----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:26:03]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.581062710644719 0.000000000000000 0.000000000000000 b 0.000000000000000 18.385622580000003 0.000000000000000 c -2.751165342216410 0.000000000000000 6.905689660694478 Atomic positions (fractional): *1 Ge 0.71146940949184 0.62795956357680 0.52805758454067 72.640 2 Ge 0.28853059050816 0.12795956357680 0.97194241545933 72.640 3 Ge 0.71146940949184 0.87204043642320 0.02805758454067 72.640 4 Ge 0.28853059050816 0.37204043642320 0.47194241545933 72.640 *5 Ge 0.81403902798412 0.75972788148339 0.91408118290238 72.640 6 Ge 0.18596097201588 0.25972788148339 0.58591881709762 72.640 7 Ge 0.18596097201588 0.24027211851661 0.08591881709762 72.640 8 Ge 0.81403902798412 0.74027211851661 0.41408118290238 72.640 *9 As 0.53839439033355 0.81403521271321 0.21949829221570 74.922 10 As 0.46160560966645 0.31403521271321 0.28050170778430 74.922 11 As 0.46160560966645 0.18596478728679 0.78050170778430 74.922 12 As 0.53839439033355 0.68596478728679 0.71949829221570 74.922 *13 As 0.50715841891244 0.94029304356898 0.75167514675249 74.922 14 As 0.49284158108756 0.44029304356898 0.74832485324751 74.922 15 As 0.49284158108756 0.05970695643102 0.24832485324751 74.922 16 As 0.50715841891244 0.55970695643102 0.25167514675249 74.922 *17 As 0.99705381378365 0.93232105634344 0.24160489159100 74.922 18 As 0.00294618621635 0.43232105634344 0.25839510840900 74.922 19 As 0.99705381378365 0.56767894365656 0.74160489159100 74.922 20 As 0.00294618621635 0.06767894365656 0.75839510840900 74.922 *21 As 0.00231386268074 0.80218590294386 0.72317049616839 74.922 22 As 0.99768613731926 0.30218590294386 0.77682950383161 74.922 23 As 0.99768613731926 0.19781409705614 0.27682950383161 74.922 24 As 0.00231386268074 0.69781409705614 0.22317049616839 74.922 *25 Sr 0.28159358464611 0.68442374167843 0.98794730183893 87.620 26 Sr 0.71840641535390 0.18442374167843 0.51205269816107 87.620 27 Sr 0.71840641535390 0.31557625832157 0.01205269816107 87.620 28 Sr 0.28159358464611 0.81557625832157 0.48794730183893 87.620 *29 Sr 0.76067930911927 0.55975883631542 0.00248550440933 87.620 30 Sr 0.23932069088073 0.05975883631542 0.49751449559067 87.620 31 Sr 0.23932069088073 0.44024116368458 0.99751449559067 87.620 32 Sr 0.76067930911927 0.94024116368458 0.50248550440933 87.620 *33 Sr 0.24462113465749 0.56253324996272 0.48813140030862 87.620 34 Sr 0.75537886534251 0.06253324996272 0.01186859969138 87.620 35 Sr 0.75537886534251 0.43746675003728 0.51186859969138 87.620 36 Sr 0.24462113465749 0.93746675003728 0.98813140030862 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.581062710644719 0.000000000000000 0.000000000000000 b 0.000000000000000 18.385622580000003 0.000000000000000 c -2.751165342216410 0.000000000000000 6.905689660694478 Atomic positions (fractional): *1 Ge 0.71146940949184 0.62795956357680 0.52805758454067 72.640 > 1 2 Ge 0.28853059050816 0.12795956357680 0.97194241545933 72.640 > 2 3 Ge 0.71146940949184 0.87204043642320 0.02805758454067 72.640 > 3 4 Ge 0.28853059050816 0.37204043642320 0.47194241545933 72.640 > 4 *5 Ge 0.81403902798412 0.75972788148339 0.91408118290238 72.640 > 5 6 Ge 0.18596097201588 0.25972788148339 0.58591881709762 72.640 > 6 7 Ge 0.18596097201588 0.24027211851661 0.08591881709762 72.640 > 7 8 Ge 0.81403902798412 0.74027211851661 0.41408118290238 72.640 > 8 *9 As 0.53839439033355 0.81403521271321 0.21949829221570 74.922 > 9 10 As 0.46160560966645 0.31403521271321 0.28050170778430 74.922 > 10 11 As 0.46160560966645 0.18596478728679 0.78050170778430 74.922 > 11 12 As 0.53839439033355 0.68596478728679 0.71949829221570 74.922 > 12 *13 As 0.50715841891244 0.94029304356898 0.75167514675249 74.922 > 13 14 As 0.49284158108756 0.44029304356898 0.74832485324751 74.922 > 14 15 As 0.49284158108756 0.05970695643102 0.24832485324751 74.922 > 15 16 As 0.50715841891244 0.55970695643102 0.25167514675249 74.922 > 16 *17 As 0.99705381378365 0.93232105634344 0.24160489159100 74.922 > 17 18 As 0.00294618621635 0.43232105634344 0.25839510840900 74.922 > 18 19 As 0.99705381378365 0.56767894365656 0.74160489159100 74.922 > 19 20 As 0.00294618621635 0.06767894365656 0.75839510840900 74.922 > 20 *21 As 0.00231386268074 0.80218590294386 0.72317049616839 74.922 > 21 22 As 0.99768613731926 0.30218590294386 0.77682950383161 74.922 > 22 23 As 0.99768613731926 0.19781409705614 0.27682950383161 74.922 > 23 24 As 0.00231386268074 0.69781409705614 0.22317049616839 74.922 > 24 *25 Sr 0.28159358464611 0.68442374167843 0.98794730183893 87.620 > 25 26 Sr 0.71840641535390 0.18442374167843 0.51205269816107 87.620 > 26 27 Sr 0.71840641535390 0.31557625832157 0.01205269816107 87.620 > 27 28 Sr 0.28159358464611 0.81557625832157 0.48794730183893 87.620 > 28 *29 Sr 0.76067930911927 0.55975883631542 0.00248550440933 87.620 > 29 30 Sr 0.23932069088073 0.05975883631542 0.49751449559067 87.620 > 30 31 Sr 0.23932069088073 0.44024116368458 0.99751449559067 87.620 > 31 32 Sr 0.76067930911927 0.94024116368458 0.50248550440933 87.620 > 32 *33 Sr 0.24462113465749 0.56253324996272 0.48813140030862 87.620 > 33 34 Sr 0.75537886534251 0.06253324996272 0.01186859969138 87.620 > 34 35 Sr 0.75537886534251 0.43746675003728 0.51186859969138 87.620 > 35 36 Sr 0.24462113465749 0.93746675003728 0.98813140030862 87.620 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.162125421289439 0.000000000000000 0.000000000000000 b 0.000000000000000 18.385622580000003 0.000000000000000 c -5.502330684432820 0.000000000000000 13.811379321388957 Atomic positions (fractional): *1 Ge 0.35573470474592 0.62795956357680 0.26402879227033 72.640 > 1 2 Ge 0.85573470474592 0.62795956357680 0.26402879227033 72.640 > 1 3 Ge 0.35573470474592 0.62795956357680 0.76402879227033 72.640 > 1 4 Ge 0.85573470474592 0.62795956357680 0.76402879227033 72.640 > 1 5 Ge 0.14426529525408 0.12795956357680 0.48597120772967 72.640 > 2 6 Ge 0.64426529525408 0.12795956357680 0.48597120772967 72.640 > 2 7 Ge 0.14426529525408 0.12795956357680 0.98597120772967 72.640 > 2 8 Ge 0.64426529525408 0.12795956357680 0.98597120772967 72.640 > 2 9 Ge 0.35573470474592 0.87204043642320 0.01402879227033 72.640 > 3 10 Ge 0.85573470474592 0.87204043642320 0.01402879227033 72.640 > 3 11 Ge 0.35573470474592 0.87204043642320 0.51402879227033 72.640 > 3 12 Ge 0.85573470474592 0.87204043642320 0.51402879227033 72.640 > 3 13 Ge 0.14426529525408 0.37204043642320 0.23597120772967 72.640 > 4 14 Ge 0.64426529525408 0.37204043642320 0.23597120772967 72.640 > 4 15 Ge 0.14426529525408 0.37204043642320 0.73597120772967 72.640 > 4 16 Ge 0.64426529525408 0.37204043642320 0.73597120772967 72.640 > 4 *17 Ge 0.40701951399206 0.75972788148339 0.45704059145119 72.640 > 5 18 Ge 0.90701951399206 0.75972788148339 0.45704059145119 72.640 > 5 19 Ge 0.40701951399206 0.75972788148339 0.95704059145119 72.640 > 5 20 Ge 0.90701951399206 0.75972788148339 0.95704059145119 72.640 > 5 21 Ge 0.09298048600794 0.25972788148339 0.29295940854881 72.640 > 6 22 Ge 0.59298048600794 0.25972788148339 0.29295940854881 72.640 > 6 23 Ge 0.09298048600794 0.25972788148339 0.79295940854881 72.640 > 6 24 Ge 0.59298048600794 0.25972788148339 0.79295940854881 72.640 > 6 25 Ge 0.09298048600794 0.24027211851661 0.04295940854881 72.640 > 7 26 Ge 0.59298048600794 0.24027211851661 0.04295940854881 72.640 > 7 27 Ge 0.09298048600794 0.24027211851661 0.54295940854881 72.640 > 7 28 Ge 0.59298048600794 0.24027211851661 0.54295940854881 72.640 > 7 29 Ge 0.40701951399206 0.74027211851661 0.20704059145119 72.640 > 8 30 Ge 0.90701951399206 0.74027211851661 0.20704059145119 72.640 > 8 31 Ge 0.40701951399206 0.74027211851661 0.70704059145119 72.640 > 8 32 Ge 0.90701951399206 0.74027211851661 0.70704059145119 72.640 > 8 *33 As 0.26919719516677 0.81403521271321 0.10974914610785 74.922 > 9 34 As 0.76919719516677 0.81403521271321 0.10974914610785 74.922 > 9 35 As 0.26919719516677 0.81403521271321 0.60974914610785 74.922 > 9 36 As 0.76919719516677 0.81403521271321 0.60974914610785 74.922 > 9 37 As 0.23080280483323 0.31403521271321 0.14025085389215 74.922 > 10 38 As 0.73080280483323 0.31403521271321 0.14025085389215 74.922 > 10 39 As 0.23080280483323 0.31403521271321 0.64025085389215 74.922 > 10 40 As 0.73080280483323 0.31403521271321 0.64025085389215 74.922 > 10 41 As 0.23080280483323 0.18596478728679 0.39025085389215 74.922 > 11 42 As 0.73080280483323 0.18596478728679 0.39025085389215 74.922 > 11 43 As 0.23080280483323 0.18596478728679 0.89025085389215 74.922 > 11 44 As 0.73080280483323 0.18596478728679 0.89025085389215 74.922 > 11 45 As 0.26919719516677 0.68596478728679 0.35974914610785 74.922 > 12 46 As 0.76919719516677 0.68596478728679 0.35974914610785 74.922 > 12 47 As 0.26919719516677 0.68596478728679 0.85974914610785 74.922 > 12 48 As 0.76919719516677 0.68596478728679 0.85974914610785 74.922 > 12 *49 As 0.25357920945622 0.94029304356898 0.37583757337625 74.922 > 13 50 As 0.75357920945622 0.94029304356898 0.37583757337625 74.922 > 13 51 As 0.25357920945622 0.94029304356898 0.87583757337625 74.922 > 13 52 As 0.75357920945622 0.94029304356898 0.87583757337625 74.922 > 13 53 As 0.24642079054378 0.44029304356898 0.37416242662375 74.922 > 14 54 As 0.74642079054378 0.44029304356898 0.37416242662375 74.922 > 14 55 As 0.24642079054378 0.44029304356898 0.87416242662375 74.922 > 14 56 As 0.74642079054378 0.44029304356898 0.87416242662375 74.922 > 14 57 As 0.24642079054378 0.05970695643102 0.12416242662375 74.922 > 15 58 As 0.74642079054378 0.05970695643102 0.12416242662375 74.922 > 15 59 As 0.24642079054378 0.05970695643102 0.62416242662375 74.922 > 15 60 As 0.74642079054378 0.05970695643102 0.62416242662375 74.922 > 15 61 As 0.25357920945622 0.55970695643102 0.12583757337625 74.922 > 16 62 As 0.75357920945622 0.55970695643102 0.12583757337625 74.922 > 16 63 As 0.25357920945622 0.55970695643102 0.62583757337625 74.922 > 16 64 As 0.75357920945622 0.55970695643102 0.62583757337625 74.922 > 16 *65 As 0.49852690689183 0.93232105634344 0.12080244579550 74.922 > 17 66 As 0.99852690689183 0.93232105634344 0.12080244579550 74.922 > 17 67 As 0.49852690689183 0.93232105634344 0.62080244579550 74.922 > 17 68 As 0.99852690689183 0.93232105634344 0.62080244579550 74.922 > 17 69 As 0.00147309310817 0.43232105634344 0.12919755420450 74.922 > 18 70 As 0.50147309310817 0.43232105634344 0.12919755420450 74.922 > 18 71 As 0.00147309310817 0.43232105634344 0.62919755420450 74.922 > 18 72 As 0.50147309310817 0.43232105634344 0.62919755420450 74.922 > 18 73 As 0.49852690689183 0.56767894365656 0.37080244579550 74.922 > 19 74 As 0.99852690689183 0.56767894365656 0.37080244579550 74.922 > 19 75 As 0.49852690689183 0.56767894365656 0.87080244579550 74.922 > 19 76 As 0.99852690689183 0.56767894365656 0.87080244579550 74.922 > 19 77 As 0.00147309310817 0.06767894365656 0.37919755420450 74.922 > 20 78 As 0.50147309310817 0.06767894365656 0.37919755420450 74.922 > 20 79 As 0.00147309310817 0.06767894365656 0.87919755420450 74.922 > 20 80 As 0.50147309310817 0.06767894365656 0.87919755420450 74.922 > 20 *81 As 0.00115693134037 0.80218590294386 0.36158524808420 74.922 > 21 82 As 0.50115693134037 0.80218590294386 0.36158524808420 74.922 > 21 83 As 0.00115693134037 0.80218590294386 0.86158524808420 74.922 > 21 84 As 0.50115693134037 0.80218590294386 0.86158524808420 74.922 > 21 85 As 0.49884306865963 0.30218590294386 0.38841475191580 74.922 > 22 86 As 0.99884306865963 0.30218590294386 0.38841475191580 74.922 > 22 87 As 0.49884306865963 0.30218590294386 0.88841475191580 74.922 > 22 88 As 0.99884306865963 0.30218590294386 0.88841475191580 74.922 > 22 89 As 0.49884306865963 0.19781409705614 0.13841475191580 74.922 > 23 90 As 0.99884306865963 0.19781409705614 0.13841475191580 74.922 > 23 91 As 0.49884306865963 0.19781409705614 0.63841475191580 74.922 > 23 92 As 0.99884306865963 0.19781409705614 0.63841475191580 74.922 > 23 93 As 0.00115693134037 0.69781409705614 0.11158524808420 74.922 > 24 94 As 0.50115693134037 0.69781409705614 0.11158524808420 74.922 > 24 95 As 0.00115693134037 0.69781409705614 0.61158524808420 74.922 > 24 96 As 0.50115693134037 0.69781409705614 0.61158524808420 74.922 > 24 *97 Sr 0.14079679232305 0.68442374167843 0.49397365091946 87.620 > 25 98 Sr 0.64079679232305 0.68442374167843 0.49397365091946 87.620 > 25 99 Sr 0.14079679232305 0.68442374167843 0.99397365091946 87.620 > 25 100 Sr 0.64079679232305 0.68442374167843 0.99397365091946 87.620 > 25 101 Sr 0.35920320767695 0.18442374167843 0.25602634908054 87.620 > 26 102 Sr 0.85920320767695 0.18442374167843 0.25602634908054 87.620 > 26 103 Sr 0.35920320767695 0.18442374167843 0.75602634908054 87.620 > 26 104 Sr 0.85920320767695 0.18442374167843 0.75602634908054 87.620 > 26 105 Sr 0.35920320767695 0.31557625832157 0.00602634908053 87.620 > 27 106 Sr 0.85920320767695 0.31557625832157 0.00602634908053 87.620 > 27 107 Sr 0.35920320767695 0.31557625832157 0.50602634908054 87.620 > 27 108 Sr 0.85920320767695 0.31557625832157 0.50602634908054 87.620 > 27 109 Sr 0.14079679232305 0.81557625832157 0.24397365091946 87.620 > 28 110 Sr 0.64079679232305 0.81557625832157 0.24397365091946 87.620 > 28 111 Sr 0.14079679232305 0.81557625832157 0.74397365091946 87.620 > 28 112 Sr 0.64079679232305 0.81557625832157 0.74397365091946 87.620 > 28 *113 Sr 0.38033965455964 0.55975883631542 0.00124275220467 87.620 > 29 114 Sr 0.88033965455964 0.55975883631542 0.00124275220467 87.620 > 29 115 Sr 0.38033965455964 0.55975883631542 0.50124275220467 87.620 > 29 116 Sr 0.88033965455964 0.55975883631542 0.50124275220467 87.620 > 29 117 Sr 0.11966034544036 0.05975883631542 0.24875724779533 87.620 > 30 118 Sr 0.61966034544036 0.05975883631542 0.24875724779533 87.620 > 30 119 Sr 0.11966034544036 0.05975883631542 0.74875724779533 87.620 > 30 120 Sr 0.61966034544036 0.05975883631542 0.74875724779533 87.620 > 30 121 Sr 0.11966034544036 0.44024116368458 0.49875724779533 87.620 > 31 122 Sr 0.61966034544036 0.44024116368458 0.49875724779533 87.620 > 31 123 Sr 0.11966034544036 0.44024116368458 0.99875724779533 87.620 > 31 124 Sr 0.61966034544036 0.44024116368458 0.99875724779533 87.620 > 31 125 Sr 0.38033965455964 0.94024116368458 0.25124275220467 87.620 > 32 126 Sr 0.88033965455964 0.94024116368458 0.25124275220467 87.620 > 32 127 Sr 0.38033965455964 0.94024116368458 0.75124275220467 87.620 > 32 128 Sr 0.88033965455964 0.94024116368458 0.75124275220467 87.620 > 32 *129 Sr 0.12231056732874 0.56253324996272 0.24406570015431 87.620 > 33 130 Sr 0.62231056732874 0.56253324996272 0.24406570015431 87.620 > 33 131 Sr 0.12231056732874 0.56253324996272 0.74406570015431 87.620 > 33 132 Sr 0.62231056732874 0.56253324996272 0.74406570015431 87.620 > 33 133 Sr 0.37768943267126 0.06253324996272 0.00593429984569 87.620 > 34 134 Sr 0.87768943267126 0.06253324996272 0.00593429984569 87.620 > 34 135 Sr 0.37768943267126 0.06253324996272 0.50593429984569 87.620 > 34 136 Sr 0.87768943267126 0.06253324996272 0.50593429984569 87.620 > 34 137 Sr 0.37768943267126 0.43746675003728 0.25593429984569 87.620 > 35 138 Sr 0.87768943267126 0.43746675003728 0.25593429984569 87.620 > 35 139 Sr 0.37768943267126 0.43746675003728 0.75593429984569 87.620 > 35 140 Sr 0.87768943267126 0.43746675003728 0.75593429984569 87.620 > 35 141 Sr 0.12231056732874 0.93746675003728 0.49406570015431 87.620 > 36 142 Sr 0.62231056732874 0.93746675003728 0.49406570015431 87.620 > 36 143 Sr 0.12231056732874 0.93746675003728 0.99406570015431 87.620 > 36 144 Sr 0.62231056732874 0.93746675003728 0.99406570015431 87.620 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.5626912 0.0000000 0.4665858 0.0000000 11.6610863 0.0000000 0.4659196 0.0000000 14.3283895 -------------------------- Born effective charges -------------------------- 1 Ge 1.6609612 -0.0984348 0.6129619 -0.2359633 2.1488808 0.4984808 0.2383845 0.1373424 2.2798703 2 Ge 1.6609612 0.0984348 0.6129619 0.2359633 2.1488808 -0.4984808 0.2383845 -0.1373424 2.2798703 3 Ge 1.6609612 0.0984348 0.6129619 0.2359633 2.1488808 -0.4984808 0.2383845 -0.1373424 2.2798703 4 Ge 1.6609612 -0.0984348 0.6129619 -0.2359633 2.1488808 0.4984808 0.2383845 0.1373424 2.2798703 5 Ge 0.9166572 0.2129371 -0.4335916 0.2672253 1.0458523 0.3416142 -0.0398822 0.0260709 2.8337300 6 Ge 0.9166572 -0.2129371 -0.4335916 -0.2672253 1.0458523 -0.3416142 -0.0398822 -0.0260709 2.8337300 7 Ge 0.9166572 0.2129371 -0.4335916 0.2672253 1.0458523 0.3416142 -0.0398822 0.0260709 2.8337300 8 Ge 0.9166572 -0.2129371 -0.4335916 -0.2672253 1.0458523 -0.3416142 -0.0398822 -0.0260709 2.8337300 9 As -3.0005708 0.2013797 0.3787271 0.2908168 -2.5286738 0.5083434 0.1128262 0.7062810 -2.9822317 10 As -3.0005708 -0.2013797 0.3787271 -0.2908168 -2.5286738 -0.5083434 0.1128262 -0.7062810 -2.9822317 11 As -3.0005708 0.2013797 0.3787271 0.2908168 -2.5286738 0.5083434 0.1128262 0.7062810 -2.9822317 12 As -3.0005708 -0.2013797 0.3787271 -0.2908168 -2.5286738 -0.5083434 0.1128262 -0.7062810 -2.9822317 13 As -2.5857625 0.5153640 -0.6451233 0.3145200 -3.1933252 0.7083451 -0.6000316 0.6596444 -3.4955640 14 As -2.5857625 -0.5153640 -0.6451233 -0.3145200 -3.1933252 -0.7083451 -0.6000316 -0.6596444 -3.4955640 15 As -2.5857625 0.5153640 -0.6451233 0.3145200 -3.1933252 0.7083451 -0.6000316 0.6596444 -3.4955640 16 As -2.5857625 -0.5153640 -0.6451233 -0.3145200 -3.1933252 -0.7083451 -0.6000316 -0.6596444 -3.4955640 17 As -2.9876155 -0.3977432 -0.4900018 -0.2407407 -3.3630312 -0.4880719 -0.7937965 -0.7720838 -3.1487813 18 As -2.9876155 0.3977432 -0.4900018 0.2407407 -3.3630312 0.4880719 -0.7937965 0.7720838 -3.1487813 19 As -2.9876155 0.3977432 -0.4900018 0.2407407 -3.3630312 0.4880719 -0.7937965 0.7720838 -3.1487813 20 As -2.9876155 -0.3977432 -0.4900018 -0.2407407 -3.3630312 -0.4880719 -0.7937965 -0.7720838 -3.1487813 21 As -2.3046569 -0.4537791 0.2353945 -0.1942841 -2.0892692 -0.5123841 0.6091615 -0.3548806 -3.0808512 22 As -2.3046569 0.4537791 0.2353945 0.1942841 -2.0892692 0.5123841 0.6091615 0.3548806 -3.0808512 23 As -2.3046569 -0.4537791 0.2353945 -0.1942841 -2.0892692 -0.5123841 0.6091615 -0.3548806 -3.0808512 24 As -2.3046569 0.4537791 0.2353945 0.1942841 -2.0892692 0.5123841 0.6091615 0.3548806 -3.0808512 25 Sr 3.4882362 0.1448302 0.1285285 -0.2193287 1.7610887 0.1993363 0.0714936 -0.2820278 2.6281591 26 Sr 3.4882362 -0.1448302 0.1285285 0.2193287 1.7610887 -0.1993363 0.0714936 0.2820278 2.6281591 27 Sr 3.4882362 0.1448302 0.1285285 -0.2193287 1.7610887 0.1993363 0.0714936 -0.2820278 2.6281591 28 Sr 3.4882362 -0.1448302 0.1285285 0.2193287 1.7610887 -0.1993363 0.0714936 0.2820278 2.6281591 29 Sr 1.9619963 0.0504211 0.0764129 0.2652649 3.1100525 -0.1979099 0.0154940 -0.2050672 3.0284301 30 Sr 1.9619963 -0.0504211 0.0764129 -0.2652649 3.1100525 0.1979099 0.0154940 0.2050672 3.0284301 31 Sr 1.9619963 0.0504211 0.0764129 0.2652649 3.1100525 -0.1979099 0.0154940 -0.2050672 3.0284301 32 Sr 1.9619963 -0.0504211 0.0764129 -0.2652649 3.1100525 0.1979099 0.0154940 0.2050672 3.0284301 33 Sr 2.8507548 0.1927100 0.1366918 0.0934087 3.1084252 0.1036009 0.3863505 -0.2919870 1.9372388 34 Sr 2.8507548 -0.1927100 0.1366918 -0.0934087 3.1084252 -0.1036009 0.3863505 0.2919870 1.9372388 35 Sr 2.8507548 0.1927100 0.1366918 0.0934087 3.1084252 0.1036009 0.3863505 -0.2919870 1.9372388 36 Sr 2.8507548 -0.1927100 0.1366918 -0.0934087 3.1084252 -0.1036009 0.3863505 0.2919870 1.9372388 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 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: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 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: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 281), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 281), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.011 Solver_block: 100 / 1120 - Time: 3.073 Solver_block: 200 / 1120 - Time: 3.063 Solver_block: 300 / 1120 - Time: 3.135 Solver_block: 400 / 1120 - Time: 3.011 Solver_block: 500 / 1120 - Time: 3.114 Solver_block: 600 / 1120 - Time: 3.115 Solver_block: 700 / 1120 - Time: 3.123 Solver_block: 800 / 1120 - Time: 3.106 Solver_block: 900 / 1120 - Time: 3.046 Solver_block: 1000 / 1120 - Time: 3.098 Solver_block: 1100 / 1120 - Time: 3.141 Solver_block: 1120 / 1120 - Time: 0.830 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 35.535 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 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: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 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: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 281), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 281), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:27:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:27:50]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.581062710644719 0.000000000000000 0.000000000000000 b 0.000000000000000 18.385622580000003 0.000000000000000 c -2.751165342216410 0.000000000000000 6.905689660694478 Atomic positions (fractional): 1 Ge 0.71146940949184 0.62795956357680 0.52805758454067 72.640 2 Ge 0.28853059050816 0.12795956357680 0.97194241545933 72.640 3 Ge 0.71146940949184 0.87204043642320 0.02805758454067 72.640 4 Ge 0.28853059050816 0.37204043642320 0.47194241545933 72.640 5 Ge 0.81403902798412 0.75972788148339 0.91408118290238 72.640 6 Ge 0.18596097201588 0.25972788148339 0.58591881709762 72.640 7 Ge 0.18596097201588 0.24027211851661 0.08591881709762 72.640 8 Ge 0.81403902798412 0.74027211851661 0.41408118290238 72.640 9 As 0.53839439033355 0.81403521271321 0.21949829221570 74.922 10 As 0.46160560966645 0.31403521271321 0.28050170778430 74.922 11 As 0.46160560966645 0.18596478728679 0.78050170778430 74.922 12 As 0.53839439033355 0.68596478728679 0.71949829221570 74.922 13 As 0.50715841891244 0.94029304356898 0.75167514675249 74.922 14 As 0.49284158108756 0.44029304356898 0.74832485324751 74.922 15 As 0.49284158108756 0.05970695643102 0.24832485324751 74.922 16 As 0.50715841891244 0.55970695643102 0.25167514675249 74.922 17 As 0.99705381378365 0.93232105634344 0.24160489159100 74.922 18 As 0.00294618621635 0.43232105634344 0.25839510840900 74.922 19 As 0.99705381378365 0.56767894365656 0.74160489159100 74.922 20 As 0.00294618621635 0.06767894365656 0.75839510840900 74.922 21 As 0.00231386268074 0.80218590294386 0.72317049616839 74.922 22 As 0.99768613731926 0.30218590294386 0.77682950383161 74.922 23 As 0.99768613731926 0.19781409705614 0.27682950383161 74.922 24 As 0.00231386268074 0.69781409705614 0.22317049616839 74.922 25 Sr 0.28159358464611 0.68442374167843 0.98794730183893 87.620 26 Sr 0.71840641535390 0.18442374167843 0.51205269816107 87.620 27 Sr 0.71840641535390 0.31557625832157 0.01205269816107 87.620 28 Sr 0.28159358464611 0.81557625832157 0.48794730183893 87.620 29 Sr 0.76067930911927 0.55975883631542 0.00248550440933 87.620 30 Sr 0.23932069088073 0.05975883631542 0.49751449559067 87.620 31 Sr 0.23932069088073 0.44024116368458 0.99751449559067 87.620 32 Sr 0.76067930911927 0.94024116368458 0.50248550440933 87.620 33 Sr 0.24462113465749 0.56253324996272 0.48813140030862 87.620 34 Sr 0.75537886534251 0.06253324996272 0.01186859969138 87.620 35 Sr 0.75537886534251 0.43746675003728 0.51186859969138 87.620 36 Sr 0.24462113465749 0.93746675003728 0.98813140030862 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.162125421289439 0.000000000000000 0.000000000000000 b 0.000000000000000 18.385622580000003 0.000000000000000 c -5.502330684432820 0.000000000000000 13.811379321388957 Atomic positions (fractional): 1 Ge 0.35573470474592 0.62795956357680 0.26402879227033 72.640 > 1 2 Ge 0.85573470474592 0.62795956357680 0.26402879227033 72.640 > 1 3 Ge 0.35573470474592 0.62795956357680 0.76402879227033 72.640 > 1 4 Ge 0.85573470474592 0.62795956357680 0.76402879227033 72.640 > 1 5 Ge 0.14426529525408 0.12795956357680 0.48597120772967 72.640 > 5 6 Ge 0.64426529525408 0.12795956357680 0.48597120772967 72.640 > 5 7 Ge 0.14426529525408 0.12795956357680 0.98597120772967 72.640 > 5 8 Ge 0.64426529525408 0.12795956357680 0.98597120772967 72.640 > 5 9 Ge 0.35573470474592 0.87204043642320 0.01402879227033 72.640 > 9 10 Ge 0.85573470474592 0.87204043642320 0.01402879227033 72.640 > 9 11 Ge 0.35573470474592 0.87204043642320 0.51402879227033 72.640 > 9 12 Ge 0.85573470474592 0.87204043642320 0.51402879227033 72.640 > 9 13 Ge 0.14426529525408 0.37204043642320 0.23597120772967 72.640 > 13 14 Ge 0.64426529525408 0.37204043642320 0.23597120772967 72.640 > 13 15 Ge 0.14426529525408 0.37204043642320 0.73597120772967 72.640 > 13 16 Ge 0.64426529525408 0.37204043642320 0.73597120772967 72.640 > 13 17 Ge 0.40701951399206 0.75972788148339 0.45704059145119 72.640 > 17 18 Ge 0.90701951399206 0.75972788148339 0.45704059145119 72.640 > 17 19 Ge 0.40701951399206 0.75972788148339 0.95704059145119 72.640 > 17 20 Ge 0.90701951399206 0.75972788148339 0.95704059145119 72.640 > 17 21 Ge 0.09298048600794 0.25972788148339 0.29295940854881 72.640 > 21 22 Ge 0.59298048600794 0.25972788148339 0.29295940854881 72.640 > 21 23 Ge 0.09298048600794 0.25972788148339 0.79295940854881 72.640 > 21 24 Ge 0.59298048600794 0.25972788148339 0.79295940854881 72.640 > 21 25 Ge 0.09298048600794 0.24027211851661 0.04295940854881 72.640 > 25 26 Ge 0.59298048600794 0.24027211851661 0.04295940854881 72.640 > 25 27 Ge 0.09298048600794 0.24027211851661 0.54295940854881 72.640 > 25 28 Ge 0.59298048600794 0.24027211851661 0.54295940854881 72.640 > 25 29 Ge 0.40701951399206 0.74027211851661 0.20704059145119 72.640 > 29 30 Ge 0.90701951399206 0.74027211851661 0.20704059145119 72.640 > 29 31 Ge 0.40701951399206 0.74027211851661 0.70704059145119 72.640 > 29 32 Ge 0.90701951399206 0.74027211851661 0.70704059145119 72.640 > 29 33 As 0.26919719516677 0.81403521271321 0.10974914610785 74.922 > 33 34 As 0.76919719516677 0.81403521271321 0.10974914610785 74.922 > 33 35 As 0.26919719516677 0.81403521271321 0.60974914610785 74.922 > 33 36 As 0.76919719516677 0.81403521271321 0.60974914610785 74.922 > 33 37 As 0.23080280483323 0.31403521271321 0.14025085389215 74.922 > 37 38 As 0.73080280483323 0.31403521271321 0.14025085389215 74.922 > 37 39 As 0.23080280483323 0.31403521271321 0.64025085389215 74.922 > 37 40 As 0.73080280483323 0.31403521271321 0.64025085389215 74.922 > 37 41 As 0.23080280483323 0.18596478728679 0.39025085389215 74.922 > 41 42 As 0.73080280483323 0.18596478728679 0.39025085389215 74.922 > 41 43 As 0.23080280483323 0.18596478728679 0.89025085389215 74.922 > 41 44 As 0.73080280483323 0.18596478728679 0.89025085389215 74.922 > 41 45 As 0.26919719516677 0.68596478728679 0.35974914610785 74.922 > 45 46 As 0.76919719516677 0.68596478728679 0.35974914610785 74.922 > 45 47 As 0.26919719516677 0.68596478728679 0.85974914610785 74.922 > 45 48 As 0.76919719516677 0.68596478728679 0.85974914610785 74.922 > 45 49 As 0.25357920945622 0.94029304356898 0.37583757337625 74.922 > 49 50 As 0.75357920945622 0.94029304356898 0.37583757337625 74.922 > 49 51 As 0.25357920945622 0.94029304356898 0.87583757337625 74.922 > 49 52 As 0.75357920945622 0.94029304356898 0.87583757337625 74.922 > 49 53 As 0.24642079054378 0.44029304356898 0.37416242662375 74.922 > 53 54 As 0.74642079054378 0.44029304356898 0.37416242662375 74.922 > 53 55 As 0.24642079054378 0.44029304356898 0.87416242662375 74.922 > 53 56 As 0.74642079054378 0.44029304356898 0.87416242662375 74.922 > 53 57 As 0.24642079054378 0.05970695643102 0.12416242662375 74.922 > 57 58 As 0.74642079054378 0.05970695643102 0.12416242662375 74.922 > 57 59 As 0.24642079054378 0.05970695643102 0.62416242662375 74.922 > 57 60 As 0.74642079054378 0.05970695643102 0.62416242662375 74.922 > 57 61 As 0.25357920945622 0.55970695643102 0.12583757337625 74.922 > 61 62 As 0.75357920945622 0.55970695643102 0.12583757337625 74.922 > 61 63 As 0.25357920945622 0.55970695643102 0.62583757337625 74.922 > 61 64 As 0.75357920945622 0.55970695643102 0.62583757337625 74.922 > 61 65 As 0.49852690689183 0.93232105634344 0.12080244579550 74.922 > 65 66 As 0.99852690689183 0.93232105634344 0.12080244579550 74.922 > 65 67 As 0.49852690689183 0.93232105634344 0.62080244579550 74.922 > 65 68 As 0.99852690689183 0.93232105634344 0.62080244579550 74.922 > 65 69 As 0.00147309310817 0.43232105634344 0.12919755420450 74.922 > 69 70 As 0.50147309310817 0.43232105634344 0.12919755420450 74.922 > 69 71 As 0.00147309310817 0.43232105634344 0.62919755420450 74.922 > 69 72 As 0.50147309310817 0.43232105634344 0.62919755420450 74.922 > 69 73 As 0.49852690689183 0.56767894365656 0.37080244579550 74.922 > 73 74 As 0.99852690689183 0.56767894365656 0.37080244579550 74.922 > 73 75 As 0.49852690689183 0.56767894365656 0.87080244579550 74.922 > 73 76 As 0.99852690689183 0.56767894365656 0.87080244579550 74.922 > 73 77 As 0.00147309310817 0.06767894365656 0.37919755420450 74.922 > 77 78 As 0.50147309310817 0.06767894365656 0.37919755420450 74.922 > 77 79 As 0.00147309310817 0.06767894365656 0.87919755420450 74.922 > 77 80 As 0.50147309310817 0.06767894365656 0.87919755420450 74.922 > 77 81 As 0.00115693134037 0.80218590294386 0.36158524808420 74.922 > 81 82 As 0.50115693134037 0.80218590294386 0.36158524808420 74.922 > 81 83 As 0.00115693134037 0.80218590294386 0.86158524808420 74.922 > 81 84 As 0.50115693134037 0.80218590294386 0.86158524808420 74.922 > 81 85 As 0.49884306865963 0.30218590294386 0.38841475191580 74.922 > 85 86 As 0.99884306865963 0.30218590294386 0.38841475191580 74.922 > 85 87 As 0.49884306865963 0.30218590294386 0.88841475191580 74.922 > 85 88 As 0.99884306865963 0.30218590294386 0.88841475191580 74.922 > 85 89 As 0.49884306865963 0.19781409705614 0.13841475191580 74.922 > 89 90 As 0.99884306865963 0.19781409705614 0.13841475191580 74.922 > 89 91 As 0.49884306865963 0.19781409705614 0.63841475191580 74.922 > 89 92 As 0.99884306865963 0.19781409705614 0.63841475191580 74.922 > 89 93 As 0.00115693134037 0.69781409705614 0.11158524808420 74.922 > 93 94 As 0.50115693134037 0.69781409705614 0.11158524808420 74.922 > 93 95 As 0.00115693134037 0.69781409705614 0.61158524808420 74.922 > 93 96 As 0.50115693134037 0.69781409705614 0.61158524808420 74.922 > 93 97 Sr 0.14079679232305 0.68442374167843 0.49397365091946 87.620 > 97 98 Sr 0.64079679232305 0.68442374167843 0.49397365091946 87.620 > 97 99 Sr 0.14079679232305 0.68442374167843 0.99397365091946 87.620 > 97 100 Sr 0.64079679232305 0.68442374167843 0.99397365091946 87.620 > 97 101 Sr 0.35920320767695 0.18442374167843 0.25602634908054 87.620 > 101 102 Sr 0.85920320767695 0.18442374167843 0.25602634908054 87.620 > 101 103 Sr 0.35920320767695 0.18442374167843 0.75602634908054 87.620 > 101 104 Sr 0.85920320767695 0.18442374167843 0.75602634908054 87.620 > 101 105 Sr 0.35920320767695 0.31557625832157 0.00602634908053 87.620 > 105 106 Sr 0.85920320767695 0.31557625832157 0.00602634908053 87.620 > 105 107 Sr 0.35920320767695 0.31557625832157 0.50602634908054 87.620 > 105 108 Sr 0.85920320767695 0.31557625832157 0.50602634908054 87.620 > 105 109 Sr 0.14079679232305 0.81557625832157 0.24397365091946 87.620 > 109 110 Sr 0.64079679232305 0.81557625832157 0.24397365091946 87.620 > 109 111 Sr 0.14079679232305 0.81557625832157 0.74397365091946 87.620 > 109 112 Sr 0.64079679232305 0.81557625832157 0.74397365091946 87.620 > 109 113 Sr 0.38033965455964 0.55975883631542 0.00124275220467 87.620 > 113 114 Sr 0.88033965455964 0.55975883631542 0.00124275220467 87.620 > 113 115 Sr 0.38033965455964 