 0.000 1.714) 6.542 12.856 ( 4.449 0.000 -6.325) 7.733 13.126 ( -0.929 0.000 -2.017) 2.221 13.149 ( -0.477 0.000 4.002) 4.030 13.821 ( 5.206 0.000 1.423) 5.396 14.303 ( -16.505 0.000 -10.947) 19.806 14.372 ( 6.280 0.000 -12.830) 14.285 14.946 ( 3.601 0.000 -0.552) 3.643 15.047 ( -1.263 0.000 2.462) 2.768 15.266 ( -7.013 0.000 4.268) 8.210 15.394 ( -0.924 0.000 0.591) 1.097 15.513 ( 3.414 0.000 -8.623) 9.275 15.531 ( 1.185 0.000 -1.329) 1.781 15.707 ( 15.824 0.000 21.112) 26.384 15.977 ( -7.958 0.000 6.706) 10.407 16.172 ( -1.303 0.000 3.318) 3.565 17.192 ( 0.043 0.000 -7.431) 7.431 17.285 ( 6.015 0.000 -8.861) 10.710 18.086 ( -31.005 0.000 -22.070) 38.058 18.445 ( -4.022 0.000 9.054) 9.907 19.374 ( 0.953 0.000 -3.877) 3.992 20.095 ( -4.370 0.000 -21.736) 22.171 20.391 ( 2.140 0.000 0.060) 2.141 20.445 ( -1.597 0.000 -3.185) 3.563 20.658 ( -0.829 0.000 6.962) 7.011 21.219 ( -7.821 0.000 -26.652) 27.776 21.680 ( -3.448 0.000 6.872) 7.688 21.904 ( -0.898 0.000 -1.228) 1.521 22.591 ( 0.316 0.000 5.412) 5.421 23.096 ( 2.261 0.000 -3.960) 4.560 23.271 ( -0.765 0.000 1.540) 1.719 23.445 ( -7.204 0.000 -13.273) 15.102 25.962 ( 6.659 0.000 11.455) 13.250 26.078 ( -1.164 0.000 -2.978) 3.197 26.161 ( 16.771 0.000 35.556) 39.313 26.761 ( 2.754 0.000 0.119) 2.756 ======================= Grid point 69 (27/100) ======================= q-point: ( 0.00 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 3.698 32.647 27.062) 42.566 1.316 ( 13.696 24.243 42.784) 51.046 2.181 ( -11.418 47.234 60.339) 77.474 3.195 ( -2.074 4.931 -3.359) 6.317 3.505 ( 4.495 4.117 -0.566) 6.122 3.654 ( -2.067 5.005 -7.812) 9.505 3.694 ( -2.373 2.333 5.719) 6.617 3.906 ( 2.514 17.343 -1.434) 17.583 4.069 ( -1.528 -1.680 4.548) 5.083 4.149 ( 4.653 8.773 1.384) 10.027 4.403 ( 1.871 5.845 -5.161) 8.019 4.572 ( -5.372 2.377 -9.105) 10.836 4.632 ( 9.883 4.452 -6.718) 12.752 4.831 ( -4.321 -7.472 2.011) 8.862 4.885 ( 0.764 3.630 0.774) 3.790 4.990 ( 0.371 2.339 -3.530) 4.250 5.231 ( -10.844 -2.096 3.545) 11.600 5.350 ( -4.334 0.309 4.047) 5.938 5.521 ( -1.303 1.371 -2.788) 3.369 5.555 ( 2.942 -2.006 2.341) 4.261 5.678 ( 0.322 2.152 -15.945) 16.093 5.814 ( 1.489 2.532 -0.515) 2.982 5.851 ( 2.394 -6.353 -2.840) 7.359 5.959 ( -9.209 0.271 4.908) 10.439 6.120 ( -1.141 -5.757 -2.981) 6.583 6.212 ( 3.111 -1.108 -3.665) 4.933 6.325 ( 5.726 -2.005 -4.506) 7.557 6.437 ( 2.233 0.423 12.003) 12.217 6.579 ( 3.664 -6.499 -0.704) 7.493 6.687 ( 1.034 -7.537 -1.439) 7.742 6.828 ( -4.756 -0.133 0.770) 4.820 6.979 ( 8.791 1.914 -4.282) 9.964 7.040 ( -5.959 0.992 -6.743) 9.054 7.100 ( 3.305 -2.713 -0.465) 4.301 7.237 ( 7.177 -5.153 -1.531) 8.967 7.325 ( 0.987 2.208 -0.589) 2.490 7.419 ( 2.827 -5.934 2.130) 6.910 7.600 ( 1.246 -10.059 1.724) 10.281 7.743 ( -6.628 -4.554 -2.730) 8.493 7.852 ( 0.043 -0.838 1.174) 1.443 7.956 ( -1.106 3.504 0.802) 3.761 8.049 ( -2.592 -10.723 2.920) 11.412 8.097 ( 3.699 -3.689 9.992) 11.276 8.211 ( -3.874 -4.078 -3.762) 6.767 8.297 ( 5.918 0.542 -8.493) 10.365 8.518 ( -2.036 -4.306 -7.605) 8.973 8.647 ( -1.303 -0.269 -0.033) 1.331 8.741 ( -1.353 1.179 1.157) 2.135 8.860 ( 2.689 0.576 -1.951) 3.372 8.988 ( -9.904 -0.749 -6.873) 12.078 9.179 ( -11.856 -2.106 0.934) 12.077 9.392 ( -5.069 9.308 4.228) 11.411 9.470 ( -1.617 1.782 1.089) 2.641 9.590 ( 3.890 -6.706 2.969) 8.302 9.831 ( 15.735 7.951 7.397) 19.119 9.886 ( -3.442 -3.158 -0.709) 4.725 10.100 ( -6.199 12.473 -5.010) 14.802 10.304 ( 7.725 3.032 5.979) 10.228 10.431 ( -7.110 -2.844 -8.737) 11.619 10.606 ( 2.244 2.990 -4.923) 6.182 10.708 ( 0.634 -9.008 7.417) 11.686 11.015 ( 7.344 1.401 0.762) 7.515 11.114 ( -5.560 -0.648 3.358) 6.527 11.162 ( -0.960 4.971 -0.634) 5.102 11.294 ( -0.947 5.048 0.689) 5.182 11.575 ( 0.694 -6.329 2.115) 6.709 11.794 ( 6.229 -1.671 1.789) 6.693 11.927 ( 0.260 -5.847 10.163) 11.727 12.038 ( 0.949 -6.587 -5.218) 8.456 12.307 ( -7.616 3.017 5.164) 9.683 12.420 ( 2.515 -1.836 2.313) 3.879 12.511 ( 6.203 -4.264 7.001) 10.280 12.643 ( -4.741 -5.220 4.228) 8.222 13.032 ( 1.731 -4.353 -1.137) 4.820 13.089 ( 0.897 7.226 -8.105) 10.895 13.390 ( 3.605 3.309 -3.968) 6.300 13.854 ( -10.387 6.446 -13.834) 18.462 13.920 ( 8.791 -2.788 6.278) 11.156 14.294 ( 0.858 -5.424 -10.122) 11.515 14.522 ( -11.355 -23.742 5.857) 26.961 14.830 ( -8.611 -14.796 4.163) 17.618 15.078 ( 1.584 4.222 -8.176) 9.337 15.337 ( -1.386 -0.076 0.675) 1.544 15.482 ( -8.076 14.952 -0.120) 16.994 15.570 ( 2.091 2.881 -1.542) 3.880 15.947 ( 5.629 5.729 -1.107) 8.108 16.069 ( -8.096 25.600 -3.540) 27.082 16.183 ( -6.383 1.239 3.201) 7.247 17.185 ( 3.848 -1.318 -3.472) 5.348 17.383 ( -2.878 -3.104 -1.356) 4.444 18.109 ( 26.026 -17.235 17.148) 35.616 18.527 ( 15.242 -6.446 1.989) 16.668 19.302 ( -9.163 -5.995 8.602) 13.925 19.527 ( 1.936 -3.992 3.213) 5.478 20.444 ( -0.218 1.639 0.088) 1.655 20.468 ( -0.783 2.325 0.223) 2.463 20.984 ( -10.776 3.392 -15.547) 19.218 21.137 ( 23.349 -3.198 -15.037) 27.956 21.700 ( -0.003 4.503 1.140) 4.645 21.939 ( 0.766 3.293 -2.705) 4.330 22.667 ( -1.306 1.946 8.451) 8.770 22.759 ( -8.179 -4.329 11.228) 14.550 23.300 ( -0.858 5.560 -1.237) 5.760 23.579 ( -4.413 18.966 -22.987) 30.126 25.939 ( -1.309 -0.587 0.224) 1.452 26.010 ( -1.021 -2.387 3.164) 4.093 26.597 ( 3.283 -14.034 12.229) 18.902 26.786 ( 0.880 -3.342 2.650) 4.355 ======================= Grid point 70 (28/100) ======================= q-point: ( 0.17 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 14.699 26.130 26.143) 39.778 1.771 ( 10.035 30.123 36.495) 48.373 2.858 ( 31.858 21.744 55.931) 67.941 3.111 ( -6.457 7.009 0.718) 9.557 3.520 ( -6.754 -1.298 3.966) 7.939 3.522 ( -2.884 2.408 -12.271) 12.833 3.694 ( -2.485 3.768 0.173) 4.517 3.904 ( -7.135 10.044 -7.875) 14.622 3.979 ( -5.490 -1.681 0.769) 5.792 4.018 ( -13.330 6.143 5.064) 15.527 4.393 ( 3.824 4.433 -5.283) 7.886 4.556 ( 11.302 7.858 -10.254) 17.165 4.734 ( -2.646 4.217 7.914) 9.349 4.835 ( 4.476 -1.124 -3.436) 5.753 4.866 ( -2.590 -0.509 0.832) 2.767 5.032 ( 4.981 1.302 -2.370) 5.668 5.093 ( -0.858 -1.916 -7.451) 7.741 5.361 ( -2.811 -0.087 7.506) 8.016 5.442 ( -1.271 4.109 -3.030) 5.262 5.610 ( 2.616 0.493 -11.034) 11.351 5.673 ( 5.598 3.428 7.225) 9.762 5.802 ( -1.942 1.122 -2.072) 3.053 5.848 ( -5.114 -1.236 2.387) 5.777 5.907 ( 5.446 -10.772 -1.297) 12.140 6.120 ( 4.429 -7.560 -5.391) 10.288 6.207 ( -4.098 -2.429 0.050) 4.764 6.344 ( 2.721 -1.706 -4.341) 5.400 6.520 ( -2.498 -0.658 2.849) 3.845 6.599 ( 0.090 0.436 -2.351) 2.393 6.668 ( -3.498 -8.033 -0.745) 8.793 6.747 ( -3.767 2.800 -2.621) 5.376 6.855 ( -3.991 0.517 -8.909) 9.776 7.060 ( 1.159 5.027 -3.480) 6.223 7.155 ( 3.059 0.175 -3.876) 4.941 7.238 ( 2.447 0.904 -5.335) 5.939 7.339 ( 0.371 -6.034 1.963) 6.356 7.559 ( 3.529 -6.038 2.935) 7.585 7.627 ( 1.547 -10.277 -4.855) 11.471 7.631 ( -4.005 -8.172 0.228) 9.104 7.829 ( -1.259 -3.153 -1.986) 3.933 7.946 ( 2.092 6.471 -3.682) 7.733 8.035 ( -2.839 -11.564 3.655) 12.455 8.090 ( -2.734 -7.747 -1.275) 8.314 8.220 ( -0.460 -3.651 6.457) 7.432 8.296 ( -2.870 0.639 3.952) 4.926 8.378 ( -2.490 -0.856 -2.000) 3.306 8.602 ( -8.826 7.432 7.143) 13.570 8.763 ( -7.103 5.714 -5.463) 10.628 8.815 ( 1.859 3.655 -2.569) 4.839 8.872 ( -2.104 4.705 2.460) 5.711 8.997 ( -1.641 -1.579 2.366) 3.284 9.320 ( -8.890 7.800 5.209) 12.923 9.473 ( -1.153 -0.071 3.537) 3.721 9.615 ( -1.393 1.510 -5.744) 6.100 9.704 ( -10.275 5.169 -0.191) 11.504 9.886 ( -4.968 8.797 -4.259) 10.963 10.198 ( 9.419 5.254 -2.378) 11.045 10.300 ( 2.776 -5.617 5.661) 8.444 10.408 ( 3.115 2.190 -2.041) 4.320 10.542 ( -1.217 -11.001 -3.657) 11.656 10.904 ( -4.072 -3.340 1.766) 5.555 10.990 ( 3.610 -3.249 6.902) 8.440 11.123 ( 0.353 -3.373 1.491) 3.705 11.211 ( 5.318 2.488 -1.360) 6.027 11.374 ( 8.184 -0.167 -3.780) 9.016 11.599 ( 2.522 -6.267 -1.048) 6.837 11.885 ( 0.006 6.145 1.403) 6.303 11.940 ( 2.072 -3.040 9.322) 10.022 12.043 ( -1.960 -5.962 2.479) 6.748 12.271 ( -1.757 3.155 7.571) 8.388 12.470 ( -1.462 -6.650 1.527) 6.978 12.585 ( -3.264 -5.009 2.040) 6.317 12.684 ( 7.364 -4.715 5.871) 10.532 12.978 ( 0.066 5.412 -8.384) 9.980 13.167 ( 4.871 2.070 6.689) 8.530 13.367 ( 1.198 0.277 -11.912) 11.975 13.652 ( -7.772 16.124 -5.981) 18.872 14.070 ( 3.018 -12.264 -7.817) 14.853 14.316 ( 7.321 -2.045 3.701) 8.455 14.430 ( -0.124 -13.358 2.044) 13.514 14.771 ( -1.219 -21.771 5.218) 22.420 15.000 ( -4.989 2.718 -4.308) 7.130 15.312 ( -3.879 8.619 3.479) 10.071 15.366 ( -4.277 8.433 0.787) 9.488 15.591 ( 1.604 0.571 -1.218) 2.093 15.941 ( 2.012 15.127 -10.293) 18.408 16.071 ( 1.192 9.756 3.084) 10.301 16.123 ( -1.892 6.530 4.340) 8.066 17.249 ( 3.747 -4.985 -2.646) 6.774 17.343 ( 1.120 -2.453 -0.835) 2.823 18.253 ( -2.602 -3.842 0.079) 4.641 19.079 ( 12.037 -31.888 7.739) 34.951 19.218 ( 10.198 -3.278 -3.793) 11.363 19.707 ( 11.949 -4.087 4.971) 13.572 20.395 ( -3.924 1.294 -0.278) 4.141 20.470 ( -1.447 1.780 -0.529) 2.355 20.671 ( -10.868 5.967 -12.160) 17.366 21.417 ( 17.739 -13.552 -13.889) 26.292 21.695 ( -0.547 4.110 -1.059) 4.279 21.972 ( 4.799 4.370 -3.367) 7.312 22.630 ( -7.347 2.211 8.406) 11.381 22.784 ( -0.252 -1.207 12.425) 12.486 23.276 ( -0.189 6.899 -2.229) 7.253 23.396 ( -2.385 16.810 -10.590) 20.010 25.889 ( -1.869 1.494 -3.773) 4.468 26.044 ( 2.060 -3.211 2.365) 4.488 26.557 ( -13.135 -6.780 12.125) 19.119 26.781 ( -2.338 -2.528 1.473) 3.746 ======================= Grid point 71 (29/100) ======================= q-point: ( 0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 14.035 15.408 24.807) 32.400 2.302 ( 23.090 26.401 24.419) 42.737 2.838 ( -17.899 9.164 -5.640) 20.885 3.166 ( -23.038 1.753 -5.561) 23.765 3.396 ( -4.780 -3.255 1.890) 6.084 3.500 ( -19.389 6.148 -8.807) 22.165 3.687 ( 8.597 0.786 -12.955) 15.568 3.847 ( 12.023 5.540 29.943) 32.739 3.936 ( 3.410 -1.941 2.593) 4.703 4.085 ( 3.786 10.500 9.278) 14.514 4.380 ( -0.231 -3.635 7.119) 7.997 4.629 ( -0.728 3.165 0.091) 3.249 4.759 ( 2.893 3.890 -5.760) 7.528 4.834 ( -1.501 5.411 5.527) 7.879 4.903 ( 7.564 2.270 -3.713) 8.727 5.044 ( 0.547 -2.195 -2.313) 3.235 5.124 ( 7.421 6.097 -7.220) 12.015 5.345 ( -1.227 0.356 6.348) 6.475 5.435 ( 0.155 -0.543 -0.079) 0.570 5.602 ( 4.086 0.097 -8.081) 9.056 5.737 ( -4.218 1.228 -0.582) 4.432 5.810 ( 1.259 0.865 0.546) 1.622 5.876 ( 7.408 -1.223 5.568) 9.347 6.004 ( 0.310 -8.292 4.736) 9.554 6.059 ( -4.216 -5.365 -1.168) 6.922 6.159 ( 0.186 -5.264 -5.694) 7.757 6.343 ( -13.712 2.264 -3.623) 14.362 6.389 ( 3.347 -4.433 0.735) 5.603 6.528 ( -2.684 3.646 -2.271) 5.065 6.619 ( -3.207 2.734 2.279) 4.791 6.683 ( 3.216 1.004 -9.044) 9.651 6.816 ( 2.187 -3.212 -7.299) 8.269 7.036 ( -1.385 5.808 0.416) 5.985 7.152 ( 0.698 -2.038 -4.604) 5.083 7.262 ( 5.366 1.772 -6.750) 8.803 7.333 ( 0.483 -1.524 -4.353) 4.637 7.545 ( -4.467 -7.753 -2.292) 9.237 7.574 ( -0.464 -5.616 -7.223) 9.162 7.681 ( 5.460 -4.296 10.628) 12.697 7.839 ( 1.723 -4.483 -3.750) 6.093 7.933 ( 2.631 0.542 0.325) 2.706 7.993 ( -5.526 -3.630 3.056) 7.284 8.072 ( -1.867 -2.729 -5.005) 5.998 8.122 ( -8.746 3.773 -4.400) 10.492 8.331 ( 3.369 5.349 3.786) 7.369 8.437 ( 0.907 0.239 12.726) 12.761 8.516 ( -9.685 5.053 10.360) 15.055 8.637 ( -2.095 0.012 9.034) 9.274 8.693 ( -7.243 3.181 0.067) 7.911 8.981 ( 7.480 5.220 -3.090) 9.631 9.052 ( 0.113 3.286 1.378) 3.565 9.200 ( -4.084 4.639 4.215) 7.481 9.381 ( -10.186 8.757 3.994) 14.014 9.590 ( 0.017 1.735 -5.630) 5.892 9.623 ( 5.722 -3.666 -1.478) 6.955 9.910 ( 5.805 1.650 0.491) 6.055 10.167 ( -3.436 -2.536 -6.814) 8.042 10.289 ( -0.674 -5.808 -4.766) 7.544 10.425 ( -10.346 -10.999 0.860) 15.125 10.670 ( 12.723 1.374 4.858) 13.688 10.773 ( -2.525 -5.036 0.041) 5.634 11.050 ( -7.723 -4.069 -1.246) 8.817 11.149 ( 4.060 -6.705 5.275) 9.449 11.278 ( 0.587 7.911 -1.564) 8.085 11.410 ( 6.454 -8.811 -14.792) 18.387 11.622 ( 2.629 -8.607 -5.988) 10.810 11.847 ( -1.106 7.110 -4.996) 8.760 12.031 ( -3.496 1.189 5.688) 6.782 12.154 ( 8.600 -8.831 7.179) 14.265 12.315 ( -1.089 -1.710 13.760) 13.909 12.378 ( -9.326 -2.027 -0.775) 9.575 12.564 ( 0.234 4.899 2.367) 5.446 12.791 ( -0.539 -4.568 4.170) 6.209 12.982 ( 6.371 6.377 -5.167) 10.390 13.212 ( -4.932 4.833 -16.988) 18.338 13.285 ( -0.689 8.102 9.526) 12.524 13.547 ( 0.617 6.658 -2.184) 7.034 14.080 ( 6.226 -13.106 -3.610) 14.952 14.415 ( 1.787 -19.212 -0.154) 19.296 14.550 ( 6.560 2.671 5.165) 8.766 14.827 ( 1.999 -21.951 4.695) 22.536 14.882 ( -5.156 -1.437 1.015) 5.448 15.251 ( -4.775 13.963 5.129) 15.623 15.342 ( -0.671 2.436 1.643) 3.014 15.608 ( 1.089 -1.511 -1.724) 2.538 15.893 ( 0.858 11.448 -10.302) 15.425 16.084 ( 0.203 1.753 1.999) 2.667 16.185 ( 1.595 17.475 7.537) 19.098 17.251 ( 1.424 -8.174 -6.450) 10.509 17.393 ( 2.300 -2.412 0.113) 3.335 18.216 ( 0.213 -0.940 -0.822) 1.267 19.010 ( -9.689 -3.649 4.390) 11.246 19.545 ( 19.126 -20.314 -9.407) 29.444 19.920 ( 5.662 -4.614 2.555) 7.738 20.281 ( -10.522 -0.113 -3.848) 11.204 20.336 ( -2.653 0.314 -0.800) 2.789 20.582 ( 2.691 2.319 -3.630) 5.079 21.554 ( 8.828 -13.837 -12.556) 20.665 21.675 ( -0.985 3.858 -0.007) 3.982 22.029 ( 4.082 5.965 -4.254) 8.388 22.579 ( -3.980 2.986 5.862) 7.689 22.865 ( -0.997 -4.807 12.080) 13.040 23.275 ( 1.349 8.706 -1.113) 8.880 23.339 ( 1.055 12.530 -2.261) 12.776 25.831 ( -1.095 1.450 -5.455) 5.750 26.102 ( 2.125 -2.668 2.779) 4.399 26.404 ( -12.255 -0.254 10.354) 16.046 26.737 ( -2.682 -2.209 -0.815) 3.569 ======================= Grid point 72 (30/100) ======================= q-point: (-0.50 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -25.315 7.361 15.068) 30.366 2.495 ( -10.751 13.558 8.109) 19.109 2.665 ( -3.453 4.976 -13.219) 14.541 2.967 ( 10.891 25.922 17.449) 33.091 3.221 ( 1.665 0.613 -9.999) 10.155 3.342 ( -0.950 -2.968 -1.102) 3.305 3.593 ( -16.058 0.076 -8.524) 18.181 3.841 ( 7.962 -0.064 -10.096) 12.858 4.005 ( -5.645 3.715 4.759) 8.266 4.110 ( -6.188 11.923 5.873) 14.660 4.457 ( -6.065 -3.136 -0.392) 6.839 4.605 ( -6.038 -0.287 12.186) 13.603 4.755 ( 0.519 2.941 -7.390) 7.970 4.892 ( 2.633 2.261 3.971) 5.274 5.020 ( 5.165 5.418 -0.119) 7.487 5.174 ( 7.189 1.337 12.664) 14.623 5.229 ( 8.580 4.854 -2.671) 10.213 5.378 ( -4.493 -1.466 4.012) 6.199 5.481 ( 9.421 -3.803 -1.549) 10.277 5.636 ( -2.906 -0.808 -1.605) 3.416 5.684 ( 6.048 5.234 -1.757) 8.189 5.768 ( -8.369 1.049 -1.378) 8.546 5.898 ( -1.997 -2.499 6.646) 7.376 5.983 ( -5.313 -2.672 -2.794) 6.571 6.015 ( 2.140 -6.941 1.709) 7.462 6.156 ( 1.904 -2.417 -2.307) 3.846 6.308 ( 8.713 -3.941 4.978) 10.781 6.426 ( -0.381 -6.531 1.781) 6.780 6.515 ( -2.337 2.068 -3.367) 4.591 6.532 ( -0.716 6.477 -1.039) 6.599 6.762 ( 6.021 4.360 2.596) 7.874 6.779 ( 1.236 -5.073 -10.299) 11.547 7.044 ( 5.198 0.138 -3.937) 6.522 7.134 ( 0.880 1.381 -4.451) 4.743 7.293 ( -1.662 -5.000 -4.310) 6.807 7.356 ( 6.248 0.152 -2.847) 6.868 7.432 ( -4.005 -1.728 -7.752) 8.895 7.567 ( -1.663 -6.203 4.095) 7.616 7.739 ( -2.514 -1.429 -4.347) 5.221 7.855 ( -8.633 -3.678 5.782) 11.023 7.888 ( -0.900 4.072 0.447) 4.194 7.949 ( 3.745 7.316 -3.872) 9.086 8.004 ( 1.034 -1.914 -3.892) 4.459 8.075 ( 5.388 3.371 2.081) 6.688 8.386 ( -0.909 -1.285 5.617) 5.833 8.436 ( 2.872 7.351 -3.530) 8.646 8.574 ( -5.136 2.220 22.043) 22.742 8.631 ( -1.984 -4.020 3.242) 5.532 8.743 ( 5.946 -0.689 8.758) 10.609 8.993 ( -1.524 -0.289 -2.206) 2.697 9.079 ( 3.411 8.215 2.765) 9.315 9.216 ( -0.915 12.144 5.592) 13.401 9.341 ( 3.354 -1.943 5.807) 6.981 9.530 ( -5.107 1.249 -1.699) 5.526 9.701 ( 1.383 -0.824 -3.206) 3.587 9.986 ( 0.363 14.030 -5.754) 15.168 10.079 ( -0.196 -25.307 -3.296) 25.522 10.267 ( 2.951 -9.534 -4.199) 10.827 10.312 ( -0.438 -0.605 3.435) 3.515 10.694 ( 0.980 -5.231 -4.950) 7.268 10.822 ( -10.865 -9.433 1.511) 14.468 10.969 ( 5.469 8.628 -0.310) 10.220 11.108 ( -6.354 -6.258 -5.486) 10.471 11.300 ( 5.208 -3.557 -0.375) 6.318 11.467 ( 6.580 -1.804 -8.950) 11.254 11.595 ( -1.235 -2.995 -8.573) 9.164 11.783 ( 0.543 3.554 -8.252) 9.001 11.940 ( -9.091 2.968 -3.382) 10.144 12.146 ( -8.828 -3.142 2.351) 9.661 12.319 ( 0.697 -8.586 9.379) 12.735 12.364 ( -2.975 1.008 2.845) 4.238 12.590 ( -0.956 6.210 4.068) 7.485 12.798 ( -0.731 -2.299 3.048) 3.887 13.040 ( -0.659 7.771 -10.909) 13.410 13.073 ( 4.073 3.528 -0.334) 5.399 13.291 ( -2.283 6.216 0.606) 6.650 13.609 ( 5.448 2.345 1.300) 6.072 14.227 ( 6.818 -11.519 3.545) 13.847 14.434 ( 5.218 -16.743 -2.501) 17.714 14.618 ( -2.760 0.123 2.692) 3.857 14.865 ( 1.342 -0.767 6.135) 6.327 14.888 ( -2.459 -25.733 9.357) 27.492 15.253 ( 0.435 11.685 7.147) 13.704 15.353 ( 0.154 1.671 2.507) 3.017 15.594 ( -0.549 -1.397 -3.417) 3.732 15.833 ( 0.421 10.335 -9.999) 14.387 16.119 ( 0.856 1.871 5.015) 5.420 16.252 ( -0.218 19.116 8.051) 20.744 17.229 ( 2.141 -8.666 -8.798) 12.534 17.381 ( -2.171 -2.457 -3.733) 4.969 18.270 ( 4.217 -0.831 4.097) 5.938 18.847 ( -9.531 -2.070 -3.992) 10.539 19.688 ( -1.391 -3.538 -8.995) 9.766 19.844 ( -0.356 -15.552 -9.454) 18.204 20.253 ( 1.864 -3.712 3.655) 5.533 20.351 ( 4.190 -2.052 3.768) 5.997 20.607 ( 2.458 2.743 -2.102) 4.241 21.560 ( 3.891 -10.376 -16.814) 20.138 21.671 ( -1.187 2.446 4.119) 4.936 22.049 ( 1.528 6.916 -4.032) 8.150 22.568 ( -1.416 2.388 4.215) 5.047 22.902 ( -3.182 -8.053 9.111) 12.570 23.291 ( 0.852 7.446 0.159) 7.496 23.420 ( 6.869 12.820 4.843) 15.329 25.778 ( -0.743 1.723 -4.666) 5.029 26.141 ( -0.629 -1.766 3.551) 4.016 26.281 ( -8.206 2.602 6.022) 10.506 26.692 ( -0.467 -2.007 -2.688) 3.387 ======================= Grid point 73 (31/100) ======================= q-point: (-0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -38.371 9.246 12.895) 41.523 1.948 ( -41.974 14.039 -7.529) 44.895 2.553 ( -20.292 22.365 10.504) 31.974 3.178 ( 4.472 6.938 -2.055) 8.507 3.310 ( 6.676 2.643 0.692) 7.213 3.416 ( 6.924 8.099 8.810) 13.826 3.549 ( 16.329 7.693 -0.849) 18.070 3.899 ( 1.547 1.071 -4.401) 4.787 3.952 ( -0.747 7.671 0.957) 7.766 4.060 ( -0.201 6.461 3.842) 7.520 4.293 ( -5.885 8.788 -9.175) 14.002 4.574 ( -4.827 -2.352 7.513) 9.234 4.715 ( 1.653 0.963 -4.579) 4.962 4.895 ( -2.769 11.183 -1.120) 11.574 5.093 ( -2.891 -1.187 0.888) 3.249 5.193 ( -5.889 -1.119 5.373) 8.050 5.268 ( -1.760 -4.844 -1.295) 5.314 5.439 ( 8.914 1.452 1.488) 9.153 5.475 ( -5.535 0.019 2.335) 6.007 5.604 ( -8.356 1.017 9.363) 12.590 5.702 ( 6.484 0.607 -4.529) 7.933 5.839 ( 8.589 0.985 -4.052) 9.547 5.846 ( -2.463 -4.603 -2.204) 5.667 5.992 ( 3.003 -5.829 4.663) 8.046 6.042 ( -1.084 -1.955 -0.101) 2.237 6.251 ( 5.904 -1.354 2.092) 6.408 6.319 ( -8.648 0.435 -5.214) 10.108 6.401 ( -1.996 -5.258 -3.213) 6.477 6.474 ( 3.648 -1.625 -1.226) 4.177 6.625 ( 3.595 0.961 4.616) 5.929 6.772 ( 7.593 -4.915 -10.347) 13.743 6.872 ( 1.395 5.750 4.873) 7.665 7.078 ( 1.722 -6.093 -7.299) 9.662 7.139 ( 1.254 1.594 -9.935) 10.140 7.244 ( 2.637 -0.938 -1.981) 3.429 7.304 ( -1.779 -1.833 0.149) 2.559 7.375 ( -2.732 0.804 -1.595) 3.264 7.513 ( -6.082 -3.889 5.499) 9.075 7.781 ( 3.606 -0.275 -0.671) 3.678 7.809 ( 0.328 -3.372 1.409) 3.669 7.858 ( 3.305 -3.480 3.363) 5.860 7.997 ( 0.905 3.924 3.080) 5.070 8.082 ( 3.889 -1.944 3.974) 5.890 8.136 ( -2.782 3.282 4.740) 6.402 8.451 ( 8.937 4.774 -17.101) 19.877 8.488 ( 0.536 0.016 5.127) 5.155 8.577 ( -0.007 -5.397 8.347) 9.940 8.644 ( -3.344 0.210 8.180) 8.839 8.906 ( 7.141 -2.037 3.841) 8.360 8.992 ( 1.997 -2.162 -2.086) 3.608 9.168 ( 0.770 1.468 14.716) 14.809 9.328 ( 3.371 9.756 -2.726) 10.676 9.389 ( 3.940 0.847 3.864) 5.583 9.517 ( 1.327 3.441 13.443) 13.939 9.633 ( -4.512 -5.747 -3.858) 8.262 9.930 ( -4.483 3.373 -6.583) 8.649 9.974 ( 4.164 7.417 -12.660) 15.252 10.332 ( -1.145 1.396 3.539) 3.973 10.449 ( 7.103 -14.726 3.931) 16.815 10.629 ( -4.184 -2.556 -0.847) 4.976 10.683 ( 1.696 0.912 -8.176) 8.399 10.920 ( -4.892 -4.588 -6.092) 9.061 11.080 ( 1.689 -0.059 -0.046) 1.690 11.334 ( -5.887 5.458 -1.488) 8.165 11.446 ( 1.411 2.801 -9.893) 10.378 11.503 ( -1.285 -3.970 -4.938) 6.465 11.726 ( -4.435 -1.587 -5.742) 7.427 11.805 ( 4.708 -5.814 -4.530) 8.746 12.104 ( -2.724 -0.038 9.677) 10.053 12.300 ( -4.735 4.857 3.205) 7.502 12.372 ( 0.188 -9.441 2.813) 9.853 12.601 ( -0.190 1.065 3.623) 3.781 12.739 ( -7.876 -1.142 0.946) 8.015 12.998 ( 1.348 -0.516 -5.270) 5.464 13.149 ( 4.767 5.426 -1.003) 7.292 13.244 ( -1.347 7.068 -3.479) 7.992 13.720 ( 5.504 1.207 0.985) 5.720 14.281 ( 3.893 -8.210 -6.166) 10.981 14.495 ( -10.565 -4.279 -1.541) 11.502 14.649 ( 9.823 -17.092 12.820) 23.515 14.853 ( -6.246 -24.152 6.362) 25.745 14.961 ( 0.861 -4.507 8.571) 9.722 15.351 ( 3.249 7.513 5.648) 9.945 15.382 ( 2.254 1.970 4.658) 5.537 15.559 ( -0.006 0.216 -3.776) 3.782 15.778 ( 0.861 11.097 -7.452) 13.394 16.178 ( 0.335 2.241 8.235) 8.541 16.292 ( -1.657 21.157 8.617) 22.905 17.202 ( 2.359 -6.459 -10.205) 12.306 17.296 ( -2.352 -2.102 -6.444) 7.175 18.376 ( 0.505 -2.438 8.240) 8.608 18.587 ( -12.935 -3.973 -15.902) 20.880 19.470 ( -8.966 -1.050 -7.902) 11.998 19.826 ( -2.810 -20.172 -4.225) 20.801 20.331 ( 6.238 -1.948 0.202) 6.538 20.433 ( 1.436 -2.354 0.465) 2.796 20.676 ( 6.432 3.212 1.441) 7.333 21.468 ( 0.539 -6.782 -21.059) 22.131 21.679 ( -1.514 1.900 4.797) 5.377 22.028 ( -0.521 6.500 -4.318) 7.821 22.583 ( -0.407 2.444 4.606) 5.230 22.888 ( -4.953 -9.450 7.589) 13.093 23.308 ( 0.434 5.723 1.078) 5.840 23.617 ( 11.333 12.210 2.360) 16.825 25.760 ( 0.392 2.442 3.562) 4.336 26.118 ( -5.123 -0.432 4.696) 6.963 26.214 ( -1.387 5.118 0.532) 5.329 26.694 ( 2.393 -2.273 -1.992) 3.855 ======================= Grid point 74 (32/100) ======================= q-point: (-0.17 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -26.439 21.044 18.996) 38.765 1.235 ( -29.918 23.875 13.477) 40.580 2.250 ( -31.227 44.960 43.527) 69.937 3.222 ( 2.431 5.046 -3.643) 6.681 3.422 ( 6.096 4.781 -4.907) 9.170 3.576 ( 6.340 2.143 6.352) 9.226 3.770 ( 2.659 3.589 -2.389) 5.065 3.884 ( 0.300 19.986 -0.343) 19.991 3.978 ( 3.416 0.129 1.953) 3.938 4.086 ( 0.862 6.782 1.088) 6.922 4.296 ( 14.294 6.101 -9.383) 18.154 4.533 ( -3.615 2.099 1.739) 4.528 4.735 ( 0.667 1.638 -5.693) 5.961 4.835 ( 0.083 7.032 1.253) 7.143 4.959 ( -8.691 -2.716 0.414) 9.115 5.077 ( -6.403 1.912 -4.006) 7.791 5.303 ( -2.120 -5.015 7.421) 9.204 5.441 ( -1.201 -3.512 3.837) 5.339 5.500 ( -8.549 -1.001 6.279) 10.654 5.562 ( 2.891 -0.365 -0.387) 2.940 5.756 ( 0.672 1.844 -7.736) 7.981 5.782 ( 5.043 0.181 -5.670) 7.590 5.905 ( -4.610 -1.816 -6.035) 7.808 6.042 ( -1.634 1.106 2.765) 3.397 6.091 ( 9.722 -3.069 -1.649) 10.327 6.185 ( 0.216 -1.433 -0.645) 1.586 6.271 ( -5.374 -0.615 0.905) 5.484 6.376 ( 0.505 -3.044 4.548) 5.496 6.503 ( 3.607 -5.012 -2.762) 6.765 6.683 ( 0.678 -2.189 0.944) 2.478 6.825 ( 2.219 1.188 -0.969) 2.697 6.889 ( 6.336 1.391 -8.448) 10.651 7.066 ( 0.522 -5.692 -2.200) 6.124 7.095 ( 3.318 1.326 -5.436) 6.505 7.203 ( -6.151 -1.034 -3.375) 7.092 7.340 ( -1.502 0.456 0.087) 1.573 7.399 ( 3.089 -0.908 6.272) 7.050 7.527 ( 7.180 -9.550 0.097) 11.949 7.768 ( -0.665 -0.717 2.341) 2.537 7.857 ( 2.702 2.895 3.753) 5.456 7.930 ( -4.395 6.701 0.234) 8.017 8.028 ( -0.602 -10.507 5.984) 12.107 8.113 ( -4.290 -10.056 5.258) 12.132 8.140 ( 0.877 0.407 9.094) 9.145 8.416 ( -4.589 -0.910 -10.500) 11.495 8.501 ( 9.946 2.674 -15.120) 18.294 8.636 ( 1.118 -1.615 6.257) 6.558 8.733 ( 5.235 -3.103 1.715) 6.323 8.877 ( -6.605 -7.192 -1.571) 9.890 9.131 ( 9.671 -3.202 2.814) 10.569 9.228 ( -7.098 -0.944 -3.913) 8.160 9.382 ( 7.134 4.481 4.059) 9.352 9.481 ( 1.094 -4.580 2.105) 5.158 9.558 ( 5.203 2.740 12.820) 14.104 9.591 ( -5.113 -0.258 -7.260) 8.884 9.895 ( 2.228 8.288 -3.395) 9.230 10.080 ( 11.366 11.614 4.836) 16.955 10.254 ( -9.065 11.684 -1.287) 14.844 10.451 ( 1.536 3.325 0.804) 3.750 10.667 ( -3.904 -8.149 -6.190) 10.953 10.763 ( 1.781 -2.148 1.377) 3.111 10.809 ( 10.282 -3.570 -1.257) 10.956 11.106 ( 1.043 -2.044 1.539) 2.763 11.199 ( -4.690 4.486 1.787) 6.731 11.370 ( -6.275 6.261 -2.325) 9.164 11.484 ( 5.200 -3.141 -1.553) 6.270 11.767 ( 4.984 -6.590 -4.066) 9.209 11.836 ( 1.738 -5.417 0.263) 5.695 12.108 ( -4.039 -3.572 3.217) 6.279 12.281 ( 0.100 0.578 6.079) 6.107 12.394 ( 1.500 -7.051 2.114) 7.512 12.558 ( -11.883 1.773 1.257) 12.080 12.643 ( -0.124 -1.610 6.053) 6.264 12.997 ( 1.475 -6.654 -1.278) 6.935 13.160 ( 1.127 8.785 -12.239) 15.107 13.276 ( 5.408 7.904 4.854) 10.737 13.803 ( 3.999 -2.058 0.194) 4.502 14.218 ( -16.295 -5.674 -9.570) 19.731 14.320 ( 5.039 -4.796 -9.462) 11.744 14.692 ( -12.252 -34.215 7.116) 37.033 14.890 ( -1.291 -16.901 11.859) 20.687 15.028 ( 6.658 2.309 -2.400) 7.445 15.363 ( -0.936 1.656 -1.216) 2.258 15.528 ( 5.577 3.769 0.566) 6.755 15.550 ( 0.976 2.759 -1.255) 3.184 15.801 ( 5.407 9.663 3.023) 11.478 16.212 ( -3.595 5.398 6.015) 8.845 16.312 ( -4.690 16.861 5.449) 18.330 17.189 ( 1.456 -0.432 -5.819) 6.014 17.260 ( 7.481 -2.089 -2.858) 8.277 18.042 ( -26.557 -3.488 -12.811) 29.691 18.469 ( -0.712 -0.847 3.551) 3.719 19.341 ( -2.083 -3.106 -1.226) 3.936 19.655 ( -13.960 -17.006 2.446) 22.137 20.429 ( 1.794 0.193 0.451) 1.860 20.452 ( 3.015 1.916 -0.466) 3.603 20.844 ( 14.552 -0.565 -4.793) 15.331 21.278 ( -4.632 0.633 -23.350) 23.813 21.688 ( -0.818 3.002 3.711) 4.843 21.976 ( -1.602 4.785 -4.101) 6.502 22.618 ( -0.022 2.716 6.468) 7.015 22.837 ( -7.438 -9.174 8.861) 14.765 23.315 ( -0.347 5.137 0.390) 5.163 23.748 ( 6.337 11.542 -18.744) 22.907 25.873 ( 3.339 -3.073 13.640) 14.375 26.051 ( -5.144 0.595 3.274) 6.126 26.300 ( 11.471 4.429 7.970) 14.653 26.737 ( 2.788 -2.539 0.362) 3.788 ======================= Grid point 75 (33/100) ======================= q-point: ( 0.00 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 8.669 29.521 21.647) 37.620 1.972 ( 8.480 39.561 12.813) 42.440 3.090 ( -6.158 36.274 33.542) 49.787 3.314 ( -1.363 12.915 1.177) 13.040 3.546 ( 0.466 1.524 0.478) 1.663 3.726 ( -4.314 1.913 4.398) 6.451 3.806 ( -0.724 7.432 -8.019) 10.958 4.032 ( 2.450 0.448 -1.768) 3.055 4.157 ( 4.868 4.448 -2.374) 7.009 4.402 ( -6.550 12.973 -5.712) 15.615 4.569 ( -5.027 4.908 -0.101) 7.026 4.644 ( 1.100 -1.009 1.882) 2.403 4.737 ( 6.618 5.983 -13.581) 16.249 4.755 ( 3.254 11.872 -2.694) 12.601 4.954 ( 0.014 1.307 0.481) 1.393 5.038 ( -1.883 1.909 -3.604) 4.492 5.197 ( -6.639 0.713 6.317) 9.192 5.300 ( -5.952 -4.751 0.756) 7.653 5.500 ( -2.353 -5.117 3.256) 6.506 5.523 ( 4.348 -1.570 4.690) 6.585 5.691 ( 2.149 -0.694 -5.282) 5.745 5.715 ( -1.635 -2.115 -6.275) 6.821 5.886 ( -2.633 -7.720 0.566) 8.176 5.906 ( -2.259 -0.886 -3.038) 3.888 6.057 ( -4.761 2.395 1.437) 5.520 6.173 ( 2.263 -0.052 -4.345) 4.900 6.284 ( -0.005 -0.326 0.782) 0.847 6.442 ( 8.246 -4.902 -3.081) 10.075 6.488 ( 0.818 2.568 8.575) 8.989 6.566 ( 1.292 -5.035 0.999) 5.293 6.815 ( -2.672 -3.147 0.767) 4.200 6.915 ( 5.070 -7.185 0.365) 8.801 7.038 ( 4.996 2.286 -4.140) 6.879 7.108 ( -0.186 3.565 -0.612) 3.622 7.246 ( -4.274 -7.312 0.104) 8.470 7.276 ( 4.733 5.796 -3.703) 8.349 7.349 ( 0.126 -7.233 4.266) 8.398 7.460 ( 0.791 -2.027 -2.246) 3.127 7.591 ( -6.156 -6.932 3.709) 9.985 7.796 ( -1.202 -4.936 -2.713) 5.759 7.851 ( -0.658 -5.999 -3.354) 6.904 7.974 ( 2.768 -3.525 4.379) 6.266 8.037 ( -3.510 1.433 5.940) 7.047 8.200 ( -0.210 2.957 -16.448) 16.713 8.273 ( -3.706 -2.394 12.654) 13.401 8.533 ( -0.900 4.493 -11.721) 12.585 8.612 ( -1.085 -6.068 0.718) 6.206 8.813 ( 5.616 4.338 3.619) 7.966 8.882 ( 2.291 0.499 1.632) 2.857 8.983 ( 1.745 4.819 -7.019) 8.691 9.126 ( -6.229 -3.517 -3.572) 7.996 9.337 ( 1.247 -7.095 2.461) 7.612 9.483 ( 2.667 -5.782 11.857) 13.458 9.640 ( -5.332 1.819 9.997) 11.475 9.846 ( -2.019 11.411 -1.418) 11.675 10.076 ( 10.157 4.468 -2.734) 11.428 10.271 ( -2.884 0.046 -15.063) 15.336 10.311 ( -0.595 5.742 -6.911) 9.005 10.429 ( -15.444 1.550 9.143) 18.015 10.572 ( 0.189 0.686 0.745) 1.030 10.719 ( 8.168 4.938 3.415) 10.137 11.024 ( 5.937 -0.955 -3.205) 6.814 11.108 ( -0.872 0.258 -1.234) 1.533 11.264 ( -5.294 0.614 -3.152) 6.191 11.355 ( -3.523 0.969 6.639) 7.578 11.446 ( 3.531 -8.814 -6.600) 11.563 11.632 ( 2.235 -14.124 5.236) 15.228 11.847 ( 11.662 0.630 1.363) 11.758 11.911 ( -1.091 -5.206 -7.762) 9.410 12.163 ( -0.064 -11.892 9.955) 15.509 12.372 ( 2.561 -5.604 2.466) 6.636 12.565 ( -2.939 -0.458 0.828) 3.088 12.627 ( -6.151 6.591 5.669) 10.650 12.874 ( 7.235 -9.917 0.712) 12.296 13.108 ( 0.054 -4.775 -4.717) 6.712 13.443 ( -0.372 3.343 -4.962) 5.995 13.813 ( 5.211 -7.673 -1.461) 9.390 13.882 ( -7.255 -1.051 -5.555) 9.198 14.066 ( -2.420 -14.132 1.027) 14.374 14.261 ( 2.790 -5.203 -2.937) 6.594 14.635 ( -5.786 -4.244 9.691) 12.058 15.098 ( 0.582 -1.660 -1.265) 2.167 15.350 ( -0.022 0.453 1.038) 1.133 15.646 ( -0.436 7.040 -5.530) 8.963 15.729 ( -1.747 8.442 3.378) 9.259 16.117 ( 3.705 8.014 0.052) 8.829 16.181 ( -6.692 1.983 6.673) 9.656 16.514 ( -5.092 19.434 -4.968) 20.695 17.154 ( 1.467 -2.012 -4.621) 5.249 17.298 ( -0.694 -5.323 -0.609) 5.402 17.908 ( 12.555 -5.129 8.444) 15.976 18.386 ( 1.185 -8.285 -0.129) 8.370 19.245 ( -3.752 -1.130 4.916) 6.287 19.452 ( 3.874 -3.987 1.647) 5.798 20.476 ( 1.909 1.362 -0.201) 2.354 20.517 ( -2.496 2.287 1.503) 3.705 20.845 ( 2.118 -9.415 -5.237) 10.979 21.051 ( 1.212 -7.260 -9.811) 12.266 21.806 ( 1.977 5.121 -3.633) 6.583 21.981 ( 1.536 0.908 -4.023) 4.400 22.721 ( -3.226 3.548 8.560) 9.812 22.757 ( -2.803 2.227 8.592) 9.308 23.433 ( 0.008 7.680 -1.745) 7.875 23.788 ( -0.765 4.928 -16.990) 17.706 25.923 ( 0.356 0.243 4.461) 4.482 26.023 ( -3.257 2.606 0.537) 4.205 26.425 ( 1.963 -5.712 6.203) 8.658 26.701 ( 0.652 -5.463 1.718) 5.764 ======================= Grid point 76 (34/100) ======================= q-point: ( 0.17 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 7.410 30.948 12.539) 34.204 2.277 ( 15.245 21.509 32.425) 41.791 3.142 ( -5.059 2.447 -1.201) 5.747 3.455 ( -0.763 19.447 12.394) 23.074 3.511 ( -4.484 5.750 7.469) 10.438 3.684 ( 1.156 9.515 -7.941) 12.447 3.719 ( 0.122 2.012 8.902) 9.127 3.972 ( -5.060 9.849 4.125) 11.816 4.060 ( -17.308 4.372 -11.238) 21.095 4.202 ( 0.543 10.343 -6.301) 12.123 4.487 ( -5.997 1.416 -0.385) 6.174 4.699 ( 3.714 -1.553 2.949) 4.990 4.785 ( 10.824 10.401 -8.009) 17.014 4.846 ( -5.099 3.829 0.961) 6.449 4.956 ( -0.693 3.802 3.989) 5.554 5.038 ( 1.404 0.307 -1.223) 1.887 5.095 ( 5.711 3.132 -9.185) 11.261 5.296 ( 1.575 -5.226 4.740) 7.229 5.455 ( -1.909 -3.781 -1.540) 4.507 5.627 ( 3.255 -0.942 -6.381) 7.225 5.675 ( 0.220 -7.457 1.443) 7.599 5.762 ( 5.024 0.179 4.458) 6.719 5.799 ( -2.370 -0.454 -0.119) 2.416 5.873 ( -2.036 3.254 0.937) 3.951 5.988 ( -2.475 -4.869 -1.516) 5.669 6.174 ( -3.484 2.455 2.349) 4.867 6.279 ( 2.777 -1.229 -1.782) 3.521 6.526 ( 2.512 -4.560 -3.728) 6.403 6.555 ( 0.962 -0.361 4.785) 4.894 6.602 ( 0.379 1.840 -0.183) 1.888 6.765 ( -0.959 -4.720 -2.347) 5.357 6.854 ( -10.533 0.017 -6.026) 12.134 7.070 ( 4.214 -4.518 3.580) 7.141 7.126 ( 0.412 -0.762 0.904) 1.252 7.275 ( 0.912 -0.837 -4.796) 4.953 7.301 ( 3.255 2.286 0.533) 4.013 7.348 ( -2.807 -12.792 -6.494) 14.618 7.530 ( 14.329 3.694 3.610) 15.232 7.617 ( 0.129 4.162 1.715) 4.504 7.733 ( -1.290 -5.193 -6.988) 8.802 7.862 ( 5.656 -8.186 -1.335) 10.040 7.922 ( -3.666 -4.556 -0.866) 5.911 8.059 ( -7.876 3.257 -2.882) 8.997 8.130 ( -1.131 -4.064 12.482) 13.176 8.285 ( 1.233 -2.578 6.175) 6.804 8.436 ( 0.407 8.164 -9.434) 12.483 8.682 ( 2.659 -2.474 5.790) 6.835 8.804 ( -6.959 1.256 -3.242) 7.780 8.858 ( -1.405 3.778 5.258) 6.625 8.948 ( -6.834 1.707 -3.253) 7.759 9.077 ( 8.023 9.015 -5.619) 13.312 9.409 ( 3.292 -3.512 2.748) 5.543 9.541 ( -11.081 3.779 9.995) 15.394 9.646 ( 5.479 -1.838 2.709) 6.383 9.740 ( -8.575 6.273 -2.827) 10.994 10.079 ( -13.098 2.774 -9.944) 16.678 10.089 ( -3.186 1.429 -4.355) 5.582 10.224 ( -8.289 -2.102 3.117) 9.102 10.372 ( 11.901 -2.433 1.066) 12.194 10.632 ( 1.658 6.511 1.211) 6.827 10.828 ( -2.878 -4.651 5.680) 7.885 10.912 ( -7.896 -2.782 -3.683) 9.146 11.085 ( -1.568 -0.031 -3.696) 4.015 11.176 ( 2.577 -7.902 -5.246) 9.828 11.381 ( 1.678 -2.108 -0.783) 2.806 11.486 ( 1.092 -3.981 -3.998) 5.747 11.710 ( 4.496 -16.025 8.815) 18.834 11.887 ( 2.628 -7.603 -3.425) 8.743 12.026 ( 4.936 3.650 3.126) 6.889 12.255 ( 3.195 -5.478 6.775) 9.280 12.354 ( -5.119 -2.568 -0.634) 5.762 12.612 ( 1.196 1.658 5.503) 5.870 12.625 ( 7.129 -1.184 2.778) 7.742 13.001 ( 6.501 -3.139 -1.711) 7.419 13.169 ( 6.242 -2.270 -1.921) 6.914 13.390 ( 0.608 4.182 -1.680) 4.547 13.787 ( 1.419 -10.226 -10.923) 15.030 13.821 ( -3.995 -3.715 -1.941) 5.790 14.056 ( 0.734 -12.449 -1.412) 12.550 14.320 ( 3.164 -10.603 0.969) 11.108 14.576 ( -4.692 5.115 8.717) 11.143 15.061 ( -4.893 2.735 2.381) 6.091 15.373 ( 0.660 1.951 3.666) 4.205 15.569 ( -3.644 6.636 -3.415) 8.305 15.663 ( -4.920 7.882 -1.550) 9.420 16.068 ( -5.993 -1.339 2.398) 6.592 16.189 ( 1.531 10.317 -0.469) 10.440 16.471 ( 1.926 18.985 -0.644) 19.094 17.133 ( -0.998 -6.576 -3.666) 7.595 17.298 ( 2.222 -1.730 0.001) 2.816 18.150 ( 4.366 -6.677 0.940) 8.033 18.537 ( 15.347 -21.233 2.645) 26.332 19.232 ( 0.569 1.696 1.786) 2.528 19.608 ( 9.802 -5.960 4.958) 12.498 20.418 ( -6.951 0.804 0.276) 7.003 20.502 ( -3.390 0.923 0.057) 3.514 20.677 ( -8.169 -2.191 -7.339) 11.198 21.152 ( 11.542 -12.929 -7.268) 18.794 21.793 ( -0.105 5.299 -2.936) 6.059 22.027 ( 6.199 1.116 -4.930) 7.998 22.698 ( -5.116 4.460 8.161) 10.614 22.791 ( -1.574 1.507 9.527) 9.773 23.426 ( 1.051 8.124 -2.090) 8.454 23.645 ( -2.315 8.582 -13.072) 15.808 25.928 ( -1.221 2.230 -2.495) 3.562 26.003 ( 0.031 -0.175 4.398) 4.401 26.447 ( -4.403 -4.618 7.094) 9.542 26.703 ( -1.466 -5.352 0.938) 5.628 ======================= Grid point 77 (35/100) ======================= q-point: ( 0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 6.596 18.939 13.628) 24.247 2.766 ( 9.701 16.163 15.486) 24.397 3.032 ( 1.938 6.403 -0.518) 6.710 3.192 ( -22.861 3.299 -1.318) 23.135 3.386 ( -6.118 6.538 -0.838) 8.993 3.652 ( -0.729 0.177 -12.167) 12.190 3.680 ( -16.687 6.534 -5.471) 18.738 3.824 ( 3.925 0.517 -9.087) 9.912 4.170 ( -1.603 5.284 2.575) 6.093 4.182 ( 5.193 10.634 14.793) 18.944 4.417 ( -2.197 6.888 17.229) 18.684 4.731 ( -4.508 3.416 -3.103) 6.451 4.786 ( 3.250 2.968 1.678) 4.711 4.907 ( 4.430 -0.856 -2.921) 5.375 4.948 ( -2.580 3.349 -1.241) 4.406 5.051 ( 7.925 3.452 5.859) 10.442 5.278 ( 14.702 7.690 -6.406) 17.786 5.350 ( -1.111 -1.241 4.553) 4.848 5.422 ( 1.274 -2.251 -4.214) 4.944 5.639 ( 2.215 4.152 -3.767) 6.028 5.677 ( 0.598 -4.984 2.191) 5.477 5.791 ( -3.003 0.357 1.622) 3.432 5.814 ( 2.410 -4.380 -1.872) 5.338 5.919 ( 0.975 0.361 7.839) 7.908 5.968 ( 2.633 -10.263 -2.508) 10.888 6.144 ( -2.454 6.339 7.497) 10.119 6.289 ( -3.933 -1.037 -0.126) 4.069 6.398 ( -11.905 3.167 -0.534) 12.331 6.581 ( 2.579 -0.303 -4.722) 5.389 6.659 ( 1.325 -1.416 -5.832) 6.146 6.661 ( -0.869 1.204 -1.132) 1.867 6.743 ( 0.013 -6.347 -2.559) 6.844 7.057 ( -4.123 -3.523 -3.082) 6.238 7.149 ( -0.772 1.487 -1.321) 2.134 7.235 ( 1.587 -3.824 -0.824) 4.222 7.274 ( -2.352 -7.806 -0.173) 8.154 7.430 ( 9.783 2.693 -6.329) 11.959 7.586 ( 0.877 4.106 -6.944) 8.115 7.659 ( -3.642 0.020 2.261) 4.287 7.822 ( 10.149 -0.390 2.749) 10.522 7.847 ( -6.849 -4.063 5.194) 9.508 7.938 ( 3.449 -0.359 -3.772) 5.123 8.030 ( 10.815 -3.561 -1.150) 11.444 8.187 ( -1.689 1.426 5.515) 5.942 8.374 ( 4.055 -3.107 0.170) 5.111 8.417 ( -1.456 4.377 4.739) 6.614 8.605 ( -9.713 3.409 -3.191) 10.777 8.717 ( -2.941 7.685 7.505) 11.137 8.805 ( -5.380 4.555 1.436) 7.194 9.002 ( 10.287 0.131 4.790) 11.349 9.153 ( 1.488 4.596 -1.600) 5.089 9.345 ( -10.702 11.636 -0.657) 15.823 9.506 ( -0.447 -0.038 5.417) 5.435 9.599 ( -4.031 1.938 1.598) 4.750 9.648 ( -3.128 3.210 -2.934) 5.357 9.797 ( -11.575 -9.102 -6.445) 16.074 10.043 ( 2.622 -0.030 -1.908) 3.243 10.225 ( 4.587 -0.573 1.130) 4.759 10.473 ( -3.840 2.653 -1.709) 4.970 10.602 ( -6.443 -7.482 -0.774) 9.905 10.714 ( -1.771 4.134 3.631) 5.780 10.870 ( -2.444 -14.594 0.664) 14.812 11.026 ( -0.163 -7.067 -1.051) 7.147 11.254 ( 5.243 -6.198 -10.580) 13.335 11.376 ( 3.336 -1.871 -3.037) 4.884 11.435 ( -0.082 -9.127 -4.800) 10.313 11.841 ( -1.913 -13.886 12.147) 18.548 11.925 ( 2.635 -5.314 -5.777) 8.280 12.114 ( 4.543 7.533 4.892) 10.066 12.194 ( -5.287 -7.875 -3.526) 10.120 12.385 ( 3.087 -1.191 -1.434) 3.606 12.721 ( 5.855 6.040 4.476) 9.528 12.763 ( 4.047 0.816 4.442) 6.064 13.059 ( -0.890 2.568 1.025) 2.905 13.176 ( 2.704 -2.835 -13.063) 13.638 13.466 ( 1.832 5.883 4.927) 7.889 13.703 ( -5.592 4.808 0.348) 7.383 13.800 ( 7.914 -12.799 -4.204) 15.624 14.052 ( 1.238 -16.198 -4.429) 16.838 14.339 ( -1.844 -18.509 5.275) 19.334 14.642 ( 2.796 5.116 6.600) 8.807 14.980 ( -5.653 6.088 3.423) 8.985 15.405 ( -0.084 3.448 2.349) 4.173 15.493 ( -4.119 9.109 2.232) 10.243 15.587 ( -0.645 1.392 -4.731) 4.974 16.003 ( -2.782 -0.286 1.554) 3.199 16.189 ( -0.324 9.932 -1.048) 9.992 16.531 ( 2.329 15.813 4.397) 16.577 17.088 ( -0.420 -7.871 -4.247) 8.953 17.339 ( 1.690 -2.261 -0.819) 2.939 18.177 ( 1.999 -3.261 -2.085) 4.356 18.747 ( 4.242 -22.603 -0.550) 23.004 19.325 ( 10.449 -1.473 -2.186) 10.777 19.801 ( 4.978 -7.163 4.989) 10.049 20.244 ( -11.728 -2.866 -2.250) 12.281 20.340 ( -6.276 -0.466 -2.458) 6.757 20.637 ( 2.495 3.445 -1.080) 4.389 21.273 ( 7.146 -13.985 -6.373) 16.948 21.775 ( 0.062 5.857 -1.985) 6.184 22.097 ( 5.699 0.946 -6.446) 8.656 22.667 ( -4.387 5.693 7.361) 10.288 22.819 ( -2.829 -0.277 9.282) 9.708 23.445 ( 2.250 8.400 -1.852) 8.891 23.557 ( 0.599 9.142 -5.617) 10.746 25.876 ( -1.439 3.192 -4.101) 5.393 26.056 ( 1.232 -1.545 5.578) 5.918 26.392 ( -6.177 -1.114 5.416) 8.290 26.669 ( -1.970 -4.720 -1.110) 5.234 ======================= Grid point 78 (36/100) ======================= q-point: (-0.50 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( -18.087 13.862 3.628) 23.075 2.708 ( 1.356 7.693 0.305) 7.818 2.835 ( -12.641 12.064 -8.942) 19.629 3.238 ( -4.407 -0.412 -4.121) 6.048 3.294 ( 1.992 5.618 1.754) 6.213 3.543 ( 13.362 25.738 12.489) 31.575 3.583 ( -1.553 -0.210 -8.727) 8.866 3.839 ( 6.190 1.193 -10.859) 12.556 4.056 ( -9.974 1.391 4.492) 11.027 4.314 ( 3.771 4.556 5.151) 7.843 4.479 ( -5.917 7.748 9.439) 13.569 4.677 ( -4.439 6.945 6.192) 10.309 4.801 ( 0.233 1.039 -7.442) 7.518 4.886 ( 1.483 0.651 3.672) 4.013 5.004 ( 2.585 -4.936 5.321) 7.705 5.243 ( 4.259 -3.385 3.788) 6.629 5.321 ( 0.219 0.149 -1.713) 1.733 5.425 ( -0.328 8.377 -2.337) 8.703 5.502 ( 9.339 7.376 -2.356) 12.131 5.625 ( -3.653 -1.367 3.868) 5.493 5.712 ( -1.430 -1.886 0.597) 2.441 5.753 ( 2.844 -1.292 0.906) 3.253 5.830 ( -1.920 -0.086 -1.655) 2.537 5.973 ( -2.441 -3.102 -3.552) 5.310 5.987 ( -0.224 3.111 7.832) 8.430 6.121 ( -1.119 -2.131 3.446) 4.203 6.243 ( -4.986 0.546 6.362) 8.101 6.274 ( 3.751 -3.293 5.511) 7.435 6.548 ( -3.512 0.861 -6.450) 7.395 6.602 ( 3.192 -0.016 -5.163) 6.070 6.680 ( 0.522 -3.592 -7.061) 7.939 6.820 ( 7.761 -1.801 2.386) 8.317 6.947 ( -2.113 -5.440 -7.026) 9.134 7.126 ( -0.452 -3.671 -0.690) 3.762 7.229 ( -2.681 -2.026 -0.101) 3.362 7.286 ( 3.912 -4.887 -2.188) 6.631 7.529 ( 2.508 11.664 -4.411) 12.720 7.567 ( -0.101 3.961 0.566) 4.002 7.640 ( 4.671 -4.179 -2.581) 6.778 7.782 ( -5.880 -3.983 6.682) 9.752 7.881 ( -2.442 -5.105 -1.119) 5.768 8.053 ( 1.379 3.215 -1.304) 3.734 8.092 ( 1.102 6.947 -8.871) 11.321 8.196 ( 3.867 0.952 6.070) 7.260 8.325 ( -8.708 -1.399 5.558) 10.425 8.434 ( -2.887 -6.975 9.913) 12.460 8.572 ( 4.595 4.546 -5.124) 8.248 8.730 ( 4.543 3.045 5.270) 7.595 8.839 ( 0.951 14.103 3.768) 14.628 9.044 ( -6.301 7.529 -0.323) 9.823 9.193 ( 2.254 5.450 5.430) 8.016 9.242 ( 0.704 -5.314 -2.875) 6.083 9.471 ( -2.705 8.872 4.825) 10.455 9.518 ( -9.134 -10.659 -2.416) 14.243 9.639 ( 3.709 -3.479 -0.418) 5.103 9.739 ( 9.480 1.746 2.652) 9.998 10.116 ( 5.438 -2.369 -3.379) 6.826 10.315 ( -3.571 10.182 -0.174) 10.791 10.334 ( 0.716 0.884 -3.722) 3.892 10.547 ( 2.382 -7.922 0.789) 8.310 10.621 ( -8.537 -4.122 -0.116) 9.481 10.864 ( -1.212 -14.031 -0.395) 14.089 11.091 ( 5.432 -5.690 3.394) 8.567 11.176 ( 3.013 -3.187 -15.775) 16.374 11.408 ( -0.099 -7.001 -3.660) 7.901 11.505 ( 7.447 -6.696 -1.011) 10.066 11.776 ( -9.751 -12.581 4.571) 16.561 11.896 ( -4.236 1.930 -3.525) 5.839 12.117 ( -1.110 -12.672 -1.098) 12.768 12.194 ( 0.748 6.446 -1.940) 6.773 12.353 ( -2.260 -0.603 -5.153) 5.659 12.777 ( -4.227 9.925 4.545) 11.706 12.826 ( 0.845 3.577 2.444) 4.414 13.069 ( 1.026 -0.832 0.933) 1.618 13.097 ( 1.575 -1.840 -14.094) 14.300 13.470 ( -5.711 7.681 4.560) 10.602 13.664 ( 2.821 2.502 0.433) 3.795 13.980 ( 5.184 -12.155 4.169) 13.856 14.093 ( 10.307 -15.605 -1.162) 18.737 14.344 ( -2.884 -22.150 7.290) 23.496 14.663 ( -4.729 2.195 1.729) 5.493 14.945 ( -1.486 5.669 4.830) 7.594 15.397 ( -1.737 1.836 1.313) 2.848 15.479 ( 0.248 10.495 3.784) 11.159 15.564 ( 1.767 -0.262 -4.958) 5.270 15.986 ( -0.394 3.511 0.333) 3.548 16.188 ( -0.329 7.301 3.521) 8.112 16.596 ( 0.936 14.503 6.122) 15.770 17.068 ( 1.822 -7.041 -4.752) 8.688 17.327 ( -1.346 -2.350 -3.706) 4.590 18.225 ( 3.833 -3.846 0.996) 5.520 18.685 ( -6.889 -16.083 -7.504) 19.038 19.504 ( 8.573 -7.552 -1.775) 11.562 19.702 ( -13.176 -3.017 -4.208) 14.157 20.172 ( 1.405 -4.314 1.729) 4.855 20.302 ( 3.519 -3.465 0.436) 4.958 20.678 ( 1.901 4.321 1.335) 4.906 21.309 ( 2.541 -13.250 -7.377) 15.376 21.767 ( 0.267 5.964 -1.319) 6.114 22.126 ( 2.910 0.831 -7.193) 7.803 22.652 ( -2.899 5.860 6.754) 9.400 22.820 ( -3.989 -1.199 8.344) 9.326 23.450 ( 0.323 8.300 -2.089) 8.565 23.616 ( 7.254 7.489 0.485) 10.437 25.832 ( -0.800 3.778 -2.408) 4.551 26.107 ( -0.269 -1.325 5.781) 5.937 26.322 ( -4.463 1.172 2.160) 5.095 26.632 ( -0.359 -4.188 -2.659) 4.974 ======================= Grid point 79 (37/100) ======================= q-point: (-0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( -23.501 22.429 0.192) 32.487 2.332 ( -28.599 26.253 -10.622) 40.249 2.890 ( 8.249 10.618 4.643) 14.225 3.317 ( 11.042 6.718 -6.714) 14.565 3.369 ( 6.152 2.035 5.189) 8.302 3.506 ( -2.192 6.425 -0.294) 6.795 3.858 ( 1.619 14.712 9.110) 17.380 3.903 ( 9.444 -0.866 -10.361) 14.046 3.976 ( 2.525 6.323 10.593) 12.592 4.391 ( 0.029 14.745 2.416) 14.942 4.436 ( 1.627 5.625 -2.021) 6.195 4.625 ( -4.837 8.653 6.402) 11.801 4.765 ( 0.282 4.018 -3.898) 5.606 4.966 ( 2.580 -5.972 -0.419) 6.519 5.061 ( -1.213 0.366 8.214) 8.311 5.183 ( -6.710 -4.144 -0.623) 7.911 5.303 ( -10.516 12.929 2.851) 16.908 5.431 ( 4.778 -4.071 -0.401) 6.290 5.532 ( 2.682 2.602 -4.355) 5.739 5.542 ( -8.797 0.329 1.937) 9.014 5.704 ( -2.691 -6.010 -1.700) 6.800 5.765 ( 1.129 -7.683 -1.341) 7.880 5.816 ( 5.864 0.536 0.463) 5.906 5.950 ( -0.103 3.150 0.267) 3.163 6.017 ( -1.307 -3.397 7.652) 8.474 6.182 ( -2.302 -5.360 2.921) 6.524 6.251 ( 5.328 -0.128 6.524) 8.424 6.367 ( -1.409 -0.287 -6.795) 6.945 6.453 ( -0.447 0.608 -3.912) 3.984 6.615 ( 0.747 -1.666 0.137) 1.831 6.688 ( 5.765 -2.172 -5.479) 8.245 6.892 ( -1.474 -8.862 -3.421) 9.613 6.965 ( 5.035 -1.760 3.753) 6.522 7.141 ( 3.238 0.101 -2.741) 4.244 7.191 ( -1.017 -3.728 0.643) 3.917 7.288 ( 0.301 -3.191 -5.623) 6.473 7.463 ( -6.664 9.330 -4.444) 12.296 7.572 ( -0.124 10.197 -0.311) 10.202 7.722 ( -0.870 -2.475 3.294) 4.211 7.739 ( -3.015 -7.698 2.374) 8.601 7.787 ( 3.722 -0.634 -1.171) 3.953 7.983 ( -7.387 -4.512 3.215) 9.234 8.091 ( -1.849 3.172 2.448) 4.413 8.245 ( -2.609 2.558 10.299) 10.928 8.401 ( 10.454 -7.720 -4.015) 13.601 8.468 ( 3.680 -1.239 2.509) 4.623 8.535 ( -3.453 -1.013 -0.149) 3.601 8.744 ( -9.210 9.459 2.079) 13.365 8.880 ( 5.511 -0.283 0.988) 5.606 8.970 ( -4.548 0.155 -5.907) 7.456 9.254 ( 0.402 7.305 10.007) 12.396 9.306 ( 7.689 -3.574 -5.105) 9.897 9.343 ( -5.137 -8.907 -2.225) 10.520 9.573 ( 6.326 9.556 2.911) 11.824 9.720 ( 2.465 4.346 3.981) 6.388 9.961 ( 12.620 4.475 -5.444) 14.454 10.132 ( 1.496 -8.539 3.883) 9.498 10.292 ( 5.461 8.281 -5.016) 11.115 10.365 ( 0.003 2.514 7.176) 7.604 10.506 ( -1.134 -4.290 -1.503) 4.685 10.690 ( 9.678 -1.373 2.052) 9.988 10.812 ( -1.653 -5.453 -6.604) 8.723 11.137 ( 1.527 3.824 -4.618) 6.187 11.246 ( 6.739 -11.629 -1.247) 13.498 11.383 ( -1.132 -5.063 3.129) 6.059 11.553 ( -0.641 -3.223 -6.783) 7.537 11.642 ( -6.145 -10.149 -1.255) 11.930 11.693 ( -8.381 -0.471 -8.101) 11.666 12.106 ( -1.012 -9.726 -1.046) 9.834 12.157 ( -2.088 1.561 0.196) 2.614 12.310 ( -0.197 -4.862 -1.654) 5.139 12.706 ( -7.079 5.647 6.014) 10.870 12.813 ( -3.224 5.877 0.950) 6.770 12.919 ( -6.646 -2.405 -8.489) 11.046 13.212 ( 8.385 0.650 0.108) 8.411 13.364 ( -6.662 2.637 0.089) 7.166 13.728 ( 2.438 -0.780 -1.491) 2.963 14.071 ( 5.724 -13.403 1.963) 14.705 14.237 ( -2.219 -15.006 2.877) 15.439 14.400 ( 4.035 -15.075 6.598) 16.943 14.512 ( -10.233 -2.539 0.510) 10.556 14.977 ( 1.154 3.220 4.679) 5.797 15.376 ( -1.048 -2.541 -0.136) 2.752 15.544 ( 4.250 10.640 2.597) 11.748 15.590 ( 3.974 3.648 -1.751) 5.672 15.988 ( 1.412 8.680 -1.604) 8.940 16.220 ( -1.578 3.549 8.808) 9.626 16.650 ( -0.001 14.832 6.256) 16.098 17.090 ( 4.557 -4.863 -4.192) 7.873 17.256 ( -2.235 -1.597 -5.933) 6.538 18.286 ( -2.970 -6.815 3.368) 8.161 18.431 ( -10.378 -11.773 -12.716) 20.199 19.424 ( -11.428 -3.013 -0.851) 11.849 19.569 ( -2.668 -6.218 -1.984) 7.051 20.264 ( 9.224 -4.432 -0.484) 10.245 20.395 ( 4.857 -2.449 -0.480) 5.461 20.725 ( 1.815 2.781 2.713) 4.288 21.267 ( -0.659 -11.623 -8.574) 14.458 21.766 ( 0.735 5.537 -1.177) 5.708 22.098 ( -0.277 0.619 -7.126) 7.158 22.661 ( -1.492 5.287 6.813) 8.752 22.801 ( -4.572 -0.787 7.943) 9.198 23.445 ( 0.237 7.840 -0.798) 7.884 23.767 ( 9.273 4.139 -2.313) 10.415 25.826 ( 0.249 4.178 2.723) 4.993 26.116 ( -3.010 0.281 4.842) 5.708 26.282 ( -0.083 1.631 -0.899) 1.864 26.630 ( 1.885 -4.298 -1.864) 5.050 ======================= Grid point 80 (38/100) ======================= q-point: (-0.17 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -10.641 31.398 8.658) 34.264 1.893 ( -9.930 40.927 -2.342) 42.180 3.016 ( -5.919 28.233 25.061) 38.212 3.347 ( -0.713 11.271 -2.198) 11.505 3.514 ( 2.081 3.370 -0.006) 3.961 3.619 ( 14.623 4.030 2.976) 15.458 3.838 ( -2.455 3.174 -1.613) 4.325 3.988 ( 3.333 2.949 0.940) 4.548 4.107 ( 2.634 -0.383 -1.181) 2.912 4.409 ( 3.557 21.190 -0.230) 21.488 4.502 ( 8.361 10.980 -4.884) 14.640 4.619 ( -1.015 7.138 3.442) 7.989 4.761 ( 0.746 2.008 -5.427) 5.835 4.906 ( -6.754 -1.294 2.084) 7.186 5.001 ( -8.179 6.212 -5.425) 11.615 5.086 ( -1.557 0.842 -2.049) 2.708 5.231 ( -4.153 -0.297 10.475) 11.272 5.398 ( -3.660 -2.498 0.415) 4.451 5.443 ( -3.996 -1.866 4.141) 6.050 5.566 ( -2.236 -1.026 1.721) 3.002 5.682 ( 3.679 -2.558 -6.691) 8.052 5.778 ( -0.253 -7.571 -1.937) 7.819 5.872 ( 1.127 -5.385 -1.021) 5.595 5.969 ( -1.530 -5.571 3.273) 6.640 6.108 ( 3.833 7.087 -2.568) 8.456 6.144 ( 2.775 -3.513 2.020) 4.911 6.238 ( -3.167 0.852 -2.976) 4.429 6.375 ( 0.684 -0.946 3.740) 3.918 6.435 ( 1.539 1.840 -1.234) 2.697 6.595 ( -2.276 -6.752 -2.617) 7.591 6.786 ( 7.393 -4.212 0.614) 8.531 6.841 ( -1.232 -6.406 -0.872) 6.582 7.000 ( -0.209 0.294 -1.451) 1.495 7.145 ( -0.160 3.690 -4.550) 5.861 7.210 ( 1.630 2.029 -3.700) 4.524 7.289 ( 1.068 -7.442 3.573) 8.324 7.372 ( 1.262 2.092 -0.580) 2.511 7.482 ( -9.378 2.558 2.307) 9.990 7.719 ( -0.581 -9.920 -4.013) 10.717 7.819 ( 0.206 -1.004 -3.044) 3.212 7.828 ( 4.463 -2.500 9.260) 10.580 7.885 ( -4.804 -9.649 4.710) 11.763 8.070 ( -2.902 5.010 4.627) 7.411 8.236 ( -4.038 4.328 8.443) 10.311 8.367 ( -2.855 -4.235 -15.640) 16.453 8.557 ( 6.906 -1.721 -5.199) 8.814 8.650 ( 0.542 0.373 -1.862) 1.975 8.681 ( 6.552 4.754 5.380) 9.720 8.805 ( -3.196 -2.011 -2.641) 4.608 9.012 ( 5.048 -7.799 5.380) 10.735 9.133 ( -5.909 -1.555 -6.229) 8.726 9.360 ( 1.338 -0.001 9.397) 9.492 9.431 ( -0.948 -8.964 3.082) 9.526 9.672 ( -3.975 3.815 -0.160) 5.512 9.761 ( 11.365 18.667 -3.910) 22.201 10.007 ( -0.202 -1.164 -1.300) 1.757 10.262 ( 5.552 3.875 -2.588) 7.249 10.386 ( 6.695 0.373 -5.934) 8.954 10.481 ( 3.925 4.635 12.400) 13.807 10.574 ( 3.493 3.195 6.073) 7.699 10.657 ( -8.748 -3.727 -7.192) 11.923 10.874 ( 11.019 3.404 -3.857) 12.161 11.122 ( 0.560 2.358 -3.149) 3.974 11.263 ( -0.987 -0.183 3.990) 4.114 11.395 ( -4.330 -0.922 6.283) 7.686 11.476 ( 0.242 -5.674 -8.825) 10.494 11.591 ( 5.813 -11.328 -7.651) 14.855 11.658 ( 4.640 -6.861 1.588) 8.434 12.027 ( -4.909 -3.384 -5.954) 8.426 12.129 ( -2.777 -9.074 5.687) 11.063 12.323 ( 2.000 -6.258 0.039) 6.570 12.629 ( -5.709 -1.168 4.260) 7.218 12.731 ( -10.107 12.848 7.220) 17.870 12.803 ( 2.068 -11.270 -6.362) 13.106 13.209 ( -6.105 -3.517 -3.703) 7.959 13.392 ( 7.453 3.738 0.236) 8.341 13.745 ( 2.079 -3.174 -1.121) 3.956 14.127 ( -6.806 -21.760 5.930) 23.559 14.137 ( -11.313 -3.787 -5.530) 13.150 14.246 ( 0.883 -1.645 -8.618) 8.818 14.596 ( 1.176 -11.447 12.777) 17.195 15.051 ( 4.254 -0.363 1.168) 4.427 15.358 ( -0.151 -2.929 -2.169) 3.648 15.635 ( 4.507 9.519 -1.796) 10.685 15.672 ( 3.754 6.279 4.212) 8.441 16.030 ( 4.787 11.555 -1.186) 12.564 16.233 ( -4.919 0.656 10.003) 11.166 16.644 ( -4.779 14.884 0.605) 15.645 17.177 ( 2.062 -0.954 -5.634) 6.075 17.206 ( 6.410 -3.557 0.516) 7.349 17.967 ( -18.100 -3.992 -7.091) 19.845 18.383 ( 0.151 -7.281 1.297) 7.397 19.286 ( -4.868 -1.809 2.063) 5.588 19.472 ( -5.743 -5.238 0.538) 7.792 20.423 ( 5.456 -1.340 -0.125) 5.620 20.473 ( 6.221 -0.224 -0.675) 6.262 20.774 ( 3.976 -3.097 -1.885) 5.381 21.172 ( -3.477 -8.892 -8.551) 12.817 21.781 ( 2.320 5.160 -2.153) 6.053 22.028 ( -1.916 0.592 -5.897) 6.229 22.691 ( -0.912 4.561 7.587) 8.899 22.774 ( -4.806 0.512 8.176) 9.498 23.443 ( 0.030 7.565 -0.889) 7.617 23.857 ( 5.405 1.755 -11.763) 13.064 25.873 ( 0.626 2.230 6.928) 7.305 26.078 ( -3.908 2.017 2.460) 5.039 26.324 ( 4.681 -0.917 1.354) 4.958 26.664 ( 2.290 -4.854 0.382) 5.381 ======================= Grid point 81 (39/100) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 5.568 27.593 9.623) 29.748 2.658 ( 0.446 30.032 6.407) 30.712 3.296 ( -7.262 1.303 4.275) 8.527 3.448 ( 4.017 -6.830 -2.598) 8.339 3.732 ( -7.125 1.071 1.709) 7.405 3.897 ( -3.408 12.621 1.909) 13.212 3.977 ( 1.187 15.011 6.127) 16.256 4.102 ( 8.967 9.413 5.471) 14.105 4.216 ( 4.381 5.694 1.074) 7.264 4.488 ( 3.687 -4.458 -8.413) 10.210 4.562 ( -8.885 -3.957 -0.022) 9.727 4.604 ( -3.583 -0.454 0.423) 3.636 4.835 ( 6.820 3.468 -15.259) 17.070 4.864 ( -2.770 -4.679 4.512) 7.066 5.030 ( -4.914 -2.112 -5.828) 7.910 5.063 ( -1.318 3.734 -1.410) 4.203 5.243 ( -2.585 2.642 -1.451) 3.971 5.280 ( -2.926 6.259 -0.779) 6.953 5.382 ( -3.957 -6.300 -1.887) 7.675 5.569 ( 4.020 4.674 4.770) 7.795 5.675 ( -1.478 4.657 0.663) 4.931 5.716 ( 2.429 -5.917 3.908) 7.496 5.732 ( -2.861 -6.465 0.531) 7.089 5.846 ( 4.080 3.001 -6.277) 8.065 6.046 ( -3.436 -1.950 4.224) 5.783 6.248 ( 2.589 -0.478 -1.469) 3.015 6.357 ( -1.095 7.019 2.926) 7.683 6.370 ( 3.081 -1.568 -6.112) 7.022 6.456 ( 7.673 -2.038 1.864) 8.155 6.589 ( -3.383 4.779 4.654) 7.480 6.666 ( 0.440 -12.225 -0.696) 12.253 6.862 ( 4.151 1.442 0.075) 4.395 7.039 ( -2.287 -5.914 -2.511) 6.820 7.086 ( 1.204 -3.228 4.974) 6.051 7.142 ( -7.281 -2.284 -5.100) 9.179 7.339 ( -6.820 -1.787 -0.445) 7.064 7.373 ( 5.621 9.059 2.136) 10.873 7.456 ( -2.397 4.400 3.640) 6.193 7.530 ( 7.197 1.179 4.421) 8.528 7.758 ( 0.239 2.483 2.482) 3.519 7.830 ( -0.698 1.700 -2.945) 3.471 7.941 ( -1.644 2.048 -4.999) 5.647 8.110 ( -5.627 5.094 -1.212) 7.687 8.236 ( 6.449 -0.962 -13.152) 14.680 8.293 ( -4.695 4.018 8.858) 10.801 8.443 ( -0.145 -7.408 7.198) 10.330 8.613 ( 4.714 -0.857 -4.512) 6.582 8.781 ( -5.588 -2.197 2.062) 6.349 8.919 ( 3.092 0.999 7.367) 8.052 9.081 ( -3.291 -5.132 1.511) 6.281 9.110 ( 3.410 2.447 -3.190) 5.272 9.275 ( 3.608 15.076 4.447) 16.127 9.371 ( 0.323 -4.586 6.797) 8.206 9.742 ( -0.078 6.516 -2.763) 7.078 9.900 ( -2.277 -6.246 8.220) 10.571 10.137 ( 8.633 -3.004 -5.745) 10.796 10.237 ( -4.698 3.852 -4.787) 7.734 10.369 ( -1.924 -4.626 -8.527) 9.890 10.497 ( -7.087 5.284 2.288) 9.131 10.618 ( -4.379 -2.511 -2.369) 5.576 10.814 ( -2.403 4.292 3.755) 6.188 10.928 ( 0.064 -10.111 0.063) 10.111 10.977 ( -3.133 -15.230 -2.363) 15.728 11.106 ( 3.339 -7.471 0.784) 8.221 11.324 ( -0.641 -2.799 1.987) 3.492 11.336 ( 7.590 0.532 -1.723) 7.801 11.501 ( -7.840 -1.760 -3.497) 8.763 11.830 ( 0.796 -4.806 -7.655) 9.073 11.871 ( 10.297 -0.705 -0.167) 10.322 12.015 ( 2.007 -3.547 1.838) 4.471 12.250 ( 7.282 -3.646 3.968) 9.060 12.419 ( 3.716 -11.395 -5.321) 13.114 12.594 ( -2.130 -4.542 -1.713) 5.301 12.861 ( -0.710 -2.576 2.892) 3.938 13.035 ( -1.612 3.457 2.038) 4.325 13.469 ( 4.155 -2.217 -7.649) 8.982 13.683 ( -3.483 -3.545 -0.217) 4.974 13.841 ( -5.456 -1.273 2.029) 5.959 13.945 ( -0.722 -0.443 -6.699) 6.752 14.187 ( 2.152 -3.550 -6.751) 7.925 14.635 ( 0.659 3.169 14.172) 14.537 15.008 ( 0.949 -7.132 7.129) 10.129 15.404 ( -1.231 5.719 6.816) 8.982 15.770 ( -1.329 2.351 -1.871) 3.285 15.839 ( -1.591 5.436 2.254) 6.097 16.096 ( -5.359 -3.100 4.826) 7.850 16.392 ( 0.379 12.760 -0.447) 12.773 16.814 ( -1.657 11.499 -4.052) 12.304 17.080 ( -2.074 -6.179 -4.529) 7.936 17.209 ( 4.351 -3.173 -1.321) 5.545 17.866 ( 4.729 0.330 1.870) 5.096 18.215 ( 0.349 -9.151 -1.833) 9.339 19.243 ( -1.153 0.837 2.991) 3.313 19.378 ( 2.561 -3.583 1.000) 4.517 20.487 ( 3.512 -0.215 0.237) 3.526 20.537 ( -0.749 -0.506 2.222) 2.399 20.720 ( -0.139 -2.803 -3.081) 4.168 20.901 ( -2.758 -7.484 -5.138) 9.487 21.884 ( 2.248 3.153 -3.998) 5.566 21.981 ( 1.916 -0.640 -4.087) 4.559 22.789 ( -3.097 3.123 7.447) 8.648 22.806 ( -1.910 2.444 7.542) 8.155 23.580 ( 0.477 7.301 -2.787) 7.830 23.826 ( 0.456 -0.296 -10.589) 10.603 25.957 ( -0.098 3.063 2.603) 4.021 26.081 ( -2.171 2.735 -1.177) 3.685 26.343 ( 1.192 -2.723 3.922) 4.921 26.581 ( 0.418 -6.786 1.358) 6.933 ======================= Grid point 82 (40/100) ======================= q-point: ( 0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 6.959 14.976 21.543) 27.145 2.666 ( 2.613 22.617 5.364) 23.391 3.126 ( -10.479 -3.110 -2.951) 11.322 3.507 ( -13.517 -8.627 0.488) 16.043 3.540 ( 2.942 1.227 -1.847) 3.684 3.834 ( -7.209 14.973 4.161) 17.131 3.962 ( 0.704 7.951 -6.351) 10.200 4.116 ( -11.599 3.130 -7.729) 14.286 4.342 ( -2.321 14.293 12.583) 19.183 4.415 ( -3.666 10.974 -6.011) 13.038 4.487 ( 1.586 4.992 0.927) 5.319 4.587 ( 5.663 -6.518 -0.630) 8.657 4.846 ( -1.856 -7.008 4.098) 8.328 4.895 ( 4.768 -1.494 -8.000) 9.432 4.975 ( 3.746 -2.421 -4.275) 6.178 5.045 ( -2.019 1.016 5.425) 5.877 5.210 ( 2.781 4.984 -6.255) 8.467 5.245 ( 1.318 -0.883 1.496) 2.181 5.339 ( 1.102 -5.361 -3.849) 6.691 5.615 ( 0.397 0.879 0.873) 1.301 5.665 ( -0.099 9.590 1.746) 9.748 5.727 ( 3.297 -0.968 -0.169) 3.440 5.795 ( 1.619 -1.532 -0.122) 2.232 5.875 ( 3.935 1.144 -2.294) 4.696 5.987 ( -7.133 2.496 4.039) 8.569 6.279 ( -0.620 2.508 1.450) 2.963 6.346 ( 0.873 5.655 3.687) 6.807 6.446 ( 3.877 -7.057 -2.592) 8.458 6.536 ( -0.824 1.529 1.067) 2.039 6.584 ( 3.718 -4.148 0.373) 5.583 6.669 ( 0.103 -1.643 -1.679) 2.352 6.842 ( -11.471 -1.120 -1.056) 11.574 6.950 ( 3.279 -9.485 3.474) 10.620 7.065 ( 3.109 -4.428 -1.924) 5.743 7.121 ( -3.137 -3.848 -3.659) 6.168 7.290 ( -0.367 -1.149 -1.847) 2.206 7.451 ( 1.935 10.888 3.119) 11.490 7.521 ( 5.578 0.036 4.548) 7.197 7.708 ( 0.897 0.454 -2.936) 3.103 7.745 ( 0.284 -0.827 -3.063) 3.185 7.828 ( 11.286 7.622 2.424) 13.833 7.887 ( -4.039 2.620 -5.281) 7.146 8.056 ( 0.167 -0.306 6.870) 6.879 8.176 ( -12.857 7.530 4.477) 15.558 8.260 ( 4.898 -0.716 -7.878) 9.304 8.506 ( 0.217 -5.984 5.482) 8.118 8.663 ( 1.219 4.259 -0.806) 4.503 8.734 ( 2.508 -6.655 6.495) 9.631 8.955 ( -6.760 2.406 -3.196) 7.855 9.008 ( 2.470 6.821 5.301) 8.985 9.262 ( 3.355 -4.940 0.339) 5.981 9.305 ( 4.595 12.321 -6.030) 14.467 9.475 ( 4.096 0.213 7.442) 8.498 9.726 ( -4.293 7.288 6.771) 10.834 9.875 ( -1.416 1.164 -0.408) 1.878 10.107 ( -11.988 0.846 -7.223) 14.022 10.166 ( 0.629 -0.413 -5.479) 5.530 10.278 ( -3.860 2.886 -0.575) 4.854 10.320 ( -6.362 1.286 1.447) 6.650 10.569 ( -4.266 -10.877 -0.507) 11.695 10.739 ( -7.083 -3.546 7.383) 10.828 10.827 ( -7.416 -7.915 -3.664) 11.449 10.947 ( 1.535 -14.078 -2.574) 14.393 11.105 ( -1.735 -1.522 -3.645) 4.314 11.268 ( -3.772 -7.352 -2.868) 8.747 11.356 ( -5.903 -4.969 -2.361) 8.069 11.545 ( 8.315 -2.032 4.987) 9.906 11.754 ( 1.933 -7.722 -3.344) 8.634 12.008 ( 6.899 -3.822 1.301) 7.993 12.164 ( 9.803 -6.286 -4.418) 12.455 12.314 ( -4.999 -0.269 -0.975) 5.100 12.529 ( 11.130 -7.493 -5.341) 14.441 12.602 ( 7.769 -0.471 1.716) 7.971 12.979 ( 8.462 0.629 3.377) 9.133 13.119 ( 7.850 -2.074 1.626) 8.281 13.471 ( 1.186 1.365 -0.915) 2.027 13.562 ( -6.223 -7.490 -7.577) 12.338 13.787 ( -1.996 -0.806 2.792) 3.525 13.918 ( 1.406 -1.789 -8.510) 8.809 14.186 ( 1.232 -4.465 -2.812) 5.418 14.712 ( -1.934 7.586 12.706) 14.924 15.071 ( -1.974 -2.243 10.981) 11.380 15.422 ( -1.528 4.258 5.861) 7.404 15.684 ( -4.038 4.244 -5.395) 7.964 15.791 ( -5.040 4.966 0.398) 7.087 16.017 ( -6.439 -3.103 5.132) 8.799 16.388 ( -0.442 10.010 -0.029) 10.020 16.765 ( -1.560 9.629 -2.162) 9.991 17.019 ( -0.821 -3.483 -3.889) 5.285 17.276 ( 4.477 -1.132 -2.261) 5.142 18.015 ( 7.514 -6.192 1.169) 9.806 18.232 ( 4.045 -11.700 -1.899) 12.525 19.272 ( 2.634 2.430 1.742) 3.985 19.492 ( 8.117 -5.728 3.031) 10.387 20.418 ( -10.841 -0.572 1.121) 10.914 20.493 ( -7.743 -1.614 -0.142) 7.911 20.664 ( 0.883 1.170 -3.737) 4.015 20.936 ( 8.046 -9.337 -3.738) 12.880 21.884 ( 1.163 4.041 -3.419) 5.419 22.025 ( 5.567 -1.035 -4.736) 7.382 22.781 ( -3.472 3.778 7.319) 8.939 22.827 ( -2.325 1.832 8.151) 8.672 23.574 ( 1.292 6.945 -2.966) 7.662 23.745 ( -0.855 2.321 -9.812) 10.118 25.970 ( -0.216 2.451 0.750) 2.572 26.039 ( -1.334 2.879 -0.171) 3.178 26.374 ( -1.274 -2.781 4.658) 5.573 26.584 ( -0.940 -6.751 0.731) 6.856 ======================= Grid point 83 (41/100) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( -0.926 12.861 7.900) 15.122 2.885 ( -3.158 -0.426 -1.342) 3.457 3.074 ( 5.463 -0.238 8.401) 10.023 3.225 ( -14.708 1.580 6.537) 16.173 3.579 ( 1.437 0.352 -3.462) 3.765 3.719 ( -7.606 17.063 0.649) 18.693 3.844 ( -9.387 3.008 -5.079) 11.089 3.948 ( 3.657 13.095 -10.222) 17.010 4.164 ( -6.084 5.449 -2.143) 8.444 4.397 ( -1.660 5.188 -2.374) 5.941 4.591 ( -1.147 7.814 11.368) 13.842 4.667 ( 4.462 -4.614 -0.023) 6.418 4.831 ( -2.832 -6.668 2.136) 7.553 4.879 ( -0.889 0.154 4.045) 4.145 5.006 ( -4.393 1.367 0.864) 4.681 5.089 ( 7.086 0.341 -2.074) 7.391 5.247 ( -0.430 -8.284 1.847) 8.498 5.337 ( 6.056 -1.066 -0.805) 6.202 5.419 ( 11.753 -1.717 -1.890) 12.027 5.670 ( 4.782 0.999 -0.376) 4.900 5.702 ( 0.837 6.309 4.261) 7.659 5.722 ( 0.513 -1.770 -7.810) 8.024 5.831 ( -3.847 3.790 -0.938) 5.481 5.881 ( 3.973 3.572 0.694) 5.387 5.983 ( 4.951 3.535 7.215) 9.438 6.204 ( -9.305 -1.919 6.081) 11.280 6.389 ( 0.796 6.291 -6.336) 8.964 6.456 ( -5.327 2.865 -0.314) 6.057 6.514 ( 2.219 -3.049 -1.841) 4.196 6.615 ( 0.862 -4.367 -0.289) 4.461 6.653 ( -5.107 0.449 -2.877) 5.878 6.712 ( 2.251 4.634 0.072) 5.152 6.999 ( -2.101 -4.126 5.254) 7.003 7.048 ( -2.463 -6.475 -3.973) 7.986 7.123 ( 2.751 -6.963 -1.298) 7.598 7.257 ( 1.312 2.587 -3.292) 4.387 7.514 ( 3.359 2.879 0.702) 4.479 7.609 ( -0.527 -0.299 1.512) 1.629 7.673 ( 0.636 0.412 0.905) 1.181 7.752 ( 1.876 -1.109 -0.026) 2.179 7.807 ( 0.962 -5.855 -5.324) 7.971 7.988 ( -7.506 6.698 -0.433) 10.070 8.012 ( 4.671 0.912 0.919) 4.847 8.173 ( 4.917 -0.743 9.256) 10.507 8.354 ( 7.779 0.751 -2.097) 8.092 8.551 ( 0.146 6.548 4.510) 7.952 8.619 ( -7.038 -4.378 2.440) 8.641 8.786 ( -9.658 1.689 0.706) 9.830 8.855 ( 7.140 0.388 -1.214) 7.253 9.134 ( 8.767 13.719 3.386) 16.629 9.237 ( 2.623 5.078 -4.317) 7.163 9.374 ( -2.080 -1.192 3.656) 4.372 9.550 ( 0.050 7.736 -2.109) 8.018 9.687 ( -6.088 5.532 9.352) 12.455 9.783 ( -7.163 3.368 -9.210) 12.144 9.861 ( -8.393 15.464 -0.967) 17.622 10.045 ( -6.370 0.695 0.026) 6.408 10.246 ( 7.084 1.510 2.779) 7.758 10.409 ( -9.350 -8.871 -3.137) 13.265 10.438 ( 5.385 -10.024 5.421) 12.604 10.619 ( -10.622 -5.206 2.650) 12.122 10.732 ( -1.371 -15.416 2.935) 15.752 10.937 ( -1.633 4.568 -6.708) 8.279 11.115 ( 3.815 -12.442 0.378) 13.020 11.184 ( -2.434 -7.197 -9.173) 11.911 11.241 ( -2.298 -14.048 -0.040) 14.234 11.619 ( -3.551 -8.329 9.560) 13.168 11.840 ( 7.429 -6.928 -5.365) 11.488 12.043 ( -5.871 -4.984 -4.043) 8.697 12.208 ( 5.460 -3.519 -7.752) 10.114 12.352 ( 8.936 2.627 0.061) 9.314 12.688 ( 10.576 -6.810 -9.427) 15.720 12.768 ( 10.046 0.072 -1.078) 10.104 13.125 ( -0.733 1.460 4.051) 4.368 13.169 ( 0.185 3.331 -1.859) 3.819 13.460 ( 0.586 -5.210 -0.188) 5.246 13.576 ( 7.246 -7.436 5.953) 11.968 13.775 ( 0.430 -1.830 -2.217) 2.906 13.856 ( -1.752 0.272 -6.576) 6.811 14.165 ( -2.954 -2.531 1.214) 4.075 14.762 ( -0.948 7.292 7.688) 10.639 15.074 ( -5.804 2.382 10.309) 12.068 15.432 ( -1.520 0.853 3.048) 3.511 15.591 ( -2.340 2.870 -3.388) 5.019 15.704 ( -3.151 7.417 -1.499) 8.196 15.967 ( -3.805 -2.569 7.357) 8.672 16.375 ( -0.959 8.719 0.123) 8.773 16.736 ( -1.165 3.078 1.833) 3.767 17.001 ( 1.345 1.558 -3.380) 3.957 17.318 ( 2.412 -0.438 -3.908) 4.614 18.093 ( 3.303 -5.103 -2.608) 6.614 18.318 ( 4.620 -19.051 -1.322) 19.648 19.361 ( 6.723 3.496 -0.189) 7.580 19.661 ( 6.438 -7.047 3.107) 10.038 20.197 ( -12.072 -1.631 -1.096) 12.231 20.307 ( -9.188 -2.897 -2.373) 9.922 20.711 ( 3.631 4.155 0.204) 5.522 21.044 ( 5.647 -9.590 -2.022) 11.311 21.883 ( 1.221 5.131 -3.183) 6.160 22.083 ( 4.934 -1.826 -5.942) 7.936 22.771 ( -3.369 4.541 6.959) 8.967 22.834 ( -3.244 1.246 7.840) 8.576 23.587 ( 2.212 6.233 -2.673) 7.134 23.684 ( 0.811 4.086 -5.763) 7.110 25.946 ( -1.200 3.839 -2.383) 4.675 26.051 ( 0.739 0.834 3.743) 3.906 26.364 ( -2.920 -1.476 3.409) 4.725 26.562 ( -1.330 -6.187 -0.765) 6.375 ======================= Grid point 84 (42/100) ======================= q-point: (-0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -10.653 13.098 0.225) 16.885 2.797 ( 3.261 2.792 -0.230) 4.299 3.010 ( -1.206 2.650 2.927) 4.129 3.207 ( -3.248 -1.345 3.477) 4.944 3.504 ( -6.994 11.197 -9.436) 16.227 3.617 ( 1.826 6.201 0.193) 6.467 3.833 ( 5.140 6.066 -2.489) 8.331 4.028 ( 9.414 10.183 1.247) 13.924 4.110 ( -2.166 12.220 5.484) 13.568 4.396 ( 2.136 4.210 0.913) 4.809 4.579 ( -1.776 0.120 -0.845) 1.970 4.766 ( -0.027 2.448 11.257) 11.520 4.792 ( -0.381 -2.929 -2.062) 3.602 4.920 ( -3.400 2.324 1.162) 4.279 4.942 ( 0.684 -3.348 9.966) 10.536 5.192 ( 5.625 -5.829 -1.244) 8.195 5.230 ( -0.455 -1.177 -1.525) 1.979 5.391 ( 0.822 -7.454 -1.978) 7.756 5.561 ( 2.164 -0.851 2.741) 3.594 5.635 ( -3.566 -1.888 -3.243) 5.176 5.717 ( -0.314 -0.534 3.278) 3.336 5.767 ( 0.972 -2.257 -2.937) 3.829 5.793 ( 5.404 3.461 -3.238) 7.188 5.944 ( -4.954 4.977 -2.914) 7.603 6.063 ( 0.733 -2.590 2.480) 3.660 6.089 ( -8.160 -1.849 2.810) 8.826 6.343 ( 5.211 12.812 1.806) 13.949 6.384 ( -4.813 6.962 -0.908) 8.512 6.532 ( 0.882 -3.932 -3.416) 5.283 6.567 ( -1.297 1.434 -0.127) 1.937 6.635 ( 1.262 -1.352 -1.255) 2.235 6.758 ( 2.089 -1.762 -1.607) 3.170 6.917 ( -4.219 1.496 -4.322) 6.222 7.053 ( 4.138 -2.994 2.800) 5.825 7.144 ( 0.136 -7.143 -1.700) 7.344 7.273 ( 0.505 2.217 0.123) 2.277 7.530 ( -5.071 -4.532 5.413) 8.693 7.601 ( 3.596 0.308 -1.437) 3.885 7.742 ( 4.249 -1.607 -4.308) 6.261 7.776 ( -3.160 -7.325 2.359) 8.319 7.789 ( 2.142 8.339 -1.928) 8.823 7.992 ( 8.054 -2.807 -1.501) 8.661 8.109 ( 5.617 0.224 6.517) 8.607 8.279 ( -2.817 7.964 -0.926) 8.498 8.318 ( -8.538 -0.544 9.232) 12.587 8.421 ( -11.563 1.934 0.532) 11.736 8.589 ( -1.513 0.411 -1.126) 1.931 8.716 ( 2.307 -3.530 0.878) 4.307 9.025 ( 13.495 -5.082 -6.394) 15.774 9.191 ( -10.632 1.685 2.575) 11.068 9.283 ( -2.233 -4.029 -2.049) 5.042 9.317 ( -7.548 21.197 -4.621) 22.970 9.404 ( 3.249 15.754 1.355) 16.142 9.663 ( -3.397 13.344 7.890) 15.869 9.707 ( 3.642 6.966 -0.406) 7.871 9.885 ( 7.150 9.910 4.347) 12.970 9.999 ( -1.442 -9.153 0.256) 9.269 10.256 ( -1.473 -3.855 -4.183) 5.876 10.401 ( 4.479 -7.894 0.794) 9.111 10.488 ( -5.863 6.367 6.495) 10.821 10.546 ( 2.785 -11.338 2.542) 11.948 10.779 ( 1.402 -8.181 5.768) 10.107 10.877 ( 4.565 4.216 -4.977) 7.961 11.081 ( 0.032 -9.892 -8.338) 12.937 11.193 ( 6.137 -16.659 -3.627) 18.120 11.251 ( -2.725 -15.841 6.167) 17.216 11.590 ( -4.817 -6.741 3.455) 8.977 11.857 ( -1.031 -13.687 -6.055) 15.002 11.938 ( -0.235 1.964 -6.745) 7.030 12.226 ( 1.553 -4.603 -7.968) 9.332 12.392 ( -2.776 4.430 -7.768) 9.363 12.710 ( 1.517 -9.624 -13.537) 16.679 12.968 ( 13.217 0.663 -1.812) 13.357 13.052 ( -6.187 6.749 7.503) 11.837 13.160 ( -4.737 6.211 3.517) 8.566 13.499 ( -4.877 -3.351 2.029) 6.256 13.641 ( 1.805 -6.361 -0.606) 6.639 13.770 ( 2.871 -9.803 -3.874) 10.925 13.925 ( 10.274 -0.205 5.014) 11.434 14.123 ( -3.023 -2.116 2.512) 4.464 14.738 ( -6.467 5.499 1.303) 8.588 15.040 ( -5.404 2.561 9.006) 10.811 15.391 ( -3.328 -0.457 -0.812) 3.456 15.575 ( 2.083 1.068 -0.574) 2.410 15.686 ( 1.736 9.449 0.045) 9.608 15.989 ( -0.886 -1.680 9.700) 9.884 16.366 ( -0.384 9.545 0.971) 9.602 16.760 ( 1.634 0.900 4.257) 4.648 17.007 ( 1.626 2.620 -2.951) 4.269 17.302 ( -0.111 -0.625 -6.338) 6.370 18.132 ( 2.956 -5.419 -1.578) 6.372 18.315 ( -2.994 -18.745 -4.690) 19.553 19.469 ( 3.301 1.830 0.140) 3.776 19.645 ( -8.347 -2.980 -2.040) 9.095 20.098 ( 0.682 -3.045 0.091) 3.122 20.212 ( 2.478 -5.540 -1.260) 6.199 20.766 ( 1.393 4.676 2.269) 5.381 21.092 ( 1.349 -8.974 -1.881) 9.267 21.879 ( 0.799 5.421 -3.241) 6.367 22.105 ( 2.446 -2.333 -6.690) 7.495 22.762 ( -2.980 4.855 6.509) 8.649 22.825 ( -3.555 1.065 7.197) 8.098 23.594 ( 0.853 6.430 -2.724) 7.035 23.715 ( 5.246 2.973 -1.795) 6.292 25.916 ( -0.565 4.761 -1.124) 4.924 26.095 ( 0.751 -0.227 4.126) 4.200 26.327 ( -2.911 -0.202 1.297) 3.193 26.536 ( -0.327 -5.591 -1.792) 5.880 ======================= Grid point 85 (43/100) ======================= q-point: (-0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( -11.664 21.676 -0.210) 24.616 2.849 ( -14.248 22.794 -5.325) 27.403 3.016 ( 13.495 4.556 7.142) 15.934 3.323 ( 10.991 -4.339 3.665) 12.372 3.451 ( 8.154 5.114 -9.841) 13.766 3.663 ( 2.480 7.622 4.590) 9.236 3.897 ( 5.161 3.378 -3.627) 7.156 4.027 ( -2.632 8.212 -1.975) 8.847 4.270 ( 1.771 15.797 10.617) 19.116 4.458 ( 3.630 -0.399 3.462) 5.032 4.535 ( -0.242 -0.651 -5.623) 5.666 4.765 ( -1.708 0.556 2.500) 3.078 4.831 ( -0.712 4.058 6.343) 7.564 4.889 ( -1.407 -0.642 1.114) 1.906 5.046 ( 2.473 -3.617 7.671) 8.834 5.201 ( 0.406 5.172 -2.753) 5.873 5.289 ( 3.311 -5.459 1.301) 6.516 5.369 ( -3.437 -8.728 3.997) 10.196 5.505 ( -5.979 -3.610 -0.126) 6.986 5.613 ( 1.237 -1.228 -6.392) 6.625 5.684 ( -3.024 4.329 -6.162) 8.115 5.715 ( -8.495 2.501 3.113) 9.387 5.776 ( 0.128 0.868 -0.594) 1.059 5.888 ( -1.440 -2.710 6.833) 7.491 5.994 ( 1.234 -1.243 -2.647) 3.174 6.131 ( 4.012 -4.593 -1.941) 6.400 6.294 ( -3.482 3.442 -2.696) 5.589 6.451 ( 0.346 8.078 3.823) 8.944 6.471 ( 0.735 1.951 -4.961) 5.381 6.569 ( 1.839 -5.537 -2.098) 6.201 6.657 ( -0.766 -3.125 -2.661) 4.175 6.752 ( -0.275 -1.348 -0.352) 1.420 6.899 ( 1.961 -1.024 1.223) 2.528 7.115 ( 0.114 -6.832 -1.367) 6.969 7.170 ( 5.929 1.438 0.523) 6.123 7.288 ( 1.095 2.141 2.894) 3.762 7.475 ( -5.511 -3.629 2.209) 6.958 7.621 ( -6.864 -3.564 0.035) 7.734 7.691 ( 2.401 -0.685 -1.896) 3.135 7.761 ( 2.345 6.987 -1.888) 7.608 7.891 ( 5.557 6.672 1.780) 8.864 7.983 ( -15.688 6.087 -3.470) 17.181 8.152 ( 0.505 -0.101 -3.100) 3.142 8.226 ( 3.064 -0.123 8.168) 8.725 8.308 ( -1.776 2.242 16.894) 17.134 8.403 ( 0.134 -3.981 -6.727) 7.818 8.515 ( 1.148 -1.136 3.267) 3.645 8.758 ( 0.523 -8.225 -2.699) 8.673 8.945 ( -13.941 -1.445 -2.566) 14.248 9.067 ( -5.514 13.217 -5.166) 15.224 9.208 ( 9.288 -8.295 -5.047) 13.437 9.277 ( -2.769 7.746 1.807) 8.422 9.434 ( -4.930 10.752 2.676) 12.127 9.712 ( 3.450 6.311 3.931) 8.197 9.841 ( -0.273 -0.998 2.321) 2.542 9.978 ( 12.653 6.373 -1.187) 14.217 10.045 ( 5.010 0.687 -4.181) 6.561 10.351 ( 6.342 -2.519 2.360) 7.221 10.448 ( 6.613 4.127 7.103) 10.545 10.483 ( -0.785 -1.869 4.404) 4.848 10.602 ( 2.985 -6.302 2.032) 7.263 10.862 ( 6.259 8.005 -3.918) 10.890 11.026 ( 9.808 -8.194 1.194) 12.836 11.082 ( 1.819 -9.983 0.781) 10.177 11.186 ( -7.713 -19.320 10.308) 23.216 11.300 ( 7.805 -9.637 -5.553) 13.588 11.518 ( -1.901 -4.166 -2.710) 5.321 11.737 ( -8.363 -3.670 -10.568) 13.967 11.887 ( 1.528 -6.201 -6.669) 9.234 12.164 ( -0.622 -4.164 -7.141) 8.289 12.266 ( -4.119 0.957 -6.366) 7.643 12.590 ( -3.812 -13.301 -11.913) 18.258 12.920 ( -14.003 7.697 1.891) 16.091 13.063 ( -3.776 9.820 2.454) 10.804 13.205 ( 4.069 -0.304 5.190) 6.602 13.329 ( -6.789 -4.297 -0.975) 8.093 13.712 ( 3.796 -0.621 -2.377) 4.522 13.821 ( 1.733 -9.848 3.436) 10.574 14.106 ( 0.869 -2.493 -1.174) 2.889 14.149 ( 9.234 -8.976 5.144) 13.867 14.565 ( -11.034 5.946 -1.872) 12.673 15.002 ( -5.634 -2.560 7.775) 9.937 15.348 ( -0.464 2.081 -0.010) 2.133 15.641 ( 4.405 0.540 1.932) 4.840 15.753 ( 4.766 10.217 0.921) 11.312 16.052 ( 0.200 -0.726 9.024) 9.056 16.371 ( -0.264 11.020 1.727) 11.158 16.841 ( 2.897 3.690 4.619) 6.583 17.023 ( 2.865 -0.735 -2.279) 3.734 17.237 ( -1.157 -0.905 -7.972) 8.106 18.122 ( -8.278 -9.324 -3.018) 12.828 18.205 ( 0.527 -9.945 -4.047) 10.750 19.400 ( -9.427 0.507 1.295) 9.529 19.501 ( -5.391 -2.317 -2.666) 6.445 20.187 ( 9.985 -2.912 -1.026) 10.451 20.325 ( 8.165 -4.721 -1.340) 9.526 20.788 ( -1.121 3.587 3.116) 4.882 21.070 ( -1.967 -8.337 -2.040) 8.805 21.868 ( 0.760 4.865 -3.324) 5.941 22.076 ( -0.276 -2.259 -6.590) 6.972 22.761 ( -2.203 4.487 6.546) 8.236 22.813 ( -3.348 1.343 6.865) 7.755 23.592 ( 0.705 7.058 -1.841) 7.328 23.805 ( 5.998 0.186 -3.149) 6.777 25.915 ( 0.242 5.000 1.616) 5.260 26.124 ( -0.355 0.094 2.785) 2.809 26.291 ( -1.171 0.218 -0.137) 1.199 26.532 ( 1.141 -5.628 -1.157) 5.858 ======================= Grid point 86 (44/100) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( -3.923 29.012 3.910) 29.536 2.632 ( -3.567 32.967 -2.753) 33.274 3.264 ( 5.224 4.978 10.371) 12.634 3.426 ( 3.134 -5.719 -4.891) 8.151 3.693 ( 17.450 3.565 0.085) 17.810 3.753 ( 3.305 11.588 7.483) 14.185 3.947 ( -2.399 10.339 3.368) 11.135 4.008 ( 4.412 2.370 -1.272) 5.168 4.216 ( -6.887 10.648 0.584) 12.695 4.507 ( 1.792 -3.748 -8.381) 9.355 4.568 ( 3.863 -3.456 3.894) 6.483 4.715 ( -7.519 -2.034 3.896) 8.709 4.851 ( 2.065 4.031 -7.189) 8.496 4.869 ( -1.529 -3.165 3.389) 4.883 5.082 ( -0.350 5.425 -1.305) 5.591 5.204 ( -4.644 6.940 -2.819) 8.813 5.268 ( -1.868 -3.913 1.481) 4.582 5.335 ( -4.407 2.047 3.251) 5.846 5.426 ( -1.555 -2.243 1.716) 3.224 5.549 ( -2.540 -3.549 -2.462) 5.010 5.631 ( 0.597 -3.404 -0.737) 3.534 5.682 ( 1.331 6.757 0.491) 6.904 5.781 ( -0.342 -10.638 1.719) 10.782 5.854 ( -3.276 3.074 -0.459) 4.516 6.051 ( 0.634 -5.954 2.859) 6.635 6.205 ( 4.127 -6.231 -0.205) 7.477 6.273 ( 6.703 7.920 -3.579) 10.976 6.363 ( -1.819 0.855 -4.727) 5.136 6.508 ( -6.441 1.265 -4.567) 7.997 6.573 ( 2.480 8.188 2.387) 8.882 6.652 ( 1.163 -10.943 2.993) 11.404 6.765 ( 4.739 -0.001 0.232) 4.744 6.946 ( 2.051 -2.973 1.608) 3.954 7.147 ( 2.663 -1.608 0.432) 3.140 7.230 ( -0.737 -4.469 -4.247) 6.209 7.344 ( 1.072 -4.845 6.606) 8.262 7.373 ( -3.985 9.933 0.554) 10.717 7.505 ( -5.460 -0.416 2.493) 6.017 7.621 ( -16.096 7.039 -2.301) 17.718 7.738 ( 2.059 -1.329 -2.231) 3.314 7.806 ( -0.380 2.574 4.540) 5.233 8.002 ( 2.948 10.898 -1.165) 11.349 8.156 ( -0.518 3.455 0.881) 3.603 8.235 ( 2.612 -9.485 -16.760) 19.434 8.317 ( -3.619 5.635 6.427) 9.282 8.398 ( 0.584 -7.284 8.924) 11.534 8.645 ( -4.289 -10.691 -3.322) 11.989 8.699 ( 4.679 -0.251 5.557) 7.269 8.812 ( 2.171 6.493 3.763) 7.812 9.078 ( 5.780 6.788 0.386) 8.924 9.174 ( -5.625 3.200 -4.353) 7.799 9.274 ( -2.207 0.613 -2.904) 3.698 9.355 ( -6.385 1.138 10.615) 12.440 9.765 ( 1.973 4.679 -4.994) 7.122 9.840 ( 0.765 -11.004 5.891) 12.505 10.050 ( 5.310 3.543 -5.969) 8.739 10.279 ( 6.821 8.062 0.235) 10.563 10.370 ( 4.543 -7.143 -3.995) 9.360 10.524 ( 2.731 0.890 3.540) 4.558 10.636 ( 1.309 -1.886 2.488) 3.386 10.731 ( 6.992 7.549 4.696) 11.310 10.910 ( 2.278 -0.307 -2.949) 3.739 11.024 ( -4.945 -15.160 2.926) 16.212 11.137 ( -0.560 -12.110 1.282) 12.190 11.224 ( 3.483 -5.724 -0.462) 6.716 11.338 ( 0.817 -3.385 -3.512) 4.946 11.571 ( 3.847 0.087 1.625) 4.177 11.596 ( 8.110 0.782 -4.670) 9.391 11.875 ( 1.897 -7.420 -7.007) 10.381 12.105 ( -4.531 -2.273 -4.613) 6.854 12.170 ( -0.399 -4.310 -2.053) 4.791 12.457 ( -2.614 -14.782 -7.415) 16.743 12.685 ( -9.359 0.833 -2.354) 9.687 12.961 ( -9.325 4.357 2.902) 10.694 13.114 ( -9.063 -0.653 4.754) 10.255 13.407 ( 8.331 -2.094 -5.398) 10.146 13.718 ( -2.216 0.696 2.596) 3.484 13.863 ( 1.107 -5.495 0.743) 5.655 14.079 ( -6.585 -2.633 -1.072) 7.172 14.208 ( 1.351 -4.362 -10.172) 11.150 14.503 ( 2.191 2.273 11.239) 11.674 14.971 ( -2.137 -7.904 5.110) 9.652 15.369 ( 0.329 5.014 4.638) 6.838 15.735 ( 3.264 0.046 3.839) 5.039 15.829 ( 2.661 9.192 -0.316) 9.575 16.108 ( -0.716 -1.611 6.767) 6.993 16.380 ( 0.365 12.947 0.907) 12.984 16.868 ( -1.448 8.222 -1.111) 8.422 17.095 ( 4.552 -6.617 0.099) 8.033 17.171 ( 0.319 -0.987 -6.136) 6.223 17.909 ( -8.504 -1.337 -3.979) 9.483 18.218 ( 0.767 -9.180 -0.772) 9.244 19.277 ( -5.006 0.688 1.668) 5.321 19.396 ( -4.367 -3.134 -0.340) 5.386 20.376 ( 10.126 -2.648 -0.865) 10.503 20.446 ( 7.215 -2.345 -1.269) 7.692 20.764 ( -3.149 1.459 0.795) 3.560 21.003 ( -4.063 -7.883 -2.385) 9.183 21.867 ( 2.067 3.799 -3.586) 5.618 22.016 ( -1.273 -1.460 -5.470) 5.802 22.776 ( -1.674 3.747 7.119) 8.218 22.804 ( -3.169 1.909 6.900) 7.829 23.589 ( 0.500 7.343 -2.062) 7.643 23.856 ( 3.617 -1.462 -7.450) 8.409 25.938 ( 0.113 4.182 3.085) 5.198 26.118 ( -1.665 1.524 0.632) 2.344 26.296 ( 1.401 -0.972 1.147) 2.055 26.556 ( 1.485 -6.253 0.502) 6.447 ======================= Grid point 87 (45/100) ======================= q-point: ( 0.00 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( 1.781 21.962 2.861) 22.219 3.093 ( -4.668 12.717 4.708) 14.341 3.188 ( -5.934 -11.136 2.706) 12.906 3.307 ( -5.699 -6.357 1.578) 8.683 3.796 ( -2.871 5.561 -6.433) 8.975 3.923 ( 5.009 -5.908 -2.748) 8.219 4.139 ( -2.450 10.579 7.232) 13.047 4.292 ( 4.852 5.353 -2.841) 7.763 4.359 ( 3.733 -6.989 2.936) 8.450 4.400 ( 8.249 -0.806 -3.544) 9.014 4.525 ( -5.040 0.550 1.629) 5.325 4.542 ( 2.058 -1.843 1.098) 2.973 4.827 ( -3.892 1.031 -1.928) 4.464 4.931 ( -4.430 -2.561 -5.742) 7.691 4.935 ( -1.884 6.076 7.871) 10.120 5.078 ( -10.795 2.742 -1.154) 11.198 5.267 ( -2.901 2.199 -2.846) 4.621 5.292 ( -2.995 -3.011 -3.297) 5.377 5.391 ( 0.186 -6.093 -1.586) 6.299 5.439 ( 6.157 -12.088 1.948) 13.705 5.622 ( 6.698 6.349 -2.649) 9.602 5.711 ( 6.444 1.529 1.455) 6.781 5.899 ( 2.897 5.535 -2.579) 6.759 5.968 ( 3.508 -0.610 3.031) 4.676 6.017 ( -3.782 9.259 -3.958) 10.756 6.225 ( -0.096 0.515 6.487) 6.508 6.293 ( 3.232 -5.253 -7.287) 9.547 6.397 ( 3.995 -10.718 -4.789) 12.400 6.487 ( 1.668 2.044 -0.860) 2.775 6.499 ( -1.016 2.772 1.541) 3.331 6.666 ( -4.388 5.799 2.144) 7.582 6.849 ( -2.674 -10.663 0.677) 11.014 6.930 ( 0.337 3.784 -2.353) 4.468 7.040 ( -1.195 -6.715 -5.500) 8.762 7.138 ( -2.895 6.888 3.725) 8.349 7.269 ( -3.994 -5.142 1.404) 6.661 7.510 ( 2.850 4.625 4.394) 6.987 7.572 ( 5.424 3.018 5.525) 8.310 7.613 ( 3.707 5.043 -7.184) 9.528 7.759 ( -1.507 -5.857 -4.714) 7.667 7.918 ( -1.054 12.165 4.724) 13.092 8.095 ( -9.054 2.496 1.633) 9.533 8.155 ( 5.743 5.667 4.268) 9.127 8.202 ( 0.417 -1.360 -1.913) 2.384 8.293 ( -1.195 -4.177 10.165) 11.054 8.411 ( -3.228 -3.679 7.096) 8.621 8.570 ( -3.416 5.344 -2.755) 6.915 8.721 ( -6.734 -7.276 -2.821) 10.308 8.925 ( 1.496 8.221 11.701) 14.379 9.115 ( 1.045 -6.683 1.103) 6.853 9.222 ( 8.446 14.297 -1.857) 16.709 9.369 ( 3.286 6.186 -1.491) 7.162 9.549 ( 3.941 1.636 9.603) 10.508 9.678 ( 0.502 -7.652 6.826) 10.267 9.964 ( 2.123 6.294 -2.341) 7.043 9.993 ( 2.034 -0.044 -5.820) 6.165 10.064 ( -1.980 -12.889 -1.146) 13.091 10.367 ( -3.552 0.318 -7.159) 7.998 10.437 ( -6.036 -11.546 -8.415) 15.510 10.555 ( -6.694 -6.722 -1.079) 9.548 10.648 ( -3.109 -3.288 2.791) 5.317 10.741 ( -8.155 -8.041 6.195) 13.021 10.964 ( 0.276 9.221 -1.983) 9.436 11.111 ( 6.831 -2.345 2.830) 7.757 11.284 ( 3.740 3.623 4.248) 6.720 11.365 ( 8.278 -0.549 -3.589) 9.040 11.490 ( -13.250 1.726 -4.749) 14.181 11.638 ( -9.815 -12.760 2.994) 16.374 11.882 ( 7.594 2.929 -6.610) 10.485 11.952 ( 6.895 -3.691 -7.108) 10.568 12.271 ( 11.125 2.218 -3.776) 11.956 12.290 ( 11.976 -1.731 -10.441) 15.982 12.571 ( -3.806 2.876 2.378) 5.330 12.703 ( -2.368 -9.374 5.126) 10.943 13.184 ( 0.646 8.579 -7.014) 11.100 13.349 ( 4.778 -8.426 -11.613) 15.122 13.715 ( -8.946 5.082 9.667) 14.118 13.811 ( -7.823 -3.631 7.970) 11.743 13.991 ( 2.981 5.178 -11.776) 13.206 14.102 ( 3.445 -5.404 -11.145) 12.856 14.728 ( 2.474 6.064 15.049) 16.412 14.860 ( 2.028 -7.547 12.924) 15.103 15.548 ( -3.185 8.515 10.236) 13.690 15.705 ( -3.169 -6.989 8.666) 11.576 15.960 ( -2.249 5.597 -2.262) 6.442 16.041 ( -3.470 -3.028 -0.007) 4.605 16.632 ( -1.632 12.097 -1.086) 12.255 16.849 ( -3.319 -9.213 -1.703) 9.940 17.052 ( 2.880 5.631 -4.287) 7.641 17.151 ( 4.385 -3.820 -3.232) 6.654 17.917 ( 1.810 4.854 -1.362) 5.356 18.045 ( 0.986 -8.142 -2.463) 8.564 19.272 ( 0.130 1.963 1.740) 2.626 19.317 ( 1.178 -2.725 1.061) 3.153 20.485 ( 3.851 0.498 1.299) 4.094 20.510 ( 2.779 -1.781 1.781) 3.751 20.719 ( -3.561 1.852 -2.441) 4.698 20.781 ( -4.060 -4.678 -3.108) 6.930 21.932 ( 2.255 1.933 -3.886) 4.891 21.962 ( 2.094 -1.245 -3.906) 4.603 22.833 ( -2.513 1.345 6.847) 7.416 22.839 ( -2.103 0.768 7.040) 7.387 23.706 ( 0.678 5.560 -4.329) 7.079 23.791 ( 0.730 -3.195 -6.714) 7.472 26.029 ( -0.160 4.014 0.361) 4.033 26.093 ( -0.556 -1.910 -1.495) 2.488 26.345 ( 0.082 3.362 3.181) 4.630 26.449 ( 0.059 -6.610 1.798) 6.850 ======================= Grid point 88 (46/100) ======================= q-point: ( 0.17 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( -5.213 9.922 8.095) 13.826 2.980 ( -8.523 4.920 0.520) 9.855 3.061 ( -2.648 2.717 2.035) 4.305 3.275 ( -2.183 -12.544 0.791) 12.757 3.683 ( -5.198 10.719 -0.715) 11.934 3.902 ( -7.343 -10.149 0.576) 12.540 4.131 ( -1.416 14.975 3.747) 15.502 4.246 ( -2.737 5.540 -5.052) 7.982 4.434 ( -2.479 0.127 -1.830) 3.084 4.446 ( 4.258 -4.035 -4.085) 7.148 4.537 ( 1.502 3.802 1.211) 4.264 4.628 ( 3.303 -6.526 1.043) 7.389 4.744 ( -7.099 1.083 -6.864) 9.934 4.808 ( 4.067 -5.387 -3.527) 7.615 4.947 ( -5.073 -0.148 6.252) 8.053 4.996 ( -2.361 -1.526 7.259) 7.784 5.190 ( -2.024 1.377 -1.901) 3.099 5.239 ( 2.100 -0.086 -1.576) 2.627 5.401 ( 3.823 5.407 -3.461) 7.472 5.553 ( 5.491 -8.568 -3.425) 10.738 5.773 ( 8.392 5.514 1.079) 10.099 5.822 ( 3.998 4.338 -0.297) 5.906 5.920 ( 1.755 6.304 -9.943) 11.903 5.925 ( 0.037 7.048 2.037) 7.337 6.019 ( -1.827 -1.287 3.255) 3.948 6.181 ( -6.166 -9.751 1.751) 11.669 6.339 ( 5.076 1.501 -4.429) 6.902 6.427 ( 3.042 -0.219 1.262) 3.301 6.518 ( 0.153 -1.818 2.055) 2.748 6.561 ( 2.460 -5.948 4.223) 7.699 6.645 ( 3.366 6.272 2.428) 7.522 6.796 ( -4.202 -6.019 0.108) 7.341 6.880 ( -1.546 2.823 -4.246) 5.328 6.959 ( -0.607 -5.124 -3.072) 6.005 7.122 ( -1.317 3.461 -1.155) 3.879 7.220 ( -1.061 -5.560 0.093) 5.661 7.560 ( 0.971 4.362 2.922) 5.340 7.647 ( 2.112 -2.468 0.089) 3.249 7.725 ( -2.825 9.281 2.756) 10.086 7.837 ( 1.186 4.084 7.925) 8.994 7.861 ( 2.976 2.945 -3.095) 5.207 7.933 ( -7.075 -1.689 -4.608) 8.611 8.109 ( -3.029 5.097 -0.432) 5.945 8.220 ( 1.682 -3.451 -9.287) 10.049 8.286 ( -9.871 1.287 2.661) 10.304 8.421 ( 1.938 -4.114 14.091) 14.807 8.611 ( 6.403 -0.110 6.133) 8.867 8.694 ( 0.783 -3.544 5.109) 6.267 8.983 ( -1.966 7.757 7.411) 10.907 9.129 ( 2.721 -1.186 -1.008) 3.135 9.371 ( 6.670 15.760 -0.658) 17.126 9.490 ( 9.554 4.496 -0.951) 10.602 9.646 ( -1.305 10.305 9.049) 13.776 9.781 ( 1.582 -11.058 8.148) 13.826 9.921 ( -3.611 9.457 -5.669) 11.602 9.952 ( -2.422 -3.602 -7.838) 8.959 10.013 ( 3.062 -12.158 -2.251) 12.738 10.249 ( -4.447 2.513 -2.237) 5.576 10.311 ( -0.922 -9.710 -5.630) 11.262 10.477 ( -4.578 -11.850 0.058) 12.703 10.578 ( -8.787 -0.955 3.555) 9.527 10.685 ( 0.747 -7.510 1.643) 7.723 10.905 ( -7.776 9.826 -0.015) 12.531 11.047 ( -14.200 1.937 -3.313) 14.710 11.130 ( -9.417 -3.984 0.193) 10.227 11.334 ( -6.163 -9.223 -0.487) 11.103 11.494 ( -2.300 0.023 4.396) 4.962 11.572 ( 7.170 -7.213 -0.939) 10.214 11.979 ( 8.226 1.860 -8.036) 11.649 12.051 ( 9.793 -4.748 -8.357) 13.722 12.335 ( 2.245 1.912 -4.573) 5.441 12.393 ( 9.120 -4.665 -6.971) 12.391 12.695 ( 12.145 7.978 0.983) 14.564 12.871 ( 13.639 -9.476 -0.823) 16.628 13.180 ( 4.082 6.829 -3.899) 8.860 13.336 ( 2.708 -9.000 -9.906) 13.655 13.620 ( -8.920 6.730 9.646) 14.761 13.739 ( -6.016 -4.843 6.385) 10.021 13.976 ( 3.977 6.133 -10.488) 12.784 14.095 ( 3.468 -5.548 -7.150) 9.692 14.857 ( -0.460 7.319 15.174) 16.853 14.987 ( 0.015 -5.905 15.085) 16.199 15.539 ( -4.936 7.169 7.638) 11.580 15.668 ( -6.072 -5.212 4.499) 9.180 15.890 ( -3.447 4.933 -1.897) 6.310 15.964 ( -4.590 -2.836 0.478) 5.417 16.577 ( -3.057 9.661 -1.177) 10.201 16.752 ( -5.253 -7.682 -2.111) 9.543 17.092 ( 4.193 7.927 -3.199) 9.522 17.223 ( 5.560 -4.920 -2.864) 7.958 17.961 ( 3.642 1.245 -1.181) 4.026 18.051 ( 1.717 -7.349 -2.877) 8.077 19.325 ( 4.484 3.074 1.501) 5.640 19.395 ( 6.241 -4.273 1.801) 7.776 20.418 ( -11.552 0.947 1.283) 11.661 20.453 ( -10.158 -2.300 0.477) 10.426 20.709 ( 4.825 3.260 -2.401) 6.299 20.793 ( 6.570 -5.652 -2.305) 8.968 21.950 ( 2.746 2.819 -3.701) 5.403 21.995 ( 4.281 -1.931 -4.159) 6.273 22.836 ( -2.710 1.785 6.965) 7.684 22.850 ( -2.517 0.339 7.341) 7.768 23.687 ( 0.930 4.678 -4.440) 6.516 23.749 ( 0.242 -1.660 -6.661) 6.869 26.027 ( -0.310 3.146 0.207) 3.168 26.069 ( -0.770 -0.510 -1.285) 1.582 26.364 ( -0.739 2.330 3.302) 4.108 26.454 ( -0.783 -6.303 1.455) 6.516 ======================= Grid point 89 (47/100) ======================= q-point: ( 0.33 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( -3.501 3.910 3.813) 6.487 2.854 ( -2.163 -2.275 2.354) 3.924 3.101 ( -5.549 4.504 2.830) 7.686 3.202 ( -6.162 -4.332 6.796) 10.146 3.638 ( -0.014 5.717 1.238) 5.849 3.770 ( -6.251 -7.153 2.754) 9.891 4.069 ( -4.392 18.547 -1.178) 19.096 4.214 ( 0.058 9.530 -5.512) 11.009 4.346 ( -0.649 7.237 -4.207) 8.396 4.456 ( 1.499 0.524 -7.009) 7.187 4.568 ( 1.566 -1.605 0.042) 2.243 4.624 ( -2.296 -11.432 3.999) 12.327 4.698 ( 1.945 2.693 1.523) 3.654 4.863 ( 2.697 -8.917 -2.952) 9.773 4.887 ( -6.288 -5.576 8.167) 11.719 4.961 ( -4.683 -6.252 7.533) 10.852 5.257 ( 7.473 7.439 0.738) 10.570 5.352 ( 7.511 -0.938 3.650) 8.403 5.423 ( 1.532 5.251 -3.993) 6.773 5.582 ( 1.120 -7.969 -5.632) 9.822 5.788 ( -1.001 6.404 -3.251) 7.251 5.841 ( 1.127 6.267 -6.239) 8.915 5.911 ( -6.475 -1.280 -1.030) 6.681 5.950 ( 3.156 -3.273 -6.218) 7.703 6.024 ( 4.662 6.206 1.903) 7.992 6.136 ( -0.684 -0.046 3.297) 3.368 6.389 ( 4.015 -4.688 -5.762) 8.443 6.424 ( -3.143 -5.410 -2.555) 6.758 6.556 ( -1.009 6.042 -1.914) 6.418 6.612 ( 3.919 3.091 5.614) 7.512 6.702 ( 0.109 2.287 -0.506) 2.345 6.792 ( 0.381 -11.558 2.725) 11.881 6.847 ( -1.359 7.099 4.111) 8.315 6.971 ( 2.360 -7.245 2.194) 7.929 7.100 ( 0.544 7.884 -1.605) 8.064 7.250 ( 3.794 -5.129 -1.252) 6.502 7.587 ( -3.161 4.445 5.706) 7.894 7.636 ( -3.101 1.782 3.987) 5.356 7.657 ( -4.614 1.116 0.232) 4.752 7.715 ( -4.067 -2.642 -6.481) 8.095 7.774 ( -2.701 1.692 0.494) 3.225 7.899 ( -3.405 -8.115 -4.498) 9.883 8.184 ( 4.118 6.761 0.836) 7.961 8.229 ( 7.327 5.982 3.031) 9.933 8.329 ( 11.080 -2.376 -6.160) 12.898 8.449 ( -7.923 -8.893 8.571) 14.673 8.679 ( -1.613 5.436 6.713) 8.787 8.792 ( 2.664 -6.022 2.599) 7.079 8.922 ( -7.829 13.657 1.374) 15.802 9.173 ( -0.570 -7.739 0.423) 7.771 9.455 ( 2.317 13.246 0.333) 13.451 9.621 ( 4.733 -2.428 -2.439) 5.852 9.655 ( -0.552 18.466 8.023) 20.141 9.808 ( -2.345 5.776 2.104) 6.580 9.834 ( 0.944 -0.473 2.548) 2.758 9.938 ( 2.067 5.697 -1.000) 6.142 10.099 ( 4.385 -11.506 -5.104) 13.329 10.208 ( -0.509 -3.634 1.157) 3.848 10.269 ( -0.526 -1.439 0.403) 1.584 10.345 ( -8.232 10.342 -0.423) 13.225 10.455 ( -6.662 -13.918 3.571) 15.838 10.691 ( -6.236 7.365 -4.880) 10.814 10.714 ( 0.067 -20.241 -1.571) 20.302 10.875 ( -5.435 -6.822 -1.700) 8.886 11.046 ( -3.155 1.433 7.812) 8.546 11.258 ( -6.013 -4.456 3.145) 8.118 11.440 ( -3.778 -1.463 4.689) 6.197 11.622 ( 0.433 -12.754 -6.399) 14.275 12.034 ( 4.816 2.565 -9.272) 10.758 12.106 ( 5.347 -4.505 -12.046) 13.929 12.438 ( 10.529 4.600 -4.155) 12.218 12.541 ( 9.865 -6.540 -7.291) 13.902 12.853 ( 9.572 7.963 -6.946) 14.258 13.035 ( 8.486 -9.436 -8.708) 15.391 13.256 ( 3.398 5.208 2.217) 6.601 13.360 ( 3.979 -5.394 1.493) 6.867 13.551 ( -5.864 4.531 8.368) 11.177 13.667 ( -4.961 -6.424 0.988) 8.177 13.987 ( 3.051 7.991 -4.763) 9.790 14.111 ( 1.143 -4.429 -2.153) 5.055 14.914 ( -3.647 7.940 10.982) 14.034 15.045 ( -4.790 -4.952 13.101) 14.802 15.491 ( -4.200 4.949 2.444) 6.936 15.583 ( -4.637 -3.522 0.631) 5.857 15.833 ( -1.822 5.617 0.613) 5.937 15.915 ( -2.598 -3.085 4.811) 6.278 16.529 ( -1.704 7.575 0.757) 7.801 16.670 ( -2.583 -6.718 0.481) 7.213 17.135 ( 2.776 8.993 -3.454) 10.025 17.278 ( 3.197 -4.826 -4.770) 7.501 18.010 ( 3.117 -1.920 -2.227) 4.285 18.062 ( 1.501 -7.507 -2.371) 8.015 19.439 ( 7.102 4.470 0.327) 8.398 19.536 ( 7.356 -5.747 1.337) 9.430 20.193 ( -12.250 1.295 -0.853) 12.347 20.241 ( -11.469 -3.428 -1.524) 12.066 20.796 ( 4.581 4.656 0.543) 6.554 20.897 ( 5.132 -6.064 0.019) 7.944 21.971 ( 2.449 3.950 -4.055) 6.168 22.037 ( 3.708 -2.930 -4.959) 6.850 22.834 ( -2.899 2.004 6.671) 7.545 22.851 ( -3.073 0.207 7.027) 7.673 23.683 ( 1.766 3.555 -3.562) 5.334 23.720 ( 1.275 -0.161 -4.673) 4.847 26.017 ( -0.554 3.309 -0.674) 3.422 26.060 ( 0.150 -0.734 0.514) 0.909 26.363 ( -1.597 2.063 2.379) 3.531 26.443 ( -1.140 -5.720 0.518) 5.855 ======================= Grid point 90 (48/100) ======================= q-point: (-0.50 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( 6.945 4.661 6.109) 10.357 2.922 ( -9.182 12.419 0.218) 15.447 2.961 ( 6.877 -5.259 7.244) 11.288 3.129 ( -5.915 -7.953 2.939) 10.338 3.643 ( -2.273 5.215 -1.758) 5.954 3.707 ( -3.332 -0.654 3.157) 4.636 4.058 ( 2.113 15.919 0.437) 16.064 4.172 ( 2.628 6.149 -5.646) 8.752 4.369 ( 1.728 8.355 0.765) 8.566 4.465 ( 4.107 -0.059 -4.182) 5.861 4.547 ( -1.473 1.895 -0.174) 2.406 4.653 ( 0.875 -7.655 1.835) 7.921 4.762 ( 1.689 -5.595 5.964) 8.350 4.856 ( -0.142 -12.587 4.467) 13.356 4.898 ( -1.577 3.129 11.251) 11.784 4.983 ( 1.262 -5.787 5.273) 7.930 5.367 ( -2.960 3.968 -1.772) 5.258 5.400 ( 8.867 12.003 -3.306) 15.285 5.464 ( -4.826 -5.896 5.151) 9.197 5.581 ( 7.036 -5.757 -3.153) 9.622 5.750 ( -5.472 4.239 0.736) 6.961 5.775 ( -1.809 1.206 -6.168) 6.540 5.844 ( 2.047 1.296 -6.595) 7.026 5.917 ( -0.236 -5.684 -5.833) 8.148 6.052 ( -2.171 3.831 -4.577) 6.352 6.126 ( -1.717 3.338 0.852) 3.849 6.322 ( -3.042 -6.366 -8.102) 10.743 6.391 ( 0.409 -9.573 -7.346) 12.073 6.525 ( 2.712 6.111 -6.991) 9.673 6.645 ( -0.800 1.460 0.405) 1.713 6.696 ( -4.967 1.778 2.428) 5.808 6.806 ( 2.024 -2.220 5.165) 5.975 6.874 ( -2.175 5.929 7.272) 9.632 7.029 ( -0.227 -6.875 4.265) 8.094 7.101 ( 0.765 8.120 -1.680) 8.327 7.259 ( -1.717 -5.750 -1.932) 6.305 7.549 ( -2.131 6.016 6.505) 9.113 7.620 ( -1.678 -0.135 -1.538) 2.280 7.651 ( 2.843 -2.221 0.472) 3.639 7.738 ( 9.005 6.587 -0.213) 11.159 7.761 ( -0.208 -7.225 4.402) 8.463 7.939 ( 9.909 -8.181 -4.363) 13.570 8.205 ( 0.004 4.901 1.346) 5.083 8.296 ( -8.075 -3.313 6.658) 10.978 8.378 ( -1.067 3.501 6.340) 7.320 8.458 ( 2.612 0.905 -6.097) 6.695 8.690 ( 0.024 8.533 -0.967) 8.588 8.706 ( -7.934 8.038 -2.268) 11.520 8.880 ( 5.095 -6.382 -3.347) 8.825 9.052 ( -14.750 -13.828 4.217) 20.653 9.443 ( -5.361 13.274 7.020) 15.944 9.626 ( -2.209 4.099 -2.109) 5.112 9.747 ( 2.131 18.264 -1.915) 18.488 9.758 ( -4.268 0.433 5.220) 6.757 9.866 ( -1.545 -2.122 -1.075) 2.836 9.977 ( -0.682 -2.643 -1.924) 3.339 10.069 ( 6.831 13.785 -0.668) 15.399 10.222 ( -0.068 9.873 -1.571) 9.998 10.304 ( 5.803 0.530 3.189) 6.643 10.342 ( 0.469 -8.192 5.033) 9.626 10.446 ( 2.869 -6.762 7.192) 10.280 10.664 ( 3.670 -10.045 2.882) 11.076 10.751 ( 5.904 -16.616 -0.124) 17.634 10.823 ( 0.291 -10.730 0.628) 10.753 11.044 ( -4.534 3.878 7.195) 9.347 11.161 ( -2.986 3.709 -2.224) 5.255 11.451 ( -0.855 -5.938 5.712) 8.284 11.558 ( 0.151 -13.269 -8.992) 16.029 12.018 ( 1.648 4.602 -11.557) 12.548 12.110 ( 3.610 -5.621 -10.588) 12.520 12.456 ( -1.738 2.827 -14.566) 14.940 12.541 ( -0.153 -6.604 -16.225) 17.518 13.031 ( 12.182 6.368 1.753) 13.857 13.132 ( 4.410 -1.408 4.097) 6.182 13.275 ( -4.180 5.405 2.549) 7.293 13.386 ( -4.896 -7.014 0.230) 8.557 13.557 ( 2.665 0.419 3.208) 4.191 13.624 ( 1.673 -5.524 -0.939) 5.848 14.007 ( 1.858 5.717 -0.669) 6.048 14.094 ( -1.423 -2.773 -0.821) 3.223 14.869 ( -8.262 7.617 5.032) 12.313 15.005 ( -8.618 -5.591 9.144) 13.753 15.442 ( -1.709 5.245 0.578) 5.546 15.544 ( -0.059 -4.174 1.135) 4.326 15.847 ( 1.667 6.754 3.312) 7.705 15.942 ( 0.280 -3.354 7.859) 8.550 16.537 ( 1.060 8.190 2.796) 8.719 16.682 ( 2.199 -6.670 3.591) 7.888 17.131 ( 0.263 7.998 -4.891) 9.379 17.262 ( -0.003 -4.529 -7.373) 8.653 18.039 ( 2.014 -3.290 -2.580) 4.640 18.058 ( -0.394 -6.729 -2.398) 7.155 19.524 ( 0.313 3.343 -0.332) 3.374 19.587 ( -3.725 -3.093 -0.854) 4.916 20.067 ( 0.295 0.205 -0.899) 0.968 20.111 ( 0.906 -4.216 -1.457) 4.552 20.857 ( 1.059 4.755 2.111) 5.309 20.955 ( 0.946 -5.711 0.956) 5.867 21.973 ( 1.205 4.379 -4.485) 6.383 22.048 ( 1.753 -3.437 -5.577) 6.782 22.828 ( -2.906 1.979 6.209) 7.135 22.842 ( -3.166 0.323 6.487) 7.226 23.693 ( 1.879 3.785 -2.735) 5.034 23.737 ( 3.292 -0.646 -2.570) 4.226 26.007 ( -0.040 4.440 -0.282) 4.449 26.076 ( 0.752 -2.320 1.084) 2.668 26.345 ( -1.755 2.662 1.290) 3.439 26.427 ( -0.701 -5.401 -0.177) 5.449 ======================= Grid point 91 (49/100) ======================= q-point: (-0.33 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( -4.540 17.509 3.060) 18.345 3.029 ( -0.379 -4.090 4.675) 6.223 3.130 ( 9.388 5.120 8.175) 13.460 3.213 ( 11.160 -4.931 4.899) 13.148 3.582 ( 2.439 8.255 -6.011) 10.498 3.702 ( 0.806 -3.069 2.443) 4.005 4.088 ( 1.735 13.248 -1.377) 13.432 4.185 ( 2.852 5.964 -7.256) 9.816 4.403 ( -1.138 -2.070 4.209) 4.827 4.447 ( -2.822 -5.068 -4.753) 7.499 4.545 ( 0.103 8.193 0.988) 8.253 4.675 ( -0.401 -7.210 1.300) 7.337 4.842 ( 2.938 -0.350 4.830) 5.664 4.933 ( -3.351 3.365 11.098) 12.071 4.977 ( 5.298 -6.421 11.862) 14.491 5.044 ( 1.347 -8.710 2.584) 9.184 5.304 ( -2.474 3.912 1.153) 4.770 5.380 ( -6.273 -4.508 3.930) 8.667 5.488 ( 3.130 12.940 -7.189) 15.130 5.601 ( -4.979 1.251 -6.564) 8.333 5.677 ( 1.969 -2.226 -5.111) 5.912 5.703 ( -6.018 -9.747 -2.166) 11.658 5.804 ( 2.093 5.113 -6.090) 8.222 5.901 ( 1.007 -5.722 -2.976) 6.528 5.994 ( 0.667 8.487 -0.871) 8.558 6.099 ( -1.252 -1.110 1.309) 2.124 6.261 ( 4.724 -3.521 -9.621) 11.282 6.354 ( 2.491 -11.478 -5.038) 12.780 6.504 ( -1.647 3.966 -6.481) 7.775 6.597 ( -3.652 -3.909 -2.764) 6.021 6.686 ( 2.093 12.136 6.720) 14.029 6.842 ( -5.907 2.887 5.169) 8.363 6.885 ( 3.052 0.118 1.448) 3.381 6.997 ( -2.464 -5.140 1.537) 5.904 7.154 ( 2.872 -0.773 2.032) 3.602 7.221 ( -0.915 -5.751 0.899) 5.892 7.566 ( -1.861 4.432 -1.956) 5.189 7.602 ( 1.656 2.266 2.431) 3.713 7.692 ( 3.197 3.580 -3.451) 5.912 7.823 ( 4.204 -2.589 1.624) 5.198 7.943 ( 8.444 1.532 1.315) 8.683 8.008 ( 0.810 -4.305 -1.764) 4.722 8.159 ( -15.467 6.024 -0.622) 16.610 8.260 ( -3.345 -2.095 7.937) 8.864 8.386 ( 12.819 -0.724 -0.175) 12.841 8.424 ( -2.307 1.794 1.869) 3.469 8.522 ( -12.116 7.623 10.142) 17.544 8.695 ( -2.178 4.443 -5.841) 7.655 8.832 ( -10.287 -6.598 7.179) 14.174 8.998 ( 9.220 -12.703 -5.972) 16.794 9.330 ( -6.697 15.277 -3.673) 17.080 9.523 ( -6.297 7.603 -1.322) 9.960 9.656 ( -8.769 -3.027 1.005) 9.331 9.730 ( -5.716 9.368 3.801) 11.614 9.870 ( 3.661 9.562 -0.721) 10.264 10.006 ( 3.556 -7.515 -3.467) 9.008 10.108 ( -3.025 -5.434 -0.977) 6.295 10.306 ( 11.791 16.023 2.697) 20.075 10.356 ( 1.534 -14.532 3.156) 14.949 10.527 ( 2.498 -0.027 2.789) 3.744 10.566 ( 11.308 5.519 7.706) 14.755 10.772 ( 6.690 -18.864 -0.267) 20.017 10.862 ( -0.977 -6.809 9.350) 11.608 10.913 ( 1.860 -8.651 8.306) 12.136 11.054 ( 6.227 8.929 3.620) 11.472 11.187 ( 9.107 -0.644 -2.910) 9.582 11.449 ( 0.122 -2.855 -3.054) 4.183 11.514 ( 0.170 -11.911 -4.960) 12.903 11.938 ( -0.938 6.336 -11.132) 12.843 12.067 ( -0.699 -6.202 -9.371) 11.259 12.284 ( -2.892 2.056 -15.381) 15.785 12.375 ( -3.823 -7.673 -16.940) 18.986 13.057 ( -15.293 6.170 2.401) 16.664 13.152 ( -11.556 -2.921 0.505) 11.930 13.236 ( -0.697 4.405 3.087) 5.424 13.280 ( 3.510 -0.707 -0.829) 3.675 13.687 ( 7.096 -1.479 2.807) 7.773 13.700 ( 5.678 -3.149 3.988) 7.620 14.055 ( 3.002 -0.668 0.396) 3.101 14.075 ( 2.163 -1.865 -5.025) 5.780 14.712 ( -10.720 8.717 2.065) 13.970 14.882 ( -10.090 -8.453 5.747) 14.362 15.456 ( 0.835 7.515 4.607) 8.855 15.590 ( 2.361 -5.520 4.629) 7.581 15.920 ( 3.280 6.769 3.338) 8.229 16.013 ( 1.171 -3.146 7.238) 7.978 16.591 ( 2.275 11.038 2.738) 11.597 16.778 ( 4.621 -7.842 4.453) 10.133 17.090 ( -0.360 5.650 -5.470) 7.872 17.192 ( -1.139 -4.159 -8.308) 9.361 18.004 ( -2.960 -1.629 -2.978) 4.504 18.053 ( 1.169 -5.857 -2.588) 6.509 19.426 ( -8.686 1.753 0.095) 8.861 19.461 ( -7.521 -1.893 -1.293) 7.863 20.169 ( 10.516 1.197 -1.431) 10.680 20.229 ( 10.298 -4.634 -1.623) 11.408 20.860 ( -2.490 3.904 2.671) 5.346 20.944 ( -2.811 -5.082 1.215) 5.933 21.953 ( 0.297 3.980 -4.547) 6.050 22.022 ( -0.085 -3.222 -5.556) 6.423 22.822 ( -2.521 1.813 6.148) 6.887 22.834 ( -2.793 0.470 6.275) 6.885 23.709 ( 1.811 5.000 -2.431) 5.847 23.782 ( 3.530 -2.504 -2.917) 5.220 26.013 ( 0.476 4.920 0.572) 4.976 26.095 ( 0.778 -3.256 0.366) 3.368 26.326 ( -1.104 3.675 1.063) 3.982 26.421 ( 0.124 -5.700 0.070) 5.701 ======================= Grid point 92 (50/100) ======================= q-point: (-0.17 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( 0.415 21.498 2.419) 21.637 3.047 ( 1.801 2.706 3.131) 4.513 3.274 ( -4.423 0.455 6.240) 7.662 3.341 ( 1.248 -0.954 5.887) 6.093 3.741 ( 15.555 1.901 -4.081) 16.194 3.794 ( 8.657 -3.067 -2.287) 9.465 4.100 ( -0.608 10.742 4.557) 11.685 4.198 ( 4.208 7.913 -5.670) 10.605 4.357 ( -1.173 -2.458 -3.088) 4.117 4.375 ( -3.273 -9.009 -0.955) 9.633 4.539 ( -1.028 3.976 0.323) 4.120 4.627 ( -5.566 -5.062 0.519) 7.542 4.902 ( -0.807 9.526 6.855) 11.764 4.905 ( -5.205 3.550 4.896) 7.979 5.022 ( -4.514 -6.962 2.283) 8.606 5.187 ( 7.001 -8.059 8.697) 13.769 5.315 ( -2.669 1.905 1.572) 3.637 5.331 ( -1.300 -4.331 0.163) 4.525 5.349 ( -4.368 0.838 -9.753) 10.719 5.503 ( -7.909 -6.918 -3.256) 11.001 5.566 ( 3.181 2.468 -4.531) 6.062 5.663 ( 0.037 -1.108 -5.480) 5.591 5.852 ( 5.045 5.491 -4.146) 8.532 5.903 ( 1.694 -2.259 0.119) 2.826 6.048 ( 1.688 9.387 2.498) 9.860 6.141 ( 3.533 1.343 4.085) 5.565 6.298 ( 4.146 -3.525 -9.810) 11.218 6.383 ( 2.516 -12.425 -5.086) 13.659 6.446 ( 1.662 5.859 -1.942) 6.393 6.540 ( -1.651 -2.257 -0.926) 2.946 6.732 ( -5.542 7.096 4.685) 10.150 6.833 ( 5.454 5.565 5.113) 9.320 6.892 ( -1.418 -3.174 -1.599) 3.826 7.035 ( 3.774 -9.678 0.692) 10.411 7.160 ( -2.397 2.866 2.423) 4.454 7.266 ( 2.461 -5.228 3.416) 6.713 7.500 ( -3.508 5.802 -1.234) 6.891 7.605 ( -5.571 3.264 0.508) 6.477 7.674 ( 0.277 2.105 -11.887) 12.075 7.843 ( -1.292 -4.824 -6.796) 8.434 7.903 ( -6.685 14.122 5.144) 16.450 8.017 ( 3.457 0.705 2.685) 4.433 8.104 ( 7.684 -4.619 2.667) 9.353 8.186 ( -7.601 -10.200 6.569) 14.316 8.361 ( -9.883 8.102 6.368) 14.279 8.495 ( -4.798 5.708 3.213) 8.119 8.551 ( 3.086 2.047 2.872) 4.687 8.729 ( 9.675 2.340 5.709) 11.475 8.806 ( 0.345 0.561 7.114) 7.144 9.059 ( 2.249 -12.818 -2.035) 13.172 9.223 ( -1.927 11.121 -6.903) 13.230 9.398 ( -3.609 3.066 -5.477) 7.241 9.516 ( -7.409 4.100 5.538) 10.118 9.676 ( -4.382 2.862 6.441) 8.299 9.917 ( 3.838 5.367 -2.778) 7.159 10.004 ( 1.450 -3.019 -7.241) 7.978 10.073 ( -0.723 -9.901 1.969) 10.121 10.401 ( 0.982 -16.663 2.052) 16.818 10.545 ( 1.246 5.346 -1.577) 5.711 10.590 ( 7.604 7.312 4.670) 11.537 10.688 ( -0.276 -6.915 0.413) 6.933 10.790 ( -6.588 -5.340 6.660) 10.783 10.928 ( 3.910 -4.497 3.771) 7.052 10.979 ( 4.208 -4.374 -2.006) 6.392 11.185 ( 4.580 5.539 -2.054) 7.475 11.300 ( 3.923 -2.608 -5.675) 7.375 11.537 ( 10.265 -0.795 6.685) 12.275 11.579 ( 6.813 -4.021 3.706) 8.736 11.870 ( 1.445 4.737 -9.045) 10.312 11.971 ( -3.497 -5.892 -5.299) 8.662 12.178 ( 2.567 0.619 -13.576) 13.831 12.234 ( 2.665 -6.890 -14.392) 16.178 12.753 ( -16.559 5.703 -0.316) 17.516 12.880 ( -16.449 -6.909 1.944) 17.946 13.225 ( -1.122 6.600 -1.853) 6.946 13.333 ( 4.493 -4.903 -7.219) 9.815 13.764 ( -3.263 3.863 9.807) 11.034 13.829 ( 2.634 -1.467 3.756) 4.816 14.047 ( -1.585 0.407 -4.565) 4.849 14.107 ( 4.855 -4.934 -9.769) 11.973 14.618 ( -1.878 8.133 8.439) 11.870 14.793 ( -3.801 -9.665 7.522) 12.823 15.511 ( -0.454 8.575 8.833) 12.319 15.666 ( 0.622 -6.618 7.984) 10.389 15.978 ( 1.091 6.056 0.629) 6.185 16.063 ( -0.343 -3.015 3.632) 4.733 16.636 ( 1.139 13.041 0.794) 13.115 16.865 ( 1.750 -9.600 1.792) 9.922 17.055 ( 0.732 4.164 -5.058) 6.592 17.134 ( 0.979 -3.169 -6.117) 6.958 17.933 ( -1.976 3.848 -2.765) 5.134 18.049 ( 0.519 -7.863 -2.243) 8.193 19.303 ( -4.857 1.818 0.719) 5.235 19.344 ( -4.569 -2.358 0.019) 5.142 20.353 ( 10.268 0.547 -1.080) 10.339 20.391 ( 8.917 -2.943 -1.266) 9.476 20.808 ( -4.928 2.946 1.251) 5.877 20.881 ( -4.963 -4.812 0.288) 6.919 21.931 ( 0.951 2.873 -4.217) 5.191 21.980 ( -0.251 -2.230 -4.784) 5.284 22.826 ( -2.121 1.434 6.552) 7.035 22.832 ( -2.487 0.747 6.449) 6.952 23.717 ( 1.211 5.712 -3.286) 6.700 23.807 ( 2.238 -3.616 -4.933) 6.513 26.025 ( 0.247 4.618 0.666) 4.672 26.104 ( 0.265 -3.053 -0.734) 3.151 26.325 ( -0.142 4.136 2.001) 4.596 26.432 ( 0.537 -6.330 1.127) 6.452 ======================= Grid point 117 (51/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -10.846 0.000 43.095) 44.439 1.902 ( -0.978 0.000 48.473) 48.483 3.057 ( 1.291 0.000 12.189) 12.257 3.205 ( 8.515 0.000 34.302) 35.343 3.219 ( 5.592 0.000 4.512) 7.185 3.573 ( -2.748 0.000 -20.703) 20.885 3.739 ( 1.264 0.000 3.690) 3.901 3.741 ( -5.700 0.000 5.040) 7.609 4.024 ( 9.009 0.000 -11.219) 14.389 4.049 ( 4.862 0.000 9.729) 10.877 4.343 ( 2.026 0.000 5.816) 6.159 4.346 ( -17.519 0.000 -1.280) 17.566 4.554 ( 9.546 0.000 -5.141) 10.843 4.873 ( -1.605 0.000 -3.683) 4.018 4.875 ( 2.184 0.000 1.009) 2.406 5.022 ( 0.223 0.000 1.714) 1.729 5.150 ( -15.962 0.000 -0.211) 15.963 5.335 ( 3.222 0.000 -14.413) 14.769 5.428 ( -3.786 0.000 -4.736) 6.064 5.469 ( -1.633 0.000 4.971) 5.232 5.682 ( 5.907 0.000 4.704) 7.551 5.690 ( 5.532 0.000 -5.336) 7.686 5.991 ( 2.437 0.000 -26.223) 26.336 6.005 ( 2.038 0.000 -8.284) 8.531 6.074 ( 0.457 0.000 0.301) 0.548 6.083 ( -9.929 0.000 6.686) 11.970 6.192 ( 0.464 0.000 6.416) 6.432 6.535 ( 1.607 0.000 -8.971) 9.114 6.546 ( 0.676 0.000 -1.132) 1.318 6.723 ( 5.063 0.000 -7.926) 9.405 6.828 ( 0.811 0.000 1.826) 1.998 6.910 ( -9.984 0.000 -5.941) 11.618 6.980 ( 4.910 0.000 -2.019) 5.309 7.061 ( -4.427 0.000 -4.227) 6.121 7.157 ( -5.744 0.000 2.757) 6.371 7.381 ( 5.719 0.000 -1.757) 5.983 7.431 ( 12.207 0.000 -12.586) 17.533 7.664 ( 4.331 0.000 -9.045) 10.028 7.694 ( 1.532 0.000 8.608) 8.743 7.904 ( 0.586 0.000 3.177) 3.231 7.952 ( -5.045 0.000 5.509) 7.470 8.015 ( -1.965 0.000 -1.043) 2.225 8.175 ( 6.072 0.000 0.060) 6.073 8.246 ( -4.282 0.000 -1.911) 4.689 8.558 ( -7.504 0.000 10.200) 12.663 8.639 ( 6.770 0.000 -4.345) 8.045 8.668 ( -3.925 0.000 7.835) 8.763 8.715 ( -9.715 0.000 11.364) 14.950 8.807 ( -0.399 0.000 1.241) 1.304 8.951 ( 0.139 0.000 -0.844) 0.855 9.273 ( -17.003 0.000 2.717) 17.219 9.334 ( 9.704 0.000 -0.611) 9.723 9.443 ( -5.175 0.000 -7.317) 8.962 9.560 ( 0.817 0.000 -3.629) 3.720 9.754 ( 2.526 0.000 2.914) 3.856 9.817 ( -1.807 0.000 -13.097) 13.221 9.953 ( -6.414 0.000 2.909) 7.043 10.226 ( 9.932 0.000 -11.416) 15.131 10.393 ( 13.608 0.000 -0.131) 13.608 10.508 ( -6.850 0.000 -4.167) 8.018 10.943 ( 7.620 0.000 8.494) 11.411 11.096 ( 3.408 0.000 -1.946) 3.924 11.104 ( -0.800 0.000 4.654) 4.722 11.140 ( 0.676 0.000 -2.637) 2.722 11.278 ( -0.307 0.000 9.579) 9.584 11.663 ( 2.486 0.000 -4.678) 5.297 11.978 ( -14.700 0.000 5.527) 15.705 12.060 ( 10.230 0.000 5.121) 11.440 12.141 ( 8.116 0.000 2.882) 8.612 12.282 ( -13.929 0.000 -1.354) 13.994 12.501 ( 0.796 0.000 9.692) 9.725 12.672 ( -1.001 0.000 7.143) 7.213 12.814 ( 1.672 0.000 -1.438) 2.205 12.996 ( 10.238 0.000 6.574) 12.167 13.152 ( -5.077 0.000 0.936) 5.162 13.212 ( 2.405 0.000 -4.522) 5.121 13.513 ( -18.698 0.000 -5.029) 19.362 13.991 ( 3.626 0.000 -20.295) 20.616 14.191 ( 11.287 0.000 16.654) 20.118 14.798 ( -1.874 0.000 -12.244) 12.387 15.023 ( -15.523 0.000 3.502) 15.913 15.074 ( 2.193 0.000 1.787) 2.829 15.282 ( -5.718 0.000 5.784) 8.134 15.402 ( -3.119 0.000 0.454) 3.152 15.551 ( 2.392 0.000 -0.922) 2.563 15.615 ( -1.957 0.000 -4.206) 4.639 15.923 ( 2.280 0.000 1.738) 2.867 16.113 ( -2.813 0.000 -4.850) 5.607 17.182 ( 7.841 0.000 2.135) 8.127 17.360 ( -5.275 0.000 -4.061) 6.657 18.482 ( -13.763 0.000 5.099) 14.677 18.624 ( 40.812 0.000 -1.742) 40.849 19.533 ( 11.685 0.000 4.722) 12.603 19.654 ( -14.192 0.000 -1.518) 14.273 20.391 ( -1.281 0.000 -0.223) 1.300 20.427 ( 1.555 0.000 -1.238) 1.987 20.677 ( -12.436 0.000 4.047) 13.077 20.967 ( 19.185 0.000 -11.814) 22.531 21.755 ( -3.099 0.000 3.713) 4.836 21.861 ( 1.379 0.000 -2.060) 2.479 22.817 ( -2.118 0.000 8.650) 8.906 23.045 ( 4.249 0.000 -4.251) 6.011 23.049 ( -7.863 0.000 4.797) 9.211 23.228 ( -2.731 0.000 -2.622) 3.786 25.920 ( -5.387 0.000 -0.295) 5.395 25.995 ( 3.297 0.000 -3.619) 4.896 26.837 ( 0.775 0.000 2.117) 2.255 26.891 ( 1.658 0.000 -0.484) 1.727 ======================= Grid point 118 (52/100) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 8.225 0.000 37.537) 38.428 2.135 ( -4.314 0.000 38.287) 38.529 3.096 ( -22.565 0.000 -4.339) 22.978 3.110 ( 13.845 0.000 -23.633) 27.390 3.380 ( 0.744 0.000 -19.669) 19.683 3.647 ( -9.599 0.000 1.459) 9.709 3.651 ( -10.056 0.000 -5.825) 11.621 3.942 ( 17.484 0.000 56.239) 58.894 4.067 ( 4.198 0.000 3.708) 5.601 4.160 ( -5.021 0.000 12.991) 13.927 4.199 ( 9.587 0.000 -0.584) 9.605 4.414 ( 3.882 0.000 5.443) 6.686 4.643 ( 4.134 0.000 -9.375) 10.246 4.836 ( 2.338 0.000 -4.886) 5.416 4.895 ( -1.259 0.000 -0.465) 1.342 4.994 ( -2.647 0.000 3.189) 4.144 5.012 ( -2.090 0.000 -0.471) 2.143 5.338 ( -5.677 0.000 0.732) 5.724 5.361 ( 7.205 0.000 -13.885) 15.643 5.530 ( 6.384 0.000 4.478) 7.798 5.694 ( -0.644 0.000 -14.520) 14.534 5.764 ( 7.846 0.000 -2.697) 8.297 5.876 ( -3.272 0.000 6.960) 7.691 5.983 ( 5.554 0.000 -17.407) 18.271 6.110 ( 11.619 0.000 -4.292) 12.386 6.126 ( 2.370 0.000 6.361) 6.789 6.221 ( -2.528 0.000 3.494) 4.313 6.444 ( -6.242 0.000 -6.598) 9.083 6.479 ( -2.817 0.000 -5.519) 6.197 6.626 ( -14.423 0.000 -3.939) 14.951 6.740 ( 2.893 0.000 -9.637) 10.062 6.811 ( -6.297 0.000 3.900) 7.407 7.021 ( 4.442 0.000 -3.596) 5.715 7.036 ( 4.252 0.000 -5.586) 7.020 7.128 ( -6.109 0.000 12.655) 14.053 7.344 ( -6.171 0.000 -7.438) 9.665 7.476 ( 3.396 0.000 -12.486) 12.940 7.619 ( -0.850 0.000 -9.318) 9.356 7.839 ( -2.710 0.000 -3.814) 4.679 7.844 ( 5.386 0.000 10.311) 11.632 7.933 ( 1.692 0.000 5.687) 5.934 8.024 ( -3.067 0.000 2.012) 3.669 8.229 ( 2.121 0.000 -1.104) 2.391 8.292 ( 4.579 0.000 1.005) 4.688 8.332 ( -16.159 0.000 -0.440) 16.165 8.624 ( -3.385 0.000 5.847) 6.756 8.724 ( -2.532 0.000 8.581) 8.947 8.758 ( 0.718 0.000 12.996) 13.016 8.906 ( -5.833 0.000 5.203) 7.816 8.907 ( 0.710 0.000 15.486) 15.503 9.030 ( -8.498 0.000 -0.883) 8.544 9.272 ( -2.272 0.000 -13.052) 13.248 9.473 ( -20.689 0.000 3.790) 21.033 9.502 ( 5.991 0.000 5.254) 7.968 9.573 ( -0.653 0.000 -2.634) 2.713 9.812 ( 3.010 0.000 -2.616) 3.988 9.960 ( 7.794 0.000 -8.298) 11.385 10.238 ( 2.227 0.000 -11.993) 12.198 10.411 ( -0.929 0.000 -0.710) 1.169 10.633 ( 12.355 0.000 -2.092) 12.531 11.021 ( -6.397 0.000 -1.328) 6.533 11.082 ( 1.522 0.000 2.156) 2.639 11.161 ( 1.169 0.000 -3.173) 3.381 11.216 ( 7.498 0.000 -0.419) 7.509 11.328 ( -0.705 0.000 5.235) 5.282 11.653 ( 0.876 0.000 -9.498) 9.539 11.760 ( -8.656 0.000 0.499) 8.670 12.063 ( -8.612 0.000 -0.755) 8.645 12.324 ( 7.363 0.000 1.284) 7.474 12.337 ( 8.633 0.000 20.047) 21.826 12.545 ( -1.713 0.000 -3.334) 3.748 12.669 ( -4.711 0.000 13.001) 13.828 12.789 ( -0.456 0.000 -4.066) 4.092 13.041 ( -6.019 0.000 2.493) 6.515 13.119 ( -8.495 0.000 1.073) 8.563 13.210 ( 8.113 0.000 -17.574) 19.356 13.340 ( -1.250 0.000 12.726) 12.787 13.983 ( 9.835 0.000 -10.969) 14.733 14.488 ( 9.032 0.000 13.033) 15.856 14.610 ( -6.323 0.000 -18.184) 19.252 14.921 ( -1.939 0.000 10.877) 11.049 15.199 ( 6.217 0.000 2.755) 6.800 15.238 ( -3.218 0.000 9.095) 9.648 15.374 ( -1.453 0.000 2.917) 3.259 15.581 ( 0.513 0.000 -4.555) 4.584 15.585 ( 2.025 0.000 -1.364) 2.441 15.977 ( 1.996 0.000 3.001) 3.604 16.066 ( 1.303 0.000 -3.182) 3.439 17.248 ( -2.652 0.000 -7.447) 7.906 17.334 ( 6.200 0.000 2.832) 6.816 18.287 ( -8.536 0.000 -1.001) 8.594 19.165 ( 22.079 0.000 -9.442) 24.013 19.407 ( -6.702 0.000 -8.832) 11.087 19.762 ( 8.816 0.000 4.320) 9.818 20.356 ( -2.487 0.000 0.357) 2.512 20.452 ( 2.379 0.000 -1.698) 2.922 20.464 ( -12.219 0.000 3.143) 12.617 21.217 ( 17.285 0.000 -15.466) 23.194 21.740 ( -1.501 0.000 4.357) 4.608 21.884 ( 2.439 0.000 -1.643) 2.940 22.755 ( -8.437 0.000 7.145) 11.056 23.071 ( 1.553 0.000 -5.255) 5.479 23.088 ( 2.962 0.000 11.520) 11.895 23.183 ( 0.316 0.000 -1.178) 1.220 25.835 ( -4.158 0.000 0.221) 4.163 26.050 ( 4.750 0.000 -1.607) 5.015 26.781 ( -11.724 0.000 2.416) 11.970 26.818 ( -3.963 0.000 0.107) 3.964 ======================= Grid point 119 (53/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 5.211 0.000 16.886) 17.671 2.485 ( 9.793 0.000 14.550) 17.539 2.731 ( -4.543 0.000 2.667) 5.268 3.085 ( -16.162 0.000 1.600) 16.241 3.207 ( -10.761 0.000 -4.076) 11.507 3.421 ( 3.655 0.000 -14.207) 14.669 3.430 ( -11.700 0.000 -1.170) 11.759 3.957 ( -10.369 0.000 -3.202) 10.853 4.164 ( -7.640 0.000 10.580) 13.050 4.243 ( -9.804 0.000 5.253) 11.123 4.438 ( 15.812 0.000 -3.438) 16.181 4.524 ( -4.199 0.000 -11.640) 12.374 4.816 ( -4.654 0.000 -3.564) 5.862 4.834 ( 11.775 0.000 7.611) 14.020 4.947 ( 0.639 0.000 8.783) 8.806 4.997 ( 3.947 0.000 -3.834) 5.503 5.092 ( 17.539 0.000 22.407) 28.455 5.302 ( 3.988 0.000 -0.630) 4.037 5.352 ( 8.015 0.000 -19.671) 21.241 5.624 ( -2.197 0.000 2.837) 3.588 5.749 ( 5.724 0.000 8.295) 10.079 5.840 ( 0.721 0.000 -6.650) 6.689 5.880 ( -1.128 0.000 11.260) 11.316 6.000 ( 9.777 0.000 -8.519) 12.968 6.094 ( -7.895 0.000 -3.589) 8.673 6.273 ( -1.811 0.000 9.032) 9.211 6.292 ( -3.810 0.000 4.075) 5.579 6.363 ( 17.656 0.000 -9.432) 20.018 6.380 ( 1.547 0.000 0.088) 1.549 6.454 ( -3.121 0.000 -5.129) 6.004 6.687 ( -7.449 0.000 2.091) 7.737 6.718 ( 1.719 0.000 -10.212) 10.356 7.022 ( -9.459 0.000 4.834) 10.623 7.023 ( -2.179 0.000 -8.984) 9.245 7.164 ( 9.613 0.000 -1.078) 9.674 7.168 ( -0.786 0.000 -8.538) 8.574 7.489 ( 5.199 0.000 -0.834) 5.266 7.557 ( -0.445 0.000 -5.633) 5.651 7.774 ( -2.248 0.000 -5.028) 5.508 7.903 ( -6.928 0.000 -5.745) 9.000 7.972 ( -16.680 0.000 1.545) 16.751 7.983 ( -1.966 0.000 4.349) 4.773 8.118 ( 7.982 0.000 12.954) 15.216 8.244 ( -3.238 0.000 4.932) 5.900 8.367 ( 0.490 0.000 3.495) 3.529 8.524 ( -8.432 0.000 3.894) 9.287 8.743 ( 2.200 0.000 5.461) 5.887 8.808 ( -3.762 0.000 0.024) 3.762 8.905 ( -4.736 0.000 12.516) 13.382 8.913 ( -4.989 0.000 10.210) 11.364 8.978 ( 1.555 0.000 0.639) 1.682 9.264 ( -5.708 0.000 8.741) 10.440 9.329 ( 9.280 0.000 0.783) 9.313 9.554 ( -0.690 0.000 -1.575) 1.720 9.593 ( -1.145 0.000 8.051) 8.132 9.793 ( 0.025 0.000 -9.476) 9.476 10.063 ( 11.114 0.000 -10.331) 15.175 10.211 ( 4.717 0.000 -11.912) 12.812 10.460 ( 6.380 0.000 -0.368) 6.391 10.751 ( 3.148 0.000 -6.154) 6.913 10.817 ( -11.036 0.000 -6.308) 12.712 11.045 ( -7.432 0.000 -0.533) 7.451 11.237 ( 6.122 0.000 2.777) 6.722 11.242 ( -3.852 0.000 2.326) 4.500 11.353 ( 2.925 0.000 -1.064) 3.113 11.578 ( 0.806 0.000 -10.302) 10.333 11.646 ( -3.143 0.000 -6.849) 7.536 11.880 ( -11.911 0.000 -7.281) 13.960 12.357 ( -10.127 0.000 -1.909) 10.306 12.397 ( 0.233 0.000 0.980) 1.007 12.551 ( 2.204 0.000 12.009) 12.210 12.725 ( -2.304 0.000 16.966) 17.122 12.880 ( 8.184 0.000 -0.107) 8.184 12.924 ( -11.262 0.000 -0.592) 11.277 13.002 ( -0.661 0.000 1.907) 2.019 13.147 ( 1.761 0.000 -15.126) 15.228 13.495 ( 4.985 0.000 9.153) 10.422 14.191 ( 14.816 0.000 1.518) 14.894 14.378 ( -2.049 0.000 -19.587) 19.694 14.666 ( 3.242 0.000 7.352) 8.036 15.056 ( 5.168 0.000 14.840) 15.714 15.197 ( -3.940 0.000 6.460) 7.567 15.368 ( 4.247 0.000 7.115) 8.287 15.391 ( 0.093 0.000 4.692) 4.693 15.558 ( 0.671 0.000 -4.664) 4.712 15.588 ( -0.296 0.000 -2.517) 2.535 16.038 ( 1.408 0.000 6.342) 6.497 16.114 ( 4.366 0.000 0.956) 4.470 17.160 ( -0.055 0.000 -11.116) 11.117 17.377 ( -2.170 0.000 -3.670) 4.264 18.241 ( 4.380 0.000 1.566) 4.651 19.086 ( -15.032 0.000 0.365) 15.037 19.520 ( 20.498 0.000 -21.826) 29.943 19.782 ( -7.704 0.000 -4.487) 8.915 20.332 ( -1.245 0.000 2.221) 2.546 20.414 ( 2.570 0.000 10.926) 11.224 20.474 ( 1.870 0.000 -3.544) 4.008 21.315 ( 7.482 0.000 -18.229) 19.705 21.765 ( 0.212 0.000 4.996) 5.001 21.913 ( 1.874 0.000 -1.562) 2.439 22.679 ( -5.946 0.000 7.986) 9.956 23.031 ( 0.034 0.000 -7.397) 7.397 23.221 ( 2.521 0.000 2.344) 3.442 23.242 ( 5.205 0.000 9.841) 11.133 25.786 ( -2.416 0.000 3.224) 4.028 26.121 ( 3.472 0.000 -0.654) 3.533 26.583 ( -13.095 0.000 5.492) 14.200 26.716 ( -4.931 0.000 -4.177) 6.462 ======================= Grid point 120 (54/100) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( -18.179 0.000 -9.691) 20.601 2.376 ( -13.564 0.000 2.580) 13.807 2.851 ( -10.021 0.000 30.415) 32.023 2.995 ( -6.805 0.000 2.051) 7.107 3.131 ( 19.289 0.000 15.360) 24.657 3.342 ( 3.385 0.000 1.494) 3.700 3.486 ( 2.025 0.000 -9.734) 9.943 3.659 ( -12.817 0.000 -0.590) 12.831 4.037 ( -10.888 0.000 3.543) 11.450 4.052 ( -8.290 0.000 -7.782) 11.371 4.322 ( -10.306 0.000 -4.260) 11.151 4.588 ( 4.546 0.000 -3.828) 5.943 4.733 ( -1.835 0.000 -2.178) 2.848 4.895 ( -7.893 0.000 7.293) 10.746 5.063 ( 16.195 0.000 -6.278) 17.370 5.138 ( 12.120 0.000 -0.404) 12.127 5.228 ( -7.199 0.000 -4.349) 8.411 5.374 ( 6.207 0.000 -15.769) 16.947 5.539 ( 6.347 0.000 1.204) 6.460 5.581 ( -6.217 0.000 7.068) 9.413 5.724 ( -6.903 0.000 8.623) 11.046 5.857 ( 1.987 0.000 10.363) 10.552 5.976 ( -3.403 0.000 -1.323) 3.651 6.084 ( -10.857 0.000 8.550) 13.819 6.102 ( 9.207 0.000 11.576) 14.791 6.171 ( 12.601 0.000 -2.639) 12.875 6.344 ( -4.441 0.000 -7.118) 8.390 6.348 ( -2.084 0.000 -4.248) 4.732 6.458 ( -0.801 0.000 3.608) 3.696 6.566 ( 9.344 0.000 -0.764) 9.375 6.640 ( -1.986 0.000 -11.324) 11.497 6.793 ( 17.670 0.000 -11.246) 20.945 6.893 ( -6.990 0.000 7.507) 10.257 6.986 ( 10.611 0.000 -0.250) 10.614 7.198 ( 6.610 0.000 -7.898) 10.299 7.327 ( 3.165 0.000 -1.064) 3.339 7.482 ( -3.712 0.000 -3.592) 5.166 7.488 ( -11.263 0.000 -12.409) 16.759 7.634 ( 7.506 0.000 4.722) 8.868 7.768 ( 4.405 0.000 2.313) 4.976 7.878 ( -6.297 0.000 0.026) 6.297 7.966 ( -3.731 0.000 -1.486) 4.016 8.220 ( -2.637 0.000 10.099) 10.437 8.306 ( 3.051 0.000 9.356) 9.841 8.337 ( -5.898 0.000 3.467) 6.842 8.486 ( -0.216 0.000 5.168) 5.172 8.772 ( 0.813 0.000 0.194) 0.836 8.810 ( -9.436 0.000 2.388) 9.734 8.863 ( 5.027 0.000 -3.451) 6.098 8.953 ( 1.733 0.000 7.795) 7.985 9.085 ( 9.056 0.000 15.458) 17.915 9.357 ( 2.565 0.000 14.771) 14.992 9.396 ( -2.212 0.000 -6.330) 6.706 9.539 ( 1.987 0.000 -2.900) 3.515 9.611 ( 0.798 0.000 4.023) 4.102 9.741 ( -2.431 0.000 2.552) 3.525 10.103 ( -8.954 0.000 -20.270) 22.160 10.208 ( 13.047 0.000 -8.358) 15.495 10.558 ( -3.944 0.000 -7.147) 8.163 10.590 ( 5.857 0.000 2.633) 6.422 10.802 ( -15.702 0.000 -9.596) 18.403 10.831 ( 4.933 0.000 -3.716) 6.176 11.169 ( -6.760 0.000 5.383) 8.642 11.291 ( -0.852 0.000 -0.538) 1.007 11.402 ( 2.010 0.000 -2.653) 3.329 11.522 ( -8.178 0.000 -2.095) 8.442 11.577 ( 3.244 0.000 -6.935) 7.656 11.683 ( 6.039 0.000 -9.427) 11.195 12.275 ( -2.576 0.000 6.960) 7.421 12.352 ( -5.804 0.000 0.912) 5.875 12.639 ( 3.032 0.000 2.821) 4.141 12.695 ( -11.698 0.000 12.284) 16.963 12.845 ( 0.698 0.000 2.701) 2.789 12.901 ( -4.442 0.000 0.815) 4.516 13.072 ( 5.369 0.000 -0.371) 5.381 13.091 ( 1.713 0.000 -9.444) 9.598 13.627 ( 4.672 0.000 5.807) 7.453 14.155 ( -0.467 0.000 -18.057) 18.063 14.589 ( 17.619 0.000 5.736) 18.529 14.691 ( -5.172 0.000 2.707) 5.838 15.174 ( -3.854 0.000 6.268) 7.358 15.250 ( 6.387 0.000 7.338) 9.728 15.433 ( 0.771 0.000 4.997) 5.056 15.441 ( -0.844 0.000 4.825) 4.899 15.546 ( -2.001 0.000 -2.707) 3.366 15.557 ( 1.916 0.000 0.149) 1.922 16.115 ( 0.578 0.000 10.438) 10.454 16.198 ( 2.287 0.000 4.219) 4.799 17.093 ( 1.925 0.000 -12.330) 12.480 17.239 ( -5.551 0.000 -11.329) 12.616 18.426 ( 9.703 0.000 9.926) 13.880 18.787 ( -17.269 0.000 -5.958) 18.268 19.542 ( -12.310 0.000 -6.377) 13.863 19.699 ( 15.603 0.000 -16.557) 22.750 20.339 ( 0.423 0.000 2.263) 2.302 20.462 ( 0.161 0.000 -4.769) 4.772 20.605 ( 6.253 0.000 13.735) 15.092 21.243 ( -0.016 0.000 -20.470) 20.470 21.798 ( -0.789 0.000 5.090) 5.151 21.921 ( 0.312 0.000 -1.810) 1.836 22.658 ( -3.070 0.000 8.224) 8.779 22.990 ( 1.492 0.000 -7.622) 7.767 23.280 ( 1.381 0.000 3.549) 3.808 23.381 ( 4.491 0.000 3.207) 5.519 25.817 ( 1.548 0.000 10.320) 10.436 26.132 ( -1.304 0.000 -2.885) 3.166 26.412 ( -11.054 0.000 6.755) 12.954 26.639 ( 1.070 0.000 -5.052) 5.164 ======================= Grid point 121 (55/100) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -32.780 0.000 10.585) 34.447 2.095 ( -27.435 0.000 23.683) 36.243 2.940 ( -17.261 0.000 43.585) 46.878 2.984 ( 6.914 0.000 -7.689) 10.340 3.268 ( -9.551 0.000 5.620) 11.082 