----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:52:48]------------------------- 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: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.003776811520574 -2.615065685000000 0.000000000000000 b 8.003776811520574 2.615065685000000 0.000000000000000 c -0.593593432036674 0.000000000000000 11.228420531410839 Atomic positions (fractional): *1 O 0.16678433651272 0.27239675666836 0.35279272928294 15.999 *2 O 0.21094817698158 0.02527009114624 0.01929689405122 15.999 3 O 0.97472990885376 0.78905182301842 0.48070310594878 15.999 4 O 0.78905182301842 0.97472990885376 0.98070310594878 15.999 5 O 0.02527009114624 0.21094817698158 0.51929689405122 15.999 6 O 0.27239675666836 0.16678433651272 0.85279272928294 15.999 *7 O 0.58446187131784 0.49311498722825 0.15206550694807 15.999 8 O 0.50688501277175 0.41553812868216 0.34793449305193 15.999 9 O 0.41553812868216 0.50688501277175 0.84793449305193 15.999 10 O 0.49311498722825 0.58446187131784 0.65206550694807 15.999 *11 O 0.96357310601975 0.16934378814195 0.30626867213344 15.999 12 O 0.83065621185805 0.03642689398025 0.19373132786656 15.999 13 O 0.03642689398025 0.83065621185805 0.69373132786656 15.999 14 O 0.16934378814195 0.96357310601975 0.80626867213344 15.999 15 O 0.72760324333164 0.83321566348728 0.14720727071706 15.999 *16 O 0.36164405421501 0.33748730564528 0.10764026717427 15.999 17 O 0.33748730564528 0.36164405421501 0.60764026717427 15.999 18 O 0.63835594578499 0.66251269435472 0.89235973282573 15.999 19 O 0.66251269435472 0.63835594578499 0.39235973282573 15.999 20 O 0.83321566348728 0.72760324333164 0.64720727071706 15.999 *21 Na 0.22200421571044 0.69998065764922 0.03886348128527 22.990 22 Na 0.69998065764922 0.22200421571044 0.53886348128527 22.990 23 Na 0.77799578428956 0.30001934235078 0.96113651871473 22.990 *24 Na 0.42680594750164 0.89142376464092 0.20766489182026 22.990 25 Na 0.10857623535908 0.57319405249836 0.29233510817974 22.990 26 Na 0.57319405249836 0.10857623535908 0.79233510817974 22.990 *27 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 28 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 29 Na 0.89142376464092 0.42680594750164 0.70766489182026 22.990 30 Na 0.30001934235078 0.77799578428956 0.46113651871473 22.990 *31 P 0.34449035416323 0.94860360257354 0.90110869275995 30.974 32 P 0.05139639742646 0.65550964583677 0.59889130724005 30.974 33 P 0.65550964583677 0.05139639742646 0.09889130724005 30.974 34 P 0.94860360257354 0.34449035416323 0.40110869275995 30.974 *35 P 0.30532353842929 0.69467646157071 0.75000000000000 30.974 36 P 0.69467646157071 0.30532353842929 0.25000000000000 30.974 -------------------------------- unit cell --------------------------------- Lattice vectors: a 16.007553623041147 0.000000000000000 0.000000000000000 b 0.000000000000000 5.230131370000000 0.000000000000000 c -0.593593432036674 0.000000000000000 11.228420531410839 Atomic positions (fractional): *1 O 0.21959054659054 0.05280621007782 0.35279272928294 15.999 > 1 *2 O 0.11810913406391 0.90716095708233 0.01929689405122 15.999 > 2 3 O 0.38189086593609 0.40716095708233 0.48070310594878 15.999 > 3 4 O 0.38189086593609 0.59283904291767 0.98070310594878 15.999 > 4 5 O 0.11810913406391 0.09283904291767 0.51929689405122 15.999 > 5 6 O 0.21959054659054 0.94719378992218 0.85279272928294 15.999 > 6 *7 O 0.03878842927304 0.45432655795521 0.15206550694807 15.999 > 7 8 O 0.46121157072696 0.95432655795521 0.34793449305193 15.999 > 8 9 O 0.46121157072696 0.04567344204479 0.84793449305193 15.999 > 9 10 O 0.03878842927304 0.54567344204479 0.65206550694807 15.999 > 10 *11 O 0.06645844708085 0.10288534106110 0.30626867213344 15.999 > 11 12 O 0.43354155291915 0.60288534106110 0.19373132786656 15.999 > 12 13 O 0.43354155291915 0.39711465893890 0.69373132786656 15.999 > 13 14 O 0.06645844708085 0.89711465893890 0.80626867213344 15.999 > 14 15 O 0.28040945340946 0.55280621007782 0.14720727071706 15.999 > 15 *16 O 0.34956567993015 0.98792162571514 0.10764026717427 15.999 > 16 17 O 0.34956567993015 0.01207837428486 0.60764026717427 15.999 > 17 18 O 0.15043432006985 0.51207837428486 0.89235973282573 15.999 > 18 19 O 0.15043432006985 0.48792162571514 0.39235973282573 15.999 > 19 20 O 0.28040945340946 0.44719378992218 0.64720727071706 15.999 > 20 21 O 0.71959054659054 0.55280621007782 0.35279272928294 15.999 > 1 22 O 0.61810913406391 0.40716095708233 0.01929689405122 15.999 > 2 23 O 0.88189086593609 0.90716095708233 0.48070310594878 15.999 > 3 24 O 0.88189086593609 0.09283904291767 0.98070310594878 15.999 > 4 25 O 0.61810913406391 0.59283904291767 0.51929689405122 15.999 > 5 26 O 0.71959054659054 0.44719378992218 0.85279272928294 15.999 > 6 27 O 0.53878842927304 0.95432655795521 0.15206550694807 15.999 > 7 28 O 0.96121157072696 0.45432655795521 0.34793449305193 15.999 > 8 29 O 0.96121157072696 0.54567344204479 0.84793449305193 15.999 > 9 30 O 0.53878842927304 0.04567344204479 0.65206550694807 15.999 > 10 31 O 0.56645844708085 0.60288534106110 0.30626867213344 15.999 > 11 32 O 0.93354155291915 0.10288534106110 0.19373132786656 15.999 > 12 33 O 0.93354155291915 0.89711465893890 0.69373132786656 15.999 > 13 34 O 0.56645844708085 0.39711465893890 0.80626867213344 15.999 > 14 35 O 0.78040945340946 0.05280621007782 0.14720727071706 15.999 > 15 36 O 0.84956567993015 0.48792162571514 0.10764026717427 15.999 > 16 37 O 0.84956567993015 0.51207837428486 0.60764026717427 15.999 > 17 38 O 0.65043432006985 0.01207837428486 0.89235973282573 15.999 > 18 39 O 0.65043432006985 0.98792162571514 0.39235973282573 15.999 > 19 40 O 0.78040945340946 0.94719378992218 0.64720727071706 15.999 > 20 *41 Na 0.46099243667983 0.23898822096939 0.03886348128527 22.990 > 21 42 Na 0.46099243667983 0.76101177903061 0.53886348128527 22.990 > 22 43 Na 0.03900756332017 0.26101177903061 0.96113651871473 22.990 > 23 *44 Na 0.15911485607128 0.73230890856964 0.20766489182026 22.990 > 24 45 Na 0.34088514392872 0.23230890856964 0.29233510817974 22.990 > 25 46 Na 0.34088514392872 0.76769109143036 0.79233510817974 22.990 > 26 *47 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 > 27 48 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 28 49 Na 0.15911485607128 0.26769109143036 0.70766489182026 22.990 > 29 50 Na 0.03900756332017 0.73898822096939 0.46113651871473 22.990 > 30 51 Na 0.96099243667983 0.73898822096939 0.03886348128527 22.990 > 21 52 Na 0.96099243667983 0.26101177903061 0.53886348128527 22.990 > 22 53 Na 0.53900756332017 0.76101177903061 0.96113651871473 22.990 > 23 54 Na 0.65911485607128 0.23230890856964 0.20766489182026 22.990 > 24 55 Na 0.84088514392872 0.73230890856964 0.29233510817974 22.990 > 25 56 Na 0.84088514392872 0.26769109143036 0.79233510817974 22.990 > 26 57 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 > 27 58 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 28 59 Na 0.65911485607128 0.76769109143036 0.70766489182026 22.990 > 29 60 Na 0.53900756332017 0.23898822096939 0.46113651871473 22.990 > 30 *61 P 0.14654697836839 0.80205662420516 0.90110869275995 30.974 > 31 62 P 0.35345302163162 0.30205662420516 0.59889130724005 30.974 > 32 63 P 0.35345302163162 0.69794337579484 0.09889130724005 30.974 > 33 64 P 0.14654697836839 0.19794337579484 0.40110869275995 30.974 > 34 *65 P 0.00000000000000 0.69467646157071 0.75000000000000 30.974 > 35 66 P 0.00000000000000 0.30532353842929 0.25000000000000 30.974 > 36 67 P 0.64654697836839 0.30205662420516 0.90110869275995 30.974 > 31 68 P 0.85345302163161 0.80205662420516 0.59889130724005 30.974 > 32 69 P 0.85345302163161 0.19794337579484 0.09889130724005 30.974 > 33 70 P 0.64654697836839 0.69794337579484 0.40110869275995 