0.55975883631542 0.50124275220467 87.620 > 113 116 Sr 0.88033965455964 0.55975883631542 0.50124275220467 87.620 > 113 117 Sr 0.11966034544036 0.05975883631542 0.24875724779533 87.620 > 117 118 Sr 0.61966034544036 0.05975883631542 0.24875724779533 87.620 > 117 119 Sr 0.11966034544036 0.05975883631542 0.74875724779533 87.620 > 117 120 Sr 0.61966034544036 0.05975883631542 0.74875724779533 87.620 > 117 121 Sr 0.11966034544036 0.44024116368458 0.49875724779533 87.620 > 121 122 Sr 0.61966034544036 0.44024116368458 0.49875724779533 87.620 > 121 123 Sr 0.11966034544036 0.44024116368458 0.99875724779533 87.620 > 121 124 Sr 0.61966034544036 0.44024116368458 0.99875724779533 87.620 > 121 125 Sr 0.38033965455964 0.94024116368458 0.25124275220467 87.620 > 125 126 Sr 0.88033965455964 0.94024116368458 0.25124275220467 87.620 > 125 127 Sr 0.38033965455964 0.94024116368458 0.75124275220467 87.620 > 125 128 Sr 0.88033965455964 0.94024116368458 0.75124275220467 87.620 > 125 129 Sr 0.12231056732874 0.56253324996272 0.24406570015431 87.620 > 129 130 Sr 0.62231056732874 0.56253324996272 0.24406570015431 87.620 > 129 131 Sr 0.12231056732874 0.56253324996272 0.74406570015431 87.620 > 129 132 Sr 0.62231056732874 0.56253324996272 0.74406570015431 87.620 > 129 133 Sr 0.37768943267126 0.06253324996272 0.00593429984569 87.620 > 133 134 Sr 0.87768943267126 0.06253324996272 0.00593429984569 87.620 > 133 135 Sr 0.37768943267126 0.06253324996272 0.50593429984569 87.620 > 133 136 Sr 0.87768943267126 0.06253324996272 0.50593429984569 87.620 > 133 137 Sr 0.37768943267126 0.43746675003728 0.25593429984569 87.620 > 137 138 Sr 0.87768943267126 0.43746675003728 0.25593429984569 87.620 > 137 139 Sr 0.37768943267126 0.43746675003728 0.75593429984569 87.620 > 137 140 Sr 0.87768943267126 0.43746675003728 0.75593429984569 87.620 > 137 141 Sr 0.12231056732874 0.93746675003728 0.49406570015431 87.620 > 141 142 Sr 0.62231056732874 0.93746675003728 0.49406570015431 87.620 > 141 143 Sr 0.12231056732874 0.93746675003728 0.99406570015431 87.620 > 141 144 Sr 0.62231056732874 0.93746675003728 0.99406570015431 87.620 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.5626912 0.0000000 0.4665858 0.0000000 11.6610863 0.0000000 0.4659196 0.0000000 14.3283895 -------------------------- Born effective charges -------------------------- 1 Ge 1.6609612 -0.0984348 0.6129619 -0.2359633 2.1488808 0.4984808 0.2383845 0.1373424 2.2798703 2 Ge 1.6609612 0.0984348 0.6129619 0.2359633 2.1488808 -0.4984808 0.2383845 -0.1373424 2.2798703 3 Ge 1.6609612 0.0984348 0.6129619 0.2359633 2.1488808 -0.4984808 0.2383845 -0.1373424 2.2798703 4 Ge 1.6609612 -0.0984348 0.6129619 -0.2359633 2.1488808 0.4984808 0.2383845 0.1373424 2.2798703 5 Ge 0.9166572 0.2129371 -0.4335916 0.2672253 1.0458523 0.3416142 -0.0398822 0.0260709 2.8337300 6 Ge 0.9166572 -0.2129371 -0.4335916 -0.2672253 1.0458523 -0.3416142 -0.0398822 -0.0260709 2.8337300 7 Ge 0.9166572 0.2129371 -0.4335916 0.2672253 1.0458523 0.3416142 -0.0398822 0.0260709 2.8337300 8 Ge 0.9166572 -0.2129371 -0.4335916 -0.2672253 1.0458523 -0.3416142 -0.0398822 -0.0260709 2.8337300 9 As -3.0005708 0.2013797 0.3787271 0.2908168 -2.5286738 0.5083434 0.1128262 0.7062810 -2.9822317 10 As -3.0005708 -0.2013797 0.3787271 -0.2908168 -2.5286738 -0.5083434 0.1128262 -0.7062810 -2.9822317 11 As -3.0005708 0.2013797 0.3787271 0.2908168 -2.5286738 0.5083434 0.1128262 0.7062810 -2.9822317 12 As -3.0005708 -0.2013797 0.3787271 -0.2908168 -2.5286738 -0.5083434 0.1128262 -0.7062810 -2.9822317 13 As -2.5857625 0.5153640 -0.6451233 0.3145200 -3.1933252 0.7083451 -0.6000316 0.6596444 -3.4955640 14 As -2.5857625 -0.5153640 -0.6451233 -0.3145200 -3.1933252 -0.7083451 -0.6000316 -0.6596444 -3.4955640 15 As -2.5857625 0.5153640 -0.6451233 0.3145200 -3.1933252 0.7083451 -0.6000316 0.6596444 -3.4955640 16 As -2.5857625 -0.5153640 -0.6451233 -0.3145200 -3.1933252 -0.7083451 -0.6000316 -0.6596444 -3.4955640 17 As -2.9876155 -0.3977432 -0.4900018 -0.2407407 -3.3630312 -0.4880719 -0.7937965 -0.7720838 -3.1487813 18 As -2.9876155 0.3977432 -0.4900018 0.2407407 -3.3630312 0.4880719 -0.7937965 0.7720838 -3.1487813 19 As -2.9876155 0.3977432 -0.4900018 0.2407407 -3.3630312 0.4880719 -0.7937965 0.7720838 -3.1487813 20 As -2.9876155 -0.3977432 -0.4900018 -0.2407407 -3.3630312 -0.4880719 -0.7937965 -0.7720838 -3.1487813 21 As -2.3046569 -0.4537791 0.2353945 -0.1942841 -2.0892692 -0.5123841 0.6091615 -0.3548806 -3.0808512 22 As -2.3046569 0.4537791 0.2353945 0.1942841 -2.0892692 0.5123841 0.6091615 0.3548806 -3.0808512 23 As -2.3046569 -0.4537791 0.2353945 -0.1942841 -2.0892692 -0.5123841 0.6091615 -0.3548806 -3.0808512 24 As -2.3046569 0.4537791 0.2353945 0.1942841 -2.0892692 0.5123841 0.6091615 0.3548806 -3.0808512 25 Sr 3.4882362 0.1448302 0.1285285 -0.2193287 1.7610887 0.1993363 0.0714936 -0.2820278 2.6281591 26 Sr 3.4882362 -0.1448302 0.1285285 0.2193287 1.7610887 -0.1993363 0.0714936 0.2820278 2.6281591 27 Sr 3.4882362 0.1448302 0.1285285 -0.2193287 1.7610887 0.1993363 0.0714936 -0.2820278 2.6281591 28 Sr 3.4882362 -0.1448302 0.1285285 0.2193287 1.7610887 -0.1993363 0.0714936 0.2820278 2.6281591 29 Sr 1.9619963 0.0504211 0.0764129 0.2652649 3.1100525 -0.1979099 0.0154940 -0.2050672 3.0284301 30 Sr 1.9619963 -0.0504211 0.0764129 -0.2652649 3.1100525 0.1979099 0.0154940 0.2050672 3.0284301 31 Sr 1.9619963 0.0504211 0.0764129 0.2652649 3.1100525 -0.1979099 0.0154940 -0.2050672 3.0284301 32 Sr 1.9619963 -0.0504211 0.0764129 -0.2652649 3.1100525 0.1979099 0.0154940 0.2050672 3.0284301 33 Sr 2.8507548 0.1927100 0.1366918 0.0934087 3.1084252 0.1036009 0.3863505 -0.2919870 1.9372388 34 Sr 2.8507548 -0.1927100 0.1366918 -0.0934087 3.1084252 -0.1036009 0.3863505 0.2919870 1.9372388 35 Sr 2.8507548 0.1927100 0.1366918 0.0934087 3.1084252 0.1036009 0.3863505 -0.2919870 1.9372388 36 Sr 2.8507548 -0.1927100 0.1366918 -0.0934087 3.1084252 -0.1036009 0.3863505 0.2919870 1.9372388 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 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[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 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 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:29:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:29:01]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.581062710644719 0.000000000000000 0.000000000000000 b 0.000000000000000 18.385622580000003 0.000000000000000 c -2.751165342216410 0.000000000000000 6.905689660694478 Atomic positions (fractional): 1 Ge 0.71146940949184 0.62795956357680 0.52805758454067 72.640 2 Ge 0.28853059050816 0.12795956357680 0.97194241545933 72.640 3 Ge 0.71146940949184 0.87204043642320 0.02805758454067 72.640 4 Ge 0.28853059050816 0.37204043642320 0.47194241545933 72.640 5 Ge 0.81403902798412 0.75972788148339 0.91408118290238 72.640 6 Ge 0.18596097201588 0.25972788148339 0.58591881709762 72.640 7 Ge 0.18596097201588 0.24027211851661 0.08591881709762 72.640 8 Ge 0.81403902798412 0.74027211851661 0.41408118290238 72.640 9 As 0.53839439033355 0.81403521271321 0.21949829221570 74.922 10 As 0.46160560966645 0.31403521271321 0.28050170778430 74.922 11 As 0.46160560966645 0.18596478728679 0.78050170778430 74.922 12 As 0.53839439033355 0.68596478728679 0.71949829221570 74.922 13 As 0.50715841891244 0.94029304356898 0.75167514675249 74.922 14 As 0.49284158108756 0.44029304356898 0.74832485324751 74.922 15 As 0.49284158108756 0.05970695643102 0.24832485324751 74.922 16 As 0.50715841891244 0.55970695643102 0.25167514675249 74.922 17 As 0.99705381378365 0.93232105634344 0.24160489159100 74.922 18 As 0.00294618621635 0.43232105634344 0.25839510840900 74.922 19 As 0.99705381378365 0.56767894365656 0.74160489159100 74.922 20 As 0.00294618621635 0.06767894365656 0.75839510840900 74.922 21 As 0.00231386268074 0.80218590294386 0.72317049616839 74.922 22 As 0.99768613731926 0.30218590294386 0.77682950383161 74.922 23 As 0.99768613731926 0.19781409705614 0.27682950383161 74.922 24 As 0.00231386268074 0.69781409705614 0.22317049616839 74.922 25 Sr 0.28159358464611 0.68442374167843 0.98794730183893 87.620 26 Sr 0.71840641535390 0.18442374167843 0.51205269816107 87.620 27 Sr 0.71840641535390 0.31557625832157 0.01205269816107 87.620 28 Sr 0.28159358464611 0.81557625832157 0.48794730183893 87.620 29 Sr 0.76067930911927 0.55975883631542 0.00248550440933 87.620 30 Sr 0.23932069088073 0.05975883631542 0.49751449559067 87.620 31 Sr 0.23932069088073 0.44024116368458 0.99751449559067 87.620 32 Sr 0.76067930911927 0.94024116368458 0.50248550440933 87.620 33 Sr 0.24462113465749 0.56253324996272 0.48813140030862 87.620 34 Sr 0.75537886534251 0.06253324996272 0.01186859969138 87.620 35 Sr 0.75537886534251 0.43746675003728 0.51186859969138 87.620 36 Sr 0.24462113465749 0.93746675003728 0.98813140030862 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.162125421289439 0.000000000000000 0.000000000000000 b 0.000000000000000 18.385622580000003 0.000000000000000 c -5.502330684432820 0.000000000000000 13.811379321388957 Atomic positions (fractional): 1 Ge 0.35573470474592 0.62795956357680 0.26402879227033 72.640 > 1 2 Ge 0.85573470474592 0.62795956357680 0.26402879227033 72.640 > 1 3 Ge 0.35573470474592 0.62795956357680 0.76402879227033 72.640 > 1 4 Ge 0.85573470474592 0.62795956357680 0.76402879227033 72.640 > 1 5 Ge 0.14426529525408 0.12795956357680 0.48597120772967 72.640 > 5 6 Ge 0.64426529525408 0.12795956357680 0.48597120772967 72.640 > 5 7 Ge 0.14426529525408 0.12795956357680 0.98597120772967 72.640 > 5 8 Ge 0.64426529525408 0.12795956357680 0.98597120772967 72.640 > 5 9 Ge 0.35573470474592 0.87204043642320 0.01402879227033 72.640 > 9 10 Ge 0.85573470474592 0.87204043642320 0.01402879227033 72.640 > 9 11 Ge 0.35573470474592 0.87204043642320 0.51402879227033 72.640 > 9 12 Ge 0.85573470474592 0.87204043642320 0.51402879227033 72.640 > 9 13 Ge 0.14426529525408 0.37204043642320 0.23597120772967 72.640 > 13 14 Ge 0.64426529525408 0.37204043642320 0.23597120772967 72.640 > 13 15 Ge 0.14426529525408 0.37204043642320 0.73597120772967 72.640 > 13 16 Ge 0.64426529525408 0.37204043642320 0.73597120772967 72.640 > 13 17 Ge 0.40701951399206 0.75972788148339 0.45704059145119 72.640 > 17 18 Ge 0.90701951399206 0.75972788148339 0.45704059145119 72.640 > 17 19 Ge 0.40701951399206 0.75972788148339 0.95704059145119 72.640 > 17 20 Ge 0.90701951399206 0.75972788148339 0.95704059145119 72.640 > 17 21 Ge 0.09298048600794 0.25972788148339 0.29295940854881 72.640 > 21 22 Ge 0.59298048600794 0.25972788148339 0.29295940854881 72.640 > 21 23 Ge 0.09298048600794 0.25972788148339 0.79295940854881 72.640 > 21 24 Ge 0.59298048600794 0.25972788148339 0.79295940854881 72.640 > 21 25 Ge 0.09298048600794 0.24027211851661 0.04295940854881 72.640 > 25 26 Ge 0.59298048600794 0.24027211851661 0.04295940854881 72.640 > 25 27 Ge 0.09298048600794 0.24027211851661 0.54295940854881 72.640 > 25 28 Ge 0.59298048600794 0.24027211851661 0.54295940854881 72.640 > 25 29 Ge 0.40701951399206 0.74027211851661 0.20704059145119 72.640 > 29 30 Ge 0.90701951399206 0.74027211851661 0.20704059145119 72.640 > 29 31 Ge 0.40701951399206 0.74027211851661 0.70704059145119 72.640 > 29 32 Ge 0.90701951399206 0.74027211851661 0.70704059145119 72.640 > 29 33 As 0.26919719516677 0.81403521271321 0.10974914610785 74.922 > 33 34 As 0.76919719516677 0.81403521271321 0.10974914610785 74.922 > 33 35 As 0.26919719516677 0.81403521271321 0.60974914610785 74.922 > 33 36 As 0.76919719516677 0.81403521271321 0.60974914610785 74.922 > 33 37 As 0.23080280483323 0.31403521271321 0.14025085389215 74.922 > 37 38 As 0.73080280483323 0.31403521271321 0.14025085389215 74.922 > 37 39 As 0.23080280483323 0.31403521271321 0.64025085389215 74.922 > 37 40 As 0.73080280483323 0.31403521271321 0.64025085389215 74.922 > 37 41 As 0.23080280483323 0.18596478728679 0.39025085389215 74.922 > 41 42 As 0.73080280483323 0.18596478728679 0.39025085389215 74.922 > 41 43 As 0.23080280483323 0.18596478728679 0.89025085389215 74.922 > 41 44 As 0.73080280483323 0.18596478728679 0.89025085389215 74.922 > 41 45 As 0.26919719516677 0.68596478728679 0.35974914610785 74.922 > 45 46 As 0.76919719516677 0.68596478728679 0.35974914610785 74.922 > 45 47 As 0.26919719516677 0.68596478728679 0.85974914610785 74.922 > 45 48 As 0.76919719516677 0.68596478728679 0.85974914610785 74.922 > 45 49 As 0.25357920945622 0.94029304356898 0.37583757337625 74.922 > 49 50 As 0.75357920945622 0.94029304356898 0.37583757337625 74.922 > 49 51 As 0.25357920945622 0.94029304356898 0.87583757337625 74.922 > 49 52 As 0.75357920945622 0.94029304356898 0.87583757337625 74.922 > 49 53 As 0.24642079054378 0.44029304356898 0.37416242662375 74.922 > 53 54 As 0.74642079054378 0.44029304356898 0.37416242662375 74.922 > 53 55 As 0.24642079054378 0.44029304356898 0.87416242662375 74.922 > 53 56 As 0.74642079054378 0.44029304356898 0.87416242662375 74.922 > 53 57 As 0.24642079054378 0.05970695643102 0.12416242662375 74.922 > 57 58 As 0.74642079054378 0.05970695643102 0.12416242662375 74.922 > 57 59 As 0.24642079054378 0.05970695643102 0.62416242662375 74.922 > 57 60 As 0.74642079054378 0.05970695643102 0.62416242662375 74.922 > 57 61 As 0.25357920945622 0.55970695643102 0.12583757337625 74.922 > 61 62 As 0.75357920945622 0.55970695643102 0.12583757337625 74.922 > 61 63 As 0.25357920945622 0.55970695643102 0.62583757337625 74.922 > 61 64 As 0.75357920945622 0.55970695643102 0.62583757337625 74.922 > 61 65 As 0.49852690689183 0.93232105634344 0.12080244579550 74.922 > 65 66 As 0.99852690689183 0.93232105634344 0.12080244579550 74.922 > 65 67 As 0.49852690689183 0.93232105634344 0.62080244579550 74.922 > 65 68 As 0.99852690689183 0.93232105634344 0.62080244579550 74.922 > 65 69 As 0.00147309310817 0.43232105634344 0.12919755420450 74.922 > 69 70 As 0.50147309310817 0.43232105634344 0.12919755420450 74.922 > 69 71 As 0.00147309310817 0.43232105634344 0.62919755420450 74.922 > 69 72 As 0.50147309310817 0.43232105634344 0.62919755420450 74.922 > 69 73 As 0.49852690689183 0.56767894365656 0.37080244579550 74.922 > 73 74 As 0.99852690689183 0.56767894365656 0.37080244579550 74.922 > 73 75 As 0.49852690689183 0.56767894365656 0.87080244579550 74.922 > 73 76 As 0.99852690689183 0.56767894365656 0.87080244579550 74.922 > 73 77 As 0.00147309310817 0.06767894365656 0.37919755420450 74.922 > 77 78 As 0.50147309310817 0.06767894365656 0.37919755420450 74.922 > 77 79 As 0.00147309310817 0.06767894365656 0.87919755420450 74.922 > 77 80 As 0.50147309310817 0.06767894365656 0.87919755420450 74.922 > 77 81 As 0.00115693134037 0.80218590294386 0.36158524808420 74.922 > 81 82 As 0.50115693134037 0.80218590294386 0.36158524808420 74.922 > 81 83 As 0.00115693134037 0.80218590294386 0.86158524808420 74.922 > 81 84 As 0.50115693134037 0.80218590294386 0.86158524808420 74.922 > 81 85 As 0.49884306865963 0.30218590294386 0.38841475191580 74.922 > 85 86 As 0.99884306865963 0.30218590294386 0.38841475191580 74.922 > 85 87 As 0.49884306865963 0.30218590294386 0.88841475191580 74.922 > 85 88 As 0.99884306865963 0.30218590294386 0.88841475191580 74.922 > 85 89 As 0.49884306865963 0.19781409705614 0.13841475191580 74.922 > 89 90 As 0.99884306865963 0.19781409705614 0.13841475191580 74.922 > 89 91 As 0.49884306865963 0.19781409705614 0.63841475191580 74.922 > 89 92 As 0.99884306865963 0.19781409705614 0.63841475191580 74.922 > 89 93 As 0.00115693134037 0.69781409705614 0.11158524808420 74.922 > 93 94 As 0.50115693134037 0.69781409705614 0.11158524808420 74.922 > 93 95 As 0.00115693134037 0.69781409705614 0.61158524808420 74.922 > 93 96 As 0.50115693134037 0.69781409705614 0.61158524808420 74.922 > 93 97 Sr 0.14079679232305 0.68442374167843 0.49397365091946 87.620 > 97 98 Sr 0.64079679232305 0.68442374167843 0.49397365091946 87.620 > 97 99 Sr 0.14079679232305 0.68442374167843 0.99397365091946 87.620 > 97 100 Sr 0.64079679232305 0.68442374167843 0.99397365091946 87.620 > 97 101 Sr 0.35920320767695 0.18442374167843 0.25602634908054 87.620 > 101 102 Sr 0.85920320767695 0.18442374167843 0.25602634908054 87.620 > 101 103 Sr 0.35920320767695 0.18442374167843 0.75602634908054 87.620 > 101 104 Sr 0.85920320767695 0.18442374167843 0.75602634908054 87.620 > 101 105 Sr 0.35920320767695 0.31557625832157 0.00602634908053 87.620 > 105 106 Sr 0.85920320767695 0.31557625832157 0.00602634908053 87.620 > 105 107 Sr 0.35920320767695 0.31557625832157 0.50602634908054 87.620 > 105 108 Sr 0.85920320767695 0.31557625832157 0.50602634908054 87.620 > 105 109 Sr 0.14079679232305 0.81557625832157 0.24397365091946 87.620 > 109 110 Sr 0.64079679232305 0.81557625832157 0.24397365091946 87.620 > 109 111 Sr 0.14079679232305 0.81557625832157 0.74397365091946 87.620 > 109 112 Sr 0.64079679232305 0.81557625832157 0.74397365091946 87.620 > 109 113 Sr 0.38033965455964 0.55975883631542 0.00124275220467 87.620 > 113 114 Sr 0.88033965455964 0.55975883631542 0.00124275220467 87.620 > 113 115 Sr 0.38033965455964 0.55975883631542 0.50124275220467 87.620 > 113 116 Sr 0.88033965455964 0.55975883631542 0.50124275220467 87.620 > 113 117 Sr 0.11966034544036 0.05975883631542 0.24875724779533 87.620 > 117 118 Sr 0.61966034544036 0.05975883631542 0.24875724779533 87.620 > 117 119 Sr 0.11966034544036 0.05975883631542 0.74875724779533 87.620 > 117 120 Sr 0.61966034544036 0.05975883631542 0.74875724779533 87.620 > 117 121 Sr 0.11966034544036 0.44024116368458 0.49875724779533 87.620 > 121 122 Sr 0.61966034544036 0.44024116368458 0.49875724779533 87.620 > 121 123 Sr 0.11966034544036 0.44024116368458 0.99875724779533 87.620 > 121 124 Sr 0.61966034544036 0.44024116368458 0.99875724779533 87.620 > 121 125 Sr 0.38033965455964 0.94024116368458 0.25124275220467 87.620 > 125 126 Sr 0.88033965455964 0.94024116368458 0.25124275220467 87.620 > 125 127 Sr 0.38033965455964 0.94024116368458 0.75124275220467 87.620 > 125 128 Sr 0.88033965455964 0.94024116368458 0.75124275220467 87.620 > 125 129 Sr 0.12231056732874 0.56253324996272 0.24406570015431 87.620 > 129 130 Sr 0.62231056732874 0.56253324996272 0.24406570015431 87.620 > 129 131 Sr 0.12231056732874 0.56253324996272 0.74406570015431 87.620 > 129 132 Sr 0.62231056732874 0.56253324996272 0.74406570015431 87.620 > 129 133 Sr 0.37768943267126 0.06253324996272 0.00593429984569 87.620 > 133 134 Sr 0.87768943267126 0.06253324996272 0.00593429984569 87.620 > 133 135 Sr 0.37768943267126 0.06253324996272 0.50593429984569 87.620 > 133 136 Sr 0.87768943267126 0.06253324996272 0.50593429984569 87.620 > 133 137 Sr 0.37768943267126 0.43746675003728 0.25593429984569 87.620 > 137 138 Sr 0.87768943267126 0.43746675003728 0.25593429984569 87.620 > 137 139 Sr 0.37768943267126 0.43746675003728 0.75593429984569 87.620 > 137 140 Sr 0.87768943267126 0.43746675003728 0.75593429984569 87.620 > 137 141 Sr 0.12231056732874 0.93746675003728 0.49406570015431 87.620 > 141 142 Sr 0.62231056732874 0.93746675003728 0.49406570015431 87.620 > 141 143 Sr 0.12231056732874 0.93746675003728 0.99406570015431 87.620 > 141 144 Sr 0.62231056732874 0.93746675003728 0.99406570015431 87.620 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 11.5626912 0.0000000 0.4665858 0.0000000 11.6610863 0.0000000 0.4659196 0.0000000 14.3283895 -------------------------- Born effective charges -------------------------- 1 Ge 1.6609612 -0.0984348 0.6129619 -0.2359633 2.1488808 0.4984808 0.2383845 0.1373424 2.2798703 2 Ge 1.6609612 0.0984348 0.6129619 0.2359633 2.1488808 -0.4984808 0.2383845 -0.1373424 2.2798703 3 Ge 1.6609612 0.0984348 0.6129619 0.2359633 2.1488808 -0.4984808 0.2383845 -0.1373424 2.2798703 4 Ge 1.6609612 -0.0984348 0.6129619 -0.2359633 2.1488808 0.4984808 0.2383845 0.1373424 2.2798703 5 Ge 0.9166572 0.2129371 -0.4335916 0.2672253 1.0458523 0.3416142 -0.0398822 0.0260709 2.8337300 6 Ge 0.9166572 -0.2129371 -0.4335916 -0.2672253 1.0458523 -0.3416142 -0.0398822 -0.0260709 2.8337300 7 Ge 0.9166572 0.2129371 -0.4335916 0.2672253 1.0458523 0.3416142 -0.0398822 0.0260709 2.8337300 8 Ge 0.9166572 -0.2129371 -0.4335916 -0.2672253 1.0458523 -0.3416142 -0.0398822 -0.0260709 2.8337300 9 As -3.0005708 0.2013797 0.3787271 0.2908168 -2.5286738 0.5083434 0.1128262 0.7062810 -2.9822317 10 As -3.0005708 -0.2013797 0.3787271 -0.2908168 -2.5286738 -0.5083434 0.1128262 -0.7062810 -2.9822317 11 As -3.0005708 0.2013797 0.3787271 0.2908168 -2.5286738 0.5083434 0.1128262 0.7062810 -2.9822317 12 As -3.0005708 -0.2013797 0.3787271 -0.2908168 -2.5286738 -0.5083434 0.1128262 -0.7062810 -2.9822317 13 As -2.5857625 0.5153640 -0.6451233 0.3145200 -3.1933252 0.7083451 -0.6000316 0.6596444 -3.4955640 14 As -2.5857625 -0.5153640 -0.6451233 -0.3145200 -3.1933252 -0.7083451 -0.6000316 -0.6596444 -3.4955640 15 As -2.5857625 0.5153640 -0.6451233 0.3145200 -3.1933252 0.7083451 -0.6000316 0.6596444 -3.4955640 16 As -2.5857625 -0.5153640 -0.6451233 -0.3145200 -3.1933252 -0.7083451 -0.6000316 -0.6596444 -3.4955640 17 As -2.9876155 -0.3977432 -0.4900018 -0.2407407 -3.3630312 -0.4880719 -0.7937965 -0.7720838 -3.1487813 18 As -2.9876155 0.3977432 -0.4900018 0.2407407 -3.3630312 0.4880719 -0.7937965 0.7720838 -3.1487813 19 As -2.9876155 0.3977432 -0.4900018 0.2407407 -3.3630312 0.4880719 -0.7937965 0.7720838 -3.1487813 20 As -2.9876155 -0.3977432 -0.4900018 -0.2407407 -3.3630312 -0.4880719 -0.7937965 -0.7720838 -3.1487813 21 As -2.3046569 -0.4537791 0.2353945 -0.1942841 -2.0892692 -0.5123841 0.6091615 -0.3548806 -3.0808512 22 As -2.3046569 0.4537791 0.2353945 0.1942841 -2.0892692 0.5123841 0.6091615 0.3548806 -3.0808512 23 As -2.3046569 -0.4537791 0.2353945 -0.1942841 -2.0892692 -0.5123841 0.6091615 -0.3548806 -3.0808512 24 As -2.3046569 0.4537791 0.2353945 0.1942841 -2.0892692 0.5123841 0.6091615 0.3548806 -3.0808512 25 Sr 3.4882362 0.1448302 0.1285285 -0.2193287 1.7610887 0.1993363 0.0714936 -0.2820278 2.6281591 26 Sr 3.4882362 -0.1448302 0.1285285 0.2193287 1.7610887 -0.1993363 0.0714936 0.2820278 2.6281591 27 Sr 3.4882362 0.1448302 0.1285285 -0.2193287 1.7610887 0.1993363 0.0714936 -0.2820278 2.6281591 28 Sr 3.4882362 -0.1448302 0.1285285 0.2193287 1.7610887 -0.1993363 0.0714936 0.2820278 2.6281591 29 Sr 1.9619963 0.0504211 0.0764129 0.2652649 3.1100525 -0.1979099 0.0154940 -0.2050672 3.0284301 30 Sr 1.9619963 -0.0504211 0.0764129 -0.2652649 3.1100525 0.1979099 0.0154940 0.2050672 3.0284301 31 Sr 1.9619963 0.0504211 0.0764129 0.2652649 3.1100525 -0.1979099 0.0154940 -0.2050672 3.0284301 32 Sr 1.9619963 -0.0504211 0.0764129 -0.2652649 3.1100525 0.1979099 0.0154940 0.2050672 3.0284301 33 Sr 2.8507548 0.1927100 0.1366918 0.0934087 3.1084252 0.1036009 0.3863505 -0.2919870 1.9372388 34 Sr 2.8507548 -0.1927100 0.1366918 -0.0934087 3.1084252 -0.1036009 0.3863505 0.2919870 1.9372388 35 Sr 2.8507548 0.1927100 0.1366918 0.0934087 3.1084252 0.1036009 0.3863505 -0.2919870 1.9372388 36 Sr 2.8507548 -0.1927100 0.1366918 -0.0934087 3.1084252 -0.1036009 0.3863505 0.2919870 1.9372388 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 3 7 ] 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: 0.42, Number of G-points: 287, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/50) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.074 ( 0.000 0.000 0.000) 0.000 1.142 ( 0.000 0.000 0.000) 0.000 1.579 ( 0.000 0.000 0.000) 0.000 1.627 ( 0.000 0.000 0.000) 0.000 1.747 ( 0.000 0.000 0.000) 0.000 1.805 ( 0.000 0.000 0.000) 0.000 1.903 ( 0.000 0.000 0.000) 0.000 1.932 ( 0.000 0.000 0.000) 0.000 2.002 ( 0.000 0.000 0.000) 0.000 2.034 ( 0.000 0.000 0.000) 0.000 2.108 ( 0.000 0.000 0.000) 0.000 2.255 ( 0.000 0.000 0.000) 0.000 2.273 ( 0.000 0.000 0.000) 0.000 2.291 ( 0.000 0.000 0.000) 0.000 2.390 ( 0.000 0.000 0.000) 0.000 2.396 ( 0.000 0.000 0.000) 0.000 2.416 ( 0.000 0.000 0.000) 0.000 2.432 ( 0.000 0.000 0.000) 0.000 2.449 ( 0.000 0.000 0.000) 0.000 2.557 ( 0.000 0.000 0.000) 0.000 2.577 ( 0.000 0.000 0.000) 0.000 2.582 ( 0.000 0.000 0.000) 0.000 2.615 ( 0.000 0.000 0.000) 0.000 2.691 ( 0.000 0.000 0.000) 0.000 2.695 ( 0.000 0.000 0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 2.735 ( 0.000 0.000 0.000) 0.000 2.768 ( 0.000 0.000 0.000) 0.000 2.782 ( 0.000 0.000 0.000) 0.000 2.832 ( 0.000 0.000 0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 2.928 ( 0.000 0.000 0.000) 0.000 2.929 ( 0.000 0.000 0.000) 0.000 2.971 ( 0.000 0.000 0.000) 0.000 2.972 ( 0.000 0.000 0.000) 0.000 2.989 ( 0.000 0.000 0.000) 0.000 3.117 ( 0.000 0.000 0.000) 0.000 3.122 ( 0.000 0.000 0.000) 0.000 3.148 ( 0.000 0.000 0.000) 0.000 3.246 ( 0.000 0.000 0.000) 0.000 3.272 ( 0.000 0.000 0.000) 0.000 3.382 ( 0.000 0.000 0.000) 0.000 3.497 ( 0.000 0.000 0.000) 0.000 3.523 ( 0.000 0.000 0.000) 0.000 3.570 ( 0.000 0.000 0.000) 0.000 3.649 ( 0.000 0.000 0.000) 0.000 3.674 ( 0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 0.000) 0.000 3.765 ( 0.000 0.000 0.000) 0.000 3.800 ( 0.000 0.000 0.000) 0.000 3.812 ( 0.000 0.000 0.000) 0.000 3.826 ( 0.000 0.000 0.000) 0.000 3.851 ( 0.000 0.000 0.000) 0.000 3.865 ( 0.000 0.000 0.000) 0.000 3.875 ( 0.000 0.000 0.000) 0.000 3.981 ( 0.000 0.000 0.000) 0.000 3.983 ( 0.000 0.000 0.000) 0.000 4.143 ( 0.000 0.000 0.000) 0.000 4.222 ( 0.000 0.000 0.000) 0.000 4.246 ( 0.000 0.000 0.000) 0.000 4.304 ( 0.000 0.000 0.000) 0.000 4.350 ( 0.000 0.000 0.000) 0.000 4.406 ( 0.000 0.000 0.000) 0.000 4.430 ( 0.000 0.000 0.000) 0.000 4.474 ( 0.000 0.000 0.000) 0.000 4.492 ( 0.000 0.000 0.000) 0.000 4.564 ( 0.000 0.000 0.000) 0.000 4.576 ( 0.000 0.000 0.000) 0.000 4.627 ( 0.000 0.000 0.000) 0.000 4.637 ( 0.000 0.000 0.000) 0.000 4.882 ( 0.000 0.000 0.000) 0.000 4.888 ( 0.000 0.000 0.000) 0.000 4.906 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 0.000 0.000) 0.000 4.954 ( 0.000 0.000 0.000) 0.000 4.956 ( 0.000 0.000 0.000) 0.000 5.110 ( 0.000 0.000 0.000) 0.000 5.154 ( 0.000 0.000 0.000) 0.000 5.194 ( 0.000 0.000 0.000) 0.000 5.278 ( 0.000 0.000 0.000) 0.000 5.340 ( 0.000 0.000 0.000) 0.000 5.569 ( 0.000 0.000 0.000) 0.000 5.572 ( 0.000 0.000 0.000) 0.000 5.606 ( 0.000 0.000 0.000) 0.000 5.617 ( 0.000 0.000 0.000) 0.000 6.463 ( 0.000 0.000 0.000) 0.000 6.474 ( 0.000 0.000 0.000) 0.000 6.491 ( 0.000 0.000 0.000) 0.000 6.604 ( 0.000 0.000 0.000) 0.000 6.658 ( 0.000 0.000 0.000) 0.000 6.684 ( 0.000 0.000 0.000) 0.000 6.794 ( 0.000 0.000 0.000) 0.000 6.884 ( 0.000 0.000 0.000) 0.000 6.964 ( 0.000 0.000 0.000) 0.000 7.047 ( 0.000 0.000 0.000) 0.000 7.243 ( 0.000 0.000 0.000) 0.000 7.301 ( 0.000 0.000 0.000) 0.000 7.419 ( 0.000 0.000 0.000) 0.000 7.434 ( 0.000 0.000 0.000) 0.000 7.459 ( 0.000 0.000 0.000) 0.000 7.535 ( 0.000 0.000 0.000) 0.000 7.906 ( 0.000 0.000 0.000) 0.000 7.922 ( 0.000 0.000 0.000) 0.000 8.103 ( 0.000 0.000 0.000) 0.000 8.129 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/50) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 29.344 0.000 -0.998) 29.361 0.564 ( 22.407 0.000 17.922) 28.693 0.799 ( 33.592 0.000 19.095) 38.640 1.178 ( 12.003 0.000 -5.055) 13.024 1.233 ( 10.860 0.000 -7.441) 13.165 1.449 ( -4.873 0.000 -10.656) 11.717 1.486 ( -0.895 0.000 -12.960) 12.991 1.844 ( 5.021 0.000 7.949) 9.402 1.850 ( 3.117 0.000 3.696) 4.835 1.967 ( 4.278 0.000 -5.235) 6.761 1.986 ( 2.941 0.000 0.362) 2.963 2.014 ( 2.480 0.000 1.583) 2.942 2.062 ( -5.859 0.000 -0.809) 5.915 2.177 ( 6.833 0.000 8.658) 11.030 2.191 ( -6.761 0.000 1.641) 6.957 2.219 ( -1.876 0.000 2.198) 2.889 2.372 ( -0.592 0.000 -5.350) 5.383 2.389 ( -2.909 0.000 0.558) 2.962 2.411 ( 6.682 0.000 0.772) 6.727 2.438 ( -5.228 0.000 -1.261) 5.378 2.448 ( 0.861 0.000 -1.248) 1.516 2.501 ( -3.794 0.000 4.948) 6.235 2.527 ( 2.653 0.000 -2.235) 3.469 2.550 ( 3.039 0.000 5.059) 5.901 2.567 ( 0.602 0.000 -1.738) 1.839 2.575 ( 1.056 0.000 -2.011) 2.272 2.644 ( -2.801 0.000 0.074) 2.802 2.667 ( -0.912 0.000 -5.783) 5.855 2.687 ( -0.343 0.000 0.102) 0.358 2.725 ( 0.426 0.000 -6.729) 6.743 2.784 ( 1.198 0.000 1.412) 1.852 2.812 ( 0.961 0.000 4.371) 4.476 2.816 ( -2.171 0.000 1.842) 2.847 2.917 ( 2.082 0.000 -3.067) 3.707 2.919 ( -1.474 0.000 -4.756) 4.979 2.944 ( -0.512 0.000 3.753) 3.787 2.982 ( -1.005 0.000 -0.550) 1.146 3.047 ( -4.818 0.000 -4.833) 6.824 3.055 ( -0.288 0.000 -1.358) 1.389 3.056 ( 3.418 0.000 6.293) 7.162 3.128 ( -7.067 0.000 6.706) 9.742 3.209 ( 4.685 0.000 2.224) 5.186 3.218 ( -2.312 0.000 6.291) 6.702 3.316 ( -9.952 0.000 7.959) 12.743 3.373 ( 1.523 0.000 4.780) 5.017 3.421 ( -15.522 0.000 7.942) 17.436 3.452 ( -5.718 0.000 3.858) 6.898 3.530 ( 0.052 0.000 3.871) 3.872 3.583 ( 2.164 0.000 -2.536) 3.334 3.668 ( -3.534 0.000 12.297) 12.795 3.698 ( -4.181 0.000 6.002) 7.315 3.761 ( -2.953 0.000 6.649) 7.275 3.845 ( -0.169 0.000 -2.258) 2.264 3.864 ( 4.082 0.000 5.575) 6.910 3.885 ( 0.965 0.000 6.969) 7.036 3.888 ( 2.906 0.000 3.925) 4.884 3.905 ( 5.175 0.000 2.444) 5.723 3.982 ( 4.139 0.000 -2.022) 4.607 4.063 ( 7.326 0.000 -5.779) 9.331 4.091 ( 10.572 0.000 -6.163) 12.237 4.179 ( 5.123 0.000 -2.784) 5.831 4.231 ( -3.915 0.000 -2.745) 4.782 4.237 ( 3.183 0.000 -2.611) 4.117 4.254 ( 3.837 0.000 -3.169) 4.977 4.357 ( 1.169 0.000 -4.580) 4.727 4.405 ( -1.687 0.000 -5.115) 5.386 4.415 ( -0.559 0.000 -4.792) 4.825 4.529 ( 2.712 0.000 0.705) 2.802 4.533 ( -3.826 0.000 1.503) 4.111 4.548 ( -3.291 0.000 1.655) 3.683 4.565 ( -0.989 0.000 0.569) 1.141 4.613 ( -5.229 0.000 0.691) 5.275 4.653 ( 0.998 0.000 -0.560) 1.145 4.814 ( -5.504 0.000 0.259) 5.510 4.915 ( 1.487 0.000 -4.607) 4.841 4.926 ( -1.927 0.000 -3.060) 3.616 4.937 ( -2.193 0.000 1.464) 2.637 4.939 ( -2.784 0.000 0.901) 2.927 5.015 ( -2.148 0.000 -12.798) 12.977 5.050 ( -2.827 0.000 -7.014) 7.562 5.195 ( 2.192 0.000 -2.476) 3.307 5.210 ( 3.639 0.000 -3.436) 5.005 5.283 ( 0.598 0.000 -0.507) 0.784 5.328 ( -0.557 0.000 -1.586) 1.681 5.572 ( 0.578 0.000 0.016) 0.578 5.591 ( -1.257 0.000 -0.441) 1.332 5.595 ( 1.904 0.000 0.119) 1.907 5.606 ( -0.956 0.000 -0.525) 1.091 6.464 ( -1.196 0.000 2.563) 2.828 6.472 ( -0.404 0.000 0.471) 0.620 6.491 ( 0.114 0.000 -0.318) 0.338 6.579 ( -1.703 0.000 -1.208) 2.087 6.631 ( -1.912 0.000 -1.874) 2.677 6.656 ( -2.648 0.000 -3.112) 4.086 6.800 ( 0.580 0.000 -0.233) 0.625 6.882 ( 0.058 0.000 -0.749) 0.751 6.948 ( -1.268 0.000 -1.292) 1.810 6.988 ( -2.818 0.000 -3.971) 4.870 7.273 ( 2.458 0.000 0.556) 2.520 7.349 ( 0.934 0.000 -0.902) 1.298 7.459 ( 1.806 0.000 3.424) 3.871 7.524 ( 3.779 0.000 5.169) 6.403 7.576 ( 3.003 0.000 1.776) 3.489 7.818 ( -5.233 0.000 12.061) 13.148 7.903 ( -1.165 0.000 1.575) 1.959 7.917 ( -0.179 0.000 -0.690) 0.712 8.102 ( -0.087 0.000 -0.161) 0.184 8.125 ( -0.207 0.000 -0.372) 0.426 ======================= Grid point 2 (3/50) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 26.553 0.000 -2.361) 26.657 1.105 ( 20.669 0.000 17.467) 27.061 1.304 ( 2.245 0.000 -6.452) 6.831 1.320 ( 5.386 0.000 -4.126) 6.785 1.434 ( 17.015 0.000 -7.675) 18.666 1.523 ( 24.836 0.000 13.328) 28.186 1.594 ( 20.307 0.000 -14.001) 24.665 1.881 ( -7.643 0.000 -0.339) 7.650 1.949 ( 2.396 0.000 1.543) 2.850 1.983 ( 3.886 0.000 6.117) 7.247 2.027 ( -0.054 0.000 -3.511) 3.512 2.029 ( 3.459 0.000 -1.262) 3.682 2.093 ( -6.837 0.000 -2.168) 7.172 2.107 ( -0.272 0.000 -1.095) 1.128 2.174 ( 4.336 0.000 3.865) 5.809 2.206 ( -4.383 0.000 3.246) 5.454 2.294 ( -6.545 0.000 -6.904) 9.514 2.315 ( -4.326 0.000 -6.800) 8.060 2.352 ( 1.516 0.000 2.778) 3.164 2.376 ( -5.049 0.000 2.338) 5.564 2.401 ( -2.390 0.000 5.359) 5.868 2.499 ( -4.581 0.000 -4.792) 6.629 2.543 ( -0.428 0.000 -2.665) 2.699 2.549 ( 0.966 0.000 -6.765) 6.834 2.598 ( 1.076 0.000 1.755) 2.059 2.641 ( 0.559 0.000 -1.069) 1.206 2.642 ( 1.046 0.000 -3.866) 4.005 2.681 ( 0.168 0.000 -3.073) 3.078 2.694 ( 3.259 0.000 -0.545) 3.305 2.766 ( 7.098 0.000 2.660) 7.580 2.791 ( -4.079 0.000 0.807) 4.158 2.798 ( 1.699 0.000 -0.336) 1.732 2.864 ( -0.288 0.000 -4.119) 4.129 2.878 ( -0.777 0.000 0.721) 1.060 2.887 ( -3.207 0.000 3.408) 4.680 2.944 ( -5.910 0.000 7.591) 9.620 2.949 ( -1.844 0.000 11.023) 11.176 2.979 ( -2.319 0.000 -1.095) 2.564 2.987 ( -6.552 0.000 7.956) 10.307 3.096 ( 4.625 0.000 6.111) 7.664 3.127 ( -5.847 0.000 5.764) 8.211 3.177 ( -5.056 0.000 13.470) 14.388 3.186 ( -7.764 0.000 8.476) 11.494 3.301 ( 4.191 0.000 0.802) 4.267 3.317 ( -6.537 0.000 4.434) 7.899 3.389 ( 5.081 0.000 2.684) 5.746 3.506 ( 0.987 0.000 9.946) 9.994 3.569 ( 3.024 0.000 2.877) 4.174 3.588 ( -0.278 0.000 -3.119) 3.132 3.679 ( -1.656 0.000 9.375) 9.520 3.711 ( -2.830 0.000 3.452) 4.464 3.797 ( -0.924 0.000 3.808) 3.918 3.824 ( 1.546 0.000 2.479) 2.921 3.846 ( -5.268 0.000 -3.814) 6.504 3.923 ( -1.729 0.000 2.838) 3.323 3.999 ( 3.613 0.000 6.301) 7.263 4.032 ( 4.205 0.000 4.446) 6.120 4.037 ( 2.967 0.000 4.287) 5.213 4.098 ( -3.462 0.000 -3.961) 5.260 4.107 ( 1.131 0.000 -1.884) 2.198 4.166 ( -5.651 0.000 -5.072) 7.593 4.232 ( 1.074 0.000 -2.679) 2.886 4.258 ( -3.542 0.000 -1.994) 4.065 4.301 ( 2.439 0.000 -5.445) 5.967 4.375 ( 3.654 0.000 -3.062) 4.767 4.388 ( 8.564 0.000 -3.336) 9.191 4.454 ( -1.491 0.000 -1.475) 2.097 4.473 ( 9.237 0.000 -7.908) 12.160 4.480 ( 1.511 0.000 -4.388) 4.641 4.540 ( 1.172 0.000 -2.340) 2.617 4.576 ( 0.979 0.000 -1.676) 1.942 4.584 ( 1.201 0.000 1.269) 1.747 4.654 ( 0.355 0.000 -2.268) 2.295 4.709 ( -3.568 0.000 -3.649) 5.104 4.816 ( -5.745 0.000 -3.933) 6.962 4.858 ( -3.821 0.000 -3.506) 5.186 4.883 ( -2.359 0.000 -2.472) 3.417 4.893 ( -4.143 0.000 2.458) 4.817 4.905 ( -4.421 0.000 -1.930) 4.824 4.927 ( -4.496 0.000 -6.324) 7.759 5.219 ( 1.766 0.000 -1.248) 2.162 5.245 ( 1.995 0.000 -1.743) 2.649 5.288 ( 0.254 0.000 -0.257) 0.362 5.305 ( -0.473 0.000 -1.082) 1.181 5.559 ( -1.620 0.000 -0.375) 1.663 5.577 ( -1.461 0.000 -0.705) 1.622 5.589 ( 0.877 0.000 0.418) 0.972 5.632 ( 1.671 0.000 0.081) 1.673 6.459 ( -0.839 0.000 1.222) 1.482 6.465 ( -0.916 0.000 0.829) 1.235 6.490 ( 0.181 0.000 -0.842) 0.861 6.538 ( -1.228 0.000 -1.682) 2.082 6.570 ( -2.276 0.000 -2.589) 3.447 6.584 ( -2.442 0.000 -1.901) 3.095 6.804 ( -0.133 0.000 -0.209) 0.248 6.863 ( -1.732 0.000 -1.864) 2.545 6.903 ( -0.831 0.000 -0.577) 1.012 6.940 ( -0.438 0.000 -1.648) 1.705 7.326 ( 2.549 0.000 0.268) 2.563 7.365 ( 0.677 0.000 0.541) 0.867 7.524 ( 2.255 0.000 2.675) 3.499 7.629 ( 2.695 0.000 4.832) 5.532 7.650 ( 3.038 0.000 1.459) 3.370 7.807 ( -2.711 0.000 5.016) 5.702 7.893 ( -0.667 0.000 0.586) 0.888 7.907 ( -0.181 0.000 -0.951) 0.968 8.098 ( -0.121 0.000 -0.161) 0.202 8.116 ( -0.320 0.000 -0.521) 0.611 ======================= Grid point 3 (4/50) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 6.570 0.000 -2.065) 6.887 1.471 ( 10.758 0.000 2.642) 11.077 1.477 ( 13.503 0.000 -1.864) 13.631 1.585 ( 14.798 0.000 14.522) 20.733 1.628 ( 4.423 0.000 -6.828) 8.135 1.701 ( 1.888 0.000 -1.987) 2.741 1.783 ( -9.975 0.000 -6.116) 11.701 1.863 ( 13.240 0.000 -8.775) 15.884 1.891 ( 0.236 0.000 9.910) 9.913 2.008 ( 1.095 0.000 0.301) 1.135 2.022 ( -6.759 0.000 -3.665) 7.689 2.033 ( -10.869 0.000 -11.446) 15.785 2.063 ( -1.038 0.000 -0.016) 1.038 2.126 ( 3.089 0.000 0.164) 3.093 2.129 ( -6.662 0.000 6.684) 9.437 2.166 ( 5.767 0.000 2.660) 6.351 2.236 ( 3.972 0.000 -5.800) 7.030 2.337 ( 0.586 0.000 0.504) 0.773 2.353 ( 4.195 0.000 -1.800) 4.565 2.386 ( 12.973 0.000 -3.643) 13.475 2.389 ( -9.724 0.000 6.905) 11.926 2.450 ( -3.188 0.000 2.673) 4.160 2.504 ( -0.919 0.000 -0.858) 1.257 2.510 ( 3.738 0.000 6.042) 7.105 2.566 ( -2.105 0.000 -2.317) 3.131 2.625 ( -5.023 0.000 1.014) 5.124 2.636 ( 0.907 0.000 -1.591) 1.832 2.670 ( 0.130 0.000 -2.143) 2.147 2.670 ( -2.038 0.000 5.026) 5.424 2.741 ( -5.326 0.000 -1.392) 5.505 2.743 ( -1.899 0.000 -0.998) 2.145 2.800 ( 2.281 0.000 -4.680) 5.207 2.855 ( -3.667 0.000 -1.446) 3.942 2.873 ( -0.885 0.000 1.074) 1.391 2.886 ( 4.629 0.000 0.718) 4.685 2.892 ( -3.841 0.000 3.194) 4.996 2.922 ( 0.375 0.000 -1.940) 1.976 2.936 ( -4.852 0.000 4.881) 6.882 2.998 ( -5.481 0.000 7.039) 8.921 3.086 ( -5.229 0.000 2.279) 5.703 3.152 ( -1.757 0.000 0.255) 1.775 3.160 ( 0.226 0.000 0.953) 0.979 3.308 ( 9.344 0.000 13.117) 16.105 3.357 ( 3.842 0.000 9.526) 10.272 3.405 ( 5.503 0.000 1.098) 5.612 3.478 ( 2.355 0.000 0.215) 2.365 3.543 ( -2.461 0.000 -4.218) 4.884 3.588 ( 2.290 0.000 1.629) 2.810 3.635 ( 1.740 0.000 4.187) 4.534 3.640 ( -9.537 0.000 -3.304) 10.093 3.689 ( -0.228 0.000 0.586) 0.628 3.761 ( 2.903 0.000 4.876) 5.675 3.831 ( -0.024 0.000 1.375) 1.376 3.838 ( -5.156 0.000 -4.124) 6.603 3.913 ( 3.203 0.000 2.538) 4.086 3.974 ( -4.237 0.000 -4.215) 5.976 3.993 ( -2.661 0.000 -3.476) 4.378 4.078 ( -0.701 0.000 0.933) 1.167 4.110 ( 1.558 0.000 1.987) 2.525 4.120 ( 0.883 0.000 1.299) 1.571 4.127 ( -2.387 0.000 2.844) 3.713 4.156 ( -0.555 0.000 -0.968) 1.116 4.195 ( -4.437 0.000 -4.657) 6.432 4.240 ( 0.369 0.000 -0.194) 0.417 4.394 ( 1.022 0.000 2.489) 2.690 4.477 ( 0.174 0.000 -2.481) 2.487 4.492 ( 1.909 0.000 -0.125) 1.913 4.544 ( 0.122 0.000 -2.691) 2.693 4.566 ( 3.436 0.000 -0.737) 3.514 4.584 ( 9.410 0.000 -2.320) 9.692 4.628 ( 1.337 0.000 -2.713) 3.025 4.630 ( 7.154 0.000 -3.735) 8.070 4.656 ( 4.016 0.000 -2.334) 4.645 4.688 ( 5.740 0.000 -1.889) 6.043 4.725 ( -1.602 0.000 -0.663) 1.734 4.750 ( -5.857 0.000 -0.626) 5.890 4.769 ( -7.724 0.000 -1.003) 7.789 4.786 ( -6.414 0.000 -0.593) 6.441 4.818 ( -5.545 0.000 2.653) 6.147 4.822 ( -3.171 0.000 -1.971) 3.733 5.237 ( 0.709 0.000 -0.538) 0.890 5.261 ( 0.692 0.000 -0.605) 0.919 5.290 ( -0.014 0.000 0.126) 0.127 5.297 ( 0.017 0.000 -0.266) 0.267 5.533 ( -0.768 0.000 -0.098) 0.774 5.550 ( -0.711 0.000 -0.313) 0.777 5.605 ( 0.389 0.000 0.367) 0.534 5.653 ( 0.540 0.000 -0.136) 0.557 6.450 ( -0.607 0.000 -0.084) 0.613 6.453 ( -0.679 0.000 0.731) 0.998 6.488 ( 0.184 0.000 -0.460) 0.495 6.511 ( -0.498 0.000 -0.871) 1.003 6.529 ( -0.580 0.000 -0.892) 1.064 6.543 ( -0.795 0.000 -0.747) 1.091 6.796 ( -0.270 0.000 -0.211) 0.342 6.818 ( -1.087 0.000 -0.902) 1.412 6.903 ( 0.161 0.000 0.218) 0.271 6.930 ( -0.002 0.000 -0.391) 0.391 7.364 ( 1.360 0.000 -0.357) 1.406 7.377 ( -0.068 0.000 0.771) 0.774 7.571 ( 0.966 0.000 1.052) 1.428 7.688 ( 0.916 0.000 1.763) 1.987 7.702 ( 1.505 0.000 0.389) 1.555 7.794 ( -1.277 0.000 1.692) 2.119 7.887 ( -0.230 0.000 0.091) 0.248 7.900 ( -0.039 0.000 -0.377) 0.379 8.096 ( -0.039 0.000 -0.026) 0.047 8.108 ( -0.183 0.000 -0.290) 0.343 ======================= Grid point 7 (5/50) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( 0.000 21.320 0.000) 21.320 0.568 ( 0.000 30.794 0.000) 30.794 0.732 ( 0.000 37.445 0.000) 37.445 0.768 ( 0.000 -17.527 0.000) 17.527 1.110 ( 0.000 -28.498 0.000) 28.498 1.413 ( 0.000 15.737 0.000) 15.737 1.427 ( 0.000 -35.769 0.000) 35.769 1.683 ( 0.000 -12.787 0.000) 12.787 1.820 ( 0.000 2.855 0.000) 2.855 1.893 ( 0.000 9.310 0.000) 9.310 1.906 ( 0.000 -1.597 0.000) 1.597 2.072 ( 0.000 14.379 0.000) 14.379 2.104 ( 0.000 -10.871 0.000) 10.871 2.149 ( 0.000 7.403 0.000) 7.403 2.250 ( 0.000 -0.514 0.000) 0.514 2.269 ( 0.000 0.262 0.000) 0.262 2.319 ( 0.000 -0.754 0.000) 0.754 2.354 ( 0.000 1.054 0.000) 1.054 2.374 ( 0.000 -2.542 0.000) 2.542 2.423 ( 0.000 -0.218 0.000) 0.218 2.472 ( 0.000 1.458 0.000) 1.458 2.475 ( 0.000 0.396 0.000) 0.396 2.546 ( 0.000 -7.516 0.000) 7.516 2.597 ( 0.000 -5.714 0.000) 5.714 2.614 ( 0.000 2.161 0.000) 2.161 2.639 ( 0.000 -0.614 0.000) 0.614 2.643 ( 0.000 2.309 0.000) 2.309 2.678 ( 0.000 0.605 0.000) 0.605 2.685 ( 0.000 0.527 0.000) 0.527 2.737 ( 0.000 6.342 0.000) 6.342 2.778 ( 0.000 -3.757 0.000) 3.757 2.836 ( 0.000 9.742 0.000) 9.742 2.848 ( 0.000 3.334 0.000) 3.334 2.873 ( 0.000 -2.987 0.000) 2.987 2.903 ( 0.000 -1.461 0.000) 1.461 2.911 ( 0.000 2.397 0.000) 2.397 2.984 ( 0.000 0.012 0.000) 0.012 2.992 ( 0.000 0.009 0.000) 0.009 3.057 ( 0.000 3.781 0.000) 3.781 3.115 ( 0.000 -1.306 0.000) 1.306 3.143 ( 0.000 3.977 0.000) 3.977 3.172 ( 0.000 4.648 0.000) 4.648 3.227 ( 0.000 -4.694 0.000) 4.694 3.316 ( 0.000 -7.039 0.000) 7.039 3.345 ( 0.000 7.791 0.000) 7.791 3.432 ( 0.000 -1.084 0.000) 1.084 3.484 ( 0.000 -5.466 0.000) 5.466 3.535 ( 0.000 -14.545 0.000) 14.545 3.668 ( 0.000 2.059 0.000) 2.059 3.687 ( 0.000 4.894 0.000) 4.894 3.714 ( 0.000 -3.219 0.000) 3.219 3.725 ( 0.000 6.812 0.000) 6.812 3.771 ( 0.000 -4.458 0.000) 4.458 3.788 ( 0.000 -0.568 0.000) 0.568 3.864 ( 0.000 2.317 0.000) 2.317 3.871 ( 0.000 1.942 0.000) 1.942 3.882 ( 0.000 0.180 0.000) 0.180 3.968 ( 0.000 -3.267 0.000) 3.267 3.982 ( 0.000 -0.073 0.000) 0.073 3.994 ( 0.000 -3.165 0.000) 3.165 4.183 ( 0.000 6.068 0.000) 6.068 4.239 ( 0.000 4.957 0.000) 4.957 4.265 ( 0.000 -3.230 0.000) 3.230 4.351 ( 0.000 -5.123 0.000) 5.123 4.356 ( 0.000 2.169 0.000) 2.169 4.374 ( 0.000 -0.358 0.000) 0.358 4.490 ( 0.000 4.511 0.000) 4.511 4.506 ( 0.000 1.404 0.000) 1.404 4.523 ( 0.000 0.903 0.000) 0.903 4.560 ( 0.000 -0.305 0.000) 0.305 4.563 ( 0.000 -1.065 0.000) 1.065 4.591 ( 0.000 -3.789 0.000) 3.789 4.861 ( 0.000 -0.771 0.000) 0.771 4.866 ( 0.000 -1.079 0.000) 1.079 4.947 ( 0.000 2.175 0.000) 2.175 4.953 ( 0.000 0.087 0.000) 0.087 4.955 ( 0.000 -0.085 0.000) 0.085 4.965 ( 0.000 0.335 0.000) 0.335 5.106 ( 0.000 -0.324 0.000) 0.324 5.107 ( 0.000 -0.576 0.000) 0.576 5.164 ( 0.000 0.940 0.000) 0.940 5.183 ( 0.000 -0.998 0.000) 0.998 5.346 ( 0.000 0.535 0.000) 0.535 5.355 ( 0.000 -0.393 0.000) 0.393 5.570 ( 0.000 0.084 0.000) 0.084 5.571 ( 0.000 -0.063 0.000) 0.063 5.609 ( 0.000 0.270 0.000) 0.270 5.614 ( 0.000 -0.271 0.000) 0.271 6.466 ( 0.000 0.291 0.000) 0.291 6.471 ( 0.000 -0.289 0.000) 0.289 6.602 ( 0.000 -0.109 0.000) 0.109 6.605 ( 0.000 -0.550 0.000) 0.550 6.672 ( 0.000 1.010 0.000) 1.010 6.684 ( 0.000 -0.226 0.000) 0.226 6.889 ( 0.000 0.591 0.000) 0.591 6.901 ( 0.000 -0.589 0.000) 0.589 7.030 ( 0.000 0.394 0.000) 0.394 7.041 ( 0.000 -0.626 0.000) 0.626 7.255 ( 0.000 1.253 0.000) 1.253 7.283 ( 0.000 -1.605 0.000) 1.605 7.433 ( 0.000 0.021 0.000) 0.021 7.434 ( 0.000 -0.086 0.000) 0.086 7.483 ( 0.000 2.111 0.000) 2.111 7.520 ( 0.000 -1.623 0.000) 1.623 7.910 ( 0.000 0.377 0.000) 0.377 7.918 ( 0.000 -0.395 0.000) 0.395 8.121 ( 0.000 0.263 0.000) 0.263 8.126 ( 0.000 -0.238 0.000) 0.238 ======================= Grid point 8 (6/50) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 12.204 13.954 4.743) 19.135 0.705 ( 27.953 11.303 -8.266) 31.264 0.909 ( 8.670 -19.084 -5.086) 21.569 0.990 ( 9.252 -22.315 -10.955) 26.525 1.197 ( 22.406 29.577 21.179) 42.724 1.480 ( 8.951 13.902 -6.153) 17.642 1.714 ( 4.926 -10.364 -4.607) 12.366 1.734 ( 14.925 -26.186 15.745) 34.005 1.846 ( 1.089 1.523 2.493) 3.118 1.916 ( -2.118 -4.977 1.146) 5.529 1.934 ( -0.562 15.514 -5.345) 16.419 1.989 ( 4.968 7.543 5.908) 10.793 2.122 ( -5.780 -0.170 -1.237) 5.913 2.138 ( -1.820 3.165 -1.975) 4.151 2.191 ( -0.690 2.066 0.479) 2.230 2.231 ( 0.023 -1.421 1.475) 2.048 2.297 ( -4.607 -10.335 -6.276) 12.939 2.337 ( -0.143 -6.433 -4.501) 7.853 2.367 ( 1.335 -0.438 -3.271) 3.560 2.382 ( 1.634 -2.083 2.255) 3.478 2.469 ( -6.232 1.404 -2.399) 6.824 2.509 ( -4.371 -2.596 -3.854) 6.380 2.537 ( 0.015 1.631 0.741) 1.792 2.564 ( 2.129 1.000 0.492) 2.403 2.590 ( 2.229 2.981 1.835) 4.150 2.611 ( -1.046 -0.133 0.121) 1.061 2.647 ( -0.345 -2.120 -0.235) 2.161 2.669 ( -3.021 0.585 -1.720) 3.525 2.708 ( -1.737 1.194 -2.658) 3.392 2.730 ( -1.430 -2.556 -1.556) 3.317 2.767 ( -0.558 1.347 -1.461) 2.065 2.798 ( 2.004 -0.501 1.580) 2.601 2.834 ( -0.075 -1.317 -1.964) 2.366 2.888 ( -0.006 -3.162 0.310) 3.177 2.935 ( 3.008 4.782 2.391) 6.135 2.955 ( 1.890 6.170 1.002) 6.530 3.004 ( -0.005 1.191 2.071) 2.389 3.047 ( 0.387 -2.964 0.008) 2.989 3.080 ( 3.112 3.375 1.812) 4.936 3.115 ( -4.438 5.058 1.189) 6.834 3.139 ( -2.967 0.995 4.338) 5.349 3.201 ( -0.776 -1.857 6.896) 7.184 3.242 ( 2.049 3.771 6.220) 7.557 3.298 ( -7.069 -1.365 9.138) 11.633 3.375 ( -5.575 2.093 5.915) 8.393 3.403 ( -3.206 -2.110 2.236) 4.442 3.453 ( -4.023 -5.205 6.325) 9.126 3.468 ( -1.858 -1.332 2.735) 3.564 3.584 ( -3.812 -4.464 8.268) 10.140 3.639 ( -3.712 -1.579 6.468) 7.623 3.699 ( -0.486 2.655 1.954) 3.332 3.731 ( -2.845 -3.400 8.629) 9.701 3.797 ( 0.527 3.571 6.014) 7.015 3.843 ( 0.364 0.799 1.677) 1.893 3.847 ( 1.120 -3.128 4.237) 5.385 3.917 ( 1.220 -3.062 1.380) 3.573 3.996 ( 4.409 3.775 -2.416) 6.287 4.035 ( 6.673 2.696 -2.069) 7.488 4.048 ( 4.839 -1.701 -4.303) 6.695 4.072 ( 10.376 -1.573 -5.606) 11.898 4.210 ( 1.313 2.702 -0.219) 3.013 4.248 ( 1.325 2.995 -3.386) 4.710 4.251 ( 3.310 2.300 -2.713) 4.859 4.332 ( 0.532 1.242 -6.413) 6.554 4.362 ( 0.846 0.997 -3.687) 3.912 4.381 ( 1.059 -2.569 -0.755) 2.879 4.440 ( -2.476 1.379 -2.299) 3.650 4.471 ( -1.264 -0.691 -1.671) 2.206 4.507 ( -1.568 -1.417 -0.600) 2.197 4.523 ( -2.646 -2.475 -2.911) 4.648 4.580 ( 0.335 0.732 0.785) 1.125 4.593 ( -0.008 -0.670 0.624) 0.916 4.748 ( -7.620 4.454 2.094) 9.071 4.800 ( -6.440 -1.700 1.523) 6.832 4.925 ( -0.800 1.237 -3.652) 3.938 4.936 ( -2.452 -0.188 0.992) 2.652 4.942 ( -1.251 0.696 -1.947) 2.417 4.950 ( -1.358 0.727 -2.733) 3.137 5.017 ( -2.741 0.483 -10.295) 10.665 5.037 ( -2.813 -1.297 -6.800) 7.473 5.191 ( 2.485 -0.172 -1.858) 3.108 5.196 ( 2.083 -0.684 -1.160) 2.480 5.315 ( -0.237 1.730 -2.912) 3.395 5.329 ( -0.547 -0.060 -2.136) 2.206 5.574 ( 0.743 0.293 -0.099) 0.805 5.583 ( 1.038 -0.675 -0.063) 1.239 5.597 ( -0.825 0.381 -0.213) 0.933 5.605 ( -0.857 -0.314 -0.553) 1.067 6.465 ( -0.489 0.212 0.954) 1.093 6.470 ( -0.429 -0.258 0.596) 0.778 6.540 ( -2.669 3.008 -1.219) 4.203 6.572 ( -1.977 -0.817 -1.284) 2.495 6.632 ( -2.066 0.473 -1.730) 2.736 6.648 ( -2.663 -0.871 -2.493) 3.751 6.845 ( -1.100 3.458 -2.320) 4.307 6.881 ( -0.283 -0.444 -1.504) 1.594 6.947 ( -1.692 0.297 -1.621) 2.362 6.969 ( -2.821 -1.729 -3.486) 4.806 7.291 ( 2.372 1.859 0.207) 3.021 7.329 ( 1.601 -1.972 -0.620) 2.614 7.477 ( 1.939 1.820 3.773) 4.616 7.513 ( 2.592 -1.524 3.950) 4.965 7.592 ( 4.334 2.285 5.341) 7.248 7.685 ( 3.596 -8.547 12.140) 15.276 7.905 ( -0.463 0.350 -0.073) 0.585 7.912 ( -0.261 -0.431 -0.550) 0.746 8.113 ( -0.445 0.656 -0.291) 0.844 8.122 ( -0.264 -0.329 -0.370) 0.561 ======================= Grid point 9 (7/50) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 19.889 -4.057 12.832) 24.014 1.022 ( 11.267 -11.741 2.626) 16.483 1.187 ( 27.407 5.270 -6.463) 28.648 1.311 ( 23.542 -8.235 -9.581) 26.718 1.602 ( 6.575 12.913 -8.270) 16.685 1.740 ( 14.103 14.469 7.147) 21.432 1.778 ( 8.538 11.052 -0.213) 13.968 1.806 ( 2.463 -3.235 -4.903) 6.369 1.908 ( 1.171 -4.455 3.007) 5.501 1.950 ( -2.735 3.947 -1.585) 5.056 2.013 ( 2.278 -0.102 6.291) 6.692 2.065 ( -1.407 -2.407 5.032) 5.753 2.085 ( -0.539 -5.420 -0.654) 5.486 2.146 ( 0.208 -2.196 2.134) 3.070 2.169 ( 1.489 -0.000 -2.743) 3.121 2.188 ( -1.326 -3.493 0.216) 3.742 2.215 ( -0.114 -0.820 -7.624) 7.669 2.285 ( -3.245 -1.036 -6.721) 7.535 2.345 ( -0.612 -1.694 2.635) 3.192 2.385 ( 2.298 1.374 3.131) 4.120 2.414 ( -0.538 -3.083 -1.151) 3.335 2.423 ( -3.511 -1.472 1.167) 3.982 2.507 ( -3.105 -3.292 -2.487) 5.163 2.546 ( 1.015 -3.619 -1.632) 4.098 2.581 ( -2.331 0.309 2.549) 3.468 2.613 ( -2.769 0.730 0.079) 2.865 2.633 ( 1.282 0.433 -2.365) 2.725 2.634 ( 2.736 -0.104 -3.583) 4.510 2.674 ( 0.014 -2.203 -3.034) 3.749 2.714 ( 3.260 -3.784 -0.321) 5.005 2.750 ( 0.391 2.065 0.299) 2.123 2.810 ( -1.689 -3.250 0.725) 3.734 2.859 ( 1.506 1.937 1.810) 3.049 2.899 ( -2.114 0.042 1.211) 2.436 2.929 ( -13.655 2.324 6.092) 15.131 2.954 ( -8.338 0.679 2.339) 8.687 2.980 ( -3.540 0.991 3.380) 4.994 3.003 ( -0.419 2.748 3.129) 4.185 3.044 ( 1.277 -0.566 3.801) 4.050 3.071 ( -1.450 -3.922 2.433) 4.838 3.164 ( -6.964 3.164 10.146) 12.707 3.188 ( -9.864 -0.166 10.584) 14.469 3.247 ( 1.882 9.527 8.605) 12.975 3.329 ( 3.985 1.424 3.114) 5.254 3.370 ( 3.341 2.596 5.381) 6.845 3.394 ( 1.414 4.891 1.977) 5.461 3.463 ( 0.489 -8.346 4.464) 9.477 3.552 ( 3.437 -0.378 3.532) 4.943 3.610 ( -1.079 1.366 5.619) 5.883 3.633 ( -2.900 0.676 3.003) 4.230 3.712 ( -0.457 -3.823 4.944) 6.267 3.780 ( 0.198 -6.523 2.050) 6.841 3.832 ( -0.525 2.530 0.839) 2.717 3.846 ( 0.560 0.601 1.929) 2.097 3.877 ( -3.137 2.348 2.927) 4.891 3.961 ( 1.236 -4.857 4.211) 6.546 4.032 ( -0.238 0.246 -0.105) 0.359 4.045 ( 2.764 -0.631 3.702) 4.663 4.112 ( 0.647 3.517 0.538) 3.616 4.145 ( -1.315 1.468 -3.945) 4.410 4.170 ( -3.306 0.192 -2.383) 4.080 4.221 ( -3.681 -3.515 -4.187) 6.591 4.278 ( 0.986 3.248 -3.025) 4.546 4.308 ( 0.698 0.138 -5.046) 5.095 4.383 ( 0.338 1.337 -3.320) 3.596 4.405 ( 4.149 0.424 -3.204) 5.259 4.449 ( 3.915 0.493 -2.062) 4.453 4.466 ( 3.182 -0.931 -3.655) 4.935 4.482 ( 9.329 0.677 -6.370) 11.316 4.523 ( 5.044 -3.156 -1.544) 6.147 4.567 ( -0.805 2.067 -1.188) 2.516 4.598 ( 0.262 -0.723 -0.678) 1.025 4.664 ( -2.179 1.250 -1.392) 2.872 4.692 ( -3.759 -1.537 -2.054) 4.551 4.834 ( -4.369 1.561 -5.328) 7.065 4.855 ( -3.600 -0.527 -4.612) 5.874 4.891 ( -4.530 0.073 1.893) 4.910 4.892 ( -3.979 0.066 0.291) 3.990 4.907 ( -3.616 0.737 -4.205) 5.595 4.923 ( -4.273 -0.517 -5.888) 7.293 5.220 ( 1.870 0.244 -1.025) 2.146 5.231 ( 2.010 -0.951 -0.979) 2.429 5.301 ( -0.016 0.746 -1.068) 1.303 5.307 ( -0.342 0.024 -1.202) 1.250 5.564 ( -1.532 0.451 -0.396) 1.646 5.572 ( -1.385 -0.434 -0.463) 1.523 5.597 ( 0.998 0.881 0.219) 1.349 5.618 ( 1.489 -1.305 0.128) 1.984 6.461 ( -0.748 0.129 0.943) 1.211 6.463 ( -0.844 -0.161 0.844) 1.204 6.506 ( -0.568 1.467 -1.064) 1.899 6.530 ( -1.155 -0.944 -1.529) 2.136 6.572 ( -2.261 0.276 -2.353) 3.275 6.579 ( -2.324 -0.423 -1.982) 3.084 6.821 ( -0.755 1.657 -0.863) 2.015 6.851 ( -1.616 -1.285 -1.725) 2.691 6.910 ( -0.562 0.717 -0.717) 1.159 6.928 ( -0.383 -1.091 -1.276) 1.722 7.336 ( 2.082 0.959 0.235) 2.304 7.355 ( 1.154 -0.948 0.368) 1.538 7.544 ( 2.360 2.123 2.723) 4.182 7.591 ( 2.648 -2.659 2.876) 4.728 7.693 ( 2.162 3.344 4.107) 5.721 7.763 ( -0.493 -4.013 5.261) 6.635 7.896 ( -0.391 0.326 -0.004) 0.509 7.903 ( -0.218 -0.390 -0.639) 0.780 8.104 ( -0.281 0.506 -0.307) 0.655 8.113 ( -0.337 -0.378 -0.477) 0.696 ======================= Grid point 10 (8/50) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 13.316 -0.216 6.152) 14.670 1.382 ( 14.141 -6.631 8.636) 17.847 1.579 ( 10.843 3.233 -3.990) 11.998 1.603 ( 10.585 1.064 -2.693) 10.974 1.645 ( 9.233 5.648 -3.666) 11.428 1.764 ( -3.670 5.669 -0.849) 6.806 1.773 ( -3.681 -3.139 -5.327) 7.196 1.878 ( 0.455 0.472 -5.727) 5.765 1.880 ( -4.994 -6.001 -0.704) 7.839 1.933 ( -5.464 -1.882 -2.427) 6.267 1.963 ( 2.600 1.216 0.545) 2.921 2.033 ( 0.123 -2.525 -1.881) 3.151 2.122 ( -4.549 1.117 -1.861) 5.040 2.132 ( -5.678 -0.084 3.995) 6.943 2.163 ( 3.856 4.553 0.639) 6.001 2.184 ( -0.693 3.000 0.293) 3.093 2.239 ( 4.878 -1.024 -5.018) 7.073 2.287 ( 0.817 -5.819 4.470) 7.383 2.321 ( -0.160 -1.493 -1.041) 1.827 2.344 ( 0.270 -2.604 -3.270) 4.189 2.413 ( 5.811 1.861 -3.253) 6.915 2.444 ( 0.061 -0.550 -2.359) 2.423 2.521 ( -3.099 3.352 1.642) 4.851 2.555 ( 1.096 1.153 2.614) 3.060 2.585 ( 1.826 0.790 0.883) 2.177 2.608 ( -4.242 2.319 7.740) 9.125 2.624 ( 0.942 1.101 -0.402) 1.504 2.650 ( -1.014 -2.042 3.183) 3.916 2.714 ( -3.241 0.520 4.074) 5.232 2.732 ( -0.655 -2.161 6.810) 7.174 2.752 ( -1.957 -3.622 3.300) 5.277 2.768 ( 1.938 0.985 -2.912) 3.634 2.808 ( -1.109 -2.977 -2.035) 3.773 2.846 ( 4.382 -2.045 -0.782) 4.898 2.891 ( 0.529 0.034 -4.492) 4.523 2.898 ( 0.432 0.028 -1.169) 1.247 2.943 ( -1.672 4.020 1.871) 4.739 2.985 ( -6.603 1.820 5.987) 9.097 3.032 ( -5.446 4.117 6.314) 9.299 3.079 ( -0.855 1.298 2.145) 2.649 3.113 ( -2.849 -3.512 1.952) 4.925 3.149 ( 2.788 -3.320 2.986) 5.264 3.348 ( -1.693 4.961 1.481) 5.447 3.377 ( 4.360 1.515 1.988) 5.026 3.440 ( 0.381 -1.490 -0.200) 1.551 3.454 ( 0.177 0.851 1.753) 1.957 3.504 ( -4.745 -3.795 -2.983) 6.768 3.524 ( 2.315 -3.373 2.129) 4.612 3.626 ( 0.895 1.064 2.049) 2.477 3.679 ( 0.843 -2.691 0.336) 2.839 3.697 ( 0.855 3.529 3.900) 5.329 3.731 ( -4.210 -1.903 0.037) 4.621 3.833 ( -0.393 2.173 1.460) 2.647 3.866 ( 1.757 -1.446 -1.306) 2.624 3.904 ( 1.296 2.447 3.968) 4.839 3.954 ( -2.079 -2.446 -0.805) 3.310 4.055 ( -0.582 3.090 0.352) 3.164 4.085 ( -0.645 -0.601 -0.137) 0.892 4.101 ( -1.407 1.680 -1.341) 2.569 4.118 ( -0.320 0.401 0.789) 0.941 4.129 ( -0.655 -1.318 0.552) 1.572 4.137 ( 1.140 -0.349 0.799) 1.435 4.225 ( -3.928 1.336 -3.588) 5.485 4.236 ( -0.995 -0.279 -0.583) 1.186 4.376 ( 0.326 -0.328 0.060) 0.466 4.413 ( -0.121 -4.037 -2.003) 4.508 4.528 ( 1.331 2.168 -0.748) 2.652 4.558 ( 1.006 -0.772 -1.960) 2.334 4.575 ( 3.974 1.704 -1.113) 4.465 4.591 ( 7.809 0.293 -1.811) 8.021 4.635 ( 1.937 0.276 -0.802) 2.114 4.644 ( 2.063 -0.935 -1.238) 2.581 4.646 ( 8.210 1.605 -3.160) 8.942 4.678 ( 6.660 -1.301 -1.750) 7.008 4.733 ( -2.072 1.295 -3.184) 4.013 4.755 ( -3.647 -0.175 -2.289) 4.309 4.775 ( -7.239 0.620 -0.839) 7.314 4.788 ( -6.223 -0.587 -0.524) 6.273 4.801 ( -6.320 -0.096 1.115) 6.418 4.816 ( -5.062 -0.954 0.389) 5.166 5.241 ( 0.757 0.487 -0.412) 0.990 5.253 ( 0.781 -0.747 -0.390) 1.149 5.295 ( -0.092 0.384 -0.108) 0.409 5.298 ( -0.029 0.019 -0.318) 0.320 5.538 ( -0.733 0.535 -0.098) 0.913 5.548 ( -0.709 -0.358 -0.171) 0.813 5.614 ( 0.470 1.044 0.195) 1.162 5.639 ( 0.554 -1.388 -0.026) 1.494 6.451 ( -0.586 0.094 0.104) 0.602 6.452 ( -0.629 -0.054 0.512) 0.813 6.495 ( -0.050 0.662 -0.531) 0.850 6.507 ( -0.381 -0.525 -0.743) 0.986 6.532 ( -0.638 0.318 -0.876) 1.130 6.539 ( -0.743 -0.389 -0.804) 1.161 6.803 ( -0.487 0.611 -0.404) 0.880 6.814 ( -0.899 -0.493 -0.753) 1.272 6.908 ( 0.132 0.551 0.076) 0.572 6.921 ( 0.054 -0.793 -0.231) 0.828 7.367 ( 0.993 0.272 -0.099) 1.034 7.373 ( 0.285 -0.340 0.459) 0.638 7.593 ( 1.017 2.291 1.050) 2.718 7.644 ( 1.145 -2.976 1.049) 3.357 7.739 ( 0.682 2.233 1.309) 2.676 7.776 ( -0.525 -1.735 1.626) 2.435 7.890 ( -0.168 0.330 -0.019) 0.371 7.897 ( -0.070 -0.307 -0.262) 0.410 8.099 ( -0.097 0.282 -0.111) 0.318 8.105 ( -0.166 -0.303 -0.243) 0.422 ======================= Grid point 21 (9/50) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( -9.046 0.000 27.529) 28.977 0.582 ( 8.030 0.000 27.778) 28.915 0.824 ( 3.016 0.000 38.698) 38.815 1.186 ( -9.482 0.000 10.396) 14.071 1.241 ( -11.665 0.000 8.294) 14.313 1.462 ( -10.039 0.000 -7.198) 12.353 1.481 ( -9.752 0.000 -6.691) 11.827 1.814 ( 3.905 0.000 1.938) 4.359 1.855 ( 5.666 0.000 9.017) 10.650 1.971 ( -2.570 0.000 1.425) 2.938 1.981 ( -7.135 0.000 3.570) 7.978 2.027 ( 1.341 0.000 2.641) 2.962 2.131 ( -2.617 0.000 -2.159) 3.393 2.204 ( 3.114 0.000 6.285) 7.014 2.257 ( 2.682 0.000 0.155) 2.687 2.278 ( 3.030 0.000 -2.232) 3.764 2.329 ( -5.412 0.000 0.939) 5.493 2.343 ( 5.116 0.000 6.017) 7.898 2.386 ( 0.105 0.000 -2.404) 2.406 2.408 ( 0.207 0.000 -7.145) 7.148 2.416 ( -3.181 0.000 -2.497) 4.044 2.503 ( -0.943 0.000 2.569) 2.737 2.506 ( 1.719 0.000 0.985) 1.982 2.571 ( 1.749 0.000 -1.073) 2.052 2.579 ( -2.544 0.000 0.012) 2.544 2.602 ( 3.285 0.000 0.494) 3.322 2.614 ( 0.698 0.000 -2.119) 2.231 2.651 ( -3.690 0.000 -4.414) 5.754 2.702 ( -0.480 0.000 -1.157) 1.253 2.728 ( -1.266 0.000 6.950) 7.064 2.800 ( 0.381 0.000 0.821) 0.905 2.819 ( 2.355 0.000 -0.568) 2.423 2.857 ( 1.550 0.000 3.556) 3.879 2.872 ( -3.297 0.000 -3.515) 4.819 2.888 ( -0.517 0.000 -2.184) 2.244 2.950 ( -0.496 0.000 -3.492) 3.527 2.967 ( 1.923 0.000 1.911) 2.711 3.020 ( 4.755 0.000 3.765) 6.065 3.046 ( -0.079 0.000 -1.868) 1.869 3.056 ( 0.039 0.000 1.860) 1.861 3.080 ( 5.419 0.000 -2.296) 5.886 3.220 ( 0.309 0.000 3.480) 3.494 3.234 ( 7.107 0.000 -5.245) 8.832 3.296 ( 10.847 0.000 -4.797) 11.861 3.319 ( 7.559 0.000 1.827) 7.777 3.483 ( 4.909 0.000 -0.832) 4.979 3.491 ( 10.087 0.000 -6.391) 11.941 3.527 ( 9.705 0.000 -3.455) 10.301 3.604 ( 6.576 0.000 0.252) 6.580 3.627 ( 3.215 0.000 -0.347) 3.233 3.705 ( 4.861 0.000 -3.207) 5.824 3.784 ( 6.691 0.000 3.602) 7.599 3.841 ( 5.504 0.000 4.199) 6.923 3.846 ( -0.803 0.000 1.781) 1.954 3.863 ( 3.371 0.000 1.869) 3.854 3.886 ( -5.354 0.000 0.423) 5.370 3.902 ( 1.418 0.000 3.862) 4.114 3.916 ( 0.726 0.000 6.776) 6.815 4.095 ( -8.911 0.000 5.797) 10.631 4.111 ( -6.172 0.000 5.693) 8.397 4.161 ( -3.688 0.000 2.052) 4.221 4.240 ( -5.325 0.000 2.643) 5.944 4.243 ( -5.079 0.000 -0.863) 5.152 4.271 ( -3.176 0.000 -3.196) 4.506 4.342 ( -0.269 0.000 -2.687) 2.700 4.388 ( -6.410 0.000 -1.771) 6.651 4.446 ( -5.841 0.000 -3.257) 6.687 4.496 ( 1.914 0.000 1.886) 2.687 4.505 ( 4.110 0.000 -6.098) 7.354 4.534 ( 1.423 0.000 -2.612) 2.975 4.585 ( -0.957 0.000 -0.194) 0.977 4.606 ( 2.857 0.000 -0.589) 2.917 4.640 ( 0.120 0.000 0.200) 0.233 4.791 ( 2.197 0.000 -5.831) 6.231 4.867 ( -1.909 0.000 -5.033) 5.383 4.927 ( -1.534 0.000 -0.770) 1.716 4.945 ( 0.843 0.000 -1.650) 1.853 4.946 ( -1.102 0.000 -0.483) 1.203 4.971 ( -5.387 0.000 -0.795) 5.445 5.051 ( -3.190 0.000 -6.555) 7.290 5.213 ( -2.849 0.000 1.382) 3.167 5.237 ( -3.911 0.000 0.757) 3.984 5.256 ( 0.265 0.000 -1.669) 1.690 5.330 ( -1.075 0.000 -1.062) 1.512 5.571 ( 0.293 0.000 -0.250) 0.385 5.585 ( -0.695 0.000 0.086) 0.700 5.596 ( -0.283 0.000 -1.364) 1.393 5.611 ( -0.209 0.000 -0.056) 0.216 6.448 ( 0.714 0.000 -1.725) 1.867 6.488 ( -0.229 0.000 -0.393) 0.455 6.560 ( -4.340 0.000 -4.128) 5.990 6.585 ( -1.037 0.000 -1.983) 2.238 6.723 ( -2.891 0.000 3.580) 4.602 6.756 ( -7.955 0.000 3.169) 8.563 6.803 ( -0.399 0.000 0.904) 0.988 6.891 ( -1.055 0.000 0.422) 1.136 6.969 ( -1.453 0.000 0.529) 1.546 7.002 ( -2.963 0.000 -1.633) 3.383 7.240 ( 1.012 0.000 -0.453) 1.109 7.288 ( 3.079 0.000 -1.922) 3.629 7.447 ( 1.385 0.000 -0.229) 1.404 7.523 ( 2.678 0.000 -1.172) 2.924 7.533 ( 4.394 0.000 7.382) 8.591 7.738 ( 12.443 0.000 0.142) 12.444 7.933 ( -0.834 0.000 1.021) 1.318 7.977 ( 0.976 0.000 1.748) 2.002 8.100 ( -0.061 0.000 -0.317) 0.323 8.116 ( 0.100 0.000 -1.075) 1.080 ======================= Grid point 22 (10/50) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 8.616 0.000 16.928) 18.995 1.029 ( 16.033 0.000 24.429) 29.220 1.178 ( 2.195 0.000 5.600) 6.015 1.179 ( 1.366 0.000 2.167) 2.562 1.275 ( -4.218 0.000 -3.287) 5.347 1.293 ( -1.790 0.000 -3.370) 3.816 1.401 ( 19.003 0.000 29.260) 34.889 1.855 ( -0.295 0.000 -2.850) 2.865 1.856 ( -2.088 0.000 -3.464) 4.044 1.950 ( 1.116 0.000 3.027) 3.227 2.045 ( 2.840 0.000 5.207) 5.931 2.068 ( -3.006 0.000 1.717) 3.462 2.110 ( -3.688 0.000 -11.767) 12.331 2.159 ( 2.819 0.000 5.030) 5.766 2.209 ( -3.873 0.000 0.816) 3.958 2.242 ( -6.015 0.000 -7.918) 9.944 2.290 ( -2.261 0.000 -4.391) 4.939 2.313 ( -0.238 0.000 1.231) 1.254 2.376 ( 1.920 0.000 2.760) 3.362 2.429 ( -0.898 0.000 -5.204) 5.281 2.464 ( 0.619 0.000 -0.346) 0.709 2.485 ( 0.498 0.000 0.558) 0.747 2.499 ( 2.139 0.000 1.941) 2.888 2.554 ( -5.205 0.000 -1.199) 5.342 2.575 ( 0.224 0.000 -0.451) 0.504 2.589 ( -1.903 0.000 -4.599) 4.977 2.631 ( -3.536 0.000 -2.497) 4.329 2.674 ( 3.209 0.000 -0.795) 3.306 2.684 ( 0.236 0.000 0.932) 0.962 2.761 ( 0.607 0.000 4.064) 4.109 2.794 ( -0.683 0.000 -1.709) 1.840 2.811 ( 2.670 0.000 3.106) 4.095 2.848 ( -3.419 0.000 1.292) 3.656 2.853 ( 0.958 0.000 0.550) 1.105 2.925 ( 0.048 0.000 -2.272) 2.273 2.926 ( 4.699 0.000 7.243) 8.634 3.020 ( 0.646 0.000 3.484) 3.543 3.064 ( 5.726 0.000 6.732) 8.838 3.100 ( 2.258 0.000 3.328) 4.022 3.160 ( 5.096 0.000 2.532) 5.690 3.185 ( -1.598 0.000 -0.194) 1.610 3.235 ( 0.993 0.000 0.569) 1.144 3.300 ( 5.649 0.000 1.238) 5.783 3.396 ( 0.556 0.000 1.889) 1.969 3.478 ( 3.890 0.000 2.949) 4.881 3.518 ( 0.507 0.000 2.518) 2.569 3.526 ( -3.015 0.000 -0.129) 3.018 3.568 ( -4.028 0.000 2.208) 4.594 3.636 ( -0.016 0.000 4.449) 4.449 3.762 ( 4.521 0.000 -3.508) 5.722 3.778 ( -1.648 0.000 -2.219) 2.764 3.841 ( -0.133 0.000 5.150) 5.152 3.874 ( 5.127 0.000 1.258) 5.279 3.965 ( 1.703 0.000 6.761) 6.972 3.972 ( 8.756 0.000 -2.237) 9.037 3.996 ( -0.858 0.000 3.445) 3.550 3.999 ( 9.394 0.000 -1.737) 9.553 4.025 ( 4.890 0.000 7.240) 8.737 4.045 ( 1.366 0.000 6.732) 6.869 4.089 ( -0.305 0.000 -4.908) 4.918 4.098 ( -2.283 0.000 9.154) 9.435 4.142 ( -1.166 0.000 -1.023) 1.552 4.189 ( 1.505 0.000 -7.159) 7.316 4.203 ( 0.390 0.000 -1.039) 1.109 4.246 ( -4.509 0.000 -4.008) 6.033 4.275 ( -6.388 0.000 -7.248) 9.661 4.323 ( -2.226 0.000 0.128) 2.229 4.439 ( -2.645 0.000 -7.686) 8.129 4.514 ( -0.830 0.000 -2.006) 2.171 4.516 ( -1.792 0.000 -4.702) 5.032 4.578 ( 0.861 0.000 0.561) 1.028 4.589 ( -3.446 0.000 -1.846) 3.910 4.632 ( -0.591 0.000 -1.386) 1.507 4.720 ( -3.747 0.000 -6.955) 7.900 4.813 ( -0.818 0.000 -6.513) 6.564 4.874 ( -4.197 0.000 -0.670) 4.250 4.880 ( -0.918 0.000 0.227) 0.946 4.902 ( -3.196 0.000 -6.430) 7.181 4.948 ( -0.148 0.000 -0.627) 0.644 4.952 ( -1.460 0.000 -0.291) 1.489 5.191 ( -0.352 0.000 0.522) 0.629 5.211 ( -0.273 0.000 0.851) 0.894 5.259 ( 1.105 0.000 -1.240) 1.660 5.308 ( -0.566 0.000 -0.450) 0.723 5.573 ( -1.003 0.000 -1.406) 1.727 5.581 ( 0.686 0.000 0.479) 0.837 5.595 ( -1.192 0.000 -0.450) 1.274 5.596 ( 1.510 0.000 -0.177) 1.521 6.450 ( 0.897 0.000 -1.898) 2.099 6.479 ( -0.176 0.000 -0.876) 0.894 6.479 ( -1.658 0.000 -1.811) 2.456 6.537 ( -1.514 0.000 -2.558) 2.973 6.659 ( -5.339 0.000 3.400) 6.329 6.667 ( -5.180 0.000 2.918) 5.945 6.811 ( -0.029 0.000 1.017) 1.017 6.875 ( -1.039 0.000 -0.335) 1.091 6.938 ( -2.672 0.000 0.601) 2.738 6.945 ( -1.253 0.000 0.573) 1.378 7.275 ( 2.584 0.000 -0.466) 2.625 7.329 ( 2.535 0.000 -1.475) 2.933 7.491 ( 2.815 0.000 0.231) 2.825 7.582 ( 3.915 0.000 -1.171) 4.086 7.651 ( 2.491 0.000 5.483) 6.023 7.823 ( 1.358 0.000 -2.175) 2.564 7.920 ( -1.098 0.000 0.894) 1.416 7.973 ( -2.536 0.000 1.846) 3.137 8.096 ( -0.058 0.000 -0.561) 0.564 8.109 ( -0.017 0.000 -0.838) 0.839 ======================= Grid point 23 (11/50) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 19.851 0.000 4.162) 20.283 1.245 ( 3.689 0.000 1.333) 3.922 1.319 ( 13.084 0.000 -0.965) 13.119 1.339 ( 11.024 0.000 0.216) 11.026 1.355 ( 10.050 0.000 -2.266) 10.303 1.518 ( 16.224 0.000 20.832) 26.404 1.788 ( -3.671 0.000 3.787) 5.274 1.807 ( -0.250 0.000 -7.832) 7.836 1.850 ( 4.895 0.000 -5.351) 7.252 1.920 ( -4.263 0.000 -9.392) 10.314 1.999 ( 4.775 0.000 3.502) 5.922 2.030 ( -2.795 0.000 -2.761) 3.928 2.097 ( -7.875 0.000 -7.971) 11.205 2.139 ( -1.946 0.000 -6.568) 6.850 2.150 ( 4.041 0.000 4.180) 5.814 2.155 ( 0.730 0.000 5.187) 5.239 2.232 ( 2.839 0.000 2.702) 3.919 2.312 ( -4.541 0.000 4.025) 6.068 2.379 ( 0.955 0.000 -4.441) 4.542 2.386 ( -4.667 0.000 -3.936) 6.105 2.431 ( 0.564 0.000 -3.843) 3.884 2.469 ( 0.421 0.000 -5.986) 6.000 2.475 ( -0.847 0.000 -4.272) 4.355 2.511 ( -1.123 0.000 -0.121) 1.129 2.540 ( -3.365 0.000 3.369) 4.762 2.577 ( -0.456 0.000 6.528) 6.544 2.588 ( -0.436 0.000 -4.428) 4.449 2.644 ( -0.603 0.000 -1.786) 1.885 2.697 ( -1.711 0.000 1.860) 2.527 2.745 ( -1.772 0.000 -1.887) 2.589 2.804 ( 4.744 0.000 2.856) 5.537 2.807 ( 0.274 0.000 0.260) 0.378 2.877 ( 0.961 0.000 -1.219) 1.552 2.905 ( -1.278 0.000 2.028) 2.397 2.934 ( 0.077 0.000 6.830) 6.831 3.022 ( -1.486 0.000 1.397) 2.039 3.089 ( -6.118 0.000 3.659) 7.128 3.119 ( -2.008 0.000 -0.866) 2.187 3.139 ( 3.872 0.000 3.345) 5.117 3.192 ( -1.312 0.000 4.174) 4.376 3.240 ( -3.376 0.000 9.674) 10.247 3.313 ( 4.713 0.000 3.344) 5.779 3.326 ( -4.901 0.000 2.941) 5.716 3.408 ( 1.250 0.000 4.553) 4.721 3.446 ( -3.229 0.000 5.076) 6.016 3.490 ( -2.761 0.000 10.657) 11.009 3.560 ( -0.292 0.000 -0.739) 0.795 3.561 ( -1.846 0.000 -3.270) 3.755 3.632 ( 1.080 0.000 2.308) 2.548 3.734 ( -1.919 0.000 1.184) 2.255 3.737 ( -2.291 0.000 -3.240) 3.968 3.869 ( -7.144 0.000 6.281) 9.512 3.872 ( -0.021 0.000 2.079) 2.080 3.895 ( -8.114 0.000 3.631) 8.889 3.975 ( -7.033 0.000 -0.533) 7.053 3.981 ( -2.397 