3.442 ( 13.800 0.000 -3.349) 14.200 3.604 ( 10.176 0.000 22.175) 24.398 3.708 ( 11.187 0.000 -15.212) 18.883 3.856 ( -0.373 0.000 -19.971) 19.975 3.888 ( -8.040 0.000 4.039) 8.997 4.179 ( -5.527 0.000 5.860) 8.055 4.599 ( 2.064 0.000 -6.760) 7.068 4.737 ( 2.274 0.000 2.286) 3.224 4.756 ( -13.481 0.000 4.834) 14.322 5.019 ( -7.601 0.000 -5.232) 9.228 5.273 ( -8.345 0.000 -4.015) 9.260 5.313 ( 18.459 0.000 -12.104) 22.073 5.333 ( 7.912 0.000 3.456) 8.634 5.531 ( -2.583 0.000 -0.847) 2.718 5.567 ( -1.491 0.000 -0.312) 1.523 5.762 ( 3.385 0.000 -4.143) 5.349 5.847 ( -11.344 0.000 6.788) 13.220 5.862 ( -4.308 0.000 0.393) 4.326 5.990 ( -4.221 0.000 4.377) 6.081 6.205 ( -7.489 0.000 3.182) 8.137 6.274 ( -3.279 0.000 -5.121) 6.081 6.278 ( -0.088 0.000 8.078) 8.079 6.424 ( 12.840 0.000 5.065) 13.803 6.496 ( 1.064 0.000 4.999) 5.111 6.527 ( 5.941 0.000 -18.522) 19.452 6.634 ( 3.780 0.000 -3.981) 5.489 6.759 ( -3.410 0.000 -2.418) 4.181 7.053 ( 11.853 0.000 -5.249) 12.963 7.162 ( -0.725 0.000 -1.673) 1.823 7.175 ( -3.342 0.000 0.827) 3.443 7.241 ( 2.386 0.000 -4.461) 5.059 7.467 ( 2.678 0.000 -16.859) 17.070 7.553 ( 11.671 0.000 7.987) 14.142 7.778 ( 0.924 0.000 -3.216) 3.346 7.829 ( -4.148 0.000 -5.353) 6.772 7.839 ( 6.188 0.000 7.070) 9.395 7.969 ( 12.164 0.000 4.025) 12.812 8.224 ( -6.827 0.000 -0.560) 6.850 8.280 ( 0.656 0.000 10.423) 10.444 8.381 ( -1.486 0.000 9.568) 9.683 8.567 ( 6.288 0.000 -0.771) 6.335 8.591 ( -13.663 0.000 0.703) 13.682 8.767 ( -1.364 0.000 2.162) 2.556 8.944 ( 5.117 0.000 0.058) 5.118 9.087 ( 7.290 0.000 -0.537) 7.310 9.202 ( -11.286 0.000 -6.853) 13.204 9.387 ( 5.144 0.000 7.885) 9.415 9.476 ( 8.478 0.000 7.444) 11.282 9.652 ( 6.467 0.000 10.795) 12.584 9.662 ( 0.311 0.000 -6.385) 6.392 9.709 ( -5.740 0.000 -1.543) 5.943 9.820 ( 1.837 0.000 -3.128) 3.627 10.368 ( -20.010 0.000 -14.492) 24.707 10.431 ( 15.413 0.000 0.940) 15.442 10.433 ( -7.233 0.000 -6.907) 10.002 10.673 ( 1.421 0.000 -3.416) 3.699 10.916 ( 7.365 0.000 -2.012) 7.635 11.114 ( -4.678 0.000 10.366) 11.373 11.230 ( -4.154 0.000 -0.079) 4.155 11.345 ( -4.602 0.000 -3.293) 5.659 11.492 ( 4.705 0.000 3.073) 5.620 11.688 ( 10.254 0.000 -2.218) 10.491 11.782 ( 8.888 0.000 -7.390) 11.559 12.246 ( -6.324 0.000 4.716) 7.889 12.320 ( -0.179 0.000 10.983) 10.985 12.630 ( -3.888 0.000 8.563) 9.404 12.709 ( 3.922 0.000 -0.165) 3.925 12.779 ( -10.083 0.000 0.854) 10.119 12.857 ( -2.074 0.000 2.995) 3.643 13.080 ( 2.577 0.000 -3.719) 4.525 13.143 ( 3.630 0.000 -1.480) 3.920 13.755 ( 5.500 0.000 6.326) 8.382 14.071 ( 5.081 0.000 -17.914) 18.620 14.497 ( -16.067 0.000 -6.339) 17.272 14.845 ( 7.506 0.000 0.043) 7.506 15.144 ( -3.785 0.000 4.407) 5.809 15.330 ( 2.271 0.000 -4.977) 5.471 15.415 ( -4.703 0.000 3.271) 5.729 15.479 ( 0.380 0.000 3.299) 3.321 15.507 ( -0.376 0.000 -0.681) 0.778 15.654 ( 6.890 0.000 3.120) 7.564 16.165 ( -4.652 0.000 5.476) 7.185 16.237 ( -0.997 0.000 3.137) 3.292 17.088 ( -1.494 0.000 -10.639) 10.744 17.096 ( 7.030 0.000 -1.621) 7.215 18.383 ( -22.397 0.000 -8.411) 23.924 18.637 ( 2.120 0.000 15.284) 15.430 19.331 ( -5.208 0.000 -5.571) 7.627 19.838 ( 10.613 0.000 -11.175) 15.411 20.371 ( 1.275 0.000 1.889) 2.279 20.424 ( -0.691 0.000 -3.691) 3.755 20.768 ( 1.332 0.000 11.766) 11.841 21.040 ( -5.362 0.000 -21.815) 22.464 21.805 ( -2.370 0.000 4.857) 5.405 21.901 ( -0.913 0.000 -2.223) 2.403 22.683 ( -0.927 0.000 9.004) 9.052 22.980 ( 3.188 0.000 -6.990) 7.683 23.308 ( -0.713 0.000 2.444) 2.546 23.403 ( -1.609 0.000 -6.395) 6.594 25.990 ( 6.084 0.000 11.682) 13.172 26.057 ( -2.490 0.000 -6.005) 6.500 26.332 ( -2.034 0.000 13.702) 13.852 26.681 ( 5.436 0.000 -1.662) 5.685 ======================= Grid point 122 (56/100) ======================= q-point: (-0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -9.439 0.000 42.927) 43.952 1.826 ( -25.746 0.000 38.068) 45.956 2.896 ( -26.676 0.000 69.330) 74.285 3.080 ( 9.430 0.000 -6.469) 11.435 3.210 ( 1.451 0.000 -15.972) 16.038 3.611 ( 6.588 0.000 -3.116) 7.288 3.684 ( 3.052 0.000 -6.174) 6.887 3.801 ( -5.891 0.000 8.795) 10.586 3.879 ( 5.513 0.000 12.785) 13.923 3.912 ( 13.445 0.000 -15.355) 20.410 4.216 ( 6.498 0.000 2.215) 6.866 4.553 ( -8.890 0.000 1.433) 9.005 4.570 ( -2.296 0.000 -6.236) 6.645 4.815 ( 3.955 0.000 1.456) 4.214 4.922 ( -2.418 0.000 -1.410) 2.799 5.089 ( -9.639 0.000 0.292) 9.644 5.422 ( -1.264 0.000 -3.216) 3.456 5.434 ( -7.362 0.000 -7.249) 10.332 5.494 ( 1.586 0.000 -6.524) 6.714 5.524 ( 5.929 0.000 -11.406) 12.855 5.599 ( -6.026 0.000 2.913) 6.693 5.644 ( -8.064 0.000 2.307) 8.388 5.989 ( -0.088 0.000 4.690) 4.691 6.008 ( 12.595 0.000 -10.378) 16.319 6.122 ( -4.594 0.000 6.502) 7.961 6.152 ( -4.576 0.000 -7.226) 8.552 6.247 ( -7.918 0.000 6.820) 10.450 6.520 ( -0.937 0.000 2.827) 2.978 6.533 ( 6.211 0.000 -10.274) 12.005 6.660 ( 8.289 0.000 -7.469) 11.158 6.768 ( 2.513 0.000 4.125) 4.831 6.796 ( 15.043 0.000 6.572) 16.416 7.067 ( -4.083 0.000 -6.228) 7.448 7.147 ( -3.478 0.000 4.175) 5.434 7.254 ( 13.090 0.000 -5.958) 14.382 7.259 ( 3.147 0.000 0.980) 3.297 7.314 ( -1.009 0.000 -23.229) 23.251 7.668 ( -0.768 0.000 -3.949) 4.023 7.711 ( -5.889 0.000 -0.321) 5.898 7.808 ( 3.568 0.000 5.400) 6.472 7.960 ( 0.461 0.000 6.333) 6.350 8.132 ( -2.482 0.000 0.043) 2.482 8.133 ( -0.600 0.000 -3.043) 3.102 8.359 ( -8.049 0.000 -1.720) 8.230 8.446 ( 0.143 0.000 16.252) 16.253 8.451 ( 13.561 0.000 1.018) 13.599 8.711 ( 4.848 0.000 6.266) 7.922 8.792 ( 0.796 0.000 -0.833) 1.152 8.904 ( -11.965 0.000 -5.866) 13.325 8.980 ( -1.492 0.000 -1.520) 2.130 9.210 ( 5.218 0.000 -2.393) 5.741 9.420 ( -3.241 0.000 7.456) 8.130 9.531 ( -2.137 0.000 -4.325) 4.824 9.668 ( -0.068 0.000 -7.543) 7.543 9.710 ( 0.706 0.000 1.748) 1.885 9.789 ( 5.555 0.000 3.356) 6.490 9.984 ( -6.163 0.000 -6.174) 8.723 10.017 ( 17.593 0.000 -4.939) 18.273 10.291 ( -1.947 0.000 -2.848) 3.450 10.601 ( -2.435 0.000 -3.455) 4.227 10.776 ( 13.179 0.000 4.776) 14.017 11.023 ( 4.210 0.000 2.271) 4.783 11.111 ( -3.868 0.000 3.147) 4.986 11.182 ( -2.144 0.000 0.478) 2.196 11.259 ( -2.729 0.000 1.964) 3.362 11.616 ( 5.528 0.000 0.535) 5.554 11.850 ( 7.658 0.000 8.032) 11.098 11.889 ( 9.147 0.000 -4.878) 10.367 12.234 ( -3.759 0.000 6.249) 7.293 12.403 ( 0.557 0.000 10.564) 10.579 12.562 ( -15.060 0.000 1.530) 15.137 12.624 ( -2.054 0.000 4.353) 4.814 12.772 ( 3.232 0.000 -0.092) 3.233 12.856 ( 1.340 0.000 4.368) 4.569 13.140 ( 5.500 0.000 -0.068) 5.501 13.179 ( 1.178 0.000 -0.749) 1.396 13.923 ( 7.251 0.000 11.181) 13.327 14.033 ( -27.320 0.000 -14.148) 30.766 14.053 ( 6.267 0.000 -19.572) 20.551 14.866 ( 0.154 0.000 -6.940) 6.941 15.100 ( -3.928 0.000 1.763) 4.306 15.275 ( -6.145 0.000 -5.320) 8.128 15.346 ( -5.564 0.000 4.219) 6.983 15.471 ( -3.311 0.000 0.340) 3.328 15.520 ( 1.667 0.000 -0.393) 1.713 15.742 ( 0.654 0.000 -10.544) 10.565 15.943 ( -13.951 0.000 1.085) 13.994 16.200 ( -3.407 0.000 -2.144) 4.025 17.068 ( 4.671 0.000 -3.274) 5.704 17.364 ( 12.572 0.000 5.420) 13.691 18.079 ( 0.923 0.000 8.925) 8.972 18.652 ( -11.134 0.000 12.549) 16.776 19.335 ( 7.707 0.000 -0.528) 7.725 19.857 ( -3.675 0.000 -5.576) 6.678 20.397 ( 0.410 0.000 0.700) 0.812 20.410 ( 1.336 0.000 -1.508) 2.015 20.799 ( -5.883 0.000 8.133) 10.037 20.848 ( 2.663 0.000 -16.041) 16.261 21.786 ( -3.256 0.000 4.154) 5.278 21.869 ( -0.437 0.000 -2.406) 2.445 22.748 ( 0.559 0.000 10.044) 10.060 23.002 ( 4.265 0.000 -5.717) 7.133 23.242 ( -10.223 0.000 -6.172) 11.942 23.287 ( -2.458 0.000 -0.250) 2.470 25.994 ( 0.388 0.000 -5.654) 5.667 26.016 ( -4.961 0.000 0.719) 5.013 26.648 ( 18.850 0.000 13.407) 23.132 26.774 ( 4.625 0.000 1.105) 4.755 ======================= Grid point 123 (57/100) ======================= q-point: ( 0.00 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -2.860 13.567 38.994) 41.386 2.173 ( 7.320 16.972 45.355) 48.977 3.046 ( 4.355 1.249 -15.053) 15.720 3.339 ( -4.659 18.597 41.761) 45.952 3.421 ( -2.586 11.397 3.155) 12.105 3.598 ( -2.494 -1.013 -6.916) 7.422 3.722 ( 10.601 6.893 -4.860) 13.547 3.852 ( -8.869 5.575 6.219) 12.182 3.998 ( 6.733 -2.044 -11.043) 13.094 4.180 ( 2.437 9.894 4.449) 11.118 4.348 ( -8.455 3.013 -3.084) 9.491 4.426 ( 0.420 8.859 5.497) 10.434 4.602 ( 8.366 3.137 -1.767) 9.108 4.895 ( -1.873 -2.198 -2.913) 4.102 4.919 ( -1.285 4.067 -0.010) 4.266 4.924 ( -3.260 -2.407 5.658) 6.959 5.228 ( -12.438 3.674 -2.309) 13.173 5.369 ( 2.328 0.699 -13.680) 13.894 5.457 ( -1.735 0.189 4.685) 5.000 5.464 ( -1.596 3.673 -2.235) 4.586 5.626 ( 6.098 0.145 2.196) 6.483 5.781 ( 4.750 4.175 -2.950) 6.979 5.819 ( -0.098 -7.774 -7.977) 11.139 5.968 ( 1.667 -6.425 -2.112) 6.965 6.078 ( -6.608 -0.766 4.642) 8.111 6.128 ( 1.423 3.195 -12.746) 13.217 6.282 ( -1.710 2.799 5.148) 6.104 6.497 ( 1.245 -4.175 -7.691) 8.840 6.534 ( 1.851 0.584 -4.911) 5.280 6.652 ( 1.947 -2.920 1.097) 3.677 6.766 ( 1.606 -5.787 -4.701) 7.627 6.891 ( -7.760 -0.937 -7.848) 11.076 7.005 ( 3.816 1.788 1.397) 4.439 7.100 ( 2.278 2.277 -1.746) 3.664 7.153 ( 1.155 -1.834 0.671) 2.269 7.320 ( 0.181 -0.953 0.001) 0.970 7.412 ( 2.991 -2.347 -5.928) 7.042 7.575 ( 4.128 -5.838 -2.641) 7.623 7.675 ( -2.301 -7.129 -2.230) 7.816 7.843 ( -0.342 -3.895 -1.428) 4.163 7.942 ( -3.764 -5.519 1.376) 6.821 8.056 ( 2.399 -3.026 -1.860) 4.286 8.083 ( 3.747 -2.746 0.726) 4.702 8.159 ( -5.891 -2.347 -1.489) 6.514 8.464 ( -0.623 -10.620 16.089) 19.288 8.516 ( 4.516 -5.682 0.053) 7.258 8.609 ( -7.325 2.471 -2.224) 8.044 8.816 ( -3.488 4.979 6.022) 8.557 8.877 ( 0.552 1.025 4.364) 4.517 8.977 ( -0.323 2.749 2.883) 3.997 9.231 ( -13.402 -8.673 1.265) 16.013 9.386 ( 8.480 1.904 -1.330) 8.792 9.514 ( -6.770 4.873 -7.121) 10.968 9.567 ( -0.240 10.921 7.804) 13.425 9.782 ( -0.546 4.485 -6.740) 8.114 9.950 ( 10.740 7.955 -0.545) 13.377 10.010 ( -7.009 3.857 -4.291) 9.078 10.182 ( 8.578 -7.506 -11.891) 16.471 10.355 ( -0.807 3.902 -0.564) 4.024 10.533 ( -1.913 1.049 -3.606) 4.215 10.879 ( 5.721 -6.373 9.974) 13.146 11.027 ( 7.508 -2.434 1.667) 8.067 11.138 ( -5.850 1.256 -0.702) 6.024 11.207 ( -5.117 1.053 0.129) 5.225 11.279 ( 4.518 2.575 4.114) 6.631 11.611 ( 1.279 -5.939 -2.946) 6.752 11.872 ( 2.540 -5.139 4.594) 7.346 11.949 ( -0.084 -8.855 -2.572) 9.221 12.134 ( 3.054 -8.663 10.180) 13.712 12.369 ( -4.561 5.691 -1.394) 7.425 12.538 ( -2.951 0.586 11.058) 11.460 12.576 ( 5.646 -4.739 0.796) 7.414 12.705 ( -4.832 -5.907 1.618) 7.801 12.966 ( -2.432 -4.539 2.631) 5.783 13.127 ( 7.959 5.137 3.068) 9.958 13.320 ( -3.492 1.010 -4.311) 5.639 13.617 ( -6.223 6.419 -9.448) 13.008 13.882 ( 3.292 -9.562 -12.879) 16.375 14.265 ( 8.530 4.381 9.763) 13.685 14.579 ( -10.644 -19.854 -0.921) 22.546 14.882 ( -1.687 -11.982 3.057) 12.480 15.022 ( -4.251 3.793 0.067) 5.698 15.367 ( -0.504 0.426 2.034) 2.139 15.475 ( -3.475 11.783 -0.986) 12.324 15.543 ( 1.765 0.284 -0.409) 1.834 15.782 ( 0.900 12.003 -11.161) 16.415 16.103 ( -1.399 15.833 3.176) 16.209 16.207 ( -5.266 7.680 -1.028) 9.368 17.161 ( 5.986 -2.037 1.832) 6.583 17.334 ( -3.804 -2.674 -3.921) 6.083 18.339 ( 7.399 -13.081 8.769) 17.400 18.533 ( 12.988 -7.797 -1.575) 15.230 19.454 ( -3.477 -6.274 6.908) 9.959 19.574 ( 1.777 -5.097 1.049) 5.499 20.437 ( 1.399 2.072 -0.608) 2.573 20.463 ( -2.298 3.947 -1.179) 4.717 20.770 ( -11.587 4.917 -4.732) 13.447 20.915 ( 18.295 -4.330 -9.581) 21.101 21.753 ( -2.517 0.456 3.374) 4.234 21.880 ( 1.942 1.337 -3.316) 4.069 22.840 ( -3.006 2.235 8.793) 9.558 22.929 ( -1.371 -2.486 6.823) 7.390 23.249 ( -1.494 8.061 -4.540) 9.371 23.306 ( -0.967 9.343 -7.590) 12.076 25.930 ( -4.537 1.024 -0.121) 4.652 25.996 ( 2.259 0.243 -2.685) 3.518 26.749 ( 1.257 -9.054 4.935) 10.388 26.825 ( 0.872 -4.603 0.841) 4.760 ======================= Grid point 124 (58/100) ======================= q-point: ( 0.17 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 6.191 12.800 31.695) 34.739 2.468 ( -1.309 25.242 34.127) 42.468 3.037 ( 1.590 -1.957 -10.791) 11.082 3.186 ( -9.767 6.125 -22.032) 24.866 3.382 ( -6.658 1.303 -13.981) 15.540 3.574 ( -6.248 -4.769 4.655) 9.135 3.767 ( -7.835 7.205 -6.799) 12.630 3.975 ( 9.866 -4.283 10.629) 15.121 4.019 ( -0.760 5.014 21.264) 21.860 4.209 ( 2.347 3.653 16.556) 17.116 4.370 ( 6.305 14.619 3.521) 16.305 4.493 ( 6.710 7.396 11.566) 15.280 4.704 ( 3.321 4.808 -8.361) 10.201 4.822 ( -4.014 -0.946 -1.417) 4.361 4.874 ( 0.505 0.615 -3.075) 3.176 4.965 ( 3.854 -2.315 0.709) 4.552 5.098 ( -5.099 4.847 4.743) 8.484 5.356 ( 6.096 1.430 -11.191) 12.823 5.379 ( -5.654 3.101 -2.354) 6.865 5.536 ( 3.642 -1.580 5.302) 6.623 5.711 ( 7.683 4.966 -5.064) 10.456 5.802 ( 1.890 0.870 -3.968) 4.481 5.867 ( 7.632 -6.263 -4.890) 11.018 5.926 ( -7.548 1.472 4.262) 8.792 6.023 ( 3.814 -4.994 2.161) 6.645 6.197 ( 11.669 3.789 -7.549) 14.405 6.253 ( -5.106 -0.025 2.875) 5.859 6.386 ( -4.883 -2.838 -12.214) 13.457 6.545 ( -0.953 2.667 0.638) 2.903 6.637 ( -5.245 0.269 -3.397) 6.254 6.696 ( -1.847 1.170 -7.927) 8.223 6.716 ( -5.814 -5.900 0.731) 8.316 7.038 ( 0.529 1.101 -2.740) 3.000 7.116 ( 2.694 5.126 -5.633) 8.078 7.184 ( -1.054 2.059 9.308) 9.591 7.315 ( -1.939 -3.033 -3.410) 4.959 7.400 ( 0.597 -2.541 -10.881) 11.190 7.542 ( -1.060 -8.445 -7.361) 11.252 7.706 ( 2.821 -8.999 5.982) 11.168 7.789 ( -2.839 -5.839 -1.409) 6.644 7.932 ( 2.428 -0.351 2.359) 3.403 8.040 ( -4.379 -2.480 -0.390) 5.048 8.132 ( 0.051 -7.890 1.965) 8.131 8.176 ( 5.584 -3.989 0.003) 6.862 8.406 ( -6.224 1.091 1.198) 6.432 8.556 ( -1.634 -6.647 13.270) 14.932 8.723 ( 8.445 -0.908 0.758) 8.527 8.789 ( -2.613 3.865 5.918) 7.536 8.840 ( -5.448 2.157 3.981) 7.084 8.992 ( -13.148 0.088 8.516) 15.665 9.081 ( 3.656 3.246 6.955) 8.502 9.294 ( -8.488 6.517 -8.713) 13.800 9.499 ( 2.439 -0.305 1.616) 2.941 9.602 ( -0.943 7.550 7.545) 10.715 9.624 ( -14.412 7.831 -5.754) 17.382 9.868 ( 0.515 -0.269 0.821) 1.006 10.036 ( 2.515 11.687 -12.836) 17.541 10.165 ( 0.833 -7.247 -13.165) 15.051 10.471 ( 9.248 3.915 2.093) 10.258 10.538 ( 5.325 -9.024 1.890) 10.647 10.925 ( -13.004 -1.823 -0.086) 13.132 11.096 ( 5.609 -5.710 2.546) 8.399 11.127 ( 1.419 -2.923 2.018) 3.825 11.173 ( 4.349 -3.836 -4.614) 7.411 11.330 ( -3.057 1.405 2.636) 4.274 11.554 ( -3.669 -6.997 -5.172) 9.443 11.811 ( -1.655 1.862 -6.867) 7.305 12.063 ( -2.743 -3.826 3.043) 5.606 12.130 ( 6.636 -6.681 3.357) 9.997 12.464 ( -2.462 -11.274 6.951) 13.471 12.527 ( 0.306 -3.288 0.792) 3.395 12.631 ( -2.471 10.423 10.965) 15.329 12.720 ( 9.609 -2.508 -2.481) 10.236 12.936 ( -3.641 -4.659 3.456) 6.849 13.172 ( -7.297 1.154 -6.736) 9.998 13.322 ( 9.874 5.165 3.284) 11.617 13.500 ( -4.577 12.952 -4.397) 14.424 13.875 ( 7.877 -10.575 -8.782) 15.843 14.416 ( -5.714 -15.668 -4.772) 17.347 14.510 ( 8.887 -0.213 10.606) 13.839 14.872 ( -2.309 -11.605 3.502) 12.340 14.986 ( -0.623 -3.440 5.291) 6.342 15.372 ( -0.935 3.003 2.818) 4.223 15.401 ( -4.484 9.963 1.895) 11.089 15.571 ( 1.314 -0.752 0.220) 1.530 15.738 ( 2.312 12.367 -10.437) 16.347 16.106 ( -0.541 6.659 1.856) 6.934 16.211 ( 3.662 15.625 4.155) 16.578 17.190 ( -2.739 -5.064 -4.221) 7.139 17.330 ( 4.935 -1.165 0.332) 5.081 18.246 ( -6.617 -4.018 -1.426) 7.871 18.972 ( 26.517 -21.671 -10.369) 35.781 19.285 ( -12.517 -2.652 3.752) 13.334 19.781 ( 12.258 -2.427 1.761) 12.620 20.384 ( -3.812 2.207 -0.937) 4.504 20.446 ( -7.227 1.478 -1.181) 7.470 20.535 ( -5.007 3.514 -1.304) 6.255 21.153 ( 15.457 -6.034 -12.154) 20.568 21.736 ( -1.791 0.580 3.645) 4.102 21.911 ( 3.759 1.833 -3.250) 5.297 22.789 ( -7.579 3.271 7.961) 11.468 22.982 ( 0.234 -2.836 5.915) 6.564 23.229 ( 1.560 7.362 -1.546) 7.682 23.276 ( 2.214 8.926 -3.016) 9.678 25.852 ( -3.965 1.749 0.241) 4.340 26.048 ( 4.384 -0.228 -0.784) 4.459 26.708 ( -8.808 -6.268 4.666) 11.774 26.786 ( -3.938 -3.502 -1.218) 5.409 ======================= Grid point 125 (59/100) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 5.001 6.250 14.887) 16.902 2.613 ( -5.564 7.416 -5.857) 10.966 2.888 ( 0.354 17.647 16.398) 24.092 3.086 ( -12.924 2.154 1.605) 13.200 3.184 ( 8.404 -2.085 -16.098) 18.279 3.441 ( -12.060 2.299 0.509) 12.287 3.471 ( -10.348 3.362 -6.930) 12.900 3.873 ( -10.226 -6.937 -0.812) 12.384 4.202 ( -4.085 3.629 8.593) 10.183 4.295 ( -2.938 2.915 8.944) 9.855 4.483 ( 2.824 5.319 -8.293) 10.249 4.604 ( -0.205 7.126 -10.275) 12.506 4.801 ( 1.999 -0.563 -1.383) 2.495 4.860 ( 8.910 2.305 -0.616) 9.224 4.954 ( -2.069 0.006 14.912) 15.055 5.020 ( 2.812 2.632 0.477) 3.881 5.192 ( 16.858 9.382 21.408) 28.818 5.280 ( 0.452 1.584 -7.244) 7.429 5.428 ( 9.110 4.420 -7.451) 12.572 5.575 ( -2.331 -4.015 5.808) 7.435 5.779 ( 1.237 0.569 -4.790) 4.980 5.809 ( -4.210 -0.962 8.201) 9.269 5.926 ( 4.996 -4.905 -7.091) 9.965 5.974 ( 6.919 2.655 6.022) 9.550 6.093 ( -10.286 -0.186 -1.300) 10.369 6.182 ( 8.113 -2.037 4.413) 9.458 6.264 ( -0.326 -3.099 -1.733) 3.566 6.387 ( 4.790 -0.116 -1.459) 5.009 6.437 ( 1.966 4.660 -3.378) 6.082 6.539 ( -6.544 3.918 -1.585) 7.790 6.642 ( 1.042 -1.395 -1.722) 2.449 6.680 ( 0.976 -1.118 -5.474) 5.671 6.966 ( -3.479 -3.048 -7.594) 8.892 7.137 ( -2.572 6.340 -1.935) 7.111 7.187 ( 1.696 7.244 1.050) 7.513 7.232 ( -0.108 0.849 -5.569) 5.634 7.401 ( 7.209 -7.009 -3.479) 10.640 7.472 ( -2.291 -8.444 -4.771) 9.965 7.734 ( 2.705 -0.245 -5.070) 5.751 7.871 ( 6.626 -6.239 5.199) 10.481 7.921 ( -6.655 -3.884 3.376) 8.413 8.037 ( -3.178 0.473 3.677) 4.883 8.061 ( -8.396 3.544 -2.138) 9.361 8.168 ( -3.262 -9.615 7.286) 12.497 8.412 ( 2.412 4.424 3.283) 6.014 8.520 ( -6.441 -0.416 3.448) 7.318 8.713 ( -5.106 -4.264 2.233) 7.017 8.815 ( -2.413 -3.599 8.092) 9.179 8.905 ( 1.239 2.184 -1.147) 2.760 8.940 ( 1.474 6.872 12.352) 14.211 9.072 ( -1.959 6.739 1.518) 7.180 9.284 ( 4.636 -1.521 5.753) 7.544 9.372 ( -6.414 7.061 -0.816) 9.574 9.526 ( -0.264 0.174 -1.085) 1.130 9.666 ( 0.653 4.715 8.996) 10.178 9.927 ( -2.602 10.945 -12.540) 16.847 9.966 ( 7.128 -11.540 -1.001) 13.601 10.114 ( 4.733 -1.391 -9.880) 11.044 10.444 ( -6.990 -8.642 -2.824) 11.468 10.672 ( -4.724 -7.375 -2.030) 8.990 10.823 ( 8.954 4.551 0.006) 10.044 10.986 ( -9.508 -2.188 -9.543) 13.648 11.168 ( -0.675 -10.083 0.928) 10.148 11.220 ( -5.556 -6.479 1.998) 8.766 11.324 ( 7.524 2.774 1.327) 8.128 11.479 ( 1.780 -7.650 -7.774) 11.050 11.727 ( -2.332 7.115 -6.091) 9.652 11.983 ( -6.048 5.466 -8.874) 12.050 12.232 ( 0.078 -10.740 0.226) 10.743 12.362 ( -3.508 -3.069 -0.925) 4.752 12.538 ( -4.390 -10.302 10.870) 15.606 12.720 ( 1.841 4.891 9.968) 11.255 12.856 ( 2.859 0.357 -4.539) 5.376 12.910 ( -2.298 0.514 5.659) 6.129 13.028 ( -1.302 3.027 -3.959) 5.151 13.355 ( -2.076 13.722 -10.854) 17.619 13.522 ( 3.985 3.525 10.474) 11.747 14.075 ( 15.535 -10.784 3.708) 19.271 14.284 ( -1.931 -10.267 -12.765) 16.495 14.669 ( 2.103 -0.785 5.481) 5.922 14.906 ( 3.208 -13.165 5.284) 14.544 15.050 ( -0.225 -15.738 11.393) 19.430 15.352 ( -2.780 10.020 4.478) 11.322 15.386 ( -0.266 0.491 2.842) 2.896 15.575 ( -0.969 -0.669 -0.878) 1.469 15.706 ( 1.696 11.257 -8.667) 14.307 16.153 ( 2.766 5.951 5.690) 8.686 16.318 ( 3.214 17.876 6.657) 19.344 17.105 ( -1.238 -4.941 -8.365) 9.793 17.363 ( -1.465 -1.869 -3.649) 4.354 18.214 ( 4.571 -2.788 0.335) 5.364 19.014 ( -11.431 -10.613 -5.182) 16.436 19.348 ( 18.002 -8.634 -8.360) 21.645 19.854 ( -5.892 2.051 -7.556) 9.799 20.303 ( -1.158 -4.483 4.625) 6.545 20.344 ( -1.177 -1.752 1.205) 2.431 20.559 ( 2.647 5.205 2.316) 6.282 21.256 ( 7.272 -5.727 -15.394) 17.963 21.746 ( -0.633 -0.295 4.905) 4.955 21.951 ( 3.336 2.346 -4.050) 5.747 22.724 ( -5.948 4.306 8.319) 11.096 22.989 ( -1.221 -2.745 -0.168) 3.009 23.268 ( 2.431 5.729 1.153) 6.330 23.346 ( 5.591 7.432 1.953) 9.503 25.806 ( -2.215 2.090 3.212) 4.426 26.119 ( 3.502 -0.216 -0.148) 3.511 26.557 ( -11.433 -2.532 5.583) 12.973 26.688 ( -4.192 -2.835 -4.675) 6.889 ======================= Grid point 126 (60/100) ======================= q-point: (-0.50 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -17.258 0.946 2.830) 17.514 2.393 ( -18.504 6.424 -7.683) 21.040 2.797 ( -5.324 -0.430 16.884) 17.709 3.044 ( -4.572 2.080 -1.707) 5.305 3.274 ( 6.057 2.079 -5.111) 8.194 3.414 ( 17.005 13.019 13.338) 25.230 3.474 ( 4.809 2.328 -3.254) 6.256 3.694 ( -9.220 3.615 5.437) 11.297 4.098 ( -8.968 4.261 2.633) 10.272 4.187 ( -9.373 13.491 -5.718) 17.394 4.361 ( -7.771 3.449 -0.691) 8.530 4.614 ( 2.409 2.952 -4.651) 6.013 4.792 ( -2.001 2.611 -1.013) 3.442 4.917 ( -4.983 2.667 3.136) 6.464 5.009 ( 10.968 -1.705 -4.620) 12.023 5.114 ( 5.487 0.019 -2.539) 6.046 5.238 ( 1.959 3.141 -1.797) 4.115 5.481 ( 2.931 2.335 -6.181) 7.228 5.560 ( -5.341 -2.137 8.495) 10.259 5.571 ( 5.852 5.008 -3.251) 8.360 5.738 ( -6.489 1.012 7.287) 9.810 5.860 ( 3.657 0.611 11.424) 12.011 5.893 ( -7.393 -4.716 -2.767) 9.195 6.003 ( 4.662 -9.487 5.181) 11.772 6.092 ( -2.649 -0.693 4.760) 5.491 6.209 ( 1.329 4.966 7.461) 9.061 6.367 ( -2.747 0.156 -7.320) 7.820 6.377 ( 0.856 4.152 0.436) 4.262 6.446 ( 3.216 -8.155 -3.877) 9.586 6.509 ( 2.223 -1.242 -2.544) 3.600 6.617 ( 0.602 -0.275 -2.065) 2.169 6.815 ( 15.485 1.741 -4.712) 16.279 6.934 ( 6.540 -2.423 -1.197) 7.077 7.014 ( -5.954 7.739 -5.713) 11.313 7.193 ( 1.518 -1.745 -4.631) 5.177 7.345 ( -4.042 -4.720 -5.182) 8.091 7.369 ( 8.345 3.344 3.361) 9.598 7.577 ( 5.665 -2.360 -0.033) 6.137 7.667 ( -1.874 6.702 -3.856) 7.956 7.811 ( -12.084 -5.692 2.753) 13.638 7.844 ( 4.258 7.083 -5.600) 9.983 7.997 ( 2.485 3.635 -1.184) 4.560 8.089 ( -0.803 -8.684 10.571) 13.704 8.203 ( 0.541 -7.522 8.691) 11.506 8.395 ( -5.659 3.241 -0.352) 6.531 8.491 ( 1.166 1.312 4.117) 4.475 8.706 ( -3.805 -5.189 4.696) 7.966 8.806 ( 2.053 -2.105 -0.734) 3.031 8.898 ( -3.855 -1.445 5.919) 7.210 8.932 ( 0.191 4.860 -0.845) 4.937 9.238 ( 9.130 8.007 10.109) 15.800 9.342 ( -4.157 -3.160 1.001) 5.317 9.395 ( 4.277 4.961 11.334) 13.091 9.523 ( 3.378 1.331 -4.680) 5.924 9.720 ( -4.352 -0.811 8.039) 9.177 9.800 ( 1.155 4.484 -10.508) 11.484 9.944 ( -7.274 -6.981 -9.242) 13.677 10.257 ( 12.505 2.296 1.240) 12.775 10.351 ( 3.657 -11.131 -2.040) 11.892 10.537 ( -5.968 -7.252 -9.481) 13.346 10.729 ( -7.696 3.063 -8.557) 11.910 10.950 ( 5.078 -0.186 -9.528) 10.798 11.046 ( -9.315 -11.594 8.436) 17.099 11.298 ( 7.418 -5.922 0.675) 9.515 11.403 ( -0.168 7.342 -1.638) 7.525 11.470 ( -1.036 -3.447 -3.697) 5.160 11.672 ( 1.783 4.158 -3.163) 5.520 11.752 ( -7.509 5.639 -11.628) 14.946 12.223 ( -0.115 -5.484 3.803) 6.675 12.324 ( -2.255 -2.653 -2.928) 4.550 12.530 ( -5.016 -11.361 9.575) 15.681 12.738 ( -6.506 6.142 9.323) 12.922 12.846 ( -0.160 -3.241 0.483) 3.281 12.911 ( 1.662 4.065 -0.576) 4.430 13.061 ( 3.282 0.524 -1.372) 3.595 13.248 ( -2.143 11.402 -7.300) 13.707 13.652 ( 3.946 2.742 6.458) 8.049 14.123 ( -0.055 -4.221 -13.252) 13.908 14.472 ( 18.022 -11.149 7.037) 22.329 14.652 ( -6.779 -3.706 0.442) 7.738 14.994 ( -0.156 -19.643 6.505) 20.693 15.105 ( -0.867 -16.889 7.022) 18.311 15.365 ( 0.577 7.558 4.616) 8.874 15.405 ( -0.202 0.736 2.467) 2.582 15.535 ( -1.655 -0.836 -1.520) 2.398 15.687 ( 2.135 10.475 -5.057) 11.826 16.264 ( 2.937 6.722 9.979) 12.385 16.398 ( 0.387 18.158 7.012) 19.469 17.042 ( 1.245 -3.967 -8.640) 9.589 17.248 ( -4.405 -0.174 -10.326) 11.228 18.382 ( 9.356 -4.505 7.567) 12.849 18.727 ( -15.903 -6.796 -8.544) 19.290 19.539 ( -0.753 -1.584 -5.598) 5.867 19.632 ( 1.999 -4.274 -10.405) 11.425 20.310 ( -0.815 -3.236 2.601) 4.231 20.399 ( 2.820 -4.953 -0.560) 5.727 20.657 ( 4.046 4.119 8.629) 10.383 21.208 ( 1.273 -3.628 -18.493) 18.889 21.771 ( -1.038 -0.992 5.496) 5.680 21.963 ( 1.467 2.482 -4.776) 5.579 22.702 ( -3.310 4.295 8.660) 10.218 22.960 ( -0.793 -2.171 -2.135) 3.147 23.315 ( 1.163 4.254 2.620) 5.130 23.461 ( 6.203 6.212 -1.694) 8.940 25.836 ( 1.133 1.902 9.475) 9.730 26.140 ( -0.385 0.557 -2.782) 2.863 26.406 ( -9.959 -0.576 6.183) 11.736 26.618 ( 1.213 -2.093 -4.987) 5.542 ======================= Grid point 127 (61/100) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -30.346 8.241 8.645) 32.611 2.023 ( -29.517 -0.295 25.479) 38.994 2.911 ( 7.813 1.248 2.885) 8.422 3.111 ( 5.774 5.990 5.637) 10.050 3.412 ( 5.674 2.266 3.667) 7.126 3.448 ( -6.280 10.770 13.128) 18.105 3.690 ( 13.116 -1.242 -11.902) 17.755 3.799 ( 5.265 13.743 14.915) 20.953 3.968 ( -3.800 14.426 -3.435) 15.309 4.018 ( -0.069 10.424 -9.043) 13.800 4.225 ( -9.502 6.072 6.664) 13.098 4.602 ( 0.111 0.456 -3.938) 3.966 4.740 ( -6.745 1.220 4.900) 8.426 4.843 ( -0.854 7.475 -4.481) 8.757 5.041 ( -5.240 1.620 -3.190) 6.344 5.175 ( 7.849 -3.153 -6.134) 10.448 5.310 ( -3.221 0.333 4.977) 5.937 5.462 ( 6.584 4.436 -1.608) 8.100 5.504 ( -2.634 -2.587 1.132) 3.862 5.604 ( -0.933 3.667 -4.733) 6.060 5.708 ( -2.804 -4.020 -6.328) 8.005 5.813 ( 4.258 -3.079 0.918) 5.334 5.854 ( -13.213 0.527 11.605) 17.594 6.001 ( -5.062 -0.630 -0.709) 5.150 6.115 ( -0.477 -7.405 5.499) 9.236 6.233 ( -5.431 1.093 -0.745) 5.590 6.331 ( 4.007 -2.658 -0.257) 4.816 6.409 ( 2.570 1.842 6.184) 6.946 6.475 ( -0.010 -5.221 -1.646) 5.475 6.532 ( 11.211 0.930 -10.762) 15.568 6.649 ( 0.742 0.709 -3.588) 3.732 6.845 ( -3.415 8.756 -5.973) 11.136 7.012 ( 6.384 -2.493 -1.304) 6.976 7.092 ( 1.899 -5.688 4.420) 7.449 7.156 ( 5.291 -3.992 -4.174) 7.833 7.271 ( -6.163 4.816 -2.557) 8.229 7.389 ( 6.514 -2.785 -7.288) 10.163 7.604 ( -11.138 -2.773 5.108) 12.564 7.732 ( 8.796 -2.304 -1.129) 9.162 7.847 ( 2.286 0.866 -5.672) 6.176 7.888 ( 13.768 3.067 -0.016) 14.106 8.023 ( 3.330 7.145 0.525) 7.900 8.111 ( -4.770 -8.193 1.088) 9.542 8.276 ( -0.251 -3.755 4.862) 6.149 8.299 ( -3.431 -4.139 9.107) 10.576 8.547 ( -8.791 -3.689 -4.562) 10.569 8.614 ( 6.031 3.588 5.649) 9.009 8.779 ( -5.706 1.025 4.073) 7.085 8.975 ( 0.175 -1.551 0.966) 1.835 9.004 ( 9.267 -3.735 3.416) 10.559 9.198 ( -5.818 2.148 -4.522) 7.675 9.408 ( 2.411 -1.270 6.514) 7.061 9.445 ( -3.142 -4.632 -13.586) 14.694 9.570 ( -3.460 -4.981 0.054) 6.065 9.664 ( 5.156 2.134 14.664) 15.690 9.807 ( -0.005 3.592 -0.069) 3.592 9.904 ( 9.802 11.910 -2.151) 15.574 10.353 ( -6.929 2.169 -10.582) 12.833 10.452 ( 8.930 -1.066 -10.519) 13.839 10.485 ( 5.298 0.173 4.408) 6.894 10.626 ( 3.100 -1.312 1.581) 3.719 10.869 ( -3.695 -3.923 -6.217) 8.227 11.038 ( 0.884 -5.818 6.229) 8.570 11.296 ( -3.707 1.845 -0.932) 4.244 11.362 ( -4.066 6.857 -1.786) 8.170 11.502 ( 5.481 -4.734 -1.495) 7.395 11.621 ( 0.900 -1.346 -0.659) 1.748 11.760 ( 6.538 -4.788 -1.170) 8.188 12.198 ( -4.159 -4.282 -1.429) 6.138 12.329 ( 3.174 -1.922 4.949) 6.185 12.484 ( -6.405 -11.486 6.749) 14.782 12.716 ( -2.388 5.022 7.513) 9.347 12.825 ( -7.935 5.079 7.731) 12.187 12.926 ( 3.012 -7.842 -3.439) 9.077 13.077 ( -0.077 8.180 -3.889) 9.058 13.221 ( 4.077 5.831 -2.929) 7.695 13.748 ( 2.938 -0.869 4.248) 5.238 14.087 ( 6.035 0.697 -12.041) 13.487 14.415 ( -16.902 -6.594 -7.633) 19.683 14.770 ( 9.637 -11.035 2.180) 14.812 14.954 ( -7.090 -21.612 3.237) 22.974 15.126 ( -1.915 -14.076 4.996) 15.059 15.381 ( -2.010 -0.228 0.056) 2.024 15.431 ( 2.870 6.153 2.021) 7.084 15.526 ( 0.963 1.132 -0.419) 1.545 15.725 ( 4.844 7.680 -1.912) 9.279 16.345 ( -2.490 8.395 6.451) 10.876 16.421 ( -2.125 16.153 2.399) 16.468 17.069 ( 5.841 -0.725 -0.042) 5.886 17.122 ( 0.548 0.901 -9.134) 9.195 18.332 ( -21.171 -5.214 -9.009) 23.591 18.574 ( 2.878 -6.464 11.773) 13.735 19.344 ( -6.273 1.129 -5.051) 8.132 19.740 ( 5.300 -8.087 -3.278) 10.210 20.340 ( 3.522 -3.298 0.807) 4.892 20.410 ( 0.674 -1.227 -2.288) 2.683 20.762 ( 0.136 0.238 6.543) 6.548 21.073 ( -0.872 1.394 -18.096) 18.170 21.780 ( -2.148 -1.002 5.185) 5.702 21.937 ( -0.310 2.207 -4.997) 5.472 22.726 ( -1.203 4.019 9.278) 10.182 22.939 ( -0.229 -2.507 -1.112) 2.752 23.336 ( -0.717 3.598 1.803) 4.088 23.502 ( 2.526 7.155 -10.374) 12.853 25.959 ( 1.972 -1.365 9.311) 9.615 26.095 ( -0.360 2.144 -4.351) 4.864 26.336 ( -1.704 0.195 10.949) 11.082 26.660 ( 5.283 -2.191 -1.560) 5.929 ======================= Grid point 128 (62/100) ======================= q-point: (-0.17 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -10.027 12.776 38.362) 41.658 1.817 ( -14.151 4.315 38.549) 41.291 3.042 ( 6.698 2.161 -6.869) 9.834 3.238 ( -10.281 22.653 39.209) 46.434 3.385 ( -1.536 15.321 5.807) 16.456 3.594 ( 7.425 -1.455 -3.021) 8.147 3.675 ( -3.017 2.434 -5.720) 6.910 3.902 ( 10.666 -0.076 -10.737) 15.135 3.979 ( -2.457 12.334 -5.263) 13.633 4.055 ( 2.537 16.372 12.271) 20.617 4.235 ( 9.267 2.394 3.114) 10.065 4.579 ( -4.479 2.771 1.481) 5.471 4.585 ( -5.590 2.265 -7.854) 9.903 4.869 ( 3.191 4.617 1.586) 5.832 4.960 ( -2.775 2.981 -0.006) 4.073 5.057 ( -13.192 -1.628 0.514) 13.302 5.392 ( 5.270 -3.330 2.963) 6.902 5.444 ( 0.224 -1.972 -11.862) 12.027 5.500 ( -9.481 2.889 0.184) 9.913 5.537 ( -3.229 -1.847 -5.497) 6.637 5.604 ( -3.895 2.356 -1.981) 4.964 5.696 ( 0.360 6.479 0.666) 6.523 5.894 ( -5.750 -5.461 3.133) 8.526 5.951 ( 8.964 -5.049 -10.404) 14.632 6.105 ( -2.036 -2.348 0.066) 3.108 6.179 ( -0.570 1.251 0.166) 1.385 6.325 ( -7.316 2.410 7.343) 10.641 6.472 ( 5.791 -8.395 -4.132) 11.004 6.533 ( 1.299 2.624 1.082) 3.121 6.594 ( 2.801 -2.274 -5.564) 6.631 6.694 ( 10.415 -3.210 -4.072) 11.634 6.881 ( 6.391 3.927 3.033) 8.091 7.024 ( -1.286 -0.234 -3.094) 3.359 7.076 ( -0.377 -7.236 -3.266) 7.948 7.161 ( -3.680 -3.248 0.721) 4.961 7.327 ( 2.502 3.374 -0.171) 4.204 7.438 ( 11.043 2.705 -12.677) 17.028 7.488 ( -3.925 -6.215 0.270) 7.355 7.736 ( -0.235 -3.217 -4.596) 5.614 7.854 ( -1.797 -0.046 -3.899) 4.293 8.002 ( -2.205 -4.838 -1.504) 5.525 8.027 ( 2.868 2.485 1.643) 4.135 8.092 ( -2.169 -3.635 -0.745) 4.298 8.258 ( -5.726 -8.052 1.948) 10.071 8.330 ( 1.123 -6.558 13.037) 14.636 8.463 ( 0.531 -2.981 1.681) 3.464 8.748 ( 3.834 1.963 6.766) 8.021 8.796 ( 0.364 -0.588 2.795) 2.879 8.838 ( -8.680 -2.022 -0.854) 8.953 9.047 ( -3.846 2.101 -5.927) 7.371 9.219 ( 6.972 0.376 1.789) 7.208 9.402 ( 2.277 -5.165 -5.352) 7.779 9.470 ( 3.444 1.852 1.813) 4.310 9.538 ( 1.234 -3.228 1.671) 3.839 9.821 ( 3.084 0.305 6.902) 7.566 9.866 ( 0.421 10.360 1.557) 10.485 10.050 ( 10.882 4.380 -7.685) 14.024 10.110 ( -6.745 7.738 -12.450) 16.136 10.383 ( 0.616 8.035 -5.817) 9.938 10.588 ( -3.135 -0.310 1.024) 3.313 10.798 ( 9.853 1.715 2.118) 10.223 10.870 ( 2.280 -12.504 4.246) 13.401 11.135 ( 5.309 -2.166 5.182) 7.728 11.219 ( -5.707 6.317 0.332) 8.520 11.298 ( -0.169 3.740 -2.012) 4.250 11.572 ( 3.907 -5.068 -0.792) 6.448 11.703 ( 6.427 -7.899 2.358) 10.452 11.902 ( 9.223 -4.836 3.743) 11.066 12.121 ( -7.121 -10.158 1.682) 12.519 12.416 ( 3.981 -8.298 3.615) 9.888 12.458 ( -1.390 -2.875 7.385) 8.046 12.656 ( -14.239 8.426 6.216) 17.674 12.741 ( -1.264 -1.827 3.601) 4.231 12.979 ( 2.584 -9.406 -0.572) 9.771 13.036 ( -0.331 10.354 -0.583) 10.376 13.308 ( 5.922 4.873 -2.217) 7.983 13.835 ( 5.045 -6.604 0.431) 8.322 13.968 ( -20.788 -3.997 -13.567) 25.143 14.143 ( 4.832 4.737 -5.803) 8.914 14.761 ( -8.880 -26.430 0.398) 27.885 14.901 ( 0.610 -3.923 -3.934) 5.590 15.095 ( -5.486 -7.203 5.024) 10.355 15.362 ( -0.519 -1.796 1.404) 2.338 15.490 ( 2.527 8.808 0.214) 9.166 15.531 ( 0.290 1.634 -2.048) 2.636 15.801 ( 5.411 6.230 -6.151) 10.292 16.223 ( -10.446 18.641 -4.065) 21.751 16.338 ( -7.677 9.331 0.274) 12.086 17.072 ( 3.620 0.280 -3.969) 5.379 17.329 ( 10.382 -3.330 4.588) 11.829 18.024 ( -3.387 -4.653 7.319) 9.311 18.598 ( -7.965 -5.969 8.489) 13.082 19.324 ( 5.929 -0.939 -0.295) 6.010 19.706 ( -8.640 -10.739 2.889) 14.083 20.412 ( 1.577 0.435 -1.485) 2.209 20.448 ( 6.339 2.601 -0.451) 6.867 20.760 ( 3.232 -3.096 -5.982) 7.471 20.949 ( -3.939 6.113 -8.190) 10.952 21.771 ( -2.556 -0.468 4.260) 4.990 21.895 ( -0.357 1.640 -4.350) 4.663 22.784 ( 0.041 3.394 9.961) 10.523 22.932 ( -1.159 -3.192 1.988) 3.935 23.312 ( -2.336 4.347 -1.073) 5.050 23.412 ( -2.036 10.351 -13.292) 16.969 25.972 ( -0.752 -1.078 -1.037) 1.674 26.041 ( -3.875 1.617 -1.980) 4.642 26.561 ( 12.217 -6.761 12.785) 18.932 26.753 ( 5.012 -2.627 0.963) 5.740 ======================= Grid point 129 (63/100) ======================= q-point: ( 0.00 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 4.565 23.380 27.233) 36.182 2.502 ( 12.476 19.356 36.657) 43.290 3.136 ( 1.624 6.731 -11.479) 13.406 3.541 ( -1.179 -3.285 -2.974) 4.586 3.636 ( -6.817 11.595 -4.842) 14.295 3.744 ( -13.201 17.522 7.886) 23.313 3.782 ( 3.327 -4.821 -5.157) 7.804 4.029 ( 5.533 13.092 -12.982) 19.250 4.080 ( 4.262 14.167 21.572) 26.158 4.292 ( -13.712 1.218 -3.494) 14.202 4.456 ( 15.564 4.126 -6.294) 17.288 4.591 ( -7.928 4.610 2.640) 9.543 4.692 ( 13.404 2.770 -2.449) 13.905 4.772 ( -7.864 1.332 6.208) 10.107 4.973 ( -4.356 -0.176 -2.346) 4.950 5.012 ( -3.044 4.891 4.031) 7.031 5.251 ( -9.679 0.127 -2.155) 9.916 5.303 ( -0.816 -5.668 -4.017) 6.995 5.464 ( 4.651 2.041 -3.444) 6.137 5.544 ( -5.007 0.907 3.726) 6.307 5.706 ( 0.381 -0.225 0.431) 0.618 5.710 ( 4.456 2.646 2.712) 5.849 5.833 ( -0.784 -5.162 -1.714) 5.496 5.858 ( 1.890 -2.140 -1.766) 3.357 6.074 ( -0.822 1.976 -3.422) 4.036 6.136 ( -2.818 0.776 1.627) 3.345 6.295 ( -0.159 0.621 1.110) 1.282 6.362 ( 3.227 -4.364 -1.110) 5.540 6.557 ( 2.857 -1.444 -1.737) 3.642 6.684 ( -2.083 4.634 4.297) 6.654 6.716 ( 0.855 -0.622 -8.288) 8.355 6.880 ( 0.584 -2.881 -1.743) 3.418 7.032 ( 2.240 -0.178 3.332) 4.019 7.098 ( 4.473 2.413 -3.780) 6.334 7.129 ( 2.211 -1.101 -2.297) 3.372 7.303 ( -4.606 0.490 -2.019) 5.053 7.407 ( 0.368 -4.913 -1.112) 5.051 7.454 ( -0.443 -4.491 6.440) 7.864 7.540 ( -1.678 0.657 -11.954) 12.089 7.724 ( -0.385 -7.010 -0.482) 7.037 7.842 ( -0.392 -2.236 -2.474) 3.358 7.907 ( -1.264 -7.147 -4.180) 8.375 8.029 ( 0.168 1.219 1.094) 1.646 8.272 ( -1.176 -3.217 11.246) 11.757 8.306 ( 1.255 2.908 -7.446) 8.091 8.439 ( 2.363 -1.969 4.456) 5.415 8.655 ( -4.483 0.515 0.033) 4.513 8.871 ( -0.186 -0.895 -1.440) 1.706 8.909 ( 6.245 4.945 -0.406) 7.976 9.016 ( -1.766 1.284 10.442) 10.668 9.074 ( -8.177 -5.891 2.542) 10.394 9.365 ( 4.784 -3.521 3.485) 6.887 9.552 ( -0.429 2.737 -1.524) 3.162 9.795 ( -1.619 -5.481 1.607) 5.937 9.913 ( -6.725 15.400 3.647) 17.195 10.010 ( 3.601 5.362 -5.172) 8.275 10.100 ( 5.204 1.127 -8.243) 9.813 10.154 ( -0.098 7.359 0.774) 7.400 10.452 ( -9.276 1.531 -4.608) 10.470 10.574 ( 0.906 3.471 -6.670) 7.573 10.753 ( 9.891 -2.986 6.755) 12.344 11.024 ( 5.439 1.180 3.087) 6.364 11.107 ( -8.942 -4.600 -7.362) 12.463 11.172 ( -5.100 -3.612 6.296) 8.871 11.346 ( 4.697 1.566 -3.785) 6.232 11.437 ( -2.556 -11.143 0.302) 11.437 11.754 ( 1.872 -10.220 -6.834) 12.437 11.826 ( 9.046 -1.732 -4.470) 10.238 11.871 ( -0.444 -14.622 16.029) 21.701 12.291 ( 7.128 -13.487 -0.411) 15.260 12.413 ( -0.025 -4.664 3.055) 5.576 12.570 ( -3.048 0.236 -1.629) 3.464 12.716 ( -4.094 -7.747 4.149) 9.695 12.867 ( 0.633 -0.757 0.942) 1.364 13.154 ( 3.241 -3.064 8.627) 9.712 13.367 ( -1.813 5.603 -1.618) 6.107 13.645 ( 0.097 -10.741 -11.538) 15.764 13.715 ( -0.927 2.927 -12.769) 13.133 14.177 ( -6.303 -17.198 6.785) 19.533 14.252 ( 5.112 -7.859 0.752) 9.405 14.782 ( -3.193 2.565 8.885) 9.784 15.156 ( -1.027 7.972 2.000) 8.283 15.419 ( 0.924 2.261 5.126) 5.678 15.544 ( -2.116 4.953 -1.886) 5.706 15.711 ( -1.535 9.074 -3.328) 9.786 16.022 ( 4.920 12.585 -10.366) 17.031 16.317 ( -10.240 5.047 6.128) 12.957 16.440 ( 0.276 15.500 -2.389) 15.685 17.109 ( 1.791 -3.306 0.810) 3.846 17.259 ( -0.535 -4.933 -3.531) 6.090 18.087 ( 10.689 -11.217 9.568) 18.210 18.354 ( -0.623 -10.373 -3.615) 11.002 19.357 ( -5.189 -3.527 6.207) 8.826 19.477 ( 6.198 -4.892 0.454) 7.910 20.477 ( 3.604 1.909 0.449) 4.103 20.538 ( -5.067 3.496 -0.060) 6.157 20.743 ( 1.439 -5.597 -4.072) 7.069 20.856 ( 2.271 -2.834 -8.958) 9.666 21.783 ( -0.755 2.367 0.955) 2.662 21.898 ( 2.477 0.438 -4.343) 5.019 22.894 ( -3.828 2.955 8.699) 9.953 22.928 ( -1.024 1.565 8.306) 8.514 23.384 ( -0.391 6.926 -3.226) 7.651 23.495 ( 0.771 8.179 -12.649) 15.083 25.956 ( -2.145 1.551 0.615) 2.718 26.011 ( -0.276 1.484 -1.805) 2.353 26.571 ( 1.038 -8.154 7.582) 11.183 26.720 ( 0.696 -6.259 -0.248) 6.302 ======================= Grid point 130 (64/100) ======================= q-point: ( 0.17 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 1.175 20.682 20.514) 29.154 2.887 ( 1.443 12.832 17.678) 21.892 3.057 ( 0.354 3.811 4.382) 5.818 3.357 ( -4.817 11.051 -27.132) 29.689 3.450 ( -8.989 4.981 -3.528) 10.866 3.562 ( -9.820 7.814 0.834) 12.577 3.814 ( -0.115 -6.944 -2.235) 7.296 3.866 ( -13.120 1.219 -5.240) 14.180 4.202 ( 4.529 9.241 3.517) 10.876 4.290 ( -3.586 3.788 10.469) 11.697 4.626 ( 9.812 9.850 -5.163) 14.831 4.665 ( 7.920 6.416 22.858) 25.028 4.737 ( 3.100 2.608 2.508) 4.764 4.829 ( -8.663 -1.341 -2.188) 9.035 4.935 ( 9.350 4.426 -4.561) 11.305 4.973 ( 3.365 5.723 -2.576) 7.121 5.151 ( -3.278 0.964 7.418) 8.167 5.311 ( 3.906 -4.899 -3.852) 7.355 5.451 ( -4.715 -0.186 1.068) 4.838 5.540 ( 2.803 3.490 0.848) 4.556 5.703 ( -1.379 -6.322 0.546) 6.494 5.795 ( 3.649 1.029 0.332) 3.806 5.849 ( 5.404 -2.197 -0.914) 5.905 5.889 ( -0.999 -2.129 2.743) 3.613 6.066 ( -2.409 8.798 4.066) 9.987 6.101 ( 1.966 -7.708 -3.903) 8.861 6.297 ( -0.809 4.249 3.905) 5.827 6.394 ( 3.252 2.716 -8.986) 9.935 6.535 ( -2.070 -1.377 -3.808) 4.548 6.623 ( 0.211 -1.743 -5.030) 5.328 6.706 ( -3.198 2.755 2.889) 5.116 6.793 ( -7.470 3.278 -2.235) 8.458 7.068 ( -0.222 1.357 -3.079) 3.372 7.138 ( 0.320 -4.807 0.126) 4.820 7.177 ( 3.176 -0.442 -3.014) 4.401 7.232 ( 2.382 -1.659 -4.627) 5.463 7.335 ( -2.561 -8.271 -0.443) 8.670 7.480 ( 1.132 6.671 -7.276) 9.936 7.627 ( 7.026 -0.877 3.506) 7.901 7.688 ( -0.791 2.218 1.300) 2.689 7.841 ( 9.117 -8.664 -2.008) 12.737 7.950 ( -0.374 -8.081 3.863) 8.964 8.026 ( -5.072 3.042 1.184) 6.032 8.201 ( 2.599 1.965 -6.281) 7.075 8.370 ( -1.703 -1.313 -1.773) 2.787 8.435 ( -0.859 -6.314 15.150) 16.435 8.719 ( 2.093 1.124 -3.791) 4.473 8.825 ( 1.542 -0.740 1.347) 2.177 8.885 ( -4.021 0.351 -2.044) 4.525 9.034 ( -4.023 4.745 8.947) 10.898 9.109 ( 3.774 0.778 8.429) 9.268 9.444 ( -5.581 6.211 -1.503) 8.484 9.495 ( 2.455 -4.060 -2.327) 5.284 9.723 ( -6.407 2.948 -0.859) 7.105 