30.974 > 34 71 P 0.50000000000000 0.19467646157071 0.75000000000000 30.974 > 35 72 P 0.50000000000000 0.80532353842929 0.25000000000000 30.974 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.007553623041147 0.000000000000000 0.000000000000000 b 0.000000000000000 10.460262739999999 0.000000000000000 c -0.593593432036674 0.000000000000000 11.228420531410839 Atomic positions (fractional): *1 O 0.21959054659054 0.02640310503891 0.35279272928294 15.999 > 1 2 O 0.21959054659054 0.52640310503891 0.35279272928294 15.999 > 1 *3 O 0.11810913406391 0.45358047854117 0.01929689405122 15.999 > 2 4 O 0.11810913406391 0.95358047854117 0.01929689405122 15.999 > 2 5 O 0.38189086593609 0.20358047854117 0.48070310594878 15.999 > 3 6 O 0.38189086593609 0.70358047854117 0.48070310594878 15.999 > 3 7 O 0.38189086593609 0.29641952145883 0.98070310594878 15.999 > 4 8 O 0.38189086593609 0.79641952145883 0.98070310594878 15.999 > 4 9 O 0.11810913406391 0.04641952145884 0.51929689405122 15.999 > 5 10 O 0.11810913406391 0.54641952145883 0.51929689405122 15.999 > 5 11 O 0.21959054659054 0.47359689496109 0.85279272928294 15.999 > 6 12 O 0.21959054659054 0.97359689496109 0.85279272928294 15.999 > 6 *13 O 0.03878842927304 0.22716327897760 0.15206550694807 15.999 > 7 14 O 0.03878842927304 0.72716327897760 0.15206550694807 15.999 > 7 15 O 0.46121157072696 0.47716327897760 0.34793449305193 15.999 > 8 16 O 0.46121157072696 0.97716327897760 0.34793449305193 15.999 > 8 17 O 0.46121157072696 0.02283672102240 0.84793449305193 15.999 > 9 18 O 0.46121157072696 0.52283672102240 0.84793449305193 15.999 > 9 19 O 0.03878842927304 0.27283672102240 0.65206550694807 15.999 > 10 20 O 0.03878842927304 0.77283672102240 0.65206550694807 15.999 > 10 *21 O 0.06645844708085 0.05144267053055 0.30626867213344 15.999 > 11 22 O 0.06645844708085 0.55144267053055 0.30626867213344 15.999 > 11 23 O 0.43354155291915 0.30144267053055 0.19373132786656 15.999 > 12 24 O 0.43354155291915 0.80144267053055 0.19373132786656 15.999 > 12 25 O 0.43354155291915 0.19855732946945 0.69373132786656 15.999 > 13 26 O 0.43354155291915 0.69855732946945 0.69373132786656 15.999 > 13 27 O 0.06645844708085 0.44855732946945 0.80626867213344 15.999 > 14 28 O 0.06645844708085 0.94855732946945 0.80626867213344 15.999 > 14 29 O 0.28040945340946 0.27640310503891 0.14720727071706 15.999 > 15 30 O 0.28040945340946 0.77640310503891 0.14720727071706 15.999 > 15 *31 O 0.34956567993015 0.49396081285757 0.10764026717427 15.999 > 16 32 O 0.34956567993015 0.99396081285757 0.10764026717427 15.999 > 16 33 O 0.34956567993015 0.00603918714243 0.60764026717427 15.999 > 17 34 O 0.34956567993015 0.50603918714243 0.60764026717427 15.999 > 17 35 O 0.15043432006985 0.25603918714243 0.89235973282573 15.999 > 18 36 O 0.15043432006985 0.75603918714243 0.89235973282573 15.999 > 18 37 O 0.15043432006985 0.24396081285757 0.39235973282573 15.999 > 19 38 O 0.15043432006985 0.74396081285757 0.39235973282573 15.999 > 19 39 O 0.28040945340946 0.22359689496109 0.64720727071706 15.999 > 20 40 O 0.28040945340946 0.72359689496109 0.64720727071706 15.999 > 20 41 O 0.71959054659054 0.27640310503891 0.35279272928294 15.999 > 1 42 O 0.71959054659054 0.77640310503891 0.35279272928294 15.999 > 1 43 O 0.61810913406391 0.20358047854117 0.01929689405122 15.999 > 2 44 O 0.61810913406391 0.70358047854117 0.01929689405122 15.999 > 2 45 O 0.88189086593609 0.45358047854117 0.48070310594878 15.999 > 3 46 O 0.88189086593609 0.95358047854117 0.48070310594878 15.999 > 3 47 O 0.88189086593609 0.04641952145884 0.98070310594878 15.999 > 4 48 O 0.88189086593609 0.54641952145883 0.98070310594878 15.999 > 4 49 O 0.61810913406391 0.29641952145883 0.51929689405122 15.999 > 5 50 O 0.61810913406391 0.79641952145883 0.51929689405122 15.999 > 5 51 O 0.71959054659054 0.22359689496109 0.85279272928294 15.999 > 6 52 O 0.71959054659054 0.72359689496109 0.85279272928294 15.999 > 6 53 O 0.53878842927304 0.47716327897760 0.15206550694807 15.999 > 7 54 O 0.53878842927304 0.97716327897760 0.15206550694807 15.999 > 7 55 O 0.96121157072696 0.22716327897760 0.34793449305193 15.999 > 8 56 O 0.96121157072696 0.72716327897760 0.34793449305193 15.999 > 8 57 O 0.96121157072696 0.27283672102240 0.84793449305193 15.999 > 9 58 O 0.96121157072696 0.77283672102240 0.84793449305193 15.999 > 9 59 O 0.53878842927304 0.02283672102240 0.65206550694807 15.999 > 10 60 O 0.53878842927304 0.52283672102240 0.65206550694807 15.999 > 10 61 O 0.56645844708085 0.30144267053055 0.30626867213344 15.999 > 11 62 O 0.56645844708085 0.80144267053055 0.30626867213344 15.999 > 11 63 O 0.93354155291915 0.05144267053055 0.19373132786656 15.999 > 12 64 O 0.93354155291915 0.55144267053055 0.19373132786656 15.999 > 12 65 O 0.93354155291915 0.44855732946945 0.69373132786656 15.999 > 13 66 O 0.93354155291915 0.94855732946945 0.69373132786656 15.999 > 13 67 O 0.56645844708085 0.19855732946945 0.80626867213344 15.999 > 14 68 O 0.56645844708085 0.69855732946945 0.80626867213344 15.999 > 14 69 O 0.78040945340946 0.02640310503891 0.14720727071706 15.999 > 15 70 O 0.78040945340946 0.52640310503891 0.14720727071706 15.999 > 15 71 O 0.84956567993015 0.24396081285757 0.10764026717427 15.999 > 16 72 O 0.84956567993015 0.74396081285757 0.10764026717427 15.999 > 16 73 O 0.84956567993015 0.25603918714243 0.60764026717427 15.999 > 17 74 O 0.84956567993015 0.75603918714243 0.60764026717427 15.999 > 17 75 O 0.65043432006985 0.00603918714243 0.89235973282573 15.999 > 18 76 O 0.65043432006985 0.50603918714243 0.89235973282573 15.999 > 18 77 O 0.65043432006985 0.49396081285757 0.39235973282573 15.999 > 19 78 O 0.65043432006985 0.99396081285757 0.39235973282573 15.999 > 19 79 O 0.78040945340946 0.47359689496109 0.64720727071706 15.999 > 20 80 O 0.78040945340946 0.97359689496109 0.64720727071706 15.999 > 20 *81 Na 0.46099243667983 0.11949411048469 0.03886348128527 22.990 > 21 82 Na 0.46099243667983 0.61949411048469 0.03886348128527 22.990 > 21 83 Na 0.46099243667983 0.38050588951531 0.53886348128527 22.990 > 22 84 Na 0.46099243667983 0.88050588951531 0.53886348128527 22.990 > 22 85 Na 0.03900756332017 0.13050588951531 0.96113651871473 22.990 > 23 86 Na 0.03900756332017 0.63050588951531 0.96113651871473 22.990 > 23 *87 Na 0.15911485607128 0.36615445428482 0.20766489182026 22.990 > 24 88 Na 0.15911485607128 0.86615445428482 0.20766489182026 22.990 > 24 89 Na 0.34088514392872 0.11615445428482 0.29233510817974 22.990 > 25 90 Na 0.34088514392872 0.61615445428482 0.29233510817974 22.990 > 25 91 Na 0.34088514392872 0.38384554571518 0.79233510817974 22.990 > 26 92 Na 0.34088514392872 0.88384554571518 0.79233510817974 22.990 > 26 *93 Na 0.25000000000000 0.37500000000000 0.50000000000000 22.990 > 27 94 Na 0.25000000000000 0.87500000000000 0.50000000000000 22.990 > 27 95 Na 0.25000000000000 0.12500000000000 0.00000000000000 22.990 > 28 96 Na 0.25000000000000 0.62500000000000 0.00000000000000 22.990 > 28 97 Na 0.15911485607128 0.13384554571518 0.70766489182026 22.990 > 29 98 Na 0.15911485607128 0.63384554571518 0.70766489182026 22.990 > 29 99 Na 0.03900756332017 0.36949411048469 0.46113651871473 22.990 > 30 100 Na 0.03900756332017 0.86949411048469 0.46113651871473 22.990 > 30 101 Na 0.96099243667983 0.36949411048469 0.03886348128527 22.990 > 21 102 Na 0.96099243667983 0.86949411048469 0.03886348128527 22.990 > 21 103 Na 0.96099243667983 0.13050588951531 0.53886348128527 22.990 > 22 104 Na 0.96099243667983 0.63050588951531 0.53886348128527 22.990 > 22 105 Na 0.53900756332017 0.38050588951531 0.96113651871473 22.990 > 23 106 Na 0.53900756332017 0.88050588951531 0.96113651871473 22.990 > 23 107 Na 0.65911485607128 0.11615445428482 0.20766489182026 22.990 > 24 108 Na 0.65911485607128 0.61615445428482 0.20766489182026 22.990 > 24 109 Na 0.84088514392872 0.36615445428482 0.29233510817974 22.990 > 25 110 Na 0.84088514392872 0.86615445428482 0.29233510817974 22.990 > 25 111 Na 0.84088514392872 0.13384554571518 0.79233510817974 22.990 > 26 112 Na 0.84088514392872 0.63384554571518 0.79233510817974 22.990 > 26 113 Na 0.75000000000000 0.12500000000000 0.50000000000000 22.990 > 27 114 Na 0.75000000000000 0.62500000000000 0.50000000000000 22.990 > 27 115 Na 0.75000000000000 0.37500000000000 0.00000000000000 22.990 > 28 116 Na 0.75000000000000 0.87500000000000 0.00000000000000 22.990 > 28 117 Na 0.65911485607128 0.38384554571518 0.70766489182026 22.990 > 29 118 Na 0.65911485607128 0.88384554571518 0.70766489182026 22.990 > 29 119 Na 0.53900756332017 0.11949411048469 0.46113651871473 22.990 > 30 120 Na 0.53900756332017 0.61949411048469 0.46113651871473 22.990 > 30 *121 P 0.14654697836839 0.40102831210258 0.90110869275995 30.974 > 31 122 P 0.14654697836839 0.90102831210258 0.90110869275995 30.974 > 31 123 P 0.35345302163162 0.15102831210258 0.59889130724005 30.974 > 32 124 P 0.35345302163162 0.65102831210258 0.59889130724005 30.974 > 32 125 P 0.35345302163162 0.34897168789742 0.09889130724005 30.974 > 33 126 P 0.35345302163162 0.84897168789742 0.09889130724005 30.974 > 33 127 P 0.14654697836839 0.09897168789742 0.40110869275995 30.974 > 34 128 P 0.14654697836839 0.59897168789742 0.40110869275995 30.974 > 34 *129 P 0.00000000000000 0.34733823078535 0.75000000000000 30.974 > 35 130 P 0.00000000000000 0.84733823078535 0.75000000000000 30.974 > 35 131 P 0.00000000000000 0.15266176921465 0.25000000000000 30.974 > 36 132 P 0.00000000000000 0.65266176921465 0.25000000000000 30.974 > 36 133 P 0.64654697836839 0.15102831210258 0.90110869275995 30.974 > 31 134 P 0.64654697836839 0.65102831210258 0.90110869275995 30.974 > 31 135 P 0.85345302163161 0.40102831210258 0.59889130724005 30.974 > 32 136 P 0.85345302163161 0.90102831210258 0.59889130724005 30.974 > 32 137 P 0.85345302163161 0.09897168789742 0.09889130724005 30.974 > 33 138 P 0.85345302163161 0.59897168789742 0.09889130724005 30.974 > 33 139 P 0.64654697836839 0.34897168789742 0.40110869275995 30.974 > 34 140 P 0.64654697836839 0.84897168789742 0.40110869275995 30.974 > 34 141 P 0.50000000000000 0.09733823078535 0.75000000000000 30.974 > 35 142 P 0.50000000000000 0.59733823078535 0.75000000000000 30.974 > 35 143 P 0.50000000000000 0.40266176921465 0.25000000000000 30.974 > 36 144 P 0.50000000000000 0.90266176921465 0.25000000000000 30.974 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3616805 0.0000000 0.0521115 0.0000000 2.2856108 0.0000000 0.0521121 0.0000000 2.3218600 -------------------------- Born effective charges -------------------------- 1 O -1.7335787 0.3667841 0.2778488 0.3417527 -1.2895764 -0.1534296 0.1132039 -0.1170361 -1.1681733 2 O -1.2658456 0.0778948 0.1449453 0.0688325 -1.2082292 -0.2857697 0.2987958 -0.2878811 -1.7573830 3 O -1.2658456 -0.0778948 0.1449453 -0.0688325 -1.2082292 0.2857697 0.2987958 0.2878811 -1.7573830 4 O -1.2658456 0.0778948 0.1449453 0.0688325 -1.2082292 -0.2857697 0.2987958 -0.2878811 -1.7573830 5 O -1.2658456 -0.0778948 0.1449453 -0.0688325 -1.2082292 0.2857697 0.2987958 0.2878811 -1.7573830 6 O -1.7335787 -0.3667841 0.2778488 -0.3417527 -1.2895764 0.1534296 0.1132039 0.1170361 -1.1681733 7 O -1.2561746 -0.2012542 0.1469186 -0.2129801 -1.1825786 0.3157717 0.1733656 0.2952545 -1.6388071 8 O -1.2561746 0.2012542 0.1469186 0.2129801 -1.1825786 -0.3157717 0.1733656 -0.2952545 -1.6388071 9 O -1.2561746 -0.2012542 0.1469186 -0.2129801 -1.1825786 0.3157717 0.1733656 0.2952545 -1.6388071 10 O -1.2561746 0.2012542 0.1469186 0.2129801 -1.1825786 -0.3157717 0.1733656 -0.2952545 -1.6388071 11 O -2.0732368 0.2905916 -0.9403884 0.3083762 -1.2857591 0.1620662 -0.9909671 0.1699185 -1.6352025 12 O -2.0732368 -0.2905916 -0.9403884 -0.3083762 -1.2857591 -0.1620662 -0.9909671 -0.1699185 -1.6352025 13 O -2.0732368 0.2905916 -0.9403884 0.3083762 -1.2857591 0.1620662 -0.9909671 0.1699185 -1.6352025 14 O -2.0732368 -0.2905916 -0.9403884 -0.3083762 -1.2857591 -0.1620662 -0.9909671 -0.1699185 -1.6352025 15 O -1.7335787 -0.3667841 0.2778488 -0.3417527 -1.2895764 0.1534296 0.1132039 0.1170361 -1.1681733 16 O -1.1808562 0.1038533 -0.0972619 0.0206752 -1.9247130 -0.0810447 -0.1027432 -0.0038648 -1.0701220 17 O -1.1808562 -0.1038533 -0.0972619 -0.0206752 -1.9247130 0.0810447 -0.1027432 0.0038648 -1.0701220 18 O -1.1808562 0.1038533 -0.0972619 0.0206752 -1.9247130 -0.0810447 -0.1027432 -0.0038648 -1.0701220 19 O -1.1808562 -0.1038533 -0.0972619 -0.0206752 -1.9247130 0.0810447 -0.1027432 0.0038648 -1.0701220 20 O -1.7335787 0.3667841 0.2778488 0.3417527 -1.2895764 -0.1534296 0.1132039 -0.1170361 -1.1681733 21 Na 0.9967584 -0.0020988 -0.0708109 -0.0208139 1.1262125 -0.0513624 -0.1057668 0.0055710 1.0605255 22 Na 0.9967584 0.0020988 -0.0708109 0.0208139 1.1262125 0.0513624 -0.1057668 -0.0055710 1.0605255 23 Na 0.9967584 -0.0020988 -0.0708109 -0.0208139 1.1262125 -0.0513624 -0.1057668 0.0055710 1.0605255 24 Na 1.1057706 -0.0137474 -0.0832034 0.0687401 1.0822001 0.0079051 -0.0335055 -0.0195523 1.1500462 25 Na 1.1057706 0.0137474 -0.0832034 -0.0687401 1.0822001 -0.0079051 -0.0335055 0.0195523 1.1500462 26 Na 1.1057706 -0.0137474 -0.0832034 0.0687401 1.0822001 0.0079051 -0.0335055 -0.0195523 1.1500462 27 Na 1.1063823 -0.0713265 0.1884401 0.0034728 1.2480713 0.0022986 0.1580782 -0.0382808 0.9436891 28 Na 1.1063823 0.0713265 0.1884401 -0.0034728 1.2480713 -0.0022986 0.1580782 0.0382808 0.9436891 29 Na 1.1057706 0.0137474 -0.0832034 -0.0687401 1.0822001 -0.0079051 -0.0335055 0.0195523 1.1500462 30 Na 0.9967584 0.0020988 -0.0708109 0.0208139 1.1262125 0.0513624 -0.1057668 -0.0055710 1.0605255 31 P 3.1663918 -0.0164407 0.2614608 0.2601729 2.7191723 0.2250435 0.2649908 0.0023481 2.9103361 32 P 3.1663918 0.0164407 0.2614608 -0.2601729 2.7191723 -0.2250435 0.2649908 -0.0023481 2.9103361 33 P 3.1663918 -0.0164407 0.2614608 0.2601729 2.7191723 0.2250435 0.2649908 0.0023481 2.9103361 34 P 3.1663918 0.0164407 0.2614608 -0.2601729 2.7191723 -0.2250435 0.2649908 -0.0023481 2.9103361 35 P 3.3751600 0.0000000 0.5325421 0.0000000 2.6784714 0.0000000 0.6071746 -0.0000000 3.3538714 36 P 3.3751600 0.0000000 0.5325421 0.0000000 2.6784714 0.0000000 0.6071746 -0.0000000 3.3538714 ---------------------------------------------------------------------------- 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: 28260/28260 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6005 Number of blocks in projector: 6005 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: 1302 Use submatrix version of eigh solver. (1) Block: 500 / 1302 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1302 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1302 / 1302 (1) 291 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1294 Use submatrix version of eigh solver. (1) Block: 500 / 1294 (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 / 1294 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1294 / 1294 (1) 279 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: 1294 Use submatrix version of eigh solver. (1) Block: 500 / 1294 (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 / 1294 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1294 / 1294 (1) 279 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 195 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 195 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 195 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (6005, 5920), data: False |-- (705, 695), data: False |-- (705, 10), data: (705, 