0.000 -5.837) 6.310 4.020 ( -2.908 0.000 -1.817) 3.429 4.080 ( 3.390 0.000 0.468) 3.423 4.104 ( 1.176 0.000 -4.597) 4.745 4.129 ( 0.707 0.000 3.636) 3.704 4.181 ( 6.650 0.000 4.641) 8.109 4.189 ( -1.006 0.000 -0.171) 1.021 4.203 ( -1.348 0.000 -3.226) 3.496 4.225 ( -2.924 0.000 -0.790) 3.029 4.271 ( 10.395 0.000 -7.892) 13.051 4.288 ( 11.940 0.000 -5.224) 13.033 4.344 ( 12.136 0.000 -1.936) 12.290 4.361 ( 1.689 0.000 -6.028) 6.261 4.449 ( -0.308 0.000 1.169) 1.209 4.497 ( 1.131 0.000 0.091) 1.135 4.532 ( -1.415 0.000 -1.860) 2.337 4.587 ( -0.580 0.000 -0.698) 0.908 4.620 ( 1.699 0.000 -0.646) 1.817 4.637 ( -0.957 0.000 -1.220) 1.551 4.716 ( -2.230 0.000 -5.808) 6.221 4.786 ( -1.992 0.000 -1.667) 2.597 4.846 ( -2.792 0.000 -0.173) 2.798 4.858 ( -2.026 0.000 -0.114) 2.029 4.913 ( -3.126 0.000 0.499) 3.165 4.923 ( -2.385 0.000 0.246) 2.398 5.201 ( 1.271 0.000 -0.568) 1.392 5.225 ( 1.432 0.000 -0.422) 1.492 5.270 ( 0.791 0.000 -1.061) 1.323 5.300 ( -0.183 0.000 0.044) 0.189 5.541 ( -1.113 0.000 -1.303) 1.714 5.567 ( -1.258 0.000 -0.375) 1.312 5.600 ( 0.716 0.000 0.337) 0.791 5.622 ( 1.537 0.000 -0.893) 1.778 6.443 ( -0.155 0.000 -1.711) 1.718 6.460 ( 0.154 0.000 -0.641) 0.659 6.476 ( 0.513 0.000 -0.323) 0.606 6.506 ( -0.192 0.000 -1.105) 1.121 6.595 ( -3.834 0.000 3.092) 4.925 6.602 ( -3.884 0.000 3.434) 5.184 6.810 ( -0.680 0.000 0.782) 1.036 6.841 ( -1.811 0.000 0.010) 1.811 6.921 ( -0.722 0.000 1.769) 1.910 6.935 ( -0.462 0.000 0.989) 1.091 7.317 ( 2.311 0.000 -1.191) 2.599 7.360 ( 1.722 0.000 -1.149) 2.071 7.539 ( 2.165 0.000 -0.947) 2.364 7.637 ( 3.181 0.000 -2.541) 4.072 7.704 ( 0.187 0.000 1.990) 1.998 7.812 ( -0.615 0.000 -2.110) 2.198 7.908 ( -0.919 0.000 0.935) 1.311 7.937 ( -2.408 0.000 2.226) 3.279 8.091 ( 0.093 0.000 -0.708) 0.714 8.104 ( -0.031 0.000 -0.415) 0.416 ======================= Grid point 24 (12/50) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 7.846 0.000 5.758) 9.732 1.445 ( 17.655 0.000 0.072) 17.655 1.537 ( 5.599 0.000 -0.849) 5.663 1.556 ( 9.018 0.000 -3.246) 9.584 1.625 ( 18.475 0.000 -2.018) 18.585 1.638 ( -8.184 0.000 -4.808) 9.491 1.706 ( 1.536 0.000 1.579) 2.203 1.771 ( -9.189 0.000 -7.675) 11.973 1.850 ( -1.494 0.000 -9.746) 9.860 1.919 ( 6.760 0.000 -7.972) 10.452 1.953 ( 7.032 0.000 -11.090) 13.131 1.970 ( 11.940 0.000 14.084) 18.464 2.016 ( -13.328 0.000 -2.409) 13.544 2.055 ( -1.225 0.000 -4.446) 4.612 2.094 ( 2.874 0.000 -6.736) 7.323 2.231 ( 1.442 0.000 5.280) 5.473 2.268 ( -1.573 0.000 -2.181) 2.689 2.296 ( -0.780 0.000 -0.361) 0.860 2.337 ( -2.851 0.000 -14.061) 14.348 2.351 ( 0.126 0.000 4.645) 4.647 2.419 ( 0.976 0.000 -9.066) 9.118 2.456 ( 3.584 0.000 -2.139) 4.174 2.463 ( 0.832 0.000 -3.226) 3.332 2.529 ( 3.836 0.000 3.540) 5.219 2.534 ( -2.432 0.000 -0.644) 2.516 2.568 ( -3.531 0.000 3.229) 4.784 2.605 ( -2.187 0.000 4.900) 5.366 2.612 ( -2.378 0.000 -4.040) 4.688 2.659 ( 3.441 0.000 3.117) 4.643 2.734 ( 3.234 0.000 0.583) 3.286 2.799 ( -6.301 0.000 3.851) 7.384 2.871 ( 0.261 0.000 -3.652) 3.661 2.885 ( -2.724 0.000 4.586) 5.334 2.904 ( -1.604 0.000 3.972) 4.284 2.948 ( -3.674 0.000 3.466) 5.051 2.963 ( -6.700 0.000 4.761) 8.219 3.005 ( -0.564 0.000 1.245) 1.366 3.064 ( -13.213 0.000 8.609) 15.770 3.077 ( -1.309 0.000 4.827) 5.001 3.093 ( -3.970 0.000 -0.704) 4.032 3.199 ( -7.590 0.000 -0.193) 7.593 3.212 ( -4.001 0.000 -0.481) 4.030 3.363 ( -6.711 0.000 -3.454) 7.548 3.384 ( -8.241 0.000 -1.212) 8.329 3.411 ( 1.672 0.000 -5.754) 5.992 3.508 ( 1.194 0.000 3.557) 3.752 3.581 ( -2.017 0.000 4.002) 4.481 3.592 ( -1.301 0.000 -2.951) 3.225 3.623 ( -3.798 0.000 9.216) 9.968 3.623 ( -5.965 0.000 -7.537) 9.611 3.704 ( 1.806 0.000 4.210) 4.581 3.743 ( -1.174 0.000 -6.551) 6.656 3.839 ( -4.573 0.000 -2.060) 5.016 3.849 ( -2.492 0.000 3.026) 3.920 3.929 ( 3.606 0.000 2.078) 4.162 3.957 ( -0.258 0.000 2.399) 2.412 4.031 ( -0.386 0.000 2.309) 2.341 4.040 ( 0.451 0.000 -2.992) 3.026 4.090 ( -1.062 0.000 -1.592) 1.914 4.104 ( -0.110 0.000 0.074) 0.133 4.136 ( -1.676 0.000 0.120) 1.681 4.186 ( 2.379 0.000 3.847) 4.523 4.203 ( -3.176 0.000 0.953) 3.316 4.262 ( -1.127 0.000 0.810) 1.388 4.361 ( 0.899 0.000 -4.106) 4.203 4.416 ( 10.135 0.000 -7.214) 12.440 4.464 ( 6.718 0.000 -3.404) 7.531 4.471 ( 3.494 0.000 -3.435) 4.900 4.523 ( 6.877 0.000 -0.756) 6.918 4.575 ( 1.502 0.000 1.508) 2.129 4.579 ( 9.027 0.000 -0.971) 9.079 4.632 ( 7.094 0.000 1.502) 7.251 4.640 ( 1.483 0.000 1.846) 2.368 4.681 ( 4.136 0.000 1.679) 4.463 4.691 ( 1.549 0.000 0.691) 1.696 4.759 ( -3.027 0.000 1.483) 3.371 4.800 ( -4.361 0.000 1.550) 4.628 4.801 ( -1.939 0.000 2.989) 3.563 4.854 ( -2.520 0.000 2.661) 3.664 4.862 ( -4.697 0.000 1.389) 4.898 5.225 ( 1.522 0.000 -0.573) 1.626 5.252 ( 1.568 0.000 -0.238) 1.586 5.272 ( 0.408 0.000 -1.244) 1.309 5.300 ( 0.119 0.000 0.001) 0.119 5.520 ( -0.077 0.000 -0.928) 0.931 5.550 ( -0.250 0.000 0.096) 0.267 5.606 ( -0.029 0.000 -0.467) 0.468 5.640 ( 0.981 0.000 -1.058) 1.443 6.431 ( -0.071 0.000 -0.567) 0.571 6.456 ( -0.389 0.000 0.209) 0.441 6.491 ( 0.740 0.000 0.718) 1.031 6.512 ( 0.789 0.000 0.941) 1.228 6.569 ( -1.372 0.000 3.363) 3.633 6.579 ( -1.500 0.000 3.886) 4.165 6.804 ( -0.423 0.000 0.793) 0.899 6.824 ( -0.239 0.000 1.231) 1.254 6.920 ( -0.703 0.000 1.625) 1.771 6.942 ( 0.111 0.000 1.708) 1.712 7.342 ( 1.467 0.000 -1.683) 2.233 7.372 ( 0.366 0.000 -1.295) 1.346 7.548 ( 0.265 0.000 -2.958) 2.970 7.659 ( 1.829 0.000 -4.427) 4.790 7.692 ( -1.607 0.000 -1.462) 2.172 7.767 ( -1.778 0.000 -3.479) 3.907 7.901 ( -0.568 0.000 1.458) 1.565 7.924 ( -0.811 0.000 2.143) 2.291 8.090 ( 0.291 0.000 -0.482) 0.563 8.104 ( 0.264 0.000 -0.156) 0.307 ======================= Grid point 25 (13/50) ======================= q-point: (-0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -18.801 0.000 -10.893) 21.728 1.427 ( -15.192 0.000 -6.973) 16.716 1.483 ( -7.600 0.000 6.058) 9.719 1.490 ( -5.590 0.000 4.229) 7.009 1.689 ( 7.769 0.000 -0.390) 7.779 1.714 ( 2.988 0.000 -2.412) 3.840 1.816 ( 7.941 0.000 -6.552) 10.295 1.831 ( 1.080 0.000 6.499) 6.588 1.938 ( 7.106 0.000 -5.462) 8.963 1.959 ( 8.160 0.000 0.787) 8.198 1.967 ( 5.168 0.000 -4.113) 6.605 1.996 ( -1.278 0.000 -2.484) 2.794 2.046 ( 6.855 0.000 -3.755) 7.816 2.088 ( -8.152 0.000 -2.048) 8.405 2.122 ( -5.688 0.000 0.142) 5.690 2.191 ( 0.808 0.000 -5.422) 5.482 2.228 ( 8.713 0.000 -6.443) 10.836 2.306 ( -4.595 0.000 -0.438) 4.616 2.327 ( 2.657 0.000 2.075) 3.372 2.364 ( 5.482 0.000 -6.967) 8.865 2.365 ( 4.116 0.000 -5.063) 6.525 2.438 ( -0.246 0.000 8.180) 8.184 2.485 ( 0.863 0.000 -0.365) 0.937 2.492 ( 0.380 0.000 1.965) 2.001 2.560 ( 0.250 0.000 0.286) 0.380 2.596 ( 9.806 0.000 -9.481) 13.640 2.620 ( -0.270 0.000 3.785) 3.795 2.647 ( 0.937 0.000 2.382) 2.560 2.660 ( 3.760 0.000 1.206) 3.949 2.710 ( 0.849 0.000 -2.891) 3.013 2.775 ( -6.292 0.000 1.700) 6.517 2.795 ( -4.084 0.000 -4.588) 6.143 2.839 ( -0.369 0.000 3.278) 3.298 2.898 ( -3.102 0.000 0.021) 3.102 2.904 ( -2.694 0.000 1.386) 3.030 2.930 ( -4.887 0.000 2.899) 5.682 2.946 ( -0.223 0.000 2.151) 2.163 2.957 ( -7.655 0.000 1.583) 7.817 3.000 ( -9.839 0.000 0.311) 9.844 3.022 ( 0.704 0.000 -3.199) 3.275 3.094 ( -10.832 0.000 -2.724) 11.169 3.152 ( -4.056 0.000 -1.266) 4.249 3.178 ( -3.853 0.000 2.798) 4.762 3.230 ( -3.361 0.000 1.619) 3.731 3.365 ( -1.819 0.000 -7.351) 7.573 3.410 ( -5.087 0.000 -10.464) 11.634 3.442 ( -5.640 0.000 -0.394) 5.654 3.561 ( -0.206 0.000 -2.550) 2.558 3.571 ( -5.924 0.000 -1.489) 6.108 3.669 ( 3.603 0.000 5.831) 6.854 3.677 ( -3.022 0.000 -3.653) 4.741 3.748 ( -0.471 0.000 -4.066) 4.093 3.770 ( 4.064 0.000 0.066) 4.065 3.793 ( -1.886 0.000 -4.380) 4.769 3.932 ( -2.241 0.000 -0.472) 2.290 3.992 ( -1.820 0.000 -5.098) 5.413 4.033 ( -0.182 0.000 -0.577) 0.605 4.079 ( -2.626 0.000 1.515) 3.032 4.100 ( -1.589 0.000 0.935) 1.843 4.131 ( 0.903 0.000 2.496) 2.654 4.131 ( 6.154 0.000 7.848) 9.973 4.216 ( 3.728 0.000 3.417) 5.057 4.247 ( 2.522 0.000 2.480) 3.537 4.304 ( 3.402 0.000 2.320) 4.118 4.348 ( 2.086 0.000 -0.523) 2.150 4.490 ( 0.142 0.000 -0.855) 0.866 4.506 ( 1.036 0.000 -0.465) 1.135 4.514 ( 4.029 0.000 -3.876) 5.591 4.599 ( -0.682 0.000 1.957) 2.072 4.612 ( -4.930 0.000 1.358) 5.114 4.661 ( 0.309 0.000 -0.656) 0.726 4.680 ( 3.107 0.000 -0.496) 3.146 4.707 ( 1.151 0.000 -0.244) 1.176 4.737 ( -0.521 0.000 1.003) 1.130 4.742 ( -3.762 0.000 2.769) 4.671 4.767 ( 6.607 0.000 2.679) 7.130 4.787 ( -2.058 0.000 1.395) 2.486 4.836 ( 6.651 0.000 3.865) 7.692 4.845 ( 6.585 0.000 4.647) 8.059 4.911 ( 3.487 0.000 4.159) 5.427 5.244 ( 0.624 0.000 0.022) 0.624 5.272 ( 0.712 0.000 -1.166) 1.366 5.274 ( 0.543 0.000 0.455) 0.708 5.309 ( 0.816 0.000 0.689) 1.068 5.530 ( 1.525 0.000 -0.041) 1.525 5.560 ( 1.028 0.000 0.483) 1.136 5.599 ( -0.285 0.000 -0.135) 0.315 5.637 ( -0.189 0.000 -1.760) 1.770 6.435 ( 0.608 0.000 0.308) 0.681 6.451 ( -0.367 0.000 0.608) 0.710 6.506 ( -0.071 0.000 0.983) 0.985 6.539 ( 0.801 0.000 1.375) 1.592 6.594 ( 1.031 0.000 4.245) 4.369 6.601 ( 0.416 0.000 4.357) 4.377 6.807 ( 0.193 0.000 0.496) 0.532 6.854 ( 2.031 0.000 2.065) 2.897 6.924 ( -0.552 0.000 2.713) 2.769 6.965 ( 0.349 0.000 3.337) 3.356 7.347 ( 0.197 0.000 -1.865) 1.876 7.355 ( -0.719 0.000 -1.120) 1.331 7.506 ( -1.469 0.000 -4.680) 4.905 7.626 ( -2.966 0.000 -3.982) 4.965 7.636 ( -0.063 0.000 -6.382) 6.383 7.699 ( -1.578 0.000 -6.194) 6.392 7.907 ( -0.270 0.000 1.934) 1.953 7.932 ( -0.270 0.000 2.428) 2.443 8.094 ( 0.375 0.000 -0.136) 0.399 8.110 ( 0.508 0.000 -0.154) 0.531 ======================= Grid point 26 (14/50) ======================= q-point: (-0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -21.577 0.000 -5.250) 22.207 0.905 ( -25.095 0.000 -13.652) 28.568 1.493 ( -1.226 0.000 11.616) 11.681 1.493 ( -3.624 0.000 11.496) 12.054 1.556 ( -29.271 0.000 14.133) 32.504 1.633 ( -9.638 0.000 6.367) 11.551 1.790 ( -3.361 0.000 -11.795) 12.264 1.838 ( -16.285 0.000 6.596) 17.570 1.858 ( -6.829 0.000 -2.639) 7.321 1.903 ( 3.784 0.000 -5.450) 6.635 1.952 ( 7.850 0.000 6.584) 10.245 2.001 ( 7.007 0.000 -0.948) 7.071 2.132 ( -2.147 0.000 -1.949) 2.900 2.137 ( 3.302 0.000 -0.655) 3.366 2.190 ( 5.561 0.000 0.892) 5.632 2.217 ( -0.947 0.000 -2.163) 2.361 2.263 ( 11.226 0.000 2.555) 11.513 2.353 ( 2.392 0.000 -3.241) 4.028 2.374 ( 7.280 0.000 -2.214) 7.609 2.401 ( -5.534 0.000 5.207) 7.598 2.405 ( -6.142 0.000 0.852) 6.200 2.517 ( 1.137 0.000 -0.240) 1.162 2.518 ( -3.564 0.000 -4.582) 5.805 2.569 ( 9.094 0.000 -6.260) 11.040 2.596 ( 2.385 0.000 0.417) 2.421 2.630 ( 5.482 0.000 -4.015) 6.795 2.669 ( -0.894 0.000 0.337) 0.955 2.680 ( -7.108 0.000 0.983) 7.175 2.708 ( 4.859 0.000 -5.478) 7.322 2.715 ( 6.371 0.000 -7.036) 9.492 2.757 ( 8.208 0.000 -2.971) 8.729 2.764 ( 1.902 0.000 2.872) 3.445 2.771 ( 3.878 0.000 -2.136) 4.427 2.817 ( 7.049 0.000 -8.719) 11.212 2.841 ( -4.077 0.000 -1.377) 4.303 2.894 ( -4.201 0.000 -0.060) 4.201 2.921 ( -1.734 0.000 3.266) 3.698 2.966 ( 0.104 0.000 1.197) 1.202 2.978 ( 4.951 0.000 -0.189) 4.955 3.005 ( 2.888 0.000 3.953) 4.896 3.032 ( -2.631 0.000 0.565) 2.691 3.051 ( -3.281 0.000 -1.893) 3.788 3.083 ( 1.251 0.000 3.520) 3.736 3.195 ( 1.698 0.000 -8.868) 9.029 3.230 ( -5.139 0.000 -6.505) 8.290 3.285 ( -1.228 0.000 -8.299) 8.389 3.321 ( -6.284 0.000 -3.335) 7.114 3.513 ( 1.943 0.000 -4.431) 4.838 3.540 ( -1.469 0.000 0.286) 1.497 3.570 ( -3.599 0.000 -5.677) 6.722 3.679 ( -1.143 0.000 2.660) 2.895 3.722 ( -0.538 0.000 -3.772) 3.810 3.817 ( 2.938 0.000 -1.505) 3.301 3.857 ( -2.240 0.000 -2.539) 3.386 3.866 ( -0.799 0.000 -1.531) 1.727 3.896 ( -1.828 0.000 -0.690) 1.954 3.982 ( -5.844 0.000 -0.174) 5.847 4.000 ( 1.390 0.000 1.349) 1.937 4.173 ( 4.652 0.000 2.178) 5.137 4.184 ( 0.114 0.000 4.325) 4.326 4.247 ( -1.670 0.000 -0.722) 1.820 4.267 ( 0.754 0.000 4.248) 4.315 4.296 ( 2.220 0.000 0.587) 2.296 4.378 ( -0.650 0.000 1.547) 1.678 4.427 ( 5.029 0.000 2.288) 5.525 4.455 ( -2.333 0.000 2.236) 3.232 4.507 ( -6.361 0.000 2.898) 6.990 4.531 ( 1.360 0.000 1.138) 1.773 4.533 ( 0.251 0.000 -2.607) 2.619 4.570 ( -4.513 0.000 1.663) 4.809 4.600 ( -4.769 0.000 3.101) 5.688 4.621 ( -5.593 0.000 3.594) 6.648 4.694 ( -2.064 0.000 1.231) 2.403 4.740 ( 1.554 0.000 -0.209) 1.568 4.825 ( 5.050 0.000 -3.222) 5.990 4.834 ( 6.643 0.000 -2.446) 7.079 4.904 ( 4.381 0.000 1.442) 4.612 4.951 ( 2.847 0.000 2.786) 3.984 4.972 ( 4.232 0.000 1.540) 4.503 5.034 ( 5.988 0.000 2.685) 6.562 5.248 ( -0.482 0.000 1.082) 1.184 5.278 ( 0.542 0.000 -1.131) 1.254 5.287 ( 0.748 0.000 0.930) 1.194 5.339 ( 1.124 0.000 1.435) 1.823 5.568 ( 1.915 0.000 0.667) 2.028 5.587 ( 1.318 0.000 0.051) 1.319 5.595 ( -0.419 0.000 0.879) 0.974 5.610 ( -0.937 0.000 -2.121) 2.319 6.446 ( 0.252 0.000 -0.376) 0.453 6.475 ( 1.771 0.000 4.397) 4.741 6.502 ( -0.614 0.000 0.297) 0.682 6.562 ( 1.079 0.000 0.466) 1.175 6.650 ( 1.051 0.000 4.244) 4.372 6.669 ( 2.993 0.000 5.257) 6.049 6.817 ( 0.132 0.000 0.968) 0.977 6.910 ( 0.404 0.000 2.615) 2.646 6.949 ( 1.450 0.000 3.119) 3.440 7.003 ( 0.734 0.000 4.053) 4.119 7.306 ( -2.203 0.000 -1.704) 2.785 7.356 ( 0.706 0.000 0.300) 0.767 7.437 ( -1.693 0.000 -4.247) 4.572 7.531 ( -3.341 0.000 -4.381) 5.510 7.562 ( -1.653 0.000 -9.749) 9.888 7.606 ( -2.562 0.000 -8.538) 8.914 7.918 ( -0.244 0.000 2.099) 2.113 7.946 ( -0.364 0.000 2.596) 2.621 8.100 ( 0.254 0.000 -0.028) 0.256 8.118 ( 0.466 0.000 -0.422) 0.629 ======================= Grid point 27 (15/50) ======================= q-point: (-0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( -15.033 0.000 10.356) 18.255 0.484 ( -16.198 0.000 12.279) 20.326 1.055 ( -35.642 0.000 25.738) 43.964 1.356 ( -15.933 0.000 11.388) 19.585 1.455 ( -16.605 0.000 12.138) 20.568 1.641 ( -2.179 0.000 5.484) 5.901 1.647 ( -2.384 0.000 -1.055) 2.607 1.729 ( 1.001 0.000 -1.499) 1.802 1.756 ( 0.478 0.000 -5.352) 5.373 1.985 ( 4.029 0.000 -0.316) 4.041 2.013 ( -5.408 0.000 7.266) 9.058 2.071 ( -2.339 0.000 5.103) 5.614 2.124 ( -7.552 0.000 2.796) 8.053 2.154 ( 3.452 0.000 2.188) 4.087 2.194 ( -0.596 0.000 6.469) 6.496 2.246 ( 3.210 0.000 -1.140) 3.406 2.271 ( 0.561 0.000 2.045) 2.120 2.310 ( 2.419 0.000 -6.253) 6.705 2.356 ( 2.571 0.000 -5.047) 5.664 2.439 ( 3.458 0.000 0.728) 3.534 2.479 ( 1.563 0.000 -4.863) 5.108 2.513 ( -1.362 0.000 2.477) 2.827 2.538 ( -5.020 0.000 2.616) 5.661 2.551 ( -3.603 0.000 2.106) 4.173 2.582 ( -1.341 0.000 0.232) 1.361 2.614 ( 1.544 0.000 -9.272) 9.400 2.639 ( 4.586 0.000 -0.674) 4.635 2.651 ( 4.581 0.000 2.536) 5.236 2.719 ( -4.456 0.000 -3.840) 5.882 2.726 ( 0.184 0.000 -1.367) 1.379 2.785 ( -0.390 0.000 7.833) 7.843 2.804 ( -2.313 0.000 -0.311) 2.334 2.842 ( -3.889 0.000 -2.265) 4.500 2.899 ( 3.230 0.000 4.290) 5.370 2.904 ( 7.426 0.000 -6.224) 9.690 2.908 ( -0.273 0.000 -5.521) 5.528 2.974 ( 1.368 0.000 -1.373) 1.938 2.980 ( 1.703 0.000 -0.439) 1.759 3.013 ( 9.292 0.000 -2.406) 9.598 3.031 ( 0.881 0.000 -4.773) 4.854 3.057 ( 14.303 0.000 -12.598) 19.060 3.113 ( 0.498 0.000 0.434) 0.661 3.144 ( -0.605 0.000 -2.112) 2.197 3.205 ( 1.394 0.000 0.125) 1.399 3.229 ( 8.603 0.000 -11.687) 14.512 3.243 ( 12.873 0.000 -5.408) 13.963 3.314 ( 9.648 0.000 0.367) 9.655 3.464 ( -1.288 0.000 -4.287) 4.477 3.546 ( 4.657 0.000 -3.690) 5.941 3.559 ( 1.058 0.000 1.772) 2.064 3.695 ( 0.130 0.000 -0.551) 0.566 3.702 ( 1.296 0.000 3.259) 3.507 3.794 ( -1.940 0.000 0.332) 1.968 3.801 ( 0.875 0.000 -1.030) 1.351 3.841 ( -0.731 0.000 -0.376) 0.822 3.885 ( -3.543 0.000 0.006) 3.543 3.898 ( -0.550 0.000 1.297) 1.408 4.029 ( -3.860 0.000 0.924) 3.969 4.192 ( -3.055 0.000 5.152) 5.989 4.197 ( -3.041 0.000 -0.255) 3.052 4.208 ( -5.511 0.000 2.848) 6.204 4.269 ( 0.743 0.000 3.628) 3.703 4.306 ( 0.118 0.000 -1.166) 1.172 4.330 ( -6.758 0.000 5.994) 9.033 4.427 ( -6.170 0.000 -1.795) 6.425 4.436 ( -2.413 0.000 3.338) 4.118 4.466 ( 0.246 0.000 0.664) 0.709 4.480 ( -1.243 0.000 -0.405) 1.307 4.527 ( -2.142 0.000 1.554) 2.646 4.547 ( 0.420 0.000 -2.218) 2.258 4.582 ( -0.039 0.000 1.027) 1.028 4.588 ( -0.605 0.000 2.552) 2.623 4.652 ( -1.937 0.000 -0.504) 2.002 4.770 ( 2.815 0.000 -3.046) 4.147 4.893 ( 4.152 0.000 -2.645) 4.923 4.907 ( 2.860 0.000 -3.737) 4.706 4.938 ( 0.496 0.000 -1.861) 1.926 4.987 ( -0.821 0.000 1.480) 1.693 5.029 ( 1.391 0.000 -2.303) 2.691 5.107 ( 0.905 0.000 -2.280) 2.453 5.245 ( -1.219 0.000 1.502) 1.934 5.271 ( -0.228 0.000 -1.504) 1.521 5.312 ( 0.700 0.000 -3.175) 3.251 5.353 ( -0.516 0.000 0.045) 0.517 5.579 ( -0.699 0.000 -0.854) 1.104 5.601 ( 0.812 0.000 0.305) 0.867 5.601 ( 0.031 0.000 0.105) 0.110 5.603 ( 0.790 0.000 -0.703) 1.058 6.447 ( 0.448 0.000 -0.969) 1.068 6.494 ( -0.316 0.000 -0.024) 0.317 6.588 ( 1.280 0.000 -0.182) 1.292 6.589 ( 4.025 0.000 4.372) 5.942 6.698 ( 0.750 0.000 5.081) 5.136 6.790 ( 5.382 0.000 5.870) 7.963 6.816 ( -1.099 0.000 0.844) 1.386 6.909 ( -1.433 0.000 1.495) 2.070 6.981 ( -0.411 0.000 1.577) 1.630 7.042 ( 0.179 0.000 0.393) 0.432 7.252 ( -1.753 0.000 -1.458) 2.280 7.357 ( -6.678 0.000 -11.266) 13.097 7.421 ( 1.771 0.000 2.715) 3.242 7.434 ( 4.532 0.000 5.716) 7.295 7.456 ( -1.388 0.000 -2.433) 2.801 7.522 ( -0.892 0.000 -3.257) 3.377 7.929 ( -0.123 0.000 1.782) 1.786 7.956 ( -0.606 0.000 2.601) 2.671 8.102 ( 0.054 0.000 -0.149) 0.159 8.120 ( 0.262 0.000 -0.838) 0.878 ======================= Grid point 28 (16/50) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -1.533 13.610 14.393) 19.868 0.712 ( -16.517 11.025 23.351) 30.654 0.930 ( -10.778 -17.342 10.214) 22.831 0.996 ( -11.371 -23.296 2.616) 26.054 1.216 ( 10.378 29.074 29.594) 42.765 1.479 ( -8.882 13.846 6.379) 17.644 1.716 ( -5.782 -11.875 4.389) 13.918 1.751 ( 7.499 -25.641 19.689) 33.187 1.866 ( 1.313 4.202 1.382) 4.614 1.894 ( -3.202 14.098 -4.753) 15.219 1.956 ( 2.153 -4.955 2.894) 6.129 1.980 ( 3.116 6.294 5.842) 9.135 2.137 ( -1.123 -0.059 -1.881) 2.191 2.183 ( -4.787 4.593 1.196) 6.741 2.238 ( 1.939 -0.468 -8.590) 8.819 2.258 ( -0.265 -2.317 -1.538) 2.793 2.284 ( 0.383 -8.941 0.722) 8.978 2.295 ( -2.852 2.634 -0.102) 3.883 2.336 ( -3.470 -9.094 -0.052) 9.734 2.373 ( -3.299 -1.466 -1.748) 4.011 2.453 ( 1.634 1.720 -0.950) 2.556 2.515 ( 0.476 -3.108 -0.104) 3.146 2.536 ( 0.036 -0.184 -4.920) 4.923 2.547 ( 1.077 -1.140 -3.928) 4.229 2.588 ( -0.701 4.438 -1.927) 4.889 2.611 ( -1.845 1.145 -2.313) 3.172 2.640 ( 0.995 -1.414 -0.083) 1.731 2.660 ( -4.876 -0.454 -4.339) 6.543 2.723 ( 2.310 3.652 3.611) 5.632 2.739 ( -0.204 3.003 -3.204) 4.396 2.776 ( 1.175 -0.259 3.706) 3.897 2.818 ( -2.321 -3.460 -1.138) 4.319 2.842 ( -0.443 0.085 2.979) 3.013 2.867 ( -0.257 -2.847 -1.144) 3.079 2.915 ( 0.619 0.909 -0.512) 1.213 2.953 ( 3.449 1.464 4.173) 5.608 2.999 ( 2.745 0.689 0.889) 2.966 3.025 ( 0.396 2.101 0.195) 2.147 3.060 ( 0.647 4.996 -0.036) 5.038 3.138 ( 5.042 1.405 -0.045) 5.234 3.156 ( 2.561 8.483 2.832) 9.303 3.213 ( 3.271 1.248 1.558) 3.832 3.243 ( 6.862 1.457 -1.106) 7.102 3.288 ( 9.447 -0.987 -1.828) 9.672 3.371 ( 5.631 1.182 -1.205) 5.878 3.386 ( 6.277 -1.686 -1.245) 6.617 3.487 ( 8.738 -4.059 -1.344) 9.728 3.507 ( 2.742 -7.373 -0.620) 7.891 3.613 ( 11.154 -1.422 -0.814) 11.274 3.622 ( 8.587 1.916 0.507) 8.813 3.695 ( 4.466 2.086 -1.312) 5.101 3.708 ( 5.275 -1.820 -2.385) 6.069 3.742 ( 7.685 -3.407 0.871) 8.451 3.799 ( 3.381 -4.772 -0.152) 5.851 3.867 ( -2.549 1.195 2.264) 3.613 3.909 ( -4.160 -1.444 1.263) 4.581 3.981 ( -3.384 3.990 5.790) 7.804 3.990 ( -1.617 2.629 5.034) 5.904 4.102 ( -7.004 0.536 5.515) 8.931 4.116 ( -4.684 -1.063 6.048) 7.723 4.184 ( 0.869 4.183 -0.292) 4.282 4.230 ( -3.301 -1.262 -2.265) 4.198 4.260 ( -5.590 2.740 0.977) 6.302 4.269 ( -4.456 0.443 -5.353) 6.979 4.354 ( -2.130 -1.851 -0.142) 2.825 4.376 ( -1.402 -3.665 0.993) 4.047 4.472 ( -0.946 3.370 -3.720) 5.108 4.486 ( -2.678 1.420 -1.474) 3.370 4.506 ( -1.027 -0.025 -3.710) 3.850 4.522 ( -2.789 -0.757 0.054) 2.890 4.569 ( 1.686 -0.268 -0.030) 1.707 4.589 ( 0.241 -1.316 0.361) 1.386 4.739 ( 4.803 4.391 -6.608) 9.274 4.783 ( 3.509 -1.160 -6.134) 7.161 4.893 ( -2.732 2.601 -4.837) 6.134 4.925 ( -0.854 -1.074 -1.858) 2.310 4.946 ( -0.881 1.812 -2.408) 3.139 4.961 ( -2.685 0.865 -1.405) 3.151 4.971 ( -3.413 0.168 -1.660) 3.799 5.020 ( -2.763 -3.218 -6.187) 7.501 5.212 ( -2.540 0.167 1.565) 2.988 5.221 ( -2.338 -0.766 1.305) 2.785 5.292 ( -1.284 2.234 -2.439) 3.548 5.321 ( -1.187 -0.989 -1.724) 2.315 5.572 ( -0.060 0.218 -0.147) 0.270 5.579 ( -0.569 -0.471 -0.185) 0.762 5.602 ( -0.205 0.459 -0.710) 0.870 5.609 ( -0.172 -0.247 -0.203) 0.364 6.451 ( 0.480 0.428 -1.306) 1.456 6.467 ( -0.198 -1.381 -0.403) 1.453 6.569 ( -2.134 0.612 -3.049) 3.772 6.580 ( -1.161 -0.553 -2.197) 2.545 6.731 ( -3.485 0.768 3.631) 5.091 6.745 ( -5.319 -0.760 3.788) 6.574 6.845 ( -1.696 2.993 -1.610) 3.798 6.884 ( -1.444 -1.134 -0.716) 1.970 6.973 ( -2.104 0.672 0.003) 2.209 6.991 ( -2.911 -1.039 -1.170) 3.305 7.250 ( 1.454 1.020 -0.707) 1.912 7.273 ( 2.479 -1.370 -1.390) 3.155 7.464 ( 1.528 1.633 -0.355) 2.264 7.497 ( 2.075 -1.788 -0.045) 2.739 7.571 ( 5.948 3.259 6.792) 9.598 7.658 ( 9.999 -6.271 6.098) 13.285 7.934 ( -0.947 0.224 1.491) 1.781 7.946 ( -0.938 -1.427 2.555) 3.073 8.110 ( 0.030 0.472 -0.799) 0.928 8.115 ( 0.041 -0.138 -0.959) 0.969 ======================= Grid point 29 (17/50) ======================= q-point: ( 0.14 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 6.996 7.474 14.150) 17.465 0.873 ( 14.678 -5.932 21.749) 26.901 0.942 ( 4.578 -13.463 7.545) 16.098 0.953 ( 3.938 -11.830 9.279) 15.542 1.417 ( -0.161 12.971 0.863) 13.001 1.632 ( -2.035 -3.566 -2.147) 4.633 1.684 ( 3.027 14.130 4.937) 15.270 1.722 ( 7.710 21.079 11.844) 25.378 1.915 ( -0.047 -3.020 -1.111) 3.218 2.010 ( 0.246 -0.994 2.277) 2.497 2.036 ( 2.393 -1.529 2.168) 3.573 2.070 ( -0.732 0.236 -2.243) 2.371 2.088 ( -0.735 0.879 1.458) 1.854 2.142 ( 0.918 -6.708 6.171) 9.161 2.186 ( -3.185 -4.063 -4.799) 7.049 2.195 ( -2.180 -7.091 2.937) 7.979 2.238 ( -3.841 0.943 -0.084) 3.956 2.272 ( 0.097 -1.231 -2.848) 3.104 2.316 ( 1.686 -4.065 -0.799) 4.473 2.366 ( 0.894 -6.361 -0.698) 6.462 2.406 ( -1.042 -0.323 -5.033) 5.150 2.432 ( -2.371 -4.066 -3.763) 6.026 2.514 ( -0.344 0.437 -2.477) 2.539 2.531 ( 1.688 -0.228 0.345) 1.738 2.587 ( 0.315 1.642 -2.091) 2.677 2.612 ( -1.511 0.783 -0.168) 1.710 2.621 ( 0.847 -1.050 0.176) 1.361 2.639 ( 0.117 -0.449 0.195) 0.503 2.691 ( -1.202 1.419 1.539) 2.414 2.741 ( -2.296 -0.829 1.224) 2.730 2.779 ( -1.168 0.503 2.093) 2.449 2.820 ( 0.905 3.593 1.845) 4.139 2.842 ( 0.865 -2.062 -0.646) 2.327 2.905 ( 0.658 -2.203 0.817) 2.440 2.942 ( 1.028 4.527 -0.231) 4.648 3.005 ( 0.282 -1.367 1.107) 1.782 3.011 ( 0.289 2.477 0.293) 2.511 3.050 ( 2.332 -3.486 1.127) 4.343 3.147 ( 2.447 0.542 0.953) 2.682 3.169 ( 0.002 -1.019 0.814) 1.304 3.208 ( 2.599 9.317 4.704) 10.756 3.323 ( 3.268 10.772 5.579) 12.564 3.327 ( 2.504 -1.101 1.685) 3.212 3.406 ( 1.147 0.269 1.435) 1.857 3.434 ( 1.332 -2.717 1.475) 3.367 3.477 ( -0.629 -1.179 3.478) 3.726 3.541 ( 2.276 -0.435 3.488) 4.187 3.578 ( -0.266 -4.624 3.712) 5.935 3.667 ( -0.355 5.532 0.087) 5.544 3.730 ( 1.085 -3.288 -1.015) 3.608 3.787 ( -2.844 0.349 3.755) 4.724 3.814 ( -1.025 -1.481 7.252) 7.472 3.867 ( 6.198 -2.737 1.315) 6.902 3.910 ( 7.081 1.192 -1.444) 7.325 3.918 ( 11.373 -4.403 -2.124) 12.379 3.962 ( 9.325 -2.531 0.108) 9.662 4.003 ( -1.688 0.492 2.992) 3.470 4.011 ( -0.576 -0.786 0.529) 1.109 4.047 ( -1.178 0.490 4.831) 4.997 4.070 ( -5.122 -2.150 7.370) 9.229 4.145 ( 1.359 2.384 -4.973) 5.680 4.176 ( 2.636 -0.887 -4.795) 5.543 4.196 ( -1.052 4.126 -0.617) 4.303 4.228 ( -1.241 0.910 -0.562) 1.639 4.289 ( -2.782 1.890 -3.459) 4.824 4.304 ( -2.581 2.600 -3.633) 5.159 4.370 ( -4.677 3.550 -3.895) 7.046 4.419 ( -1.821 -1.308 -6.241) 6.631 4.460 ( -1.285 -2.367 -1.172) 2.937 4.492 ( -0.743 -3.246 -0.793) 3.423 4.576 ( -0.947 0.527 -1.055) 1.512 4.586 ( -0.072 -0.289 -0.896) 0.944 4.698 ( -3.437 3.951 -5.935) 7.915 4.728 ( -3.740 0.363 -7.052) 7.991 4.813 ( -1.270 0.326 -5.603) 5.754 4.841 ( -3.360 -2.428 -2.513) 4.847 4.889 ( -1.907 0.445 -1.400) 2.407 4.898 ( -1.884 -0.444 -3.363) 3.880 4.951 ( -0.629 0.151 -0.758) 0.996 4.952 ( -1.115 -0.002 -0.478) 1.213 5.193 ( -0.306 0.302 0.688) 0.811 5.203 ( -0.272 -0.638 0.850) 1.098 5.276 ( 0.534 1.442 -1.208) 1.955 5.299 ( -0.238 -0.943 -0.783) 1.249 5.575 ( -0.284 0.251 -0.759) 0.848 5.580 ( 0.519 -0.190 0.041) 0.554 5.593 ( 0.187 -0.071 -0.163) 0.258 5.594 ( -0.578 -0.129 -0.425) 0.729 6.451 ( 0.684 0.159 -1.681) 1.822 6.458 ( 0.028 -0.714 -1.244) 1.434 6.509 ( -1.454 1.531 -2.135) 3.002 6.530 ( -1.506 -0.791 -2.499) 3.024 6.662 ( -5.373 0.250 3.254) 6.287 6.666 ( -5.310 -0.156 3.022) 6.112 6.829 ( -0.457 1.779 0.331) 1.866 6.862 ( -0.971 -1.433 -0.414) 1.780 6.937 ( -2.233 -0.002 0.825) 2.381 6.941 ( -1.557 -0.336 0.851) 1.806 7.287 ( 2.613 1.250 -0.713) 2.983 7.314 ( 2.590 -1.438 -1.208) 3.199 7.510 ( 2.957 1.924 0.154) 3.531 7.552 ( 3.356 -2.413 -0.123) 4.136 7.698 ( 2.818 4.249 3.725) 6.314 7.783 ( 2.163 -4.246 0.134) 4.767 7.923 ( -1.199 0.434 1.389) 1.886 7.942 ( -1.704 -1.928 2.542) 3.617 8.102 ( -0.174 0.415 -0.731) 0.859 8.108 ( -0.090 -0.200 -0.803) 0.832 ======================= Grid point 30 (18/50) ======================= q-point: ( 0.29 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 18.460 3.330 3.505) 19.083 1.172 ( 12.857 -4.660 5.432) 14.715 1.226 ( 16.413 -0.073 6.987) 17.838 1.347 ( 16.878 -11.358 18.844) 27.730 1.474 ( 6.168 9.786 -3.181) 11.997 1.573 ( 3.385 13.366 -6.848) 15.395 1.661 ( 4.218 -8.222 -6.393) 11.237 1.814 ( -2.251 -7.547 -8.112) 11.306 1.922 ( -6.316 3.740 -2.776) 7.848 1.980 ( -2.574 3.949 -4.837) 6.754 2.007 ( -6.856 0.526 -9.349) 11.606 2.038 ( -0.633 -0.468 -1.975) 2.126 2.072 ( -7.898 0.441 -5.458) 9.611 2.127 ( -0.602 -0.515 -2.609) 2.727 2.156 ( 4.375 1.804 4.710) 6.677 2.180 ( 3.797 2.265 7.610) 8.801 2.231 ( 4.426 -2.338 4.264) 6.575 2.256 ( 1.677 -6.019 -0.545) 6.272 2.301 ( 0.122 -0.345 -2.279) 2.308 2.356 ( -2.320 -3.692 -5.696) 7.173 2.407 ( 2.301 0.683 -1.099) 2.640 2.430 ( -3.366 -1.285 -0.144) 3.606 2.509 ( -1.673 2.009 1.274) 2.908 2.533 ( -1.143 -0.023 -0.593) 1.288 2.570 ( -0.213 2.616 0.419) 2.658 2.607 ( 1.119 1.163 -1.482) 2.191 2.645 ( 0.844 5.240 5.179) 7.416 2.682 ( 0.464 -0.953 3.210) 3.381 2.706 ( 1.000 2.559 1.276) 3.029 2.769 ( -0.198 -2.382 4.044) 4.698 2.780 ( 2.344 -4.484 4.268) 6.620 2.829 ( 0.798 -3.558 0.780) 3.728 2.843 ( -2.260 2.609 -2.293) 4.144 2.883 ( -0.991 -0.813 0.483) 1.370 2.919 ( -0.973 5.893 1.205) 6.093 3.030 ( 0.260 1.324 3.120) 3.399 3.055 ( -0.783 -4.007 0.230) 4.089 3.109 ( 1.348 -2.406 1.884) 3.340 3.113 ( -1.402 -1.491 2.277) 3.061 3.142 ( -5.766 -2.458 3.082) 6.985 3.278 ( -0.588 2.433 3.114) 3.995 3.311 ( -5.516 -0.672 0.968) 5.641 3.366 ( -3.089 2.932 3.239) 5.351 3.430 ( -1.166 -0.551 2.111) 2.474 3.444 ( -0.453 -0.750 4.540) 4.624 3.482 ( 1.876 0.375 4.682) 5.057 3.552 ( -6.623 1.030 2.782) 7.257 3.583 ( -2.858 0.467 0.894) 3.031 3.649 ( -1.129 2.381 -0.504) 2.683 3.700 ( -3.263 -2.762 0.007) 4.275 3.784 ( -0.790 3.811 1.152) 4.059 3.835 ( 0.464 0.068 4.488) 4.513 3.864 ( -5.336 -2.592 6.949) 9.136 3.881 ( -6.402 -2.884 0.796) 7.067 3.965 ( -1.509 2.863 3.376) 4.677 4.004 ( -1.387 -2.035 0.964) 2.645 4.044 ( 0.629 0.520 -4.255) 4.332 4.065 ( 2.676 -0.956 -2.176) 3.579 4.110 ( 0.658 0.016 -0.056) 0.661 4.123 ( -1.000 0.769 -0.701) 1.443 4.164 ( 0.333 1.097 -2.091) 2.384 4.174 ( 3.400 1.445 -0.307) 3.707 4.204 ( -1.223 -1.743 -0.470) 2.181 4.217 ( 0.645 -2.330 0.875) 2.571 4.286 ( 10.641 1.186 -6.989) 12.786 4.300 ( 9.984 0.092 -5.730) 11.511 4.362 ( 4.736 1.546 -3.271) 5.959 4.374 ( 0.814 0.291 -4.007) 4.099 4.436 ( 1.442 0.795 -0.900) 1.877 4.475 ( 1.024 -2.629 -2.276) 3.625 4.552 ( 0.802 2.452 0.719) 2.678 4.593 ( 1.687 -1.566 0.236) 2.314 4.627 ( -0.846 1.740 -1.557) 2.483 4.645 ( -1.148 0.171 -1.359) 1.787 4.723 ( -2.205 1.100 -4.721) 5.325 4.760 ( -1.812 -2.445 -2.386) 3.867 4.851 ( -2.586 0.463 -0.257) 2.639 4.858 ( -2.265 -0.197 -0.366) 2.303 4.915 ( -3.033 0.223 0.434) 3.072 4.920 ( -2.630 -0.313 0.296) 2.665 5.205 ( 1.336 0.502 -0.464) 1.501 5.217 ( 1.428 -0.700 -0.377) 1.634 5.280 ( 0.533 0.900 -0.851) 1.348 5.295 ( 0.059 -0.588 -0.278) 0.653 5.550 ( -1.117 0.813 -1.030) 1.723 5.563 ( -1.221 -0.489 -0.547) 1.425 5.602 ( 0.902 0.340 0.073) 0.966 5.614 ( 1.326 -0.769 -0.515) 1.617 6.446 ( 0.031 0.300 -1.401) 1.433 6.453 ( 0.257 -0.451 -0.893) 1.033 6.486 ( 0.143 0.858 -0.639) 1.079 6.500 ( -0.122 -0.592 -1.000) 1.169 6.597 ( -3.859 0.189 3.194) 5.013 6.600 ( -3.889 -0.186 3.383) 5.158 6.818 ( -0.953 0.826 0.542) 1.373 6.834 ( -1.521 -0.771 0.150) 1.712 6.923 ( -0.671 0.271 1.634) 1.787 6.930 ( -0.538 -0.447 1.250) 1.433 7.327 ( 2.173 1.015 -1.198) 2.681 7.348 ( 1.882 -1.161 -1.176) 2.504 7.560 ( 2.270 2.080 -1.065) 3.258 7.605 ( 2.599 -2.611 -1.499) 3.977 7.739 ( 0.255 2.933 0.458) 2.980 7.790 ( -0.395 -2.267 -1.301) 2.644 7.912 ( -1.031 0.464 1.298) 1.721 7.925 ( -1.671 -0.946 2.054) 2.812 8.095 ( -0.006 0.347 -0.613) 0.704 8.101 ( -0.047 -0.284 -0.467) 0.548 ======================= Grid point 31 (19/50) ======================= q-point: ( 0.43 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 4.345 1.732 1.779) 5.004 1.446 ( 12.563 -0.593 0.459) 12.585 1.495 ( 5.479 -0.545 -3.257) 6.398 1.548 ( 2.440 -4.343 -4.510) 6.720 1.641 ( 1.736 4.933 -2.040) 5.614 1.683 ( 15.610 4.988 -5.728) 17.360 1.744 ( -1.723 -1.560 -0.951) 2.511 1.777 ( 7.629 2.858 0.147) 8.148 1.840 ( 5.292 -6.846 -3.489) 9.330 1.866 ( 5.755 -1.469 -3.425) 6.856 1.891 ( 4.098 -1.433 2.261) 4.895 1.970 ( -1.002 -4.794 -7.108) 8.631 2.023 ( 4.865 5.333 -4.353) 8.430 2.101 ( -7.985 4.201 -3.511) 9.682 2.113 ( -3.931 2.208 -1.823) 4.864 2.230 ( -1.462 -1.289 -1.459) 2.435 2.247 ( -1.965 -1.861 -2.632) 3.775 2.279 ( 0.791 -7.550 -0.383) 7.601 2.317 ( 0.067 3.309 -1.609) 3.680 2.341 ( 3.185 -1.521 1.154) 3.714 2.361 ( 2.701 -1.072 0.707) 2.991 2.406 ( 0.711 -4.788 -0.493) 4.865 2.500 ( -0.300 2.858 -6.147) 6.785 2.537 ( 0.119 -1.109 -4.458) 4.596 2.567 ( 0.717 5.726 -1.520) 5.967 2.598 ( -3.408 3.801 -1.785) 5.408 2.626 ( -1.452 2.154 -1.005) 2.785 2.666 ( -0.729 -0.081 -1.724) 1.874 2.734 ( -2.302 3.278 1.739) 4.366 2.759 ( -1.288 1.351 1.405) 2.337 2.793 ( -4.433 -0.250 2.814) 5.257 2.814 ( -3.622 -0.843 -1.771) 4.119 2.854 ( -0.946 -2.636 1.086) 3.004 2.877 ( 1.254 -5.094 3.499) 6.305 2.914 ( -6.017 1.184 4.533) 7.626 2.977 ( -4.585 0.316 7.567) 8.854 3.017 ( -5.632 -0.923 0.780) 5.760 3.041 ( -4.028 -2.794 0.588) 4.937 3.094 ( -7.677 3.906 4.743) 9.833 3.141 ( -4.104 3.109 3.987) 6.511 3.184 ( -2.982 -2.799 -0.306) 4.101 3.191 ( -6.578 -1.238 1.828) 6.938 3.358 ( -2.758 2.719 1.031) 4.008 3.421 ( -3.390 3.141 -2.235) 5.134 3.439 ( -1.459 2.156 -1.156) 2.848 3.480 ( 2.226 -6.448 8.282) 10.730 3.504 ( -1.369 -3.984 1.992) 4.659 3.520 ( -2.460 -2.645 -2.053) 4.155 3.645 ( 1.326 0.370 -3.723) 3.969 3.653 ( 1.724 -1.495 0.743) 2.400 3.692 ( -7.624 3.157 0.114) 8.253 3.755 ( -6.992 -3.279 -1.470) 7.861 3.820 ( -3.168 5.129 -1.816) 6.296 3.909 ( -0.404 -2.864 2.071) 3.558 3.929 ( -3.312 4.045 -0.895) 5.304 3.968 ( -0.742 0.232 1.524) 1.711 4.044 ( -0.916 -0.094 -1.683) 1.919 4.059 ( -1.267 -1.609 -3.623) 4.162 4.082 ( 3.171 3.290 1.483) 4.804 4.119 ( 1.194 0.818 1.073) 1.802 4.138 ( -1.109 0.284 2.555) 2.800 4.182 ( -2.645 -1.150 0.588) 2.944 4.204 ( 1.722 1.340 2.186) 3.089 4.244 ( -0.622 -2.000 0.898) 2.279 4.364 ( 2.386 1.263 -2.839) 3.918 4.417 ( 2.781 -3.499 -2.399) 5.073 4.436 ( 8.829 1.042 -5.217) 10.308 4.461 ( 4.977 -1.728 -2.334) 5.763 4.523 ( 9.297 1.657 -2.951) 9.894 4.552 ( 7.844 -1.323 -2.184) 8.249 4.608 ( 1.722 1.418 -0.235) 2.243 4.635 ( 2.465 -0.962 -0.079) 2.647 4.657 ( 4.936 1.204 1.191) 5.219 4.675 ( 4.481 -0.666 2.080) 4.985 4.714 ( 1.943 2.943 2.804) 4.505 