9.771 ( -8.066 9.479 4.913) 13.381 9.905 ( -12.011 3.985 -5.228) 13.692 10.055 ( 3.660 1.668 0.234) 4.028 10.184 ( -4.634 0.640 -5.601) 7.297 10.449 ( 4.546 0.508 0.841) 4.651 10.548 ( 5.055 4.962 -5.418) 8.918 10.856 ( -10.025 -7.944 -1.842) 12.923 10.994 ( 0.539 -3.997 10.784) 11.514 11.032 ( -3.541 -5.313 -3.355) 7.212 11.108 ( 1.603 -2.240 0.897) 2.897 11.308 ( -3.760 -6.501 -4.065) 8.539 11.445 ( -2.061 -2.944 -2.515) 4.386 11.758 ( 5.164 -8.943 -7.829) 12.959 11.873 ( 4.334 -9.970 5.260) 12.077 12.068 ( 8.809 -5.083 0.873) 10.208 12.244 ( -6.915 -7.899 -8.115) 13.269 12.408 ( -2.677 -8.405 7.393) 11.509 12.609 ( 5.127 -5.278 -4.693) 8.727 12.776 ( 3.711 -6.044 8.888) 11.371 12.918 ( 7.548 3.618 -3.653) 9.133 13.225 ( -6.906 5.352 4.746) 9.943 13.417 ( 9.641 3.400 5.198) 11.468 13.608 ( 5.492 -15.182 -5.822) 17.162 13.642 ( 1.492 3.821 -13.139) 13.765 14.112 ( -5.713 -14.357 3.521) 15.848 14.352 ( 4.788 -13.625 1.802) 14.554 14.786 ( -4.556 6.880 13.334) 15.681 15.092 ( -4.775 8.539 -3.999) 10.570 15.453 ( -1.722 6.322 3.809) 7.579 15.519 ( 0.122 -0.335 1.508) 1.549 15.632 ( -4.596 8.244 0.167) 9.440 15.997 ( 1.151 12.940 -10.159) 16.492 16.230 ( -3.609 6.384 5.916) 9.422 16.514 ( 5.584 14.250 3.202) 15.636 17.077 ( -3.873 -6.310 -1.981) 7.664 17.283 ( 3.733 -3.507 -1.287) 5.281 18.144 ( -2.430 -6.254 -2.048) 7.015 18.525 ( 16.010 -21.713 -2.844) 27.127 19.280 ( -4.191 0.880 2.433) 4.925 19.672 ( 12.111 -7.550 0.998) 14.306 20.421 ( -6.343 1.463 -0.503) 6.529 20.469 ( -13.703 -0.205 -3.301) 14.097 20.583 ( 1.456 2.405 -0.325) 2.830 21.016 ( 12.018 -7.512 -6.294) 15.508 21.773 ( -0.781 2.855 0.888) 3.090 21.934 ( 4.621 0.425 -4.758) 6.646 22.866 ( -5.729 4.188 8.569) 11.126 22.962 ( -1.714 0.467 6.916) 7.141 23.374 ( 1.969 7.469 -2.859) 8.237 23.451 ( 2.337 8.093 -7.051) 10.985 25.899 ( -3.319 3.088 0.164) 4.536 26.045 ( 3.305 0.094 0.604) 3.362 26.578 ( -5.091 -6.515 5.897) 10.156 26.692 ( -2.554 -5.899 -2.397) 6.861 ======================= Grid point 131 (65/100) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( -0.900 10.612 6.847) 12.662 2.715 ( -7.219 3.673 -9.450) 12.446 3.160 ( -20.066 9.884 0.499) 22.374 3.192 ( 3.545 4.702 -20.985) 21.796 3.361 ( -0.212 21.450 11.881) 24.521 3.440 ( 3.891 -0.160 4.715) 6.115 3.561 ( -12.711 3.752 -4.728) 14.072 3.778 ( -2.658 -0.023 5.935) 6.503 4.252 ( -4.496 -0.762 3.203) 5.573 4.335 ( 4.295 2.884 8.468) 9.923 4.611 ( -5.573 6.229 -7.955) 11.539 4.705 ( 0.227 0.782 -4.002) 4.084 4.833 ( 3.090 2.551 1.847) 4.412 4.894 ( 6.469 2.593 -4.227) 8.151 4.988 ( -4.608 5.139 14.244) 15.829 5.124 ( 5.187 8.284 0.761) 9.804 5.295 ( 8.963 -0.200 3.143) 9.500 5.355 ( 5.891 1.059 5.722) 8.280 5.414 ( 1.010 -4.880 0.680) 5.030 5.618 ( 5.320 5.575 1.239) 7.804 5.707 ( 1.307 -2.485 2.074) 3.491 5.805 ( -0.845 -2.590 -3.708) 4.601 5.850 ( -3.160 -2.092 1.323) 4.015 5.945 ( -0.700 -4.893 6.376) 8.068 6.091 ( -0.005 0.722 3.394) 3.469 6.154 ( 9.285 -3.323 -5.547) 11.315 6.265 ( -2.752 7.105 2.669) 8.073 6.387 ( -0.107 -1.164 -3.431) 3.624 6.507 ( 0.669 2.155 0.933) 2.442 6.595 ( -8.149 4.601 2.990) 9.825 6.624 ( 1.098 -1.190 -4.924) 5.183 6.698 ( -0.808 -1.127 -2.230) 2.626 6.939 ( -6.264 0.275 -6.731) 9.199 7.151 ( -1.512 -5.558 1.085) 5.861 7.199 ( 1.981 -0.850 -2.547) 3.337 7.288 ( -0.381 -5.779 0.372) 5.803 7.333 ( 9.318 1.466 -4.957) 10.655 7.445 ( 1.321 14.324 -4.606) 15.104 7.664 ( 4.380 -4.829 -1.561) 6.704 7.872 ( 4.982 2.127 3.464) 6.430 7.906 ( -4.115 -0.019 3.725) 5.551 7.957 ( -0.367 -8.451 5.465) 10.071 8.012 ( 6.552 0.231 -0.428) 6.570 8.203 ( -1.898 9.827 -6.017) 11.678 8.380 ( 5.470 -7.358 1.524) 9.295 8.500 ( 0.008 -1.772 5.323) 5.610 8.642 ( -7.817 -1.730 0.732) 8.039 8.808 ( -1.793 1.814 3.453) 4.292 8.913 ( -2.121 -0.541 3.766) 4.356 9.048 ( 4.786 1.942 0.743) 5.218 9.227 ( -4.169 6.251 0.401) 7.524 9.261 ( -0.436 2.141 0.302) 2.206 9.494 ( -0.804 4.017 -2.003) 4.560 9.625 ( -4.780 10.663 5.007) 12.713 9.680 ( -10.038 -12.188 -4.337) 16.375 9.752 ( -1.769 4.097 7.746) 8.940 10.080 ( -1.678 -0.566 4.230) 4.586 10.197 ( 9.609 6.434 -2.466) 11.824 10.321 ( -7.499 5.957 -10.977) 14.568 10.576 ( -4.297 -5.286 -3.625) 7.716 10.812 ( 1.968 -4.611 0.741) 5.068 10.923 ( -11.783 -10.786 8.888) 18.280 10.967 ( 1.612 -6.511 -8.845) 11.100 11.085 ( -4.652 -3.927 -1.179) 6.201 11.309 ( 3.129 -9.100 -4.172) 10.488 11.424 ( 5.414 3.256 3.044) 7.013 11.771 ( 1.580 -4.630 -8.284) 9.620 11.992 ( -0.460 -2.852 -0.763) 2.988 12.105 ( 1.686 -4.977 -6.733) 8.540 12.122 ( -0.533 -16.085 -3.789) 16.534 12.380 ( -4.874 -6.186 5.469) 9.588 12.690 ( 6.707 -6.186 -6.861) 11.416 12.868 ( 2.613 -3.383 5.792) 7.198 13.012 ( 4.381 5.943 -3.004) 7.971 13.113 ( -7.612 8.116 3.824) 11.766 13.552 ( -0.857 5.800 -13.466) 14.686 13.593 ( 4.830 0.458 7.826) 9.207 13.842 ( 17.598 -11.386 7.348) 22.211 14.022 ( -5.331 -13.294 -0.054) 14.323 14.434 ( 1.775 -17.994 3.934) 18.504 14.796 ( -4.498 4.004 8.767) 10.636 14.989 ( -1.814 4.998 -5.138) 7.394 15.442 ( -0.943 4.612 1.943) 5.093 15.522 ( -0.867 2.756 0.533) 2.938 15.575 ( -4.752 5.376 5.617) 9.112 15.952 ( 0.893 12.710 -7.424) 14.746 16.264 ( 0.992 5.620 9.474) 11.060 16.628 ( 3.585 13.138 4.524) 14.350 16.999 ( -1.807 -5.599 -4.368) 7.328 17.301 ( -0.705 -4.202 -3.398) 5.450 18.137 ( 4.476 -5.018 -2.118) 7.050 18.663 ( 1.765 -21.919 -7.072) 23.099 19.305 ( 7.119 1.756 -0.067) 7.332 19.811 ( -0.204 -5.771 -4.257) 7.174 20.217 ( -6.754 -3.637 0.475) 7.685 20.319 ( -4.866 -1.678 0.105) 5.149 20.657 ( 3.464 4.998 3.585) 7.059 21.124 ( 6.075 -7.174 -8.606) 12.745 21.774 ( -0.292 2.785 1.987) 3.434 21.976 ( 4.157 0.231 -6.061) 7.354 22.825 ( -5.280 5.521 8.202) 11.208 22.960 ( -2.730 -0.188 4.268) 5.070 23.401 ( 2.295 7.209 -1.552) 7.723 23.486 ( 5.377 6.590 -2.616) 8.898 25.862 ( -1.749 3.566 2.773) 4.844 26.111 ( 3.060 -0.591 0.886) 3.240 26.496 ( -7.910 -3.487 4.828) 9.901 26.614 ( -2.686 -4.548 -4.830) 7.157 ======================= Grid point 132 (66/100) ======================= q-point: (-0.50 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( -16.331 7.509 1.264) 18.019 2.597 ( -10.684 13.506 -8.415) 19.167 2.856 ( -7.363 6.939 6.884) 12.237 3.109 ( -1.000 4.742 -1.483) 5.068 3.261 ( 5.522 0.512 -10.008) 11.442 3.474 ( 9.596 2.811 -13.137) 16.509 3.665 ( 0.167 4.874 12.495) 13.413 3.926 ( 9.247 19.526 17.094) 27.549 4.158 ( -8.221 1.829 2.582) 8.809 4.400 ( -1.691 1.619 -1.651) 2.864 4.497 ( -3.294 12.924 2.806) 13.629 4.663 ( -1.638 1.274 -3.046) 3.685 4.821 ( -1.041 4.630 -3.515) 5.906 4.974 ( -4.263 2.829 11.743) 12.809 5.048 ( 10.937 3.166 -7.574) 13.675 5.196 ( 0.365 5.121 -0.330) 5.144 5.290 ( 3.471 1.071 -2.313) 4.307 5.448 ( 2.051 -3.168 -1.355) 4.010 5.488 ( -5.110 -4.814 7.177) 10.039 5.645 ( 0.803 0.201 -3.884) 3.971 5.734 ( -2.369 -2.899 -4.517) 5.867 5.789 ( 0.793 -7.188 2.663) 7.706 5.821 ( -5.574 2.547 4.212) 7.436 5.974 ( -1.567 -2.219 7.691) 8.157 6.072 ( 3.929 0.934 -0.580) 4.080 6.249 ( -0.981 -2.107 5.264) 5.755 6.306 ( 2.171 -0.187 0.913) 2.363 6.356 ( -1.059 -4.142 -5.418) 6.901 6.480 ( -7.429 3.624 1.957) 8.495 6.501 ( -0.132 6.044 0.807) 6.099 6.603 ( 1.910 -0.915 -0.222) 2.130 6.797 ( 9.546 -6.263 -2.905) 11.781 6.875 ( 4.146 -1.756 -0.322) 4.515 7.114 ( -1.252 -1.203 -3.569) 3.969 7.164 ( -1.843 0.000 -5.951) 6.230 7.269 ( -1.755 0.258 2.826) 3.336 7.510 ( 5.038 6.311 2.274) 8.389 7.533 ( 12.343 2.051 -0.901) 12.545 7.686 ( -3.050 -1.399 3.192) 4.632 7.827 ( -4.560 1.325 -4.791) 6.746 7.876 ( -9.100 0.526 -0.377) 9.123 7.955 ( 1.712 -3.359 4.897) 6.180 8.071 ( 5.089 -6.283 0.042) 8.085 8.229 ( 6.103 15.149 -5.352) 17.187 8.415 ( -9.861 -0.378 2.298) 10.133 8.514 ( 2.895 -1.925 -1.786) 3.909 8.622 ( 0.480 -1.672 10.619) 10.761 8.777 ( -0.317 -0.271 0.724) 0.835 8.897 ( -0.078 1.707 0.919) 1.940 9.009 ( -6.222 4.190 -0.482) 7.517 9.257 ( -3.304 -8.497 -0.382) 9.125 9.301 ( 7.985 -0.309 4.259) 9.055 9.466 ( -10.146 -10.161 -2.146) 14.518 9.551 ( 7.162 6.916 -2.774) 10.336 9.607 ( -1.160 7.084 6.790) 9.881 9.787 ( 2.177 3.189 2.536) 4.620 10.126 ( -2.020 -3.912 -3.491) 5.619 10.160 ( 4.249 10.433 -4.401) 12.095 10.365 ( 7.761 5.383 3.046) 9.924 10.481 ( -0.754 -0.556 -4.014) 4.122 10.721 ( -5.873 -2.063 -5.802) 8.509 10.801 ( -6.957 -11.049 9.843) 16.351 10.973 ( 3.885 1.284 -10.092) 10.890 11.112 ( 6.899 -10.979 0.069) 12.966 11.373 ( 5.207 -7.711 2.484) 9.630 11.523 ( 1.552 1.619 0.811) 2.385 11.679 ( -5.577 -4.268 -7.189) 10.050 11.795 ( -10.730 -0.713 -14.180) 17.796 12.113 ( 3.098 -12.775 -1.249) 13.204 12.153 ( 0.109 -9.441 3.154) 9.955 12.340 ( -3.433 -5.555 3.551) 7.433 12.698 ( 1.966 -9.562 -10.379) 14.249 12.936 ( -3.938 9.997 8.631) 13.782 13.006 ( -4.886 3.750 3.331) 7.003 13.099 ( 6.353 4.988 0.605) 8.100 13.424 ( -3.030 5.512 -11.248) 12.887 13.706 ( 0.714 0.291 6.944) 6.987 13.962 ( 1.908 -12.223 -4.137) 13.045 14.207 ( 14.106 -13.303 9.843) 21.745 14.445 ( -3.122 -18.230 1.879) 18.591 14.720 ( -9.685 -1.697 4.766) 10.927 14.975 ( 4.001 2.882 -4.121) 6.426 15.431 ( -3.830 -0.185 1.966) 4.309 15.520 ( 2.447 1.183 -0.999) 2.896 15.556 ( -1.775 10.547 7.535) 13.083 15.925 ( 1.609 13.058 -6.290) 14.583 16.370 ( 0.868 4.225 13.497) 14.169 16.698 ( 1.369 11.819 2.915) 12.250 16.970 ( 2.183 -3.258 -3.416) 5.200 17.217 ( -3.331 -2.804 -8.011) 9.118 18.260 ( 7.879 -7.767 2.974) 11.456 18.511 ( -10.891 -15.058 -9.863) 21.039 19.481 ( 10.449 -2.046 -0.141) 10.648 19.601 ( -13.486 -0.385 -5.750) 14.666 20.216 ( -1.466 -5.847 2.689) 6.600 20.299 ( 4.537 -5.626 -0.991) 7.295 20.744 ( 2.307 4.682 5.980) 7.938 21.117 ( 1.889 -5.082 -11.767) 12.956 21.785 ( -0.676 2.173 3.039) 3.797 21.987 ( 2.267 0.063 -7.012) 7.369 22.804 ( -3.522 5.673 8.321) 10.669 22.937 ( -2.584 0.021 3.223) 4.131 23.426 ( 1.064 6.544 0.110) 6.631 23.573 ( 6.585 4.996 -4.932) 9.625 25.886 ( 0.489 3.099 7.309) 7.954 26.142 ( 0.565 -0.450 -1.995) 2.122 26.390 ( -7.329 -1.103 4.511) 8.676 26.563 ( 1.313 -3.467 -4.381) 5.739 ======================= Grid point 133 (67/100) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( -20.555 16.078 10.822) 28.251 2.248 ( -20.847 22.012 8.878) 31.590 2.976 ( 12.702 5.275 -3.337) 14.153 3.231 ( 11.405 6.473 1.104) 13.160 3.387 ( 11.640 -1.713 -2.220) 11.973 3.623 ( 14.956 2.399 -6.826) 16.615 3.740 ( -0.928 8.669 13.763) 16.292 3.994 ( -8.023 6.616 1.399) 10.493 4.177 ( 2.730 10.157 7.033) 12.652 4.332 ( 1.376 12.510 -7.392) 14.595 4.448 ( -8.385 12.533 4.119) 15.632 4.634 ( -0.386 5.631 0.403) 5.659 4.772 ( -1.198 1.996 -2.126) 3.153 4.975 ( -0.881 3.181 -1.341) 3.563 5.082 ( -6.267 3.839 -1.055) 7.425 5.192 ( 5.182 2.861 0.760) 5.968 5.329 ( -10.452 0.520 3.160) 10.932 5.427 ( 2.297 -1.803 -0.356) 2.942 5.483 ( 4.219 -1.643 2.592) 5.217 5.632 ( -2.705 -4.140 -5.248) 7.211 5.639 ( -6.467 -0.515 -2.598) 6.989 5.723 ( 1.727 -7.738 1.867) 8.146 5.883 ( 5.721 -1.868 3.768) 7.100 5.927 ( -6.843 -0.204 2.402) 7.256 6.093 ( -5.677 3.323 -0.714) 6.617 6.242 ( -2.080 -1.598 -4.020) 4.800 6.270 ( -3.699 -6.503 6.554) 9.946 6.358 ( -2.210 -3.097 -5.133) 6.389 6.419 ( 8.139 2.308 6.498) 10.667 6.588 ( 8.231 4.696 -3.710) 10.176 6.611 ( -2.482 -3.706 -1.588) 4.735 6.879 ( 0.734 -8.406 1.445) 8.561 6.997 ( 1.935 -0.864 -4.021) 4.546 7.048 ( 3.764 2.139 -5.470) 6.976 7.125 ( 1.420 0.364 0.052) 1.467 7.318 ( 3.451 -0.835 4.862) 6.020 7.437 ( -12.507 10.491 -1.046) 16.358 7.553 ( -3.354 2.387 -3.367) 5.318 7.702 ( 2.443 -3.727 -0.039) 4.456 7.825 ( 0.774 -6.909 4.393) 8.224 7.875 ( 5.827 1.938 6.012) 8.594 8.002 ( 0.902 -0.169 -11.323) 11.360 8.115 ( -1.891 -10.094 7.931) 12.976 8.210 ( -5.268 1.887 -3.679) 6.697 8.300 ( 2.239 8.112 -6.607) 10.699 8.471 ( -5.910 -3.105 -1.273) 6.796 8.678 ( 2.786 1.072 9.220) 9.691 8.807 ( -8.106 2.908 4.084) 9.531 8.876 ( -4.574 -6.761 -0.758) 8.198 8.945 ( 4.828 -2.578 3.607) 6.555 9.250 ( -4.064 -7.296 -5.599) 10.055 9.268 ( 3.306 1.446 -1.495) 3.906 9.469 ( 4.139 6.800 8.018) 11.299 9.584 ( 1.480 2.897 -5.633) 6.505 9.701 ( 1.226 2.761 8.837) 9.339 9.918 ( 12.172 5.908 -1.969) 13.673 10.094 ( 5.534 5.301 -7.457) 10.692 10.254 ( 3.247 -5.341 -0.235) 6.255 10.487 ( 3.939 0.820 -3.832) 5.556 10.503 ( 3.411 2.489 -0.925) 4.322 10.662 ( 3.694 5.433 2.680) 7.095 10.803 ( -1.418 -4.094 5.932) 7.346 10.969 ( 5.642 0.786 -8.225) 10.005 11.272 ( 8.304 -9.942 0.604) 12.968 11.396 ( -5.358 5.051 -6.849) 10.056 11.479 ( -2.776 -2.542 0.077) 3.765 11.573 ( -3.361 -10.003 0.657) 10.573 11.606 ( 0.784 -5.815 -0.124) 5.869 12.076 ( -6.204 -10.069 -3.830) 12.432 12.181 ( 0.643 -9.381 0.065) 9.403 12.329 ( -0.588 -6.130 6.549) 8.990 12.670 ( 3.047 -14.772 -7.439) 16.818 12.830 ( -9.861 4.691 5.076) 12.042 12.974 ( -6.309 8.556 8.079) 13.352 13.223 ( 4.762 5.390 -0.657) 7.222 13.314 ( -0.740 3.014 -6.117) 6.859 13.710 ( -1.643 -3.511 1.276) 4.081 14.044 ( 8.344 -6.747 -3.469) 11.278 14.264 ( -11.042 -11.733 -4.832) 16.821 14.388 ( -7.681 -15.169 1.318) 17.053 14.646 ( 1.924 -10.076 8.040) 13.034 15.054 ( 4.927 5.514 0.843) 7.442 15.362 ( -3.004 -3.266 0.886) 4.525 15.576 ( 1.008 6.759 2.868) 7.411 15.612 ( 4.370 8.750 2.127) 10.009 15.928 ( 3.546 12.304 -5.357) 13.880 16.447 ( -3.039 2.765 12.371) 13.035 16.689 ( -2.438 10.640 -4.638) 11.860 17.056 ( 7.243 -0.972 3.475) 8.092 17.117 ( -0.203 -1.366 -7.896) 8.016 18.190 ( -16.763 -8.968 -8.072) 20.654 18.401 ( 3.532 -10.812 5.460) 12.617 19.367 ( -7.765 1.164 -3.485) 8.591 19.597 ( -0.500 -5.893 3.701) 6.977 20.253 ( 6.966 -5.083 -0.585) 8.643 20.373 ( 4.128 -2.893 -1.726) 5.328 20.791 ( -2.008 2.576 3.896) 5.084 21.056 ( 1.255 -2.717 -11.557) 11.938 21.788 ( -1.359 1.650 3.063) 3.735 21.960 ( 0.308 0.115 -6.902) 6.910 22.818 ( -1.736 5.048 8.802) 10.294 22.920 ( -2.210 0.470 4.050) 4.638 23.435 ( -0.217 6.069 -0.100) 6.074 23.620 ( 4.527 4.698 -10.977) 12.769 25.956 ( -0.079 0.910 7.319) 7.376 26.120 ( -0.118 0.479 -3.771) 3.804 26.334 ( -1.820 -0.278 6.652) 6.902 26.600 ( 4.488 -3.932 -1.386) 6.125 ======================= Grid point 134 (68/100) ======================= q-point: (-0.17 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -3.366 16.967 24.317) 29.842 2.135 ( -2.805 30.749 26.471) 40.670 3.123 ( 8.516 6.085 -10.287) 14.675 3.469 ( 9.949 2.403 5.508) 11.623 3.587 ( 14.322 1.852 -5.752) 15.544 3.776 ( -4.978 10.939 0.855) 12.049 3.808 ( -4.824 17.144 24.544) 30.325 3.948 ( 7.640 5.097 -2.377) 9.487 4.145 ( -14.597 2.516 3.258) 15.166 4.254 ( 11.171 10.141 -18.311) 23.726 4.437 ( 2.857 8.922 1.188) 9.443 4.621 ( -2.420 3.472 -2.303) 4.818 4.697 ( -5.091 7.528 -2.418) 9.404 4.924 ( -6.116 -0.961 1.159) 6.299 5.013 ( -3.953 4.286 7.322) 9.360 5.078 ( -10.527 2.718 0.958) 10.914 5.367 ( 7.662 -0.842 -5.782) 9.635 5.385 ( -4.053 -0.535 2.231) 4.657 5.443 ( -8.143 -3.077 -4.160) 9.648 5.594 ( -0.466 -2.473 1.094) 2.744 5.605 ( 1.477 1.961 3.197) 4.031 5.783 ( -6.464 -4.658 2.719) 8.418 5.791 ( 2.772 -3.825 -4.937) 6.833 5.943 ( -4.737 5.701 -6.020) 9.549 6.046 ( 7.783 -2.260 -2.162) 8.388 6.180 ( -3.505 0.528 0.762) 3.625 6.283 ( -1.627 -4.905 6.198) 8.070 6.323 ( 1.949 -3.300 -1.802) 4.235 6.530 ( -1.038 -4.801 -2.907) 5.708 6.620 ( 3.632 3.782 10.146) 11.421 6.694 ( 9.058 1.667 -8.334) 12.421 6.891 ( -1.866 -7.230 1.046) 7.540 6.953 ( 2.328 0.461 -0.816) 2.509 7.064 ( 2.141 3.454 -3.729) 5.516 7.167 ( -4.571 5.672 1.221) 7.386 7.324 ( 3.781 -7.851 -1.507) 8.843 7.392 ( 0.550 0.676 -0.013) 0.872 7.489 ( -1.659 4.028 -3.598) 5.650 7.677 ( -4.413 -1.909 -1.408) 5.010 7.786 ( -7.028 -8.014 -0.491) 10.671 7.892 ( 1.398 0.622 -16.913) 16.982 7.965 ( -0.799 -4.621 1.130) 4.824 8.052 ( -6.627 -9.619 8.139) 14.237 8.176 ( -0.683 -2.453 8.836) 9.195 8.319 ( 4.142 8.060 -4.795) 10.253 8.402 ( 0.238 -0.144 -7.247) 7.252 8.743 ( -3.738 -4.278 7.256) 9.216 8.785 ( 2.141 1.456 5.187) 5.797 8.826 ( 2.184 -0.928 5.491) 5.982 9.048 ( -5.293 0.989 -2.437) 5.910 9.138 ( 2.514 -5.843 4.930) 8.048 9.328 ( -0.040 -3.435 -5.704) 6.659 9.550 ( -1.327 4.559 2.082) 5.184 9.674 ( 14.247 10.660 3.567) 18.147 9.774 ( 2.462 -0.481 6.189) 6.678 10.079 ( 2.804 6.181 2.408) 7.202 10.126 ( 2.801 5.257 -9.468) 11.186 10.209 ( -4.791 2.532 -8.838) 10.367 10.508 ( 4.469 -5.994 -6.235) 9.735 10.551 ( 6.715 5.741 -5.322) 10.314 10.731 ( -6.589 -0.265 6.398) 9.188 10.852 ( 8.287 4.926 0.630) 9.661 11.087 ( 6.186 -1.493 4.269) 7.663 11.280 ( -2.737 -4.150 -3.389) 6.017 11.352 ( -2.249 -1.518 -4.839) 5.548 11.439 ( 5.876 -5.387 -2.446) 8.339 11.607 ( 2.333 -2.870 6.273) 7.283 11.728 ( 7.593 -10.415 8.316) 15.339 11.913 ( -7.773 -9.236 -4.301) 12.815 12.178 ( 2.651 -13.406 -1.605) 13.759 12.385 ( 0.115 -6.916 6.244) 9.319 12.680 ( -3.885 -4.705 -2.312) 6.525 12.725 ( -0.097 -13.430 2.364) 13.637 12.893 ( -7.907 8.995 7.429) 14.093 13.166 ( -5.700 2.778 0.125) 6.342 13.365 ( 4.119 1.484 -2.237) 4.916 13.696 ( 0.831 -7.027 -4.723) 8.507 13.930 ( -12.871 0.324 -14.144) 19.126 14.165 ( 5.285 -3.946 -1.273) 6.718 14.257 ( -8.882 -20.390 7.695) 23.535 14.749 ( 2.099 -6.573 4.780) 8.394 15.124 ( 1.353 5.926 3.842) 7.192 15.369 ( 1.421 0.019 2.984) 3.305 15.585 ( -0.876 7.448 -0.826) 7.544 15.699 ( 4.097 9.068 -0.879) 9.989 15.976 ( 6.043 11.318 -6.094) 14.204 16.425 ( -7.014 3.262 7.118) 10.512 16.562 ( -6.698 12.577 -6.904) 15.834 17.072 ( 1.982 -0.489 -4.087) 4.569 17.246 ( 6.207 -5.247 2.296) 8.446 17.933 ( -5.646 -4.305 3.877) 8.090 18.427 ( -3.760 -11.115 2.493) 11.996 19.307 ( 1.998 -0.676 0.492) 2.166 19.532 ( -8.582 -7.045 5.069) 12.205 20.408 ( 5.545 -1.344 -1.159) 5.822 20.463 ( 11.136 -1.054 -0.618) 11.203 20.728 ( -3.722 0.498 -3.187) 4.926 20.988 ( -2.597 -1.782 -8.109) 8.699 21.785 ( -0.923 1.709 2.088) 2.852 21.914 ( -0.053 0.355 -5.566) 5.577 22.861 ( -0.804 4.110 9.261) 10.164 22.915 ( -2.503 0.894 6.059) 6.616 23.417 ( -1.001 6.185 -1.758) 6.507 23.578 ( 1.434 6.415 -14.645) 16.052 25.966 ( -0.975 0.558 1.376) 1.776 26.071 ( -3.098 1.468 -2.291) 4.123 26.443 ( 5.472 -5.026 9.600) 12.140 26.675 ( 3.912 -5.156 0.240) 6.477 ======================= Grid point 135 (69/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 10.856 16.492 19.338) 27.637 2.944 ( -2.286 23.141 20.817) 31.211 3.252 ( -4.913 4.592 -7.264) 9.899 3.430 ( 1.255 -8.840 -1.795) 9.108 3.679 ( -1.852 -2.785 -4.592) 5.680 3.880 ( -2.902 11.342 -6.275) 13.283 4.010 ( -9.210 12.090 1.812) 15.307 4.232 ( 5.410 0.405 2.680) 6.051 4.274 ( 2.922 1.566 -3.005) 4.474 4.355 ( 1.041 10.572 -16.959) 20.011 4.483 ( 4.861 4.994 10.496) 12.599 4.631 ( -9.909 -1.812 3.437) 10.643 4.696 ( 8.128 -0.361 2.534) 8.522 4.863 ( -0.541 0.204 -7.059) 7.083 4.956 ( -1.408 2.577 -3.404) 4.495 5.049 ( -3.159 -0.125 6.916) 7.605 5.232 ( -4.076 -0.055 -3.794) 5.569 5.242 ( -6.453 -1.968 -2.208) 7.098 5.412 ( -0.712 -10.795 2.113) 11.023 5.560 ( 2.899 5.406 -3.086) 6.867 5.665 ( 1.608 -5.627 -2.443) 6.341 5.704 ( 0.493 -5.504 -5.281) 7.644 5.797 ( 0.576 1.725 3.825) 4.236 5.823 ( -2.643 6.327 6.801) 9.657 6.095 ( 0.230 -1.600 0.515) 1.697 6.199 ( 3.235 2.428 0.830) 4.129 6.340 ( 5.504 3.979 1.256) 6.907 6.415 ( -1.942 5.106 1.098) 5.572 6.480 ( 6.249 -6.629 -0.119) 9.111 6.620 ( -1.335 -6.686 -2.145) 7.148 6.713 ( -5.277 -2.000 5.832) 8.115 6.849 ( 6.100 -2.610 -1.815) 6.879 6.957 ( -3.504 -2.914 -4.483) 6.392 7.059 ( -3.454 -6.624 -2.955) 8.033 7.137 ( -3.189 -0.974 0.246) 3.343 7.339 ( -5.613 -5.352 -4.731) 9.085 7.415 ( 11.154 8.937 5.467) 15.303 7.460 ( 2.457 10.969 2.053) 11.427 7.643 ( -2.072 5.233 -7.126) 9.081 7.719 ( -3.192 7.611 5.247) 9.780 7.829 ( 0.405 1.658 3.734) 4.105 7.903 ( -0.803 6.816 -1.632) 7.054 8.086 ( -1.282 3.645 -1.341) 4.090 8.179 ( -0.116 -1.107 9.428) 9.494 8.393 ( -1.674 3.925 -4.841) 6.453 8.480 ( 3.787 4.619 -0.493) 5.993 8.619 ( -0.456 -2.751 2.862) 3.996 8.810 ( -5.640 -6.044 0.949) 8.321 9.009 ( 5.489 4.025 -4.496) 8.157 9.036 ( -1.276 3.612 -3.662) 5.299 9.064 ( 4.405 4.241 0.290) 6.121 9.259 ( 1.987 -6.574 7.225) 9.968 9.603 ( -8.281 3.412 9.069) 12.746 9.753 ( 2.621 3.356 4.760) 6.386 10.006 ( 6.493 -3.538 -8.077) 10.951 10.091 ( -7.150 -1.750 1.276) 7.471 10.173 ( 2.831 1.879 2.541) 4.244 10.230 ( -2.112 -0.205 0.927) 2.316 10.474 ( -7.056 1.732 -8.512) 11.191 10.581 ( 0.642 -1.366 -1.179) 1.916 10.786 ( 7.484 -0.255 -2.121) 7.783 10.988 ( -7.689 -3.262 -2.321) 8.669 11.019 ( -1.454 -5.824 1.704) 6.239 11.060 ( -4.335 -7.214 4.723) 9.651 11.213 ( 3.695 -4.718 1.849) 6.272 11.348 ( 0.404 -3.418 -8.224) 8.915 11.608 ( 0.711 -3.230 -10.477) 10.986 11.617 ( -5.124 -8.656 11.939) 15.612 11.817 ( 13.208 -1.362 -6.919) 14.973 12.072 ( 3.177 -8.846 -0.940) 9.446 12.229 ( 2.344 -14.921 -0.395) 15.109 12.428 ( 3.675 -14.953 0.498) 15.406 12.574 ( 0.763 1.236 3.231) 3.543 12.869 ( -0.573 -2.395 -4.002) 4.699 13.067 ( -0.959 -3.749 3.670) 5.333 13.352 ( 2.721 -10.239 -6.275) 12.313 13.610 ( -0.958 10.182 -3.508) 10.811 13.806 ( -2.975 3.781 -8.461) 9.733 13.931 ( -6.614 -7.012 6.841) 11.820 14.104 ( 3.746 -6.798 -2.550) 8.170 14.890 ( 1.532 7.014 13.907) 15.651 15.239 ( 0.458 -0.947 13.123) 13.165 15.473 ( 0.653 5.783 -4.328) 7.253 15.694 ( -3.689 6.422 -1.108) 7.489 15.850 ( -3.100 7.250 1.333) 7.997 16.205 ( -0.714 3.704 0.213) 3.778 16.420 ( -5.442 7.994 5.433) 11.092 16.698 ( 2.654 11.095 -7.496) 13.650 17.024 ( -2.627 -6.081 -0.352) 6.634 17.156 ( 3.886 -5.271 -4.078) 7.715 17.932 ( 5.503 -4.794 4.996) 8.844 18.152 ( -0.857 -10.027 -4.842) 11.167 19.314 ( -2.171 -1.064 4.032) 4.702 19.393 ( 3.843 -3.663 0.285) 5.317 20.504 ( 5.818 0.960 1.670) 6.129 20.584 ( -3.142 0.507 2.133) 3.831 20.652 ( 0.876 -2.390 -3.278) 4.151 20.780 ( -3.697 -4.432 -6.691) 8.836 21.829 ( 0.784 2.215 -1.302) 2.687 21.898 ( 2.347 -0.322 -4.137) 4.767 22.945 ( -3.297 2.310 8.094) 9.039 22.965 ( -1.486 1.870 7.975) 8.325 23.511 ( 0.422 5.996 -3.994) 7.217 23.608 ( 1.284 3.699 -10.820) 11.507 25.991 ( -0.586 2.115 1.125) 2.467 26.047 ( -1.207 1.817 -2.080) 3.014 26.450 ( 0.616 -4.273 6.357) 7.684 26.593 ( 0.455 -6.605 -0.547) 6.644 ======================= Grid point 136 (70/100) ======================= q-point: ( 0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( -5.506 17.113 11.640) 21.416 2.977 ( -11.292 0.662 -7.822) 13.752 3.095 ( 7.765 -0.935 21.129) 22.530 3.486 ( 3.921 -0.692 -4.603) 6.086 3.586 ( -12.186 2.110 7.837) 14.642 3.733 ( -3.146 15.019 -16.492) 22.527 3.873 ( -7.445 10.865 -1.192) 13.225 3.982 ( -10.950 13.247 -2.738) 17.403 4.302 ( -9.841 1.606 -0.766) 10.001 4.346 ( 4.009 2.950 -3.107) 5.867 4.602 ( 5.706 -5.956 1.405) 8.367 4.685 ( 3.936 -4.050 3.672) 6.736 4.799 ( -1.034 -0.395 -5.621) 5.729 4.904 ( 5.002 3.424 10.318) 11.967 5.033 ( 10.974 4.129 2.822) 12.060 5.063 ( 7.328 2.244 -2.555) 8.079 5.153 ( -4.513 1.853 6.055) 7.776 5.216 ( 4.299 -3.395 -3.703) 6.612 5.390 ( -5.038 -9.337 4.141) 11.389 5.571 ( 2.853 4.711 -3.537) 6.545 5.647 ( -1.271 -8.512 -2.892) 9.079 5.679 ( 2.872 3.597 -2.299) 5.146 5.810 ( 0.090 -6.044 0.207) 6.048 5.946 ( 7.116 8.066 6.546) 12.592 6.056 ( -6.566 2.097 1.471) 7.048 6.218 ( 0.047 3.341 -2.851) 4.392 6.363 ( -1.380 -1.636 1.352) 2.532 6.464 ( 1.843 0.250 -3.853) 4.278 6.528 ( 1.107 0.908 -0.884) 1.682 6.564 ( -0.597 0.501 -7.050) 7.093 6.637 ( -4.065 -5.967 4.967) 8.764 6.838 ( -6.363 2.025 1.669) 6.883 6.982 ( 6.946 -10.759 -1.137) 12.857 7.045 ( 3.496 -4.001 0.059) 5.314 7.112 ( -2.644 -3.449 3.543) 5.607 7.214 ( -3.794 -0.914 -4.955) 6.307 7.466 ( -0.955 16.499 -2.707) 16.747 7.586 ( 2.149 5.400 -1.166) 5.928 7.669 ( 5.119 2.031 1.392) 5.680 7.749 ( 4.124 3.990 -0.002) 5.738 7.807 ( -1.946 0.130 2.252) 2.979 7.916 ( 1.215 8.733 6.430) 10.913 8.085 ( 3.850 0.092 -5.286) 6.540 8.207 ( -8.363 2.458 1.521) 8.849 8.302 ( -1.850 -6.975 12.458) 14.398 8.474 ( 5.086 11.364 -7.784) 14.683 8.744 ( -1.008 -1.755 -7.314) 7.589 8.772 ( 6.176 -1.864 6.913) 9.455 8.914 ( -4.814 2.990 -2.799) 6.321 9.091 ( 3.413 3.370 -3.629) 6.015 9.159 ( 2.236 3.565 8.127) 9.152 9.326 ( 3.161 -6.719 -4.657) 8.765 9.577 ( -1.282 8.351 11.442) 14.223 9.803 ( -0.178 5.322 4.121) 6.733 9.837 ( -10.082 -2.393 -9.411) 13.998 10.100 ( -11.979 10.294 8.015) 17.712 10.135 ( 6.757 2.312 1.053) 7.218 10.217 ( -12.343 4.470 -7.237) 14.990 10.370 ( 6.749 -8.320 4.827) 11.751 10.541 ( -2.443 -9.373 -3.326) 10.242 10.784 ( -9.006 1.164 -6.969) 11.446 10.861 ( -2.092 -6.888 0.256) 7.203 10.952 ( -11.482 -6.600 11.327) 17.427 11.062 ( 4.081 -4.448 2.947) 6.717 11.115 ( -4.266 -7.212 -8.027) 11.604 11.397 ( -4.173 -2.945 1.658) 5.370 11.561 ( 3.844 -7.839 -2.729) 9.148 11.715 ( 9.584 -6.013 0.442) 11.323 11.942 ( 8.773 -7.761 -13.943) 18.209 12.106 ( -3.086 -11.468 4.119) 12.570 12.242 ( 1.534 -5.534 -6.366) 8.574 12.430 ( 5.627 -11.141 -3.777) 13.040 12.673 ( 3.202 -2.555 3.865) 5.632 12.932 ( 10.795 -3.016 -6.517) 12.965 13.150 ( 3.887 -7.474 1.417) 8.543 13.380 ( 6.098 -8.451 -3.424) 10.969 13.611 ( 1.458 13.919 5.365) 14.989 13.721 ( -0.718 3.649 -7.191) 8.096 13.873 ( -4.811 -9.235 3.846) 11.100 14.163 ( 3.895 -6.583 0.038) 7.649 14.964 ( -4.343 9.884 14.040) 17.711 15.253 ( -4.585 6.834 -1.709) 8.405 15.471 ( 0.415 -1.475 3.905) 4.195 15.597 ( -4.399 4.241 -3.959) 7.281 15.796 ( -5.085 9.523 5.670) 12.194 16.158 ( -4.874 2.741 3.804) 6.764 16.383 ( -1.276 9.772 1.434) 9.959 16.743 ( 4.462 8.918 -1.015) 10.023 16.955 ( -3.153 -5.691 -1.727) 6.732 17.209 ( 4.248 -3.965 -4.219) 7.181 18.019 ( 1.197 -6.229 -1.527) 6.524 18.179 ( 7.507 -13.881 -2.512) 15.980 19.306 ( 0.225 1.739 1.372) 2.226 19.527 ( 9.506 -6.876 0.272) 11.735 20.431 ( -12.443 -0.682 0.129) 12.463 20.448 ( -11.906 -1.041 -4.176) 12.660 20.639 ( 5.573 3.160 1.708) 6.631 20.881 ( 9.692 -6.198 -1.850) 11.653 21.831 ( 0.749 2.880 -1.555) 3.358 21.930 ( 4.274 -0.645 -4.763) 6.432 22.937 ( -4.055 3.025 7.965) 9.436 22.983 ( -2.618 1.225 6.938) 7.516 23.506 ( 2.069 5.911 -3.536) 7.192 23.573 ( 2.189 4.429 -7.396) 8.894 25.965 ( -2.238 3.492 0.018) 4.148 26.053 ( 1.896 0.614 0.718) 2.119 26.472 ( -2.635 -4.292 4.978) 7.081 26.573 ( -1.522 -6.143 -2.158) 6.686 ======================= Grid point 137 (71/100) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( -3.245 5.979 -8.678) 11.026 2.811 ( -5.672 8.305 7.966) 12.830 3.220 ( -9.252 -2.734 -0.066) 9.647 3.385 ( -15.499 5.106 5.639) 17.265 3.481 ( -0.704 7.233 -4.789) 8.703 3.603 ( 2.224 13.033 -15.044) 20.028 3.746 ( -6.618 10.984 5.484) 13.947 3.966 ( 6.823 16.816 12.358) 21.956 4.221 ( -1.314 -0.099 4.017) 4.228 4.375 ( 0.941 0.623 1.582) 1.943 4.613 ( -3.897 -4.445 0.178) 5.914 4.725 ( 0.345 0.984 -7.429) 7.502 4.810 ( 9.163 -2.584 3.453) 10.127 4.977 ( -0.339 0.759 2.839) 2.958 5.130 ( -6.781 3.830 11.782) 14.123 5.175 ( 3.476 -1.979 7.406) 8.417 5.284 ( -2.311 -6.501 1.060) 6.980 5.291 ( 4.912 -2.890 -2.644) 6.282 5.341 ( 10.505 4.365 -3.300) 11.845 5.616 ( 2.998 -4.307 -4.406) 6.852 5.653 ( 5.728 -5.873 -3.113) 8.775 5.765 ( 3.028 1.171 5.797) 6.644 5.832 ( 5.337 -2.442 -5.953) 8.360 5.876 ( -9.457 3.716 2.468) 10.456 6.086 ( -2.962 -3.524 1.131) 4.741 6.204 ( 4.741 1.508 -6.140) 7.903 6.340 ( -1.656 -0.758 -8.590) 8.781 6.356 ( -3.910 -2.046 6.289) 7.683 6.476 ( -1.705 -3.853 -5.648) 7.047 6.603 ( 3.981 1.159 -2.645) 4.917 6.676 ( -0.472 4.401 7.099) 8.366 6.737 ( -5.954 7.226 2.877) 9.795 6.960 ( -5.797 -0.193 -3.527) 6.789 7.075 ( -2.002 -7.775 -0.367) 8.037 7.107 ( 2.905 0.861 -0.722) 3.115 7.256 ( 5.213 -1.582 5.749) 7.920 7.454 ( 3.722 9.205 -5.409) 11.307 7.640 ( 7.193 2.684 -4.574) 8.937 7.687 ( -2.130 2.396 -0.224) 3.214 7.755 ( -5.956 -2.796 9.152) 11.272 7.812 ( 1.351 -2.897 2.710) 4.191 7.992 ( -5.188 1.374 2.874) 6.088 8.056 ( 4.432 5.241 2.892) 7.448 8.235 ( 8.321 -5.125 -6.751) 11.878 8.407 ( 1.712 -1.035 11.227) 11.404 8.519 ( 4.382 12.333 -4.673) 13.898 8.651 ( -5.058 0.962 -5.476) 7.517 8.806 ( -4.379 -8.620 1.839) 9.842 8.851 ( -1.875 1.558 0.931) 2.610 9.099 ( 6.126 6.393 -4.135) 9.772 9.278 ( 2.471 4.244 -5.828) 7.621 9.348 ( 2.378 6.119 4.392) 7.899 9.571 ( -10.705 3.628 2.252) 11.525 9.668 ( -2.233 9.237 3.057) 9.983 9.831 ( -0.395 5.060 5.770) 7.685 9.886 ( -8.951 13.118 -4.648) 16.547 10.071 ( -4.071 2.008 8.176) 9.351 10.280 ( 3.287 3.084 3.131) 5.488 10.375 ( -3.832 -9.053 -2.256) 10.086 10.536 ( 1.329 -5.087 0.701) 5.304 10.651 ( 0.256 -1.818 -5.412) 5.715 10.793 ( -7.949 -8.197 2.474) 11.683 10.852 ( -2.080 -1.086 5.744) 6.205 10.990 ( -4.413 -6.218 -4.049) 8.633 11.099 ( 0.488 -10.790 -1.756) 10.943 11.392 ( 0.023 -8.270 9.768) 12.799 11.586 ( 0.188 -11.159 -7.655) 13.534 11.820 ( 3.898 -7.636 -5.591) 10.236 11.933 ( -4.181 -7.873 -0.599) 8.935 12.043 ( 2.457 -6.417 -11.688) 13.558 12.249 ( 3.579 -5.316 -9.056) 11.094 12.519 ( 4.738 -10.244 -8.372) 14.053 12.786 ( 8.460 -2.775 4.039) 9.777 13.082 ( 11.089 -1.943 -4.338) 12.065 13.191 ( -0.249 1.120 4.362) 4.510 13.503 ( 6.325 -6.582 -0.279) 9.132 13.590 ( -3.100 1.191 -4.592) 5.667 13.773 ( -1.745 -2.419 -3.056) 4.271 13.832 ( 4.844 -1.119 11.110) 12.172 14.217 ( 0.124 -5.568 2.954) 6.304 14.937 ( -8.474 9.753 10.368) 16.566 15.139 ( -1.878 8.992 -8.029) 12.200 15.476 ( -5.040 -3.331 5.217) 7.982 15.520 ( -0.007 1.273 -4.600) 4.773 15.764 ( -4.144 11.243 9.188) 15.100 16.128 ( -1.768 4.219 4.448) 6.380 16.394 ( 0.275 8.339 4.506) 9.482 16.797 ( 0.671 2.074 3.499) 4.123 16.918 ( 1.518 0.011 -4.772) 5.007 17.219 ( 0.640 -4.000 -5.850) 7.115 18.032 ( 3.757 -5.388 -3.614) 7.497 18.268 ( 2.813 -17.672 -3.334) 18.202 19.361 ( 5.674 3.542 0.091) 6.689 19.674 ( 5.145 -7.505 -1.966) 9.309 20.167 ( -10.937 -1.395 -1.381) 11.112 20.272 ( -8.486 -3.158 -0.964) 9.106 20.749 ( 4.279 4.532 3.787) 7.293 21.001 ( 5.351 -5.453 -2.616) 8.075 21.836 ( 0.755 3.279 -1.108) 3.543 21.966 ( 3.742 -1.105 -5.933) 7.101 22.917 ( -4.115 3.800 7.296) 9.198 22.972 ( -3.352 1.017 5.548) 6.561 23.527 ( 2.423 5.634 -2.546) 6.640 23.589 ( 4.284 3.942 -4.124) 7.134 25.938 ( -1.195 4.095 1.699) 4.592 26.098 ( 2.040 -0.876 0.998) 2.435 26.433 ( -4.752 -2.738 3.444) 6.476 26.522 ( -1.526 -4.756 -3.403) 6.044 ======================= Grid point 138 (72/100) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( -9.608 13.086 1.071) 16.270 2.813 ( 4.822 8.577 -2.273) 10.098 3.066 ( -6.800 9.173 3.333) 11.895 3.202 ( -2.314 4.023 -1.252) 4.807 3.341 ( -4.274 9.190 -6.289) 11.928 3.595 ( 7.906 11.332 -13.432) 19.270 3.776 ( 0.675 7.411 12.604) 14.636 4.158 ( -2.341 0.336 6.710) 7.114 4.267 ( 6.164 11.710 3.535) 13.698 4.406 ( 1.985 -0.347 -0.649) 2.117 4.579 ( -1.404 0.583 6.012) 6.202 4.734 ( 3.025 2.075 1.018) 3.807 4.928 ( -3.669 3.268 0.964) 5.007 5.039 ( 10.417 -3.088 -3.456) 11.402 5.071 ( -6.960 5.466 11.770) 14.726 5.188 ( -6.235 -6.113 4.090) 9.642 5.259 ( 2.152 -2.353 2.623) 4.129 5.370 ( 3.406 -3.488 0.748) 4.932 5.460 ( 6.469 1.193 -5.250) 8.417 5.611 ( -3.263 -1.912 -7.189) 8.123 5.648 ( -4.699 -4.884 -0.503) 6.796 5.743 ( 1.905 1.964 -3.683) 4.588 5.852 ( 2.121 -4.324 0.299) 4.825 5.913 ( -4.846 0.500 2.091) 5.302 5.994 ( 4.191 -6.378 -2.101) 7.916 6.196 ( -8.344 -5.284 4.433) 10.825 6.280 ( -0.237 -5.612 -5.974) 8.200 6.359 ( 1.901 3.792 -1.114) 4.385 6.471 ( 4.074 -8.144 -2.131) 9.352 6.593 ( -4.623 7.031 1.980) 8.644 6.657 ( 0.702 -4.725 -5.494) 7.280 6.713 ( -1.429 9.587 2.520) 10.015 6.885 ( -0.002 3.375 1.725) 3.790 7.066 ( 1.466 -5.429 -4.600) 7.265 7.159 ( 1.230 2.791 5.358) 6.165 7.313 ( -1.221 2.139 3.680) 4.428 7.520 ( 7.157 -1.099 -5.127) 8.872 7.657 ( -6.262 -1.178 3.076) 7.076 7.681 ( -0.547 0.386 -0.292) 0.731 7.743 ( 3.116 -2.718 0.809) 4.213 7.877 ( 2.439 0.181 5.483) 6.003 8.011 ( 2.341 2.258 5.670) 6.537 8.053 ( -1.978 9.163 -8.342) 12.548 8.315 ( 3.190 -6.198 3.723) 7.903 8.433 ( -8.705 -2.973 1.715) 9.357 8.499 ( -0.490 10.520 -4.031) 11.277 8.628 ( 1.134 -0.513 11.389) 11.457 8.725 ( -3.987 -5.904 1.058) 7.202 8.890 ( 11.478 -6.032 -7.444) 14.951 9.100 ( -9.051 1.961 -10.043) 13.661 9.205 ( -8.023 14.487 -1.218) 16.605 9.358 ( 0.599 7.446 2.951) 8.032 9.481 ( -0.945 9.196 5.603) 10.810 9.713 ( 4.767 8.544 -1.142) 9.850 9.759 ( -2.706 8.140 3.394) 9.225 9.882 ( 3.084 6.006 -4.445) 8.083 10.082 ( -3.207 1.585 9.383) 10.042 10.258 ( 0.165 -2.812 3.252) 4.302 10.410 ( 4.123 -4.157 0.649) 5.891 10.522 ( 0.623 3.955 -6.568) 7.692 10.664 ( -2.162 -3.855 11.177) 12.019 10.737 ( 1.352 3.864 -4.661) 6.203 10.909 ( 4.614 -3.988 3.957) 7.270 10.966 ( 6.038 -5.661 -4.520) 9.431 11.155 ( 5.290 -14.009 2.994) 15.271 11.426 ( -4.583 -14.035 7.302) 16.471 11.486 ( -2.738 -10.439 -8.192) 13.550 11.773 ( -9.856 -3.831 -12.325) 16.240 11.822 ( 1.032 -8.932 -1.593) 9.131 12.040 ( 3.700 -7.137 -5.424) 9.697 12.215 ( 0.014 -7.408 -8.063) 10.950 12.466 ( -0.588 -14.095 -13.050) 19.217 12.994 ( 8.165 2.039 5.322) 9.958 13.171 ( -7.035 7.837 3.389) 11.063 13.231 ( 3.788 7.118 4.464) 9.216 13.452 ( -2.439 -1.796 -10.503) 10.931 13.595 ( -0.843 -8.644 2.430) 9.019 13.728 ( 4.848 -9.731 -2.264) 11.105 14.050 ( 8.343 -4.329 7.478) 12.011 14.192 ( -4.267 -7.164 2.567) 8.724 14.803 ( -13.273 8.792 6.099) 17.049 15.124 ( 4.888 9.780 -3.943) 11.622 15.377 ( -7.990 -4.238 2.605) 9.412 15.545 ( 5.421 0.316 -2.477) 5.969 15.783 ( -1.600 12.270 10.091) 15.967 16.137 ( 0.166 7.093 0.981) 7.163 16.450 ( -0.478 5.289 10.250) 11.544 16.841 ( 1.907 1.648 2.163) 3.322 16.924 ( 3.039 0.028 -4.073) 5.082 17.155 ( -1.662 -3.348 -8.529) 9.312 18.103 ( 5.539 -7.833 -0.861) 9.632 18.208 ( -5.656 -14.554 -5.885) 16.687 19.481 ( 5.702 1.552 1.346) 6.060 19.589 ( -10.194 -0.907 -3.587) 10.844 20.110 ( -0.369 -4.673 1.229) 4.846 20.181 ( 3.166 -6.234 -1.980) 7.267 20.831 ( 1.450 4.285 4.560) 6.423 21.031 ( 1.240 -3.723 -4.527) 5.991 21.838 ( 0.025 3.016 -0.385) 3.040 21.973 ( 2.037 -1.345 -6.603) 7.040 22.901 ( -3.306 4.052 7.135) 8.847 22.952 ( -2.998 1.128 5.160) 6.073 23.548 ( 1.432 5.684 -1.543) 6.061 23.647 ( 5.222 2.572 -5.048) 7.704 25.951 ( 0.172 3.562 4.451) 5.703 26.123 ( 0.786 -1.569 -1.413) 2.253 26.370 ( -4.576 -0.678 3.124) 5.582 26.491 ( 0.872 -3.904 -2.853) 4.913 ======================= Grid point 139 (73/100) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( -10.070 19.818 5.221) 22.835 2.766 ( -8.812 27.956 2.776) 29.444 3.102 ( 11.335 6.859 -2.248) 13.438 3.331 ( 5.445 0.405 -1.206) 5.592 3.363 ( 15.189 2.837 0.887) 15.477 3.709 ( 13.816 7.704 -7.506) 17.510 3.896 ( 1.951 6.910 13.006) 14.857 4.081 ( -6.321 2.973 1.704) 7.190 4.362 ( 3.961 0.819 -2.616) 4.817 4.415 ( -0.903 4.529 -2.918) 5.463 4.580 ( -6.545 5.389 7.160) 11.097 4.790 ( 0.113 2.465 -0.758) 2.581 4.811 ( -5.340 2.730 -1.806) 6.263 5.030 ( -2.447 2.771 -2.636) 4.541 5.083 ( -4.830 -1.348 4.316) 6.616 5.205 ( 5.577 -2.764 3.425) 7.104 5.299 ( -5.999 -2.263 1.721) 6.639 5.405 ( 1.963 -1.898 -1.606) 3.168 5.468 ( -3.594 -2.377 1.600) 4.596 5.542 ( 3.352 -5.726 -3.969) 7.732 5.574 ( 0.694 0.393 -5.488) 5.546 5.725 ( -6.592 6.762 -0.431) 9.453 5.834 ( 2.980 -5.269 5.319) 8.058 5.896 ( -2.793 -5.031 -3.351) 6.658 6.066 ( 3.613 -2.780 -1.711) 4.869 6.110 ( -2.790 -7.278 7.930) 11.119 6.208 ( -1.753 -2.614 -3.053) 4.385 6.348 ( -2.372 0.253 -6.118) 6.567 6.517 ( 4.165 0.394 -0.438) 4.207 6.570 ( -3.492 -0.739 -2.613) 4.423 6.657 ( 3.767 -5.892 6.346) 9.443 6.723 ( 1.582 7.365 0.090) 7.533 6.951 ( 3.374 -2.402 3.059) 5.149 7.050 ( 2.100 -0.406 -5.684) 6.073 7.181 ( -1.143 3.500 0.854) 3.779 7.343 ( 2.629 0.899 1.409) 3.115 7.515 ( -7.698 -3.600 1.923) 8.713 7.611 ( 1.482 -4.149 -5.411) 6.978 7.684 ( 2.831 6.223 -5.007) 8.474 7.751 ( -4.829 -3.301 10.036) 11.616 7.935 ( -3.122 3.051 2.374) 4.969 7.989 ( 0.160 2.651 0.372) 2.682 8.031 ( -3.151 2.925 -1.016) 4.418 8.235 ( -5.072 6.932 -2.819) 9.040 8.411 ( -1.546 0.426 2.924) 3.335 8.533 ( 6.333 6.254 -3.998) 9.757 8.612 ( -2.602 -4.201 6.531) 8.190 8.784 ( -7.508 -3.202 6.761) 10.599 8.875 ( -1.415 1.435 -0.494) 2.074 8.998 ( -4.684 10.036 -0.033) 11.075 9.090 ( 10.003 -8.260 -5.908) 14.254 9.304 ( -5.523 4.303 -1.703) 7.205 9.560 ( 1.875 2.349 6.388) 7.060 9.681 ( -3.414 7.342 4.048) 9.053 9.875 ( 1.991 8.996 -4.892) 10.432 9.982 ( 17.538 6.778 -1.382) 18.854 10.068 ( -4.608 -3.362 10.288) 11.764 10.315 ( 1.553 2.800 -2.658) 4.161 10.475 ( 2.183 -0.710 -9.247) 9.528 10.533 ( 7.031 2.055 -1.265) 7.434 10.713 ( 1.935 -5.160 9.320) 10.827 10.812 ( 5.946 6.602 1.440) 9.001 11.003 ( 7.514 -0.163 -6.861) 10.176 11.094 ( 8.345 -6.578 -1.996) 10.812 11.262 ( -9.746 -17.296 1.251) 19.892 11.284 ( 2.427 -13.070 2.142) 13.465 11.487 ( -3.430 -1.904 -7.260) 8.252 11.551 ( 2.956 1.500 3.173) 4.588 11.826 ( -1.713 -12.666 0.789) 12.806 12.036 ( 0.082 -7.211 -9.290) 11.760 12.175 ( -0.380 -9.920 1.253) 10.006 12.368 ( 0.158 -16.674 -10.758) 19.844 12.914 ( -16.879 4.972 -0.823) 17.615 13.096 ( -3.460 2.968 1.210) 4.717 13.295 ( 1.379 1.672 1.058) 2.411 13.333 ( -6.720 0.211 0.689) 6.759 13.632 ( 3.936 -2.655 -3.764) 6.058 13.836 ( 7.870 -10.854 -2.497) 13.638 14.086 ( -3.493 -4.776 1.213) 6.040 14.211 ( -1.573 -7.202 -0.625) 7.398 14.639 ( -6.587 7.589 9.822) 14.052 15.165 ( -5.030 -0.260 7.600) 9.117 15.332 ( 5.702 4.669 -2.175) 7.684 15.648 ( 6.646 1.190 -1.143) 6.847 15.832 ( -0.557 12.228 7.958) 14.600 16.149 ( 1.836 8.693 -1.849) 9.075 16.491 ( -3.793 3.538 11.306) 12.439 16.835 ( -0.288 4.935 -7.782) 9.220 17.011 ( 5.858 -4.111 3.346) 7.900 17.076 ( 0.347 -2.708 -7.947) 8.403 18.022 ( -9.686 -7.413 -4.969) 13.171 18.185 ( 3.055 -10.915 0.584) 11.349 19.392 ( -8.308 1.489 -1.637) 8.598 19.514 ( -4.412 -3.109 3.555) 6.463 20.168 ( 8.989 -3.151 -0.856) 9.564 20.295 ( 8.116 -4.914 -1.619) 9.625 20.848 ( -3.057 3.047 2.929) 5.216 20.997 ( -0.848 -2.967 -5.207) 6.052 21.831 ( -0.560 2.493 -0.099) 2.557 21.948 ( 0.407 -1.150 -6.197) 6.316 22.904 ( -2.094 3.642 7.584) 8.670 22.942 ( -2.472 1.402 5.813) 6.470 23.553 ( 0.422 5.761 -1.923) 6.088 23.682 ( 3.879 1.833 -8.580) 9.593 25.987 ( -0.439 2.188 4.432) 4.962 26.115 ( 0.536 -0.985 -3.049) 3.249 26.334 ( -1.915 0.493 4.329) 