20) @ (20, 10) |-- (205, 195), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (705, 695), data: False |-- (705, 10), data: (705, 20) @ (20, 10) |-- (205, 195), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (705, 695), data: False |-- (705, 10), data: (705, 20) @ (20, 10) |-- (205, 195), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1294, 1276), data: False |-- (1294, 31), data: (1294, 49) @ (49, 31) |-- (294, 279), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), 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 |-- (1294, 1276), data: False |-- (1294, 31), data: (1294, 49) @ (49, 31) |-- (294, 279), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), 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 |-- (1302, 1283), data: False |-- (1302, 28), data: (1302, 47) @ (47, 28) |-- (302, 291), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 481), data: False |-- (500, 19), data: (500, 38) @ (38, 19) |-- (250, 231), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1120 - Time: 1.974 Solver_block: 200 / 1120 - Time: 1.825 Solver_block: 300 / 1120 - Time: 1.823 Solver_block: 400 / 1120 - Time: 1.823 Solver_block: 500 / 1120 - Time: 1.826 Solver_block: 600 / 1120 - Time: 1.828 Solver_block: 700 / 1120 - Time: 1.827 Solver_block: 800 / 1120 - Time: 1.829 Solver_block: 900 / 1120 - Time: 1.837 Solver_block: 1000 / 1120 - Time: 1.819 Solver_block: 1100 / 1120 - Time: 1.850 Solver_block: 1120 / 1120 - Time: 0.511 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 21.350 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 28260/28260 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6005 Number of blocks in projector: 6005 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: 1302 Use submatrix version of eigh solver. (1) Block: 500 / 1302 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1302 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1302 / 1302 (1) 291 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1294 Use submatrix version of eigh solver. (1) Block: 500 / 1294 (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 / 1294 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1294 / 1294 (1) 279 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: 1294 Use submatrix version of eigh solver. (1) Block: 500 / 1294 (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 / 1294 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1294 / 1294 (1) 279 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 195 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 195 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 195 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (6005, 5920), data: False |-- (705, 695), data: False |-- (705, 10), data: (705, 20) @ (20, 10) |-- (205, 195), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (705, 695), data: False |-- (705, 10), data: (705, 20) @ (20, 10) |-- (205, 195), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (705, 695), data: False |-- (705, 10), data: (705, 20) @ (20, 10) |-- (205, 195), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1294, 1276), data: False |-- (1294, 31), data: (1294, 49) @ (49, 31) |-- (294, 279), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), 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 |-- (1294, 1276), data: False |-- (1294, 31), data: (1294, 49) @ (49, 31) |-- (294, 279), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), 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 |-- (1302, 1283), data: False |-- (1302, 28), data: (1302, 47) @ (47, 28) |-- (302, 291), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 481), data: False |-- (500, 19), data: (500, 38) @ (38, 19) |-- (250, 231), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:54:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:54:00]------------------------- 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): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.003776811520574 -2.615065685000000 0.000000000000000 b 8.003776811520574 2.615065685000000 0.000000000000000 c -0.593593432036674 0.000000000000000 11.228420531410839 Atomic positions (fractional): 1 O 0.16678433651272 0.27239675666836 0.35279272928294 15.999 2 O 0.21094817698158 0.02527009114624 0.01929689405122 15.999 3 O 0.97472990885376 0.78905182301842 0.48070310594878 15.999 4 O 0.78905182301842 0.97472990885376 0.98070310594878 15.999 5 O 0.02527009114624 0.21094817698158 0.51929689405122 15.999 6 O 0.27239675666836 0.16678433651272 0.85279272928294 15.999 7 O 0.58446187131784 0.49311498722825 0.15206550694807 15.999 8 O 0.50688501277175 0.41553812868216 0.34793449305193 15.999 9 O 0.41553812868216 0.50688501277175 0.84793449305193 15.999 10 O 0.49311498722825 0.58446187131784 0.65206550694807 15.999 11 O 0.96357310601975 0.16934378814195 0.30626867213344 15.999 12 O 0.83065621185805 0.03642689398025 0.19373132786656 15.999 13 O 0.03642689398025 0.83065621185805 0.69373132786656 15.999 14 O 0.16934378814195 0.96357310601975 0.80626867213344 15.999 15 O 0.72760324333164 0.83321566348728 0.14720727071706 15.999 16 O 0.36164405421501 0.33748730564528 0.10764026717427 15.999 17 O 0.33748730564528 0.36164405421501 0.60764026717427 15.999 18 O 0.63835594578499 0.66251269435472 0.89235973282573 15.999 19 O 0.66251269435472 0.63835594578499 0.39235973282573 15.999 20 O 0.83321566348728 0.72760324333164 0.64720727071706 15.999 21 Na 0.22200421571044 0.69998065764922 0.03886348128527 22.990 22 Na 0.69998065764922 0.22200421571044 0.53886348128527 22.990 23 Na 0.77799578428956 0.30001934235078 0.96113651871473 22.990 24 Na 0.42680594750164 0.89142376464092 0.20766489182026 22.990 25 Na 0.10857623535908 0.57319405249836 0.29233510817974 22.990 26 Na 0.57319405249836 0.10857623535908 0.79233510817974 22.990 27 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 28 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 29 Na 0.89142376464092 0.42680594750164 0.70766489182026 22.990 30 Na 0.30001934235078 0.77799578428956 0.46113651871473 22.990 31 P 0.34449035416323 0.94860360257354 0.90110869275995 30.974 32 P 0.05139639742646 0.65550964583677 0.59889130724005 30.974 33 P 0.65550964583677 0.05139639742646 0.09889130724005 30.974 34 P 0.94860360257354 0.34449035416323 0.40110869275995 30.974 35 P 0.30532353842929 0.69467646157071 0.75000000000000 30.974 36 P 0.69467646157071 0.30532353842929 0.25000000000000 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.007553623041147 0.000000000000000 0.000000000000000 b 0.000000000000000 10.460262739999999 0.000000000000000 c -0.593593432036674 0.000000000000000 11.228420531410839 Atomic positions (fractional): 1 O 0.21959054659054 0.02640310503891 0.35279272928294 15.999 > 1 2 O 0.21959054659054 0.52640310503891 0.35279272928294 15.999 > 1 3 O 0.11810913406391 0.45358047854117 0.01929689405122 15.999 > 3 4 O 0.11810913406391 0.95358047854117 0.01929689405122 15.999 > 3 5 O 0.38189086593609 0.20358047854117 0.48070310594878 15.999 > 5 6 O 0.38189086593609 0.70358047854117 0.48070310594878 15.999 > 5 7 O 0.38189086593609 0.29641952145883 0.98070310594878 15.999 > 7 8 O 0.38189086593609 0.79641952145883 0.98070310594878 15.999 > 7 9 O 0.11810913406391 0.04641952145884 0.51929689405122 15.999 > 9 10 O 0.11810913406391 0.54641952145883 0.51929689405122 15.999 > 9 11 O 0.21959054659054 0.47359689496109 0.85279272928294 15.999 > 11 12 O 0.21959054659054 0.97359689496109 0.85279272928294 15.999 > 11 13 O 0.03878842927304 0.22716327897760 0.15206550694807 15.999 > 13 14 O 0.03878842927304 0.72716327897760 0.15206550694807 15.999 > 13 15 O 0.46121157072696 0.47716327897760 0.34793449305193 15.999 > 15 