4.757 ( -0.567 -0.907 1.802) 2.096 4.795 ( -2.497 -0.240 2.851) 3.797 4.799 ( -3.322 -0.351 1.897) 3.842 4.847 ( -4.541 -0.044 2.189) 5.042 4.856 ( -4.626 -0.671 1.683) 4.968 5.229 ( 1.405 0.533 -0.617) 1.625 5.243 ( 1.379 -0.843 -0.521) 1.699 5.282 ( 0.482 0.891 -0.753) 1.262 5.296 ( 0.298 -0.472 -0.203) 0.594 5.529 ( -0.169 0.885 -0.725) 1.157 5.544 ( -0.292 -0.647 -0.241) 0.749 5.612 ( 0.284 0.736 -0.482) 0.925 5.629 ( 0.765 -0.991 -0.814) 1.493 6.437 ( -0.126 0.590 -0.441) 0.747 6.449 ( -0.259 -0.643 -0.071) 0.696 6.498 ( 0.701 0.567 0.818) 1.217 6.508 ( 0.747 -0.473 0.906) 1.266 6.572 ( -1.407 0.255 3.510) 3.790 6.577 ( -1.469 -0.245 3.772) 4.055 6.810 ( -0.351 0.537 0.886) 1.094 6.820 ( -0.258 -0.465 1.107) 1.228 6.925 ( -0.521 0.453 1.689) 1.825 6.935 ( -0.111 -0.617 1.733) 1.843 7.348 ( 1.216 0.695 -1.588) 2.117 7.363 ( 0.673 -0.815 -1.396) 1.751 7.570 ( 0.359 2.211 -3.086) 3.813 7.619 ( 0.722 -2.916 -3.416) 4.549 7.723 ( -0.979 2.068 -2.567) 3.438 7.755 ( -1.492 -1.308 -3.172) 3.742 7.906 ( -0.589 0.516 1.582) 1.765 7.917 ( -0.695 -0.618 1.927) 2.140 8.094 ( 0.270 0.352 -0.350) 0.565 8.100 ( 0.259 -0.330 -0.191) 0.461 ======================= Grid point 32 (20/50) ======================= q-point: (-0.43 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -18.460 -3.198 -6.907) 19.968 1.249 ( -12.614 -9.015 0.644) 15.518 1.627 ( -8.245 9.294 -0.256) 12.427 1.680 ( 3.437 -0.726 -1.886) 3.987 1.696 ( 2.973 4.277 -2.321) 5.702 1.742 ( -1.553 6.938 -0.168) 7.112 1.797 ( 7.586 -2.617 -4.380) 9.142 1.844 ( -3.637 -1.050 -0.270) 3.795 1.900 ( -1.280 2.000 -0.003) 2.375 1.915 ( 7.470 0.816 -3.777) 8.410 1.979 ( -1.030 -4.700 -2.509) 5.426 2.006 ( 5.224 -2.839 -0.475) 5.965 2.054 ( 6.426 1.008 -2.598) 7.005 2.073 ( 6.577 0.688 -1.990) 6.906 2.174 ( 4.006 2.954 -5.169) 7.176 2.196 ( 1.293 2.054 0.833) 2.566 2.255 ( 0.837 3.712 -4.257) 5.710 2.314 ( -1.052 -2.010 0.162) 2.274 2.336 ( 2.015 -0.803 4.780) 5.249 2.351 ( -1.167 -1.767 -4.407) 4.890 2.389 ( 9.569 0.321 -2.487) 9.892 2.427 ( 0.714 -3.799 5.004) 6.323 2.459 ( -4.673 3.785 -1.765) 6.267 2.488 ( -2.481 1.034 0.485) 2.731 2.545 ( 5.320 2.532 -5.348) 7.957 2.591 ( 8.861 -1.559 -10.125) 13.545 2.601 ( -2.557 1.775 2.294) 3.867 2.627 ( -2.634 -5.429 -1.617) 6.247 2.651 ( -2.693 -5.237 2.583) 6.431 2.683 ( -5.297 -8.526 -4.815) 11.132 2.693 ( -1.543 0.335 -2.022) 2.565 2.755 ( -5.595 -1.390 6.408) 8.620 2.821 ( -2.435 -2.935 -1.053) 3.956 2.843 ( -0.368 4.987 1.639) 5.263 2.878 ( -0.988 -3.121 -1.471) 3.589 2.902 ( -2.062 -0.642 0.386) 2.194 2.955 ( -1.382 1.291 2.035) 2.778 2.975 ( -5.385 0.118 0.617) 5.421 3.031 ( -0.657 2.377 1.455) 2.863 3.071 ( -6.226 1.800 2.685) 7.016 3.084 ( -4.814 -1.817 -1.041) 5.250 3.126 ( -4.064 -2.674 1.701) 5.154 3.286 ( -6.597 4.874 -2.158) 8.481 3.343 ( -4.839 -0.667 -7.620) 9.051 3.365 ( -4.922 13.378 0.006) 14.255 3.417 ( -0.984 2.917 -3.058) 4.340 3.489 ( -5.339 -5.071 -0.576) 7.386 3.565 ( -3.867 6.167 -3.979) 8.296 3.587 ( -0.479 -7.194 2.085) 7.505 3.604 ( -2.887 4.897 -1.956) 6.011 3.665 ( 0.919 -3.968 0.215) 4.078 3.746 ( 4.317 -2.265 1.181) 5.016 3.761 ( 0.943 1.108 -5.497) 5.687 3.799 ( -4.592 -5.308 -5.203) 8.737 3.894 ( -1.957 3.657 -0.351) 4.162 3.983 ( 1.058 -3.960 -0.070) 4.100 3.994 ( -1.797 0.259 -2.545) 3.126 4.036 ( -0.521 -3.202 -0.920) 3.372 4.119 ( -0.551 1.303 1.283) 1.910 4.131 ( 0.572 0.621 1.058) 1.354 4.164 ( 2.656 1.470 3.951) 4.983 4.201 ( 3.519 -1.889 4.286) 5.859 4.290 ( 3.230 2.852 3.610) 5.621 4.312 ( 3.430 0.269 3.037) 4.589 4.370 ( 1.075 2.962 -0.274) 3.163 4.443 ( 1.250 -4.332 -0.004) 4.508 4.513 ( 2.354 1.596 -1.582) 3.254 4.531 ( 3.398 -0.059 -2.616) 4.289 4.599 ( -0.283 0.645 0.918) 1.157 4.622 ( -3.404 -0.442 1.827) 3.889 4.643 ( 0.867 0.263 -0.230) 0.935 4.681 ( -2.601 -2.207 1.729) 3.824 4.710 ( 0.837 1.833 0.440) 2.063 4.731 ( 2.772 -0.021 -1.304) 3.063 4.734 ( -1.097 -0.298 0.802) 1.391 4.749 ( -0.618 -1.736 1.260) 2.233 4.823 ( 3.140 2.413 3.830) 5.509 4.846 ( 6.153 0.071 3.663) 7.161 4.857 ( 5.505 1.566 4.370) 7.201 4.892 ( 4.181 -1.870 4.235) 6.238 5.243 ( 0.397 0.137 -0.173) 0.454 5.253 ( 0.148 -0.935 -0.347) 1.008 5.295 ( 1.121 1.111 0.048) 1.579 5.308 ( 0.982 -0.303 0.478) 1.133 5.537 ( 1.358 0.763 0.024) 1.558 5.553 ( 1.100 -0.756 0.261) 1.361 5.608 ( -0.276 0.899 -0.362) 1.008 5.627 ( -0.237 -1.001 -1.205) 1.585 6.438 ( 0.297 0.307 0.206) 0.474 6.446 ( -0.172 -0.479 0.314) 0.597 6.516 ( 0.298 0.951 1.280) 1.622 6.532 ( 0.711 -0.700 1.420) 1.736 6.596 ( 0.812 0.132 4.206) 4.286 6.599 ( 0.504 -0.202 4.256) 4.290 6.820 ( 0.747 1.280 0.937) 1.754 6.844 ( 1.662 -1.086 1.713) 2.622 6.933 ( -0.354 0.949 2.918) 3.089 6.954 ( 0.086 -1.127 3.223) 3.416 7.349 ( 0.056 0.216 -1.611) 1.626 7.353 ( -0.401 -0.183 -1.243) 1.319 7.527 ( -1.525 2.212 -4.936) 5.620 7.578 ( -1.511 -3.112 -5.182) 6.230 7.668 ( -1.727 1.586 -5.305) 5.800 7.690 ( -1.750 -0.882 -5.799) 6.122 7.912 ( -0.276 0.563 2.014) 2.109 7.925 ( -0.277 -0.684 2.251) 2.369 8.099 ( 0.434 0.439 -0.093) 0.625 8.107 ( 0.496 -0.359 -0.108) 0.622 ======================= Grid point 33 (21/50) ======================= q-point: (-0.29 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -16.490 8.240 2.204) 18.566 1.106 ( -5.601 -20.402 9.822) 23.325 1.221 ( -21.079 19.951 -8.666) 30.289 1.522 ( -20.649 -11.840 6.535) 24.683 1.617 ( -22.457 6.632 8.476) 24.903 1.698 ( -2.216 -2.033 -6.351) 7.027 1.784 ( -5.436 7.236 5.337) 10.507 1.842 ( 0.893 -0.758 0.687) 1.358 1.917 ( -4.009 2.994 -6.902) 8.525 1.934 ( 4.959 -3.055 2.273) 6.252 1.966 ( -4.564 -4.077 0.021) 6.120 2.013 ( -2.158 0.320 0.840) 2.338 2.055 ( -0.170 -2.141 4.398) 4.895 2.121 ( -6.434 9.650 3.165) 12.022 2.155 ( 1.292 -6.200 -4.045) 7.515 2.231 ( 8.978 -1.836 2.616) 9.530 2.265 ( 2.387 1.923 -1.447) 3.390 2.309 ( 1.641 -1.534 -7.861) 8.175 2.367 ( 4.871 0.249 -0.435) 4.897 2.382 ( -0.166 1.899 0.003) 1.906 2.424 ( -1.529 -4.459 2.744) 5.455 2.473 ( 0.335 3.524 3.701) 5.121 2.483 ( 7.808 -7.621 -0.905) 10.948 2.549 ( 0.993 1.361 -1.475) 2.239 2.588 ( -1.759 -2.218 1.346) 3.134 2.621 ( 2.115 -4.731 -2.812) 5.896 2.661 ( 5.795 1.100 3.321) 6.769 2.679 ( 0.474 1.280 1.734) 2.207 2.711 ( 5.064 1.146 -4.253) 6.712 2.716 ( 12.853 0.406 -7.063) 14.671 2.744 ( 1.742 -0.363 -1.722) 2.477 2.752 ( 7.793 -1.026 -0.215) 7.863 2.811 ( 9.204 0.499 -9.330) 13.116 2.840 ( 6.110 -2.616 -4.120) 7.820 2.852 ( -0.461 -1.013 -0.044) 1.114 2.885 ( -2.541 0.648 -0.480) 2.666 2.919 ( 0.846 0.251 -2.263) 2.429 2.945 ( -1.987 0.729 2.178) 3.037 2.983 ( -2.665 1.615 -2.905) 4.260 3.012 ( -4.425 1.405 3.897) 6.062 3.033 ( -0.278 -0.279 -0.850) 0.937 3.083 ( 0.294 -0.542 1.880) 1.978 3.167 ( -4.483 10.901 0.796) 11.813 3.204 ( -3.447 0.666 -7.781) 8.537 3.245 ( -0.179 1.598 -6.787) 6.974 3.340 ( -4.549 6.682 -3.221) 8.702 3.361 ( -4.027 -6.485 -5.439) 9.373 3.452 ( -2.662 7.851 -3.093) 8.849 3.542 ( -2.509 -8.014 -1.618) 8.552 3.582 ( -2.260 -1.676 -1.094) 3.019 3.640 ( -1.956 -8.551 -4.633) 9.920 3.675 ( -1.151 -5.101 -4.133) 6.665 3.716 ( -0.382 5.581 -5.727) 8.006 3.816 ( 0.648 -4.638 -3.319) 5.740 3.861 ( -2.305 3.596 1.029) 4.393 3.945 ( -2.343 -1.495 1.359) 3.094 4.034 ( 3.633 3.190 0.844) 4.908 4.062 ( 2.087 3.466 2.889) 4.971 4.120 ( 0.040 0.209 1.999) 2.010 4.212 ( 0.989 -5.489 3.620) 6.649 4.235 ( 0.771 2.459 1.651) 3.061 4.275 ( 0.750 0.031 -0.038) 0.752 4.311 ( 2.532 3.211 0.752) 4.158 4.368 ( 1.364 -1.628 0.726) 2.245 4.435 ( 0.758 0.967 2.156) 2.482 4.459 ( -1.058 -0.815 1.709) 2.169 4.506 ( -2.924 0.966 1.804) 3.569 4.525 ( -0.856 -0.612 2.591) 2.797 4.544 ( -4.195 0.763 0.077) 4.264 4.560 ( -4.817 -0.815 1.461) 5.099 4.612 ( -3.581 1.542 3.066) 4.960 4.635 ( -4.691 0.101 3.518) 5.864 4.681 ( 0.286 -0.126 0.306) 0.438 4.711 ( 1.609 -2.428 -0.049) 2.913 4.829 ( 5.481 0.424 -3.015) 6.270 4.836 ( 6.029 -0.244 -2.496) 6.530 4.926 ( 3.709 1.999 1.844) 4.599 4.956 ( 3.189 -0.902 2.386) 4.084 4.980 ( 4.572 1.926 1.257) 5.118 5.018 ( 5.456 -1.717 1.947) 6.042 5.245 ( -0.399 -0.195 0.857) 0.965 5.250 ( -0.525 -0.921 0.689) 1.264 5.322 ( 1.559 1.566 0.196) 2.218 5.337 ( 1.302 -0.314 1.001) 1.673 5.571 ( 1.650 0.377 0.381) 1.735 5.580 ( 1.281 -0.557 0.033) 1.397 5.600 ( -0.447 0.452 0.405) 0.753 5.607 ( -0.600 -0.291 -0.962) 1.171 6.446 ( 0.268 0.090 0.000) 0.283 6.454 ( 0.424 -0.960 1.471) 1.807 6.533 ( 0.952 1.827 1.522) 2.562 6.556 ( 1.099 -0.703 0.782) 1.522 6.652 ( 1.375 0.274 4.423) 4.640 6.662 ( 2.391 -0.689 4.948) 5.538 6.852 ( 1.419 3.074 1.751) 3.812 6.899 ( 1.684 -1.604 2.484) 3.403 6.956 ( 0.379 1.029 3.345) 3.520 6.984 ( 0.363 -1.733 3.865) 4.251 7.321 ( -1.467 1.471 -1.093) 2.348 7.346 ( 0.075 -1.025 -0.007) 1.028 7.450 ( -2.080 1.537 -5.186) 5.795 7.493 ( -2.652 -2.917 -6.592) 7.681 7.579 ( -2.788 1.109 -7.079) 7.689 7.597 ( -2.879 -0.864 -7.377) 7.966 7.923 ( -0.299 0.601 2.182) 2.283 7.937 ( -0.374 -0.806 2.420) 2.578 8.107 ( 0.405 0.552 -0.112) 0.694 8.115 ( 0.476 -0.324 -0.305) 0.652 ======================= Grid point 34 (22/50) ======================= q-point: (-0.14 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -5.725 24.037 10.895) 27.004 0.793 ( -14.955 24.071 3.512) 28.555 1.131 ( -12.092 -16.222 15.751) 25.641 1.176 ( -25.551 3.142 16.003) 30.312 1.202 ( -14.334 -14.439 6.139) 21.251 1.557 ( -9.560 -13.542 8.167) 18.479 1.676 ( -14.966 -1.655 10.639) 18.437 1.764 ( 1.326 3.153 1.106) 3.595 1.865 ( -2.297 -5.438 3.096) 6.666 1.881 ( 0.915 3.857 -0.689) 4.024 1.907 ( -5.376 -2.788 1.617) 6.268 2.079 ( -2.350 8.115 -4.267) 9.464 2.117 ( 1.839 -5.937 4.721) 7.805 2.177 ( 8.077 5.089 0.770) 9.578 2.190 ( 3.334 -3.218 1.196) 4.785 2.227 ( 4.919 0.314 -4.266) 6.519 2.284 ( -3.004 4.971 0.311) 5.817 2.320 ( -0.950 -0.495 -4.473) 4.599 2.389 ( -0.504 -0.632 3.362) 3.458 2.437 ( -2.181 -3.381 -0.215) 4.029 2.489 ( 0.436 -1.711 -4.012) 4.383 2.499 ( 1.141 -0.302 -4.527) 4.679 2.507 ( 4.169 -2.603 3.096) 5.809 2.557 ( 0.187 -1.156 -0.833) 1.437 2.597 ( -1.279 3.820 1.149) 4.189 2.616 ( 2.109 1.333 2.354) 3.430 2.675 ( -2.927 -1.715 -1.469) 3.697 2.697 ( 2.742 -3.970 5.341) 7.197 2.723 ( -3.614 1.640 -2.867) 4.896 2.745 ( -2.691 0.113 -3.758) 4.623 2.797 ( -0.411 4.451 4.368) 6.250 2.822 ( 2.560 1.341 1.307) 3.172 2.856 ( -1.313 8.624 1.133) 8.796 2.871 ( -0.498 -0.736 -2.867) 3.002 2.882 ( 2.624 -1.700 -1.707) 3.562 2.938 ( -2.054 -0.814 0.759) 2.336 2.983 ( 0.097 1.241 -4.206) 4.386 3.010 ( 8.359 1.714 -5.782) 10.308 3.014 ( 7.395 -0.585 -8.583) 11.345 3.026 ( 3.386 0.218 -3.009) 4.535 3.055 ( 12.353 1.198 -5.688) 13.652 3.088 ( 10.580 -3.491 -5.985) 12.647 3.148 ( 1.352 3.299 1.514) 3.874 3.196 ( 0.872 2.252 -0.145) 2.419 3.234 ( 4.852 0.519 -4.329) 6.523 3.304 ( 4.799 1.149 -1.364) 5.119 3.337 ( 6.812 -1.307 -3.983) 7.999 3.428 ( 2.204 4.677 -1.853) 5.493 3.502 ( 0.824 -14.005 -0.444) 14.036 3.542 ( -0.138 1.076 0.388) 1.152 3.617 ( 2.516 -9.510 -1.353) 9.930 3.655 ( 1.386 -4.194 -1.430) 4.643 3.690 ( 1.278 6.234 -3.135) 7.094 3.791 ( -0.168 -3.699 -2.185) 4.300 3.844 ( 0.023 3.724 2.074) 4.263 3.923 ( -0.342 -2.347 0.758) 2.490 4.038 ( -3.627 8.459 0.385) 9.212 4.074 ( -4.586 3.430 2.328) 6.182 4.151 ( -1.294 -2.866 4.097) 5.165 4.175 ( -4.107 -3.304 3.507) 6.331 4.205 ( -2.912 3.662 -0.976) 4.780 4.277 ( -0.564 -2.130 -1.007) 2.423 4.344 ( -4.639 2.351 5.292) 7.420 4.373 ( -2.448 2.557 -0.056) 3.541 4.396 ( -3.346 -2.606 2.345) 4.846 4.413 ( -4.297 -1.824 -0.309) 4.679 4.463 ( -0.225 1.911 -0.242) 1.940 4.508 ( 1.157 -1.932 0.967) 2.450 4.531 ( 0.359 2.019 1.087) 2.321 4.551 ( 0.113 0.141 -0.463) 0.497 4.573 ( -3.250 0.355 1.569) 3.627 4.591 ( -1.813 -0.602 1.812) 2.633 4.697 ( 2.450 3.431 -2.251) 4.780 4.748 ( 3.293 -2.173 -3.030) 4.975 4.894 ( 3.460 0.451 -2.398) 4.234 4.908 ( 3.167 -0.863 -1.730) 3.711 4.968 ( 1.046 3.064 -2.346) 3.998 5.002 ( 0.004 0.112 0.526) 0.538 5.028 ( 1.034 1.149 -3.177) 3.533 5.079 ( 0.748 -2.936 -2.668) 4.037 5.242 ( -1.299 -0.278 1.534) 2.029 5.245 ( -0.768 -0.911 0.753) 1.409 5.339 ( 0.175 1.429 -2.536) 2.917 5.354 ( -0.187 -0.236 -0.958) 1.005 5.581 ( -0.455 0.287 -0.372) 0.654 5.590 ( 0.062 -0.622 0.366) 0.725 5.605 ( 0.401 0.222 -0.251) 0.523 5.607 ( 0.423 0.021 -0.318) 0.529 6.450 ( 0.336 0.417 -0.435) 0.690 6.468 ( -0.026 -1.652 0.822) 1.845 6.584 ( 1.819 -0.144 1.052) 2.107 6.585 ( 1.355 -0.246 0.027) 1.378 6.713 ( 1.098 1.490 5.237) 5.555 6.747 ( 1.543 -2.147 5.333) 5.952 6.885 ( 0.392 3.264 -0.369) 3.308 6.918 ( -0.725 -0.220 0.934) 1.203 6.989 ( 0.902 1.515 1.519) 2.327 7.026 ( 0.863 -1.774 0.653) 2.078 7.270 ( -2.507 1.833 -2.258) 3.840 7.316 ( -4.588 -3.084 -5.587) 7.860 7.426 ( 2.082 0.362 2.627) 3.371 7.432 ( 3.404 -0.233 4.301) 5.490 7.478 ( -1.790 1.808 -3.554) 4.371 7.509 ( -1.231 -1.358 -3.410) 3.871 7.932 ( -0.417 0.444 1.963) 2.055 7.945 ( -0.739 -0.832 2.332) 2.584 8.111 ( 0.294 0.600 -0.447) 0.804 8.119 ( 0.273 -0.210 -0.705) 0.785 ======================= Grid point 42 (23/50) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -8.340 0.000 25.379) 26.714 1.141 ( 8.251 0.000 26.027) 27.304 1.326 ( -6.397 0.000 2.319) 6.804 1.371 ( -7.438 0.000 -0.262) 7.442 1.471 ( -12.064 0.000 17.824) 21.523 1.563 ( -18.493 0.000 13.448) 22.866 1.596 ( -0.930 0.000 30.390) 30.404 1.872 ( 0.160 0.000 1.968) 1.975 1.897 ( -1.574 0.000 -8.613) 8.755 2.012 ( -0.101 0.000 2.715) 2.716 2.040 ( -0.354 0.000 -0.004) 0.354 2.104 ( -3.035 0.000 1.808) 3.533 2.131 ( -2.967 0.000 -0.474) 3.005 2.158 ( 6.251 0.000 6.985) 9.374 2.164 ( -5.947 0.000 -4.282) 7.328 2.274 ( 6.856 0.000 1.949) 7.128 2.276 ( 4.026 0.000 -3.991) 5.669 2.331 ( -2.187 0.000 -2.684) 3.462 2.351 ( -7.365 0.000 -1.952) 7.619 2.445 ( -2.345 0.000 -2.833) 3.678 2.447 ( -3.440 0.000 -4.689) 5.816 2.498 ( 2.964 0.000 1.031) 3.138 2.515 ( -7.326 0.000 -1.367) 7.453 2.550 ( 0.439 0.000 -4.252) 4.275 2.591 ( 1.338 0.000 0.181) 1.351 2.598 ( 2.202 0.000 3.796) 4.388 2.610 ( 0.546 0.000 2.264) 2.328 2.646 ( -4.928 0.000 -3.259) 5.908 2.683 ( -3.401 0.000 3.666) 5.001 2.755 ( -0.590 0.000 -1.551) 1.659 2.773 ( 2.970 0.000 -2.935) 4.175 2.824 ( 1.395 0.000 -1.901) 2.358 2.865 ( 3.838 0.000 -2.189) 4.419 2.892 ( 1.820 0.000 -3.239) 3.716 2.919 ( 3.542 0.000 7.089) 7.924 2.948 ( 3.622 0.000 6.275) 7.245 2.977 ( 14.372 0.000 -5.244) 15.299 3.003 ( 7.613 0.000 1.183) 7.704 3.030 ( 5.823 0.000 0.118) 5.824 3.056 ( 2.444 0.000 5.853) 6.343 3.086 ( 5.085 0.000 -0.652) 5.127 3.100 ( 8.664 0.000 -4.189) 9.623 3.171 ( 11.613 0.000 -3.433) 12.110 3.310 ( 0.309 0.000 3.479) 3.493 3.377 ( 6.040 0.000 3.833) 7.154 3.438 ( 9.821 0.000 -0.499) 9.834 3.445 ( 6.294 0.000 1.708) 6.521 3.556 ( 2.931 0.000 3.378) 4.472 3.574 ( -0.020 0.000 -8.334) 8.334 3.598 ( 8.566 0.000 -5.553) 10.209 3.664 ( 2.967 0.000 2.469) 3.860 3.803 ( 3.540 0.000 -5.073) 6.186 3.813 ( -2.695 0.000 -5.687) 6.293 3.831 ( 2.850 0.000 0.206) 2.857 3.897 ( -2.406 0.000 1.168) 2.675 3.943 ( 3.701 0.000 4.654) 5.946 4.022 ( 4.035 0.000 5.804) 7.068 4.075 ( 5.242 0.000 5.595) 7.668 4.114 ( -0.620 0.000 -4.220) 4.265 4.129 ( -4.983 0.000 -5.133) 7.154 4.140 ( -3.271 0.000 0.026) 3.271 4.157 ( -2.333 0.000 -1.420) 2.731 4.243 ( -1.969 0.000 -3.737) 4.224 4.317 ( -5.532 0.000 -1.816) 5.823 4.360 ( -6.998 0.000 4.638) 8.396 4.403 ( -5.897 0.000 2.844) 6.547 4.426 ( -4.658 0.000 4.317) 6.351 4.466 ( -5.772 0.000 5.228) 7.788 4.497 ( -2.715 0.000 -0.210) 2.723 4.540 ( -3.045 0.000 2.592) 3.999 4.568 ( -0.614 0.000 -1.126) 1.282 4.610 ( -1.575 0.000 0.872) 1.801 4.628 ( -0.315 0.000 -2.231) 2.253 4.681 ( -1.061 0.000 -3.116) 3.292 4.755 ( -1.006 0.000 -5.740) 5.827 4.878 ( -1.137 0.000 -4.252) 4.401 4.884 ( 3.449 0.000 -3.264) 4.748 4.911 ( 1.410 0.000 -5.583) 5.758 4.916 ( -2.382 0.000 -2.461) 3.425 4.932 ( -3.598 0.000 -4.092) 5.449 5.225 ( 0.806 0.000 -1.043) 1.319 5.229 ( -1.995 0.000 0.210) 2.007 5.254 ( -1.690 0.000 0.703) 1.830 5.305 ( 0.071 0.000 -1.080) 1.082 5.561 ( 1.082 0.000 -0.653) 1.264 5.563 ( -0.200 0.000 -1.521) 1.535 5.582 ( 0.283 0.000 -0.251) 0.378 5.607 ( -0.735 0.000 -0.447) 0.860 6.423 ( -0.225 0.000 -0.579) 0.621 6.472 ( -0.563 0.000 -1.140) 1.272 6.487 ( -2.482 0.000 -2.725) 3.686 6.527 ( -1.488 0.000 -3.190) 3.520 6.787 ( -3.662 0.000 2.493) 4.430 6.810 ( -4.709 0.000 1.908) 5.081 6.825 ( 0.241 0.000 0.927) 0.958 6.884 ( -0.518 0.000 -0.979) 1.107 7.002 ( -2.286 0.000 3.081) 3.836 7.020 ( -3.527 0.000 2.473) 4.307 7.216 ( 2.072 0.000 -2.038) 2.907 7.236 ( 3.800 0.000 -2.973) 4.825 7.442 ( 2.132 0.000 -0.077) 2.133 7.492 ( 3.100 0.000 -1.582) 3.481 7.668 ( 3.195 0.000 4.986) 5.922 7.743 ( 4.696 0.000 0.357) 4.710 7.962 ( -1.300 0.000 1.706) 2.145 8.020 ( -0.526 0.000 2.278) 2.338 8.079 ( 0.254 0.000 -1.747) 1.766 8.100 ( 0.276 0.000 -0.372) 0.463 ======================= Grid point 43 (24/50) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -6.722 0.000 22.223) 23.218 1.281 ( -2.976 0.000 5.080) 5.887 1.300 ( -4.461 0.000 9.936) 10.892 1.367 ( -5.567 0.000 9.174) 10.731 1.402 ( -6.491 0.000 15.135) 16.468 1.541 ( 12.212 0.000 23.576) 26.552 1.783 ( -2.267 0.000 -4.452) 4.996 1.799 ( -3.930 0.000 -3.736) 5.423 1.894 ( -7.950 0.000 -5.106) 9.448 1.927 ( 1.079 0.000 12.403) 12.449 1.998 ( -5.514 0.000 1.493) 5.712 2.087 ( -2.498 0.000 0.143) 2.502 2.090 ( -2.218 0.000 -3.403) 4.062 2.144 ( 3.463 0.000 3.682) 5.054 2.155 ( -7.356 0.000 -6.498) 9.815 2.192 ( 1.751 0.000 3.392) 3.817 2.218 ( -1.203 0.000 -2.728) 2.981 2.331 ( -1.076 0.000 -0.179) 1.090 2.354 ( -5.386 0.000 -1.167) 5.511 2.385 ( 0.478 0.000 -10.078) 10.089 2.438 ( -1.793 0.000 -1.729) 2.491 2.445 ( 4.353 0.000 2.341) 4.942 2.456 ( -2.718 0.000 -3.404) 4.356 2.494 ( -4.393 0.000 -8.182) 9.287 2.546 ( -2.566 0.000 -1.792) 3.130 2.585 ( -6.024 0.000 2.005) 6.349 2.655 ( 3.446 0.000 -1.066) 3.607 2.661 ( 7.285 0.000 10.000) 12.372 2.676 ( 1.272 0.000 -1.152) 1.716 2.749 ( 2.811 0.000 -1.309) 3.101 2.756 ( 0.549 0.000 0.747) 0.927 2.856 ( 0.274 0.000 0.632) 0.689 2.868 ( -3.464 0.000 2.962) 4.558 2.942 ( 1.648 0.000 3.345) 3.729 2.990 ( 2.282 0.000 2.539) 3.414 3.046 ( -0.136 0.000 -1.271) 1.278 3.103 ( -0.007 0.000 -1.853) 1.853 3.123 ( -0.143 0.000 -0.183) 0.233 3.124 ( 2.474 0.000 1.049) 2.687 3.135 ( 7.544 0.000 -1.556) 7.703 3.231 ( 11.312 0.000 -3.566) 11.861 3.290 ( 8.316 0.000 5.457) 9.947 3.304 ( 4.381 0.000 4.903) 6.575 3.416 ( 5.229 0.000 0.162) 5.231 3.474 ( 0.862 0.000 -3.029) 3.150 3.522 ( 3.170 0.000 -8.527) 9.097 3.528 ( 0.915 0.000 -1.851) 2.065 3.542 ( 6.826 0.000 5.283) 8.632 3.687 ( 3.006 0.000 -0.273) 3.018 3.690 ( -3.476 0.000 -4.699) 5.845 3.732 ( 3.234 0.000 0.394) 3.258 3.797 ( 13.501 0.000 -5.297) 14.503 3.822 ( 4.279 0.000 -9.959) 10.839 3.897 ( 9.202 0.000 -3.414) 9.815 3.914 ( -0.441 0.000 -8.169) 8.181 3.952 ( 5.851 0.000 -4.638) 7.467 4.027 ( -7.969 0.000 1.715) 8.152 4.056 ( -4.697 0.000 -5.505) 7.236 4.080 ( 1.685 0.000 1.940) 2.570 4.134 ( 3.152 0.000 0.799) 3.252 4.137 ( -0.414 0.000 0.245) 0.481 4.169 ( -2.310 0.000 6.061) 6.486 4.203 ( -5.581 0.000 3.410) 6.541 4.221 ( -4.069 0.000 1.333) 4.282 4.270 ( -2.923 0.000 7.164) 7.738 4.302 ( -3.978 0.000 -1.294) 4.183 4.365 ( -5.740 0.000 9.119) 10.775 4.370 ( -7.329 0.000 2.949) 7.900 4.469 ( -0.808 0.000 0.779) 1.123 4.497 ( -0.394 0.000 1.060) 1.131 4.567 ( -3.081 0.000 -0.964) 3.228 4.584 ( 0.964 0.000 0.285) 1.005 4.601 ( -0.446 0.000 0.271) 0.522 4.650 ( -0.529 0.000 0.779) 0.942 4.675 ( -1.721 0.000 -5.599) 5.857 4.801 ( -2.439 0.000 -2.433) 3.445 4.874 ( -0.496 0.000 -0.945) 1.068 4.875 ( -0.618 0.000 -1.050) 1.218 4.910 ( 1.680 0.000 -2.948) 3.393 4.915 ( 1.166 0.000 -3.252) 3.455 5.198 ( -1.136 0.000 0.061) 1.138 5.227 ( -1.327 0.000 0.799) 1.549 5.242 ( 1.142 0.000 -0.384) 1.205 5.303 ( -0.001 0.000 -0.276) 0.276 5.542 ( -0.889 0.000 -1.369) 1.632 5.578 ( 1.089 0.000 -1.050) 1.513 5.583 ( -1.209 0.000 -0.753) 1.425 5.594 ( 0.909 0.000 0.287) 0.953 6.424 ( 0.481 0.000 -0.301) 0.567 6.449 ( -0.142 0.000 -0.526) 0.545 6.460 ( 0.334 0.000 -0.813) 0.879 6.489 ( -0.124 0.000 -1.709) 1.714 6.723 ( -4.722 0.000 3.009) 5.599 6.736 ( -4.728 0.000 3.043) 5.623 6.834 ( -0.228 0.000 1.191) 1.213 6.870 ( -0.733 0.000 0.048) 0.734 6.981 ( -2.425 0.000 2.922) 3.798 6.985 ( -2.103 0.000 2.878) 3.565 7.249 ( 2.681 0.000 -2.081) 3.394 7.283 ( 3.360 0.000 -3.026) 4.522 7.481 ( 2.126 0.000 -1.022) 2.359 7.536 ( 3.060 0.000 -3.012) 4.294 7.725 ( 0.281 0.000 1.664) 1.687 7.781 ( 0.622 0.000 -1.877) 1.978 7.949 ( -1.364 0.000 1.843) 2.293 8.011 ( -2.140 0.000 1.973) 2.911 8.072 ( 0.361 0.000 -1.434) 1.479 8.101 ( -0.021 0.000 -0.270) 0.271 ======================= Grid point 44 (25/50) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 5.658 0.000 12.508) 13.728 1.277 ( 1.206 0.000 3.220) 3.438 1.361 ( 5.728 0.000 9.151) 10.795 1.455 ( 1.366 0.000 10.539) 10.627 1.521 ( 8.809 0.000 11.154) 14.213 1.693 ( -5.714 0.000 -3.078) 6.491 1.710 ( -1.470 0.000 -4.844) 5.062 1.722 ( -2.071 0.000 -6.986) 7.287 1.825 ( -5.838 0.000 -4.072) 7.118 1.871 ( -6.659 0.000 -2.676) 7.176 1.883 ( -7.267 0.000 -3.692) 8.151 1.964 ( 8.116 0.000 13.199) 15.494 1.999 ( -2.745 0.000 -8.251) 8.695 2.026 ( -1.359 0.000 -5.204) 5.378 2.172 ( -2.188 0.000 -4.606) 5.100 2.196 ( -5.006 0.000 -3.132) 5.905 2.239 ( -1.738 0.000 -8.791) 8.961 2.256 ( -5.692 0.000 -7.240) 9.209 2.265 ( -7.714 0.000 -3.684) 8.549 2.309 ( -1.181 0.000 -2.759) 3.001 2.381 ( 4.854 0.000 6.843) 8.390 2.396 ( 0.068 0.000 -2.497) 2.498 2.459 ( 2.207 0.000 -1.796) 2.846 2.494 ( 4.305 0.000 3.953) 5.845 2.569 ( 0.964 0.000 1.014) 1.399 2.625 ( 2.011 0.000 4.377) 4.817 2.672 ( -1.052 0.000 -5.556) 5.655 2.673 ( 1.502 0.000 3.737) 4.027 2.719 ( -1.256 0.000 4.442) 4.616 2.750 ( -2.537 0.000 2.732) 3.728 2.812 ( -2.324 0.000 -2.051) 3.099 2.885 ( 2.987 0.000 9.218) 9.690 2.946 ( 4.127 0.000 5.386) 6.785 2.965 ( -0.407 0.000 0.883) 0.973 3.004 ( 0.030 0.000 -2.389) 2.390 3.038 ( -2.266 0.000 -5.310) 5.773 3.041 ( -4.612 0.000 1.713) 4.920 3.062 ( -0.415 0.000 -3.441) 3.466 3.142 ( 1.172 0.000 0.699) 1.364 3.183 ( 0.306 0.000 -6.564) 6.571 3.265 ( -4.998 0.000 -4.018) 6.413 3.345 ( -4.981 0.000 -9.762) 10.959 3.374 ( -1.936 0.000 1.978) 2.768 3.406 ( 4.818 0.000 2.972) 5.661 3.545 ( -0.031 0.000 -0.327) 0.328 3.550 ( 1.896 0.000 -0.248) 1.913 3.582 ( 4.705 0.000 4.458) 6.481 3.606 ( -4.771 0.000 -3.633) 5.997 3.651 ( -5.029 0.000 -4.568) 6.794 3.682 ( 4.708 0.000 -7.255) 8.649 3.705 ( -0.120 0.000 3.636) 3.638 3.802 ( -0.879 0.000 -7.986) 8.034 3.859 ( -9.983 0.000 0.709) 10.008 3.925 ( 6.379 0.000 2.486) 6.846 3.983 ( 0.009 0.000 -0.328) 0.328 3.995 ( 4.269 0.000 -2.433) 4.914 4.027 ( -0.031 0.000 1.591) 1.592 4.032 ( 1.323 0.000 -2.452) 2.786 4.072 ( -1.863 0.000 2.421) 3.055 4.107 ( 1.474 0.000 -6.080) 6.257 4.137 ( 4.498 0.000 -3.690) 5.818 4.144 ( 0.168 0.000 5.328) 5.331 4.206 ( -2.973 0.000 3.716) 4.759 4.220 ( 4.354 0.000 2.704) 5.125 4.247 ( 3.782 0.000 -0.891) 3.886 4.273 ( -0.860 0.000 1.610) 1.825 4.293 ( -1.096 0.000 -2.784) 2.992 4.337 ( -3.070 0.000 2.902) 4.225 4.477 ( 0.114 0.000 0.036) 0.120 4.505 ( -0.185 0.000 -0.031) 0.187 4.548 ( 2.247 0.000 1.558) 2.734 4.610 ( 1.495 0.000 0.483) 1.571 4.633 ( 1.708 0.000 6.180) 6.412 4.669 ( 2.563 0.000 2.216) 3.389 4.684 ( 1.732 0.000 4.808) 5.111 4.784 ( 0.899 0.000 1.430) 1.689 4.859 ( -1.023 0.000 -0.187) 1.040 4.862 ( -1.227 0.000 0.336) 1.272 4.901 ( -0.483 0.000 -1.547) 1.620 4.904 ( -0.238 0.000 -2.049) 2.063 5.193 ( 0.686 0.000 -0.191) 0.712 5.225 ( 0.642 0.000 0.463) 0.792 5.253 ( 0.300 0.000 -0.467) 0.555 5.298 ( -0.174 0.000 -0.332) 0.374 5.514 ( -0.817 0.000 -1.092) 1.364 5.558 ( -0.747 0.000 -0.331) 0.817 5.583 ( 0.687 0.000 -1.687) 1.822 5.613 ( 0.766 0.000 -0.088) 0.771 6.431 ( 0.254 0.000 0.653) 0.701 6.462 ( 0.665 0.000 1.036) 1.231 6.476 ( 1.520 0.000 0.292) 1.548 6.501 ( 1.564 0.000 0.642) 1.690 6.669 ( -3.569 0.000 3.966) 5.335 6.685 ( -3.463 0.000 4.077) 5.349 6.832 ( -1.040 0.000 0.994) 1.438 6.855 ( -1.224 0.000 0.872) 1.503 6.970 ( -1.103 0.000 3.124) 3.313 6.976 ( -0.732 0.000 3.121) 3.206 7.280 ( 2.321 0.000 -2.185) 3.188 7.314 ( 2.445 0.000 -3.251) 4.068 7.496 ( 0.824 0.000 -2.871) 2.987 7.555 ( 2.034 0.000 -5.038) 5.433 7.707 ( -2.086 0.000 -1.537) 2.591 7.750 ( -1.603 0.000 -3.688) 4.021 7.941 ( -0.995 0.000 2.230) 2.442 7.984 ( -2.044 0.000 2.433) 3.178 8.072 ( 0.575 0.000 -1.007) 1.159 8.097 ( 0.001 0.000 -0.474) 0.474 ======================= Grid point 45 (26/50) ======================= q-point: (-0.57 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 6.446 0.000 -5.417) 8.420 1.479 ( 9.724 0.000 1.793) 9.888 1.528 ( -7.386 0.000 -5.111) 8.982 1.542 ( -1.140 0.000 -4.177) 4.330 1.595 ( 5.663 0.000 8.922) 10.568 1.650 ( 5.849 0.000 -0.724) 5.893 1.651 ( -1.476 0.000 -1.288) 1.959 1.680 ( 2.734 0.000 -10.103) 10.467 1.704 ( -3.748 0.000 -3.243) 4.956 1.797 ( 2.153 0.000 -3.099) 3.773 1.835 ( 7.666 0.000 4.187) 8.735 1.934 ( -1.880 0.000 -1.786) 2.593 1.943 ( -3.633 0.000 -3.173) 4.824 1.963 ( 4.075 0.000 -3.111) 5.127 2.070 ( -3.198 0.000 -7.424) 8.083 2.143 ( 1.252 0.000 -9.738) 9.818 2.153 ( 3.206 0.000 -8.532) 9.114 2.191 ( 1.948 0.000 -4.035) 4.480 2.236 ( -0.629 0.000 1.855) 1.959 2.308 ( 2.746 0.000 3.221) 4.233 2.394 ( 1.231 0.000 -4.379) 4.549 2.416 ( -11.196 0.000 -0.994) 11.240 2.523 ( 1.666 0.000 2.456) 2.968 2.552 ( 5.090 0.000 9.809) 11.051 2.590 ( 1.733 0.000 -1.707) 2.432 2.625 ( -1.438 0.000 3.804) 4.067 2.642 ( -3.627 0.000 -0.784) 3.711 2.672 ( 0.165 0.000 0.051) 0.173 2.707 ( -1.958 0.000 1.013) 2.204 2.759 ( -2.033 0.000 -3.225) 3.813 2.790 ( -0.250 0.000 6.349) 6.354 2.879 ( -5.374 0.000 -4.773) 7.187 2.880 ( -4.623 0.000 -2.061) 5.061 2.950 ( 0.084 0.000 0.631) 0.636 2.968 ( -1.723 0.000 1.170) 2.083 2.985 ( -1.138 0.000 -1.556) 1.928 3.012 ( -4.713 0.000 0.494) 4.739 3.070 ( -3.737 0.000 -11.248) 11.853 3.094 ( -6.960 0.000 -1.265) 7.074 3.173 ( 4.236 0.000 10.204) 11.049 3.193 ( -2.997 0.000 -6.109) 6.805 3.212 ( 1.505 0.000 2.921) 3.285 3.269 ( -11.197 0.000 6.149) 12.774 3.397 ( -11.054 0.000 -4.910) 12.095 3.466 ( -11.055 0.000 6.462) 12.805 3.485 ( -5.371 0.000 2.384) 5.876 3.524 ( -4.712 0.000 -6.132) 7.734 3.533 ( -0.793 0.000 -3.161) 3.259 3.623 ( 3.070 0.000 -2.478) 3.945 3.653 ( 4.135 0.000 0.689) 4.192 3.687 ( -3.893 0.000 -5.588) 6.810 3.735 ( -2.654 0.000 -6.741) 7.244 3.803 ( -1.404 0.000 7.966) 8.089 3.873 ( -9.143 0.000 1.228) 9.225 3.931 ( -3.629 0.000 -3.127) 4.791 3.961 ( -2.744 0.000 -1.560) 3.157 4.035 ( -2.015 0.000 -1.072) 2.283 4.103 ( 5.520 0.000 4.823) 7.330 4.114 ( 4.763 0.000 7.267) 8.689 4.146 ( 2.205 0.000 -1.002) 2.422 4.191 ( -4.207 0.000 1.302) 4.404 4.227 ( 0.990 0.000 4.024) 4.144 4.235 ( 4.971 0.000 -2.766) 5.688 4.259 ( -0.249 0.000 3.376) 3.385 4.290 ( 1.470 0.000 -1.726) 2.268 4.294 ( 10.067 0.000 -2.475) 10.367 4.371 ( 7.418 0.000 -5.651) 9.325 4.399 ( 8.407 0.000 0.237) 8.410 4.486 ( 3.104 0.000 -2.613) 4.057 4.570 ( 0.890 0.000 -1.951) 2.145 4.590 ( 7.445 0.000 0.250) 7.449 4.635 ( 1.278 0.000 -1.423) 1.913 4.713 ( -0.009 0.000 5.653) 5.653 4.744 ( 0.643 0.000 2.639) 2.716 4.787 ( 4.668 0.000 5.879) 7.506 4.815 ( -0.302 0.000 2.398) 2.417 4.829 ( -2.299 0.000 0.881) 2.462 4.841 ( -0.398 0.000 1.931) 1.972 4.874 ( -1.926 0.000 -0.085) 1.927 4.902 ( 1.659 0.000 1.530) 2.257 5.213 ( 1.439 0.000 -0.433) 1.502 5.249 ( 0.018 0.000 -0.861) 0.862 5.253 ( 1.663 0.000 0.353) 1.700 5.298 ( 0.547 0.000 -0.074) 0.552 5.507 ( 0.717 0.000 -0.095) 0.724 5.554 ( 0.243 0.000 0.306) 0.391 5.583 ( 0.672 0.000 -1.510) 1.653 5.617 ( 0.000 0.000 -1.000) 1.000 6.444 ( 0.217 0.000 1.668) 1.683 6.477 ( -0.181 0.000 1.819) 1.828 6.510 ( 1.098 0.000 0.853) 1.390 6.541 ( 1.201 0.000 1.441) 1.876 6.654 ( -1.290 0.000 4.549) 4.728 6.671 ( -1.463 0.000 4.742) 4.962 6.813 ( -0.848 0.000 -0.213) 0.874 6.846 ( 0.271 0.000 0.449) 0.525 6.985 ( -0.448 0.000 4.756) 4.777 7.011 ( 0.786 0.000 4.901) 4.964 7.303 ( 1.646 0.000 -2.039) 2.620 7.326 ( 1.271 0.000 -2.874) 3.142 7.468 ( -0.831 0.000 -4.082) 4.166 7.534 ( 0.492 0.000 -6.931) 6.948 7.632 ( -3.369 0.000 -4.122) 5.324 7.670 ( -2.897 0.000 -5.615) 6.318 7.946 ( -0.527 0.000 2.704) 2.755 7.978 ( -0.808 0.000 2.900) 3.010 8.079 ( 0.754 0.000 -0.677) 1.013 8.096 ( 0.375 0.000 -0.633) 0.736 ======================= Grid point 46 (27/50) ======================= q-point: (-0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -15.626 0.000 -1.514) 15.699 1.175 ( -19.406 0.000 -10.893) 22.254 1.581 ( 2.231 0.000 -5.218) 5.676 1.590 ( 6.976 0.000 -12.330) 14.167 1.611 ( 1.156 0.000 -0.403) 1.224 1.699 ( -0.155 0.000 7.859) 7.861 1.728 ( 7.647 0.000 0.194) 7.650 1.794 ( 7.316 0.000 3.613) 8.160 1.841 ( 9.844 0.000 1.466) 9.953 1.886 ( 11.518 0.000 -6.658) 13.304 1.954 ( 12.069 0.000 -6.571) 13.742 1.986 ( 1.674 0.000 -4.704) 4.993 2.029 ( 6.815 0.000 0.321) 6.823 2.058 ( 12.554 0.000 4.892) 13.474 2.101 ( -1.583 0.000 -3.704) 4.028 2.116 ( -5.756 0.000 -2.688) 6.353 2.175 ( -2.976 0.000 -0.444) 3.009 2.177 ( 6.264 0.000 -7.059) 9.437 2.263 ( -2.683 0.000 -6.524) 7.054 2.282 ( 6.873 0.000 -7.266) 10.002 2.317 ( 15.592 0.000 7.108) 17.135 2.369 ( 1.303 0.000 -5.909) 6.051 2.461 ( -15.400 0.000 4.635) 16.083 2.517 ( 0.237 0.000 -1.694) 1.710 2.573 ( -7.096 0.000 -2.485) 7.518 2.577 ( -6.725 0.000 -5.873) 8.929 2.627 ( -0.608 0.000 1.227) 1.369 2.648 ( -2.930 0.000 -1.273) 3.195 2.707 ( -5.829 0.000 1.427) 6.001 2.741 ( 0.442 0.000 -1.033) 1.124 2.760 ( 2.521 0.000 2.363) 3.455 2.812 ( 0.403 0.000 2.486) 2.519 2.883 ( -3.218 0.000 1.015) 3.374 2.889 ( -0.396 0.000 -3.903) 3.923 2.932 ( -3.275 0.000 0.592) 3.328 2.954 ( -3.019 0.000 6.186) 6.884 2.964 ( -3.890 0.000 4.166) 5.700 3.010 ( 1.543 0.000 2.298) 2.768 3.016 ( -4.606 0.000 5.466) 7.148 3.090 ( -4.636 0.000 5.080) 6.877 3.093 ( -5.827 0.000 2.247) 6.245 3.157 ( -6.661 0.000 -3.554) 7.550 3.202 ( -5.946 0.000 1.768) 6.204 3.212 ( -3.783 0.000 -5.289) 6.502 3.244 ( -10.085 0.000 -1.157) 10.151 3.366 ( -6.161 0.000 -2.593) 6.684 3.382 ( -9.850 0.000 6.595) 11.854 3.552 ( -3.243 0.000 -4.160) 5.275 3.590 ( -7.760 0.000 -1.424) 7.890 3.624 ( 0.081 0.000 6.742) 6.742 3.634 ( 1.650 0.000 -5.872) 6.099 3.726 ( -2.199 0.000 2.802) 3.562 3.747 ( -0.452 0.000 -0.327) 0.558 3.859 ( 0.633 0.000 0.447) 0.775 3.860 ( -3.397 0.000 -4.501) 5.639 3.901 ( 4.558 0.000 1.928) 4.949 4.029 ( -2.556 0.000 -0.728) 2.658 4.105 ( 1.630 0.000 0.227) 1.646 4.116 ( -5.837 0.000 2.312) 6.278 4.201 ( 2.838 0.000 1.153) 3.063 4.237 ( 0.393 0.000 -2.826) 2.854 4.247 ( 1.573 0.000 -0.153) 1.580 4.299 ( 3.196 0.000 5.922) 6.730 4.326 ( 3.786 0.000 0.014) 3.786 4.384 ( 4.704 0.000 3.478) 5.850 4.432 ( 5.066 0.000 -3.540) 6.180 4.448 ( 4.796 0.000 -2.428) 5.376 4.498 ( 2.118 0.000 0.290) 2.138 4.575 ( 2.134 0.000 -3.029) 3.705 4.578 ( 8.590 0.000 -4.960) 9.919 4.636 ( 1.371 0.000 -4.122) 4.344 4.687 ( -1.483 0.000 1.235) 1.930 4.713 ( -2.890 0.000 3.675) 4.675 4.762 ( 0.926 0.000 -0.179) 0.943 4.782 ( -3.735 0.000 1.032) 3.875 4.792 ( 2.245 0.000 0.281) 2.263 4.834 ( -2.558 0.000 2.074) 3.293 4.911 ( 4.045 0.000 2.663) 4.843 4.916 ( 3.874 0.000 1.985) 4.353 4.963 ( 3.204 0.000 0.781) 3.298 5.235 ( 1.168 0.000 -0.560) 1.295 5.247 ( 0.593 0.000 -1.167) 1.309 5.280 ( 0.739 0.000 0.267) 0.786 5.319 ( 1.539 0.000 -0.022) 1.539 5.539 ( 2.132 0.000 0.956) 2.336 5.567 ( 0.763 0.000 0.086) 0.768 5.583 ( 0.262 0.000 -1.702) 1.722 5.602 ( -0.272 0.000 -1.040) 1.075 6.461 ( -0.314 0.000 1.841) 1.868 6.498 ( 1.185 0.000 3.390) 3.591 6.518 ( -0.576 0.000 0.165) 0.599 6.555 ( 0.018 0.000 0.110) 0.112 6.687 ( 1.011 0.000 4.104) 4.227 6.696 ( 0.319 0.000 4.698) 4.708 6.813 ( 0.910 0.000 0.009) 0.910 6.885 ( 3.117 0.000 0.417) 3.145 7.012 ( -1.071 0.000 5.382) 5.488 7.063 ( 0.189 0.000 