4.759 26.515 ( 3.007 -4.659 -0.833) 5.607 ======================= Grid point 140 (74/100) ======================= q-point: (-0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( -1.265 21.357 9.788) 23.527 2.776 ( 1.774 32.479 17.746) 37.053 3.245 ( 8.099 5.111 -7.981) 12.466 3.436 ( 2.658 -3.629 2.261) 5.035 3.629 ( 13.817 1.488 -5.145) 14.818 3.941 ( -0.118 7.834 -2.048) 8.098 3.978 ( 14.391 0.650 3.980) 14.946 4.057 ( 1.117 4.558 7.659) 8.982 4.278 ( -12.006 5.910 2.519) 13.617 4.394 ( -0.697 3.660 1.196) 3.913 4.493 ( 4.310 7.440 -14.840) 17.151 4.713 ( -7.768 1.097 2.188) 8.144 4.751 ( -4.410 -2.141 0.080) 4.903 4.938 ( -0.261 2.485 -11.100) 11.378 5.055 ( -6.336 0.816 7.749) 10.042 5.100 ( -10.770 -0.177 0.781) 10.800 5.311 ( 0.604 -1.559 1.514) 2.256 5.393 ( -5.637 -3.894 -3.612) 7.746 5.410 ( -0.523 -6.441 -4.680) 7.978 5.509 ( 0.726 -1.545 1.528) 2.291 5.637 ( 4.615 -0.306 -3.666) 5.902 5.671 ( 1.123 2.844 0.581) 3.113 5.820 ( -3.166 -1.914 4.696) 5.978 5.873 ( -5.082 -2.966 2.710) 6.478 6.111 ( -1.709 -6.925 -1.389) 7.267 6.124 ( 6.011 1.305 -3.954) 7.313 6.226 ( 3.876 2.955 2.926) 5.685 6.342 ( 6.100 -2.631 0.959) 6.712 6.472 ( -4.381 3.927 -0.700) 5.925 6.610 ( 4.942 -9.697 -1.376) 10.971 6.735 ( -2.526 2.444 7.344) 8.142 6.777 ( 3.690 1.084 0.914) 3.954 6.977 ( 0.447 0.092 0.313) 0.553 7.112 ( 4.972 -2.743 -4.075) 6.989 7.161 ( 0.920 -1.376 -1.036) 1.952 7.349 ( -6.074 6.712 -3.026) 9.544 7.409 ( -0.363 -3.546 -0.758) 3.645 7.514 ( -6.091 3.383 -3.761) 7.918 7.719 ( -3.854 7.403 7.729) 11.376 7.749 ( 1.035 -6.519 7.557) 10.034 7.800 ( -6.873 -2.478 -7.971) 10.812 7.949 ( -3.287 7.145 0.733) 7.899 8.067 ( 4.118 12.077 2.889) 13.083 8.163 ( -2.046 0.621 -0.724) 2.258 8.394 ( -2.184 4.675 1.525) 5.381 8.489 ( 0.631 1.609 -11.533) 11.661 8.628 ( -4.902 -6.504 10.900) 13.606 8.818 ( 7.964 4.963 2.456) 9.700 8.883 ( 1.784 5.665 3.793) 7.047 9.070 ( 3.796 -0.456 1.871) 4.257 9.091 ( -4.634 0.107 -5.997) 7.579 9.229 ( -1.702 -4.292 -0.391) 4.633 9.643 ( 0.113 -3.779 11.272) 11.889 9.675 ( -2.755 7.424 6.817) 10.449 9.878 ( 6.543 0.780 -4.463) 7.959 10.097 ( 0.512 -6.739 9.159) 11.382 10.223 ( 0.923 10.944 -6.858) 12.949 10.266 ( 1.886 0.436 -6.666) 6.942 10.468 ( 7.084 3.665 -4.489) 9.153 10.610 ( 2.532 -0.936 -5.792) 6.390 10.775 ( -1.192 1.157 -4.192) 4.509 10.902 ( 6.581 -5.724 1.389) 8.832 11.075 ( -0.772 -7.669 -3.070) 8.297 11.089 ( 0.573 -2.217 1.533) 2.755 11.175 ( -4.193 -9.000 0.354) 9.935 11.349 ( 8.418 -9.020 -0.700) 12.358 11.578 ( 8.786 2.845 6.909) 11.534 11.636 ( -1.023 -0.402 1.759) 2.074 11.748 ( -4.542 -9.069 -5.851) 11.709 11.995 ( 6.276 -4.342 -7.541) 10.729 12.196 ( -1.241 -12.601 5.889) 13.964 12.352 ( 3.539 -19.598 -3.015) 20.142 12.645 ( -10.315 -0.804 -0.610) 10.364 12.971 ( -7.658 -2.096 -2.407) 8.296 13.179 ( -10.600 -0.011 1.341) 10.685 13.336 ( 2.469 -4.822 -1.502) 5.621 13.644 ( 1.668 2.761 -6.562) 7.312 13.910 ( 0.606 -4.267 -4.574) 6.285 14.036 ( -8.658 -0.331 -0.354) 8.671 14.073 ( -1.122 -5.682 -0.175) 5.794 14.736 ( 4.379 4.112 12.870) 14.203 15.150 ( -2.344 -4.154 12.249) 13.145 15.442 ( 5.439 8.110 -1.190) 9.837 15.723 ( 2.045 3.965 -1.681) 4.768 15.863 ( -0.727 9.485 4.008) 10.323 16.182 ( 3.271 7.412 -2.268) 8.413 16.474 ( -6.006 4.341 9.001) 11.659 16.755 ( -1.104 7.833 -9.642) 12.472 17.041 ( 1.317 -3.345 -4.302) 5.606 17.126 ( 3.188 -6.963 0.207) 7.661 17.874 ( -3.346 -1.407 1.066) 3.783 18.200 ( -0.998 -11.610 -1.324) 11.727 19.304 ( -1.393 0.449 1.059) 1.807 19.426 ( -6.600 -4.157 3.318) 8.477 20.365 ( 10.967 -2.281 -0.184) 11.203 20.430 ( 9.377 -2.230 -0.433) 9.648 20.764 ( -6.645 2.487 -1.049) 7.172 20.924 ( -4.247 -3.915 -4.903) 7.577 21.824 ( 0.230 2.132 -0.549) 2.213 21.911 ( 0.138 -0.609 -4.918) 4.958 22.930 ( -1.380 2.891 8.134) 8.742 22.944 ( -2.473 1.704 6.992) 7.610 23.536 ( -0.125 5.854 -3.192) 6.669 23.662 ( 1.940 2.432 -11.285) 11.705 25.991 ( -0.816 1.957 1.465) 2.577 26.092 ( -1.300 0.432 -2.426) 2.786 26.376 ( 1.841 -1.748 6.467) 6.947 26.566 ( 2.566 -5.913 0.100) 6.447 ======================= Grid point 141 (75/100) ======================= q-point: ( 0.00 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( 6.477 15.346 8.136) 18.537 3.193 ( -1.477 -11.943 0.447) 12.043 3.252 ( -12.550 5.744 5.630) 14.906 3.313 ( -7.675 -0.221 -2.223) 7.993 3.742 ( 2.581 10.491 3.907) 11.488 3.952 ( 0.974 -6.359 3.577) 7.361 4.225 ( -1.560 5.969 -1.588) 6.370 4.251 ( 8.014 5.571 -4.458) 10.730 4.277 ( -1.236 4.100 2.647) 5.034 4.467 ( -2.255 -7.610 3.658) 8.739 4.561 ( 1.239 3.789 -5.336) 6.661 4.588 ( -0.259 -0.893 -3.856) 3.966 4.649 ( -1.355 0.065 5.193) 5.367 4.771 ( -2.328 -6.895 -6.199) 9.560 5.026 ( 2.037 2.902 -9.631) 10.263 5.092 ( -3.227 0.885 -0.621) 3.404 5.214 ( -2.378 -0.749 -4.233) 4.913 5.236 ( -4.549 2.546 0.056) 5.213 5.366 ( -2.249 4.402 2.879) 5.720 5.485 ( 0.094 -8.213 2.668) 8.636 5.588 ( 8.079 2.840 -1.712) 8.733 5.763 ( 3.395 -1.256 2.319) 4.299 5.798 ( 1.320 2.677 -6.326) 6.995 5.935 ( 0.787 -2.018 -5.984) 6.364 6.037 ( 1.475 3.713 7.656) 8.636 6.209 ( 1.282 -4.054 -0.892) 4.345 6.309 ( -1.459 -5.188 1.509) 5.597 6.347 ( 5.720 -3.814 0.252) 6.879 6.486 ( 4.616 3.212 1.297) 5.771 6.540 ( 2.627 -2.566 1.246) 3.878 6.715 ( -5.292 3.900 1.755) 6.804 6.799 ( -0.099 -2.893 -4.328) 5.207 6.915 ( -4.349 -2.057 -1.256) 4.972 6.940 ( -3.054 -4.374 -2.875) 6.060 7.136 ( -2.119 2.502 -3.122) 4.528 7.222 ( -2.272 -5.925 -6.542) 9.114 7.590 ( 6.605 4.917 5.628) 9.973 7.615 ( 1.732 5.919 7.947) 10.059 7.693 ( 3.567 1.213 4.217) 5.655 7.767 ( 3.001 -3.166 4.970) 6.613 8.044 ( -9.343 4.610 -6.682) 12.377 8.079 ( 5.098 12.491 0.827) 13.517 8.123 ( -10.062 6.376 7.892) 14.289 8.289 ( -6.577 6.856 7.981) 12.408 8.502 ( 2.051 6.304 -1.372) 6.770 8.521 ( 0.364 -2.193 5.072) 5.538 8.550 ( 7.012 -2.639 6.486) 9.909 8.660 ( -11.379 -8.674 -1.718) 14.411 9.079 ( -0.360 4.767 0.965) 4.877 9.124 ( 0.157 1.594 1.626) 2.282 9.212 ( 11.765 6.803 -3.932) 14.147 9.236 ( 4.171 7.353 -7.694) 11.431 9.696 ( 4.869 -0.775 7.463) 8.945 9.792 ( -0.330 2.302 1.542) 2.790 9.908 ( -0.013 -6.001 1.309) 6.143 9.981 ( -6.067 -5.134 -6.173) 10.063 10.046 ( -0.412 -4.948 4.568) 6.747 10.247 ( -5.396 -15.161 -9.208) 18.541 10.321 ( -1.258 7.412 6.007) 9.623 10.590 ( -2.721 -9.977 2.519) 10.644 10.713 ( -5.089 -0.780 3.875) 6.443 10.852 ( -8.220 -6.721 3.332) 11.129 10.972 ( 2.878 9.144 4.344) 10.524 11.137 ( -0.349 2.559 -11.260) 11.552 11.162 ( 4.773 -1.774 1.323) 5.261 11.261 ( 6.324 -4.909 -8.506) 11.681 11.580 ( -9.811 5.828 10.993) 15.845 11.626 ( 0.654 3.787 -9.439) 10.191 11.746 ( 7.055 -5.653 -12.606) 15.512 11.838 ( -6.572 -16.059 7.698) 18.983 12.068 ( 12.252 2.471 -11.358) 16.888 12.198 ( 8.912 -9.589 -6.316) 14.535 12.643 ( 2.290 5.677 5.107) 7.971 12.770 ( 0.003 -6.818 1.689) 7.024 13.060 ( -0.984 2.981 -4.894) 5.814 13.168 ( 1.214 -7.920 -7.982) 11.310 13.780 ( 4.436 5.169 -6.611) 9.492 13.830 ( -1.094 -0.677 -6.024) 6.160 13.903 ( -9.038 3.302 6.852) 11.813 13.996 ( -0.020 -4.966 1.115) 5.090 15.030 ( 2.725 7.246 16.484) 18.211 15.160 ( 2.207 -5.971 17.090) 18.237 15.608 ( -0.530 6.935 -7.880) 10.511 15.713 ( -1.267 -3.260 -7.121) 7.934 16.027 ( -6.421 9.489 11.265) 16.068 16.174 ( -6.354 -5.306 11.207) 13.933 16.619 ( -2.912 11.241 0.272) 11.615 16.812 ( -2.337 -5.580 -2.935) 6.724 16.935 ( 4.057 3.801 -6.356) 8.444 17.054 ( 6.255 -5.848 -6.735) 10.894 17.901 ( 1.997 1.517 0.087) 2.510 17.985 ( 0.478 -6.896 -3.576) 7.783 19.311 ( -0.122 0.658 2.162) 2.263 19.338 ( 1.533 -2.084 0.900) 2.739 20.522 ( 6.831 1.224 2.701) 7.447 20.555 ( 5.299 -2.092 2.955) 6.418 20.659 ( -6.811 1.705 -3.738) 7.954 20.705 ( -6.347 -3.166 -4.623) 8.466 21.865 ( 1.633 1.483 -2.601) 3.410 21.887 ( 2.037 -0.847 -3.461) 4.104 22.980 ( -2.580 1.190 7.588) 8.103 22.988 ( -2.018 0.378 7.535) 7.809 23.605 ( 0.875 3.527 -5.517) 6.606 23.642 ( 1.200 -0.173 -7.898) 7.990 26.035 ( -0.189 2.233 0.318) 2.263 26.064 ( -0.478 -0.392 -1.401) 1.531 26.415 ( 0.027 0.890 3.693) 3.798 26.477 ( 0.063 -5.056 0.770) 5.115 ======================= Grid point 142 (76/100) ======================= q-point: ( 0.17 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( -11.878 0.993 -2.917) 12.271 3.018 ( -9.981 -1.471 6.657) 12.087 3.156 ( 4.785 9.779 9.462) 14.424 3.338 ( 1.199 -9.301 5.022) 10.638 3.755 ( -6.823 11.294 7.593) 15.224 3.915 ( -5.416 -1.817 -0.975) 5.795 4.086 ( -4.981 12.827 -6.538) 15.235 4.236 ( -4.598 5.937 1.973) 7.764 4.296 ( 0.110 0.676 -5.179) 5.224 4.393 ( -3.562 0.132 -0.494) 3.598 4.572 ( 1.624 4.680 -3.681) 6.172 4.611 ( 4.357 -2.726 0.245) 5.145 4.722 ( 4.232 -8.922 4.599) 10.893 4.765 ( -1.858 -6.487 0.709) 6.785 5.047 ( 0.328 -3.251 -0.325) 3.283 5.071 ( 4.592 -5.490 -1.749) 7.368 5.190 ( 2.812 5.192 2.472) 6.401 5.226 ( 4.770 4.086 0.780) 6.329 5.358 ( -1.195 4.933 1.817) 5.391 5.497 ( 1.774 -7.847 -2.564) 8.443 5.713 ( 5.100 2.384 -6.073) 8.281 5.749 ( 1.669 10.762 -6.828) 12.854 5.774 ( -0.853 0.530 -2.255) 2.468 5.940 ( 1.354 -6.989 -2.845) 7.666 6.096 ( -3.044 -2.202 4.268) 5.686 6.158 ( -1.407 -7.614 1.076) 7.818 6.338 ( 0.982 4.287 0.726) 4.458 6.404 ( 0.469 -2.125 -4.277) 4.799 6.540 ( -1.306 0.724 -4.887) 5.110 6.576 ( 3.680 -0.245 -0.896) 3.795 6.678 ( 0.174 4.531 1.805) 4.880 6.791 ( 2.765 -7.941 1.889) 8.618 6.884 ( 1.018 2.514 3.369) 4.325 6.950 ( 3.684 -4.798 2.187) 6.432 7.081 ( -1.171 2.146 -1.925) 3.111 7.163 ( 0.902 -4.697 -3.492) 5.922 7.669 ( -4.156 3.844 1.022) 5.752 7.696 ( 0.515 1.963 4.206) 4.670 7.776 ( -3.088 8.402 -2.577) 9.315 7.802 ( 2.197 6.199 5.890) 8.828 7.862 ( -9.433 -1.841 -2.728) 9.991 7.987 ( -0.656 -6.149 2.949) 6.851 8.125 ( -4.833 7.492 3.226) 9.481 8.190 ( -4.663 -2.872 7.461) 9.255 8.337 ( -7.061 11.036 4.219) 13.764 8.606 ( 0.078 -11.137 4.071) 11.859 8.695 ( 8.481 8.629 1.557) 12.199 8.778 ( 4.759 -0.795 2.166) 5.289 9.012 ( -3.284 7.838 -3.499) 9.190 9.118 ( -0.462 -1.951 -2.075) 2.885 9.291 ( 9.004 10.190 -5.908) 14.826 9.385 ( 12.064 6.891 -4.800) 14.699 9.742 ( -5.987 -1.981 -9.941) 11.773 9.816 ( 2.298 14.652 9.113) 17.407 9.866 ( 4.072 -5.463 0.882) 6.870 9.999 ( 3.813 -5.709 5.851) 9.020 10.050 ( -2.248 -8.256 6.883) 10.981 10.203 ( 2.277 -14.963 -1.776) 15.239 10.321 ( -5.556 5.558 2.810) 8.346 10.505 ( -8.634 -1.887 1.040) 8.899 10.660 ( -6.231 -4.588 5.938) 9.753 10.744 ( -5.820 -4.344 3.795) 8.194 10.816 ( -12.092 0.999 -0.522) 12.144 10.957 ( -9.131 -9.132 -6.651) 14.526 11.210 ( 1.361 12.941 2.693) 13.288 11.378 ( -3.016 0.405 3.097) 4.342 11.494 ( -1.412 -0.899 -4.196) 4.517 11.595 ( -0.004 -7.815 1.225) 7.911 11.785 ( 7.750 -6.395 -14.348) 17.516 11.822 ( 2.501 -11.208 -2.977) 11.864 12.224 ( 9.898 1.727 -9.186) 13.614 12.282 ( 9.725 -4.467 -5.281) 11.934 12.679 ( 1.328 3.134 -1.644) 3.780 12.792 ( 3.870 -8.252 -5.065) 10.427 13.136 ( 9.457 3.675 -1.014) 10.196 13.237 ( 9.320 -6.465 -1.939) 11.507 13.741 ( -3.812 1.016 -4.922) 6.307 13.769 ( -5.017 -2.463 -0.562) 5.618 13.876 ( 2.432 10.894 5.403) 12.401 14.045 ( 3.916 -6.789 2.100) 8.114 15.146 ( -2.667 8.663 14.918) 17.456 15.279 ( -2.128 -4.325 13.167) 14.022 15.508 ( -2.472 5.197 -9.554) 11.153 15.601 ( -3.546 -3.225 -9.755) 10.869 15.992 ( -6.931 9.613 12.778) 17.427 16.133 ( -7.180 -4.631 12.438) 15.090 16.571 ( -2.218 9.349 0.569) 9.625 16.741 ( -4.034 -7.716 0.998) 8.764 16.984 ( 6.296 7.589 -7.689) 12.504 17.120 ( 5.997 -5.734 -7.369) 11.097 17.937 ( 1.972 -1.239 -1.406) 2.721 17.987 ( 2.706 -6.255 -2.975) 7.437 19.348 ( 3.388 2.737 0.654) 4.404 19.417 ( 6.365 -4.559 0.259) 7.833 20.419 ( -13.788 -0.023 -1.402) 13.859 20.430 ( -11.839 -0.958 -2.389) 12.115 20.703 ( 7.369 3.505 1.909) 8.380 20.779 ( 8.534 -4.509 0.800) 9.685 21.879 ( 2.177 2.077 -3.082) 4.307 21.911 ( 3.374 -1.305 -4.088) 5.458 22.981 ( -3.195 1.577 7.213) 8.045 22.997 ( -2.868 0.007 6.905) 7.477 23.594 ( 2.024 3.101 -4.534) 5.854 23.620 ( 2.080 0.505 -6.015) 6.385 26.026 ( -0.914 2.645 -0.046) 2.799 26.058 ( 0.468 -0.513 -0.051) 0.696 26.426 ( -1.491 -0.113 2.865) 3.232 26.469 ( -1.153 -4.236 -0.163) 4.393 ======================= Grid point 143 (77/100) ======================= q-point: ( 0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( -1.242 5.869 0.542) 6.024 2.930 ( -2.986 0.500 5.914) 6.644 3.187 ( -8.727 2.719 3.679) 9.853 3.307 ( -8.358 -7.176 3.116) 11.448 3.704 ( -3.102 11.095 5.265) 12.666 3.833 ( -3.978 -0.047 4.759) 6.203 3.986 ( -0.863 17.266 -10.191) 20.068 4.164 ( -1.992 2.086 1.269) 3.151 4.300 ( 2.289 5.633 1.851) 6.356 4.385 ( 1.293 0.914 0.278) 1.608 4.567 ( 0.383 1.450 0.746) 1.675 4.668 ( -0.788 -7.246 -3.221) 7.969 4.762 ( 6.140 -2.072 4.986) 8.176 4.834 ( 4.052 -10.720 4.844) 12.442 5.061 ( -1.506 -2.865 6.574) 7.327 5.104 ( -2.072 -5.831 5.700) 8.413 5.276 ( 0.800 8.266 1.863) 8.511 5.374 ( 3.563 3.471 1.660) 5.244 5.413 ( 12.507 3.111 -1.248) 12.949 5.504 ( 1.153 -5.293 -2.625) 6.019 5.700 ( 0.199 5.465 -7.376) 9.182 5.706 ( 1.837 -1.432 -4.247) 4.844 5.788 ( 1.145 -4.619 -3.929) 6.171 5.883 ( -3.716 -7.703 -3.525) 9.251 6.058 ( -3.438 5.086 -0.675) 6.176 6.160 ( -0.926 -1.937 -0.135) 2.152 6.303 ( -3.292 -2.790 -2.797) 5.143 6.325 ( -2.233 -1.360 -7.015) 7.487 6.442 ( -2.545 2.798 -7.590) 8.480 6.583 ( -0.184 -7.695 -7.632) 10.839 6.781 ( 2.966 5.302 5.449) 8.161 6.837 ( 2.295 -0.518 5.196) 5.704 6.931 ( 0.355 5.558 1.281) 5.715 7.074 ( 2.891 3.582 2.006) 5.021 7.077 ( 2.194 -3.817 3.038) 5.349 7.213 ( 4.905 -3.871 -0.292) 6.255 7.559 ( -0.564 -1.575 -6.564) 6.774 7.572 ( -7.364 1.432 -4.673) 8.838 7.720 ( -4.363 3.709 -1.160) 5.843 7.802 ( -5.365 -0.518 6.017) 8.078 7.823 ( -0.721 1.211 8.029) 8.152 7.897 ( -4.859 -7.214 5.182) 10.125 8.203 ( 8.766 5.483 0.418) 10.348 8.312 ( 6.059 2.010 7.135) 9.574 8.342 ( 1.272 7.152 7.041) 10.117 8.566 ( -6.177 -8.497 2.634) 10.830 8.702 ( -3.693 3.132 -3.770) 6.137 8.720 ( -5.761 -0.833 -5.979) 8.344 8.943 ( -4.319 11.219 -1.057) 12.068 9.160 ( 3.333 -4.966 -1.137) 6.088 9.469 ( 11.172 9.349 -2.889) 14.851 9.550 ( 7.479 8.155 -1.611) 11.182 9.630 ( 1.736 8.785 -6.158) 10.867 9.879 ( -0.597 -3.441 -5.202) 6.266 9.936 ( 1.487 14.659 8.836) 17.181 10.005 ( -9.164 5.047 9.820) 14.349 10.111 ( -1.108 -1.126 6.545) 6.733 10.180 ( -3.393 -5.526 -4.862) 8.105 10.295 ( 5.722 -10.436 4.864) 12.857 10.385 ( -2.878 -2.934 5.015) 6.484 10.584 ( -8.082 -6.411 9.460) 13.997 10.683 ( -2.465 -3.200 -3.157) 5.127 10.695 ( -2.020 -4.385 4.158) 6.372 10.852 ( -0.414 -10.068 3.469) 10.657 11.153 ( -5.855 12.173 -7.075) 15.249 11.292 ( -7.417 3.587 10.058) 13.002 11.430 ( -1.578 -6.277 -10.474) 12.312 11.614 ( -2.626 -17.291 7.851) 19.170 11.785 ( 4.090 -1.649 -13.144) 13.864 11.861 ( 6.703 -9.186 -12.208) 16.684 12.246 ( 2.701 3.998 -15.695) 16.420 12.355 ( 1.842 -6.814 -12.465) 14.325 12.805 ( 13.726 4.680 2.650) 14.742 12.939 ( 15.761 -8.507 -0.381) 17.914 13.277 ( 5.434 5.483 1.228) 7.816 13.383 ( 6.474 -5.722 0.391) 8.650 13.619 ( -6.224 1.222 -3.590) 7.288 13.660 ( -6.412 -3.928 -0.282) 7.525 13.973 ( 2.994 8.889 3.899) 10.158 14.119 ( 1.145 -5.987 2.094) 6.445 15.137 ( -8.805 9.944 11.799) 17.766 15.262 ( -4.852 0.104 4.542) 6.647 15.420 ( -2.907 0.663 -4.031) 5.014 15.495 ( -0.045 -3.799 -8.789) 9.575 15.976 ( -4.747 9.934 13.005) 17.040 16.119 ( -4.126 -4.429 12.942) 14.288 16.561 ( -0.013 8.326 2.363) 8.655 16.711 ( -0.816 -7.206 3.524) 8.063 17.018 ( 3.516 6.953 -8.591) 11.598 17.138 ( 2.354 -5.036 -9.029) 10.603 17.958 ( 2.546 -1.301 -2.960) 4.115 18.017 ( 1.774 -7.966 -2.034) 8.411 19.438 ( 6.396 4.555 -0.378) 7.861 19.541 ( 6.799 -6.150 -0.966) 9.218 20.165 ( -11.988 1.168 -1.678) 12.161 20.208 ( -11.088 -3.077 -1.555) 11.612 20.832 ( 4.930 4.059 3.003) 7.057 20.910 ( 5.225 -4.174 1.062) 6.771 21.893 ( 1.841 2.646 -3.317) 4.626 21.937 ( 2.869 -1.872 -4.877) 5.960 22.970 ( -3.446 1.719 6.460) 7.521 22.985 ( -3.402 0.068 5.989) 6.888 23.611 ( 2.711 2.853 -3.206) 5.077 23.633 ( 3.303 0.558 -3.920) 5.156 26.014 ( -0.474 3.631 0.586) 3.708 26.071 ( 0.694 -2.130 0.318) 2.263 26.405 ( -2.494 0.171 1.826) 3.096 26.441 ( -1.350 -3.331 -0.777) 3.677 ======================= Grid point 144 (78/100) ======================= q-point: (-0.50 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( -1.287 12.545 1.291) 12.677 2.965 ( 6.331 7.049 3.018) 9.944 3.096 ( 3.131 -2.803 4.440) 6.114 3.160 ( -6.971 -7.327 0.163) 10.115 3.635 ( -7.699 15.839 2.343) 17.766 3.822 ( -3.513 0.318 8.240) 8.963 3.944 ( 4.355 15.082 -8.589) 17.894 4.153 ( -1.092 -2.517 -0.549) 2.798 4.351 ( 2.212 2.036 -2.557) 3.947 4.409 ( 2.252 -1.389 -1.846) 3.226 4.633 ( 1.708 3.060 8.369) 9.073 4.691 ( 3.247 -5.063 3.789) 7.109 4.890 ( -0.986 -4.236 5.929) 7.354 4.939 ( 6.466 -6.244 2.065) 9.223 5.079 ( -0.254 -0.326 5.144) 5.161 5.123 ( -0.420 -3.898 9.303) 10.096 5.268 ( -0.650 7.860 -2.016) 8.140 5.400 ( 0.639 -1.131 -3.094) 3.356 5.491 ( -1.673 4.252 0.675) 4.619 5.575 ( 3.559 1.562 -1.911) 4.331 5.649 ( -2.405 2.111 -4.720) 5.703 5.742 ( 1.397 -4.283 -2.104) 4.972 5.792 ( -2.261 -8.567 0.473) 8.873 5.796 ( 1.971 -2.138 -2.948) 4.141 5.959 ( -0.265 5.246 -4.536) 6.940 6.138 ( -3.272 -9.815 -5.154) 11.559 6.162 ( -4.944 1.980 -1.001) 5.419 6.275 ( -0.537 -9.176 -4.797) 10.368 6.396 ( 1.978 2.958 -5.487) 6.540 6.518 ( 0.992 -8.783 -8.972) 12.594 6.800 ( -2.456 11.308 4.597) 12.452 6.908 ( 0.119 7.669 1.862) 7.893 6.946 ( 0.056 2.366 3.465) 4.196 7.057 ( -3.013 4.999 -0.942) 5.912 7.134 ( 2.409 -5.587 2.753) 6.678 7.259 ( -1.606 -8.729 3.145) 9.417 7.487 ( 2.132 0.896 -9.513) 9.790 7.582 ( 2.436 -7.907 -3.076) 8.827 7.668 ( -4.475 2.697 1.799) 5.526 7.709 ( 3.907 0.623 -3.822) 5.501 7.930 ( 3.565 1.465 7.559) 8.485 7.985 ( 3.996 -4.914 8.830) 10.866 8.234 ( -0.055 7.585 1.884) 7.816 8.350 ( -7.052 -0.530 1.654) 7.262 8.407 ( 0.166 7.555 2.947) 8.111 8.550 ( -4.674 -3.271 -1.810) 5.986 8.620 ( 2.913 2.117 8.425) 9.163 8.722 ( 8.669 -4.355 0.563) 9.718 8.836 ( -6.083 10.153 -1.213) 11.897 9.070 ( -11.198 -8.208 -3.196) 14.247 9.483 ( -4.700 12.412 -7.864) 15.426 9.566 ( -5.425 7.604 -3.591) 10.007 9.719 ( 2.600 10.535 -1.037) 10.901 9.830 ( 5.662 -0.375 0.516) 5.698 9.873 ( -5.608 10.645 6.346) 13.603 10.013 ( -6.308 -3.859 6.414) 9.789 10.133 ( 2.131 -5.068 4.633) 7.189 10.188 ( 2.986 18.993 1.427) 19.279 10.349 ( 3.346 -10.435 4.834) 11.977 10.498 ( 2.954 0.178 7.023) 7.621 10.560 ( -3.494 -1.868 2.112) 4.490 10.639 ( 6.742 -20.415 0.414) 21.503 10.833 ( 10.130 -1.470 2.188) 10.467 10.933 ( 3.943 -9.318 4.167) 10.942 11.036 ( -0.449 12.241 -1.979) 12.408 11.215 ( -7.287 -3.046 5.509) 9.630 11.356 ( 0.551 -1.574 -5.333) 5.588 11.556 ( -6.618 -15.877 0.269) 17.203 11.771 ( 3.447 1.823 -11.427) 12.074 11.884 ( 5.464 -8.796 -10.491) 14.741 12.134 ( -1.328 0.627 -16.467) 16.533 12.227 ( -3.031 -8.850 -16.001) 18.535 13.079 ( 9.773 6.285 3.596) 12.163 13.199 ( 6.845 -4.583 0.908) 8.287 13.341 ( -0.609 4.073 4.462) 6.072 13.406 ( -5.134 -2.934 2.841) 6.560 13.518 ( 0.845 1.785 -4.832) 5.220 13.594 ( 2.498 -5.100 -3.482) 6.661 14.025 ( 1.835 1.718 2.255) 3.377 14.092 ( -3.677 -4.477 -0.297) 5.801 15.007 ( -13.838 11.115 9.227) 20.004 15.190 ( -10.887 -6.277 9.306) 15.637 15.381 ( 5.447 6.990 -6.549) 11.019 15.506 ( 6.559 -4.587 -4.852) 9.360 16.008 ( -2.260 10.409 12.638) 16.528 16.157 ( -2.057 -4.340 11.734) 12.679 16.598 ( 1.323 9.061 3.733) 9.889 16.760 ( 2.946 -7.261 4.090) 8.839 16.991 ( 1.196 4.871 -9.377) 10.634 17.084 ( -0.242 -4.302 -10.394) 11.252 17.986 ( 2.601 -3.423 -2.378) 4.913 18.004 ( -1.314 -5.783 -2.871) 6.588 19.523 ( 1.238 2.416 0.298) 2.731 19.564 ( -4.547 -1.752 -1.460) 5.087 20.052 ( 0.223 -0.930 -0.459) 1.061 20.080 ( 1.046 -3.672 -1.667) 4.166 20.906 ( 1.028 3.494 2.852) 4.627 20.968 ( 0.913 -3.056 0.139) 3.192 21.894 ( 0.723 2.679 -3.093) 4.155 21.940 ( 1.426 -2.076 -5.130) 5.715 22.956 ( -3.054 1.671 6.254) 7.157 22.968 ( -3.044 0.274 5.778) 6.536 23.636 ( 2.288 3.262 -2.785) 4.861 23.670 ( 3.585 -0.271 -4.015) 5.389 26.020 ( 0.217 3.478 1.564) 3.819 26.081 ( 0.528 -2.761 -0.584) 2.871 26.375 ( -2.134 1.331 1.699) 3.035 26.420 ( -0.268 -3.219 -0.588) 3.283 ======================= Grid point 145 (79/100) ======================= q-point: (-0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( -3.746 16.873 1.362) 17.337 3.082 ( -1.477 -5.028 1.367) 5.416 3.197 ( 14.286 8.795 -1.151) 16.816 3.313 ( 12.884 -2.353 2.946) 13.425 3.542 ( -2.607 16.668 4.168) 17.378 3.821 ( -3.216 -5.712 10.050) 11.998 3.998 ( 6.925 8.653 -6.757) 12.981 4.125 ( -0.187 -0.197 -2.485) 2.500 4.342 ( -0.884 3.371 -1.601) 3.835 4.446 ( 1.870 -3.719 0.426) 4.185 4.658 ( -5.723 1.339 6.241) 8.573 4.727 ( -3.032 -6.654 2.040) 7.591 4.858 ( -3.204 3.992 -0.834) 5.187 4.975 ( 0.584 -6.129 -8.454) 10.458 5.162 ( 5.483 3.300 4.038) 7.567 5.198 ( -4.475 6.688 12.437) 14.813 5.252 ( 2.423 -0.884 -2.975) 3.937 5.376 ( -1.316 -7.879 -5.895) 9.928 5.449 ( -9.491 4.077 2.111) 10.543 5.470 ( -0.480 2.791 -2.135) 3.546 5.623 ( -0.133 -5.857 -2.733) 6.465 5.660 ( -8.737 -10.462 -1.423) 13.704 5.727 ( 1.293 5.468 -1.390) 5.788 5.869 ( 3.169 -3.372 -1.081) 4.752 6.035 ( 5.258 3.127 1.879) 6.400 6.082 ( 4.910 0.838 -5.597) 7.492 6.146 ( 0.665 -1.968 3.852) 4.377 6.276 ( 3.298 -13.335 -1.749) 13.847 6.384 ( 0.343 3.470 -4.747) 5.890 6.489 ( 2.079 -6.450 -7.071) 9.794 6.811 ( 0.957 12.150 4.595) 13.025 6.896 ( -3.329 7.782 1.299) 8.564 6.946 ( -2.897 1.355 3.217) 4.536 7.022 ( 0.034 -4.787 1.368) 4.979 7.187 ( 0.943 -1.998 1.245) 2.536 7.254 ( 0.365 -7.157 1.232) 7.271 7.465 ( 3.309 -0.122 -10.776) 11.273 7.544 ( -1.187 -5.795 0.129) 5.916 7.676 ( -0.460 3.679 0.907) 3.817 7.760 ( 3.429 -1.374 -3.737) 5.255 7.989 ( -3.609 2.633 -2.972) 5.366 8.023 ( 2.412 -0.362 1.552) 2.891 8.206 ( -8.547 10.386 10.233) 16.900 8.366 ( 1.367 -4.831 4.539) 6.768 8.480 ( 0.806 3.256 -2.105) 3.960 8.483 ( 5.829 6.131 6.242) 10.513 8.647 ( -4.271 3.778 3.752) 6.827 8.778 ( -8.017 -0.186 10.060) 12.866 8.855 ( 0.142 -1.423 -1.386) 1.992 8.935 ( 9.592 -6.960 0.816) 11.879 9.285 ( -11.560 13.445 -1.516) 17.796 9.407 ( -6.189 2.677 -7.884) 10.374 9.657 ( -6.097 8.371 0.621) 10.374 9.821 ( -2.148 3.524 -0.377) 4.144 9.934 ( 1.287 1.837 1.161) 2.526 9.986 ( -6.719 -2.225 9.221) 11.624 10.146 ( -2.181 -2.703 6.290) 7.186 10.344 ( 14.121 15.980 1.434) 21.374 10.468 ( 3.294 -17.705 5.990) 18.979 10.520 ( -1.390 1.873 -1.312) 2.676 10.614 ( 7.679 0.128 -2.951) 8.227 10.752 ( 2.655 -12.261 -1.901) 12.688 10.915 ( 3.606 -2.372 -11.065) 11.877 11.030 ( 6.716 -6.985 -3.774) 10.399 11.118 ( -2.218 1.906 5.523) 6.250 11.137 ( 1.132 2.862 4.730) 5.643 11.431 ( 6.580 -1.356 2.466) 7.157 11.498 ( 5.676 -7.688 3.378) 10.135 11.756 ( 2.331 5.554 -4.903) 7.767 11.897 ( 3.670 -7.164 -11.305) 13.878 12.007 ( -2.723 -4.808 -7.270) 9.132 12.070 ( -2.035 -11.568 -13.418) 17.833 13.018 ( -15.788 5.129 -4.500) 17.199 13.095 ( -10.008 -2.520 -4.839) 11.399 13.306 ( -3.997 1.250 2.187) 4.724 13.337 ( -7.815 -1.050 3.809) 8.757 13.633 ( 9.821 1.867 -5.661) 11.489 13.690 ( 11.185 -4.597 -3.867) 12.696 14.046 ( -0.722 0.472 1.615) 1.831 14.097 ( 1.526 -4.511 2.577) 5.415 14.839 ( -10.549 11.517 10.983) 19.094 15.045 ( -11.005 -9.320 10.873) 18.061 15.494 ( 8.921 8.622 -2.476) 12.651 15.620 ( 7.967 -4.103 -2.044) 9.191 16.052 ( -2.511 9.999 10.584) 14.775 16.193 ( -2.434 -3.754 9.085) 10.127 16.639 ( 0.375 10.949 2.845) 11.319 16.839 ( 3.147 -7.508 -0.044) 8.141 16.954 ( 1.303 1.677 -6.892) 7.212 17.014 ( 1.181 -3.551 -9.215) 9.946 17.942 ( -2.871 -0.370 -2.777) 4.011 18.008 ( 1.271 -6.839 -1.805) 7.186 19.425 ( -8.111 1.924 -0.136) 8.337 19.465 ( -6.990 -2.227 1.583) 7.505 20.146 ( 10.348 0.966 -0.810) 10.424 20.201 ( 10.345 -4.354 -1.150) 11.282 20.902 ( -3.364 2.501 1.464) 4.440 20.947 ( -2.793 -2.296 -1.040) 3.763 21.878 ( -0.076 2.334 -2.621) 3.511 21.919 ( 0.241 -1.851 -4.599) 4.964 22.954 ( -2.280 1.448 6.709) 7.232 22.962 ( -2.411 0.452 6.310) 6.770 23.646 ( 1.352 3.703 -3.742) 5.435 23.691 ( 2.570 -0.948 -5.931) 6.533 26.035 ( -0.005 2.616 1.335) 2.937 26.083 ( 0.570 -2.236 -1.385) 2.691 26.362 ( -0.778 2.532 2.462) 3.616 26.428 ( 1.131 -4.160 0.514) 4.341 ======================= Grid point 146 (80/100) ======================= q-point: (-0.17 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( 0.479 19.572 1.883) 19.668 3.122 ( 4.025 -8.484 1.934) 9.588 3.341 ( 0.034 13.069 3.991) 13.665 3.443 ( -1.512 2.398 2.103) 3.529 3.651 ( 9.103 4.844 -2.623) 10.640 3.874 ( 1.191 -11.237 9.559) 14.801 4.094 ( 10.093 6.640 -6.282) 13.617 4.139 ( 5.620 2.781 -2.345) 6.694 4.311 ( -4.292 5.754 5.529) 9.061 4.454 ( -2.352 -4.871 5.095) 7.430 4.591 ( -1.394 1.114 -0.544) 1.865 4.649 ( -5.568 -6.454 0.507) 8.539 4.760 ( -6.032 6.124 -5.702) 10.316 4.896 ( -1.575 -6.546 -12.155) 13.895 5.122 ( -3.777 5.865 -9.598) 11.866 5.166 ( -6.765 6.779 3.742) 10.282 5.264 ( -0.509 -3.757 -2.093) 4.331 5.323 ( -5.197 1.825 1.162) 5.630 5.381 ( 4.891 -2.829 4.852) 7.447 5.437 ( -5.057 3.574 -2.149) 6.555 5.577 ( -2.115 -8.802 -3.544) 9.721 5.630 ( 4.312 -13.185 9.308) 16.705 5.779 ( 4.580 7.840 -3.813) 9.847 5.920 ( 3.732 -4.085 -0.194) 5.536 6.041 ( -1.827 8.132 -4.056) 9.270 6.161 ( 3.020 1.282 1.181) 3.487 6.232 ( 5.049 -0.914 2.109) 5.548 6.324 ( 1.265 -13.611 1.039) 13.710 6.392 ( 4.736 5.883 -1.995) 7.811 6.502 ( 2.549 -4.068 -2.054) 5.222 6.810 ( -6.455 3.710 1.448) 7.584 6.836 ( -1.368 3.286 -1.628) 3.915 6.950 ( 0.981 -0.949 3.320) 3.590 7.022 ( -2.148 -5.543 -1.537) 6.140 7.180 ( -1.113 2.740 -1.556) 3.341 7.274 ( 1.707 -6.477 -4.673) 8.167 7.473 ( 4.237 4.814 -3.222) 7.177 7.578 ( 1.157 -6.853 6.852) 9.759 7.626 ( -3.619 7.007 2.231) 8.196 7.745 ( -2.867 -4.509 0.206) 5.347 7.963 ( 3.962 11.791 1.545) 12.534 8.089 ( 4.396 -0.005 2.721) 5.170 8.199 ( -2.604 7.930 6.717) 10.714 8.333 ( -6.994 4.699 5.079) 9.838 8.421 ( 0.603 -1.131 -1.897) 2.290 8.522 ( -8.253 -4.091 1.084) 9.275 8.596 ( -1.621 13.332 3.157) 13.797 8.846 ( 0.188 -11.026 1.958) 11.200 8.958 ( 7.383 7.370 6.481) 12.281 9.062 ( 3.801 -1.850 1.945) 4.653 9.138 ( -1.662 8.257 -0.948) 8.476 9.263 ( -4.076 1.511 -4.783) 6.463 9.602 ( -0.234 4.197 3.806) 5.671 9.803 ( 0.632 1.379 -2.239) 2.705 9.910 ( -5.216 -0.092 6.420) 8.272 9.954 ( 0.294 -7.094 4.329) 8.316 10.139 ( -3.924 -1.315 3.799) 5.618 10.393 ( -6.780 5.904 -7.007) 11.398 10.442 ( -4.813 -14.407 -6.615) 16.568 10.627 ( -3.724 -11.210 -0.786) 11.838 10.700 ( 16.544 10.705 1.410) 19.755 10.762 ( 3.063 2.982 -1.512) 4.534 10.947 ( 8.719 -5.822 0.053) 10.485 10.985 ( -7.368 -11.123 0.210) 13.344 11.193 ( 3.596 2.813 -5.178) 6.903 11.215 ( 7.395 -1.226 0.336) 7.504 11.609 ( 3.858 1.070 -2.487) 4.713 11.639 ( 10.244 1.118 -0.193) 10.307 11.750 ( -6.461 6.856 -1.116) 9.486 11.922 ( -0.805 -9.924 -4.072) 10.758 11.935 ( 7.823 -4.553 -1.262) 9.139 12.039 ( 7.414 -11.968 -5.087) 14.969 12.705 ( -12.008 6.625 -3.522) 14.159 12.858 ( -10.303 -8.110 -3.943) 13.692 13.189 ( -8.214 1.356 -2.534) 8.702 13.240 ( -3.463 -4.040 -2.612) 5.928 13.733 ( 6.645 5.071 -6.664) 10.691 13.828 ( 6.803 -4.613 -5.766) 10.040 14.025 ( -5.275 0.674 3.168) 6.190 14.046 ( -7.234 -0.407 1.032) 7.319 14.862 ( 1.578 8.134 15.832) 17.869 15.024 ( -1.549 -8.032 15.527) 17.550 15.607 ( 4.962 7.763 -2.758) 9.617 15.719 ( 4.476 -3.528 -3.049) 6.464 16.056 ( -4.736 9.402 9.172) 13.963 16.197 ( -4.102 -4.546 8.634) 10.585 16.648 ( -0.818 12.084 0.929) 12.147 16.852 ( 0.997 -3.260 -5.390) 6.377 16.933 ( 1.198 -1.542 -5.015) 5.382 17.012 ( 3.666 -5.044 -5.830) 8.537 17.891 ( -0.815 3.308 -1.093) 3.578 18.004 ( 0.033 -8.322 -2.321) 8.639 19.324 ( -3.475 1.542 1.288) 4.014 19.363 ( -4.977 -2.575 1.884) 5.912 20.346 ( 11.367 0.557 0.461) 11.390 20.380 ( 10.358 -2.584 0.140) 10.676 20.810 ( -6.953 2.294 -1.117) 7.407 20.858 ( -6.150 -2.815 -2.431) 7.187 21.862 ( 0.488 1.817 -2.356) 3.015 21.893 ( 0.343 -1.290 -3.726) 3.958 22.968 ( -1.809 0.985 7.353) 7.636 22.970 ( -2.172 0.739 7.099) 7.461 23.631 ( 0.638 3.779 -5.097) 6.377 23.677 ( 1.399 -0.851 -7.778) 7.948 26.036 ( -0.238 2.521 0.268) 2.547 26.080 ( 0.013 -1.697 -1.408) 2.205 26.382 ( 0.475 2.395 3.541) 4.302 26.457 ( 1.212 -5.066 1.161) 5.336 ======================= Grid point 171 (81/100) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 10.110 0.000 -34.535) 35.985 2.523 ( -10.110 0.000 34.535) 35.985 2.777 ( 10.478 0.000 -41.493) 42.796 2.777 ( -10.478 0.000 41.493) 42.796 3.541 ( 8.631 0.000 -10.966) 13.955 3.541 ( -8.631 0.000 10.966) 13.955 3.837 ( 11.549 0.000 -4.787) 12.502 3.837 ( -11.549 0.000 4.787) 12.502 4.218 ( -9.602 0.000 -4.598) 10.646 4.218 ( 9.602 0.000 4.598) 10.646 4.400 ( 3.065 0.000 -7.853) 8.430 4.400 ( -3.065 0.000 7.853) 8.430 4.678 ( 1.560 0.000 -39.933) 39.963 4.678 ( -1.560 0.000 39.933) 39.963 4.871 ( 5.845 0.000 -3.105) 6.618 4.871 ( -5.845 0.000 3.105) 6.618 5.185 ( -10.883 0.000 0.726) 10.908 5.185 ( 10.883 0.000 -0.726) 10.908 5.422 ( -7.430 0.000 -11.544) 13.728 5.422 ( 7.430 0.000 11.544) 13.728 5.594 ( 1.690 0.000 -3.632) 4.006 5.594 ( -1.690 0.000 3.632) 4.006 5.813 ( -6.952 0.000 -8.330) 10.850 5.813 ( 6.952 0.000 8.330) 10.850 6.143 ( -3.437 0.000 -1.804) 3.881 6.143 ( 3.437 0.000 1.804) 3.881 6.360 ( 3.265 0.000 -8.933) 9.511 6.360 ( -3.265 0.000 8.933) 9.511 6.565 ( 4.793 0.000 -6.809) 8.327 6.565 ( -4.793 0.000 6.809) 8.327 6.845 ( -4.759 0.000 -0.603) 4.797 6.845 ( 4.759 0.000 0.603) 4.797 6.951 ( -2.034 0.000 -0.325) 2.059 6.951 ( 2.034 0.000 0.325) 2.059 7.343 ( -2.588 0.000 -1.070) 2.801 7.343 ( 2.588 0.000 1.070) 2.801 7.428 ( 5.704 0.000 -14.753) 15.817 7.428 ( -5.704 0.000 14.753) 15.817 7.854 ( -4.963 0.000 -7.180) 8.728 7.854 ( 4.963 0.000 7.180) 8.728 8.017 ( -5.021 0.000 0.685) 5.067 8.017 ( 5.021 0.000 -0.685) 5.067 8.204 ( -5.615 0.000 -2.206) 6.033 8.204 ( 5.615 0.000 2.206) 6.033 8.581 ( -9.840 0.000 1.173) 9.909 8.581 ( 9.840 0.000 -1.173) 9.909 8.831 ( -0.636 0.000 -1.438) 1.572 8.831 ( 0.636 0.000 1.438) 1.572 9.000 ( -8.322 0.000 -5.955) 10.233 9.000 ( 8.322 0.000 5.955) 10.233 9.142 ( -4.636 0.000 1.182) 4.784 9.142 ( 4.636 0.000 -1.182) 4.784 9.536 ( 0.435 0.000 -8.985) 8.996 9.536 ( -0.435 0.000 8.985) 8.996 9.717 ( 0.611 0.000 -7.530) 7.555 9.717 ( -0.611 0.000 7.530) 7.555 10.017 ( 11.978 0.000 -5.870) 13.339 10.017 ( -11.978 0.000 5.870) 13.339 10.441 ( -7.867 0.000 -3.460) 8.594 10.441 ( 7.867 0.000 3.460) 8.594 11.070 ( -3.197 0.000 -4.077) 5.181 11.070 ( 3.197 0.000 4.077) 5.181 11.114 ( -2.529 0.000 -3.174) 4.058 11.114 ( 2.529 0.000 3.174) 4.058 11.489 ( 2.476 0.000 -11.705) 11.964 11.489 ( -2.476 0.000 11.705) 11.964 12.074 ( -20.100 0.000 3.290) 20.367 12.074 ( 20.100 0.000 -3.290) 20.367 12.209 ( -10.441 0.000 -4.623) 11.418 12.209 ( 10.441 0.000 4.623) 11.418 12.775 ( -1.941 0.000 -1.130) 2.246 12.775 ( 1.941 0.000 1.130) 2.246 12.827 ( 8.566 0.000 -17.388) 19.383 12.827 ( -8.566 0.000 17.388) 19.383 13.172 ( -3.665 0.000 0.669) 3.726 13.172 ( 3.665 0.000 -0.669) 3.726 13.634 ( 10.595 0.000 -15.558) 18.823 13.634 ( -10.595 0.000 15.558) 18.823 14.520 ( -7.638 0.000 -16.886) 18.533 14.520 ( 7.638 0.000 16.886) 18.533 15.076 ( -7.217 0.000 1.595) 7.392 15.076 ( 7.217 0.000 -1.595) 7.392 15.379 ( 1.940 0.000 -3.524) 4.023 15.379 ( -1.940 0.000 3.524) 4.023 15.549 ( -1.558 0.000 -1.655) 2.273 15.549 ( 1.558 0.000 1.655) 2.273 15.998 ( -0.901 0.000 -5.945) 6.013 15.998 ( 0.901 0.000 5.945) 6.013 17.265 ( -7.096 0.000 -5.550) 9.008 17.265 ( 7.096 0.000 5.550) 9.008 18.570 ( -23.479 0.000 3.904) 23.802 18.570 ( 23.479 0.000 -3.904) 23.802 19.610 ( -13.615 0.000 -3.219) 13.990 19.610 ( 13.615 0.000 3.219) 13.990 20.401 ( 1.788 0.000 -1.195) 2.151 20.401 ( -1.788 0.000 1.195) 2.151 20.783 ( 16.488 0.000 -7.529) 18.125 20.783 ( -16.488 0.000 7.529) 18.125 21.815 ( 2.287 0.000 -2.783) 3.602 21.815 ( -2.287 0.000 2.783) 3.602 22.952 ( 4.931 0.000 -5.718) 7.551 22.952 ( -4.931 0.000 5.718) 7.551 23.151 ( -1.055 0.000 -5.315) 5.418 23.151 ( 1.055 0.000 5.315) 5.418 25.937 ( 5.223 0.000 -2.148) 5.648 25.937 ( -5.223 0.000 2.148) 5.648 26.873 ( -0.116 0.000 -1.487) 1.491 26.873 ( 0.116 0.000 1.487) 1.491 ======================= Grid point 173 (82/100) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( -5.054 0.000 -35.519) 35.877 2.469 ( 6.627 0.000 -23.530) 24.445 2.770 ( 4.039 0.000 22.509) 22.869 2.846 ( -0.513 0.000 14.743) 14.752 3.488 ( -10.700 0.000 13.601) 17.305 3.558 ( -5.059 0.000 -1.007) 5.158 3.665 ( -9.426 0.000 0.613) 9.446 3.939 ( 5.191 0.000 -9.129) 10.502 4.095 ( 10.160 0.000 -23.058) 25.197 4.235 ( -0.039 0.000 -17.200) 17.200 4.306 ( -8.418 0.000 -12.127) 14.762 4.494 ( 2.896 0.000 2.375) 3.745 4.569 ( 10.078 0.000 -12.513) 16.067 4.798 ( -4.270 0.000 3.585) 5.575 4.944 ( 4.856 0.000 -3.282) 5.861 5.013 ( 13.897 0.000 16.860) 21.850 5.115 ( -0.981 0.000 15.066) 15.098 5.224 ( -11.261 0.000 8.488) 14.102 5.458 ( 15.303 0.000 -2.506) 15.507 5.537 ( -8.712 0.000 19.480) 21.340 5.641 ( 6.271 0.000 2.194) 6.644 5.670 ( 5.384 0.000 -14.455) 15.425 5.728 ( 8.272 0.000 2.868) 8.755 6.015 ( 8.899 0.000 6.286) 10.895 6.094 ( 0.525 0.000 -3.128) 3.171 6.221 ( 4.521 0.000 -0.290) 4.530 6.314 ( -10.467 0.000 9.274) 13.984 6.362 ( 3.167 0.000 -5.101) 6.005 6.498 ( -7.288 0.000 9.201) 11.737 6.569 ( 2.707 0.000 -6.265) 6.825 6.725 ( -14.918 0.000 16.973) 22.597 6.872 ( -8.864 0.000 0.928) 8.912 6.907 ( 1.006 0.000 -8.063) 8.126 6.982 ( 6.772 0.000 0.468) 6.788 7.226 ( -8.565 0.000 -3.947) 9.431 7.276 ( -9.311 0.000 -0.560) 9.328 7.418 ( 4.663 0.000 -10.992) 11.940 7.479 ( 2.473 0.000 12.191) 12.439 7.753 ( -2.075 0.000 -4.200) 4.685 7.909 ( -2.106 0.000 -2.664) 3.396 8.057 ( -0.806 0.000 -0.940) 1.239 8.074 ( 7.943 0.000 6.682) 10.380 8.166 ( 4.963 0.000 -4.426) 6.650 8.299 ( -2.388 0.000 2.261) 3.288 8.388 ( -8.299 0.000 4.564) 9.471 8.679 ( -3.690 0.000 1.302) 3.913 8.775 ( -0.656 0.000 -9.244) 9.267 8.890 ( -4.303 0.000 0.890) 4.394 8.911 ( 4.579 0.000 -2.120) 5.046 8.984 ( 2.973 0.000 -11.264) 11.649 9.067 ( -5.999 0.000 9.753) 11.450 9.338 ( 3.495 0.000 23.198) 23.459 9.478 ( -4.320 0.000 -0.462) 4.344 9.625 ( 5.516 0.000 -9.363) 10.867 9.669 ( 0.712 0.000 6.139) 6.180 9.756 ( -5.597 0.000 14.455) 15.500 9.827 ( -4.634 0.000 -3.771) 5.974 10.056 ( -1.049 0.000 -7.803) 7.874 10.327 ( 0.149 0.000 -5.754) 5.755 10.593 ( 7.427 0.000 -1.888) 7.663 10.918 ( -9.685 0.000 -8.557) 12.924 11.089 ( -2.457 0.000 -2.095) 3.229 11.133 ( 6.620 0.000 0.320) 6.628 11.191 ( 4.643 0.000 -1.247) 4.808 11.418 ( -0.071 0.000 -13.166) 13.166 11.498 ( -5.261 0.000 10.687) 11.912 11.804 ( -13.493 0.000 3.579) 13.959 11.998 ( -9.710 0.000 -6.453) 11.659 12.353 ( 7.559 0.000 -6.251) 9.809 12.402 ( 5.641 0.000 5.977) 8.218 12.710 ( 0.755 0.000 -4.385) 4.449 12.784 ( -5.648 0.000 13.768) 14.882 12.791 ( 2.774 0.000 -8.380) 8.827 12.832 ( 6.100 0.000 -12.559) 13.962 13.094 ( -4.969 0.000 2.962) 5.785 13.138 ( -6.802 0.000 2.428) 7.222 13.671 ( -3.080 0.000 19.928) 20.165 13.875 ( 21.856 0.000 0.902) 21.875 14.238 ( -8.381 0.000 -19.949) 21.639 14.705 ( 3.285 0.000 9.988) 10.514 15.081 ( 3.980 0.000 4.645) 6.117 15.232 ( 6.161 0.000 0.964) 6.236 15.405 ( 2.382 0.000 -0.855) 2.531 15.411 ( 2.116 0.000 7.772) 8.055 15.517 ( -0.660 0.000 -1.223) 1.390 15.586 ( 0.415 0.000 3.018) 3.047 15.998 ( 5.819 0.000 -3.654) 6.871 16.084 ( 2.970 0.000 7.957) 8.493 17.107 ( -5.619 0.000 -6.352) 8.480 17.387 ( 0.838 0.000 1.843) 2.024 18.229 ( -9.858 0.000 -5.611) 11.343 18.911 ( 21.328 0.000 -14.514) 25.798 19.342 ( -13.877 0.000 -1.155) 13.925 19.806 ( 4.256 0.000 1.241) 4.434 20.380 ( -1.746 0.000 1.610) 2.375 20.419 ( 1.140 0.000 -1.589) 1.956 20.592 ( -8.663 0.000 10.574) 13.669 20.974 ( 11.229 0.000 -10.692) 15.505 21.814 ( -0.295 0.000 3.449) 3.462 21.846 ( 2.954 0.000 -2.477) 3.856 22.885 ( -6.453 0.000 6.595) 9.227 22.935 ( -0.205 0.000 -9.006) 9.009 23.180 ( 5.088 0.000 1.123) 5.210 23.243 ( 4.041 0.000 4.908) 6.358 25.887 ( -2.998 0.000 4.906) 5.750 26.027 ( 5.796 0.000 -0.782) 5.848 26.790 ( -8.617 0.000 -3.548) 9.319 26.793 ( -7.102 0.000 -0.562) 7.124 ======================= Grid point 174 (83/100) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 8.909 0.000 -25.981) 27.466 2.424 ( -0.342 0.000 -7.011) 7.019 2.986 ( 13.859 0.000 -9.716) 16.926 3.045 ( 6.717 0.000 13.416) 15.004 3.360 ( -16.802 0.000 5.496) 17.678 3.405 ( -6.687 0.000 20.689) 21.743 3.461 ( -15.121 0.000 6.913) 16.626 3.916 ( -2.545 0.000 -2.635) 3.663 4.014 ( 5.121 0.000 -36.583) 36.939 4.049 ( -6.309 0.000 -19.716) 20.701 4.303 ( 13.185 0.000 -9.668) 16.350 4.491 ( -4.734 0.000 4.871) 6.792 4.741 ( 9.804 0.000 5.716) 11.348 4.775 ( 1.985 0.000 -2.935) 3.543 5.004 ( 4.085 0.000 -0.339) 4.099 5.101 ( -5.639 0.000 1.490) 5.833 5.105 ( -3.259 0.000 8.981) 9.554 5.373 ( -1.642 0.000 5.449) 5.691 5.468 ( 1.409 0.000 3.775) 4.029 5.599 ( 3.717 0.000 -2.270) 4.356 5.763 ( 10.356 0.000 -0.947) 10.399 5.873 ( 12.838 0.000 1.485) 12.924 5.890 ( 9.669 0.000 -3.165) 10.173 6.087 ( 0.248 0.000 1.031) 1.060 6.169 ( -8.372 0.000 17.376) 19.287 6.225 ( 7.588 0.000 -3.242) 8.251 6.291 ( 3.215 0.000 -7.471) 8.134 6.404 ( 4.798 0.000 0.310) 4.808 6.460 ( -2.827 0.000 5.562) 6.239 6.533 ( -7.760 0.000 5.662) 9.606 6.630 ( -11.974 0.000 -6.352) 13.555 6.635 ( -8.396 0.000 12.225) 14.830 6.900 ( 3.275 0.000 0.384) 3.298 7.069 ( -3.609 0.000 -0.151) 3.612 7.112 ( -2.591 0.000 3.759) 4.566 7.166 ( 3.869 0.000 2.897) 4.834 7.428 ( 2.254 0.000 -7.331) 7.669 7.627 ( 1.779 0.000 9.001) 9.175 7.730 ( 1.188 0.000 0.381) 1.248 7.749 ( -13.828 0.000 -6.991) 15.495 7.993 ( -3.826 0.000 -4.532) 5.931 8.005 ( -10.599 0.000 0.320) 10.604 8.264 ( 6.451 0.000 -2.281) 6.842 8.333 ( 3.764 0.000 7.239) 8.159 8.442 ( 2.484 0.000 4.595) 5.224 8.533 ( -3.766 0.000 -4.723) 6.041 8.722 ( -2.054 0.000 -7.310) 7.593 8.791 ( 0.361 0.000 0.468) 0.591 8.927 ( -0.270 0.000 