16 O 0.46121157072696 0.97716327897760 0.34793449305193 15.999 > 15 17 O 0.46121157072696 0.02283672102240 0.84793449305193 15.999 > 17 18 O 0.46121157072696 0.52283672102240 0.84793449305193 15.999 > 17 19 O 0.03878842927304 0.27283672102240 0.65206550694807 15.999 > 19 20 O 0.03878842927304 0.77283672102240 0.65206550694807 15.999 > 19 21 O 0.06645844708085 0.05144267053055 0.30626867213344 15.999 > 21 22 O 0.06645844708085 0.55144267053055 0.30626867213344 15.999 > 21 23 O 0.43354155291915 0.30144267053055 0.19373132786656 15.999 > 23 24 O 0.43354155291915 0.80144267053055 0.19373132786656 15.999 > 23 25 O 0.43354155291915 0.19855732946945 0.69373132786656 15.999 > 25 26 O 0.43354155291915 0.69855732946945 0.69373132786656 15.999 > 25 27 O 0.06645844708085 0.44855732946945 0.80626867213344 15.999 > 27 28 O 0.06645844708085 0.94855732946945 0.80626867213344 15.999 > 27 29 O 0.28040945340946 0.27640310503891 0.14720727071706 15.999 > 29 30 O 0.28040945340946 0.77640310503891 0.14720727071706 15.999 > 29 31 O 0.34956567993015 0.49396081285757 0.10764026717427 15.999 > 31 32 O 0.34956567993015 0.99396081285757 0.10764026717427 15.999 > 31 33 O 0.34956567993015 0.00603918714243 0.60764026717427 15.999 > 33 34 O 0.34956567993015 0.50603918714243 0.60764026717427 15.999 > 33 35 O 0.15043432006985 0.25603918714243 0.89235973282573 15.999 > 35 36 O 0.15043432006985 0.75603918714243 0.89235973282573 15.999 > 35 37 O 0.15043432006985 0.24396081285757 0.39235973282573 15.999 > 37 38 O 0.15043432006985 0.74396081285757 0.39235973282573 15.999 > 37 39 O 0.28040945340946 0.22359689496109 0.64720727071706 15.999 > 39 40 O 0.28040945340946 0.72359689496109 0.64720727071706 15.999 > 39 41 O 0.71959054659054 0.27640310503891 0.35279272928294 15.999 > 1 42 O 0.71959054659054 0.77640310503891 0.35279272928294 15.999 > 1 43 O 0.61810913406391 0.20358047854117 0.01929689405122 15.999 > 3 44 O 0.61810913406391 0.70358047854117 0.01929689405122 15.999 > 3 45 O 0.88189086593609 0.45358047854117 0.48070310594878 15.999 > 5 46 O 0.88189086593609 0.95358047854117 0.48070310594878 15.999 > 5 47 O 0.88189086593609 0.04641952145884 0.98070310594878 15.999 > 7 48 O 0.88189086593609 0.54641952145883 0.98070310594878 15.999 > 7 49 O 0.61810913406391 0.29641952145883 0.51929689405122 15.999 > 9 50 O 0.61810913406391 0.79641952145883 0.51929689405122 15.999 > 9 51 O 0.71959054659054 0.22359689496109 0.85279272928294 15.999 > 11 52 O 0.71959054659054 0.72359689496109 0.85279272928294 15.999 > 11 53 O 0.53878842927304 0.47716327897760 0.15206550694807 15.999 > 13 54 O 0.53878842927304 0.97716327897760 0.15206550694807 15.999 > 13 55 O 0.96121157072696 0.22716327897760 0.34793449305193 15.999 > 15 56 O 0.96121157072696 0.72716327897760 0.34793449305193 15.999 > 15 57 O 0.96121157072696 0.27283672102240 0.84793449305193 15.999 > 17 58 O 0.96121157072696 0.77283672102240 0.84793449305193 15.999 > 17 59 O 0.53878842927304 0.02283672102240 0.65206550694807 15.999 > 19 60 O 0.53878842927304 0.52283672102240 0.65206550694807 15.999 > 19 61 O 0.56645844708085 0.30144267053055 0.30626867213344 15.999 > 21 62 O 0.56645844708085 0.80144267053055 0.30626867213344 15.999 > 21 63 O 0.93354155291915 0.05144267053055 0.19373132786656 15.999 > 23 64 O 0.93354155291915 0.55144267053055 0.19373132786656 15.999 > 23 65 O 0.93354155291915 0.44855732946945 0.69373132786656 15.999 > 25 66 O 0.93354155291915 0.94855732946945 0.69373132786656 15.999 > 25 67 O 0.56645844708085 0.19855732946945 0.80626867213344 15.999 > 27 68 O 0.56645844708085 0.69855732946945 0.80626867213344 15.999 > 27 69 O 0.78040945340946 0.02640310503891 0.14720727071706 15.999 > 29 70 O 0.78040945340946 0.52640310503891 0.14720727071706 15.999 > 29 71 O 0.84956567993015 0.24396081285757 0.10764026717427 15.999 > 31 72 O 0.84956567993015 0.74396081285757 0.10764026717427 15.999 > 31 73 O 0.84956567993015 0.25603918714243 0.60764026717427 15.999 > 33 74 O 0.84956567993015 0.75603918714243 0.60764026717427 15.999 > 33 75 O 0.65043432006985 0.00603918714243 0.89235973282573 15.999 > 35 76 O 0.65043432006985 0.50603918714243 0.89235973282573 15.999 > 35 77 O 0.65043432006985 0.49396081285757 0.39235973282573 15.999 > 37 78 O 0.65043432006985 0.99396081285757 0.39235973282573 15.999 > 37 79 O 0.78040945340946 0.47359689496109 0.64720727071706 15.999 > 39 80 O 0.78040945340946 0.97359689496109 0.64720727071706 15.999 > 39 81 Na 0.46099243667983 0.11949411048469 0.03886348128527 22.990 > 81 82 Na 0.46099243667983 0.61949411048469 0.03886348128527 22.990 > 81 83 Na 0.46099243667983 0.38050588951531 0.53886348128527 22.990 > 83 84 Na 0.46099243667983 0.88050588951531 0.53886348128527 22.990 > 83 85 Na 0.03900756332017 0.13050588951531 0.96113651871473 22.990 > 85 86 Na 0.03900756332017 0.63050588951531 0.96113651871473 22.990 > 85 87 Na 0.15911485607128 0.36615445428482 0.20766489182026 22.990 > 87 88 Na 0.15911485607128 0.86615445428482 0.20766489182026 22.990 > 87 89 Na 0.34088514392872 0.11615445428482 0.29233510817974 22.990 > 89 90 Na 0.34088514392872 0.61615445428482 0.29233510817974 22.990 > 89 91 Na 0.34088514392872 0.38384554571518 0.79233510817974 22.990 > 91 92 Na 0.34088514392872 0.88384554571518 0.79233510817974 22.990 > 91 93 Na 0.25000000000000 0.37500000000000 0.50000000000000 22.990 > 93 94 Na 0.25000000000000 0.87500000000000 0.50000000000000 22.990 > 93 95 Na 0.25000000000000 0.12500000000000 0.00000000000000 22.990 > 95 96 Na 0.25000000000000 0.62500000000000 0.00000000000000 22.990 > 95 97 Na 0.15911485607128 0.13384554571518 0.70766489182026 22.990 > 97 98 Na 0.15911485607128 0.63384554571518 0.70766489182026 22.990 > 97 99 Na 0.03900756332017 0.36949411048469 0.46113651871473 22.990 > 99 100 Na 0.03900756332017 0.86949411048469 0.46113651871473 22.990 > 99 101 Na 0.96099243667983 0.36949411048469 0.03886348128527 22.990 > 81 102 Na 0.96099243667983 0.86949411048469 0.03886348128527 22.990 > 81 103 Na 0.96099243667983 0.13050588951531 0.53886348128527 22.990 > 83 104 Na 0.96099243667983 0.63050588951531 0.53886348128527 22.990 > 83 105 Na 0.53900756332017 0.38050588951531 0.96113651871473 22.990 > 85 106 Na 0.53900756332017 0.88050588951531 0.96113651871473 22.990 > 85 107 Na 0.65911485607128 0.11615445428482 0.20766489182026 22.990 > 87 108 Na 0.65911485607128 0.61615445428482 0.20766489182026 22.990 > 87 109 Na 0.84088514392872 0.36615445428482 0.29233510817974 22.990 > 89 110 Na 0.84088514392872 0.86615445428482 0.29233510817974 22.990 > 89 111 Na 0.84088514392872 0.13384554571518 0.79233510817974 22.990 > 91 112 Na 0.84088514392872 0.63384554571518 0.79233510817974 22.990 > 91 113 Na 0.75000000000000 0.12500000000000 0.50000000000000 22.990 > 93 114 Na 0.75000000000000 0.62500000000000 0.50000000000000 22.990 > 93 115 Na 0.75000000000000 0.37500000000000 0.00000000000000 22.990 > 95 116 Na 0.75000000000000 0.87500000000000 0.00000000000000 22.990 > 95 117 Na 0.65911485607128 0.38384554571518 0.70766489182026 22.990 > 97 118 Na 0.65911485607128 0.88384554571518 0.70766489182026 22.990 > 97 119 Na 0.53900756332017 0.11949411048469 0.46113651871473 22.990 > 99 120 Na 0.53900756332017 0.61949411048469 0.46113651871473 22.990 > 99 121 P 0.14654697836839 0.40102831210258 0.90110869275995 30.974 > 121 122 P 0.14654697836839 0.90102831210258 0.90110869275995 30.974 > 121 123 P 0.35345302163162 0.15102831210258 0.59889130724005 30.974 > 123 124 P 0.35345302163162 0.65102831210258 0.59889130724005 30.974 > 123 125 P 0.35345302163162 0.34897168789742 0.09889130724005 30.974 > 125 126 P 0.35345302163162 0.84897168789742 0.09889130724005 30.974 > 125 127 P 0.14654697836839 0.09897168789742 0.40110869275995 