5.681) 5.684 7.299 ( -0.231 0.000 -2.979) 2.988 7.335 ( 1.479 0.000 -0.568) 1.584 7.418 ( -1.106 0.000 -2.548) 2.778 7.469 ( -1.502 0.000 -7.700) 7.845 7.531 ( -3.321 0.000 -4.976) 5.983 7.570 ( -2.708 0.000 -6.263) 6.824 7.958 ( -0.496 0.000 2.776) 2.820 7.990 ( -0.378 0.000 2.916) 2.940 8.088 ( 0.680 0.000 -0.678) 0.960 8.099 ( 0.491 0.000 -0.881) 1.009 ======================= Grid point 47 (28/50) ======================= q-point: (-0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -12.800 0.000 8.141) 15.170 0.915 ( -13.240 0.000 10.287) 16.767 1.590 ( 6.276 0.000 -4.209) 7.557 1.600 ( 2.765 0.000 -4.188) 5.019 1.716 ( -0.605 0.000 -0.052) 0.607 1.751 ( -2.109 0.000 11.736) 11.924 1.810 ( -12.136 0.000 -0.748) 12.159 1.827 ( -3.583 0.000 6.596) 7.506 1.901 ( -2.247 0.000 4.019) 4.604 1.904 ( -0.401 0.000 0.313) 0.509 2.003 ( -3.249 0.000 8.891) 9.466 2.087 ( 7.696 0.000 -1.673) 7.876 2.099 ( 0.416 0.000 -2.261) 2.299 2.150 ( 0.934 0.000 -3.100) 3.237 2.155 ( 5.752 0.000 -10.043) 11.574 2.199 ( 9.401 0.000 5.879) 11.088 2.221 ( 6.212 0.000 4.510) 7.676 2.303 ( 8.185 0.000 -5.386) 9.798 2.326 ( 10.093 0.000 -3.821) 10.792 2.340 ( 10.195 0.000 -3.671) 10.835 2.374 ( -5.969 0.000 -6.121) 8.550 2.396 ( 5.341 0.000 -3.861) 6.591 2.419 ( 12.744 0.000 -11.728) 17.320 2.526 ( 2.471 0.000 -5.593) 6.114 2.534 ( 6.685 0.000 -0.151) 6.687 2.564 ( -1.515 0.000 -0.451) 1.581 2.584 ( -7.061 0.000 -0.652) 7.091 2.617 ( 3.174 0.000 -6.496) 7.230 2.662 ( 0.539 0.000 -5.774) 5.799 2.687 ( 12.485 0.000 4.940) 13.427 2.703 ( -3.030 0.000 1.718) 3.483 2.735 ( -10.676 0.000 3.477) 11.228 2.796 ( -12.978 0.000 9.700) 16.202 2.844 ( -1.951 0.000 1.909) 2.730 2.857 ( -8.142 0.000 3.209) 8.751 2.923 ( -4.278 0.000 -3.606) 5.595 2.958 ( 0.271 0.000 1.455) 1.480 2.970 ( -2.861 0.000 -1.161) 3.087 2.976 ( 0.687 0.000 1.806) 1.932 3.055 ( -9.285 0.000 5.403) 10.742 3.094 ( -0.544 0.000 -3.760) 3.799 3.111 ( -3.503 0.000 -2.923) 4.563 3.122 ( -0.997 0.000 -1.413) 1.729 3.131 ( 1.749 0.000 4.761) 5.072 3.166 ( -4.614 0.000 7.408) 8.727 3.271 ( -0.805 0.000 9.235) 9.270 3.289 ( -1.974 0.000 1.693) 2.601 3.456 ( -2.094 0.000 -1.022) 2.330 3.477 ( -1.747 0.000 -0.865) 1.950 3.590 ( -2.794 0.000 1.328) 3.093 3.641 ( 2.458 0.000 -2.495) 3.502 3.731 ( 0.302 0.000 1.688) 1.715 3.779 ( 0.318 0.000 -0.091) 0.331 3.830 ( 0.122 0.000 1.274) 1.280 3.860 ( 2.966 0.000 0.473) 3.004 3.911 ( -5.995 0.000 -2.765) 6.602 4.010 ( -6.381 0.000 2.100) 6.718 4.012 ( 1.672 0.000 -0.397) 1.719 4.188 ( 4.008 0.000 -0.524) 4.042 4.211 ( -0.686 0.000 -1.935) 2.053 4.246 ( 0.870 0.000 -0.282) 0.914 4.264 ( 1.896 0.000 0.052) 1.897 4.351 ( -1.341 0.000 1.702) 2.167 4.365 ( 2.201 0.000 -1.844) 2.871 4.436 ( -0.537 0.000 -3.775) 3.813 4.470 ( 0.911 0.000 1.947) 2.149 4.504 ( 1.048 0.000 0.295) 1.089 4.527 ( 0.528 0.000 0.250) 0.584 4.580 ( 0.744 0.000 -1.992) 2.126 4.606 ( -4.557 0.000 4.285) 6.255 4.652 ( 0.359 0.000 0.937) 1.003 4.689 ( -1.303 0.000 -2.029) 2.411 4.691 ( -1.692 0.000 0.877) 1.906 4.715 ( -2.027 0.000 0.701) 2.144 4.740 ( 4.110 0.000 -4.472) 6.073 4.809 ( -1.085 0.000 1.447) 1.808 4.864 ( 3.467 0.000 -4.948) 6.042 4.972 ( 1.738 0.000 -1.174) 2.097 4.976 ( 1.935 0.000 -0.482) 1.994 5.031 ( 3.666 0.000 -2.405) 4.385 5.247 ( 0.325 0.000 -1.622) 1.654 5.250 ( 0.919 0.000 -0.344) 0.981 5.282 ( -0.403 0.000 -0.388) 0.559 5.339 ( 0.762 0.000 -1.682) 1.847 5.565 ( -0.184 0.000 -1.924) 1.933 5.576 ( 0.573 0.000 -1.005) 1.157 5.586 ( 1.670 0.000 0.987) 1.940 5.598 ( 0.120 0.000 -0.861) 0.869 6.458 ( -1.106 0.000 1.311) 1.715 6.502 ( -0.757 0.000 -0.273) 0.805 6.562 ( 0.920 0.000 -0.411) 1.007 6.569 ( 2.490 0.000 2.161) 3.297 6.734 ( 1.594 0.000 3.834) 4.152 6.769 ( 3.422 0.000 4.104) 5.344 6.830 ( 0.443 0.000 -0.187) 0.481 6.927 ( 0.985 0.000 -1.878) 2.121 7.023 ( -1.504 0.000 4.384) 4.635 7.091 ( -1.553 0.000 4.353) 4.622 7.257 ( -1.606 0.000 -3.188) 3.570 7.322 ( -2.584 0.000 -7.250) 7.697 7.422 ( 1.774 0.000 2.603) 3.150 7.426 ( 2.456 0.000 3.151) 3.995 7.449 ( -1.482 0.000 -2.664) 3.048 7.489 ( -1.059 0.000 -4.237) 4.368 7.967 ( -0.698 0.000 2.461) 2.558 8.003 ( -0.552 0.000 2.632) 2.689 8.092 ( 0.436 0.000 -1.090) 1.174 8.100 ( 0.359 0.000 -1.094) 1.152 ======================= Grid point 48 (29/50) ======================= q-point: (-0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -2.321 0.000 22.825) 22.943 0.901 ( 4.432 0.000 27.391) 27.748 1.503 ( -10.758 0.000 -3.719) 11.382 1.542 ( -9.599 0.000 -0.126) 9.600 1.587 ( -14.577 0.000 13.001) 19.533 1.680 ( -18.982 0.000 19.546) 27.246 1.755 ( -4.616 0.000 9.909) 10.931 1.810 ( -1.081 0.000 9.092) 9.157 1.840 ( 4.361 0.000 12.134) 12.894 1.976 ( 1.343 0.000 -2.338) 2.696 2.029 ( -1.040 0.000 -7.149) 7.224 2.042 ( 3.877 0.000 -3.377) 5.142 2.148 ( 5.135 0.000 -2.502) 5.712 2.182 ( -1.544 0.000 -1.095) 1.892 2.220 ( 5.296 0.000 -7.618) 9.278 2.255 ( -5.829 0.000 -4.833) 7.572 2.308 ( 4.660 0.000 7.972) 9.234 2.311 ( -4.279 0.000 -3.689) 5.650 2.393 ( 5.249 0.000 4.899) 7.180 2.436 ( -0.394 0.000 1.011) 1.085 2.453 ( 2.001 0.000 10.317) 10.509 2.512 ( 3.721 0.000 -0.103) 3.723 2.541 ( -2.599 0.000 -4.160) 4.905 2.551 ( -2.474 0.000 -0.490) 2.522 2.590 ( -3.067 0.000 0.739) 3.155 2.602 ( 5.550 0.000 -5.585) 7.874 2.608 ( 10.669 0.000 -0.698) 10.692 2.643 ( 8.323 0.000 -10.562) 13.447 2.661 ( 1.423 0.000 1.591) 2.135 2.700 ( 6.490 0.000 -1.501) 6.661 2.716 ( 6.060 0.000 -6.127) 8.618 2.759 ( 7.563 0.000 -4.168) 8.635 2.763 ( 3.153 0.000 -6.195) 6.951 2.815 ( -0.012 0.000 -0.661) 0.661 2.844 ( 2.266 0.000 3.040) 3.791 2.864 ( 1.867 0.000 -0.715) 1.999 2.935 ( -1.551 0.000 1.308) 2.029 2.964 ( -3.238 0.000 0.413) 3.264 2.968 ( -3.381 0.000 0.207) 3.387 2.990 ( -0.254 0.000 1.186) 1.213 3.007 ( 0.554 0.000 3.359) 3.404 3.079 ( -1.675 0.000 -2.676) 3.157 3.079 ( -1.223 0.000 -1.781) 2.160 3.171 ( 5.122 0.000 3.460) 6.181 3.190 ( 9.731 0.000 5.808) 11.332 3.321 ( 0.370 0.000 4.823) 4.837 3.399 ( 0.985 0.000 4.023) 4.142 3.486 ( 1.797 0.000 4.261) 4.624 3.493 ( 5.053 0.000 -1.403) 5.244 3.578 ( 1.690 0.000 1.989) 2.610 3.667 ( -0.688 0.000 -3.760) 3.823 3.769 ( 4.003 0.000 0.405) 4.023 3.796 ( 1.311 0.000 -2.096) 2.472 3.818 ( -0.791 0.000 0.716) 1.067 3.900 ( 0.447 0.000 3.002) 3.035 3.902 ( 3.069 0.000 5.501) 6.300 3.938 ( -1.582 0.000 3.111) 3.490 3.968 ( -1.758 0.000 -3.190) 3.642 4.170 ( -1.865 0.000 -2.492) 3.113 4.206 ( -2.013 0.000 -1.229) 2.359 4.226 ( -2.127 0.000 -2.487) 3.273 4.273 ( -2.881 0.000 -3.696) 4.686 4.300 ( -2.246 0.000 -2.437) 3.315 4.389 ( 1.668 0.000 -4.375) 4.682 4.394 ( -1.195 0.000 1.965) 2.300 4.446 ( -3.765 0.000 2.704) 4.635 4.503 ( -4.744 0.000 3.045) 5.637 4.516 ( 0.076 0.000 2.005) 2.006 4.553 ( -3.483 0.000 2.408) 4.234 4.562 ( -4.861 0.000 1.834) 5.195 4.624 ( -1.226 0.000 -0.108) 1.230 4.638 ( -3.847 0.000 3.311) 5.075 4.645 ( -2.275 0.000 0.812) 2.416 4.709 ( 0.248 0.000 -2.410) 2.423 4.786 ( 3.037 0.000 -6.316) 7.008 4.834 ( 3.831 0.000 -2.754) 4.719 4.873 ( 2.571 0.000 -4.734) 5.387 4.965 ( -0.439 0.000 -4.428) 4.450 4.975 ( -0.934 0.000 -2.476) 2.647 5.025 ( -1.336 0.000 -5.096) 5.269 5.233 ( -0.242 0.000 -1.839) 1.855 5.260 ( -0.967 0.000 0.365) 1.033 5.267 ( 0.021 0.000 -0.716) 0.716 5.322 ( -0.362 0.000 -2.522) 2.548 5.555 ( 0.381 0.000 -1.394) 1.445 5.574 ( 0.290 0.000 -1.555) 1.582 5.588 ( -0.260 0.000 -1.024) 1.057 5.612 ( 0.413 0.000 0.302) 0.512 6.440 ( -1.211 0.000 0.080) 1.213 6.489 ( -0.478 0.000 -0.531) 0.714 6.564 ( -2.139 0.000 -3.310) 3.941 6.567 ( -0.037 0.000 -2.024) 2.024 6.797 ( 0.565 0.000 3.674) 3.717 6.823 ( -0.503 0.000 -0.158) 0.528 6.849 ( 0.677 0.000 1.754) 1.880 6.907 ( -0.742 0.000 -1.896) 2.036 7.020 ( -1.934 0.000 3.120) 3.671 7.068 ( -3.287 0.000 2.580) 4.179 7.208 ( 0.223 0.000 -3.150) 3.158 7.226 ( -1.118 0.000 -4.078) 4.228 7.417 ( 0.615 0.000 -1.115) 1.273 7.459 ( 1.484 0.000 -2.082) 2.557 7.541 ( 4.774 0.000 6.917) 8.405 7.587 ( 8.104 0.000 5.849) 9.994 7.968 ( -0.880 0.000 1.990) 2.176 8.010 ( -0.582 0.000 2.521) 2.587 8.088 ( 0.259 0.000 -1.697) 1.717 8.099 ( 0.318 0.000 -0.791) 0.853 ======================= Grid point 49 (30/50) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 4.879 -4.017 23.191) 24.037 1.065 ( -2.735 -11.108 11.430) 16.171 1.232 ( -14.723 5.005 25.187) 29.600 1.348 ( -16.916 -7.699 20.880) 27.953 1.621 ( -9.397 11.380 2.875) 15.036 1.752 ( -7.067 12.365 5.477) 15.259 1.778 ( -4.615 -1.197 0.832) 4.840 1.833 ( 2.282 14.121 20.288) 24.823 1.938 ( -2.935 -3.922 3.186) 5.843 1.979 ( 3.002 1.435 -0.898) 3.447 2.036 ( 0.195 -1.015 0.815) 1.316 2.065 ( 1.830 -1.432 3.528) 4.224 2.102 ( -1.479 -0.695 -8.928) 9.076 2.192 ( 4.811 1.741 4.519) 6.826 2.226 ( -7.419 4.174 1.352) 8.619 2.260 ( -5.225 -3.858 -4.169) 7.718 2.271 ( 2.534 -1.091 1.694) 3.237 2.293 ( 2.938 -9.738 8.078) 12.989 2.326 ( -4.751 -3.624 -2.189) 6.364 2.366 ( -0.908 -8.468 3.202) 9.098 2.390 ( -2.375 1.686 -0.655) 2.986 2.463 ( -2.597 -0.178 1.878) 3.210 2.499 ( 1.317 -1.681 -3.564) 4.155 2.529 ( -5.867 -1.823 -0.476) 6.162 2.566 ( 1.877 -0.754 -1.535) 2.539 2.579 ( 1.845 -0.862 -0.723) 2.161 2.609 ( 1.795 0.772 -2.608) 3.259 2.612 ( -0.565 0.827 -0.888) 1.339 2.632 ( -0.899 -1.670 0.290) 1.919 2.706 ( 3.011 -5.797 -3.840) 7.578 2.789 ( 4.621 3.716 -0.009) 5.930 2.841 ( 5.213 -1.049 0.206) 5.322 2.867 ( 0.721 1.115 -2.526) 2.854 2.881 ( -1.280 -0.174 -0.990) 1.627 2.925 ( 3.441 1.716 -1.612) 4.169 2.964 ( 5.155 1.334 3.005) 6.114 2.972 ( 7.231 -2.330 -4.427) 8.793 3.023 ( 2.350 -1.757 0.386) 2.959 3.073 ( 3.386 2.967 -2.142) 4.985 3.079 ( 10.411 3.309 -2.271) 11.158 3.120 ( 7.545 0.363 -5.242) 9.195 3.140 ( 8.474 -0.431 -4.027) 9.392 3.289 ( 5.185 8.754 6.746) 12.207 3.337 ( 3.236 6.035 2.367) 7.245 3.363 ( 4.640 1.665 4.711) 6.819 3.400 ( 8.994 -1.424 -0.143) 9.107 3.489 ( 4.655 -4.866 2.018) 7.030 3.544 ( 2.272 4.530 2.285) 5.559 3.601 ( 2.789 2.119 -4.197) 5.467 3.642 ( 7.774 2.568 -2.459) 8.548 3.679 ( 2.311 1.384 1.374) 3.024 3.722 ( 2.261 -9.259 3.303) 10.087 3.759 ( 2.566 -5.201 -0.040) 5.799 3.772 ( 2.752 -4.283 -2.812) 5.816 3.861 ( -0.216 3.075 -4.272) 5.268 3.934 ( 1.106 -4.309 -2.261) 4.990 4.045 ( 1.989 2.260 2.346) 3.816 4.071 ( 1.265 2.489 1.975) 3.420 4.090 ( -1.027 -2.636 0.356) 2.852 4.126 ( -2.427 -1.959 -0.615) 3.180 4.171 ( -1.921 1.518 -0.435) 2.487 4.191 ( -1.367 1.942 -2.471) 3.427 4.245 ( -2.958 1.479 -2.110) 3.923 4.294 ( -2.945 -2.058 -1.738) 3.991 4.398 ( -6.447 1.923 1.905) 6.992 4.412 ( -5.589 0.313 3.657) 6.686 4.432 ( -6.507 1.719 4.188) 7.927 4.469 ( -5.827 -1.484 3.756) 7.090 4.491 ( -2.855 1.608 1.010) 3.429 4.536 ( -4.484 -2.230 0.143) 5.010 4.571 ( 0.194 1.394 1.198) 1.848 4.597 ( -1.688 -1.089 1.025) 2.255 4.650 ( 0.300 1.906 -3.389) 3.900 4.679 ( -0.211 -0.868 -3.173) 3.296 4.783 ( -2.373 3.157 -5.407) 6.695 4.849 ( -2.856 -3.269 -4.831) 6.494 4.889 ( 3.265 0.529 -3.764) 5.011 4.901 ( 2.803 -0.656 -4.963) 5.738 4.916 ( -2.302 0.209 -2.859) 3.676 4.926 ( -2.541 -0.656 -3.480) 4.358 5.231 ( -1.557 0.546 0.416) 1.702 5.240 ( -1.004 0.042 0.516) 1.130 5.258 ( -0.537 1.319 -0.925) 1.698 5.290 ( 0.088 -1.568 -1.185) 1.967 5.561 ( 0.755 0.030 -0.812) 1.109 5.562 ( 0.302 -0.088 -1.073) 1.119 5.590 ( -0.138 0.732 -0.486) 0.890 5.602 ( -0.565 -0.531 -0.506) 0.926 6.431 ( -0.474 0.851 -0.579) 1.134 6.452 ( -0.956 -1.380 -0.862) 1.887 6.504 ( -1.637 1.076 -2.836) 3.447 6.520 ( -1.469 -0.690 -3.087) 3.488 6.793 ( -3.919 0.606 2.255) 4.561 6.805 ( -4.440 -0.556 1.989) 4.897 6.841 ( 0.026 1.549 0.378) 1.595 6.871 ( -0.338 -1.413 -0.596) 1.570 7.005 ( -2.624 0.412 2.967) 3.982 7.015 ( -3.242 -0.498 2.645) 4.214 7.221 ( 2.453 0.452 -2.213) 3.335 7.230 ( 3.313 -0.530 -2.668) 4.286 7.454 ( 2.378 1.203 -0.418) 2.697 7.479 ( 2.845 -1.318 -1.124) 3.331 7.687 ( 3.650 1.881 3.962) 5.706 7.724 ( 4.427 -1.896 1.681) 5.100 7.971 ( -1.250 1.017 1.925) 2.510 7.998 ( -0.915 -1.817 2.211) 3.004 8.088 ( 0.256 0.676 -1.194) 1.395 8.098 ( 0.249 -0.326 -0.633) 0.754 ======================= Grid point 50 (31/50) ======================= q-point: ( 0.14 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -5.725 2.738 20.536) 21.494 1.216 ( -0.248 -2.886 15.681) 15.946 1.245 ( -2.792 -0.502 19.406) 19.612 1.371 ( 9.985 -11.557 23.781) 28.263 1.508 ( -5.333 9.521 5.076) 12.035 1.575 ( -8.650 13.571 1.895) 16.205 1.671 ( -6.214 -7.722 2.260) 10.166 1.802 ( -7.701 -8.831 -4.433) 12.528 1.899 ( -3.998 5.991 -10.573) 12.793 2.005 ( -7.268 -3.097 -8.023) 11.260 2.050 ( -0.298 -1.081 -2.477) 2.719 2.065 ( -4.377 1.930 1.169) 4.925 2.094 ( 0.527 3.751 2.534) 4.557 2.125 ( -2.430 1.937 -4.783) 5.704 2.170 ( -1.757 -2.224 -1.223) 3.087 2.198 ( 3.950 -1.023 3.589) 5.434 2.225 ( -3.976 3.131 0.477) 5.083 2.268 ( -7.162 -4.010 1.028) 8.272 2.307 ( -0.461 -0.423 4.560) 4.602 2.353 ( -0.178 -2.220 -0.460) 2.274 2.385 ( 3.432 0.325 6.828) 7.649 2.468 ( 3.447 -0.519 -6.236) 7.144 2.493 ( -0.100 2.027 -2.664) 3.349 2.520 ( -4.062 0.343 0.940) 4.183 2.565 ( -1.348 0.076 1.189) 1.799 2.602 ( 2.168 -1.988 -1.266) 3.203 2.643 ( 3.512 2.400 -1.459) 4.496 2.665 ( 3.143 3.031 0.862) 4.451 2.704 ( 2.220 0.013 2.158) 3.096 2.764 ( 2.594 -3.304 1.339) 4.409 2.814 ( -0.489 4.969 0.477) 5.016 2.874 ( 2.081 -2.406 6.437) 7.180 2.894 ( -0.821 0.867 4.564) 4.718 2.917 ( 0.179 4.367 -0.078) 4.372 2.945 ( 1.450 -1.623 3.739) 4.326 3.014 ( 1.544 -1.600 -1.158) 2.507 3.044 ( 3.219 -2.524 3.028) 5.090 3.065 ( 0.505 -4.086 -2.869) 5.018 3.109 ( 1.741 -1.042 -0.845) 2.198 3.126 ( 2.945 -2.508 -2.217) 4.459 3.249 ( 6.036 2.095 -6.711) 9.266 3.277 ( 6.641 0.315 -2.041) 6.955 3.387 ( 3.362 0.874 -1.407) 3.748 3.411 ( 1.828 -1.424 -1.862) 2.972 3.466 ( 1.439 1.035 -0.935) 2.004 3.509 ( 1.857 -1.671 0.025) 2.499 3.545 ( 3.313 3.904 -6.301) 8.120 3.580 ( 3.749 1.815 -1.249) 4.349 3.688 ( 3.385 2.187 -0.501) 4.061 3.705 ( 3.833 -1.932 -3.226) 5.370 3.752 ( 3.139 2.848 -2.453) 4.897 3.781 ( 5.289 -1.575 -2.535) 6.073 3.847 ( 10.079 0.651 -5.215) 11.367 3.865 ( 7.574 -1.122 -3.070) 8.249 3.909 ( 8.117 -0.112 -1.931) 8.344 3.932 ( 2.698 -1.623 -5.158) 6.043 4.006 ( -6.749 -0.276 1.692) 6.963 4.046 ( -5.346 -4.410 2.863) 7.499 4.083 ( -1.207 1.148 1.529) 2.261 4.107 ( -1.115 -0.217 0.940) 1.474 4.151 ( 0.928 1.088 1.214) 1.876 4.163 ( -0.326 -0.890 0.540) 1.091 4.234 ( -3.612 4.248 -1.065) 5.677 4.273 ( -3.975 2.338 3.138) 5.578 4.279 ( 0.427 0.177 -1.649) 1.712 4.301 ( -6.767 -0.598 4.083) 7.926 4.349 ( -6.324 -0.577 8.096) 10.290 4.363 ( -7.603 -1.188 3.088) 8.292 4.457 ( -1.420 0.022 0.733) 1.598 4.480 ( -1.357 -1.925 0.238) 2.367 4.568 ( -1.713 0.621 0.208) 1.834 4.581 ( -0.066 -0.518 1.000) 1.128 4.625 ( -0.358 1.719 -0.768) 1.917 4.647 ( -0.538 -0.662 -1.088) 1.382 4.702 ( -1.585 2.948 -3.333) 4.724 4.765 ( -2.035 -3.390 -2.416) 4.634 4.874 ( -0.393 0.273 -0.960) 1.073 4.879 ( -0.709 -0.113 -1.090) 1.305 4.910 ( 1.519 0.126 -3.089) 3.445 4.913 ( 1.290 -0.145 -3.168) 3.424 5.204 ( -1.153 0.669 0.325) 1.372 5.219 ( -1.233 -0.803 0.711) 1.634 5.260 ( 0.747 1.673 -0.403) 1.876 5.290 ( 0.227 -1.340 -0.317) 1.396 5.551 ( -0.674 0.871 -1.309) 1.711 5.568 ( -0.045 -0.860 -1.204) 1.480 5.587 ( -0.068 0.291 -0.404) 0.502 5.592 ( 0.637 -0.252 0.054) 0.687 6.428 ( 0.416 0.442 -0.236) 0.652 6.439 ( 0.212 -0.693 -0.257) 0.769 6.472 ( 0.035 0.819 -1.245) 1.491 6.484 ( -0.087 -0.528 -1.600) 1.687 6.726 ( -4.714 0.340 2.997) 5.596 6.733 ( -4.721 -0.333 3.006) 5.606 6.843 ( -0.395 0.900 0.895) 1.330 6.861 ( -0.643 -0.879 0.322) 1.136 6.981 ( -2.333 0.062 2.942) 3.756 6.983 ( -2.177 -0.133 2.921) 3.645 7.257 ( 2.834 0.808 -2.269) 3.720 7.274 ( 3.167 -0.894 -2.729) 4.275 7.494 ( 2.355 1.338 -1.478) 3.086 7.522 ( 2.802 -1.403 -2.425) 3.963 7.741 ( 0.430 1.492 0.637) 1.678 7.769 ( 0.592 -1.286 -1.134) 1.814 7.959 ( -1.449 1.142 1.932) 2.671 7.988 ( -1.741 -1.879 1.927) 3.206 8.084 ( 0.089 0.848 -0.873) 1.221 8.096 ( -0.012 -0.485 -0.416) 0.639 ======================= Grid point 51 (32/50) ======================= q-point: ( 0.29 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 4.791 0.743 11.261) 12.260 1.270 ( 2.754 -0.708 6.996) 7.552 1.432 ( 1.695 6.853 5.705) 9.077 1.501 ( 0.562 5.372 4.574) 7.078 1.567 ( -3.604 -6.697 0.432) 7.618 1.601 ( 6.647 5.579 10.377) 13.527 1.646 ( 0.354 -6.255 -0.349) 6.275 1.736 ( -0.711 -1.540 -5.957) 6.193 1.795 ( -4.649 -3.223 -6.271) 8.446 1.808 ( 7.092 -6.262 9.317) 13.278 1.886 ( -8.187 -1.290 -7.187) 10.970 1.915 ( -6.077 -4.195 -5.675) 9.313 1.996 ( -3.554 8.110 -2.743) 9.270 2.100 ( -1.516 3.174 -0.637) 3.575 2.134 ( -0.585 -2.234 -4.128) 4.730 2.194 ( -0.518 1.575 -1.555) 2.273 2.249 ( -0.069 -2.841 1.970) 3.458 2.279 ( -3.523 -0.766 -1.809) 4.033 2.320 ( 1.718 1.515 3.082) 3.840 2.341 ( -0.205 -0.966 -0.367) 1.054 2.376 ( -3.597 5.790 -9.383) 11.598 2.407 ( -5.235 3.688 -3.241) 7.176 2.469 ( -3.187 -2.073 -3.415) 5.110 2.521 ( 4.026 2.389 0.113) 4.683 2.540 ( -1.202 -1.588 0.949) 2.207 2.577 ( -0.811 -6.955 -2.871) 7.568 2.620 ( 0.245 3.393 -2.227) 4.066 2.686 ( -2.072 -3.067 1.031) 3.842 2.743 ( 2.590 3.220 -2.683) 4.927 2.797 ( 0.250 1.823 -0.599) 1.936 2.844 ( -1.027 0.632 0.200) 1.222 2.866 ( -3.512 0.593 0.546) 3.604 2.943 ( 0.478 0.450 8.763) 8.787 2.952 ( -1.654 -1.461 0.655) 2.303 2.996 ( -1.934 -1.480 -2.294) 3.345 3.008 ( 1.650 -1.373 6.165) 6.528 3.078 ( 0.324 3.509 0.857) 3.627 3.091 ( -1.785 0.863 2.108) 2.894 3.133 ( 2.101 -3.604 -4.240) 5.948 3.140 ( 1.574 -0.359 -2.184) 2.716 3.279 ( 0.766 4.123 -0.549) 4.229 3.351 ( -0.618 -1.913 2.237) 3.008 3.399 ( -1.759 0.578 -1.677) 2.498 3.418 ( 5.694 0.472 -2.117) 6.093 3.474 ( 0.753 -3.552 1.061) 3.783 3.508 ( 2.121 -2.998 -2.724) 4.572 3.562 ( -0.832 0.093 -1.621) 1.824 3.588 ( -5.256 -2.803 -1.333) 6.104 3.637 ( -1.205 1.721 -4.884) 5.317 3.688 ( -4.129 -2.751 1.060) 5.073 3.739 ( -0.189 4.283 -5.368) 6.870 3.805 ( -3.657 -2.365 -8.111) 9.206 3.906 ( -5.027 4.781 0.717) 6.974 3.955 ( 5.592 1.877 -1.494) 6.085 3.973 ( -0.812 -1.541 0.112) 1.745 3.976 ( 4.114 -0.784 -4.293) 5.998 4.043 ( 0.543 1.382 1.919) 2.426 4.053 ( 6.759 2.088 0.973) 7.141 4.081 ( -2.221 1.988 -0.671) 3.055 4.115 ( -1.633 -1.453 1.612) 2.716 4.138 ( 0.994 -1.927 -2.030) 2.970 4.148 ( 3.402 -1.762 2.984) 4.856 4.175 ( 2.009 1.774 -0.320) 2.700 4.213 ( -0.678 -1.426 -0.597) 1.688 4.253 ( -3.552 2.594 3.391) 5.554 4.301 ( 5.335 1.326 -1.910) 5.820 4.309 ( -1.928 -0.570 3.045) 3.649 4.321 ( -0.255 -0.591 1.002) 1.190 4.455 ( -0.035 -1.452 0.835) 1.676 4.460 ( -0.028 -2.229 1.704) 2.806 4.573 ( 1.452 1.239 -0.325) 1.937 4.595 ( 1.248 -1.273 -0.123) 1.787 4.648 ( 1.784 1.315 5.186) 5.640 4.670 ( 1.829 -0.850 4.326) 4.773 4.709 ( 2.195 2.918 2.686) 4.533 4.760 ( 1.555 -2.336 1.709) 3.286 4.861 ( -1.143 0.148 0.305) 1.192 4.862 ( -1.225 0.012 0.341) 1.272 4.900 ( -0.494 -0.020 -1.794) 1.861 4.902 ( -0.405 -0.150 -1.933) 1.981 5.200 ( 0.594 0.719 -0.023) 0.934 5.216 ( 0.549 -0.865 0.273) 1.060 5.267 ( 0.271 1.284 -0.369) 1.363 5.289 ( 0.007 -0.947 -0.324) 1.001 5.525 ( -0.753 1.073 -1.151) 1.745 5.547 ( -0.673 -1.115 -1.001) 1.642 5.592 ( 0.616 0.768 -0.807) 1.273 5.606 ( 0.704 -0.688 -0.235) 1.012 6.437 ( 0.361 0.626 0.687) 0.997 6.451 ( 0.603 -0.817 0.805) 1.295 6.486 ( 1.482 0.682 0.517) 1.712 6.497 ( 1.538 -0.452 0.620) 1.719 6.673 ( -3.543 0.396 3.978) 5.342 6.681 ( -3.489 -0.396 4.032) 5.347 6.837 ( -1.075 0.585 0.954) 1.552 6.849 ( -1.165 -0.610 0.892) 1.589 6.971 ( -1.021 0.144 3.152) 3.316 6.975 ( -0.837 -0.181 3.153) 3.267 7.288 ( 2.339 0.809 -2.395) 3.444 7.305 ( 2.394 -0.887 -2.914) 3.874 7.510 ( 1.067 1.417 -3.377) 3.815 7.539 ( 1.633 -1.521 -4.401) 4.935 7.720 ( -1.871 1.167 -2.232) 3.138 7.741 ( -1.666 -0.978 -3.273) 3.801 7.949 ( -1.135 0.859 2.250) 2.662 7.970 ( -1.602 -1.237 2.310) 3.071 8.081 ( 0.294 0.736 -0.729) 1.077 8.092 ( 0.063 -0.476 -0.512) 0.702 ======================= Grid point 52 (33/50) ======================= q-point: (-0.57 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -1.170 0.220 -4.853) 4.997 1.427 ( -2.556 -5.457 -3.642) 7.041 1.461 ( 6.776 -0.722 -1.203) 6.919 1.485 ( 2.606 -3.850 0.007) 4.649 1.601 ( 5.534 0.913 5.068) 7.559 1.639 ( 5.268 -1.914 -1.784) 5.882 1.668 ( 3.722 1.009 -5.008) 6.321 1.696 ( 3.602 -2.314 -5.169) 6.712 1.736 ( 1.584 3.169 -4.827) 5.988 1.805 ( -0.551 -2.581 -3.994) 4.787 1.874 ( -0.805 8.581 -3.955) 9.483 2.003 ( -4.747 2.940 -3.543) 6.613 2.012 ( 10.025 9.463 8.565) 16.230 2.050 ( -0.920 1.367 -3.581) 3.942 2.086 ( 1.208 -0.301 1.427) 1.894 2.128 ( -1.023 5.646 -9.199) 10.842 2.195 ( -5.641 -2.508 -2.337) 6.601 2.227 ( 0.826 1.833 -2.920) 3.545 2.250 ( -1.379 3.115 -6.274) 7.139 2.314 ( 1.048 0.788 -3.347) 3.595 2.340 ( 1.993 -6.422 0.076) 6.724 2.385 ( 0.636 -5.616 2.005) 5.996 2.399 ( 1.286 -4.089 4.572) 6.267 2.467 ( 0.407 -4.039 -5.285) 6.665 2.574 ( -0.969 0.507 -0.708) 1.303 2.617 ( 1.839 -2.432 -0.117) 3.052 2.653 ( -2.351 0.237 1.758) 2.945 2.668 ( 0.452 -1.184 3.360) 3.591 2.704 ( -3.309 0.099 -3.343) 4.705 2.758 ( -3.736 -0.545 -0.977) 3.899 2.792 ( -1.274 -2.788 2.289) 3.826 2.828 ( -3.683 -3.878 -4.565) 7.032 2.854 ( -2.765 1.243 1.296) 3.297 2.900 ( -3.757 -3.176 2.248) 5.409 2.959 ( -3.390 1.184 1.648) 3.951 3.002 ( -2.590 -1.838 -3.275) 4.562 3.038 ( -4.190 5.138 -1.522) 6.803 3.093 ( -3.366 1.047 0.879) 3.633 3.119 ( 0.074 3.019 -3.152) 4.365 3.147 ( -0.203 -1.890 -0.356) 1.934 3.248 ( -10.062 1.356 4.081) 10.942 3.254 ( -10.496 -0.875 2.962) 10.941 3.338 ( -3.230 6.654 -0.231) 7.400 3.388 ( -6.146 2.292 -0.803) 6.609 3.470 ( -4.263 -1.327 -0.138) 4.467 3.508 ( -4.116 0.684 3.182) 5.247 3.523 ( 4.375 -0.359 0.270) 4.398 3.567 ( -2.856 3.318 -4.221) 6.081 3.601 ( 0.229 -1.145 -0.199) 1.185 3.650 ( 0.217 -2.414 -1.403) 2.800 3.686 ( 0.336 1.189 -1.385) 1.856 3.717 ( -3.669 -0.101 -6.588) 7.541 3.792 ( -3.294 0.510 6.128) 6.975 3.873 ( -5.624 -5.592 -1.463) 8.065 3.938 ( -5.877 3.806 1.534) 7.168 3.961 ( -4.587 1.539 -2.608) 5.496 4.008 ( -2.660 -2.371 -0.406) 3.587 4.033 ( 1.217 -4.490 1.764) 4.976 4.143 ( 2.463 -0.022 -2.621) 3.597 4.146 ( 3.118 0.713 0.975) 3.344 4.167 ( 1.349 0.411 4.031) 4.271 4.193 ( -1.887 -3.073 -1.369) 3.857 4.255 ( 4.540 2.017 -0.542) 4.997 4.282 ( 4.312 0.135 0.169) 4.318 4.293 ( 5.904 2.247 3.418) 7.182 4.328 ( 5.723 -1.327 -1.310) 6.019 4.387 ( 4.743 3.419 0.707) 5.890 4.440 ( 7.560 -1.957 -2.604) 8.232 4.466 ( 3.931 3.550 -1.288) 5.451 4.538 ( 5.689 -3.072 -0.646) 6.497 4.593 ( 2.176 0.325 -1.655) 2.753 4.613 ( 1.341 -1.898 -1.867) 2.981 4.732 ( 0.916 1.521 5.247) 5.540 4.750 ( 0.735 -0.124 4.044) 4.112 4.788 ( 2.922 0.386 3.440) 4.530 4.802 ( -0.092 -0.919 1.740) 1.970 4.838 ( -1.210 0.676 0.828) 1.615 4.846 ( -0.344 0.083 2.017) 2.047 4.877 ( -1.047 0.429 0.925) 1.461 4.891 ( 0.896 -0.990 1.808) 2.248 5.218 ( 1.211 0.593 -0.299) 1.381 5.234 ( 0.945 -0.987 -0.233) 1.387 5.272 ( 0.801 1.316 -0.197) 1.553 5.292 ( 0.664 -0.734 -0.133) 0.998 5.517 ( 0.640 1.040 -0.200) 1.238 5.539 ( 0.450 -1.238 -0.179) 1.329 5.594 ( 0.413 0.920 -1.007) 1.425 5.610 ( 0.126 -0.687 -0.932) 1.164 6.451 ( 0.095 0.666 1.622) 1.756 6.466 ( -0.073 -0.941 1.630) 1.884 6.521 ( 1.106 0.886 1.143) 1.820 6.535 ( 1.184 -0.604 1.376) 1.913 6.658 ( -1.369 0.397 4.554) 4.772 6.666 ( -1.460 -0.452 4.641) 4.886 6.821 ( -0.507 0.861 -0.013) 1.000 6.838 ( 0.049 -0.798 0.309) 0.858 6.991 ( -0.158 0.597 4.805) 4.844 7.004 ( 0.456 -0.654 4.876) 4.941 7.308 ( 1.584 0.578 -2.160) 2.740 7.320 ( 1.397 -0.580 -2.563) 2.976 7.482 ( -0.673 1.467 -4.706) 4.975 7.514 ( -0.108 -1.796 -6.000) 6.264 7.645 ( -3.005 1.099 -4.778) 5.750 7.663 ( -2.870 -0.771 -5.414) 6.176 7.952 ( -0.561 0.685 2.723) 2.864 7.968 ( -0.686 -0.896 2.800) 3.019 8.085 ( 0.610 0.522 -0.599) 1.002 8.093 ( 0.436 -0.345 -0.597) 0.815 ======================= Grid point 53 (34/50) ======================= q-point: (-0.43 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -13.340 5.709 1.860) 14.629 1.343 ( -5.902 -14.014 7.066) 16.767 1.428 ( -12.756 14.704 -9.857) 21.819 1.539 ( 4.402 -0.176 -9.158) 10.162 1.650 ( 7.163 -2.512 -5.012) 9.096 1.732 ( 4.735 2.768 -7.661) 9.422 1.779 ( 8.158 -0.198 2.698) 8.595 1.798 ( -0.596 -6.027 -1.543) 6.250 1.823 ( 3.258 -3.093 -2.359) 5.074 1.894 ( 9.590 0.096 -0.424) 9.600 1.922 ( 13.466 -0.644 -5.954) 14.738 1.974 ( 5.689 3.109 -2.556) 6.969 1.993 ( 6.373 -3.710 0.973) 7.438 2.047 ( 3.407 -0.045 -1.547) 3.742 2.060 ( 1.517 2.706 -1.921) 3.649 2.149 ( 1.493 -2.936 -9.674) 10.219 2.161 ( 2.488 3.331 -2.853) 5.043 2.241 ( 6.600 2.461 -8.763) 11.244 2.274 ( 4.516 1.830 -9.781) 10.928 2.317 ( 0.997 -0.373 -3.857) 4.001 2.390 ( -6.008 0.490 4.244) 7.372 2.401 ( -0.467 1.689 -1.996) 2.656 2.458 ( 1.331 4.368 3.015) 5.471 2.491 ( 3.940 5.564 1.365) 6.953 2.537 ( -7.354 -1.703 -0.448) 7.562 2.593 ( -2.593 -5.081 7.003) 9.033 2.601 ( -2.403 -3.183 5.902) 7.123 2.633 ( -1.785 1.752 1.076) 2.723 2.684 ( -1.758 -1.969 1.015) 2.828 2.695 ( -2.767 -7.526 0.638) 8.043 2.733 ( -0.859 -1.739 1.776) 2.630 2.756 ( -0.192 -6.735 5.652) 8.795 2.857 ( -2.862 2.583 -4.000) 5.555 2.870 ( -7.115 3.608 2.374) 8.323 2.903 ( -0.855 -1.589 2.172) 2.824 2.942 ( -1.982 -1.187 -0.545) 2.374 2.985 ( -3.843 -0.386 1.213) 4.048 3.028 ( -5.122 3.300 4.381) 7.504 3.049 ( -2.866 -1.740 1.007) 3.500 3.082 ( -6.114 -2.801 -0.477) 6.742 3.105 ( -0.926 1.061 -0.030) 1.409 3.134 ( -3.080 0.127 1.621) 3.483 3.210 ( -4.352 4.667 -0.548) 6.404 3.268 ( -6.098 -0.654 -2.733) 6.714 3.381 ( -9.461 4.501 3.958) 11.200 3.397 ( -8.585 12.156 -2.327) 15.063 3.448 ( -4.520 1.125 -0.914) 4.747 3.515 ( -7.476 0.706 -0.445) 7.522 3.572 ( -3.289 -1.100 -7.423) 8.193 3.579 ( -2.021 -5.742 -2.280) 6.500 3.619 ( 1.515 -2.747 1.507) 3.480 3.676 ( -2.655 -7.235 -4.063) 8.712 3.743 ( -7.632 3.403 4.636) 9.556 3.820 ( -3.581 -2.547 1.634) 4.688 3.890 ( 1.206 2.058 1.584) 2.863 3.967 ( 3.634 5.912 2.810) 7.487 3.991 ( 0.813 -5.053 -0.323) 5.129 4.047 ( 0.988 -1.432 1.055) 2.034 4.157 ( -0.282 1.313 2.949) 3.240 4.200 ( 5.091 -0.911 2.489) 5.739 4.227 ( 2.848 -1.471 0.730) 3.288 4.254 ( 2.142 -1.432 0.380) 2.604 4.281 ( -1.530 2.031 -2.246) 3.392 4.304 ( 2.033 -1.270 -2.464) 3.438 4.419 ( 4.377 1.751 2.126) 5.171 4.434 ( 4.843 -0.161 -1.391) 5.041 4.469 ( 3.712 1.971 -1.476) 4.454 4.495 ( 2.602 -0.499 0.274) 2.664 4.578 ( 1.735 0.357 -3.283) 3.730 4.592 ( 5.435 0.055 -4.363) 6.970 4.625 ( 3.756 0.905 -3.085) 4.944 4.673 ( 4.980 -2.389 -2.809) 6.196 4.723 ( -2.822 0.692 3.009) 4.182 4.734 ( -3.361 -1.150 3.108) 4.720 4.775 ( -3.412 0.604 1.593) 3.814 4.792 ( -2.791 -0.854 1.194) 3.153 4.871 ( 2.081 2.317 0.973) 3.263 4.899 ( 3.997 -0.960 1.539) 4.389 4.928 ( 3.280 0.937 2.022) 3.965 4.950 ( 3.110 -1.278 1.182) 3.564 5.237 ( 0.948 0.423 -0.196) 1.056 5.247 ( 0.844 -0.415 -0.349) 1.003 5.290 ( 0.991 1.173 -0.405) 1.588 5.312 ( 1.370 -0.872 -0.317) 1.655 5.545 ( 1.810 0.551 0.691) 2.014 5.557 ( 1.169 -0.752 0.174) 1.401 5.591 ( 0.087 0.565 -1.393) 1.506 5.599 ( -0.146 -0.312 -1.150) 1.200 6.464 ( -0.289 0.448 2.014) 2.083 6.479 ( 0.052 -1.163 2.424) 2.689 6.537 ( 0.246 1.112 0.626) 1.300 6.551 ( 0.148 -0.476 0.265) 0.565 6.687 ( 0.758 0.079 4.207) 4.275 6.691 ( 0.462 -0.356 4.508) 4.545 6.834 ( 1.643 1.989 0.206) 2.588 6.870 ( 2.718 -1.613 0.368) 3.182 7.024 ( -0.780 1.208 5.442) 5.629 7.050 ( -0.164 -1.325 5.578) 5.736 7.310 ( 0.287 1.060 -2.385) 2.626 7.329 ( 1.159 -0.758 -1.153) 1.802 7.426 ( -1.379 0.875 -3.434) 3.803 7.449 ( -1.709 -1.555 -5.777) 6.222 7.546 ( -2.959 1.147 -5.861) 6.665 7.563 ( -2.756 -0.693 -6.236) 6.854 7.965 ( -0.474 0.698 2.797) 2.921 7.980 ( -0.413 -0.900 2.854) 3.021 8.092 ( 0.637 0.373 -0.696) 1.015 8.098 ( 0.544 -0.197 -0.809) 0.994 ======================= Grid point 54 (35/50) ======================= q-point: (-0.29 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -9.291 16.354 7.690) 20.320 1.112 ( -11.313 18.837 7.055) 23.078 1.344 ( -5.237 -21.343 5.204) 22.584 1.489 ( -7.516 -18.972 4.437) 20.883 1.656 ( 5.569 4.090 -0.914) 6.969 1.729 ( 0.019 9.982 -3.533) 10.588 1.780 ( 7.012 -6.809 0.433) 9.784 1.893 ( -3.885 -1.480 2.022) 4.623 1.972 ( 4.306 4.744 2.145) 6.756 1.993 ( 5.967 -1.558 -1.724) 6.404 2.027 ( -2.675 -3.105 -0.804) 4.177 2.074 ( -12.087 2.011 10.836) 16.357 2.096 ( 1.864 -0.485 -0.024) 1.926 2.118 ( 3.824 0.675 -1.698) 4.238 2.160 ( -0.776 -0.094 -3.733) 3.814 2.177 ( -0.235 -2.167 1.603) 2.706 2.222 ( 1.608 1.594 6.028) 6.439 2.248 ( 8.741 3.258 -1.507) 9.450 2.286 ( 16.707 -1.832 -8.443) 18.808 2.342 ( 6.690 -1.980 -6.591) 9.598 2.382 ( 1.257 2.472 -6.986) 7.516 2.403 ( 11.329 0.779 -8.533) 14.205 2.460 ( 2.359 1.294 -3.845) 4.693 2.478 ( 9.606 -4.977 -4.632) 11.768 2.501 ( 4.491 0.487 -4.174) 6.150 2.526 ( -2.718 -5.037 -1.109) 5.830 2.624 ( -1.901 -0.645 2.123) 2.922 2.645 ( -6.356 -1.544 1.926) 6.819 2.673 ( 0.096 2.190 3.069) 3.772 2.693 ( -5.112 6.305 1.168) 8.200 2.759 ( 0.088 3.601 0.274) 3.613 2.792 ( -0.153 -3.500 -1.219) 3.709 2.798 ( -0.437 3.097 -2.085) 3.759 2.816 ( -2.060 0.689 3.632) 4.232 2.842 ( 1.186 -3.243 0.514) 3.492 2.887 ( 1.012 -0.537 3.248) 3.444 2.926 ( -4.234 0.728 -2.411) 4.927 2.967 ( -4.283 -0.082 3.020) 5.241 2.995 ( -3.141 -4.253 -4.355) 6.850 3.016 ( -1.239 -2.496 1.357) 3.100 3.090 ( -6.644 2.133 4.872) 8.510 3.117 ( -3.208 0.169 2.323) 3.964 3.173 ( -2.979 3.384 5.336) 6.986 3.203 ( -0.332 3.745 0.228) 3.766 3.235 ( -4.644 10.716 2.329) 11.908 3.286 ( -0.396 0.484 3.989) 4.038 3.329 ( -5.037 -3.078 1.674) 6.136 3.423 ( -2.707 6.710 1.105) 7.319 3.509 ( -1.440 -7.299 -1.354) 7.562 3.529 ( 2.170 -3.243 -0.948) 4.015 3.623 ( -0.306 -7.763 1.246) 7.869 3.653 ( -1.702 -5.921 1.664) 6.382 3.657 ( -1.309 4.740 0.518) 4.945 3.784 ( -0.976 -6.525 1.252) 6.716 3.872 ( -1.533 3.513 -0.321) 3.847 3.971 ( -2.042 -4.080 0.574) 4.599 4.041 ( 0.477 7.598 -0.907) 7.667 4.108 ( 0.842 7.873 -1.175) 8.005 4.178 ( 0.630 -3.026 1.969) 3.665 4.201 ( -2.174 2.384 -2.421) 4.033 4.254 ( 0.344 -1.388 -0.705) 1.594 4.261 ( -1.288 -4.515 -1.305) 4.874 4.318 ( 4.430 0.728 0.867) 4.573 4.348 ( 4.289 -1.465 -2.097) 4.994 4.449 ( -1.199 1.455 -1.377) 2.335 4.474 ( -1.126 -0.917 0.924) 1.721 4.512 ( 1.464 1.245 -0.219) 1.934 4.525 ( 1.044 -0.256 -0.112) 1.081 4.581 ( 0.228 0.632 -1.385) 1.539 4.608 ( -0.938 -1.798 0.763) 2.167 4.638 ( -1.527 1.718 1.136) 2.564 4.682 ( -3.343 -2.492 1.308) 4.370 4.700 ( -2.360 1.172 0.973) 2.809 4.718 ( -3.614 -0.160 2.220) 4.245 4.757 ( 6.442 2.134 -4.418) 8.098 4.791 ( 3.153 -1.394 -1.572) 3.789 4.903 ( 1.335 3.094 -3.054) 4.548 4.952 ( 1.621 -1.953 -1.816) 3.121 4.985 ( 1.977 0.846 -0.914) 2.336 5.011 ( 2.882 -1.748 -2.082) 3.962 5.249 ( 0.358 0.467 0.007) 0.588 5.258 ( 0.435 -0.152 -0.241) 0.520 5.294 ( 0.300 1.680 -1.884) 2.542 5.326 ( 0.766 -1.379 -1.981) 2.532 5.568 ( 0.198 0.315 -1.271) 1.324 5.575 ( 0.637 -0.256 -0.922) 1.149 5.589 ( 0.981 0.324 0.097) 1.038 5.595 ( 0.406 -0.275 -0.744) 0.891 6.466 ( -0.946 0.874 1.464) 1.950 6.488 ( -0.681 -1.330 0.963) 1.777 6.561 ( 0.960 -0.028 -0.246) 0.991 6.563 ( 1.438 -0.330 0.651) 1.613 6.741 ( 2.071 0.785 4.014) 4.585 6.759 ( 2.884 -0.958 4.113) 5.114 6.863 ( 1.063 2.930 -1.019) 3.279 6.911 ( 1.328 -1.905 -1.827) 2.954 7.038 ( -1.636 1.558 4.476) 5.014 7.072 ( -1.575 -1.804 4.371) 4.984 7.273 ( -1.860 1.574 -3.805) 4.518 7.305 ( -2.339 -1.641 -5.725) 6.398 7.423 ( 1.937 0.111 2.680) 3.308 7.425 ( 2.272 -0.084 2.953) 3.727 7.461 ( -1.386 1.101 -3.325) 3.767 7.481 ( -1.177 -0.854 -4.022) 4.277 7.974 ( -0.691 0.765 2.496) 2.701 7.991 ( -0.626 -1.026 2.572) 2.839 8.096 ( 0.451 0.310 -1.089) 1.219 8.100 ( 0.410 -0.071 -1.086) 1.163 ======================= Grid point 55 (36/50) ======================= q-point: (-0.14 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -6.848 8.949 14.367) 18.259 