5.528) 5.534 9.000 ( -1.696 0.000 -2.507) 3.027 9.136 ( 2.837 0.000 5.729) 6.394 9.445 ( -4.248 0.000 8.128) 9.171 9.461 ( 1.582 0.000 11.709) 11.815 9.518 ( -1.091 0.000 -10.271) 10.329 9.649 ( -9.791 0.000 5.562) 11.260 9.889 ( 9.643 0.000 -5.816) 11.261 9.923 ( -1.158 0.000 9.512) 9.582 9.964 ( 7.350 0.000 -3.401) 8.099 10.384 ( 8.797 0.000 -3.662) 9.529 10.565 ( -10.374 0.000 -10.712) 14.912 10.720 ( 1.247 0.000 -4.459) 4.630 10.964 ( -8.333 0.000 -5.957) 10.243 11.241 ( 1.961 0.000 -0.987) 2.195 11.292 ( 4.653 0.000 2.682) 5.371 11.344 ( 6.170 0.000 -13.208) 14.578 11.461 ( -5.237 0.000 7.830) 9.420 11.633 ( -9.654 0.000 4.598) 10.693 11.739 ( -13.868 0.000 -6.272) 15.221 12.319 ( 0.207 0.000 -2.588) 2.596 12.447 ( -2.862 0.000 1.040) 3.045 12.703 ( -1.641 0.000 2.277) 2.807 12.764 ( 1.484 0.000 -9.491) 9.607 12.881 ( 6.365 0.000 -0.031) 6.365 12.888 ( 7.453 0.000 -8.617) 11.393 13.034 ( -3.478 0.000 1.515) 3.793 13.038 ( -8.003 0.000 9.461) 12.392 13.741 ( -2.752 0.000 16.003) 16.237 13.986 ( -4.898 0.000 -17.320) 18.000 14.329 ( 22.241 0.000 9.281) 24.099 14.790 ( -0.858 0.000 5.415) 5.482 15.189 ( 4.816 0.000 0.169) 4.819 15.270 ( -1.071 0.000 1.901) 2.182 15.447 ( 2.453 0.000 0.753) 2.566 15.497 ( 1.002 0.000 3.074) 3.233 15.516 ( 1.439 0.000 -0.962) 1.731 15.590 ( -3.175 0.000 4.888) 5.829 16.147 ( 8.968 0.000 2.781) 9.389 16.198 ( 2.940 0.000 8.012) 8.534 16.999 ( -2.104 0.000 -3.308) 3.920 17.243 ( -10.556 0.000 -10.456) 14.858 18.282 ( 14.495 0.000 3.139) 14.831 18.947 ( -7.779 0.000 -15.690) 17.512 19.282 ( 11.010 0.000 -1.801) 11.156 19.732 ( -11.232 0.000 0.530) 11.244 20.370 ( -0.574 0.000 2.283) 2.354 20.415 ( 0.064 0.000 -2.742) 2.743 20.681 ( 5.119 0.000 16.566) 17.339 21.011 ( 2.965 0.000 -14.230) 14.535 21.846 ( 0.752 0.000 3.575) 3.654 21.874 ( 2.071 0.000 -2.705) 3.407 22.835 ( -4.971 0.000 8.201) 9.590 22.867 ( 0.535 0.000 -9.702) 9.717 23.288 ( 3.776 0.000 4.884) 6.173 23.332 ( 3.309 0.000 0.706) 3.383 25.911 ( 0.695 0.000 8.538) 8.567 26.098 ( 1.889 0.000 -2.216) 2.912 26.582 ( -6.147 0.000 -10.485) 12.154 26.649 ( -9.180 0.000 2.109) 9.419 ======================= Grid point 175 (84/100) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 12.073 0.000 -5.276) 13.175 2.311 ( -12.073 0.000 5.276) 13.175 3.144 ( -2.888 0.000 -3.036) 4.190 3.144 ( 2.888 0.000 3.036) 4.190 3.203 ( 14.039 0.000 -7.430) 15.884 3.203 ( -14.039 0.000 7.430) 15.884 3.688 ( -11.020 0.000 -24.790) 27.129 3.688 ( 11.020 0.000 24.790) 27.129 3.922 ( 5.769 0.000 -16.617) 17.590 3.922 ( -5.769 0.000 16.617) 17.590 4.424 ( 9.186 0.000 -11.241) 14.517 4.424 ( -9.186 0.000 11.241) 14.517 4.823 ( 7.662 0.000 -11.900) 14.153 4.823 ( -7.662 0.000 11.900) 14.153 5.086 ( 6.607 0.000 -11.897) 13.608 5.086 ( -6.607 0.000 11.897) 13.608 5.170 ( -13.637 0.000 -2.612) 13.885 5.170 ( 13.637 0.000 2.612) 13.885 5.587 ( -2.934 0.000 -3.090) 4.261 5.587 ( 2.934 0.000 3.090) 4.261 5.903 ( 7.299 0.000 -2.690) 7.779 5.903 ( -7.299 0.000 2.690) 7.779 6.048 ( 10.107 0.000 -10.676) 14.701 6.048 ( -10.107 0.000 10.676) 14.701 6.255 ( -0.529 0.000 -2.771) 2.821 6.255 ( 0.529 0.000 2.771) 2.821 6.348 ( -8.279 0.000 -8.309) 11.729 6.348 ( 8.279 0.000 8.309) 11.729 6.453 ( 8.074 0.000 -17.485) 19.259 6.453 ( -8.074 0.000 17.485) 19.259 6.555 ( -3.754 0.000 -3.124) 4.884 6.555 ( 3.754 0.000 3.124) 4.884 7.034 ( 7.938 0.000 -5.298) 9.543 7.034 ( -7.938 0.000 5.298) 9.543 7.196 ( -10.680 0.000 -13.782) 17.435 7.196 ( 10.680 0.000 13.782) 17.435 7.384 ( 2.685 0.000 -5.435) 6.062 7.384 ( -2.685 0.000 5.435) 6.062 7.768 ( 0.901 0.000 -4.277) 4.371 7.768 ( -0.901 0.000 4.277) 4.371 7.907 ( 0.674 0.000 -3.396) 3.462 7.907 ( -0.674 0.000 3.396) 3.462 8.340 ( -2.973 0.000 -1.812) 3.482 8.340 ( 2.973 0.000 1.812) 3.482 8.481 ( 0.251 0.000 -5.636) 5.642 8.481 ( -0.251 0.000 5.636) 5.642 8.797 ( -4.102 0.000 -2.660) 4.889 8.797 ( 4.102 0.000 2.660) 4.889 8.915 ( 1.505 0.000 -9.260) 9.381 8.915 ( -1.505 0.000 9.260) 9.381 9.303 ( -9.893 0.000 -6.348) 11.754 9.303 ( 9.893 0.000 6.348) 11.754 9.530 ( 5.335 0.000 -2.460) 5.875 9.530 ( -5.335 0.000 2.460) 5.875 9.695 ( -9.704 0.000 -18.630) 21.006 9.695 ( 9.704 0.000 18.630) 21.006 10.027 ( 11.979 0.000 -12.639) 17.413 10.027 ( -11.979 0.000 12.639) 17.413 10.474 ( 0.657 0.000 -3.321) 3.385 10.474 ( -0.657 0.000 3.321) 3.385 10.768 ( -8.634 0.000 2.625) 9.024 10.768 ( 8.634 0.000 -2.625) 9.024 11.266 ( -0.885 0.000 -2.737) 2.877 11.266 ( 0.885 0.000 2.737) 2.877 11.455 ( 4.752 0.000 -7.159) 8.593 11.455 ( -4.752 0.000 7.159) 8.593 11.540 ( -0.510 0.000 -2.127) 2.188 11.540 ( 0.510 0.000 2.127) 2.188 12.368 ( -4.558 0.000 -1.293) 4.738 12.368 ( 4.558 0.000 1.293) 4.738 12.717 ( -0.159 0.000 -5.585) 5.587 12.717 ( 0.159 0.000 5.585) 5.587 12.930 ( 0.526 0.000 -0.564) 0.771 12.930 ( -0.526 0.000 0.564) 0.771 13.007 ( 1.595 0.000 -4.466) 4.742 13.007 ( -1.595 0.000 4.466) 4.742 13.826 ( -0.672 0.000 -14.993) 15.008 13.826 ( 0.672 0.000 14.993) 15.008 14.690 ( -12.320 0.000 -3.300) 12.754 14.690 ( 12.320 0.000 3.300) 12.754 15.247 ( 3.092 0.000 -2.302) 3.854 15.247 ( -3.092 0.000 2.302) 3.854 15.492 ( -1.627 0.000 -0.869) 1.845 15.492 ( 1.627 0.000 0.869) 1.845 15.552 ( 3.838 0.000 -2.879) 4.797 15.552 ( -3.838 0.000 2.879) 4.797 16.255 ( 1.319 0.000 -0.675) 1.482 16.255 ( -1.319 0.000 0.675) 1.482 17.027 ( -4.627 0.000 -7.253) 8.603 17.027 ( 4.627 0.000 7.253) 8.603 18.626 ( -16.449 0.000 -10.478) 19.503 18.626 ( 16.449 0.000 10.478) 19.503 19.505 ( -14.984 0.000 3.490) 15.385 19.505 ( 14.984 0.000 -3.490) 15.385 20.389 ( -0.344 0.000 -3.170) 3.188 20.389 ( 0.344 0.000 3.170) 3.188 20.891 ( -3.771 0.000 -16.713) 17.133 20.891 ( 3.771 0.000 16.713) 17.133 21.875 ( 0.364 0.000 -3.168) 3.189 21.875 ( -0.364 0.000 3.168) 3.189 22.828 ( 2.707 0.000 -9.230) 9.619 22.828 ( -2.707 0.000 9.230) 9.619 23.354 ( 0.163 0.000 -3.853) 3.856 23.354 ( -0.163 0.000 3.853) 3.856 26.024 ( -4.144 0.000 -9.031) 9.936 26.024 ( 4.144 0.000 9.031) 9.936 26.530 ( 6.318 0.000 -6.125) 8.800 26.530 ( -6.318 0.000 6.125) 8.800 ======================= Grid point 179 (85/100) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 5.462 5.811 -34.147) 35.066 2.537 ( -5.462 5.811 34.147) 35.066 2.979 ( -2.694 14.493 -38.511) 41.236 2.979 ( 2.694 14.493 38.511) 41.236 3.587 ( 4.994 4.553 -11.906) 13.690 3.587 ( -4.994 4.553 11.906) 13.690 3.771 ( -3.098 -4.862 -6.257) 8.508 3.771 ( 3.098 -4.862 6.257) 8.508 4.223 ( -9.694 2.920 -3.093) 10.586 4.223 ( 9.694 2.920 3.093) 10.586 4.529 ( -3.551 7.636 -3.072) 8.964 4.529 ( 3.551 7.636 3.072) 8.964 4.669 ( -5.226 1.590 -28.210) 28.734 4.669 ( 5.226 1.590 28.210) 28.734 4.978 ( 0.304 6.444 -4.924) 8.115 4.978 ( -0.304 6.444 4.924) 8.115 5.157 ( -5.154 -0.609 0.884) 5.265 5.157 ( 5.154 -0.609 -0.884) 5.265 5.497 ( -0.585 4.855 -10.006) 11.137 5.497 ( 0.585 4.855 10.006) 11.137 5.581 ( 5.532 1.617 -6.236) 8.491 5.581 ( -5.532 1.617 6.236) 8.491 5.867 ( -4.993 4.813 -9.995) 12.165 5.867 ( 4.993 4.813 9.995) 12.165 6.063 ( -1.635 -6.387 -5.896) 8.845 6.063 ( 1.635 -6.387 5.896) 8.845 6.381 ( 1.981 0.379 -2.749) 3.409 6.381 ( -1.981 0.379 2.749) 3.409 6.557 ( -1.190 -0.891 -7.632) 7.776 6.557 ( 1.190 -0.891 7.632) 7.776 6.761 ( -5.454 -3.588 -3.763) 7.535 6.761 ( 5.454 -3.588 3.763) 7.535 7.039 ( 1.323 5.439 -2.801) 6.259 7.039 ( -1.323 5.439 2.801) 6.259 7.276 ( 1.093 -5.873 -5.281) 7.974 7.276 ( -1.093 -5.873 5.281) 7.974 7.422 ( 1.709 -1.199 -9.342) 9.572 7.422 ( -1.709 -1.199 9.342) 9.572 7.764 ( -2.885 -8.061 -6.725) 10.887 7.764 ( 2.885 -8.061 6.725) 10.887 8.004 ( -6.487 -4.154 -2.705) 8.164 8.004 ( 6.487 -4.154 2.705) 8.164 8.120 ( -4.647 -4.869 -2.397) 7.145 8.120 ( 4.647 -4.869 2.397) 7.145 8.525 ( -9.103 -3.126 -1.214) 9.701 8.525 ( 9.103 -3.126 1.214) 9.701 8.779 ( 1.596 -3.595 -9.352) 10.146 8.779 ( -1.596 -3.595 9.352) 10.146 8.995 ( -3.137 -0.752 -5.275) 6.183 8.995 ( 3.137 -0.752 5.275) 6.183 9.267 ( 0.528 7.894 -10.837) 13.418 9.267 ( -0.528 7.894 10.837) 13.418 9.577 ( 0.845 2.044 -12.620) 12.812 9.577 ( -0.845 2.044 12.620) 12.812 9.793 ( 2.430 10.587 -13.934) 17.667 9.793 ( -2.430 10.587 13.934) 17.667 10.008 ( 3.840 -1.568 -4.690) 6.261 10.008 ( -3.840 -1.568 4.690) 6.261 10.433 ( -2.795 0.049 -6.421) 7.003 10.433 ( 2.795 0.049 6.421) 7.003 11.060 ( -4.702 -5.374 -7.541) 10.386 11.060 ( 4.702 -5.374 7.541) 10.386 11.108 ( -6.394 2.931 -6.458) 9.548 11.108 ( 6.394 2.931 6.458) 9.548 11.467 ( 2.188 -2.149 -10.940) 11.362 11.467 ( -2.188 -2.149 10.940) 11.362 11.920 ( -13.509 -10.768 -0.449) 17.281 11.920 ( 13.509 -10.768 0.449) 17.281 12.292 ( -13.166 2.003 -5.170) 14.286 12.292 ( 13.166 2.003 5.170) 14.286 12.601 ( -4.690 -11.882 -2.296) 12.979 12.601 ( 4.690 -11.882 2.296) 12.979 12.896 ( 3.768 2.895 -13.329) 14.150 12.896 ( -3.768 2.895 13.329) 14.150 13.205 ( -3.385 4.446 -7.321) 9.210 13.205 ( 3.385 4.446 7.321) 9.210 13.630 ( 3.864 -3.375 -10.173) 11.394 13.630 ( -3.864 -3.375 10.173) 11.394 14.473 ( -9.278 -6.452 -9.590) 14.822 14.473 ( 9.278 -6.452 9.590) 14.822 14.976 ( -5.431 -5.074 -5.216) 9.080 14.976 ( 5.431 -5.074 5.216) 9.080 15.426 ( 0.041 4.867 -4.009) 6.306 15.426 ( -0.041 4.867 4.009) 6.306 15.600 ( 0.412 5.865 -6.831) 9.013 15.600 ( -0.412 5.865 6.831) 9.013 16.162 ( -2.584 13.043 -2.884) 13.606 16.162 ( 2.584 13.043 2.884) 13.606 17.240 ( -6.005 -2.450 -5.334) 8.397 17.240 ( 6.005 -2.450 5.334) 8.397 18.469 ( -14.775 -9.586 -2.541) 17.794 18.469 ( 14.775 -9.586 2.541) 17.794 19.553 ( -11.349 -5.015 -1.702) 12.524 19.553 ( 11.349 -5.015 1.702) 12.524 20.437 ( -2.711 3.213 -0.782) 4.276 20.437 ( 2.711 3.213 0.782) 4.276 20.779 ( -9.300 -0.888 1.510) 9.463 20.779 ( 9.300 -0.888 -1.510) 9.463 21.817 ( 2.485 0.209 -3.361) 4.185 21.817 ( -2.485 0.209 3.361) 4.185 22.968 ( 3.616 1.629 -3.695) 5.421 22.968 ( -3.616 1.629 3.695) 5.421 23.215 ( -0.698 5.966 -2.676) 6.576 23.215 ( 0.698 5.966 2.676) 6.576 25.947 ( 0.950 1.033 -1.111) 1.790 25.947 ( -0.950 1.033 1.111) 1.790 26.813 ( -0.062 -5.684 -2.040) 6.040 26.813 ( 0.062 -5.684 2.040) 6.040 ======================= Grid point 181 (86/100) ======================= q-point: ( 0.17 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 8.647 4.720 -30.180) 31.747 2.516 ( -11.000 4.254 -33.871) 35.866 2.737 ( 4.292 3.168 16.807) 17.633 3.124 ( -5.908 20.707 20.346) 29.625 3.452 ( -12.043 0.261 10.561) 16.020 3.600 ( -8.408 -2.355 0.783) 8.767 3.687 ( -3.063 4.787 1.622) 5.910 3.941 ( 2.710 0.094 -2.623) 3.773 4.139 ( 11.168 3.957 -9.854) 15.410 4.329 ( -5.607 2.472 -6.944) 9.262 4.371 ( -0.953 9.792 -25.063) 26.925 4.479 ( 3.523 1.422 2.504) 4.550 4.620 ( 5.570 4.172 -8.246) 10.791 4.851 ( -6.051 4.480 3.693) 8.386 4.987 ( 10.426 6.403 1.740) 12.358 5.031 ( 4.601 -0.429 4.498) 6.449 5.183 ( 5.077 3.910 9.004) 11.052 5.285 ( -4.558 4.626 12.828) 14.378 5.513 ( 5.614 6.376 5.517) 10.130 5.545 ( 0.799 -1.090 5.982) 6.133 5.595 ( 6.533 -0.842 -0.936) 6.653 5.682 ( 0.072 2.570 -8.760) 9.130 5.750 ( 6.882 1.238 -0.410) 7.005 6.022 ( 2.528 -2.343 4.759) 5.876 6.038 ( 5.891 -3.072 -4.892) 8.251 6.170 ( 5.826 -3.092 3.373) 7.408 6.342 ( -9.654 0.034 7.126) 11.999 6.344 ( -4.264 -0.220 6.278) 7.592 6.524 ( 4.173 0.149 -10.246) 11.064 6.592 ( -4.817 4.281 0.372) 6.455 6.633 ( -3.496 -7.395 5.842) 10.052 6.817 ( -6.689 -0.308 12.401) 14.093 6.956 ( -5.756 2.011 -5.291) 8.073 7.033 ( 3.446 4.099 -3.094) 6.185 7.242 ( -1.928 -0.795 -4.560) 5.014 7.287 ( -3.206 -2.795 0.068) 4.254 7.370 ( -1.084 -4.332 -1.860) 4.838 7.423 ( -1.172 -0.359 5.001) 5.149 7.693 ( -1.336 -4.645 -1.822) 5.165 7.836 ( 0.635 -7.019 1.108) 7.134 8.007 ( 7.321 -6.254 3.900) 10.388 8.040 ( -0.986 -5.976 0.198) 6.060 8.103 ( -0.500 1.623 -3.342) 3.749 8.223 ( 4.073 -8.050 3.478) 9.669 8.422 ( -2.403 -0.031 0.401) 2.437 8.635 ( -1.561 -8.065 -8.360) 11.720 8.779 ( -1.921 -3.056 3.944) 5.346 8.791 ( 7.713 2.862 -1.638) 8.388 8.891 ( -2.408 -3.273 -0.049) 4.064 9.053 ( -0.603 4.640 -3.756) 6.000 9.143 ( -8.711 8.369 2.385) 12.313 9.303 ( -0.670 -3.630 9.697) 10.375 9.539 ( -4.703 4.441 -1.364) 6.611 9.610 ( -3.553 -1.152 -2.448) 4.466 9.742 ( 5.047 5.402 -0.328) 7.400 9.814 ( -3.994 6.849 11.757) 14.180 9.948 ( -1.717 10.074 1.824) 10.381 9.994 ( -2.124 -2.720 -3.069) 4.618 10.383 ( 1.092 4.240 -6.328) 7.695 10.599 ( 9.399 -2.925 1.639) 9.979 10.888 ( -12.316 -1.843 -4.263) 13.163 10.963 ( -1.831 -7.268 -8.588) 11.399 11.183 ( 1.170 1.991 2.479) 3.388 11.215 ( 5.298 1.291 3.376) 6.414 11.377 ( -1.953 -3.966 -11.646) 12.457 11.456 ( -6.601 -4.250 8.530) 11.593 11.727 ( -6.792 -5.280 -1.286) 8.698 12.023 ( -9.703 0.434 -7.097) 12.029 12.158 ( 9.542 -12.780 0.054) 15.949 12.446 ( -8.373 -10.058 -2.065) 13.249 12.566 ( 9.615 -2.788 -2.263) 10.264 12.692 ( 6.206 -7.237 2.528) 9.864 12.854 ( -0.951 3.330 -3.984) 5.279 12.930 ( 0.252 4.739 4.446) 6.503 13.097 ( -2.712 4.237 -5.327) 7.327 13.240 ( -2.935 6.535 0.815) 7.210 13.662 ( 0.747 -2.070 13.160) 13.343 13.814 ( 16.195 -6.518 3.319) 17.770 14.238 ( -8.649 -0.581 -11.640) 14.513 14.678 ( 6.386 -7.972 7.466) 12.652 14.890 ( 0.297 -9.717 -0.780) 9.753 15.113 ( 4.222 -10.920 4.021) 12.379 15.398 ( -0.486 3.304 -2.082) 3.936 15.449 ( -0.879 4.770 4.910) 6.901 15.572 ( 1.452 6.612 -6.356) 9.285 15.640 ( -1.714 5.287 7.447) 9.292 16.157 ( 3.309 11.994 3.202) 12.847 16.289 ( 7.142 15.352 4.306) 17.471 17.091 ( -5.794 -1.619 -4.936) 7.782 17.353 ( 1.224 -3.322 1.129) 3.717 18.175 ( -7.200 -5.120 -6.454) 10.941 18.774 ( 17.262 -13.089 -10.114) 23.908 19.321 ( -11.047 -1.287 0.556) 11.136 19.764 ( 8.776 -4.912 -2.846) 10.453 20.386 ( -2.692 0.665 1.114) 2.988 20.440 ( -6.436 1.649 0.198) 6.647 20.598 ( -3.445 0.854 7.621) 8.407 20.972 ( 9.527 -0.744 -6.818) 11.739 21.810 ( -0.669 -0.154 3.648) 3.712 21.849 ( 3.128 0.256 -3.057) 4.382 22.910 ( -4.999 2.545 3.783) 6.766 22.958 ( -0.310 1.953 -6.527) 6.820 23.243 ( 3.320 5.972 3.328) 7.600 23.286 ( 3.874 4.198 2.959) 6.433 25.900 ( -2.658 1.318 4.375) 5.286 26.034 ( 5.415 0.612 -0.480) 5.470 26.726 ( -6.615 -5.465 -5.335) 10.104 26.757 ( -6.710 -3.989 0.821) 7.849 ======================= Grid point 182 (87/100) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 7.298 4.807 -24.245) 25.771 2.442 ( 4.321 2.656 -12.768) 13.739 2.881 ( 9.792 -4.998 -5.117) 12.126 3.166 ( -2.077 7.360 1.741) 7.843 3.286 ( -15.601 -1.513 13.648) 20.783 3.467 ( -20.968 0.555 4.112) 21.375 3.572 ( 1.910 12.356 17.885) 21.822 3.905 ( -1.343 0.631 1.232) 1.929 4.091 ( -0.027 5.983 -26.003) 26.682 4.200 ( -6.901 11.878 -12.929) 18.864 4.394 ( 15.112 7.328 -9.436) 19.264 4.542 ( -1.087 5.655 4.420) 7.259 4.681 ( 4.522 -1.961 1.182) 5.068 4.795 ( -1.855 1.914 0.316) 2.684 5.042 ( 0.442 1.618 5.171) 5.436 5.124 ( 6.473 5.898 -8.415) 12.145 5.255 ( -6.760 8.138 12.416) 16.312 5.382 ( -1.513 1.221 2.513) 3.177 5.487 ( 0.748 2.011 0.997) 2.366 5.611 ( 2.083 0.549 -1.967) 2.917 5.738 ( 13.468 -2.254 -0.867) 13.683 5.792 ( 7.322 -3.947 -1.988) 8.553 5.923 ( 7.198 -1.085 1.037) 7.353 6.072 ( 5.801 -2.002 2.237) 6.532 6.164 ( 9.245 -4.167 -6.361) 11.971 6.208 ( -12.172 2.196 14.809) 19.294 6.275 ( 3.381 -2.231 -3.453) 5.323 6.325 ( -3.620 -3.693 5.645) 7.656 6.468 ( 2.599 2.190 -4.604) 5.723 6.552 ( -1.503 -0.640 -1.778) 2.414 6.632 ( -2.096 0.477 -1.705) 2.743 6.722 ( -14.139 8.066 14.985) 22.125 6.868 ( 0.815 -2.805 4.148) 5.074 7.120 ( -5.308 3.353 -2.056) 6.606 7.133 ( -0.373 0.938 -0.734) 1.249 7.214 ( 4.806 5.504 3.102) 7.938 7.322 ( -2.248 -6.156 -5.702) 8.687 7.549 ( 6.756 -8.262 9.146) 14.056 7.696 ( 0.620 0.547 0.524) 0.979 7.863 ( 2.465 -0.141 -3.617) 4.380 7.926 ( -13.109 5.167 -4.013) 14.651 8.036 ( -8.120 -2.228 0.837) 8.462 8.127 ( 6.971 -8.780 1.946) 11.378 8.297 ( -0.241 -9.784 3.988) 10.568 8.440 ( 3.320 4.174 2.552) 5.913 8.496 ( -2.538 -4.663 -8.089) 9.675 8.712 ( -2.919 -0.630 -2.858) 4.133 8.847 ( 1.556 2.446 -2.794) 4.026 8.918 ( -3.693 0.409 7.203) 8.105 9.041 ( -2.570 4.213 -2.201) 5.404 9.120 ( 8.607 -2.114 4.483) 9.932 9.342 ( -0.461 -6.814 -1.048) 6.909 9.427 ( -1.086 0.757 2.789) 3.087 9.594 ( 2.122 4.099 0.547) 4.648 9.732 ( -9.833 2.713 1.501) 10.311 9.865 ( 6.194 0.483 2.277) 6.617 9.913 ( -4.224 -0.124 -0.577) 4.266 10.075 ( 6.896 10.282 6.288) 13.885 10.336 ( -3.852 -2.395 -1.697) 4.843 10.618 ( -8.563 -3.827 -5.592) 10.920 10.732 ( 2.299 2.999 -7.776) 8.645 10.808 ( -8.152 -7.503 -3.735) 11.692 11.200 ( 3.342 -7.251 -3.044) 8.545 11.314 ( 3.655 2.262 -4.396) 6.148 11.337 ( 0.850 2.211 1.681) 2.905 11.379 ( -4.815 -8.375 7.404) 12.171 11.652 ( -1.521 2.722 -2.101) 3.760 11.802 ( -10.145 1.749 -7.029) 12.465 12.207 ( 1.405 -9.717 -2.327) 10.091 12.367 ( -3.261 -7.378 0.848) 8.111 12.627 ( 5.490 -7.173 -5.790) 10.729 12.789 ( -4.790 -2.883 2.793) 6.250 12.850 ( 6.019 -0.197 1.248) 6.150 12.982 ( 4.605 4.283 -3.765) 7.330 13.019 ( -4.687 6.911 2.775) 8.799 13.165 ( -3.989 7.291 -2.644) 8.722 13.749 ( 0.399 0.270 10.447) 10.458 14.021 ( -6.934 2.725 -10.609) 12.964 14.226 ( 21.467 -8.808 10.550) 25.490 14.756 ( -2.666 -5.160 3.355) 6.708 14.973 ( 7.076 -19.326 1.230) 20.618 15.157 ( -0.969 -16.088 0.428) 16.123 15.390 ( 0.941 1.640 -0.426) 1.938 15.459 ( -1.622 4.309 2.990) 5.490 15.563 ( 2.507 5.846 -5.493) 8.405 15.628 ( -4.477 4.327 5.864) 8.553 16.296 ( 6.314 11.508 8.176) 15.464 16.426 ( 3.918 14.818 3.208) 15.659 16.992 ( -2.231 -0.552 -0.892) 2.466 17.236 ( -8.801 -0.900 -9.790) 13.195 18.233 ( 13.546 -4.799 2.312) 14.556 18.817 ( -4.399 -12.470 -13.300) 18.755 19.287 ( 8.107 0.941 0.757) 8.196 19.739 ( -8.728 -0.368 -3.378) 9.366 20.355 ( -0.482 -5.497 -0.300) 5.526 20.365 ( -1.643 -0.599 2.198) 2.808 20.706 ( 5.150 2.552 11.857) 13.176 21.005 ( 1.305 -0.790 -10.429) 10.540 21.839 ( 0.418 -0.422 4.372) 4.412 21.874 ( 2.230 -0.005 -3.730) 4.346 22.865 ( -3.617 2.957 5.365) 7.114 22.900 ( -0.227 2.822 -7.201) 7.738 23.334 ( 2.389 4.482 6.022) 7.878 23.364 ( 3.443 3.212 -0.332) 4.720 25.925 ( 0.885 1.341 7.793) 7.957 26.100 ( 1.710 0.140 -2.092) 2.706 26.551 ( -4.474 -2.893 -9.946) 11.283 26.627 ( -8.620 -2.244 2.300) 9.200 ======================= Grid point 183 (88/100) ======================= q-point: (-0.50 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( -0.056 4.239 -0.965) 4.347 2.349 ( 0.056 4.239 0.965) 4.347 3.079 ( 12.858 -6.010 -13.552) 19.625 3.079 ( -12.858 -6.010 13.552) 19.625 3.178 ( 1.967 0.180 -11.920) 12.082 3.178 ( -1.967 0.180 11.920) 12.082 3.834 ( -6.074 11.532 -19.581) 23.523 3.834 ( 6.074 11.532 19.581) 23.523 4.004 ( -0.434 8.641 -11.814) 14.643 4.004 ( 0.434 8.641 11.814) 14.643 4.517 ( 7.539 8.690 -10.596) 15.641 4.517 ( -7.539 8.690 10.596) 15.641 4.755 ( -0.979 -3.993 -5.120) 6.567 4.755 ( 0.979 -3.993 5.120) 6.567 5.146 ( -5.315 2.347 0.030) 5.810 5.146 ( 5.315 2.347 -0.030) 5.810 5.242 ( 0.920 7.281 -10.490) 12.802 5.242 ( -0.920 7.281 10.490) 12.802 5.586 ( -3.070 0.061 -2.714) 4.098 5.586 ( 3.070 0.061 2.714) 4.098 5.865 ( -2.586 -4.749 -2.317) 5.883 5.865 ( 2.586 -4.749 2.317) 5.883 6.025 ( 12.869 -1.207 -7.587) 14.988 6.025 ( -12.869 -1.207 7.587) 14.988 6.257 ( -0.052 -1.224 -2.785) 3.042 6.257 ( 0.052 -1.224 2.785) 3.042 6.271 ( -0.738 -4.559 -7.745) 9.017 6.271 ( 0.738 -4.559 7.745) 9.017 6.515 ( 4.710 2.424 -9.075) 10.508 6.515 ( -4.710 2.424 9.075) 10.508 6.594 ( 4.513 5.784 -7.586) 10.553 6.594 ( -4.513 5.784 7.586) 10.553 7.001 ( -7.392 -3.839 -1.325) 8.434 7.001 ( 7.392 -3.839 1.325) 8.434 7.179 ( -4.050 1.025 -6.496) 7.724 7.179 ( 4.050 1.025 6.496) 7.724 7.491 ( -13.996 7.858 -7.479) 17.708 7.491 ( 13.996 7.858 7.479) 17.708 7.729 ( -4.958 -4.075 -6.968) 9.472 7.729 ( 4.958 -4.075 6.968) 9.472 7.911 ( 7.084 2.053 -6.332) 9.721 7.911 ( -7.084 2.053 6.332) 9.721 8.253 ( -1.748 -8.907 -5.185) 10.453 8.253 ( 1.748 -8.907 5.185) 10.453 8.457 ( 3.348 -0.796 -6.557) 7.406 8.457 ( -3.348 -0.796 6.557) 7.406 8.780 ( -7.669 -1.714 -0.973) 7.918 8.780 ( 7.669 -1.714 0.973) 7.918 8.947 ( -4.524 3.092 -4.290) 6.959 8.947 ( 4.524 3.092 4.290) 6.959 9.295 ( -6.314 -0.431 -1.670) 6.545 9.295 ( 6.314 -0.431 1.670) 6.545 9.538 ( -10.012 -1.814 -2.257) 10.423 9.538 ( 10.012 -1.814 2.257) 10.423 9.731 ( -9.359 3.083 -7.216) 12.213 9.731 ( 9.359 3.083 7.216) 12.213 10.037 ( 3.804 0.036 -17.773) 18.176 10.037 ( -3.804 0.036 17.773) 18.176 10.411 ( -8.965 -2.421 -8.054) 12.292 10.411 ( 8.965 -2.421 8.054) 12.292 10.725 ( 2.955 -2.039 -9.247) 9.919 10.725 ( -2.955 -2.039 9.247) 9.919 11.263 ( 7.827 -10.041 -9.218) 15.718 11.263 ( -7.827 -10.041 9.218) 15.718 11.383 ( -0.793 5.317 -2.241) 5.824 11.383 ( 0.793 5.317 2.241) 5.824 11.643 ( -2.387 3.512 -0.494) 4.275 11.643 ( 2.387 3.512 0.494) 4.275 12.274 ( -4.797 -6.999 -1.987) 8.715 12.274 ( 4.797 -6.999 1.987) 8.715 12.708 ( 3.942 -5.709 -8.158) 10.709 12.708 ( -3.942 -5.709 8.158) 10.709 12.934 ( 4.159 3.630 -3.942) 6.783 12.934 ( -4.159 3.630 3.942) 6.783 13.076 ( 0.927 5.657 -7.135) 9.153 13.076 ( -0.927 5.657 7.135) 9.153 13.853 ( -0.502 2.301 -13.537) 13.740 13.853 ( 0.502 2.301 13.537) 13.740 14.607 ( -13.683 -7.769 -5.521) 16.675 14.607 ( 13.683 -7.769 5.521) 16.675 15.097 ( -2.016 -19.046 -4.071) 19.581 15.097 ( 2.016 -19.046 4.071) 19.581 15.426 ( -2.611 2.813 -0.418) 3.861 15.426 ( 2.611 2.813 0.418) 3.861 15.586 ( 3.878 4.476 -6.167) 8.550 15.586 ( -3.878 4.476 6.167) 8.550 16.433 ( -2.216 12.221 -5.290) 13.499 16.433 ( 2.216 12.221 5.290) 13.499 17.035 ( -4.259 0.700 -8.994) 9.976 17.035 ( 4.259 0.700 8.994) 9.976 18.548 ( -14.718 -7.783 -9.685) 19.261 18.548 ( 14.718 -7.783 9.685) 19.261 19.506 ( -12.694 0.099 -1.028) 12.736 19.506 ( 12.694 0.099 1.028) 12.736 20.359 ( 1.332 -3.230 -2.669) 4.397 20.359 ( -1.332 -3.230 2.669) 4.397 20.889 ( -2.827 0.032 -14.894) 15.160 20.889 ( 2.827 0.032 14.894) 15.160 21.870 ( 1.018 -0.321 -5.046) 5.158 21.870 ( -1.018 -0.321 5.046) 5.158 22.861 ( 2.008 3.065 -7.514) 8.360 22.861 ( -2.008 3.065 7.514) 8.360 23.387 ( 0.981 3.333 -4.686) 5.833 23.387 ( -0.981 3.333 4.686) 5.833 26.032 ( -3.319 0.660 -8.876) 9.500 26.032 ( 3.319 0.660 8.876) 9.500 26.515 ( 6.050 -1.486 -5.626) 8.394 26.515 ( -6.050 -1.486 5.626) 8.394 ======================= Grid point 187 (89/100) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 0.059 14.684 -25.098) 29.078 2.756 ( -0.059 14.684 25.098) 29.078 3.210 ( -12.920 8.650 -32.060) 35.631 3.210 ( 12.920 8.650 32.060) 35.631 3.623 ( 4.601 -0.640 -6.284) 7.815 3.623 ( -4.601 -0.640 6.284) 7.815 3.825 ( -6.575 11.328 -4.916) 13.990 3.825 ( 6.575 11.328 4.916) 13.990 4.278 ( -12.135 0.482 0.197) 12.146 4.278 ( 12.135 0.482 -0.197) 12.146 4.601 ( 2.088 2.477 -5.693) 6.550 4.601 ( -2.088 2.477 5.693) 6.550 4.767 ( -7.516 5.200 -16.320) 18.705 4.767 ( 7.516 5.200 16.320) 18.705 4.983 ( 3.279 -2.008 -9.932) 10.650 4.983 ( -3.279 -2.008 9.932) 10.650 5.235 ( -2.667 3.989 -5.902) 7.607 5.235 ( 2.667 3.989 5.902) 7.607 5.485 ( 2.353 -2.861 -5.898) 6.965 5.485 ( -2.353 -2.861 5.898) 6.965 5.715 ( -0.394 5.191 -3.080) 6.048 5.715 ( 0.394 5.191 3.080) 6.048 5.883 ( -0.301 -5.098 -0.316) 5.116 5.883 ( 0.301 -5.098 0.316) 5.116 6.050 ( -2.702 7.983 -4.496) 9.552 6.050 ( 2.702 7.983 4.496) 9.552 6.372 ( -4.818 0.520 0.612) 4.885 6.372 ( 4.818 0.520 -0.612) 4.885 6.522 ( -0.205 -1.870 -4.347) 4.736 6.522 ( 0.205 -1.870 4.347) 4.736 6.804 ( -0.417 5.286 -5.458) 7.610 6.804 ( 0.417 5.286 5.458) 7.610 7.067 ( -2.916 -3.092 -3.096) 5.258 7.067 ( 2.916 -3.092 3.096) 5.258 7.186 ( -2.668 -1.576 -8.006) 8.585 7.186 ( 2.668 -1.576 8.006) 8.585 7.401 ( -6.493 0.229 -2.250) 6.876 7.401 ( 6.493 0.229 2.250) 6.876 7.617 ( -2.826 -5.034 -8.864) 10.578 7.617 ( 2.826 -5.034 8.864) 10.578 7.860 ( -9.975 -5.192 -2.490) 11.518 7.860 ( 9.975 -5.192 2.490) 11.518 8.114 ( 0.194 2.092 -7.490) 7.779 8.114 ( -0.194 2.092 7.490) 7.779 8.477 ( -7.979 -2.775 -0.259) 8.452 8.477 ( 7.979 -2.775 0.259) 8.452 8.715 ( 1.708 -2.731 -9.505) 10.036 8.715 ( -1.708 -2.731 9.505) 10.036 8.975 ( -6.486 -1.192 -4.809) 8.162 8.975 ( 6.486 -1.192 4.809) 8.162 9.336 ( 3.504 -1.462 -12.470) 13.035 9.336 ( -3.504 -1.462 12.470) 13.035 9.646 ( 2.540 6.087 -13.830) 15.322 9.646 ( -2.540 6.087 13.830) 15.322 9.929 ( -2.356 0.196 -5.220) 5.730 9.929 ( 2.356 0.196 5.220) 5.730 10.123 ( -8.344 14.902 -8.108) 18.905 10.123 ( 8.344 14.902 8.108) 18.905 10.435 ( 0.385 -0.825 -5.545) 5.620 10.435 ( -0.385 -0.825 5.545) 5.620 10.932 ( -8.775 -6.546 -9.907) 14.765 10.932 ( 8.775 -6.546 9.907) 14.765 11.154 ( -4.071 1.119 -8.559) 9.544 11.154 ( 4.071 1.119 8.559) 9.544 11.395 ( -1.004 -5.923 -6.174) 8.614 11.395 ( 1.004 -5.923 6.174) 8.614 11.712 ( -5.584 -10.113 -2.468) 11.813 11.712 ( 5.584 -10.113 2.468) 11.813 12.153 ( 3.678 -13.629 -12.144) 18.621 12.153 ( -3.678 -13.629 12.144) 18.621 12.492 ( -0.971 -1.937 -4.689) 5.165 12.492 ( 0.971 -1.937 4.689) 5.165 12.833 ( -0.720 -8.084 -5.850) 10.005 12.833 ( 0.720 -8.084 5.850) 10.005 13.351 ( -5.836 3.175 -8.774) 11.006 13.351 ( 5.836 3.175 8.774) 11.006 13.501 ( -1.948 -2.589 -5.347) 6.251 13.501 ( 1.948 -2.589 5.347) 6.251 14.252 ( -5.270 -13.647 0.913) 14.658 14.252 ( 5.270 -13.647 -0.913) 14.658 15.013 ( 0.521 7.121 -13.588) 15.350 15.013 ( -0.521 7.121 13.588) 15.350 15.528 ( -2.281 4.149 -5.146) 6.993 15.528 ( 2.281 4.149 5.146) 6.993 15.777 ( 4.677 12.439 -12.661) 18.355 15.777 ( -4.677 12.439 12.661) 18.355 16.399 ( 0.924 10.497 -1.204) 10.606 16.399 ( -0.924 10.497 1.204) 10.606 17.174 ( -3.390 -4.414 -4.530) 7.176 17.174 ( 3.390 -4.414 4.530) 7.176 18.249 ( -9.063 -11.972 -6.703) 16.444 18.249 ( 9.063 -11.972 6.703) 16.444 19.452 ( -5.826 -4.867 -1.250) 7.694 19.452 ( 5.826 -4.867 1.250) 7.694 20.504 ( -5.190 3.266 -2.442) 6.600 20.504 ( 5.190 3.266 2.442) 6.600 20.739 ( -11.504 -3.124 -1.787) 12.054 20.739 ( 11.504 -3.124 1.787) 12.054 21.825 ( 2.021 0.630 -3.192) 3.830 21.825 ( -2.021 0.630 3.192) 3.830 23.008 ( 1.632 2.228 -1.538) 3.161 23.008 ( -1.632 2.228 1.538) 3.161 23.350 ( 1.305 7.297 -1.806) 7.629 23.350 ( -1.305 7.297 1.806) 7.629 25.975 ( -1.061 1.789 -0.992) 2.305 25.975 ( 1.061 1.789 0.992) 2.305 26.681 ( 0.093 -7.290 -3.934) 8.284 26.681 ( -0.093 -7.290 3.934) 8.284 ======================= Grid point 189 (90/100) ======================= q-point: ( 0.17 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -3.675 5.650 -25.087) 25.976 2.737 ( -5.140 19.821 -34.207) 39.867 2.882 ( -4.311 10.313 14.079) 17.977 3.442 ( -8.010 7.191 9.066) 14.074 3.529 ( -7.045 -3.901 1.297) 8.156 3.620 ( -5.151 18.502 15.220) 24.506 3.783 ( -0.689 6.968 5.604) 8.968 3.909 ( -7.550 -3.975 8.312) 11.912 4.227 ( 12.524 4.545 -1.190) 13.376 4.326 ( -6.351 -1.792 -8.042) 10.403 4.542 ( -2.027 5.842 -17.502) 18.563 4.574 ( 8.144 7.342 0.139) 10.966 4.712 ( 2.496 3.926 -2.702) 5.380 4.934 ( -4.505 1.535 1.184) 4.904 5.021 ( 4.773 1.937 7.371) 8.992 5.122 ( 15.417 4.644 8.425) 18.172 5.213 ( 4.139 1.308 -4.995) 6.618 5.345 ( -0.347 0.723 13.574) 13.597 5.485 ( -1.745 -4.735 3.938) 6.401 5.499 ( 5.085 -2.958 -7.669) 9.666 5.702 ( 0.779 -1.492 0.237) 1.700 5.784 ( -7.554 6.732 -1.330) 10.206 5.831 ( 4.121 4.223 -4.539) 7.444 5.861 ( 7.271 -4.765 -0.507) 8.708 6.027 ( 2.704 0.328 1.909) 3.326 6.177 ( 5.328 2.392 -3.141) 6.631 6.273 ( -7.603 -0.525 3.961) 8.589 6.437 ( 1.276 2.349 4.089) 4.886 6.476 ( -0.224 -2.418 -4.704) 5.294 6.521 ( -3.869 -1.469 2.698) 4.940 6.736 ( -2.751 6.674 -2.238) 7.557 6.834 ( -3.091 1.409 8.203) 8.879 6.975 ( -5.735 -0.482 -4.994) 7.620 7.097 ( 2.305 -1.947 -5.368) 6.158 7.186 ( 6.273 0.395 1.792) 6.536 7.228 ( -1.973 2.651 6.539) 7.327 7.298 ( -5.260 -5.846 -0.033) 7.864 7.450 ( -0.429 3.384 0.568) 3.458 7.631 ( 0.896 -0.947 1.371) 1.892 7.752 ( 5.456 -1.441 0.357) 5.654 7.820 ( 11.944 -5.534 0.955) 13.198 7.991 ( 0.643 -2.567 -0.788) 2.761 8.108 ( 3.715 -1.431 0.730) 4.047 8.133 ( -3.258 0.626 6.700) 7.476 8.334 ( -2.844 -6.773 -1.957) 7.602 8.486 ( -0.852 -4.787 -13.548) 14.395 8.731 ( -1.252 -3.910 8.604) 9.533 8.840 ( -1.443 -0.008 -3.502) 3.788 8.864 ( 7.456 2.277 3.602) 8.588 9.101 ( 0.043 -0.365 -1.347) 1.396 9.223 ( -1.288 -4.949 -5.122) 7.238 9.272 ( -5.474 2.393 -1.702) 6.212 9.631 ( 0.941 6.354 -5.988) 8.782 9.695 ( -12.466 10.920 7.138) 18.044 9.807 ( -2.694 1.880 4.629) 5.676 9.922 ( -1.089 1.437 -0.161) 1.810 10.014 ( -1.038 7.204 4.099) 8.353 10.199 ( -0.952 11.545 3.263) 12.035 10.397 ( -5.714 -2.689 0.378) 6.326 10.510 ( 2.344 -2.382 -1.422) 3.632 10.804 ( 2.257 -6.783 -3.438) 7.932 10.915 ( -10.270 0.198 -6.278) 12.039 11.165 ( 1.983 -6.541 6.792) 9.636 11.203 ( -1.956 -0.703 2.774) 3.466 11.323 ( -1.023 -2.927 -1.146) 3.306 11.355 ( -7.388 -3.842 1.247) 8.420 11.644 ( 2.208 -3.781 -2.724) 5.156 11.898 ( 10.162 -12.777 -1.165) 16.367 11.988 ( -7.252 -3.657 -13.728) 15.951 12.124 ( -2.631 -18.909 1.584) 19.157 12.502 ( 3.220 -6.539 -5.766) 9.294 12.569 ( -0.721 -8.173 8.199) 11.599 12.823 ( 4.162 -6.496 -5.365) 9.397 12.923 ( 4.704 -2.029 4.179) 6.611 13.235 ( -1.576 4.153 -4.475) 6.305 13.403 ( -0.967 8.192 -8.322) 11.717 13.563 ( 6.206 -7.440 8.432) 12.844 13.672 ( 11.939 -3.272 11.207) 16.699 14.151 ( -6.535 -9.077 0.926) 11.223 14.360 ( 7.233 -16.523 -1.998) 18.147 14.892 ( -3.111 3.746 -10.657) 11.716 15.049 ( -5.112 6.300 10.455) 13.234 15.451 ( -1.693 1.100 -4.578) 5.003 15.573 ( -0.931 6.317 3.447) 7.257 15.767 ( 0.635 11.391 -3.324) 11.883 15.792 ( -1.760 12.026 5.079) 13.172 16.365 ( 0.037 9.001 7.946) 12.006 16.546 ( 8.661 10.233 -0.580) 13.419 17.047 ( -5.974 -2.960 -1.046) 6.749 17.266 ( 1.963 -5.543 -0.370) 5.892 18.056 ( -2.768 -6.570 -6.989) 9.984 18.471 ( 10.495 -16.785 -2.413) 19.943 19.308 ( -5.332 -0.056 0.547) 5.360 19.632 ( 10.987 -7.683 -4.653) 14.191 20.396 ( -7.072 -0.071 -0.477) 7.089 20.451 ( -13.236 -0.723 0.427) 13.262 20.640 ( 4.701 3.373 5.169) 7.759 20.934 ( 7.780 -3.084 -1.798) 8.559 21.814 ( -0.533 0.610 2.388) 2.521 21.855 ( 2.704 0.400 -2.591) 3.766 22.970 ( -2.904 3.251 0.847) 4.441 22.999 ( -0.570 2.223 -3.361) 4.070 23.376 ( 1.186 7.005 5.233) 8.823 23.390 ( 3.279 6.091 0.229) 6.921 25.935 ( -1.918 2.261 3.080) 4.275 26.049 ( 4.282 0.854 0.177) 4.369 26.606 ( -4.016 -6.416 -6.760) 10.149 26.657 ( -4.779 -5.898 2.396) 7.960 ======================= Grid point 190 (91/100) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 5.472 8.552 -16.707) 19.550 2.593 ( 4.467 14.226 -18.397) 23.681 2.884 ( 1.700 5.327 -0.075) 5.592 3.253 ( -12.703 4.086 2.868) 13.649 3.332 ( -12.810 3.719 2.316) 13.538 3.477 ( -23.049 1.280 0.240) 23.086 3.821 ( 5.446 9.622 15.865) 19.338 3.997 ( 3.288 10.816 13.423) 17.550 4.168 ( -1.537 1.529 -13.942) 14.109 4.387 ( -4.385 4.526 -6.672) 9.177 4.502 ( 12.725 5.427 -0.367) 13.839 4.689 ( 2.719 7.279 3.362) 8.466 4.749 ( 5.935 7.151 -8.736) 12.755 4.835 ( -7.538 2.166 4.169) 8.882 5.110 ( 0.932 6.541 6.442) 9.228 5.238 ( 5.012 3.914 -6.721) 9.253 5.311 ( -3.386 -0.784 1.498) 3.784 5.403 ( -3.727 -0.037 9.529) 10.232 5.518 ( 2.979 -0.978 2.974) 4.322 5.602 ( 9.049 -6.727 -6.643) 13.087 5.653 ( 2.719 0.014 -7.038) 7.545 5.760 ( 1.862 -4.716 -1.007) 5.169 5.828 ( 0.953 -3.194 3.215) 4.631 6.035 ( 2.814 -3.367 2.772) 5.190 6.124 ( 12.194 1.081 -8.060) 14.657 6.183 ( -6.133 -2.116 9.133) 11.202 6.217 ( 1.424 -3.444 -0.391) 3.747 6.396 ( -8.708 7.434 3.568) 11.992 6.456 ( 3.947 -5.596 -9.144) 11.424 6.555 ( 6.188 1.430 2.173) 6.712 6.649 ( -5.853 1.762 -3.257) 6.926 6.827 ( -5.475 0.900 11.199) 12.498 6.862 ( -2.800 3.721 1.439) 4.874 7.095 ( -5.731 -4.294 -5.873) 9.261 7.156 ( 1.148 0.648 -1.920) 2.329 7.298 ( -0.662 1.204 6.619) 6.760 7.369 ( 10.796 5.623 5.230) 13.249 7.444 ( 2.161 5.767 2.121) 6.514 7.661 ( 0.130 -4.273 2.125) 4.774 7.915 ( 9.343 8.012 -4.438) 13.083 7.959 ( 4.853 -8.536 -3.439) 10.404 7.976 ( -3.879 0.063 -0.601) 3.926 8.074 ( -7.676 4.243 9.463) 12.902 8.133 ( -3.989 -3.906 2.457) 6.100 8.339 ( 6.541 -11.700 -8.873) 16.075 8.459 ( 7.117 0.047 -1.927) 7.374 8.723 ( -5.124 0.526 4.606) 6.910 8.853 ( 3.516 -0.908 -0.974) 3.760 8.944 ( -4.047 -0.240 2.224) 4.624 8.996 ( 3.191 -5.490 -8.092) 10.286 9.180 ( -7.124 6.090 4.983) 10.615 9.256 ( 4.714 -3.038 -5.870) 8.118 9.508 ( -4.425 8.180 -0.540) 9.316 9.613 ( 0.782 0.511 -2.128) 2.324 9.771 ( -11.100 1.307 5.821) 12.602 9.917 ( -5.981 1.687 8.477) 10.511 9.993 ( 2.856 9.470 -8.186) 12.839 10.220 ( -6.101 1.998 0.409) 6.433 10.310 ( 0.822 2.217 10.414) 10.679 10.488 ( -0.814 -3.125 -1.921) 3.757 10.741 ( -4.594 0.506 -2.336) 5.179 10.839 ( -1.218 2.210 -5.610) 6.151 11.044 ( -4.254 -8.019 -5.831) 10.789 11.157 ( -11.310 -9.730 11.545) 18.865 11.289 ( 5.493 -3.671 2.776) 7.166 11.462 ( 6.652 2.775 0.178) 7.210 11.647 ( 0.064 -3.036 -4.410) 5.354 11.760 ( -7.010 -5.089 -14.792) 17.142 12.018 ( 6.032 -8.945 -0.280) 10.792 12.154 ( 2.309 -14.652 2.462) 15.036 12.482 ( -0.625 -8.930 -2.231) 9.225 12.564 ( -3.013 -14.281 -0.431) 14.602 12.908 ( 8.611 1.017 -2.724) 9.089 13.043 ( 5.412 2.152 5.054) 7.711 13.184 ( -5.346 8.507 2.890) 10.454 13.298 ( -3.071 5.507 -10.042) 11.857 13.712 ( 6.287 -4.804 3.256) 8.556 13.981 ( -0.007 -9.962 3.648) 10.609 14.083 ( 9.052 -4.067 9.602) 13.808 14.457 ( 4.035 -17.763 -2.147) 18.341 14.794 ( 0.702 -1.966 -8.641) 8.890 14.985 ( -9.128 2.731 6.703) 11.650 15.421 ( 2.236 -0.092 -3.818) 4.426 15.554 ( -3.882 4.104 2.797) 6.304 15.749 ( -1.013 11.474 0.713) 11.541 15.781 ( -1.183 12.224 -0.321) 12.286 16.484 ( 4.045 7.425 11.831) 14.542 16.643 ( 3.638 7.472 -4.151) 9.289 16.979 ( -2.140 -1.000 3.857) 4.523 17.199 ( -5.628 -3.225 -7.578) 9.975 18.113 ( 10.744 -7.172 0.496) 12.927 18.522 ( -1.564 -16.800 -7.184) 18.338 19.319 ( 6.258 2.196 1.539) 6.808 19.694 ( -1.962 -4.066 -6.409) 7.840 20.240 ( -4.251 -5.641 1.079) 7.145 20.338 ( -4.826 -2.471 1.691) 5.680 20.771 ( 4.927 3.814 7.211) 9.530 20.980 ( 0.567 -1.633 -5.217) 5.496 21.837 ( 0.601 0.292 3.335) 3.401 21.875 ( 1.774 0.155 -3.354) 3.798 22.934 ( -2.070 3.773 1.920) 4.712 22.958 ( -0.791 3.013 -3.838) 4.943 23.439 ( 0.744 5.702 6.107) 8.388 23.447 ( 3.128 5.046 -1.140) 6.045 25.958 ( 1.043 1.974 5.937) 6.343 26.101 ( 1.119 -0.174 -1.750) 2.084 26.486 ( -1.836 -3.464 -8.074) 8.975 26.567 ( -6.787 -3.756 2.360) 8.108 ======================= Grid point 191 (92/100) ======================= q-point: (-0.50 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( -5.704 10.121 -2.595) 11.904 2.486 ( 5.704 10.121 2.595) 11.904 3.025 ( 15.944 2.440 -11.858) 20.019 3.025 ( -15.944 2.440 11.858) 20.019 3.222 ( 2.299 4.042 -10.820) 11.777 3.222 ( -2.299 4.042 10.820) 11.777 3.986 ( -1.213 4.726 -15.781) 16.518 3.986 ( 1.213 4.726 15.781) 16.518 4.234 ( -5.444 11.170 -11.352) 16.831 4.234 ( 5.444 11.170 11.352) 16.831 4.666 ( 0.333 4.319 -9.784) 10.700 4.666 ( -0.333 4.319 9.784) 10.700 4.781 ( 6.489 8.286 -13.848) 17.394 4.781 ( -6.489 8.286 13.848) 17.394 5.193 ( 0.112 2.875 -6.786) 7.371 5.193 ( -0.112 2.875 6.786) 7.371 5.331 ( 7.413 1.144 -8.416) 11.273 5.331 ( -7.413 1.144 8.416) 11.273 5.587 ( -1.884 -0.523 -3.133) 3.693 5.587 ( 1.884 -0.523 3.133) 3.693 5.722 ( 1.618 -9.089 -4.740) 10.378 5.722 ( -1.618 -9.089 4.740) 10.378 5.979 ( 3.243 -4.024 -7.994) 9.519 5.979 ( -3.243 -4.024 7.994) 9.519 6.175 ( 3.998 -4.347 -9.999) 11.613 6.175 ( -3.998 -4.347 9.999) 11.613 6.300 ( -0.735 4.596 -4.147) 6.234 6.300 ( 0.735 4.596 4.147) 6.234 6.497 ( 4.154 -2.176 -2.232) 5.194 6.497 ( -4.154 -2.176 2.232) 5.194 6.726 ( 7.196 2.950 -6.924) 10.413 6.726 ( -7.196 2.950 6.924) 10.413 6.931 ( -4.785 -0.952 -7.508) 8.954 6.931 ( 4.785 -0.952 7.508) 8.954 7.240 ( 0.256 4.064 -6.120) 7.351 7.240 ( -0.256 4.064 6.120) 7.351 7.550 ( -4.426 -3.015 -2.916) 6.097 7.550 ( 4.426 -3.015 2.916) 6.097 7.713 ( -13.310 5.427 -4.324) 15.010 7.713 ( 13.310 5.427 4.324) 15.010 8.007 ( 7.717 1.195 -9.918) 12.623 8.007 ( -7.717 1.195 9.918) 12.623 8.074 ( -0.055 -2.264 -6.236) 6.634 8.074 ( 0.055 -2.264 6.236) 6.634 8.452 ( -0.412 -0.387 -0.716) 0.913 8.452 ( 0.412 -0.387 0.716) 0.913 8.764 ( -8.223 0.976 -2.298) 8.594 8.764 ( 8.223 0.976 2.298) 8.594 8.991 ( -6.210 -1.874 -8.471) 10.669 8.991 ( 6.210 -1.874 8.471) 10.669 9.221 ( -4.924 -5.762 -4.510) 8.819 9.221 ( 4.924 -5.762 4.510) 8.819 9.511 ( 5.435 2.611 -3.867) 7.163 9.511 ( -5.435 2.611 3.867) 7.163 9.778 ( -1.926 1.975 -7.295) 7.799 9.778 ( 1.926 1.975 7.295) 7.799 10.071 ( 0.999 5.114 -6.208) 8.105 10.071 ( -0.999 5.114 6.208) 8.105 10.439 ( -4.362 2.755 -4.842) 7.076 10.439 ( 4.362 2.755 4.842) 7.076 10.734 ( 0.321 2.716 -10.483) 10.834 10.734 ( -0.321 2.716 10.483) 10.834 11.045 ( 7.363 -10.726 -9.652) 16.199 11.045 ( -7.363 -10.726 9.652) 16.199 11.464 ( -7.074 0.794 -6.126) 9.391 11.464 ( 7.074 0.794 6.126) 9.391 11.608 ( -0.209 -6.364 -1.651) 6.578 11.608 ( 0.209 -6.364 1.651) 6.578 12.137 ( -4.017 -8.770 -2.899) 10.072 12.137 ( 4.017 -8.770 2.899) 10.072 12.496 ( 3.343 -13.226 -10.676) 17.323 12.496 ( -3.343 -13.226 10.676) 17.323 13.062 ( -3.464 6.985 -1.009) 7.861 13.062 ( 3.464 6.985 1.009) 7.861 13.173 ( -0.246 4.639 -12.456) 13.294 13.173 ( 0.246 4.639 12.456) 13.294 13.852 ( -1.626 -4.872 -6.709) 8.449 13.852 ( 1.626 -4.872 6.709) 8.449 14.386 ( -9.178 -14.142 -7.536) 18.467 14.386 ( 9.178 -14.142 7.536) 18.467 14.843 ( 7.602 -2.054 -7.357) 10.777 14.843 ( -7.602 -2.054 7.357) 10.777 15.478 ( 1.114 1.167 -2.138) 2.679 15.478 ( -1.114 1.167 2.138) 2.679 15.756 ( 4.055 12.245 -11.164) 17.059 15.756 ( -4.055 12.245 11.164) 17.059 16.615 ( -0.394 6.422 -10.655) 12.447 16.615 ( 0.394 6.422 10.655) 12.447 17.040 ( -3.711 -0.641 -9.272) 10.008 17.040 ( 3.711 -0.641 9.272) 10.008 18.349 ( -10.903 -12.024 -6.701) 17.560 18.349 ( 10.903 -12.024 6.701) 17.560 19.511 ( -11.729 0.443 -3.293) 12.191 19.511 ( 11.729 0.443 3.293) 12.191 20.265 ( 0.734 -6.204 -1.770) 6.494 20.265 ( -0.734 -6.204 1.770) 6.494 20.902 ( -1.349 1.265 -10.284) 10.449 20.902 ( 1.349 1.265 10.284) 10.449 21.868 ( 1.293 0.081 -5.504) 5.655 21.868 ( -1.293 0.081 5.504) 5.655 22.929 ( 0.978 3.613 -4.041) 5.508 22.929 ( -0.978 3.613 4.041) 5.508 23.471 ( 1.637 4.875 -4.618) 6.911 23.471 ( -1.637 4.875 4.618) 6.911 26.045 ( -1.879 0.598 -7.781) 8.027 26.045 ( 1.879 0.598 7.781) 8.027 26.477 ( 4.721 -2.333 -4.560) 6.966 26.477 ( -4.721 -2.333 4.560) 6.966 ======================= Grid point 195 (93/100) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( -9.927 8.893 -18.852) 23.088 3.001 ( 9.927 8.893 18.852) 23.088 3.308 ( 4.471 1.358 -12.723) 13.554 3.308 ( -4.471 1.358 12.723) 13.554 3.699 ( -7.922 9.605 -8.842) 15.271 3.699 ( 7.922 9.605 8.842) 15.271 4.076 ( -3.185 12.189 -5.547) 13.765 4.076 ( 3.185 12.189 5.547) 13.765 4.248 ( -5.370 -0.651 -1.495) 5.612 4.248 ( 5.370 -0.651 1.495) 5.612 4.641 ( 5.868 -0.320 -3.975) 7.095 4.641 ( -5.868 -0.320 3.975) 7.095 4.816 ( -3.291 0.201 -9.491) 10.047 4.816 ( 3.291 0.201 9.491) 10.047 4.966 ( -1.468 -1.033 -14.404) 14.516 4.966 ( 1.468 -1.033 14.404) 14.516 5.220 ( 0.432 -3.986 -5.663) 6.939 5.220 ( -0.432 -3.986 5.663) 6.939 5.476 ( 1.073 3.498 -6.132) 7.141 5.476 ( -1.073 3.498 6.132) 7.141 5.637 ( -0.544 -7.845 -1.586) 8.022 5.637 ( 0.544 -7.845 1.586) 8.022 5.862 ( -2.305 -0.362 -2.405) 3.350 5.862 ( 2.305 -0.362 2.405) 3.350 6.197 ( 2.522 4.882 -5.396) 7.702 6.197 ( -2.522 4.882 5.396) 7.702 6.380 ( 2.698 -1.834 -4.069) 5.215 6.380 ( -2.698 -1.834 4.069) 5.215 6.518 ( -2.771 1.690 -6.050) 6.865 6.518 ( 2.771 1.690 6.050) 6.865 6.794 ( 5.053 -6.018 -2.780) 8.335 6.794 ( -5.053 -6.018 2.780) 8.335 6.973 ( -1.975 -4.852 -5.461) 7.567 6.973 ( 1.975 -4.852 5.461) 7.567 7.204 ( -0.599 -2.335 -6.669) 7.091 7.204 ( 0.599 -2.335 6.669) 7.091 7.491 ( -7.256 11.736 -1.410) 13.870 7.491 ( 7.256 11.736 1.410) 13.870 7.650 ( -9.771 7.859 -7.931) 14.837 7.650 ( 9.771 7.859 7.931) 14.837 7.890 ( -3.263 6.982 -1.801) 7.914 7.890 ( 3.263 6.982 1.801) 7.914 8.198 ( 7.043 7.660 -10.770) 14.975 8.198 ( -7.043 7.660 10.770) 14.975 8.414 ( -4.355 -2.724 -11.129) 12.257 8.414 ( 4.355 -2.724 11.129) 12.257 8.676 ( -8.317 -1.318 -7.704) 11.414 8.676 ( 8.317 -1.318 7.704) 11.414 8.969 ( -5.834 1.427 -3.351) 6.877 8.969 ( 5.834 1.427 3.351) 6.877 9.254 ( -3.954 -5.188 -8.932) 11.060 9.254 ( 3.954 -5.188 8.932) 11.060 9.774 ( 2.219 6.367 -8.630) 10.951 9.774 ( -2.219 6.367 8.630) 10.951 9.942 ( -9.468 -2.004 -6.591) 11.709 9.942 ( 9.468 -2.004 6.591) 11.709 10.300 ( -9.715 3.673 -6.529) 12.267 10.300 ( 9.715 3.673 6.529) 12.267 10.423 ( 2.568 -2.218 -10.539) 11.072 10.423 ( -2.568 -2.218 10.539) 11.072 10.850 ( -8.839 -0.453 -6.361) 10.899 10.850 ( 8.839 -0.453 6.361) 10.899 11.127 ( -4.111 -4.411 -9.364) 11.137 11.127 ( 4.111 -4.411 9.364) 11.137 11.241 ( 3.855 -8.343 -4.638) 10.294 11.241 ( -3.855 -8.343 4.638) 10.294 11.573 ( 6.742 -3.571 -8.665) 11.545 11.573 ( -6.742 -3.571 8.665) 11.545 11.911 ( 2.912 -9.836 -11.296) 15.259 11.911 ( -2.912 -9.836 11.296) 15.259 12.337 ( 3.210 -14.975 -7.487) 17.047 12.337 ( -3.210 -14.975 7.487) 17.047 12.726 ( -5.036 -1.001 -9.363) 10.679 12.726 ( 5.036 -1.001 9.363) 10.679 13.195 ( -2.138 -10.082 -8.669) 13.467 13.195 ( 2.138 -10.082 8.669) 13.467 13.650 ( -1.450 8.331 -6.692) 10.784 13.650 ( 1.450 8.331 6.692) 10.784 14.045 ( 5.133 -6.587 -4.302) 9.394 14.045 ( -5.133 -6.587 4.302) 9.394 15.174 ( -0.852 8.671 -15.005) 17.351 15.174 ( 0.852 8.671 15.005) 17.351 15.559 ( -2.390 -0.895 -11.275) 11.561 15.559 ( 2.390 -0.895 11.275) 11.561 16.043 ( 5.897 13.614 -13.807) 20.267 16.043 ( -5.897 13.614 13.807) 20.267 16.561 ( 5.223 6.779 -6.951) 11.025 16.561 ( -5.223 6.779 6.951) 11.025 17.069 ( 0.202 -6.495 -3.854) 7.555 17.069 ( -0.202 -6.495 3.854) 7.555 18.043 ( -4.303 -8.811 -6.141) 11.570 18.043 ( 4.303 -8.811 6.141) 11.570 19.377 ( -2.300 -2.871 -1.168) 3.860 19.377 ( 2.300 -2.871 1.168) 3.860 20.554 ( -7.489 1.957 -3.462) 8.480 20.554 ( 7.489 1.957 3.462) 8.480 20.674 ( -10.534 -3.248 -3.476) 11.559 20.674 ( 10.534 -3.248 3.476) 11.559 21.838 ( 1.034 0.597 -2.000) 2.329 21.838 ( -1.034 0.597 2.000) 2.329 23.047 ( 0.715 1.674 -0.893) 2.027 23.047 ( -0.715 1.674 0.893) 2.027 23.475 ( 0.852 5.338 -2.020) 5.770 23.475 ( -0.852 5.338 2.020) 5.770 26.013 ( -1.123 1.978 -1.192) 2.568 26.013 ( 1.123 1.978 1.192) 2.568 26.551 ( 0.083 -5.846 -3.944) 7.053 26.551 ( -0.083 -5.846 3.944) 7.053 ======================= Grid point 197 (94/100) ======================= q-point: ( 0.17 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( -7.084 9.249 -17.134) 20.719 3.079 ( -9.284 8.815 9.725) 16.077 3.189 ( -3.934 22.099 -22.294) 31.637 3.417 ( 3.610 -4.183 5.855) 8.050 3.563 ( -6.817 3.314 0.174) 7.582 3.829 ( -16.220 0.588 13.722) 21.254 3.866 ( 0.788 7.908 4.334) 9.052 4.076 ( -2.638 17.856 10.547) 20.906 4.275 ( -4.177 -0.951 -2.037) 4.744 4.318 ( 8.821 3.460 -1.572) 9.604 4.607 ( -0.706 0.861 -11.806) 11.859 4.670 ( 4.789 0.070 6.332) 7.939 4.737 ( -0.771 -0.438 1.438) 1.690 4.911 ( 3.393 -2.588 -8.432) 9.451 5.061 ( 15.540 -0.502 0.714) 15.564 5.171 ( 8.111 0.975 13.010) 15.362 5.207 ( 0.080 -2.671 1.038) 2.867 5.300 ( 4.022 -5.960 4.174) 8.314 5.431 ( -1.380 0.381 -5.426) 5.612 5.479 ( -1.712 3.830 3.413) 5.409 5.598 ( -2.081 -10.619 -2.106) 11.023 5.664 ( 2.858 -1.164 1.033) 3.254 5.843 ( 0.219 -2.703 3.044) 4.077 5.974 ( 5.088 1.597 -4.537) 7.002 6.067 ( -4.631 2.755 0.909) 5.465 6.176 ( -3.318 -1.741 -8.145) 8.965 6.307 ( -5.085 0.205 -0.403) 5.105 6.372 ( -0.792 -2.263 -5.273) 5.792 6.466 ( -0.203 -1.317 -1.720) 2.176 6.567 ( -1.484 0.682 3.060) 3.468 6.754 ( -0.315 -2.688 5.271) 5.925 6.847 ( -0.999 1.086 -2.441) 2.852 6.960 ( 3.309 -5.890 0.593) 6.782 7.048 ( -0.444 2.985 0.385) 3.042 7.155 ( -3.784 -5.681 0.611) 6.854 7.233 ( 0.982 -2.468 6.911) 7.403 7.399 ( 0.104 15.150 -2.255) 15.318 7.526 ( 1.739 -0.859 -3.626) 4.112 7.674 ( 9.961 4.983 2.472) 11.409 7.760 ( -5.886 10.168 -1.578) 11.854 7.916 ( 9.803 4.674 5.989) 12.402 7.974 ( 6.235 -0.526 -4.747) 7.854 8.111 ( -8.500 4.838 3.859) 10.515 8.223 ( -4.819 8.597 5.938) 11.506 8.269 ( 2.546 4.775 -10.930) 12.197 8.469 ( 1.037 3.069 -4.864) 5.844 8.628 ( 1.374 -6.361 8.355) 10.590 8.851 ( -2.457 0.504 -2.248) 3.368 8.896 ( 3.501 1.284 3.175) 4.898 9.069 ( -2.081 -1.779 -4.314) 5.109 9.125 ( 5.626 -2.374 -3.850) 7.219 9.296 ( -0.175 1.273 -2.610) 2.909 9.701 ( -8.767 -3.015 -2.489) 9.599 9.825 ( -0.821 3.723 5.187) 6.437 9.862 ( 6.189 -0.349 -0.457) 6.216 10.035 ( -12.541 16.355 0.495) 20.615 10.168 ( 6.729 6.841 3.245) 10.130 10.295 ( -4.543 -4.133 -1.895) 6.427 10.409 ( -4.214 -4.712 1.994) 6.628 10.468 ( -2.265 3.980 1.864) 4.944 10.691 ( -1.059 -4.064 0.949) 4.306 10.879 ( -8.880 -3.143 1.369) 9.518 11.015 ( -0.608 -7.857 0.305) 7.887 11.131 ( -3.390 -8.274 3.676) 9.668 11.197 ( -11.086 -5.444 5.614) 13.567 11.355 ( 7.990 -0.418 -5.764) 9.861 11.554 ( -0.584 -4.097 2.423) 4.796 11.722 ( 13.463 -6.572 -3.821) 15.462 11.747 ( -4.256 -15.289 0.257) 15.872 11.965 ( -2.939 -0.032 -10.718) 11.114 12.279 ( -6.322 -17.807 3.612) 19.238 12.350 ( 3.570 -12.054 -5.401) 13.683 12.680 ( 7.226 -5.634 -3.316) 9.744 12.890 ( 6.123 -3.113 3.811) 7.855 13.170 ( 5.561 -5.944 1.273) 8.239 13.347 ( 7.124 -7.529 -1.332) 10.450 13.594 ( -1.288 5.671 -2.380) 6.284 13.751 ( 3.405 5.543 8.097) 10.387 13.977 ( -4.770 -5.663 5.335) 9.126 14.146 ( 7.464 -5.872 -2.886) 9.926 15.012 ( -3.857 8.097 -15.973) 18.318 15.224 ( -5.522 9.415 10.747) 15.318 15.442 ( -1.731 -1.759 -9.288) 9.610 15.635 ( -2.429 -0.089 8.103) 8.460 16.005 ( -4.305 13.089 5.903) 14.990 16.057 ( 1.649 13.158 -4.693) 14.067 16.507 ( -2.213 6.124 8.404) 10.632 16.688 ( 8.063 5.363 -4.699) 10.764 16.971 ( -5.593 -5.193 2.864) 8.151 17.143 ( 2.585 -7.151 -2.116) 7.893 17.944 ( -0.363 -4.584 -5.264) 6.990 18.171 ( 5.325 -13.465 1.312) 14.539 19.317 ( -0.701 0.950 -0.169) 1.192 19.496 ( 8.870 -6.098 -3.284) 11.254 20.381 ( -12.123 -1.085 -2.194) 12.368 20.428 ( -11.143 -1.484 -0.210) 11.243 20.707 ( 6.611 3.281 4.507) 8.648 20.868 ( 7.749 -3.376 0.655) 8.477 21.830 ( 0.095 0.963 0.674) 1.179 21.861 ( 1.937 0.136 -1.502) 2.455 23.024 ( -1.637 2.227 -0.227) 2.773 23.038 ( -0.624 1.703 -1.803) 2.557 23.493 ( 1.366 4.985 2.043) 5.558 23.502 ( 1.538 4.913 2.103) 5.562 25.983 ( -1.203 2.626 1.590) 3.297 26.063 ( 2.550 0.512 0.625) 2.675 26.496 ( -2.117 -4.551 -5.422) 7.388 26.546 ( -2.883 -5.327 2.302) 6.480 ======================= Grid point 198 (95/100) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 5.161 13.364 -7.291) 16.075 2.920 ( -10.533 14.767 -1.772) 18.225 3.060 ( 2.697 11.479 -7.339) 13.889 3.348 ( -9.617 4.630 -3.073) 11.107 3.405 ( -7.418 5.397 -3.924) 9.978 3.561 ( -18.180 9.583 6.708) 21.618 3.944 ( 1.053 4.854 11.727) 12.735 4.164 ( -0.602 -1.290 -8.493) 8.612 4.253 ( 3.171 12.022 11.376) 16.852 4.396 ( -0.303 -0.817 -0.932) 1.276 4.608 ( 7.031 3.340 0.777) 7.823 4.772 ( 4.927 1.686 5.497) 7.572 4.797 ( 2.451 -2.120 3.181) 4.541 4.924 ( 3.202 4.555 -6.394) 8.478 5.202 ( 0.354 -1.183 -1.400) 1.866 5.258 ( 4.646 1.259 -3.049) 5.698 5.342 ( -2.343 1.372 4.442) 5.206 5.352 ( 0.684 -8.348 3.834) 9.212 5.412 ( -0.041 0.370 10.517) 10.524 5.500 ( 6.676 -1.671 -5.545) 8.837 5.558 ( 0.180 -10.148 -4.925) 11.282 5.728 ( 1.346 3.938 -3.448) 5.405 5.856 ( -2.908 -0.619 -1.478) 3.320 5.924 ( 2.020 -3.696 7.948) 8.995 6.025 ( -3.303 -11.105 -7.006) 13.540 6.188 ( 3.053 -0.186 2.406) 3.892 6.213 ( -0.878 1.147 -3.197) 3.508 6.339 ( 2.781 -2.721 -7.100) 8.096 6.455 ( -1.660 -6.980 5.055) 8.776 6.559 ( 1.173 1.455 -1.991) 2.731 6.727 ( -6.147 3.986 -1.206) 7.425 6.788 ( -4.006 -0.625 -1.639) 4.374 6.955 ( -2.207 4.634 2.498) 5.709 7.012 ( -3.525 -3.125 -3.766) 6.031 7.167 ( 5.456 1.877 4.959) 7.608 7.298 ( 1.171 -3.420 1.627) 3.964 7.474 ( 3.012 8.735 6.275) 11.169 7.571 ( 5.582 -4.591 -3.569) 8.061 7.657 ( -3.288 2.201 -1.420) 4.204 7.837 ( 6.010 0.643 1.565) 6.244 7.942 ( -8.729 -2.389 5.555) 10.619 8.026 ( -0.264 -3.426 -8.494) 9.163 8.133 ( 8.278 5.636 3.910) 10.751 8.217 ( 0.592 8.480 7.279) 11.192 8.282 ( 4.784 12.922 -5.020) 14.665 8.497 ( 5.504 3.458 -5.286) 8.378 8.691 ( -2.283 -4.537 6.798) 8.486 8.757 ( -1.588 -4.514 -3.340) 5.835 8.923 ( -4.069 -2.774 4.779) 6.862 9.029 ( 1.142 5.773 -3.900) 7.060 9.133 ( -0.149 -0.262 -7.585) 7.591 9.326 ( 6.511 5.820 -6.542) 10.912 9.633 ( -1.209 1.738 7.612) 7.901 9.702 ( -5.947 4.816 -9.770) 12.410 9.863 ( -11.624 13.011 6.802) 18.726 9.939 ( -3.714 2.466 3.565) 5.708 10.212 ( 2.976 10.954 -3.166) 11.784 10.289 ( -0.125 0.129 1.983) 1.991 10.343 ( -1.251 5.797 -3.893) 7.094 10.435 ( -0.448 -4.759 5.535) 7.313 10.733 ( -2.487 -4.306 7.987) 9.409 10.795 ( 0.199 -5.537 2.580) 6.112 10.965 ( -11.076 0.195 -2.579) 11.374 11.025 ( -6.814 -3.319 3.955) 8.550 11.125 ( 3.591 -13.629 8.514) 16.466 11.401 ( 4.984 -7.546 -6.749) 11.284 11.508 ( -5.285 -10.614 -3.814) 12.455 11.727 ( -4.755 2.865 -15.719) 16.671 11.823 ( 1.029 -12.708 9.085) 15.655 11.899 ( 7.672 -9.274 -4.722) 12.929 12.214 ( -3.678 -17.118 4.775) 18.148 12.322 ( 0.017 -12.437 -11.445) 16.902 12.887 ( 14.577 -1.208 3.702) 15.088 13.062 ( 9.783 -1.135 2.835) 10.248 13.276 ( 0.981 1.039 3.086) 3.401 13.381 ( 0.581 3.238 -6.160) 6.983 13.598 ( 2.345 -4.853 0.995) 5.481 13.768 ( -6.577 -9.325 2.875) 11.768 14.023 ( 4.691 -1.461 7.916) 9.317 14.233 ( 2.591 -6.484 -1.656) 7.176 14.880 ( 3.241 9.308 -14.547) 17.571 15.143 ( -11.619 10.735 8.890) 18.146 15.390 ( 3.722 -3.009 -7.851) 9.195 15.588 ( -7.537 -0.727 5.018) 9.084 15.989 ( -3.065 12.930 8.568) 15.811 16.042 ( 1.452 13.224 -7.155) 15.106 16.586 ( 2.238 3.542 11.272) 12.026 16.742 ( 3.025 3.755 -7.826) 9.192 16.937 ( -1.685 -3.879 6.107) 7.429 17.111 ( -3.011 -5.726 -5.639) 8.582 17.981 ( 6.682 -5.744 -0.834) 8.851 18.212 ( -0.829 -14.431 -2.291) 14.635 19.368 ( 6.374 2.818 0.752) 7.009 19.600 ( 4.169 -5.189 -4.987) 8.317 20.158 ( -8.724 -2.609 0.207) 9.108 20.271 ( -8.563 -4.193 0.775) 9.566 20.841 ( 4.686 3.269 4.849) 7.494 20.950 ( 2.317 -1.340 -1.954) 3.313 21.848 ( 0.951 0.738 1.284) 1.760 21.877 ( 1.157 -0.006 -1.989) 2.301 22.997 ( -1.102 2.638 -0.003) 2.859 23.010 ( -0.929 2.205 -1.703) 2.937 23.536 ( 1.938 4.279 0.776) 4.761 23.543 ( 0.730 4.300 3.072) 5.335 25.998 ( 0.783 2.056 3.615) 4.232 26.092 ( 0.318 -0.802 -1.222) 1.496 26.429 ( -0.396 -2.213 -5.037) 5.516 26.492 ( -4.393 -3.735 1.642) 5.995 ======================= Grid point 199 (96/100) ======================= q-point: (-0.50 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( -5.145 13.217 -4.111) 14.767 2.721 ( 5.145 13.217 4.111) 14.767 3.147 ( -2.346 5.599 -4.144) 7.350 3.147 ( 2.346 5.599 4.144) 7.350 3.363 ( 6.978 13.747 -8.811) 17.757 3.363 ( -6.978 13.747 8.811) 17.757 4.056 ( -0.960 2.680 -14.010) 14.296 4.056 ( 0.960 2.680 14.010) 14.296 4.349 ( -1.189 1.721 -5.270) 5.670 4.349 ( 1.189 1.721 5.270) 5.670 4.766 ( -2.985 4.492 -10.364) 11.684 4.766 ( 2.985 4.492 10.364) 11.684 4.905 ( -0.495 3.332 -10.559) 11.083 4.905 ( 0.495 3.332 10.559) 11.083 5.224 ( 4.755 -1.992 -3.613) 6.295 5.224 ( -4.755 -1.992 3.613) 6.295 5.334 ( 6.097 0.920 -8.869) 10.802 5.334 ( -6.097 0.920 8.869) 10.802 5.501 ( -1.295 -6.902 -8.087) 10.710 5.501 ( 1.295 -6.902 8.087) 10.710 5.626 ( -0.272 1.387 -0.469) 1.489 5.626 ( 0.272 1.387 0.469) 1.489 5.894 ( -1.463 -6.698 -2.885) 7.439 5.894 ( 1.463 -6.698 2.885) 7.439 6.086 ( -1.678 -3.450 -8.263) 9.110 6.086 ( 1.678 -3.450 8.263) 9.110 6.312 ( -2.462 -3.447 -3.365) 5.410 6.312 ( 2.462 -3.447 3.365) 5.410 6.521 ( -3.029 -2.929 -6.345) 7.617 6.521 ( 3.029 -2.929 6.345) 7.617 6.682 ( -3.289 1.697 -4.294) 5.669 6.682 ( 3.289 1.697 4.294) 5.669 6.955 ( 0.837 2.295 -5.387) 5.915 6.955 ( -0.837 2.295 5.387) 5.915 7.284 ( 0.273 -0.537 -6.344) 6.372 7.284 ( -0.273 -0.537 6.344) 6.372 7.549 ( -0.883 1.898 -6.793) 7.108 7.549 ( 0.883 1.898 6.793) 7.108 7.755 ( -11.760 -6.576 1.200) 13.527 7.755 ( 11.760 -6.576 -1.200) 13.527 7.938 ( -3.511 4.931 -3.322) 6.905 7.938 ( 3.511 4.931 3.322) 6.905 8.259 ( 4.707 12.228 -16.254) 20.878 8.259 ( -4.707 12.228 16.254) 20.878 8.404 ( -10.573 -3.726 -3.189) 11.655 8.404 ( 10.573 -3.726 3.189) 11.655 8.770 ( 2.657 -5.605 -2.771) 6.794 8.770 ( -2.657 -5.605 2.771) 6.794 8.882 ( -7.716 1.170 -12.765) 14.961 8.882 ( 7.716 1.170 12.765) 14.961 9.282 ( -3.989 8.619 -7.024) 11.813 9.282 ( 3.989 8.619 7.024) 11.813 9.621 ( 5.307 7.980 -8.512) 12.818 9.621 ( -5.307 7.980 8.512) 12.818 9.832 ( -4.754 4.984 -3.446) 7.701 9.832 ( 4.754 4.984 3.446) 7.701 10.244 ( 3.574 12.222 -7.338) 14.697 10.244 ( -3.574 12.222 7.338) 14.697 10.413 ( -0.273 -6.991 -1.434) 7.142 10.413 ( 0.273 -6.991 1.434) 7.142 10.779 ( -0.297 -0.108 -7.017) 7.024 10.779 ( 0.297 -0.108 7.017) 7.024 10.901 ( -0.100 -3.813 -7.793) 8.676 10.901 ( 0.100 -3.813 7.793) 8.676 11.323 ( -7.953 -13.604 -11.567) 19.548 11.323 ( 7.953 -13.604 11.567) 19.548 11.516 ( -7.397 -3.029 -7.152) 10.726 11.516 ( 7.397 -3.029 7.152) 10.726 11.919 ( 0.477 -11.713 -9.321) 14.977 11.919 ( -0.477 -11.713 9.321) 14.977 12.236 ( -0.212 -14.371 -9.630) 17.300 12.236 ( 0.212 -14.371 9.630) 17.300 13.141 ( -5.075 1.704 -7.741) 9.412 13.141 ( 5.075 1.704 7.741) 9.412 13.293 ( -5.402 7.258 -3.312) 9.635 13.293 ( 5.402 7.258 3.312) 9.635 13.667 ( 1.661 -11.021 -3.464) 11.671 13.667 ( -1.661 -11.021 3.464) 11.671 14.172 ( -5.653 -7.763 -4.416) 10.570 14.172 ( 5.653 -7.763 4.416) 10.570 14.963 ( 13.140 11.317 -9.869) 19.953 14.963 ( -13.140 11.317 9.869) 19.953 15.469 ( 8.493 -2.336 -5.110) 10.183 15.469 ( -8.493 -2.336 5.110) 10.183 16.012 ( 3.217 13.306 -11.723) 18.023 16.012 ( -3.217 13.306 11.723) 18.023 16.696 ( 1.025 2.515 -12.813) 13.098 16.696 ( -1.025 2.515 12.813) 13.098 16.999 ( -3.006 -3.654 -7.595) 8.948 16.999 ( 3.006 -3.654 7.595) 8.948 18.120 ( -6.713 -10.787 -2.898) 13.032 18.120 ( 6.713 -10.787 2.898) 13.032 19.523 ( -8.075 0.812 -3.075) 8.679 19.523 ( 8.075 0.812 3.075) 8.679 20.142 ( -2.890 -5.999 -1.187) 6.764 20.142 ( 2.890 -5.999 1.187) 6.764 20.931 ( -0.512 1.521 -5.637) 5.861 20.931 ( 0.512 1.521 5.637) 5.861 21.872 ( 0.960 0.241 -3.811) 3.937 21.872 ( -0.960 0.241 3.811) 3.937 22.991 ( 0.353 2.606 -1.534) 3.045 22.991 ( -0.353 2.606 1.534) 3.045 23.560 ( 1.362 3.999 -3.120) 5.252 23.560 ( -1.362 3.999 3.120) 5.252 26.053 ( -0.843 0.261 -5.321) 5.393 26.053 ( 0.843 0.261 5.321) 5.393 26.432 ( 2.677 -2.084 -3.183) 4.652 26.432 ( -2.677 -2.084 3.183) 4.652 ======================= Grid point 203 (97/100) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( -9.637 2.590 -9.871) 14.037 3.104 ( 9.637 2.590 9.871) 14.037 3.286 ( -8.674 -2.033 -0.842) 8.949 3.286 ( 8.674 -2.033 0.842) 8.949 3.915 ( -3.272 8.944 -8.868) 13.014 3.915 ( 3.272 8.944 8.868) 13.014 4.193 ( -8.551 1.340 -0.585) 8.676 4.193 ( 8.551 1.340 0.585) 8.676 4.364 ( 4.839 10.222 -6.385) 12.987 4.364 ( -4.839 10.222 6.385) 12.987 4.554 ( 3.421 -7.847 -5.563) 10.209 4.554 ( -3.421 -7.847 5.563) 10.209 4.787 ( 2.352 -2.045 -7.903) 8.496 4.787 ( -2.352 -2.045 7.903) 8.496 4.901 ( -1.271 -4.239 -11.060) 11.912 4.901 ( 1.271 -4.239 11.060) 11.912 5.218 ( -0.682 4.153 -1.972) 4.648 5.218 ( 0.682 4.153 1.972) 4.648 5.450 ( 0.739 -8.129 -4.744) 9.441 5.450 ( -0.739 -8.129 4.744) 9.441 5.653 ( -0.605 10.993 -6.329) 12.699 5.653 ( 0.605 10.993 6.329) 12.699 5.834 ( 3.202 -4.348 -3.709) 6.551 5.834 ( -3.202 -4.348 3.709) 6.551 6.185 ( 0.379 -3.022 -4.132) 5.133 6.185 ( -0.379 -3.022 4.132) 5.133 6.340 ( 1.576 -2.588 -2.134) 3.706 6.340 ( -1.576 -2.588 2.134) 3.706 6.518 ( -1.287 -0.703 -2.271) 2.703 6.518 ( 1.287 -0.703 2.271) 2.703 6.739 ( -1.248 0.929 -1.547) 2.194 6.739 ( 1.248 0.929 1.547) 2.194 6.905 ( -0.547 -2.069 -1.237) 2.472 6.905 ( 0.547 -2.069 1.237) 2.472 7.120 ( -0.293 -3.745 -2.697) 4.624 7.120 ( 0.293 -3.745 2.697) 4.624 7.696 ( -2.227 7.500 -3.675) 8.644 7.696 ( 2.227 7.500 3.675) 8.644 7.802 ( -5.836 5.011 -7.363) 10.648 7.802 ( 5.836 5.011 7.363) 10.648 7.960 ( -3.595 -2.344 -4.170) 5.984 7.960 ( 3.595 -2.344 4.170) 5.984 8.403 ( 5.045 8.794 -7.810) 12.798 8.403 ( -5.045 8.794 7.810) 12.798 8.449 ( -0.237 7.000 -10.126) 12.312 8.449 ( 0.237 7.000 10.126) 12.312 8.648 ( -9.504 -2.583 -4.846) 10.976 8.648 ( 9.504 -2.583 4.846) 10.976 9.054 ( -0.217 5.556 -2.152) 5.963 9.054 ( 0.217 5.556 2.152) 5.963 9.194 ( -7.292 0.515 -2.881) 7.857 9.194 ( 7.292 0.515 2.881) 7.857 9.794 ( -9.371 -8.234 -6.137) 13.903 9.794 ( 9.371 -8.234 6.137) 13.903 9.906 ( 0.966 6.954 -6.707) 9.709 9.906 ( -0.966 6.954 6.707) 9.709 10.141 ( -2.729 -17.376 -3.551) 17.944 10.141 ( 2.729 -17.376 3.551) 17.944 10.500 ( 1.776 10.664 -9.755) 14.561 10.500 ( -1.776 10.664 9.755) 14.561 10.831 ( 1.692 -7.246 -5.952) 9.528 10.831 ( -1.692 -7.246 5.952) 9.528 11.048 ( -9.985 0.492 -2.618) 10.334 11.048 ( 9.985 0.492 2.618) 10.334 11.153 ( -7.958 -1.290 -1.535) 8.206 11.153 ( 7.958 -1.290 1.535) 8.206 11.535 ( 2.749 -1.667 -5.064) 5.999 11.535 ( -2.749 -1.667 5.064) 5.999 11.829 ( 7.924 2.289 -11.877) 14.460 11.829 ( -7.924 2.289 11.877) 14.460 12.038 ( 7.884 -13.074 -10.078) 18.294 12.038 ( -7.884 -13.074 10.078) 18.294 12.743 ( -4.219 1.304 -4.256) 6.133 12.743 ( 4.219 1.304 4.256) 6.133 13.048 ( -2.140 -4.463 -3.474) 6.047 13.048 ( 2.140 -4.463 3.474) 6.047 13.736 ( -1.479 1.223 -1.924) 2.717 13.736 ( 1.479 1.223 1.924) 2.717 13.997 ( 3.372 0.133 -2.238) 4.049 13.997 ( -3.372 0.133 2.238) 4.049 15.328 ( -1.205 6.503 -12.249) 13.920 15.328 ( 1.205 6.503 12.249) 13.920 15.505 ( -1.584 -3.946 -11.336) 12.107 15.505 ( 1.584 -3.946 11.336) 12.107 16.242 ( 2.752 5.721 -6.553) 9.124 16.242 ( -2.752 5.721 6.553) 9.124 16.687 ( 4.566 6.341 -7.337) 10.718 16.687 ( -4.566 6.341 7.337) 10.718 16.929 ( 3.254 -7.116 -4.727) 9.142 16.929 ( -3.254 -7.116 4.727) 9.142 17.925 ( -1.169 -3.163 -2.374) 4.124 17.925 ( 1.169 -3.163 2.374) 4.124 19.341 ( -0.636 -0.887 -0.458) 1.184 19.341 ( 0.636 -0.887 0.458) 1.184 20.585 ( -8.947 1.474 -3.662) 9.779 20.585 ( 8.947 1.474 3.662) 9.779 20.621 ( -9.787 -2.166 -3.508) 10.620 20.621 ( 9.787 -2.166 3.508) 10.620 21.846 ( 0.276 0.233 -0.653) 0.747 21.846 ( -0.276 0.233 0.653) 0.747 23.069 ( 0.264 0.601 -0.360) 0.749 23.069 ( -0.264 0.601 0.360) 0.749 23.546 ( 0.292 1.916 -0.826) 2.107 23.546 ( -0.292 1.916 0.826) 2.107 26.044 ( -0.440 0.996 -0.662) 1.274 26.044 ( 0.440 0.996 0.662) 1.274 26.469 ( 0.018 -2.359 -1.719) 2.919 26.469 ( -0.018 -2.359 1.719) 2.919 ======================= Grid point 205 (98/100) ======================= q-point: ( 0.17 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( -5.671 11.705 -5.527) 14.132 3.104 ( -7.345 -8.220 2.896) 11.398 3.323 ( -0.437 4.469 5.825) 7.355 3.428 ( 1.344 -4.875 3.856) 6.359 3.759 ( -2.406 17.587 -10.272) 20.509 3.933 ( -5.534 2.732 4.826) 7.834 4.014 ( -7.748 8.360 0.243) 11.401 4.169 ( -5.450 -5.903 -5.017) 9.471 4.379 ( 1.203 9.090 8.182) 12.289 4.430 ( 0.931 6.837 -0.892) 6.957 4.565 ( -0.534 -7.130 9.195) 11.648 4.577 ( 2.417 -4.953 -6.020) 8.162 4.739 ( 0.947 1.942 3.042) 3.731 4.830 ( 5.517 -5.934 -5.346) 9.707 5.008 ( 11.549 -3.021 0.190) 11.939 5.043 ( 5.069 -6.336 7.883) 11.313 5.241 ( 4.351 2.642 0.981) 5.184 5.277 ( 3.121 3.863 4.975) 7.030 5.445 ( 1.154 -6.307 -1.999) 6.717 5.458 ( -3.098 -3.762 4.668) 6.748 5.586 ( 0.444 8.581 -8.945) 12.404 5.676 ( -1.491 7.955 2.228) 8.395 5.811 ( -0.801 -3.466 2.063) 4.112 5.850 ( -0.130 -12.882 -3.440) 13.334 6.113 ( -3.826 4.371 -7.024) 9.115 6.166 ( -1.056 -0.179 1.549) 1.883 6.291 ( -2.983 -1.164 -4.111) 5.211 6.342 ( -0.194 -4.080 -0.350) 4.099 6.430 ( -5.389 2.151 -5.352) 7.894 6.513 ( -1.431 -5.218 -3.325) 6.351 6.761 ( 3.615 3.824 3.931) 6.568 6.832 ( 4.775 -2.427 1.713) 5.624 6.938 ( 1.710 1.111 2.618) 3.319 6.995 ( 5.983 -5.240 2.092) 8.224 7.103 ( -0.411 0.788 4.167) 4.260 7.164 ( 1.468 -4.314 3.813) 5.942 7.554 ( -7.600 6.362 -8.008) 12.742 7.674 ( -4.236 5.142 -5.704) 8.770 7.743 ( -2.447 -2.784 -5.789) 6.874 7.782 ( 2.946 2.712 -0.785) 4.080 7.976 ( -4.874 3.012 0.799) 5.785 8.047 ( 1.152 -1.476 8.531) 8.734 8.209 ( -8.084 8.723 3.075) 12.284 8.325 ( 2.574 -0.474 7.563) 8.003 8.461 ( -3.313 6.531 -2.993) 7.911 8.532 ( 2.039 -1.600 -2.853) 3.855 8.664 ( 5.927 12.115 -3.296) 13.884 8.820 ( -1.805 -5.267 3.232) 6.438 8.951 ( -1.681 7.689 -0.650) 7.898 9.050 ( 1.141 -0.795 -1.011) 1.720 9.214 ( 8.721 9.524 -3.838) 13.471 9.342 ( 8.295 0.592 -5.732) 10.100 9.623 ( -4.619 2.288 -0.540) 5.183 9.829 ( -2.664 -5.005 -5.382) 7.818 9.970 ( 3.228 8.181 4.870) 10.053 10.029 ( 6.367 -11.883 -0.778) 13.503 10.099 ( 4.645 -8.342 -0.875) 9.588 10.256 ( 6.676 -15.696 8.166) 18.911 10.432 ( -7.365 13.857 3.379) 16.053 10.476 ( -3.817 8.545 1.423) 9.466 10.779 ( -11.105 5.999 -0.490) 12.631 10.836 ( -5.881 -6.552 -1.240) 8.891 10.850 ( -5.213 -7.955 8.496) 12.752 10.911 ( -7.285 -6.374 3.185) 10.190 11.168 ( -0.670 1.324 -0.026) 1.484 11.265 ( 3.380 -7.826 -10.840) 13.790 11.540 ( 0.331 1.020 1.873) 2.159 11.606 ( 4.757 -5.756 0.517) 7.485 11.639 ( -9.691 7.241 7.454) 14.210 11.910 ( -6.427 -17.944 4.690) 19.629 12.013 ( 2.992 4.002 -10.904) 11.994 12.136 ( 8.007 -8.756 -10.308) 15.718 12.661 ( 4.321 3.180 0.467) 5.385 12.772 ( 3.142 -7.438 3.325) 8.732 13.142 ( 10.149 2.275 1.689) 10.537 13.220 ( 10.224 -5.510 -0.032) 11.615 13.676 ( -4.210 3.319 -0.906) 5.437 13.742 ( -3.305 -3.661 1.437) 5.137 14.004 ( 1.442 4.909 4.800) 7.015 14.079 ( 5.677 -2.777 -0.091) 6.321 15.177 ( -2.469 8.464 -16.404) 18.623 15.310 ( -1.744 -3.654 -10.411) 11.171 15.455 ( -3.995 6.036 7.655) 10.535 15.579 ( -3.310 -5.289 10.654) 12.346 16.214 ( -3.179 7.073 3.706) 8.594 16.241 ( -0.254 4.623 -0.667) 4.678 16.630 ( -3.323 7.431 5.724) 9.951 16.759 ( 2.353 -1.464 -0.511) 2.818 16.875 ( -0.950 -0.184 -0.119) 0.975 16.993 ( 3.823 -8.215 -4.275) 10.019 17.899 ( 0.481 0.417 -1.864) 1.970 17.971 ( 2.004 -7.103 0.931) 7.439 19.346 ( 2.745 2.100 -0.821) 3.552 19.401 ( 5.799 -3.795 -1.743) 7.146 20.373 ( -12.695 0.448 -2.316) 12.913 20.396 ( -11.724 -1.716 -1.404) 11.932 20.762 ( 7.564 2.518 3.632) 8.761 20.810 ( 8.013 -2.604 2.226) 8.714 21.848 ( 0.719 0.795 -0.318) 1.118 21.859 ( 1.288 -0.349 -0.831) 1.572 23.055 ( -1.014 0.939 -0.605) 1.509 23.060 ( -0.662 0.446 -1.129) 1.383 23.562 ( 1.219 1.989 1.370) 2.705 23.566 ( 1.084 1.622 1.988) 2.785 26.032 ( -0.505 2.219 0.552) 2.342 26.062 ( 0.708 -0.794 0.480) 1.167 26.442 ( -1.192 -0.899 -2.340) 2.776 26.463 ( -1.510 -2.963 0.657) 3.389 ======================= Grid point 206 (99/100) ======================= q-point: ( 0.33 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 2.758 13.323 -0.253) 13.608 3.042 ( -2.885 -4.156 5.178) 7.239 3.195 ( -10.966 6.760 -1.466) 12.966 3.329 ( -11.431 -5.587 0.079) 12.723 3.716 ( 3.719 21.593 -11.205) 24.610 3.839 ( -7.947 15.737 5.098) 18.352 3.987 ( 0.152 -3.053 6.999) 7.637 4.078 ( 0.257 -9.081 -7.819) 11.986 4.386 ( -2.414 3.741 -2.679) 5.196 4.422 ( -4.619 1.757 4.873) 6.940 4.629 ( 7.182 -1.067 4.071) 8.324 4.671 ( 4.764 -6.465 8.462) 11.667 4.831 ( 5.640 3.054 2.738) 6.974 4.914 ( 4.865 -4.675 -1.850) 6.997 5.138 ( 0.939 -4.120 6.188) 7.493 5.155 ( 2.357 -3.755 0.913) 4.526 5.336 ( -0.475 3.607 1.597) 3.973 5.380 ( 5.694 3.075 -2.454) 6.921 5.413 ( -0.082 -0.142 1.758) 1.766 5.497 ( 7.645 -2.076 -0.680) 7.951 5.561 ( -0.745 4.455 -1.309) 4.703 5.665 ( 1.265 -0.563 0.023) 1.385 5.780 ( 0.938 -10.903 -6.396) 12.676 5.842 ( -2.107 -6.580 3.695) 7.835 5.976 ( -6.744 9.600 -2.670) 12.032 6.147 ( -3.528 -5.659 -3.917) 7.734 6.233 ( 0.704 2.495 -3.067) 4.016 6.281 ( -6.349 -3.942 -1.542) 7.631 6.353 ( 0.174 -0.778 1.579) 1.768 6.425 ( -3.409 -9.763 -6.215) 12.065 6.841 ( 1.796 8.509 0.961) 8.750 6.901 ( 0.623 5.564 0.844) 5.662 6.960 ( 1.708 1.034 1.819) 2.701 7.065 ( 1.125 -1.519 -2.902) 3.463 7.160 ( 0.588 -0.860 7.569) 7.641 7.216 ( 2.645 -2.576 -1.314) 3.919 7.440 ( 1.188 -1.896 -5.349) 5.798 7.539 ( -6.513 -7.845 1.225) 10.269 7.666 ( -1.469 5.995 -2.174) 6.544 7.803 ( -7.033 -7.681 -4.009) 11.159 7.921 ( 4.220 5.525 3.848) 7.946 8.012 ( 0.356 -2.661 2.016) 3.358 8.324 ( 1.062 11.051 10.923) 15.574 8.399 ( 0.363 6.705 -1.459) 6.871 8.469 ( 5.579 2.273 -6.839) 9.114 8.507 ( -4.022 -5.207 3.983) 7.691 8.637 ( 0.149 3.570 -1.019) 3.716 8.723 ( -3.857 -3.903 6.553) 8.547 8.917 ( -4.409 10.325 -1.043) 11.276 9.098 ( -1.455 -2.556 -8.621) 9.109 9.313 ( 10.427 11.913 -6.228) 17.012 9.420 ( 7.457 1.727 -10.178) 12.736 9.673 ( 6.113 4.658 3.482) 8.438 9.742 ( -1.188 1.694 -1.034) 2.313 10.018 ( 1.584 4.036 -5.044) 6.651 10.095 ( 2.527 -6.795 -1.781) 7.465 10.218 ( 1.285 4.483 6.340) 7.871 10.272 ( -11.507 7.984 11.255) 17.968 10.469 ( 0.914 -11.254 9.341) 14.654 10.474 ( 5.324 1.112 0.764) 5.492 10.563 ( -5.309 8.090 -2.040) 9.890 10.715 ( -3.512 -5.733 -2.621) 7.216 10.815 ( -8.345 -10.524 9.542) 16.476 10.895 ( -1.276 -9.531 -0.193) 9.618 11.088 ( -3.332 8.044 2.851) 9.162 11.248 ( 3.538 -7.862 -3.723) 9.390 11.450 ( -9.867 6.578 -0.857) 11.890 11.629 ( -3.915 -8.886 1.306) 9.798 11.669 ( 4.405 -5.611 -2.197) 7.464 11.771 ( -6.739 -9.882 1.608) 12.068 11.968 ( 2.148 0.131 -8.134) 8.414 12.099 ( -1.094 -9.777 -12.384) 15.817 12.910 ( 16.811 3.421 6.695) 18.416 12.995 ( 14.225 -4.737 5.176) 15.862 13.309 ( 6.682 2.869 1.602) 7.446 13.373 ( 8.070 -3.191 -1.023) 8.738 13.575 ( -6.553 1.849 -0.132) 6.810 13.638 ( -8.598 -4.654 0.328) 9.782 14.050 ( -0.496 3.698 2.342) 4.405 14.135 ( -0.531 -4.656 -0.962) 4.784 15.087 ( 6.055 10.829 -13.956) 18.674 15.258 ( 4.649 -5.130 -8.836) 11.226 15.382 ( -9.750 7.489 6.345) 13.835 15.525 ( -9.636 -5.752 7.499) 13.497 16.204 ( -1.804 7.779 5.999) 9.988 16.235 ( 0.472 5.138 -1.849) 5.481 16.653 ( 0.519 4.630 6.983) 8.394 16.769 ( -0.602 -4.607 -0.068) 4.646 16.877 ( 1.034 2.442 -0.719) 2.747 16.987 ( -0.449 -6.796 -5.695) 8.879 17.920 ( 2.616 -0.059 -0.610) 2.687 17.993 ( 0.033 -7.786 -0.324) 7.793 19.428 ( 6.890 3.539 -0.493) 7.762 19.506 ( 6.707 -4.507 -2.385) 8.426 20.143 ( -10.875 1.034 -0.521) 10.937 20.191 ( -10.754 -3.692 -0.195) 11.372 20.893 ( 4.524 2.131 2.825) 5.744 20.926 ( 3.915 -1.347 0.544) 4.176 21.863 ( 0.994 0.709 -0.113) 1.226 21.874 ( 0.946 -0.385 -0.988) 1.421 23.033 ( -0.767 1.077 -0.559) 1.435 23.038 ( -0.775 0.629 -0.970) 1.392 23.596 ( 1.390 1.770 0.973) 2.452 23.600 ( 0.772 1.440 2.191) 2.733 26.036 ( 0.259 1.912 1.378) 2.371 26.069 ( -0.053 -1.486 -0.292) 1.515 26.407 ( -0.588 0.082 -1.990) 2.077 26.432 ( -2.141 -2.354 0.224) 3.190 ======================= Grid point 207 (100/100) ======================= q-point: (-0.50 0.44 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( -6.349 10.740 -1.195) 12.533 2.961 ( 6.349 10.740 1.195) 12.533 3.144 ( -6.706 -4.695 -1.612) 8.343 3.144 ( 6.706 -4.695 1.612) 8.343 3.745 ( 7.312 21.373 -8.573) 24.161 3.745 ( -7.312 21.373 8.573) 24.161 4.039 ( 1.918 -7.040 -10.166) 12.513 4.039 ( -1.918 -7.040 10.166) 12.513 4.365 ( 2.587 0.970 -2.772) 3.914 4.365 ( -2.587 0.970 2.772) 3.914 4.751 ( -0.815 -4.129 -2.590) 4.942 4.751 ( 0.815 -4.129 2.590) 4.942 4.934 ( -1.575 -0.686 -3.271) 3.695 4.934 ( 1.575 -0.686 3.271) 3.695 5.157 ( 0.758 -1.832 -3.564) 4.078 5.157 ( -0.758 -1.832 3.564) 4.078 5.343 ( -0.758 0.752 -3.930) 4.072 5.343 ( 0.758 0.752 3.930) 4.072 5.496 ( 4.347 4.353 -2.671) 6.706 5.496 ( -4.347 4.353 2.671) 6.706 5.679 ( 1.323 -2.816 -3.187) 4.453 5.679 ( -1.323 -2.816 3.187) 4.453 5.767 ( 1.166 0.989 -2.364) 2.815 5.767 ( -1.166 0.989 2.364) 2.815 5.996 ( -6.826 -5.882 -6.750) 11.259 5.996 ( 6.826 -5.882 6.750) 11.259 6.219 ( 1.250 -7.167 -2.506) 7.695 6.219 ( -1.250 -7.167 2.506) 7.695 6.372 ( 0.682 -2.840 -4.429) 5.305 6.372 ( -0.682 -2.840 4.429) 5.305 6.870 ( 0.785 11.607 -3.168) 12.057 6.870 ( -0.785 11.607 3.168) 12.057 7.026 ( -1.927 1.483 -2.931) 3.808 7.026 ( 1.927 1.483 2.931) 3.808 7.213 ( 0.493 -3.566 -6.809) 7.703 7.213 ( -0.493 -3.566 6.809) 7.703 7.474 ( 5.189 -8.265 -6.846) 11.921 7.474 ( -5.189 -8.265 6.846) 11.921 7.675 ( -3.785 -0.345 -0.113) 3.802 7.675 ( 3.785 -0.345 0.113) 3.802 8.022 ( -1.891 1.795 -2.935) 3.926 8.022 ( 1.891 1.795 2.935) 3.926 8.375 ( -1.967 2.345 -7.416) 8.023 8.375 ( 1.967 2.345 7.416) 8.023 8.435 ( 1.677 0.963 -4.835) 5.207 8.435 ( -1.677 0.963 4.835) 5.207 8.764 ( -6.167 7.089 -5.352) 10.813 8.764 ( 6.167 7.089 5.352) 10.813 8.906 ( -7.298 -1.586 -13.940) 15.814 8.906 ( 7.298 -1.586 13.940) 15.814 9.428 ( -0.891 5.080 -4.676) 6.962 9.428 ( 0.891 5.080 4.676) 6.962 9.771 ( 3.137 6.489 -4.541) 8.518 9.771 ( -3.137 6.489 4.541) 8.518 10.012 ( 2.128 7.081 -4.651) 8.735 10.012 ( -2.128 7.081 4.651) 8.735 10.249 ( -0.466 -0.230 -1.751) 1.826 10.249 ( 0.466 -0.230 1.751) 1.826 10.459 ( 1.015 0.958 -7.279) 7.412 10.459 ( -1.015 0.958 7.279) 7.412 10.666 ( 0.308 -5.001 -13.048) 13.977 10.666 ( -0.308 -5.001 13.048) 13.977 10.798 ( -0.384 -8.487 -10.962) 13.869 10.798 ( 0.384 -8.487 10.962) 13.869 11.200 ( -7.442 3.769 -9.508) 12.649 11.200 ( 7.442 3.769 9.508) 12.649 11.426 ( -7.603 -6.871 -9.428) 13.925 11.426 ( 7.603 -6.871 9.428) 13.925 11.739 ( 0.547 -5.970 -6.297) 8.695 11.739 ( -0.547 -5.970 6.297) 8.695 11.997 ( -2.356 -7.401 -5.269) 9.385 11.997 ( 2.356 -7.401 5.269) 9.385 13.160 ( -1.500 0.487 -4.175) 4.463 13.160 ( 1.500 0.487 4.175) 4.463 13.416 ( -4.950 5.148 -3.263) 7.852 13.416 ( 4.950 5.148 3.263) 7.852 13.508 ( -0.500 -5.522 -4.491) 7.135 13.508 ( 0.500 -5.522 4.491) 7.135 14.068 ( -2.858 -2.921 -2.009) 4.553 14.068 ( 2.858 -2.921 2.009) 4.553 15.192 ( 12.598 10.958 -9.300) 19.113 15.192 ( -12.598 10.958 9.300) 19.112 15.382 ( 11.006 -6.605 -7.514) 14.873 15.382 ( -11.006 -6.605 7.514) 14.873 16.223 ( 1.737 6.968 -6.589) 9.746 16.223 ( -1.737 6.968 6.589) 9.746 16.725 ( 0.642 0.647 -9.330) 9.374 16.725 ( -0.642 0.647 9.330) 9.374 16.920 ( -1.765 -3.306 -5.427) 6.595 16.920 ( 1.765 -3.306 5.427) 6.595 17.967 ( -2.312 -4.317 -0.581) 4.932 17.967 ( 2.312 -4.317 0.581) 4.932 19.538 ( -3.034 0.496 -1.219) 3.307 19.538 ( 3.034 0.496 1.219) 3.307 20.055 ( -1.776 -2.503 -0.475) 3.106 20.055 ( 1.776 -2.503 0.475) 3.106 20.953 ( -0.129 0.619 -1.781) 1.890 20.953 ( 0.129 0.619 1.781) 1.890 21.875 ( 0.347 0.114 -1.323) 1.373 21.875 ( -0.347 0.114 1.323) 1.373 23.025 ( 0.057 0.925 -0.361) 0.995 23.025 ( -0.057 0.925 0.361) 0.995 23.614 ( 0.506 1.513 -1.073) 1.923 23.614 ( -0.506 1.513 1.073) 1.923 26.056 ( -0.230 0.056 -1.887) 1.902 26.056 ( 0.230 0.056 1.887) 1.902 26.403 ( 0.850 -0.829 -1.188) 1.679 26.403 ( -0.850 -0.829 1.188) 1.679 =================== 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 3/34992 10.0 3768.687 2341.555 1467.815 0.000 57.508 0.000 3/34992 20.0 1168.457 1123.548 1295.219 0.000 -60.234 0.000 3/34992 30.0 328.961 332.787 430.232 0.000 -5.507 0.000 3/34992 40.0 129.761 135.880 181.403 0.000 -0.225 0.000 3/34992 50.0 66.872 71.657 96.350 0.000 0.527 0.000 3/34992 60.0 41.051 44.577 59.938 0.000 0.546 0.000 3/34992 70.0 28.256 30.922 41.491 0.000 0.451 0.000 3/34992 80.0 21.027 23.123 30.941 0.000 0.358 0.000 3/34992 90.0 16.537 18.248 24.344 0.000 0.284 0.000 3/34992 100.0 13.543 14.988 19.928 0.000 0.228 0.000 3/34992 110.0 11.434 12.687 16.811 0.000 0.186 0.000 3/34992 120.0 9.883 10.994 14.516 0.000 0.154 0.000 3/34992 130.0 8.700 9.703 12.766 0.000 0.129 0.000 3/34992 140.0 7.773 8.691 11.394 0.000 0.109 0.000 3/34992 150.0 7.028 7.878 10.291 0.000 0.093 0.000 3/34992 160.0 6.417 7.211 9.388 0.000 0.080 0.000 3/34992 170.0 5.907 6.654 8.636 0.000 0.070 0.000 3/34992 180.0 5.476 6.183 7.999 0.000 0.061 0.000 3/34992 190.0 5.107 5.778 7.454 0.000 0.053 0.000 3/34992 200.0 4.786 5.426 6.981 0.000 0.047 0.000 3/34992 210.0 4.506 5.118 6.568 0.000 0.041 0.000 3/34992 220.0 4.258 4.845 6.204 0.000 0.037 0.000 3/34992 230.0 4.038 4.602 5.880 0.000 0.032 0.000 3/34992 240.0 3.841 4.384 5.590 0.000 0.029 0.000 3/34992 250.0 3.663 4.187 5.328 0.000 0.026 0.000 3/34992 260.0 3.502 4.008 5.092 0.000 0.023 0.000 3/34992 270.0 3.355 3.844 4.876 0.000 0.020 0.000 3/34992 280.0 3.221 3.694 4.680 0.000 0.018 0.000 3/34992 290.0 3.097 3.556 4.499 0.000 0.016 0.000 3/34992 300.0 2.984 3.429 4.332 0.000 0.014 0.000 3/34992 310.0 2.878 3.311 4.178 0.000 0.013 0.000 3/34992 320.0 2.781 3.201 4.035 0.000 0.012 0.000 3/34992 330.0 2.690 3.098 3.902 0.000 0.010 0.000 3/34992 340.0 2.605 3.002 3.778 0.000 0.009 0.000 3/34992 350.0 2.525 2.912 3.662 0.000 0.008 0.000 3/34992 360.0 2.451 2.828 3.553 0.000 0.007 0.000 3/34992 370.0 2.380 2.748 3.450 0.000 0.006 0.000 3/34992 380.0 2.314 2.673 3.354 0.000 0.006 0.000 3/34992 390.0 2.252 2.602 3.263 0.000 0.005 0.000 3/34992 400.0 2.193 2.535 3.177 0.000 0.004 0.000 3/34992 410.0 2.137 2.471 3.095 0.000 0.004 0.000 3/34992 420.0 2.084 2.411 3.018 0.000 0.003 0.000 3/34992 430.0 2.034 2.353 2.945 0.000 0.003 0.000 3/34992 440.0 1.986 2.299 2.875 0.000 0.002 0.000 3/34992 450.0 1.940 2.247 2.808 0.000 0.002 0.000 3/34992 460.0 1.896 2.197 2.745 0.000 0.002 0.000 3/34992 470.0 1.855 2.149 2.685 0.000 0.001 0.000 3/34992 480.0 1.815 2.103 2.627 0.000 0.001 0.000 3/34992 490.0 1.777 2.060 2.571 0.000 0.001 0.000 3/34992 500.0 1.740 2.018 2.518 0.000 0.000 0.000 3/34992 510.0 1.705 1.978 2.468 0.000 0.000 0.000 3/34992 520.0 1.672 1.939 2.419 0.000 -0.000 0.000 3/34992 530.0 1.640 1.902 2.372 0.000 -0.000 0.000 3/34992 540.0 1.609 1.867 2.327 0.000 -0.000 0.000 3/34992 550.0 1.579 1.832 2.284 0.000 -0.001 0.000 3/34992 560.0 1.550 1.799 2.242 0.000 -0.001 0.000 3/34992 570.0 1.522 1.767 2.202 0.000 -0.001 0.000 3/34992 580.0 1.496 1.737 2.163 0.000 -0.001 0.000 3/34992 590.0 1.470 1.707 2.126 0.000 -0.001 0.000 3/34992 600.0 1.445 1.678 2.090 0.000 -0.001 0.000 3/34992 610.0 1.421 1.650 2.055 0.000 -0.001 0.000 3/34992 620.0 1.398 1.624 2.021 0.000 -0.001 0.000 3/34992 630.0 1.375 1.598 1.989 0.000 -0.002 0.000 3/34992 640.0 1.354 1.573 1.957 0.000 -0.002 0.000 3/34992 650.0 1.333 1.548 1.927 0.000 -0.002 0.000 3/34992 660.0 1.312 1.525 1.897 0.000 -0.002 0.000 3/34992 670.0 1.292 1.502 1.868 0.000 -0.002 0.000 3/34992 680.0 1.273 1.480 1.840 0.000 -0.002 0.000 3/34992 690.0 1.254 1.458 1.813 0.000 -0.002 0.000 3/34992 700.0 1.236 1.437 1.787 0.000 -0.002 0.000 3/34992 710.0 1.219 1.417 1.762 0.000 -0.002 0.000 3/34992 720.0 1.202 1.397 1.737 0.000 -0.002 0.000 3/34992 730.0 1.185 1.378 1.713 0.000 -0.002 0.000 3/34992 740.0 1.169 1.359 1.690 0.000 -0.002 0.000 3/34992 750.0 1.153 1.341 1.667 0.000 -0.002 0.000 3/34992 760.0 1.138 1.323 1.645 0.000 -0.002 0.000 3/34992 770.0 1.123 1.306 1.623 0.000 -0.002 0.000 3/34992 780.0 1.109 1.289 1.602 0.000 -0.002 0.000 3/34992 790.0 1.094 1.273 1.582 0.000 -0.002 0.000 3/34992 800.0 1.081 1.257 1.562 0.000 -0.002 0.000 3/34992 810.0 1.067 1.241 1.542 0.000 -0.002 0.000 3/34992 820.0 1.054 1.226 1.523 0.000 -0.002 0.000 3/34992 830.0 1.041 1.211 1.505 0.000 -0.002 0.000 3/34992 840.0 1.029 1.197 1.487 0.000 -0.002 0.000 3/34992 850.0 1.017 1.183 1.469 0.000 -0.002 0.000 3/34992 860.0 1.005 1.169 1.452 0.000 -0.002 0.000 3/34992 870.0 0.993 1.156 1.435 0.000 -0.002 0.000 3/34992 880.0 0.982 1.142 1.419 0.000 -0.002 0.000 3/34992 890.0 0.971 1.130 1.403 0.000 -0.002 0.000 3/34992 900.0 0.960 1.117 1.387 0.000 -0.002 0.000 3/34992 910.0 0.949 1.105 1.372 0.000 -0.002 0.000 3/34992 920.0 0.939 1.093 1.357 0.000 -0.002 0.000 3/34992 930.0 0.929 1.081 1.342 0.000 -0.002 0.000 3/34992 940.0 0.919 1.069 1.328 0.000 -0.002 0.000 3/34992 950.0 0.909 1.058 1.314 0.000 -0.002 0.000 3/34992 960.0 0.900 1.047 1.300 0.000 -0.002 0.000 3/34992 970.0 0.890 1.036 1.286 0.000 -0.002 0.000 3/34992 980.0 0.881 1.026 1.273 0.000 -0.002 0.000 3/34992 990.0 0.872 1.015 1.260 0.000 -0.002 0.000 3/34992 1000.0 0.864 1.005 1.248 0.000 -0.002 0.000 3/34992 Thermal conductivity related properties were written into "kappa-m696.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:16:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|