30.974 > 127 128 P 0.14654697836839 0.59897168789742 0.40110869275995 30.974 > 127 129 P 0.00000000000000 0.34733823078535 0.75000000000000 30.974 > 129 130 P 0.00000000000000 0.84733823078535 0.75000000000000 30.974 > 129 131 P 0.00000000000000 0.15266176921465 0.25000000000000 30.974 > 131 132 P 0.00000000000000 0.65266176921465 0.25000000000000 30.974 > 131 133 P 0.64654697836839 0.15102831210258 0.90110869275995 30.974 > 121 134 P 0.64654697836839 0.65102831210258 0.90110869275995 30.974 > 121 135 P 0.85345302163161 0.40102831210258 0.59889130724005 30.974 > 123 136 P 0.85345302163161 0.90102831210258 0.59889130724005 30.974 > 123 137 P 0.85345302163161 0.09897168789742 0.09889130724005 30.974 > 125 138 P 0.85345302163161 0.59897168789742 0.09889130724005 30.974 > 125 139 P 0.64654697836839 0.34897168789742 0.40110869275995 30.974 > 127 140 P 0.64654697836839 0.84897168789742 0.40110869275995 30.974 > 127 141 P 0.50000000000000 0.09733823078535 0.75000000000000 30.974 > 129 142 P 0.50000000000000 0.59733823078535 0.75000000000000 30.974 > 129 143 P 0.50000000000000 0.40266176921465 0.25000000000000 30.974 > 131 144 P 0.50000000000000 0.90266176921465 0.25000000000000 30.974 > 131 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3616805 0.0000000 0.0521115 0.0000000 2.2856108 0.0000000 0.0521121 0.0000000 2.3218600 -------------------------- Born effective charges -------------------------- 1 O -1.7335787 0.3667841 0.2778488 0.3417527 -1.2895764 -0.1534296 0.1132039 -0.1170361 -1.1681733 2 O -1.2658456 0.0778948 0.1449453 0.0688325 -1.2082292 -0.2857697 0.2987958 -0.2878811 -1.7573830 3 O -1.2658456 -0.0778948 0.1449453 -0.0688325 -1.2082292 0.2857697 0.2987958 0.2878811 -1.7573830 4 O -1.2658456 0.0778948 0.1449453 0.0688325 -1.2082292 -0.2857697 0.2987958 -0.2878811 -1.7573830 5 O -1.2658456 -0.0778948 0.1449453 -0.0688325 -1.2082292 0.2857697 0.2987958 0.2878811 -1.7573830 6 O -1.7335787 -0.3667841 0.2778488 -0.3417527 -1.2895764 0.1534296 0.1132039 0.1170361 -1.1681733 7 O -1.2561746 -0.2012542 0.1469186 -0.2129801 -1.1825786 0.3157717 0.1733656 0.2952545 -1.6388071 8 O -1.2561746 0.2012542 0.1469186 0.2129801 -1.1825786 -0.3157717 0.1733656 -0.2952545 -1.6388071 9 O -1.2561746 -0.2012542 0.1469186 -0.2129801 -1.1825786 0.3157717 0.1733656 0.2952545 -1.6388071 10 O -1.2561746 0.2012542 0.1469186 0.2129801 -1.1825786 -0.3157717 0.1733656 -0.2952545 -1.6388071 11 O -2.0732368 0.2905916 -0.9403884 0.3083762 -1.2857591 0.1620662 -0.9909671 0.1699185 -1.6352025 12 O -2.0732368 -0.2905916 -0.9403884 -0.3083762 -1.2857591 -0.1620662 -0.9909671 -0.1699185 -1.6352025 13 O -2.0732368 0.2905916 -0.9403884 0.3083762 -1.2857591 0.1620662 -0.9909671 0.1699185 -1.6352025 14 O -2.0732368 -0.2905916 -0.9403884 -0.3083762 -1.2857591 -0.1620662 -0.9909671 -0.1699185 -1.6352025 15 O -1.7335787 -0.3667841 0.2778488 -0.3417527 -1.2895764 0.1534296 0.1132039 0.1170361 -1.1681733 16 O -1.1808562 0.1038533 -0.0972619 0.0206752 -1.9247130 -0.0810447 -0.1027432 -0.0038648 -1.0701220 17 O -1.1808562 -0.1038533 -0.0972619 -0.0206752 -1.9247130 0.0810447 -0.1027432 0.0038648 -1.0701220 18 O -1.1808562 0.1038533 -0.0972619 0.0206752 -1.9247130 -0.0810447 -0.1027432 -0.0038648 -1.0701220 19 O -1.1808562 -0.1038533 -0.0972619 -0.0206752 -1.9247130 0.0810447 -0.1027432 0.0038648 -1.0701220 20 O -1.7335787 0.3667841 0.2778488 0.3417527 -1.2895764 -0.1534296 0.1132039 -0.1170361 -1.1681733 21 Na 0.9967584 -0.0020988 -0.0708109 -0.0208139 1.1262125 -0.0513624 -0.1057668 0.0055710 1.0605255 22 Na 0.9967584 0.0020988 -0.0708109 0.0208139 1.1262125 0.0513624 -0.1057668 -0.0055710 1.0605255 23 Na 0.9967584 -0.0020988 -0.0708109 -0.0208139 1.1262125 -0.0513624 -0.1057668 0.0055710 1.0605255 24 Na 1.1057706 -0.0137474 -0.0832034 0.0687401 1.0822001 0.0079051 -0.0335055 -0.0195523 1.1500462 25 Na 1.1057706 0.0137474 -0.0832034 -0.0687401 1.0822001 -0.0079051 -0.0335055 0.0195523 1.1500462 26 Na 1.1057706 -0.0137474 -0.0832034 0.0687401 1.0822001 0.0079051 -0.0335055 -0.0195523 1.1500462 27 Na 1.1063823 -0.0713265 0.1884401 0.0034728 1.2480713 0.0022986 0.1580782 -0.0382808 0.9436891 28 Na 1.1063823 0.0713265 0.1884401 -0.0034728 1.2480713 -0.0022986 0.1580782 0.0382808 0.9436891 29 Na 1.1057706 0.0137474 -0.0832034 -0.0687401 1.0822001 -0.0079051 -0.0335055 0.0195523 1.1500462 30 Na 0.9967584 0.0020988 -0.0708109 0.0208139 1.1262125 0.0513624 -0.1057668 -0.0055710 1.0605255 31 P 3.1663918 -0.0164407 0.2614608 0.2601729 2.7191723 0.2250435 0.2649908 0.0023481 2.9103361 32 P 3.1663918 0.0164407 0.2614608 -0.2601729 2.7191723 -0.2250435 0.2649908 -0.0023481 2.9103361 33 P 3.1663918 -0.0164407 0.2614608 0.2601729 2.7191723 0.2250435 0.2649908 0.0023481 2.9103361 34 P 3.1663918 0.0164407 0.2614608 -0.2601729 2.7191723 -0.2250435 0.2649908 -0.0023481 2.9103361 35 P 3.3751600 0.0000000 0.5325421 0.0000000 2.6784714 0.0000000 0.6071746 -0.0000000 3.3538714 36 P 3.3751600 0.0000000 0.5325421 0.0000000 2.6784714 0.0000000 0.6071746 -0.0000000 3.3538714 ---------------------------------------------------------------------------- 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 3, 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 13, 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 21, 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 31, 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 87, 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 93, 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 121, 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:54:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:54:55]------------------------- 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): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.003776811520574 -2.615065685000000 0.000000000000000 b 8.003776811520574 2.615065685000000 0.000000000000000 c -0.593593432036674 0.000000000000000 11.228420531410839 Atomic positions (fractional): 1 O 0.16678433651272 0.27239675666836 0.35279272928294 15.999 2 O 0.21094817698158 0.02527009114624 0.01929689405122 15.999 3 O 0.97472990885376 0.78905182301842 0.48070310594878 15.999 4 O 0.78905182301842 0.97472990885376 0.98070310594878 15.999 5 O 0.02527009114624 0.21094817698158 0.51929689405122 15.999 6 O 0.27239675666836 0.16678433651272 0.85279272928294 15.999 7 O 0.58446187131784 0.49311498722825 0.15206550694807 15.999 8 O 0.50688501277175 0.41553812868216 0.34793449305193 15.999 9 O 0.41553812868216 0.50688501277175 0.84793449305193 15.999 10 O 0.49311498722825 0.58446187131784 0.65206550694807 15.999 11 O 0.96357310601975 0.16934378814195 0.30626867213344 15.999 12 O 0.83065621185805 0.03642689398025 0.19373132786656 15.999 13 O 0.03642689398025 0.83065621185805 0.69373132786656 15.999 14 O 0.16934378814195 0.96357310601975 0.80626867213344 15.999 15 O 0.72760324333164 0.83321566348728 0.14720727071706 15.999 16 O 0.36164405421501 0.33748730564528 0.10764026717427 15.999 17 O 0.33748730564528 0.36164405421501 0.60764026717427 15.999 18 O 0.63835594578499 0.66251269435472 0.89235973282573 15.999 19 O 0.66251269435472 0.63835594578499 0.39235973282573 15.999 20 O 0.83321566348728 0.72760324333164 0.64720727071706 15.999 21 Na 0.22200421571044 0.69998065764922 0.03886348128527 22.990 22 Na 0.69998065764922 0.22200421571044 0.53886348128527 22.990 23 Na 0.77799578428956 0.30001934235078 0.96113651871473 22.990 24 Na 0.42680594750164 0.89142376464092 0.20766489182026 22.990 25 Na 0.10857623535908 0.57319405249836 0.29233510817974 22.990 26 Na 0.57319405249836 0.10857623535908 0.79233510817974 22.990 27 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 28 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 