1.151 ( -10.518 -20.429 1.257) 23.011 1.200 ( 0.477 18.633 23.269) 29.814 1.493 ( -10.708 -12.758 18.606) 24.972 1.695 ( -11.849 9.477 17.331) 23.034 1.763 ( -3.291 2.860 6.775) 8.057 1.804 ( -3.913 7.960 4.384) 9.894 1.868 ( 1.618 5.946 2.299) 6.577 1.914 ( 3.290 -5.377 1.128) 6.404 1.950 ( -3.501 -2.206 -1.256) 4.324 2.010 ( -1.444 -8.484 5.956) 10.466 2.019 ( -4.157 1.146 5.018) 6.616 2.076 ( -0.283 -1.825 4.794) 5.138 2.128 ( 1.006 -4.214 1.018) 4.451 2.195 ( 1.898 4.464 0.121) 4.852 2.278 ( 4.791 -3.263 4.743) 7.490 2.300 ( -2.126 4.983 -8.049) 9.702 2.310 ( 5.321 -1.540 -0.829) 5.601 2.343 ( 0.314 -1.861 -3.368) 3.860 2.392 ( -2.629 0.968 4.023) 4.902 2.448 ( 0.611 -7.160 -1.062) 7.264 2.473 ( -3.762 -5.787 -0.691) 6.936 2.497 ( 2.225 2.586 0.395) 3.434 2.550 ( 1.678 1.058 -6.481) 6.778 2.562 ( 3.384 -2.543 -1.770) 4.588 2.604 ( -1.626 -0.268 -3.743) 4.089 2.626 ( -0.156 -1.288 -4.575) 4.755 2.654 ( 10.778 0.298 -7.241) 12.988 2.677 ( 10.531 2.551 -7.042) 12.923 2.714 ( 2.616 -1.016 -4.777) 5.540 2.749 ( 6.470 4.527 -5.404) 9.569 2.760 ( -2.860 1.002 -6.570) 7.235 2.782 ( 5.540 1.704 -5.874) 8.252 2.811 ( -3.496 -1.042 -0.856) 3.747 2.832 ( 7.590 1.024 -1.697) 7.844 2.876 ( 1.085 -1.962 1.828) 2.893 2.912 ( 3.675 -4.038 -0.060) 5.460 2.946 ( -0.082 -0.519 1.733) 1.811 2.964 ( 0.295 -0.762 4.822) 4.891 3.014 ( -0.266 0.005 0.884) 0.923 3.046 ( 0.672 1.379 1.938) 2.472 3.060 ( 0.232 1.539 2.055) 2.578 3.195 ( -1.384 11.527 5.033) 12.654 3.222 ( 2.051 8.816 3.700) 9.778 3.280 ( 5.444 -0.681 3.915) 6.740 3.304 ( 1.678 3.161 4.227) 5.538 3.393 ( 3.304 -7.970 4.656) 9.804 3.426 ( 2.596 5.188 1.343) 5.955 3.539 ( 2.936 -6.089 3.376) 7.556 3.607 ( 3.053 2.044 2.594) 4.498 3.624 ( -1.390 -3.798 1.352) 4.264 3.658 ( 3.567 -7.311 2.424) 8.488 3.679 ( 1.396 0.807 0.675) 1.748 3.785 ( -0.721 -6.401 1.359) 6.583 3.882 ( 1.693 2.107 0.034) 2.703 3.939 ( -1.042 -3.153 0.143) 3.323 4.004 ( 0.075 7.615 -3.509) 8.385 4.062 ( -1.635 7.253 -1.351) 7.556 4.127 ( -1.311 -4.675 -5.710) 7.495 4.189 ( -2.650 -4.112 -2.593) 5.536 4.200 ( -1.985 1.037 0.462) 2.286 4.261 ( -1.049 -2.308 -0.424) 2.570 4.332 ( -3.141 2.893 -2.768) 5.089 4.374 ( -1.625 -1.565 -2.470) 3.345 4.425 ( 0.515 1.932 0.711) 2.122 4.440 ( -1.879 -0.108 2.411) 3.059 4.520 ( -4.152 1.998 4.291) 6.297 4.529 ( 0.165 0.989 -0.455) 1.101 4.546 ( -3.213 -0.493 1.415) 3.545 4.567 ( -4.686 -1.307 4.149) 6.393 4.612 ( -3.513 0.430 1.753) 3.950 4.635 ( -2.121 -1.111 0.312) 2.415 4.660 ( -1.152 1.831 -0.271) 2.180 4.692 ( 0.371 -1.478 -1.654) 2.249 4.834 ( 4.103 2.854 -5.782) 7.643 4.841 ( 3.873 0.616 -3.123) 5.013 4.877 ( 0.198 1.465 -4.622) 4.852 4.936 ( -0.537 -3.007 -5.079) 5.927 4.979 ( -1.031 0.509 -3.053) 3.263 5.001 ( -1.178 -1.853 -4.466) 4.976 5.247 ( -0.451 0.847 -0.383) 1.034 5.257 ( -0.761 -0.319 0.377) 0.907 5.279 ( -0.156 1.456 -2.100) 2.560 5.309 ( -0.348 -1.399 -2.701) 3.061 5.560 ( 0.272 0.495 -1.537) 1.638 5.569 ( 0.149 -0.448 -1.714) 1.778 5.595 ( 0.100 0.650 -0.495) 0.823 5.606 ( 0.355 -0.539 0.073) 0.649 6.451 ( -1.231 1.119 0.180) 1.674 6.476 ( -0.963 -1.339 -0.065) 1.650 6.559 ( -1.176 -0.152 -2.705) 2.953 6.563 ( -0.305 -0.406 -2.185) 2.243 6.807 ( 0.701 1.104 3.467) 3.705 6.832 ( 0.638 -1.301 2.836) 3.185 6.852 ( -0.665 2.338 -1.573) 2.895 6.893 ( -0.882 -1.696 -2.307) 2.996 7.031 ( -2.202 1.181 3.059) 3.950 7.055 ( -2.850 -1.270 2.692) 4.121 7.214 ( -0.254 0.516 -3.292) 3.342 7.223 ( -0.889 -0.355 -3.765) 3.885 7.427 ( 0.814 0.992 -1.382) 1.886 7.447 ( 1.238 -1.100 -1.809) 2.453 7.553 ( 5.447 1.118 6.685) 8.695 7.575 ( 7.071 -1.155 6.239) 9.500 7.976 ( -0.910 0.810 2.117) 2.443 7.996 ( -0.807 -1.233 2.374) 2.795 8.093 ( 0.303 0.420 -1.447) 1.537 8.098 ( 0.328 -0.115 -1.013) 1.071 ======================= Grid point 63 (37/50) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -4.137 0.000 6.191) 7.446 1.455 ( -1.654 0.000 9.604) 9.746 1.581 ( 0.398 0.000 -3.151) 3.176 1.615 ( -4.031 0.000 14.693) 15.236 1.674 ( 6.088 0.000 16.450) 17.540 1.723 ( -6.704 0.000 -3.598) 7.608 1.866 ( -12.311 0.000 16.414) 20.518 1.913 ( -6.579 0.000 6.633) 9.342 2.011 ( 2.390 0.000 2.855) 3.723 2.061 ( 0.388 0.000 -1.011) 1.083 2.080 ( -0.715 0.000 -6.922) 6.959 2.104 ( 3.355 0.000 4.802) 5.858 2.118 ( -1.531 0.000 -4.441) 4.697 2.153 ( -4.791 0.000 -5.193) 7.065 2.169 ( 2.365 0.000 -6.170) 6.608 2.190 ( 1.747 0.000 0.717) 1.888 2.227 ( 0.044 0.000 -6.752) 6.752 2.232 ( -7.913 0.000 1.725) 8.099 2.341 ( -2.086 0.000 -6.219) 6.559 2.346 ( -0.574 0.000 -2.671) 2.732 2.437 ( 5.286 0.000 13.293) 14.306 2.489 ( -4.806 0.000 -0.006) 4.806 2.526 ( 5.313 0.000 -2.121) 5.721 2.556 ( 0.043 0.000 1.747) 1.747 2.578 ( -7.243 0.000 0.330) 7.251 2.596 ( -0.716 0.000 -1.215) 1.410 2.611 ( 2.524 0.000 0.513) 2.576 2.638 ( 2.555 0.000 0.698) 2.648 2.713 ( 10.542 0.000 -1.392) 10.633 2.727 ( -2.486 0.000 -0.343) 2.510 2.762 ( -3.219 0.000 -2.586) 4.129 2.763 ( 3.413 0.000 4.416) 5.581 2.811 ( -1.228 0.000 0.550) 1.346 2.875 ( 6.413 0.000 -2.003) 6.719 2.875 ( 7.306 0.000 -2.911) 7.864 2.956 ( 4.178 0.000 0.695) 4.235 2.987 ( 0.382 0.000 -0.109) 0.398 3.029 ( 3.888 0.000 -1.923) 4.338 3.037 ( 0.019 0.000 2.245) 2.245 3.085 ( -0.014 0.000 -0.041) 0.043 3.117 ( 6.227 0.000 -0.430) 6.242 3.155 ( -1.226 0.000 -11.567) 11.632 3.238 ( 0.524 0.000 8.339) 8.356 3.316 ( 1.764 0.000 -0.885) 1.974 3.411 ( 3.776 0.000 6.752) 7.736 3.439 ( 6.799 0.000 1.409) 6.944 3.490 ( 4.166 0.000 3.893) 5.702 3.497 ( -2.363 0.000 -1.021) 2.574 3.541 ( 9.346 0.000 1.715) 9.502 3.609 ( -0.451 0.000 0.404) 0.605 3.664 ( 4.257 0.000 1.796) 4.620 3.710 ( -3.936 0.000 -4.187) 5.747 3.760 ( 0.675 0.000 -2.981) 3.056 3.793 ( -4.661 0.000 -4.505) 6.482 3.815 ( 0.766 0.000 -3.225) 3.315 3.872 ( -5.384 0.000 -9.194) 10.655 4.050 ( 2.031 0.000 -0.605) 2.119 4.061 ( -0.912 0.000 -1.249) 1.547 4.097 ( -0.574 0.000 1.615) 1.714 4.129 ( 1.262 0.000 1.605) 2.042 4.186 ( -0.454 0.000 4.455) 4.479 4.198 ( 0.641 0.000 0.103) 0.649 4.221 ( -1.838 0.000 -3.656) 4.092 4.238 ( 3.048 0.000 2.248) 3.788 4.435 ( -1.683 0.000 1.763) 2.438 4.465 ( -4.289 0.000 0.215) 4.294 4.496 ( 0.817 0.000 1.916) 2.083 4.527 ( -1.152 0.000 -1.223) 1.680 4.569 ( -2.952 0.000 2.968) 4.186 4.578 ( -6.972 0.000 6.345) 9.427 4.589 ( -0.285 0.000 1.943) 1.964 4.631 ( -3.753 0.000 -0.225) 3.759 4.638 ( -1.587 0.000 -4.531) 4.801 4.638 ( -1.900 0.000 2.966) 3.523 4.675 ( -0.557 0.000 2.749) 2.805 4.785 ( 4.598 0.000 -6.266) 7.771 4.802 ( 1.865 0.000 -3.365) 3.847 4.815 ( -0.355 0.000 -1.187) 1.239 4.838 ( -0.605 0.000 -4.315) 4.358 4.856 ( 0.373 0.000 -2.973) 2.996 5.217 ( 1.377 0.000 0.164) 1.387 5.225 ( -1.674 0.000 -0.462) 1.737 5.267 ( -1.298 0.000 0.717) 1.483 5.285 ( 1.004 0.000 -0.935) 1.372 5.542 ( -0.465 0.000 -0.393) 0.609 5.546 ( 1.017 0.000 -0.635) 1.199 5.581 ( 0.932 0.000 0.300) 0.979 5.594 ( -1.043 0.000 -0.762) 1.292 6.424 ( -0.246 0.000 0.651) 0.696 6.445 ( -0.331 0.000 -1.295) 1.337 6.454 ( -0.994 0.000 -0.397) 1.071 6.471 ( -0.587 0.000 -1.953) 2.040 6.826 ( -2.782 0.000 1.262) 3.055 6.836 ( 1.306 0.000 0.119) 1.311 6.837 ( -2.965 0.000 0.941) 3.111 6.860 ( 1.101 0.000 -1.233) 1.653 7.082 ( -3.087 0.000 4.224) 5.232 7.084 ( -3.632 0.000 3.515) 5.054 7.156 ( 3.267 0.000 -3.454) 4.754 7.167 ( 3.735 0.000 -3.748) 5.292 7.447 ( 0.904 0.000 0.559) 1.062 7.464 ( 1.371 0.000 -1.103) 1.760 7.735 ( 0.992 0.000 1.683) 1.953 7.749 ( 1.395 0.000 0.025) 1.395 8.000 ( -1.232 0.000 1.910) 2.273 8.040 ( 0.769 0.000 -1.948) 2.094 8.064 ( -0.807 0.000 1.780) 1.954 8.090 ( 0.647 0.000 -0.764) 1.001 ======================= Grid point 64 (38/50) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -0.666 0.000 10.436) 10.457 1.497 ( -4.646 0.000 -0.098) 4.647 1.570 ( 3.662 0.000 14.089) 14.557 1.586 ( -10.543 0.000 14.840) 18.204 1.631 ( 0.975 0.000 -1.510) 1.797 1.768 ( -10.268 0.000 15.786) 18.831 1.782 ( -11.150 0.000 6.148) 12.733 1.817 ( -5.392 0.000 -16.628) 17.480 1.901 ( -13.892 0.000 -1.091) 13.935 1.976 ( -0.939 0.000 -1.080) 1.431 2.001 ( 3.502 0.000 10.515) 11.083 2.005 ( -8.440 0.000 -3.606) 9.178 2.038 ( -12.648 0.000 2.600) 12.912 2.066 ( -4.932 0.000 2.609) 5.580 2.108 ( 0.293 0.000 -6.274) 6.281 2.190 ( -3.434 0.000 -0.442) 3.463 2.305 ( 5.620 0.000 6.110) 8.302 2.306 ( 4.899 0.000 2.825) 5.655 2.312 ( 1.191 0.000 -2.516) 2.784 2.345 ( -2.658 0.000 -7.036) 7.521 2.384 ( -2.851 0.000 -2.185) 3.592 2.386 ( -11.275 0.000 2.126) 11.474 2.418 ( -2.522 0.000 -0.487) 2.568 2.489 ( 0.958 0.000 -2.937) 3.089 2.550 ( -8.501 0.000 -4.224) 9.492 2.560 ( -3.585 0.000 -2.853) 4.582 2.612 ( 4.962 0.000 2.561) 5.584 2.693 ( 4.078 0.000 -1.386) 4.307 2.734 ( 4.292 0.000 7.345) 8.507 2.808 ( 0.403 0.000 5.523) 5.538 2.859 ( 3.512 0.000 -3.050) 4.652 2.898 ( 3.740 0.000 -7.099) 8.024 2.924 ( 2.836 0.000 -9.428) 9.846 2.936 ( 8.152 0.000 6.086) 10.174 2.940 ( 4.655 0.000 0.900) 4.741 2.969 ( -2.685 0.000 -5.807) 6.397 3.003 ( 0.841 0.000 -1.797) 1.984 3.042 ( 2.810 0.000 -7.841) 8.329 3.061 ( 1.966 0.000 2.637) 3.289 3.085 ( 4.586 0.000 -5.769) 7.370 3.136 ( 6.678 0.000 -7.109) 9.753 3.239 ( 6.025 0.000 -2.981) 6.722 3.352 ( 4.979 0.000 2.219) 5.451 3.363 ( -4.726 0.000 -5.885) 7.547 3.402 ( 6.868 0.000 -4.363) 8.137 3.444 ( -2.007 0.000 -9.053) 9.273 3.495 ( 0.249 0.000 -6.684) 6.689 3.508 ( 1.448 0.000 -3.746) 4.016 3.602 ( -3.854 0.000 -4.116) 5.639 3.607 ( 4.861 0.000 -8.139) 9.481 3.703 ( -0.442 0.000 2.143) 2.188 3.716 ( 3.309 0.000 -4.188) 5.337 3.763 ( 6.294 0.000 2.017) 6.609 3.836 ( 7.498 0.000 3.963) 8.481 3.862 ( 4.514 0.000 -1.942) 4.914 3.871 ( 4.649 0.000 5.137) 6.928 4.022 ( 0.125 0.000 0.681) 0.692 4.058 ( -0.553 0.000 0.371) 0.666 4.103 ( -2.720 0.000 -1.225) 2.983 4.116 ( -0.767 0.000 -0.162) 0.784 4.175 ( -2.394 0.000 1.322) 2.735 4.178 ( -2.996 0.000 -1.370) 3.295 4.198 ( -0.250 0.000 -0.155) 0.294 4.254 ( 1.053 0.000 0.199) 1.071 4.393 ( -4.426 0.000 4.344) 6.202 4.427 ( -6.119 0.000 4.362) 7.515 4.444 ( -7.241 0.000 6.553) 9.766 4.495 ( -7.018 0.000 2.390) 7.414 4.515 ( -0.785 0.000 0.089) 0.790 4.534 ( -3.203 0.000 3.888) 5.037 4.537 ( -0.157 0.000 2.601) 2.606 4.615 ( 0.573 0.000 2.728) 2.787 4.643 ( 2.450 0.000 0.789) 2.574 4.694 ( 2.853 0.000 5.736) 6.407 4.715 ( 1.039 0.000 5.962) 6.052 4.796 ( 0.165 0.000 1.108) 1.121 4.813 ( 2.840 0.000 -4.672) 5.467 4.829 ( 2.839 0.000 -4.033) 4.932 4.840 ( 2.342 0.000 -1.663) 2.873 4.858 ( 0.905 0.000 -1.452) 1.711 5.196 ( -0.913 0.000 -0.123) 0.921 5.243 ( 0.915 0.000 0.455) 1.022 5.247 ( -1.304 0.000 1.130) 1.726 5.291 ( 0.233 0.000 -0.774) 0.809 5.523 ( -1.151 0.000 -0.348) 1.203 5.553 ( 0.444 0.000 -0.940) 1.039 5.569 ( -0.899 0.000 -0.422) 0.993 5.602 ( 0.748 0.000 0.447) 0.871 6.437 ( 0.605 0.000 1.392) 1.518 6.447 ( 1.314 0.000 -0.396) 1.372 6.462 ( 1.032 0.000 1.677) 1.970 6.475 ( 1.679 0.000 0.367) 1.719 6.780 ( -3.199 0.000 2.235) 3.902 6.794 ( -2.946 0.000 2.820) 4.078 6.856 ( 0.124 0.000 0.599) 0.612 6.874 ( 0.453 0.000 0.203) 0.496 7.048 ( -2.720 0.000 3.596) 4.508 7.056 ( -2.528 0.000 3.907) 4.653 7.193 ( 3.203 0.000 -3.169) 4.505 7.205 ( 3.467 0.000 -4.326) 5.544 7.456 ( 0.243 0.000 -1.221) 1.245 7.470 ( 0.864 0.000 -3.114) 3.232 7.727 ( -1.945 0.000 -1.280) 2.328 7.738 ( -1.464 0.000 -2.541) 2.933 7.993 ( -1.113 0.000 2.348) 2.599 8.042 ( 0.852 0.000 -1.511) 1.734 8.051 ( -1.798 0.000 1.733) 2.497 8.089 ( -0.026 0.000 -1.018) 1.019 ======================= Grid point 65 (39/50) ======================= q-point: ( 0.29 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -6.670 0.000 7.038) 9.697 1.488 ( -2.733 0.000 3.653) 4.563 1.560 ( -4.169 0.000 -1.913) 4.587 1.576 ( -8.515 0.000 -12.633) 15.235 1.597 ( 1.195 0.000 5.196) 5.331 1.635 ( -7.200 0.000 3.029) 7.811 1.707 ( -1.099 0.000 6.462) 6.554 1.749 ( -6.837 0.000 -1.593) 7.020 1.753 ( -5.238 0.000 4.128) 6.669 1.786 ( -6.410 0.000 2.618) 6.924 1.834 ( -3.575 0.000 6.361) 7.297 1.886 ( 3.667 0.000 3.453) 5.037 1.971 ( -5.371 0.000 1.257) 5.516 2.022 ( -0.669 0.000 -4.417) 4.468 2.071 ( -9.179 0.000 -3.290) 9.750 2.125 ( -8.564 0.000 -3.176) 9.134 2.145 ( -8.347 0.000 -0.384) 8.356 2.222 ( -7.017 0.000 0.974) 7.084 2.272 ( 3.681 0.000 1.836) 4.114 2.336 ( -2.797 0.000 2.383) 3.675 2.380 ( -1.069 0.000 1.667) 1.980 2.431 ( 3.891 0.000 -7.629) 8.564 2.476 ( 3.826 0.000 -0.156) 3.829 2.495 ( 2.868 0.000 -3.396) 4.445 2.529 ( 5.207 0.000 -1.364) 5.383 2.572 ( 4.650 0.000 6.627) 8.096 2.677 ( -1.778 0.000 -0.352) 1.812 2.721 ( -2.102 0.000 -1.656) 2.676 2.766 ( -2.374 0.000 -1.511) 2.814 2.773 ( -1.231 0.000 -0.708) 1.420 2.848 ( 2.800 0.000 5.827) 6.464 2.875 ( 0.598 0.000 -8.281) 8.303 2.900 ( -0.695 0.000 -9.473) 9.499 2.911 ( -1.767 0.000 -4.124) 4.486 2.923 ( -0.651 0.000 -2.530) 2.612 3.003 ( -0.793 0.000 -5.177) 5.237 3.008 ( -1.267 0.000 -0.955) 1.586 3.043 ( 1.087 0.000 -0.685) 1.285 3.097 ( -1.045 0.000 -11.863) 11.909 3.171 ( 5.867 0.000 -2.431) 6.351 3.209 ( -1.874 0.000 3.876) 4.305 3.268 ( 4.630 0.000 11.428) 12.331 3.326 ( -3.719 0.000 -6.439) 7.436 3.394 ( 10.140 0.000 -7.687) 12.725 3.413 ( 2.672 0.000 -10.963) 11.284 3.427 ( 8.941 0.000 -8.567) 12.382 3.485 ( -0.604 0.000 -4.290) 4.333 3.544 ( 4.853 0.000 -0.112) 4.854 3.552 ( 1.332 0.000 -1.719) 2.175 3.604 ( -2.095 0.000 -2.956) 3.623 3.694 ( -3.787 0.000 -7.554) 8.450 3.714 ( -1.164 0.000 -2.692) 2.933 3.829 ( 5.760 0.000 -3.260) 6.618 3.855 ( 0.118 0.000 -6.072) 6.073 3.992 ( 1.256 0.000 6.001) 6.132 4.004 ( 2.766 0.000 1.629) 3.210 4.051 ( -0.058 0.000 -4.270) 4.271 4.058 ( -1.730 0.000 -3.508) 3.911 4.072 ( 0.308 0.000 1.507) 1.538 4.114 ( 8.600 0.000 -2.252) 8.890 4.153 ( 0.668 0.000 7.894) 7.922 4.160 ( 1.602 0.000 2.829) 3.251 4.255 ( 2.732 0.000 1.903) 3.330 4.264 ( -7.351 0.000 3.058) 7.961 4.285 ( -4.393 0.000 6.884) 8.166 4.363 ( -1.791 0.000 4.987) 5.299 4.404 ( -4.066 0.000 4.355) 5.958 4.410 ( -4.340 0.000 8.935) 9.933 4.457 ( -3.362 0.000 -0.844) 3.467 4.541 ( 0.017 0.000 2.138) 2.138 4.543 ( -0.328 0.000 -0.840) 0.902 4.629 ( -1.153 0.000 1.104) 1.596 4.716 ( 3.824 0.000 0.617) 3.874 4.786 ( 1.449 0.000 4.332) 4.568 4.799 ( 2.421 0.000 7.066) 7.469 4.831 ( 1.294 0.000 -0.601) 1.427 4.841 ( 2.972 0.000 -2.972) 4.203 4.853 ( 1.810 0.000 2.045) 2.731 4.857 ( -0.477 0.000 0.431) 0.643 4.869 ( 1.639 0.000 -0.832) 1.838 5.195 ( 0.564 0.000 0.500) 0.754 5.244 ( 0.141 0.000 1.349) 1.356 5.250 ( -0.470 0.000 0.029) 0.471 5.288 ( 0.245 0.000 -0.543) 0.596 5.505 ( -0.437 0.000 0.298) 0.529 5.554 ( 0.466 0.000 -0.789) 0.916 5.558 ( -0.209 0.000 0.368) 0.423 5.610 ( -0.086 0.000 -0.161) 0.183 6.462 ( 0.553 0.000 1.843) 1.924 6.485 ( 2.295 0.000 0.351) 2.322 6.497 ( 0.737 0.000 2.143) 2.266 6.527 ( 2.373 0.000 1.673) 2.904 6.747 ( -2.382 0.000 3.278) 4.052 6.771 ( -2.303 0.000 4.399) 4.965 6.836 ( -2.036 0.000 -0.680) 2.146 6.861 ( -1.661 0.000 -0.441) 1.718 7.054 ( 0.113 0.000 4.923) 4.924 7.067 ( 0.179 0.000 5.419) 5.422 7.223 ( 2.734 0.000 -4.133) 4.955 7.240 ( 3.256 0.000 -2.946) 4.391 7.438 ( -0.607 0.000 -2.240) 2.321 7.450 ( 0.140 0.000 -4.420) 4.422 7.647 ( -4.052 0.000 -4.120) 5.779 7.660 ( -3.533 0.000 -5.136) 6.234 7.995 ( -0.714 0.000 2.822) 2.911 8.034 ( -1.326 0.000 2.323) 2.675 8.049 ( 0.974 0.000 -1.321) 1.641 8.080 ( 0.128 0.000 -1.148) 1.155 ======================= Grid point 66 (40/50) ======================= q-point: (-0.57 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -3.036 0.000 -9.523) 9.995 1.330 ( -11.735 0.000 -8.473) 14.474 1.404 ( -5.533 0.000 -2.921) 6.256 1.449 ( -0.364 0.000 -6.877) 6.887 1.530 ( -1.482 0.000 3.225) 3.549 1.606 ( 2.025 0.000 1.063) 2.287 1.698 ( 1.618 0.000 2.438) 2.926 1.719 ( 0.765 0.000 0.621) 0.986 1.754 ( -0.825 0.000 -2.323) 2.465 1.781 ( 1.839 0.000 5.826) 6.109 1.863 ( -5.507 0.000 -1.569) 5.726 1.946 ( -2.387 0.000 -4.785) 5.347 1.949 ( 3.275 0.000 5.858) 6.711 1.977 ( 9.188 0.000 9.202) 13.004 2.032 ( -0.827 0.000 0.331) 0.890 2.054 ( -2.466 0.000 2.913) 3.817 2.167 ( 10.182 0.000 10.513) 14.636 2.168 ( -1.285 0.000 2.814) 3.094 2.223 ( -2.649 0.000 -4.136) 4.912 2.282 ( -4.476 0.000 -3.399) 5.620 2.333 ( -0.024 0.000 -1.941) 1.941 2.352 ( -6.004 0.000 -4.045) 7.240 2.448 ( -4.355 0.000 -7.319) 8.517 2.456 ( -0.844 0.000 -9.262) 9.300 2.630 ( -0.476 0.000 -0.754) 0.892 2.642 ( -0.488 0.000 -1.063) 1.170 2.676 ( 1.257 0.000 -2.505) 2.803 2.708 ( -2.707 0.000 -7.341) 7.825 2.724 ( -3.522 0.000 0.439) 3.549 2.742 ( -3.444 0.000 -4.099) 5.354 2.785 ( 2.975 0.000 6.871) 7.487 2.814 ( 2.247 0.000 1.709) 2.823 2.862 ( 0.270 0.000 -0.546) 0.609 2.936 ( 1.025 0.000 3.410) 3.561 2.950 ( 3.288 0.000 -0.420) 3.315 3.004 ( 1.112 0.000 0.423) 1.190 3.006 ( 0.455 0.000 4.603) 4.626 3.040 ( -0.185 0.000 -2.336) 2.344 3.075 ( 2.592 0.000 -2.900) 3.890 3.107 ( -4.135 0.000 3.566) 5.460 3.165 ( -5.231 0.000 -6.640) 8.453 3.262 ( -1.904 0.000 -2.947) 3.509 3.316 ( -8.317 0.000 -0.251) 8.321 3.340 ( 6.799 0.000 -7.223) 9.919 3.442 ( -4.067 0.000 -9.585) 10.412 3.484 ( -9.999 0.000 6.020) 11.671 3.509 ( -3.004 0.000 0.519) 3.049 3.555 ( -0.081 0.000 -2.854) 2.855 3.561 ( -3.824 0.000 -4.812) 6.147 3.587 ( 4.742 0.000 -6.562) 8.096 3.614 ( 10.245 0.000 10.410) 14.605 3.726 ( 6.828 0.000 4.688) 8.283 3.831 ( -2.500 0.000 -2.571) 3.586 3.834 ( -2.781 0.000 -4.280) 5.104 3.950 ( -1.282 0.000 -2.617) 2.914 3.987 ( -6.976 0.000 5.261) 8.737 4.018 ( -0.453 0.000 -2.180) 2.227 4.058 ( -0.685 0.000 -3.071) 3.146 4.124 ( 1.827 0.000 -0.939) 2.055 4.139 ( 1.713 0.000 -4.198) 4.534 4.227 ( -0.799 0.000 2.094) 2.241 4.234 ( 8.278 0.000 1.631) 8.437 4.250 ( 3.002 0.000 1.607) 3.405 4.315 ( 3.920 0.000 3.576) 5.306 4.317 ( -6.537 0.000 3.521) 7.425 4.334 ( 1.599 0.000 1.514) 2.202 4.423 ( -1.645 0.000 8.592) 8.748 4.440 ( 3.308 0.000 -0.440) 3.337 4.447 ( 3.077 0.000 3.053) 4.335 4.524 ( -0.225 0.000 -2.251) 2.262 4.563 ( 2.551 0.000 -2.482) 3.560 4.588 ( -2.008 0.000 -2.701) 3.365 4.774 ( 1.538 0.000 0.417) 1.593 4.808 ( -1.027 0.000 0.830) 1.320 4.826 ( -0.727 0.000 -0.122) 0.737 4.836 ( -1.177 0.000 -0.140) 1.185 4.863 ( 0.341 0.000 2.915) 2.934 4.894 ( 1.494 0.000 0.827) 1.707 4.898 ( 1.824 0.000 2.876) 3.406 4.914 ( 2.311 0.000 0.645) 2.400 5.213 ( 0.827 0.000 0.451) 0.942 5.236 ( -0.525 0.000 -0.386) 0.651 5.269 ( 1.086 0.000 1.271) 1.672 5.296 ( 0.733 0.000 -0.243) 0.772 5.519 ( 1.337 0.000 1.250) 1.830 5.560 ( 0.531 0.000 -0.489) 0.722 5.563 ( 0.158 0.000 0.568) 0.590 5.596 ( -0.837 0.000 -1.117) 1.396 6.485 ( 0.536 0.000 1.898) 1.973 6.519 ( 0.259 0.000 1.829) 1.847 6.519 ( 0.824 0.000 -0.123) 0.834 6.561 ( -0.092 0.000 0.391) 0.401 6.741 ( -1.080 0.000 3.604) 3.763 6.771 ( -1.494 0.000 4.746) 4.975 6.796 ( -0.535 0.000 -1.369) 1.470 6.838 ( 0.629 0.000 -1.346) 1.486 7.102 ( -0.038 0.000 6.056) 6.056 7.131 ( 1.189 0.000 6.371) 6.481 7.234 ( 1.814 0.000 -4.514) 4.865 7.277 ( 2.480 0.000 -2.698) 3.665 7.412 ( -0.500 0.000 -0.750) 0.902 7.415 ( -0.392 0.000 -3.077) 3.102 7.531 ( -3.963 0.000 -5.303) 6.620 7.546 ( -3.500 0.000 -6.124) 7.053 8.006 ( -0.537 0.000 2.895) 2.945 8.036 ( -0.608 0.000 2.499) 2.572 8.057 ( 0.945 0.000 -1.539) 1.806 8.077 ( 0.442 0.000 -1.200) 1.279 ======================= Grid point 67 (41/50) ======================= q-point: (-0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -7.699 0.000 4.640) 8.989 1.222 ( -5.531 0.000 4.602) 7.195 1.355 ( 7.612 0.000 -3.437) 8.352 1.456 ( 4.955 0.000 -5.090) 7.104 1.632 ( 6.497 0.000 0.390) 6.508 1.676 ( 7.228 0.000 -7.153) 10.169 1.770 ( 6.895 0.000 -3.173) 7.590 1.778 ( 5.931 0.000 -8.403) 10.285 1.796 ( 5.973 0.000 -3.183) 6.768 1.823 ( 8.868 0.000 -1.784) 9.045 1.885 ( 2.792 0.000 2.543) 3.777 1.912 ( 1.511 0.000 -4.534) 4.780 2.003 ( -1.284 0.000 -4.561) 4.738 2.039 ( -3.787 0.000 7.852) 8.718 2.048 ( 4.855 0.000 0.708) 4.907 2.106 ( -3.392 0.000 -0.755) 3.475 2.160 ( -4.768 0.000 -0.087) 4.769 2.188 ( 3.669 0.000 4.132) 5.526 2.273 ( 3.414 0.000 2.605) 4.295 2.296 ( 0.553 0.000 -8.837) 8.854 2.331 ( 5.469 0.000 10.048) 11.440 2.355 ( 2.421 0.000 -3.397) 4.172 2.377 ( 3.369 0.000 -2.272) 4.063 2.411 ( -3.242 0.000 -9.333) 9.880 2.521 ( -5.021 0.000 -8.872) 10.194 2.539 ( 8.105 0.000 7.679) 11.165 2.651 ( -2.995 0.000 0.147) 2.998 2.661 ( -5.236 0.000 4.813) 7.111 2.663 ( -2.828 0.000 0.372) 2.852 2.704 ( 0.227 0.000 0.921) 0.949 2.813 ( -8.854 0.000 4.526) 9.944 2.877 ( -0.098 0.000 1.994) 1.996 2.911 ( -2.900 0.000 -3.324) 4.411 2.945 ( -0.886 0.000 0.360) 0.956 2.957 ( 3.784 0.000 2.819) 4.719 2.970 ( 1.241 0.000 1.192) 1.721 3.017 ( -1.930 0.000 -2.542) 3.192 3.087 ( -3.004 0.000 2.113) 3.673 3.089 ( -1.979 0.000 -4.402) 4.827 3.102 ( -0.555 0.000 -0.820) 0.990 3.129 ( 0.440 0.000 2.441) 2.481 3.141 ( -9.139 0.000 1.908) 9.336 3.178 ( -1.927 0.000 9.044) 9.247 3.269 ( -7.625 0.000 7.348) 10.589 3.299 ( -3.268 0.000 1.933) 3.797 3.449 ( -9.001 0.000 6.325) 11.001 3.483 ( -2.750 0.000 3.771) 4.668 3.502 ( -2.516 0.000 0.770) 2.631 3.523 ( 5.769 0.000 -3.413) 6.703 3.553 ( -1.212 0.000 -1.055) 1.607 3.765 ( -2.991 0.000 0.875) 3.117 3.768 ( -7.849 0.000 1.294) 7.955 3.794 ( -1.143 0.000 -0.250) 1.170 3.842 ( 0.134 0.000 10.852) 10.852 3.853 ( -5.447 0.000 -6.235) 8.280 3.871 ( 2.598 0.000 0.874) 2.741 4.010 ( 2.720 0.000 -0.379) 2.746 4.112 ( 6.163 0.000 -5.260) 8.102 4.153 ( 2.796 0.000 -3.209) 4.256 4.179 ( -5.167 0.000 5.192) 7.325 4.193 ( -6.634 0.000 0.977) 6.705 4.197 ( 5.626 0.000 -3.327) 6.536 4.340 ( 4.258 0.000 -1.562) 4.535 4.344 ( -0.471 0.000 -0.413) 0.626 4.380 ( 1.781 0.000 -1.181) 2.137 4.399 ( 9.068 0.000 -4.962) 10.337 4.453 ( 0.098 0.000 1.565) 1.568 4.480 ( 1.192 0.000 0.814) 1.444 4.518 ( 2.436 0.000 -3.978) 4.665 4.529 ( 1.374 0.000 0.816) 1.598 4.539 ( -0.309 0.000 -2.359) 2.379 4.612 ( 7.177 0.000 -7.108) 10.101 4.772 ( -3.304 0.000 0.836) 3.408 4.781 ( -1.648 0.000 2.158) 2.715 4.808 ( -2.376 0.000 1.866) 3.021 4.812 ( -1.169 0.000 1.289) 1.740 4.869 ( -1.334 0.000 1.594) 2.079 4.929 ( 1.680 0.000 -0.908) 1.910 4.935 ( 1.022 0.000 -0.242) 1.050 4.944 ( 1.739 0.000 -2.311) 2.892 5.227 ( -0.104 0.000 -0.795) 0.801 5.231 ( 0.857 0.000 0.114) 0.865 5.287 ( -0.019 0.000 0.452) 0.453 5.302 ( 0.367 0.000 -1.546) 1.589 5.550 ( -0.880 0.000 -1.530) 1.765 5.558 ( 0.892 0.000 0.189) 0.912 5.571 ( 0.950 0.000 0.955) 1.348 5.579 ( 0.179 0.000 -1.085) 1.100 6.500 ( -0.646 0.000 1.634) 1.757 6.513 ( -0.841 0.000 -0.730) 1.114 6.547 ( -0.295 0.000 -0.864) 0.913 6.552 ( 1.759 0.000 1.435) 2.270 6.755 ( 0.218 0.000 2.599) 2.608 6.786 ( -0.006 0.000 3.642) 3.642 6.798 ( 1.288 0.000 -1.715) 2.144 6.856 ( 2.189 0.000 -3.109) 3.802 7.129 ( -1.832 0.000 5.548) 5.843 7.183 ( -0.851 0.000 5.639) 5.703 7.219 ( 0.122 0.000 -4.866) 4.868 7.264 ( -0.674 0.000 -6.246) 6.283 7.423 ( -0.039 0.000 -0.047) 0.061 7.423 ( 1.533 0.000 2.062) 2.570 7.446 ( -0.104 0.000 0.113) 0.154 7.459 ( -0.881 0.000 -2.927) 3.057 8.014 ( -0.776 0.000 2.512) 2.629 8.044 ( -0.474 0.000 2.129) 2.181 8.059 ( 0.669 0.000 -2.096) 2.200 8.076 ( 0.485 0.000 -1.439) 1.519 ======================= Grid point 68 (42/50) ======================= q-point: (-0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 3.115 0.000 21.530) 21.754 1.208 ( -3.119 0.000 16.477) 16.769 1.515 ( 2.894 0.000 -3.578) 4.602 1.603 ( 8.987 0.000 3.312) 9.578 1.629 ( 2.571 0.000 -2.733) 3.752 1.730 ( 1.344 0.000 -2.183) 2.564 1.826 ( 10.667 0.000 -10.062) 14.664 1.871 ( 0.052 0.000 -8.302) 8.302 1.907 ( 5.652 0.000 -8.501) 10.209 1.948 ( 7.121 0.000 -1.757) 7.334 1.956 ( 1.793 0.000 -2.564) 3.129 1.994 ( 10.840 0.000 -6.762) 12.776 2.045 ( 11.309 0.000 -5.079) 12.398 2.067 ( -0.747 0.000 9.007) 9.038 2.077 ( 12.484 0.000 -8.878) 15.319 2.139 ( 6.954 0.000 -3.005) 7.575 2.195 ( -3.340 0.000 -12.834) 13.261 2.207 ( 2.741 0.000 9.060) 9.466 2.234 ( 0.345 0.000 -6.911) 6.920 2.312 ( 3.693 0.000 -5.872) 6.936 2.356 ( 6.862 0.000 1.851) 7.108 2.370 ( 4.782 0.000 0.416) 4.800 2.420 ( 1.298 0.000 1.691) 2.132 2.474 ( 1.314 0.000 4.568) 4.753 2.507 ( -14.841 0.000 16.273) 22.024 2.599 ( -4.123 0.000 0.759) 4.192 2.620 ( -0.674 0.000 3.401) 3.468 2.633 ( 2.192 0.000 1.930) 2.920 2.682 ( 1.113 0.000 6.801) 6.892 2.760 ( -6.869 0.000 -6.747) 9.628 2.772 ( 1.294 0.000 4.779) 4.951 2.800 ( 6.533 0.000 4.447) 7.903 2.800 ( -2.251 0.000 -3.725) 4.352 2.935 ( -5.113 0.000 -0.945) 5.200 2.936 ( -11.536 0.000 9.666) 15.050 2.958 ( -0.677 0.000 -1.689) 1.820 2.969 ( -4.848 0.000 -2.528) 5.468 2.973 ( -2.162 0.000 1.950) 2.912 3.015 ( -1.226 0.000 3.458) 3.669 3.046 ( -2.486 0.000 5.388) 5.934 3.106 ( -0.228 0.000 7.184) 7.188 3.127 ( -2.341 0.000 5.931) 6.376 3.194 ( -2.543 0.000 4.067) 4.797 3.238 ( -7.559 0.000 8.097) 11.077 3.323 ( -6.033 0.000 5.795) 8.365 3.376 ( 2.297 0.000 4.585) 5.128 3.487 ( 0.060 0.000 8.831) 8.831 3.502 ( -5.706 0.000 5.344) 7.818 3.515 ( 0.814 0.000 4.935) 5.002 3.579 ( -5.320 0.000 -2.026) 5.693 3.633 ( -1.780 0.000 -4.017) 4.393 3.655 ( 0.703 0.000 -8.325) 8.354 3.786 ( 3.271 0.000 0.556) 3.318 3.794 ( -2.346 0.000 0.465) 2.392 3.920 ( 2.869 0.000 5.594) 6.286 3.923 ( 2.477 0.000 6.010) 6.500 4.034 ( -4.656 0.000 0.759) 4.718 4.056 ( -6.857 0.000 2.353) 7.249 4.139 ( -0.102 0.000 -5.366) 5.367 4.143 ( 3.198 0.000 -3.799) 4.966 4.207 ( 1.576 0.000 -1.931) 2.493 4.267 ( 1.508 0.000 -2.039) 2.536 4.320 ( -4.095 0.000 -3.977) 5.708 4.323 ( 0.179 0.000 -2.679) 2.685 4.399 ( 1.119 0.000 0.746) 1.346 4.467 ( 2.118 0.000 -5.642) 6.026 4.482 ( 4.178 0.000 -2.871) 5.070 4.509 ( 1.986 0.000 -4.655) 5.061 4.520 ( 1.364 0.000 -1.390) 1.948 4.549 ( 5.931 0.000 -3.739) 7.011 4.586 ( 4.912 0.000 -2.908) 5.709 4.683 ( 2.888 0.000 -2.963) 4.138 4.703 ( -4.510 0.000 1.206) 4.669 4.753 ( -3.289 0.000 3.101) 4.520 4.774 ( -3.489 0.000 3.471) 4.921 4.794 ( -1.622 0.000 0.815) 1.815 4.841 ( -2.711 0.000 1.347) 3.027 4.921 ( -0.571 0.000 -3.846) 3.888 4.934 ( 0.268 0.000 -3.292) 3.303 4.948 ( 1.207 0.000 -5.502) 5.633 5.216 ( -0.286 0.000 -1.364) 1.394 5.249 ( 0.968 0.000 0.114) 0.975 5.280 ( -0.771 0.000 0.165) 0.788 5.285 ( -0.031 0.000 -2.734) 2.734 5.527 ( 0.028 0.000 -1.702) 1.703 5.555 ( -0.126 0.000 -0.751) 0.761 5.574 ( 0.068 0.000 -1.099) 1.101 5.604 ( 0.985 0.000 0.580) 1.143 6.482 ( -2.136 0.000 0.714) 2.252 6.491 ( -0.675 0.000 -0.891) 1.118 6.540 ( 0.131 0.000 -1.727) 1.732 6.563 ( -1.199 0.000 -1.623) 2.018 6.803 ( 2.546 0.000 2.557) 3.608 6.803 ( 0.941 0.000 -2.194) 2.388 6.835 ( 2.500 0.000 2.214) 3.339 6.860 ( 1.294 0.000 -3.976) 4.181 7.123 ( -2.766 0.000 5.042) 5.750 7.165 ( -1.339 0.000 -5.432) 5.595 7.177 ( -3.333 0.000 3.706) 4.985 7.187 ( -1.536 0.000 -5.965) 6.160 7.401 ( 0.092 0.000 -0.072) 0.117 7.421 ( 0.518 0.000 -0.871) 1.013 7.540 ( 4.398 0.000 6.230) 7.626 7.544 ( 5.139 0.000 5.631) 7.623 8.014 ( -1.015 0.000 2.047) 2.285 8.049 ( -0.450 0.000 1.856) 1.909 8.052 ( 0.489 0.000 -2.507) 2.555 8.075 ( 0.640 0.000 -1.545) 1.673 ======================= Grid point 69 (43/50) ======================= q-point: (-0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 3.446 0.000 22.019) 22.287 1.440 ( 3.288 0.000 19.634) 19.908 1.485 ( -1.301 0.000 3.752) 3.971 1.489 ( -6.382 0.000 2.555) 6.875 1.727 ( -1.776 0.000 -13.150) 13.270 1.799 ( 1.712 0.000 7.610) 7.800 1.915 ( 4.763 0.000 -2.871) 5.562 1.918 ( 0.397 0.000 -10.930) 10.937 1.971 ( 3.460 0.000 -2.987) 4.571 2.017 ( 14.185 0.000 0.363) 14.190 2.032 ( -8.866 0.000 8.942) 12.592 2.034 ( 9.005 0.000 -1.901) 9.203 2.068 ( 3.063 0.000 1.024) 3.230 2.089 ( -4.118 0.000 0.628) 4.166 2.202 ( 12.582 0.000 -10.523) 16.403 2.217 ( -0.773 0.000 2.037) 2.179 2.260 ( 8.902 0.000 -5.563) 10.497 2.304 ( -0.001 0.000 7.217) 7.217 2.347 ( -0.260 0.000 -1.935) 1.953 2.371 ( 6.021 0.000 -4.962) 7.802 2.407 ( -6.271 0.000 -7.703) 9.933 2.431 ( 6.577 0.000 -2.188) 6.931 2.460 ( 0.570 0.000 -5.758) 5.787 2.484 ( 8.353 0.000 -3.813) 9.182 2.543 ( 7.723 0.000 3.026) 8.295 2.545 ( 1.077 0.000 -5.248) 5.357 2.566 ( 9.238 0.000 4.175) 10.138 2.630 ( -3.957 0.000 2.759) 4.824 2.652 ( -6.286 0.000 5.451) 8.321 2.742 ( -0.339 0.000 4.754) 4.766 2.755 ( -6.697 0.000 3.106) 7.382 2.766 ( -9.092 0.000 2.070) 9.325 2.846 ( 0.138 0.000 9.145) 9.146 2.852 ( 0.453 0.000 0.005) 0.453 2.856 ( -1.811 0.000 4.227) 4.599 2.933 ( -1.092 0.000 -0.706) 1.301 2.982 ( 1.749 0.000 5.411) 5.687 3.014 ( -2.605 0.000 2.044) 3.311 3.032 ( -5.329 0.000 4.793) 7.167 3.043 ( 1.927 0.000 1.140) 2.239 3.072 ( -0.953 0.000 5.868) 5.945 3.160 ( -3.267 0.000 9.115) 9.683 3.179 ( -1.902 0.000 13.174) 13.310 3.278 ( 4.991 0.000 5.272) 7.260 3.345 ( 6.858 0.000 3.685) 7.785 3.393 ( -3.959 0.000 3.266) 5.132 3.414 ( -3.239 0.000 -0.194) 3.245 3.418 ( -3.474 0.000 -14.316) 14.731 3.493 ( 1.901 0.000 1.471) 2.404 3.555 ( 2.021 0.000 1.977) 2.827 3.676 ( 2.252 0.000 5.266) 5.727 3.728 ( -1.877 0.000 -2.165) 2.865 3.739 ( 3.422 0.000 -1.075) 3.587 3.844 ( -1.240 0.000 0.620) 1.386 3.958 ( -4.513 0.000 0.143) 4.516 3.966 ( -0.560 0.000 1.528) 1.627 4.029 ( 1.063 0.000 1.211) 1.611 4.045 ( 3.602 0.000 3.379) 4.939 4.069 ( 0.245 0.000 -2.025) 2.040 4.133 ( -0.965 0.000 -3.949) 4.065 4.171 ( -1.153 0.000 -1.430) 1.837 4.189 ( -3.790 0.000 -3.721) 5.311 4.226 ( -2.103 0.000 -2.687) 3.412 4.299 ( -1.416 0.000 -3.887) 4.137 4.436 ( 1.363 0.000 0.485) 1.447 4.466 ( 0.847 0.000 -0.163) 0.863 4.520 ( 2.361 0.000 -1.150) 2.626 4.521 ( -0.480 0.000 -1.108) 1.207 4.552 ( 3.391 0.000 -3.003) 4.530 4.628 ( -4.515 0.000 2.108) 4.983 4.628 ( 2.493 0.000 -2.089) 3.252 4.641 ( 3.326 0.000 -4.332) 5.461 4.670 ( -2.139 0.000 -0.084) 2.140 4.704 ( -3.205 0.000 1.135) 3.400 4.721 ( -5.402 0.000 4.565) 7.072 4.769 ( 0.235 0.000 -3.058) 3.067 4.802 ( -1.228 0.000 0.028) 1.228 4.861 ( -1.591 0.000 -5.215) 5.452 4.896 ( -0.896 0.000 -4.669) 4.754 4.901 ( -1.043 0.000 -6.397) 6.482 5.202 ( 0.222 0.000 -0.950) 0.975 5.255 ( -0.781 0.000 -0.518) 0.938 5.274 ( -0.054 0.000 0.791) 0.793 5.275 ( 0.843 0.000 -1.735) 1.929 5.529 ( 1.119 0.000 -0.877) 1.421 5.549 ( 0.002 0.000 -0.594) 0.594 5.570 ( 0.347 0.000 -0.553) 0.653 5.611 ( -0.241 0.000 -0.320) 0.401 6.443 ( -1.942 0.000 0.109) 1.945 6.469 ( -0.820 0.000 -1.388) 1.612 6.503 ( -2.722 0.000 -2.269) 3.544 6.512 ( -1.206 0.000 -2.890) 3.132 6.812 ( 1.383 0.000 -0.952) 1.679 6.848 ( -0.038 0.000 1.372) 1.372 6.855 ( 1.088 0.000 -2.896) 3.094 6.873 ( -0.495 0.000 0.490) 0.696 7.105 ( -2.972 0.000 4.734) 5.590 7.128 ( 2.064 0.000 -4.102) 4.592 7.130 ( -3.953 0.000 3.183) 5.076 7.142 ( 1.252 0.000 -4.258) 4.439 7.420 ( 0.945 0.000 1.440) 1.722 7.439 ( 1.398 0.000 0.134) 1.404 7.665 ( 3.744 0.000 4.739) 6.039 7.679 ( 4.679 0.000 3.300) 5.725 8.008 ( -1.116 0.000 1.793) 2.112 8.043 ( 0.612 0.000 -2.407) 2.483 8.057 ( -0.232 0.000 1.976) 1.990 8.080 ( 0.964 0.000 -1.121) 1.478 ======================= Grid point 70 (44/50) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 1.580 0.906 16.266) 16.368 1.460 ( 4.651 -8.347 19.917) 22.091 1.593 ( -3.750 7.519 1.550) 8.544 1.639 ( -1.978 2.154 -2.914) 4.128 1.739 ( -6.169 3.885 9.956) 12.340 1.758 ( -9.437 3.906 -2.253) 10.459 1.827 ( -10.780 -3.369 16.105) 19.671 1.887 ( -3.675 -7.856 -12.295) 15.046 1.974 ( -4.464 1.792 5.426) 7.251 2.016 ( 5.111 -2.169 0.569) 5.581 2.029 ( -0.888 -3.088 2.908) 4.334 2.056 ( 1.733 -5.410 -1.834) 5.969 2.098 ( -3.186 3.787 0.415) 4.967 2.175 ( -1.522 -2.953 -5.334) 6.284 2.215 ( 1.536 3.738 -7.252) 8.302 2.249 ( 4.338 0.463 -9.654) 10.594 2.274 ( -6.135 4.500 0.250) 7.613 2.288 ( -0.871 6.157 5.244) 8.134 2.359 ( -2.296 1.541 -2.543) 3.757 2.392 ( -1.340 -2.062 -0.525) 2.515 2.428 ( -0.025 -1.170 4.780) 4.921 2.441 ( -4.671 1.714 0.062) 4.976 2.480 ( -2.127 -3.428 2.129) 4.562 2.536 ( 0.714 -2.684 -0.161) 2.782 2.545 ( 3.882 1.757 -2.268) 4.827 2.564 ( 2.729 -0.652 -0.093) 2.807 2.607 ( -0.124 -0.670 2.485) 2.576 2.652 ( 8.534 -2.312 -2.215) 9.115 2.713 ( 6.548 1.508 7.529) 10.092 2.742 ( -5.422 -1.148 5.163) 7.574 2.771 ( 10.344 0.647 -0.405) 10.372 2.817 ( 0.212 -1.278 2.437) 2.760 2.848 ( 0.665 3.618 1.728) 4.064 2.860 ( 5.608 -0.213 2.740) 6.245 2.901 ( 1.888 3.850 -2.054) 4.754 2.943 ( 4.510 -0.563 -1.323) 4.734 2.980 ( 5.188 -0.275 -0.673) 5.239 3.005 ( 1.666 -2.146 1.706) 3.208 3.033 ( -0.010 0.313 -0.459) 0.556 3.059 ( 1.977 -2.369 -3.024) 4.321 3.096 ( -0.053 1.844 2.344) 2.983 3.157 ( 1.229 -4.316 6.803) 8.150 3.268 ( -0.425 5.855 -13.664) 14.872 3.326 ( 1.664 -0.681 -4.542) 4.885 3.384 ( 4.403 -1.905 0.097) 4.798 3.410 ( 0.672 -1.327 -2.070) 2.549 3.428 ( -0.364 -2.200 -1.035) 2.458 3.491 ( -1.605 -4.581 -6.898) 8.434 3.596 ( 3.197 3.882 1.631) 5.287 3.622 ( 1.694 0.521 -0.934) 2.003 3.710 ( 3.519 3.664 2.160) 5.520 3.718 ( 3.705 2.987 3.945) 6.182 3.740 ( -1.515 -1.058 -0.335) 1.878 3.806 ( 1.482 2.107 0.710) 2.672 3.808 ( 0.041 -3.021 1.062) 3.202 3.859 ( -0.519 -2.186 -2.856) 3.634 4.077 ( -2.623 2.544 -2.165) 4.248 4.093 ( -0.617 1.631 -2.618) 3.146 4.108 ( 1.050 1.952 0.903) 2.394 4.133 ( -0.330 0.249 0.198) 0.458 4.150 ( 0.179 -1.716 2.868) 3.347 4.187 ( -1.653 -3.502 -3.078) 4.947 4.212 ( 1.350 -0.043 1.138) 1.766 4.222 ( 0.921 -0.786 0.834) 1.471 4.452 ( -0.647 1.430 0.861) 1.790 4.467 ( -2.217 0.003 -0.091) 2.219 4.494 ( -1.451 0.043 1.625) 2.179 4.511 ( -2.568 -1.488 -0.700) 3.049 4.569 ( -5.144 0.077 4.316) 6.715 4.573 ( -6.197 -0.251 4.987) 7.959 4.605 ( -0.130 0.992 0.116) 1.008 4.621 ( 1.556 -0.730 -0.625) 1.829 4.637 ( -3.231 0.386 1.024) 3.411 4.644 ( -3.648 -0.002 1.771) 4.055 4.710 ( -0.996 3.301 -0.070) 3.449 4.770 ( 1.917 -2.249 -4.452) 5.344 4.794 ( 2.555 -0.303 -3.281) 4.169 4.802 ( 0.844 -1.412 -1.888) 2.504 4.838 ( 0.557 0.834 -4.265) 4.381 4.853 ( 0.440 -0.597 -3.604) 3.679 5.234 ( -0.456 1.367 0.088) 1.444 5.239 ( 0.113 1.607 -0.338) 1.646 5.257 ( -1.354 -1.057 0.554) 1.805 5.271 ( 1.027 -1.481 -0.760) 1.956 5.544 ( 0.108 0.204 -0.391) 0.454 5.547 ( 0.666 -0.007 -0.522) 0.846 5.583 ( 0.332 0.236 -0.050) 0.411 5.590 ( -0.682 -0.377 -0.600) 0.983 6.429 ( -0.343 0.544 0.480) 0.803 6.440 ( -0.486 -0.529 -0.175) 0.739 6.458 ( -0.705 0.443 -1.395) 1.625 6.467 ( -0.605 -0.413 -1.856) 1.996 6.826 ( -2.216 0.157 1.025) 2.447 6.832 ( -2.347 -0.350 0.639) 2.458 6.846 ( 0.416 0.675 0.154) 0.808 6.856 ( 0.797 -0.432 -0.738) 1.169 7.082 ( -3.183 -0.012 4.025) 5.132 7.083 ( -3.459 -0.075 3.668) 5.042 7.159 ( 3.340 0.286 -3.493) 4.841 7.165 ( 3.576 -0.266 -3.646) 5.114 7.451 ( 1.028 0.403 0.148) 1.114 7.459 ( 1.262 -0.458 -0.682) 1.506 7.739 ( 1.094 0.385 1.262) 1.714 7.746 ( 1.297 -0.322 0.435) 1.405 8.006 ( -0.988 0.729 1.421) 1.878 8.025 ( -0.253 -1.172 0.000) 1.199 8.075 ( 0.061 0.759 0.203) 0.788 8.086 ( 0.520 -0.448 -0.568) 0.891 ======================= Grid point 71 (45/50) ======================= q-point: ( 0.14 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -3.989 3.983 5.090) 7.596 1.523 ( -4.242 2.038 2.542) 5.349 1.574 ( -6.130 -0.503 1.497) 6.330 1.592 ( -1.779 0.775 5.172) 5.524 1.645 ( -0.229 1.548 8.780) 8.919 1.705 ( -3.855 -4.614 -2.749) 6.611 1.750 ( -8.129 -0.451 11.222) 13.864 1.816 ( -10.049 0.605 12.232) 15.842 1.846 ( -5.257 -6.306 9.795) 12.781 1.891 ( -3.729 -4.804 8.513) 10.462 1.991 ( -9.929 0.748 -0.281) 9.961 2.040 ( -5.784 -2.863 2.255) 6.836 2.084 ( -2.590 4.401 0.687) 5.153 2.126 ( -8.798 8.672 -7.750) 14.583 2.174 ( -1.881 6.867 -6.285) 9.497 2.196 ( 4.173 -5.080 -1.122) 6.669 2.234 ( 0.666 1.841 1.422) 2.420 2.276 ( -8.176 -4.341 -3.219) 9.800 2.299 ( 0.696 -3.543 2.875) 4.616 2.304 ( 1.553 -4.646 -5.513) 7.374 2.385 ( 0.838 1.467 3.214) 3.631 2.395 ( 1.556 1.302 -1.105) 2.310 2.471 ( -4.949 2.543 -1.098) 5.671 2.502 ( -3.549 -3.044 -0.880) 4.758 2.586 ( 1.828 3.638 -2.103) 4.583 2.594 ( -6.489 2.321 -1.840) 7.133 2.622 ( 2.800 2.986 -2.417) 4.754 2.672 ( -2.350 2.260 0.346) 3.279 2.719 ( -3.398 -5.807 -1.072) 6.813 2.761 ( 1.172 -4.021 -0.329) 4.201 2.848 ( 1.776 1.597 -4.559) 5.147 2.886 ( 4.999 2.673 -3.776) 6.811 2.926 ( 2.883 -0.931 -2.048) 3.657 2.934 ( 1.451 -3.151 -2.976) 4.571 2.967 ( 5.489 2.046 0.281) 5.865 2.984 ( 2.377 0.023 -2.034) 3.129 3.037 ( 3.756 0.854 -7.760) 8.664 3.051 ( 4.855 0.193 -3.644) 6.074 3.085 ( 0.656 2.981 -0.820) 3.161 3.094 ( 3.864 0.816 -3.679) 5.397 3.170 ( 6.821 4.651 0.868) 8.302 3.224 ( 5.414 -0.797 -2.149) 5.879 3.295 ( 6.251 -4.259 3.945) 8.531 3.305 ( 3.019 -6.617 -11.165) 13.325 3.363 ( 2.752 1.605 -2.964) 4.351 3.445 ( 2.534 -3.974 -2.510) 5.340 3.461 ( 2.259 -1.469 -0.123) 2.697 3.492 ( 2.963 -2.641 0.065) 3.970 3.579 ( -0.103 4.395 -7.076) 8.331 3.674 ( 1.728 -3.748 -3.821) 5.624 3.727 ( 1.215 5.715 -4.206) 7.199 3.736 ( -0.897 2.873 -5.500) 6.270 3.768 ( 0.409 0.370 -3.265) 3.311 3.820 ( 4.223 -2.917 2.802) 5.847 3.872 ( 3.264 1.263 -1.923) 3.993 3.888 ( 6.119 0.852 -0.388) 6.190 4.041 ( -1.287 1.762 1.790) 2.822 4.075 ( -0.698 -0.775 3.490) 3.642 4.103 ( -2.200 0.917 -2.649) 3.564 4.118 ( -1.209 -0.463 -0.683) 1.464 4.152 ( 0.577 1.181 1.139) 1.739 4.179 ( -0.165 0.099 1.233) 1.248 4.223 ( 1.051 -0.222 -0.560) 1.211 4.230 ( -0.875 -1.608 -0.505) 1.899 4.383 ( -6.056 0.323 4.576) 7.597 4.411 ( -7.014 -2.367 4.382) 8.602 4.466 ( -2.745 2.558 4.899) 6.171 4.499 ( -1.847 -1.009 3.079) 3.730 4.505 ( -5.670 0.028 6.855) 8.896 4.519 ( -4.324 -1.401 4.333) 6.280 4.554 ( -1.124 2.362 -1.089) 2.833 4.601 ( -1.173 -1.961 1.603) 2.791 4.666 ( 2.931 1.492 2.317) 4.023 4.687 ( 3.039 -0.805 4.368) 5.382 4.724 ( 0.629 1.673 4.236) 4.598 4.767 ( 0.585 -2.449 1.635) 3.002 4.823 ( 2.691 0.487 -3.563) 4.491 4.828 ( 3.124 -0.119 -3.907) 5.004 4.843 ( 1.950 0.391 -1.559) 2.527 4.852 ( 1.405 -0.551 -2.097) 2.583 5.210 ( -1.062 1.335 0.338) 1.739 5.235 ( -1.255 -1.193 0.910) 1.957 5.258 ( 0.745 1.303 0.098) 1.504 5.281 ( 0.407 -1.069 -0.537) 1.263 5.530 ( -0.996 0.635 -0.568) 1.311 5.543 ( -0.464 -0.793 -0.884) 1.275 5.580 ( 0.022 0.892 -0.115) 0.900 5.595 ( 0.576 -0.707 0.299) 0.960 6.441 ( 0.670 0.358 1.196) 1.417 6.447 ( 0.979 -0.182 0.486) 1.108 6.464 ( 1.344 0.276 0.930) 1.657 6.471 ( 1.628 -0.395 0.417) 1.726 6.783 ( -3.111 0.331 2.359) 3.918 6.790 ( -2.974 -0.382 2.654) 4.004 6.861 ( 0.138 0.484 0.523) 0.726 6.870 ( 0.312 -0.432 0.327) 0.625 7.050 ( -2.649 0.188 3.658) 4.520 7.054 ( -2.551 -0.237 3.813) 4.594 7.197 ( 3.275 0.305 -3.426) 4.749 7.202 ( 3.409 -0.277 -4.003) 5.265 7.459 ( 0.395 0.319 -1.708) 1.782 7.466 ( 0.707 -0.370 -2.654) 2.771 7.730 ( -1.832 0.296 -1.601) 2.451 7.736 ( -1.591 -0.246 -2.232) 2.752 8.000 ( -0.995 0.753 1.960) 2.323 8.019 ( -0.628 -1.358 0.887) 1.739 8.070 ( -0.351 1.033 -0.360) 1.149 8.084 ( -0.081 -0.522 -0.879) 1.025 ======================= Grid point 72 (46/50) ======================= q-point: ( 0.29 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -4.867 -1.322 -1.075) 5.157 1.411 ( -3.817 -4.032 -6.319) 8.412 1.538 ( -3.095 -0.477 5.267) 6.127 1.564 ( -3.424 -1.628 5.484) 6.667 1.604 ( -8.120 0.515 3.108) 8.710 1.654 ( -6.706 -2.535 3.567) 8.007 1.669 ( -2.858 -0.657 5.657) 6.372 1.689 ( -4.249 -1.624 9.634) 10.654 1.800 ( -8.850 2.063 0.113) 9.088 1.856 ( -7.381 -2.689 -1.936) 8.090 1.877 ( -5.816 8.214 -5.253) 11.353 1.951 ( 0.909 6.014 2.034) 6.413 2.021 ( 2.076 8.542 5.797) 10.530 2.057 ( -5.906 0.490 -4.307) 7.326 2.124 ( -3.021 5.636 -2.589) 6.899 2.139 ( -0.789 1.312 5.983) 6.176 2.198 ( -3.578 -3.879 -7.154) 8.890 2.230 ( -4.473 -0.842 -0.097) 4.552 2.271 ( 1.235 -1.127 4.479) 4.781 2.324 ( -1.016 1.842 -5.832) 6.200 2.343 ( -2.569 -6.873 -0.436) 7.350 2.376 ( -1.975 2.412 -1.438) 3.433 2.409 ( -1.877 -0.303 0.285) 1.923 2.454 ( 2.003 -5.935 3.539) 7.195 2.547 ( 1.069 -0.462 -1.623) 1.998 2.582 ( -1.295 -3.480 -1.221) 3.909 2.619 ( 5.104 3.349 0.271) 6.110 2.675 ( -0.428 -2.804 -1.753) 3.334 2.715 ( 1.610 -4.754 -0.159) 5.021 2.736 ( -2.708 -5.505 -3.245) 6.940 2.817 ( 1.840 -1.523 0.403) 2.422 2.841 ( -1.439 -3.755 -5.541) 6.846 2.909 ( -2.816 3.780 -0.998) 4.818 2.932 ( 0.350 3.400 -7.855) 8.566 2.962 ( -0.131 0.049 -1.660) 1.666 2.998 ( 0.589 -1.637 -6.019) 6.266 3.028 ( -1.795 2.743 -2.140) 3.915 3.065 ( 0.266 0.824 -2.663) 2.801 3.127 ( 2.567 1.407 -5.252) 6.013 3.137 ( 5.760 -0.176 -4.607) 7.378 3.250 ( -0.750 2.257 -5.821) 6.288 3.333 ( 8.939 -1.988 -7.463) 11.813 3.357 ( -3.014 0.402 -2.185) 3.745 3.396 ( 3.763 8.419 8.471) 12.522 3.405 ( 6.316 -1.071 -4.530) 7.846 3.456 ( 1.997 -0.527 -1.954) 2.843 3.504 ( 1.424 4.310 -7.661) 8.905 3.547 ( 4.491 1.078 2.340) 5.178 3.572 ( 1.403 0.466 -5.687) 5.876 3.598 ( -1.968 -2.903 -3.259) 4.787 3.686 ( -2.758 0.094 -2.264) 3.569 3.694 ( -0.682 -1.782 -0.354) 1.941 3.829 ( 5.623 1.268 -7.255) 9.267 3.878 ( 4.327 0.220 -2.686) 5.098 3.949 ( 0.894 -2.221 -0.145) 2.399 3.958 ( 2.782 -2.387 -4.515) 5.816 3.995 ( -1.638 -2.663 -0.265) 3.137 4.017 ( 0.291 -3.599 -2.337) 4.301 4.108 ( 2.855 1.702 -4.162) 5.326 4.122 ( 1.871 -0.545 0.082) 1.951 4.151 ( -3.251 2.415 4.793) 6.275 4.201 ( -3.229 -1.163 5.683) 6.639 4.226 ( 2.307 1.257 3.520) 4.392 4.262 ( 1.365 -1.309 3.385) 3.877 4.336 ( -3.411 3.636 5.294) 7.272 4.380 ( -1.003 -0.331 6.161) 6.251 4.404 ( -6.125 1.704 5.395) 8.338 4.434 ( -5.483 0.286 8.360) 10.002 4.468 ( -2.437 1.583 0.937) 3.053 4.504 ( 0.099 -2.168 1.412) 2.589 4.556 ( 0.100 0.794 -0.666) 1.041 4.594 ( -0.840 -3.003 0.020) 3.119 4.745 ( 3.219 2.385 0.961) 4.120 4.780 ( 2.917 -0.971 2.184) 3.771 4.790 ( 1.681 -0.119 6.659) 6.869 4.809 ( 1.435 -1.754 3.584) 4.240 4.843 ( 1.965 0.063 -3.343) 3.878 4.844 ( 0.901 -0.151 -1.923) 2.129 4.872 ( 1.495 0.640 0.998) 1.908 4.875 ( 1.388 0.266 0.898) 1.674 5.207 ( 0.242 1.150 0.773) 1.407 5.229 ( -0.145 -1.152 1.025) 1.549 5.264 ( 0.080 1.046 0.044) 1.050 5.281 ( 0.247 -0.706 -0.390) 0.843 5.512 ( -0.317 0.805 0.132) 0.875 5.531 ( -0.045 -1.255 -0.163) 1.267 5.581 ( 0.100 1.334 -0.121) 1.343 5.602 ( -0.019 -0.873 -0.137) 0.883 6.467 ( 0.692 0.541 1.748) 1.957 6.478 ( 1.220 -0.609 1.343) 1.914 6.505 ( 1.763 0.770 1.370) 2.362 6.520 ( 2.248 -0.695 1.456) 2.767 6.753 ( -2.372 0.606 3.557) 4.318 6.765 ( -2.344 -0.638 4.099) 4.764 6.843 ( -1.905 0.628 -0.573) 2.086 6.855 ( -1.726 -0.624 -0.469) 1.894 7.057 ( 0.120 0.292 5.001) 5.010 7.063 ( 0.151 -0.333 5.241) 5.254 7.228 ( 2.876 0.480 -3.770) 4.766 7.237 ( 3.135 -0.383 -3.184) 4.485 7.441 ( -0.431 0.264 -2.776) 2.821 7.447 ( -0.059 -0.341 -3.859) 3.874 7.651 ( -3.923 0.320 -4.387) 5.894 7.657 ( -3.666 -0.293 -4.892) 6.120 8.001 ( -0.673 0.635 2.584) 2.745 8.017 ( -0.665 -1.122 2.014) 2.400 8.064 ( 0.269 0.907 -0.834) 1.261 8.076 ( 0.160 -0.449 -1.069) 1.170 ======================= Grid point 73 (47/50) ======================= q-point: (-0.57 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -0.183 3.130 -4.737) 5.681 1.343 ( -4.973 0.653 -1.162) 5.148 1.420 ( -0.970 -1.252 -1.613) 2.260 1.489 ( -4.694 -6.917 0.404) 8.369 1.591 ( -3.291 8.215 -2.685) 9.248 1.602 ( -1.978 7.177 -4.669) 8.788 1.662 ( -0.021 0.097 4.491) 4.492 1.690 ( 1.477 -2.262 0.935) 2.859 1.743 ( 1.378 0.597 1.431) 2.074 1.797 ( 1.555 -2.830 5.927) 6.749 1.828 ( 3.694 -1.018 2.352) 4.495 1.904 ( 2.173 -1.178 -3.905) 4.621 1.930 ( -4.260 -7.781 -2.964) 9.353 1.976 ( -3.249 0.223 -1.476) 3.576 2.026 ( -4.141 0.765 -8.872) 9.821 2.080 ( -4.041 -3.139 -2.069) 5.520 2.136 ( -6.449 0.748 -7.048) 9.583 2.169 ( -2.796 0.656 0.727) 2.963 2.222 ( -0.726 -0.598 -3.601) 3.721 2.300 ( -4.419 -5.289 -3.751) 7.847 2.337 ( 5.995 11.569 6.579) 14.597 2.408 ( 5.529 9.815 9.064) 14.459 2.497 ( -2.161 0.579 -3.398) 4.068 2.525 ( 3.554 -0.173 3.135) 4.742 2.566 ( 1.134 -6.206 2.025) 6.626 2.608 ( 4.390 -5.895 1.226) 7.452 2.648 ( 0.325 0.577 -1.798) 1.916 2.662 ( -0.540 -0.617 -0.932) 1.242 2.693 ( 1.204 -1.049 1.258) 2.033 2.720 ( -0.551 -0.514 2.083) 2.215 2.816 ( 0.145 -2.907 2.114) 3.598 2.840 ( -2.986 2.808 -3.697) 5.520 2.856 ( -3.485 -3.557 -2.194) 5.442 2.893 ( 3.060 2.210 1.730) 4.152 2.948 ( -0.915 -1.196 -1.424) 2.073 2.972 ( 0.346 -1.642 -4.489) 4.793 3.017 ( -0.035 3.541 2.523) 4.348 3.064 ( -3.838 -0.432 0.091) 3.864 3.090 ( 2.366 0.575 -2.131) 3.235 3.128 ( -2.743 -4.801 -0.879) 5.599 3.162 ( -2.470 5.904 -4.815) 8.009 3.258 ( -3.787 0.812 -3.484) 5.209 3.350 ( -0.736 2.376 -3.505) 4.298 3.414 ( 1.857 3.572 -5.495) 6.812 3.444 ( -7.031 -0.578 -0.088) 7.055 3.461 ( -5.107 1.552 -1.692) 5.600 3.503 ( 2.480 -2.567 -3.241) 4.821 3.532 ( -0.417 -1.619 -4.076) 4.405 3.559 ( -1.735 -1.313 -1.319) 2.544 3.577 ( 0.504 -1.331 -2.680) 3.034 3.618 ( -1.277 1.777 0.915) 2.372 3.665 ( -1.162 -3.454 -1.885) 4.102 3.878 ( 0.839 5.224 4.173) 6.738 3.921 ( 2.799 5.549 -0.391) 6.227 3.944 ( -2.326 0.259 -0.340) 2.365 3.978 ( 1.259 -1.793 2.088) 3.027 3.999 ( 3.173 -3.831 -1.151) 5.106 4.044 ( -1.666 -0.630 1.038) 2.062 4.122 ( 4.948 -0.702 -0.561) 5.029 4.128 ( -1.227 0.466 1.879) 2.292 4.204 ( -0.679 -0.352 2.204) 2.333 4.224 ( 2.310 -1.754 0.913) 3.041 4.263 ( 0.105 0.347 -0.582) 0.685 4.298 ( 0.073 -2.981 2.037) 3.612 4.311 ( 3.233 2.244 0.862) 4.028 4.354 ( -0.407 -1.075 2.234) 2.513 4.408 ( -1.508 2.871 1.549) 3.593 4.467 ( 2.939 1.834 1.090) 3.632 4.471 ( 1.499 0.028 3.726) 4.016 4.509 ( 0.232 -3.043 -1.074) 3.235 4.547 ( 0.246 0.731 -2.227) 2.357 4.573 ( 0.055 -1.444 -1.729) 2.253 4.789 ( 0.680 1.430 0.594) 1.691 4.813 ( 0.234 -0.427 -0.357) 0.603 4.820 ( -1.025 0.045 0.840) 1.326 4.830 ( -0.793 -0.494 -0.339) 0.994 4.868 ( 1.061 0.560 2.797) 3.044 4.883 ( 1.469 -0.977 3.251) 3.699 4.906 ( 1.446 0.610 0.741) 1.736 4.913 ( 1.733 -0.161 0.728) 1.887 5.221 ( 0.590 0.750 0.526) 1.090 5.234 ( 0.019 -0.450 0.123) 0.467 5.275 ( 0.804 0.708 0.598) 1.226 5.290 ( 0.702 -0.656 -0.121) 0.969 5.526 ( 1.225 0.708 1.085) 1.783 5.543 ( 0.881 -1.027 0.622) 1.489 5.579 ( -0.224 0.844 -0.515) 1.014 5.591 ( -0.661 -0.498 -0.950) 1.260 6.490 ( 0.445 0.520 1.800) 1.926 6.503 ( 0.385 -0.837 1.462) 1.728 6.536 ( 0.531 1.009 0.337) 1.189 6.553 ( 0.164 -0.777 0.280) 0.842 6.747 ( -1.267 0.598 3.744) 3.998 6.760 ( -1.486 -0.835 3.976) 4.326 6.810 ( -0.143 1.158 -0.829) 1.431 6.830 ( 0.421 -0.854 -1.153) 1.495 7.108 ( 0.250 0.611 5.977) 6.013 7.122 ( 0.850 -0.809 6.050) 6.163 7.247 ( 1.995 1.158 -3.877) 4.511 7.267 ( 2.315 -0.954 -3.063) 3.956 7.412 ( -0.467 0.081 -1.266) 1.351 7.414 ( -0.420 -0.120 -2.324) 2.365 7.535 ( -3.834 0.367 -5.561) 6.764 7.542 ( -3.606 -0.356 -5.965) 6.979 8.011 ( -0.478 0.553 2.714) 2.811 8.024 ( -0.405 -0.859 2.334) 2.520 8.066 ( 0.634 0.619 -1.189) 1.483 8.074 ( 0.492 -0.322 -1.201) 1.338 ======================= Grid point 74 (48/50) ======================= q-point: (-0.43 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -6.379 10.897 2.854) 12.946 1.347 ( 0.210 11.278 2.302) 11.512 1.424 ( 5.341 5.564 -0.187) 7.715 1.444 ( -1.877 -10.274 -1.310) 10.526 1.560 ( 5.121 -2.059 -1.425) 5.700 1.588 ( 5.397 -1.229 -3.401) 6.497 1.765 ( 2.854 -4.406 -1.310) 5.411 1.782 ( 6.250 -3.095 -3.983) 8.031 1.800 ( 8.080 -4.160 -0.606) 9.108 1.831 ( 1.886 -1.600 -3.590) 4.359 1.879 ( 1.234 4.257 -1.025) 4.549 1.905 ( 5.787 4.019 -1.458) 7.195 1.924 ( 2.997 -1.722 -6.446) 7.315 1.946 ( 4.912 -4.384 -4.488) 7.968 2.050 ( -1.769 -7.527 -4.938) 9.175 2.071 ( 3.262 -2.878 -0.338) 4.363 2.078 ( 1.928 -0.639 0.831) 2.194 2.140 ( 6.874 -7.857 4.184) 11.247 2.202 ( 3.516 -1.701 -3.123) 5.001 2.209 ( 2.917 -3.400 -3.138) 5.469 2.396 ( -2.614 9.925 5.824) 11.801 2.439 ( -5.897 8.607 1.019) 10.483 2.483 ( -1.361 7.132 -1.339) 7.383 2.528 ( -2.720 2.495 -0.598) 3.739 2.610 ( -1.153 2.543 1.855) 3.352 2.632 ( 0.913 -0.975 0.376) 1.388 2.667 ( -0.550 2.800 0.948) 3.007 2.675 ( -1.414 3.552 -0.502) 3.856 2.728 ( -0.879 1.155 2.323) 2.739 2.751 ( -2.427 4.348 -4.556) 6.750 2.786 ( -2.894 3.130 4.173) 5.965 2.800 ( -0.860 -6.747 -1.049) 6.882 2.826 ( 2.086 -7.163 0.224) 7.464 2.843 ( 3.112 -1.743 2.950) 4.629 2.938 ( -5.252 -1.327 -0.700) 5.462 2.955 ( -2.043 -4.154 0.297) 4.639 2.984 ( -1.060 -1.584 4.482) 4.871 3.006 ( -6.139 -5.334 2.944) 8.648 3.097 ( -1.696 1.410 -1.639) 2.748 3.112 ( 1.373 0.841 1.237) 2.030 3.148 ( -2.307 1.571 -1.331) 3.092 3.171 ( -2.545 -0.699 3.591) 4.456 3.261 ( -8.226 6.412 4.736) 11.454 3.316 ( -6.613 3.295 4.417) 8.608 3.356 ( -0.819 0.412 5.200) 5.281 3.420 ( -1.914 -4.828 -1.006) 5.290 3.461 ( 1.420 -1.745 -2.573) 3.418 3.472 ( -6.436 0.036 1.415) 6.590 3.523 ( -0.677 4.859 2.734) 5.616 3.571 ( -1.826 0.584 1.086) 2.203 3.626 ( -0.457 -6.036 0.186) 6.057 3.657 ( 3.804 -7.872 -0.116) 8.743 3.834 ( -6.295 3.859 3.248) 8.066 3.883 ( -11.372 4.834 6.298) 13.870 3.936 ( -0.859 -1.512 -0.466) 1.800 3.991 ( -1.193 1.077 1.436) 2.155 4.033 ( 3.347 5.280 -0.457) 6.268 4.072 ( -1.693 -1.571 1.545) 2.779 4.124 ( 1.844 0.856 -4.950) 5.351 4.161 ( 3.883 1.725 -1.001) 4.366 4.208 ( 2.046 -0.049 -4.118) 4.598 4.260 ( -2.516 2.070 0.247) 3.268 4.278 ( 1.719 -4.717 3.223) 5.966 4.310 ( -0.509 -4.439 0.091) 4.469 4.382 ( 6.163 0.123 -4.595) 7.688 4.396 ( 5.367 0.581 -3.067) 6.209 4.447 ( 4.751 1.229 -1.528) 5.139 4.498 ( 0.667 -0.213 -0.457) 0.836 4.512 ( 1.998 -1.494 -2.794) 3.746 4.524 ( 1.064 -0.306 -1.221) 1.648 4.553 ( 2.188 1.939 -1.998) 3.541 4.585 ( 4.553 -1.810 -4.676) 6.773 4.782 ( -2.217 0.831 2.238) 3.258 4.794 ( -2.074 0.792 0.358) 2.249 4.799 ( -2.332 -0.397 2.374) 3.351 4.810 ( -1.658 -0.426 1.034) 2.000 4.887 ( -0.474 1.613 0.860) 1.889 4.915 ( 0.686 -1.296 0.014) 1.467 4.938 ( 1.446 0.036 -0.992) 1.754 4.940 ( 1.657 -0.275 -1.995) 2.608 5.235 ( 0.364 0.527 -0.719) 0.963 5.236 ( 0.756 0.342 -0.046) 0.831 5.287 ( -0.105 0.113 0.072) 0.171 5.295 ( 0.128 -0.629 -1.104) 1.277 5.554 ( -0.527 0.307 -1.114) 1.270 5.558 ( 0.395 -0.075 -0.158) 0.432 5.572 ( 0.884 0.119 0.465) 1.006 5.576 ( 0.395 -0.281 -0.667) 0.825 6.504 ( -0.567 0.365 1.375) 1.531 6.511 ( -0.683 -0.254 0.138) 0.742 6.546 ( 0.087 -0.028 -0.485) 0.494 6.548 ( 0.936 -0.295 0.472) 1.089 6.760 ( 0.274 0.535 2.734) 2.800 6.773 ( 0.364 -0.815 2.777) 2.917 6.819 ( 1.296 1.580 -1.475) 2.521 6.845 ( 1.925 -1.127 -2.629) 3.447 7.139 ( -1.578 1.071 5.191) 5.530 7.164 ( -1.058 -1.526 4.663) 5.019 7.236 ( -0.096 1.279 -4.217) 4.408 7.256 ( -0.462 -0.833 -5.476) 5.558 7.423 ( 0.583 0.067 0.888) 1.064 7.424 ( 1.044 0.015 1.492) 1.821 7.449 ( -0.373 0.284 -0.912) 1.025 7.455 ( -0.736 -0.347 -2.384) 2.519 8.019 ( -0.681 0.552 2.298) 2.460 8.033 ( -0.465 -0.830 1.850) 2.080 8.067 ( 0.533 0.533 -1.553) 1.726 8.074 ( 0.509 -0.267 -1.483) 1.590 ======================= Grid point 75 (49/50) ======================= q-point: (-0.29 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -4.495 5.469 11.684) 13.661 1.340 ( -6.237 -13.537 1.447) 14.975 1.448 ( 2.812 17.496 18.073) 25.311 1.611 ( 9.883 4.053 -0.671) 10.703 1.714 ( 6.899 -4.073 -3.139) 8.605 1.728 ( 9.880 -1.666 -0.233) 10.022 1.776 ( 5.087 2.391 -2.461) 6.136 1.816 ( 1.734 -9.157 8.235) 12.437 1.853 ( -1.858 -4.369 -7.369) 8.766 1.940 ( 10.563 1.858 -13.853) 17.520 1.950 ( 6.860 1.175 -10.049) 12.224 1.978 ( 7.299 -4.103 -7.703) 11.377 1.999 ( 11.459 -1.536 -7.424) 13.740 2.048 ( 12.724 -4.870 -0.594) 13.638 2.095 ( 3.106 4.849 1.784) 6.029 2.172 ( 9.518 2.800 0.097) 9.922 2.195 ( 7.863 3.039 0.461) 8.442 2.257 ( 4.111 -1.258 0.765) 4.367 2.286 ( 3.980 0.410 -0.590) 4.044 2.320 ( 3.190 2.713 -4.052) 5.827 2.359 ( -3.778 6.104 1.241) 7.285 2.391 ( -0.294 0.750 -1.956) 2.116 2.449 ( -3.189 -1.384 1.929) 3.976 2.478 ( -1.077 -2.014 3.152) 3.892 2.529 ( -2.144 3.296 2.116) 4.465 2.545 ( -3.639 0.449 4.889) 6.111 2.605 ( -7.399 -2.573 0.841) 7.879 2.630 ( -3.168 -4.768 -1.986) 6.059 2.637 ( -3.117 -1.290 1.533) 3.705 2.711 ( -0.577 -0.704 -2.741) 2.888 2.785 ( -6.858 -1.074 -1.459) 7.094 2.822 ( 2.020 3.277 2.478) 4.578 2.828 ( -7.047 -5.720 6.449) 11.134 2.861 ( 0.501 1.982 3.231) 3.824 2.898 ( -4.370 -4.204 1.982) 6.380 2.902 ( 0.539 -0.043 3.281) 3.325 2.944 ( -8.051 -1.255 2.392) 8.492 2.977 ( -3.328 -3.785 6.011) 7.844 3.002 ( -1.975 3.815 0.976) 4.406 3.065 ( -2.825 -1.437 0.362) 3.190 3.156 ( 1.235 5.062 3.708) 6.395 3.205 ( -2.532 0.078 5.716) 6.252 3.237 ( 3.202 3.848 5.505) 7.440 3.304 ( -1.190 1.958 5.943) 6.369 3.338 ( -5.684 6.598 5.942) 10.543 3.379 ( -0.085 0.225 5.314) 5.319 3.437 ( -4.032 -3.320 5.677) 7.714 3.487 ( -3.379 -0.265 4.822) 5.894 3.540 ( 3.195 -3.223 4.002) 6.051 3.578 ( 1.205 -1.648 1.169) 2.352 3.654 ( -2.404 2.261 0.861) 3.410 3.675 ( -0.276 4.507 2.240) 5.040 3.713 ( -4.719 -1.535 2.135) 5.402 3.834 ( 0.845 2.490 -0.023) 2.629 3.873 ( -2.927 -6.335 4.430) 8.266 3.962 ( -1.766 -7.506 -1.468) 7.850 3.977 ( -2.609 4.305 -1.915) 5.386 4.067 ( -1.578 6.872 -0.973) 7.118 4.087 ( -2.147 -4.962 -5.977) 8.060 4.173 ( 0.557 -2.659 -4.830) 5.542 4.216 ( 0.487 2.842 -0.580) 2.942 4.272 ( 0.359 -1.662 0.244) 1.718 4.301 ( 0.405 -0.113 -2.821) 2.852 4.313 ( 2.505 -0.831 -2.407) 3.572 4.428 ( -0.007 2.988 -1.270) 3.246 4.465 ( 4.314 -0.114 -3.148) 5.342 4.492 ( -0.427 -0.052 -1.614) 1.670 4.510 ( 2.520 -0.664 -1.812) 3.174 4.528 ( 3.020 1.255 -1.869) 3.767 4.557 ( 4.033 -0.968 -2.732) 4.967 4.592 ( 5.641 2.426 -6.103) 8.657 4.645 ( 4.133 -2.728 -4.642) 6.788 4.741 ( -3.112 2.061 0.939) 3.849 4.756 ( -3.115 0.222 2.860) 4.235 4.768 ( -3.528 -0.416 3.696) 5.127 4.777 ( -3.044 -1.118 1.821) 3.719 4.865 ( -1.792 1.953 -0.801) 2.769 4.902 ( -0.924 -1.805 -3.099) 3.703 4.934 ( 0.256 0.078 -3.964) 3.973 4.941 ( 0.412 -0.589 -4.337) 4.397 5.233 ( 0.197 1.458 -1.564) 2.147 5.250 ( 0.924 -0.153 -0.416) 1.025 5.276 ( -0.784 -0.291 -0.307) 0.891 5.279 ( -0.311 -0.555 -1.613) 1.734 5.533 ( -0.042 0.584 -1.685) 1.784 5.545 ( -0.140 -0.762 -1.395) 1.596 5.584 ( 0.365 0.832 -0.298) 0.956 5.598 ( 0.797 -0.598 0.354) 1.058 6.488 ( -1.728 0.487 0.371) 1.833 6.493 ( -0.937 0.043 -0.433) 1.033 6.540 ( -0.233 0.157 -1.652) 1.676 6.552 ( -0.991 -0.982 -1.432) 1.999 6.808 ( 2.402 0.585 1.917) 3.128 6.814 ( 2.020 0.475 -0.906) 2.264 6.831 ( 1.614 0.211 0.664) 1.758 6.850 ( 1.164 -1.084 -3.390) 3.745 7.131 ( -2.630 0.791 3.794) 4.684 7.149 ( -2.243 -1.141 0.564) 2.579 7.185 ( -2.278 0.408 -2.505) 3.411 7.188 ( -1.756 -0.003 -4.532) 4.860 7.406 ( 0.174 0.466 -0.254) 0.559 7.415 ( 0.384 -0.513 -0.647) 0.911 7.541 ( 4.610 0.134 6.045) 7.604 7.543 ( 4.975 -0.072 5.750) 7.604 8.020 ( -0.878 0.577 1.723) 2.019 8.034 ( -0.501 -0.923 0.911) 1.391 8.064 ( 0.423 0.618 -1.269) 1.474 8.073 ( 0.598 -0.299 -1.511) 1.653 ======================= Grid point 76 (50/50) ======================= q-point: (-0.14 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 1.066 -3.467 19.986) 20.313 1.282 ( -3.685 -7.955 10.551) 13.718 1.630 ( 0.498 8.036 4.562) 9.254 1.680 ( 1.522 6.473 1.366) 6.789 1.731 ( -1.445 2.755 1.403) 3.413 1.829 ( 4.128 2.053 4.504) 6.445 1.878 ( 4.124 -2.759 2.187) 5.422 1.906 ( 1.938 -7.896 5.441) 9.783 1.935 ( 3.397 0.121 -8.237) 8.911 1.983 ( 0.763 -2.057 -3.330) 3.987 2.003 ( -3.817 6.162 -3.063) 7.869 2.095 ( 12.280 5.816 0.536) 13.599 2.130 ( 3.424 3.008 -2.384) 5.143 2.170 ( -2.862 -0.752 -6.015) 6.703 2.190 ( 8.768 3.312 -5.023) 10.633 2.225 ( 7.993 -2.302 -3.089) 8.873 2.275 ( 2.669 -2.253 -2.532) 4.314 2.283 ( 1.911 -2.265 -6.271) 6.936 2.297 ( 5.303 -0.735 -1.804) 5.650 2.349 ( -1.647 -2.843 -3.601) 4.875 2.387 ( -3.855 0.652 -2.112) 4.443 2.444 ( 7.764 -1.557 -0.180) 7.921 2.467 ( 1.637 2.547 0.245) 3.037 2.497 ( 4.943 1.195 1.768) 5.384 2.525 ( 4.678 -0.418 0.561) 4.730 2.537 ( 6.991 -0.793 0.455) 7.050 2.609 ( -3.406 -0.903 1.251) 3.739 2.617 ( 2.820 6.100 2.960) 7.343 2.655 ( -1.485 -2.325 3.108) 4.156 2.682 ( -7.513 -2.102 3.650) 8.613 2.714 ( 3.598 -5.540 8.917) 11.097 2.715 ( -10.652 -2.750 4.527) 11.896 2.751 ( -7.950 -5.126 9.532) 13.429 2.809 ( 5.117 -6.769 1.643) 8.643 2.907 ( -0.149 2.533 3.028) 3.951 2.914 ( -0.462 2.848 0.284) 2.900 2.970 ( 0.432 1.031 3.808) 3.969 2.993 ( 3.567 -1.226 3.518) 5.158 3.009 ( -3.074 -0.317 -0.183) 3.095 3.038 ( 0.555 -1.648 1.725) 2.450 3.125 ( -5.190 0.816 5.622) 7.695 3.131 ( -6.708 0.519 5.397) 8.625 3.302 ( 0.794 3.680 2.847) 4.720 3.350 ( -1.621 1.038 1.230) 2.284 3.368 ( -0.688 1.550 6.606) 6.820 3.415 ( -1.478 6.604 4.640) 8.206 3.461 ( 2.631 -1.414 1.220) 3.226 3.475 ( 5.032 7.579 1.663) 9.248 3.487 ( -2.751 3.920 -8.542) 9.792 3.601 ( 0.740 1.324 2.667) 3.068 3.669 ( 3.110 -1.392 0.710) 3.481 3.682 ( -0.744 -0.586 0.543) 1.092 3.733 ( 1.185 -1.978 1.239) 2.618 3.811 ( -4.856 -7.947 2.564) 9.660 3.847 ( -0.908 -1.174 0.560) 1.587 3.888 ( -2.602 -6.606 -4.204) 8.251 4.027 ( 2.754 1.405 2.701) 4.105 4.049 ( 3.685 0.386 2.486) 4.462 4.092 ( 2.927 -0.040 2.092) 3.598 4.126 ( -0.630 -3.042 -2.087) 3.743 4.194 ( -2.118 3.348 -1.398) 4.201 4.221 ( -4.199 2.716 -4.349) 6.627 4.248 ( -2.243 1.065 -3.174) 4.030 4.289 ( -2.388 -1.586 -5.025) 5.785 4.442 ( 1.891 1.186 -0.614) 2.315 4.470 ( 0.001 -1.204 -0.328) 1.248 4.513 ( 1.477 1.187 -1.075) 2.178 4.533 ( 0.178 -0.250 -0.263) 0.404 4.561 ( 2.609 1.482 -2.539) 3.931 4.600 ( 1.738 -2.337 -2.302) 3.712 4.640 ( 0.591 0.920 -1.666) 1.993 4.650 ( -2.488 0.550 1.205) 2.818 4.699 ( -1.851 1.588 -0.889) 2.595 4.708 ( -4.234 0.451 2.103) 4.749 4.724 ( -1.904 0.476 1.498) 2.469 4.746 ( 1.670 -1.679 -3.375) 4.123 4.812 ( -2.439 0.953 -1.665) 3.103 4.844 ( -2.067 -1.969 -3.162) 4.260 4.889 ( -1.091 -0.393 -6.118) 6.227 4.892 ( -0.893 -0.396 -4.895) 4.992 5.224 ( 0.424 2.023 -1.188) 2.384 5.259 ( 0.603 -0.895 -1.182) 1.600 5.261 ( -0.586 -0.096 -0.220) 0.634 5.271 ( -0.218 -0.534 0.101) 0.585 5.532 ( 0.944 0.350 -0.853) 1.320 5.541 ( 0.489 -0.573 -0.741) 1.056 5.584 ( 0.016 1.148 -0.459) 1.236 5.603 ( -0.176 -0.835 -0.369) 0.930 6.451 ( -1.890 0.816 -0.160) 2.065 6.466 ( -1.384 -0.552 -0.890) 1.736 6.501 ( -1.989 0.084 -2.446) 3.154 6.508 ( -1.358 -0.419 -2.719) 3.068 6.822 ( 1.224 1.048 -1.509) 2.208 6.844 ( 1.078 -1.069 -2.361) 2.807 6.855 ( -0.081 0.636 1.076) 1.253 6.868 ( -0.243 -0.588 0.747) 0.982 7.108 ( -2.565 0.331 3.545) 4.388 7.117 ( -1.822 -0.665 1.512) 2.459 7.138 ( 0.135 0.421 -2.406) 2.446 7.143 ( 0.542 -0.066 -3.155) 3.202 7.424 ( 1.055 0.458 1.123) 1.607 7.434 ( 1.280 -0.534 0.475) 1.466 7.669 ( 3.976 0.388 4.371) 5.922 7.676 ( 4.442 -0.328 3.658) 5.764 8.014 ( -0.902 0.620 1.342) 1.732 8.029 ( -0.271 -0.996 0.010) 1.033 8.067 ( 0.482 0.665 -0.148) 0.835 8.077 ( 0.849 -0.368 -0.939) 1.318 =================== 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 3/15876 10.0 651.557 738.361 634.256 0.000 -97.290 0.000 3/15876 20.0 119.046 112.373 132.493 0.000 -2.452 0.000 3/15876 30.0 45.913 40.110 50.458 0.000 -1.177 0.000 3/15876 40.0 25.834 21.539 27.972 0.000 -0.914 0.000 3/15876 50.0 17.586 14.225 18.832 0.000 -0.758 0.000 3/15876 60.0 13.289 10.531 14.120 0.000 -0.647 0.000 3/15876 70.0 10.692 8.351 11.299 0.000 -0.563 0.000 3/15876 80.0 8.961 6.925 9.433 0.000 -0.498 0.000 3/15876 90.0 7.726 5.923 8.110 0.000 -0.445 0.000 3/15876 100.0 6.799 5.180 7.124 0.000 -0.402 0.000 3/15876 110.0 6.078 4.608 6.359 0.000 -0.367 0.000 3/15876 120.0 5.500 4.154 5.748 0.000 -0.337 0.000 3/15876 130.0 5.026 3.784 5.248 0.000 -0.311 0.000 3/15876 140.0 4.629 3.476 4.832 0.000 -0.289 0.000 3/15876 150.0 4.293 3.216 4.478 0.000 -0.270 0.000 3/15876 160.0 4.003 2.994 4.175 0.000 -0.254 0.000 3/15876 170.0 3.751 2.801 3.911 0.000 -0.239 0.000 3/15876 180.0 3.530 2.632 3.679 0.000 -0.225 0.000 3/15876 190.0 3.333 2.483 3.474 0.000 -0.214 0.000 3/15876 200.0 3.159 2.350 3.291 0.000 -0.203 0.000 3/15876 210.0 3.001 2.231 3.127 0.000 -0.193 0.000 3/15876 220.0 2.859 2.124 2.979 0.000 -0.185 0.000 3/15876 230.0 2.731 2.027 2.845 0.000 -0.177 0.000 3/15876 240.0 2.613 1.938 2.722 0.000 -0.169 0.000 3/15876 250.0 2.505 1.857 2.610 0.000 -0.162 0.000 3/15876 260.0 2.406 1.783 2.507 0.000 -0.156 0.000 3/15876 270.0 2.315 1.715 2.412 0.000 -0.150 0.000 3/15876 280.0 2.230 1.651 2.323 0.000 -0.145 0.000 3/15876 290.0 2.152 1.593 2.241 0.000 -0.140 0.000 3/15876 300.0 2.078 1.538 2.165 0.000 -0.135 0.000 3/15876 310.0 2.010 1.487 2.094 0.000 -0.131 0.000 3/15876 320.0 1.946 1.439 2.028 0.000 -0.127 0.000 3/15876 330.0 1.886 1.394 1.965 0.000 -0.123 0.000 3/15876 340.0 1.830 1.353 1.907 0.000 -0.119 0.000 3/15876 350.0 1.777 1.313 1.851 0.000 -0.116 0.000 3/15876 360.0 1.727 1.276 1.799 0.000 -0.113 0.000 3/15876 370.0 1.680 1.241 1.750 0.000 -0.110 0.000 3/15876 380.0 1.635 1.207 1.704 0.000 -0.107 0.000 3/15876 390.0 1.593 1.176 1.659 0.000 -0.104 0.000 3/15876 400.0 1.552 1.146 1.618 0.000 -0.102 0.000 3/15876 410.0 1.514 1.118 1.578 0.000 -0.099 0.000 3/15876 420.0 1.478 1.091 1.540 0.000 -0.097 0.000 3/15876 430.0 1.443 1.065 1.504 0.000 -0.094 0.000 3/15876 440.0 1.410 1.040 1.469 0.000 -0.092 0.000 3/15876 450.0 1.379 1.017 1.436 0.000 -0.090 0.000 3/15876 460.0 1.348 0.995 1.405 0.000 -0.088 0.000 3/15876 470.0 1.320 0.973 1.375 0.000 -0.086 0.000 3/15876 480.0 1.292 0.953 1.346 0.000 -0.085 0.000 3/15876 490.0 1.265 0.933 1.319 0.000 -0.083 0.000 3/15876 500.0 1.240 0.914 1.292 0.000 -0.081 0.000 3/15876 510.0 1.216 0.896 1.267 0.000 -0.080 0.000 3/15876 520.0 1.192 0.879 1.242 0.000 -0.078 0.000 3/15876 530.0 1.169 0.862 1.219 0.000 -0.077 0.000 3/15876 540.0 1.148 0.846 1.196 0.000 -0.075 0.000 3/15876 550.0 1.127 0.831 1.174 0.000 -0.074 0.000 3/15876 560.0 1.107 0.816 1.153 0.000 -0.072 0.000 3/15876 570.0 1.087 0.801 1.133 0.000 -0.071 0.000 3/15876 580.0 1.068 0.787 1.113 0.000 -0.070 0.000 3/15876 590.0 1.050 0.774 1.094 0.000 -0.069 0.000 3/15876 600.0 1.033 0.761 1.076 0.000 -0.068 0.000 3/15876 610.0 1.016 0.748 1.058 0.000 -0.067 0.000 3/15876 620.0 0.999 0.736 1.041 0.000 -0.065 0.000 3/15876 630.0 0.983 0.724 1.025 0.000 -0.064 0.000 3/15876 640.0 0.968 0.713 1.009 0.000 -0.063 0.000 3/15876 650.0 0.953 0.702 0.993 0.000 -0.062 0.000 3/15876 660.0 0.938 0.691 0.978 0.000 -0.062 0.000 3/15876 670.0 0.924 0.681 0.963 0.000 -0.061 0.000 3/15876 680.0 0.911 0.671 0.949 0.000 -0.060 0.000 3/15876 690.0 0.898 0.661 0.935 0.000 -0.059 0.000 3/15876 700.0 0.885 0.652 0.922 0.000 -0.058 0.000 3/15876 710.0 0.872 0.642 0.909 0.000 -0.057 0.000 3/15876 720.0 0.860 0.633 0.896 0.000 -0.056 0.000 3/15876 730.0 0.848 0.625 0.884 0.000 -0.056 0.000 3/15876 740.0 0.837 0.616 0.872 0.000 -0.055 0.000 3/15876 750.0 0.826 0.608 0.861 0.000 -0.054 0.000 3/15876 760.0 0.815 0.600 0.849 0.000 -0.053 0.000 3/15876 770.0 0.804 0.592 0.838 0.000 -0.053 0.000 3/15876 780.0 0.794 0.585 0.827 0.000 -0.052 0.000 3/15876 790.0 0.784 0.577 0.817 0.000 -0.051 0.000 3/15876 800.0 0.774 0.570 0.807 0.000 -0.051 0.000 3/15876 810.0 0.764 0.563 0.797 0.000 -0.050 0.000 3/15876 820.0 0.755 0.556 0.787 0.000 -0.050 0.000 3/15876 830.0 0.746 0.549 0.778 0.000 -0.049 0.000 3/15876 840.0 0.737 0.543 0.768 0.000 -0.048 0.000 3/15876 850.0 0.728 0.536 0.759 0.000 -0.048 0.000 3/15876 860.0 0.720 0.530 0.750 0.000 -0.047 0.000 3/15876 870.0 0.712 0.524 0.742 0.000 -0.047 0.000 3/15876 880.0 0.704 0.518 0.733 0.000 -0.046 0.000 3/15876 890.0 0.696 0.512 0.725 0.000 -0.046 0.000 3/15876 900.0 0.688 0.506 0.717 0.000 -0.045 0.000 3/15876 910.0 0.680 0.501 0.709 0.000 -0.045 0.000 3/15876 920.0 0.673 0.495 0.702 0.000 -0.044 0.000 3/15876 930.0 0.666 0.490 0.694 0.000 -0.044 0.000 3/15876 940.0 0.659 0.485 0.687 0.000 -0.043 0.000 3/15876 950.0 0.652 0.480 0.679 0.000 -0.043 0.000 3/15876 960.0 0.645 0.475 0.672 0.000 -0.042 0.000 3/15876 970.0 0.638 0.470 0.665 0.000 -0.042 0.000 3/15876 980.0 0.632 0.465 0.659 0.000 -0.041 0.000 3/15876 990.0 0.625 0.460 0.652 0.000 -0.041 0.000 3/15876 1000.0 0.619 0.456 0.645 0.000 -0.041 0.000 3/15876 Thermal conductivity related properties were written into "kappa-m737.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:42:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|