29 Na 0.89142376464092 0.42680594750164 0.70766489182026 22.990 30 Na 0.30001934235078 0.77799578428956 0.46113651871473 22.990 31 P 0.34449035416323 0.94860360257354 0.90110869275995 30.974 32 P 0.05139639742646 0.65550964583677 0.59889130724005 30.974 33 P 0.65550964583677 0.05139639742646 0.09889130724005 30.974 34 P 0.94860360257354 0.34449035416323 0.40110869275995 30.974 35 P 0.30532353842929 0.69467646157071 0.75000000000000 30.974 36 P 0.69467646157071 0.30532353842929 0.25000000000000 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.007553623041147 0.000000000000000 0.000000000000000 b 0.000000000000000 10.460262739999999 0.000000000000000 c -0.593593432036674 0.000000000000000 11.228420531410839 Atomic positions (fractional): 1 O 0.21959054659054 0.02640310503891 0.35279272928294 15.999 > 1 2 O 0.21959054659054 0.52640310503891 0.35279272928294 15.999 > 1 3 O 0.11810913406391 0.45358047854117 0.01929689405122 15.999 > 3 4 O 0.11810913406391 0.95358047854117 0.01929689405122 15.999 > 3 5 O 0.38189086593609 0.20358047854117 0.48070310594878 15.999 > 5 6 O 0.38189086593609 0.70358047854117 0.48070310594878 15.999 > 5 7 O 0.38189086593609 0.29641952145883 0.98070310594878 15.999 > 7 8 O 0.38189086593609 0.79641952145883 0.98070310594878 15.999 > 7 9 O 0.11810913406391 0.04641952145884 0.51929689405122 15.999 > 9 10 O 0.11810913406391 0.54641952145883 0.51929689405122 15.999 > 9 11 O 0.21959054659054 0.47359689496109 0.85279272928294 15.999 > 11 12 O 0.21959054659054 0.97359689496109 0.85279272928294 15.999 > 11 13 O 0.03878842927304 0.22716327897760 0.15206550694807 15.999 > 13 14 O 0.03878842927304 0.72716327897760 0.15206550694807 15.999 > 13 15 O 0.46121157072696 0.47716327897760 0.34793449305193 15.999 > 15 16 O 0.46121157072696 0.97716327897760 0.34793449305193 15.999 > 15 17 O 0.46121157072696 0.02283672102240 0.84793449305193 15.999 > 17 18 O 0.46121157072696 0.52283672102240 0.84793449305193 15.999 > 17 19 O 0.03878842927304 0.27283672102240 0.65206550694807 15.999 > 19 20 O 0.03878842927304 0.77283672102240 0.65206550694807 15.999 > 19 21 O 0.06645844708085 0.05144267053055 0.30626867213344 15.999 > 21 22 O 0.06645844708085 0.55144267053055 0.30626867213344 15.999 > 21 23 O 0.43354155291915 0.30144267053055 0.19373132786656 15.999 > 23 24 O 0.43354155291915 0.80144267053055 0.19373132786656 15.999 > 23 25 O 0.43354155291915 0.19855732946945 0.69373132786656 15.999 > 25 26 O 0.43354155291915 0.69855732946945 0.69373132786656 15.999 > 25 27 O 0.06645844708085 0.44855732946945 0.80626867213344 15.999 > 27 28 O 0.06645844708085 0.94855732946945 0.80626867213344 15.999 > 27 29 O 0.28040945340946 0.27640310503891 0.14720727071706 15.999 > 29 30 O 0.28040945340946 0.77640310503891 0.14720727071706 15.999 > 29 31 O 0.34956567993015 0.49396081285757 0.10764026717427 15.999 > 31 32 O 0.34956567993015 0.99396081285757 0.10764026717427 15.999 > 31 33 O 0.34956567993015 0.00603918714243 0.60764026717427 15.999 > 33 34 O 0.34956567993015 0.50603918714243 0.60764026717427 15.999 > 33 35 O 0.15043432006985 0.25603918714243 0.89235973282573 15.999 > 35 36 O 0.15043432006985 0.75603918714243 0.89235973282573 15.999 > 35 37 O 0.15043432006985 0.24396081285757 0.39235973282573 15.999 > 37 38 O 0.15043432006985 0.74396081285757 0.39235973282573 15.999 > 37 39 O 0.28040945340946 0.22359689496109 0.64720727071706 15.999 > 39 40 O 0.28040945340946 0.72359689496109 0.64720727071706 15.999 > 39 41 O 0.71959054659054 0.27640310503891 0.35279272928294 15.999 > 1 42 O 0.71959054659054 0.77640310503891 0.35279272928294 15.999 > 1 43 O 0.61810913406391 0.20358047854117 0.01929689405122 15.999 > 3 44 O 0.61810913406391 0.70358047854117 0.01929689405122 15.999 > 3 45 O 0.88189086593609 0.45358047854117 0.48070310594878 15.999 > 5 46 O 0.88189086593609 0.95358047854117 0.48070310594878 15.999 > 5 47 O 0.88189086593609 0.04641952145884 0.98070310594878 15.999 > 7 48 O 0.88189086593609 0.54641952145883 0.98070310594878 15.999 > 7 49 O 0.61810913406391 0.29641952145883 0.51929689405122 15.999 > 9 50 O 0.61810913406391 0.79641952145883 0.51929689405122 15.999 > 9 51 O 0.71959054659054 0.22359689496109 0.85279272928294 15.999 > 11 52 O 0.71959054659054 0.72359689496109 0.85279272928294 15.999 > 11 53 O 0.53878842927304 0.47716327897760 0.15206550694807 15.999 > 13 54 O 0.53878842927304 0.97716327897760 0.15206550694807 15.999 > 13 55 O 0.96121157072696 0.22716327897760 0.34793449305193 15.999 > 15 56 O 0.96121157072696 0.72716327897760 0.34793449305193 15.999 > 15 57 O 0.96121157072696 0.27283672102240 0.84793449305193 15.999 > 17 58 O 0.96121157072696 0.77283672102240 0.84793449305193 15.999 > 17 59 O 0.53878842927304 0.02283672102240 0.65206550694807 15.999 > 19 60 O 0.53878842927304 0.52283672102240 0.65206550694807 15.999 > 19 61 O 0.56645844708085 0.30144267053055 0.30626867213344 15.999 > 21 62 O 0.56645844708085 0.80144267053055 0.30626867213344 15.999 > 21 63 O 0.93354155291915 0.05144267053055 0.19373132786656 15.999 > 23 64 O 0.93354155291915 0.55144267053055 0.19373132786656 15.999 > 23 65 O 0.93354155291915 0.44855732946945 0.69373132786656 15.999 > 25 66 O 0.93354155291915 0.94855732946945 0.69373132786656 15.999 > 25 67 O 0.56645844708085 0.19855732946945 0.80626867213344 15.999 > 27 68 O 0.56645844708085 0.69855732946945 0.80626867213344 15.999 > 27 69 O 0.78040945340946 0.02640310503891 0.14720727071706 15.999 > 29 70 O 0.78040945340946 0.52640310503891 0.14720727071706 15.999 > 29 71 O 0.84956567993015 0.24396081285757 0.10764026717427 15.999 > 31 72 O 0.84956567993015 0.74396081285757 0.10764026717427 15.999 > 31 73 O 0.84956567993015 0.25603918714243 0.60764026717427 15.999 > 33 74 O 0.84956567993015 0.75603918714243 0.60764026717427 15.999 > 33 75 O 0.65043432006985 0.00603918714243 0.89235973282573 15.999 > 35 76 O 0.65043432006985 0.50603918714243 0.89235973282573 15.999 > 35 77 O 0.65043432006985 0.49396081285757 0.39235973282573 15.999 > 37 78 O 0.65043432006985 0.99396081285757 0.39235973282573 15.999 > 37 79 O 0.78040945340946 0.47359689496109 0.64720727071706 15.999 > 39 80 O 0.78040945340946 0.97359689496109 0.64720727071706 15.999 > 39 81 Na 0.46099243667983 0.11949411048469 0.03886348128527 22.990 > 81 82 Na 0.46099243667983 0.61949411048469 0.03886348128527 22.990 > 81 83 Na 0.46099243667983 0.38050588951531 0.53886348128527 22.990 > 83 84 Na 0.46099243667983 0.88050588951531 0.53886348128527 22.990 > 83 85 Na 0.03900756332017 0.13050588951531 0.96113651871473 22.990 > 85 86 Na 0.03900756332017 0.63050588951531 0.96113651871473 22.990 > 85 87 Na 0.15911485607128 0.36615445428482 0.20766489182026 22.990 > 87 88 Na 0.15911485607128 0.86615445428482 0.20766489182026 22.990 > 87 89 Na 0.34088514392872 0.11615445428482 0.29233510817974 22.990 > 89 90 Na 0.34088514392872 0.61615445428482 0.29233510817974 22.990 > 89 91 Na 0.34088514392872 0.38384554571518 0.79233510817974 22.990 > 91 92 Na 0.34088514392872 0.88384554571518 0.79233510817974 22.990 > 91 93 Na 0.25000000000000 0.37500000000000 0.50000000000000 22.990 > 93 94 Na 0.25000000000000 0.87500000000000 0.50000000000000 22.990 > 93 95 Na 0.25000000000000 0.12500000000000 0.00000000000000 22.990 > 95 96 Na 0.25000000000000 0.62500000000000 0.00000000000000 22.990 > 95 97 Na 0.15911485607128 0.13384554571518 0.70766489182026 22.990 > 97 98 Na 0.15911485607128 0.63384554571518 0.70766489182026 22.990 > 97 99 Na 0.03900756332017 0.36949411048469 0.46113651871473 22.990 > 99 100 Na 0.03900756332017 0.86949411048469 0.46113651871473 22.990 > 99 101 Na 0.96099243667983 0.36949411048469 0.03886348128527 22.990 > 81 102 Na 0.96099243667983 0.86949411048469 0.03886348128527 22.990 > 81 103 Na 0.96099243667983 0.13050588951531 0.53886348128527 22.990 > 83 104 Na 0.96099243667983 0.63050588951531 0.53886348128527 22.990 > 83 105 Na 0.53900756332017 0.38050588951531 0.96113651871473 22.990 > 85 106 Na 0.53900756332017 0.88050588951531 0.96113651871473 22.990 > 85 107 Na 0.65911485607128 0.11615445428482 0.20766489182026 22.990 > 87 108 Na 0.65911485607128 0.61615445428482 0.20766489182026 22.990 > 87 109 Na 0.84088514392872 0.36615445428482 0.29233510817974 22.990 > 89 110 Na 0.84088514392872 0.86615445428482 0.29233510817974 22.990 > 89 111 Na 0.84088514392872 0.13384554571518 0.79233510817974 22.990 > 91 112 Na 0.84088514392872 0.63384554571518 0.79233510817974 22.990 > 91 113 Na 0.75000000000000 0.12500000000000 0.50000000000000 22.990 > 93 114 Na 0.75000000000000 0.62500000000000 0.50000000000000 22.990 > 93 115 Na 0.75000000000000 0.37500000000000 0.00000000000000 22.990 > 95 116 Na 0.75000000000000 0.87500000000000 0.00000000000000 22.990 > 95 117 Na 0.65911485607128 0.38384554571518 0.70766489182026 22.990 > 97 118 Na 0.65911485607128 0.88384554571518 0.70766489182026 22.990 > 97 119 Na 0.53900756332017 0.11949411048469 0.46113651871473 22.990 > 99 120 Na 0.53900756332017 0.61949411048469 0.46113651871473 22.990 > 99 121 P 0.14654697836839 0.40102831210258 0.90110869275995 30.974 > 121 122 P 0.14654697836839 0.90102831210258 0.90110869275995 30.974 > 121 123 P 0.35345302163162 0.15102831210258 0.59889130724005 30.974 > 123 124 P 0.35345302163162 0.65102831210258 0.59889130724005 30.974 > 123 125 P 0.35345302163162 0.34897168789742 0.09889130724005 30.974 > 125 126 P 0.35345302163162 0.84897168789742 0.09889130724005 30.974 > 125 127 P 0.14654697836839 0.09897168789742 0.40110869275995 30.974 > 127 128 P 0.14654697836839 0.59897168789742 0.40110869275995 30.974 > 127 129 P 0.00000000000000 0.34733823078535 0.75000000000000 30.974 > 129 130 P 0.00000000000000 0.84733823078535 0.75000000000000 30.974 > 129 131 P 0.00000000000000 0.15266176921465 0.25000000000000 30.974 > 131 132 P 0.00000000000000 0.65266176921465 0.25000000000000 30.974 > 131 133 P 0.64654697836839 0.15102831210258 0.90110869275995 30.974 > 121 134 P 0.64654697836839 0.65102831210258 0.90110869275995 30.974 > 121 135 P 0.85345302163161 0.40102831210258 0.59889130724005 30.974 > 123 136 P 0.85345302163161 0.90102831210258 0.59889130724005 30.974 > 123 137 P 0.85345302163161 0.09897168789742 0.09889130724005 30.974 > 125 138 P 0.85345302163161 0.59897168789742 0.09889130724005 30.974 > 125 139 P 0.64654697836839 0.34897168789742 0.40110869275995 30.974 > 127 140 P 0.64654697836839 0.84897168789742 0.40110869275995 30.974 > 127 141 P 0.50000000000000 0.09733823078535 0.75000000000000 30.974 > 129 142 P 0.50000000000000 0.59733823078535 0.75000000000000 30.974 > 129 143 P 0.50000000000000 0.40266176921465 0.25000000000000 30.974 > 131 144 P 0.50000000000000 0.90266176921465 0.25000000000000 30.974 > 131 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3616805 0.0000000 0.0521115 0.0000000 2.2856108 0.0000000 0.0521121 0.0000000 2.3218600 -------------------------- Born effective charges -------------------------- 1 O -1.7335787 0.3667841 0.2778488 0.3417527 -1.2895764 -0.1534296 0.1132039 -0.1170361 -1.1681733 2 O -1.2658456 0.0778948 0.1449453 0.0688325 -1.2082292 -0.2857697 0.2987958 -0.2878811 -1.7573830 3 O -1.2658456 -0.0778948 0.1449453 -0.0688325 -1.2082292 0.2857697 0.2987958 0.2878811 -1.7573830 4 O -1.2658456 0.0778948 0.1449453 0.0688325 -1.2082292 -0.2857697 0.2987958 -0.2878811 -1.7573830 5 O -1.2658456 -0.0778948 0.1449453 -0.0688325 -1.2082292 0.2857697 0.2987958 0.2878811 -1.7573830 6 O -1.7335787 -0.3667841 0.2778488 -0.3417527 -1.2895764 0.1534296 0.1132039 0.1170361 -1.1681733 7 O -1.2561746 -0.2012542 0.1469186 -0.2129801 -1.1825786 0.3157717 0.1733656 0.2952545 -1.6388071 8 O -1.2561746 0.2012542 0.1469186 0.2129801 -1.1825786 -0.3157717 0.1733656 -0.2952545 -1.6388071 9 O -1.2561746 -0.2012542 0.1469186 -0.2129801 -1.1825786 0.3157717 0.1733656 0.2952545 -1.6388071 10 O -1.2561746 0.2012542 0.1469186 0.2129801 -1.1825786 -0.3157717 0.1733656 -0.2952545 -1.6388071 11 O -2.0732368 0.2905916 -0.9403884 0.3083762 -1.2857591 0.1620662 -0.9909671 0.1699185 -1.6352025 12 O -2.0732368 -0.2905916 -0.9403884 -0.3083762 -1.2857591 -0.1620662 -0.9909671 -0.1699185 -1.6352025 13 O -2.0732368 0.2905916 -0.9403884 0.3083762 -1.2857591 0.1620662 -0.9909671 0.1699185 -1.6352025 14 O -2.0732368 -0.2905916 -0.9403884 -0.3083762 -1.2857591 -0.1620662 -0.9909671 -0.1699185 -1.6352025 15 O -1.7335787 -0.3667841 0.2778488 -0.3417527 -1.2895764 0.1534296 0.1132039 0.1170361 -1.1681733 16 O -1.1808562 0.1038533 -0.0972619 0.0206752 -1.9247130 -0.0810447 -0.1027432 -0.0038648 -1.0701220 17 O -1.1808562 -0.1038533 -0.0972619 -0.0206752 -1.9247130 0.0810447 -0.1027432 0.0038648 -1.0701220 18 O -1.1808562 0.1038533 -0.0972619 0.0206752 -1.9247130 -0.0810447 -0.1027432 -0.0038648 -1.0701220 19 O -1.1808562 -0.1038533 -0.0972619 -0.0206752 -1.9247130 0.0810447 -0.1027432 0.0038648 -1.0701220 20 O -1.7335787 0.3667841 0.2778488 0.3417527 -1.2895764 -0.1534296 0.1132039 -0.1170361 -1.1681733 21 Na 0.9967584 -0.0020988 -0.0708109 -0.0208139 1.1262125 -0.0513624 -0.1057668 0.0055710 1.0605255 22 Na 0.9967584 0.0020988 -0.0708109 0.0208139 1.1262125 0.0513624 -0.1057668 -0.0055710 1.0605255 23 Na 0.9967584 -0.0020988 -0.0708109 -0.0208139 1.1262125 -0.0513624 -0.1057668 0.0055710 1.0605255 24 Na 1.1057706 -0.0137474 -0.0832034 0.0687401 1.0822001 0.0079051 -0.0335055 -0.0195523 1.1500462 25 Na 1.1057706 0.0137474 -0.0832034 -0.0687401 1.0822001 -0.0079051 -0.0335055 0.0195523 1.1500462 26 Na 1.1057706 -0.0137474 -0.0832034 0.0687401 1.0822001 0.0079051 -0.0335055 -0.0195523 1.1500462 27 Na 1.1063823 -0.0713265 0.1884401 0.0034728 1.2480713 0.0022986 0.1580782 -0.0382808 0.9436891 28 Na 1.1063823 0.0713265 0.1884401 -0.0034728 1.2480713 -0.0022986 0.1580782 0.0382808 0.9436891 29 Na 1.1057706 0.0137474 -0.0832034 -0.0687401 1.0822001 -0.0079051 -0.0335055 0.0195523 1.1500462 30 Na 0.9967584 0.0020988 -0.0708109 0.0208139 1.1262125 0.0513624 -0.1057668 -0.0055710 1.0605255 31 P 3.1663918 -0.0164407 0.2614608 0.2601729 2.7191723 0.2250435 0.2649908 0.0023481 2.9103361 32 P 3.1663918 0.0164407 0.2614608 -0.2601729 2.7191723 -0.2250435 0.2649908 -0.0023481 2.9103361 33 P 3.1663918 -0.0164407 0.2614608 0.2601729 2.7191723 0.2250435 0.2649908 0.0023481 2.9103361 34 P 3.1663918 0.0164407 0.2614608 -0.2601729 2.7191723 -0.2250435 0.2649908 -0.0023481 2.9103361 35 P 3.3751600 0.0000000 0.5325421 0.0000000 2.6784714 0.0000000 0.6071746 -0.0000000 3.3538714 36 P 3.3751600 0.0000000 0.5325421 0.0000000 2.6784714 0.0000000 0.6071746 -0.0000000 3.3538714 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 299, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/117) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 117 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 1.068 ( 0.000 0.000 0.000) 0.000 1.127 ( 0.000 0.000 0.000) 0.000 1.219 ( 0.000 0.000 0.000) 0.000 2.370 ( 0.000 0.000 0.000) 0.000 2.621 ( 0.000 0.000 0.000) 0.000 2.638 ( 0.000 0.000 0.000) 0.000 2.722 ( 0.000 0.000 0.000) 0.000 2.822 ( 0.000 0.000 0.000) 0.000 2.946 ( 0.000 0.000 0.000) 0.000 3.238 ( 0.000 0.000 0.000) 0.000 3.343 ( 0.000 0.000 0.000) 0.000 3.535 ( 0.000 0.000 0.000) 0.000 3.687 ( 0.000 0.000 0.000) 0.000 3.693 ( 0.000 0.000 0.000) 0.000 4.107 ( 0.000 0.000 0.000) 0.000 4.135 ( 0.000 0.000 0.000) 0.000 4.224 ( 0.000 0.000 0.000) 0.000 4.229 ( 0.000 0.000 0.000) 0.000 4.230 ( 0.000 0.000 0.000) 0.000 4.499 ( 0.000 0.000 0.000) 0.000 4.508 ( 0.000 0.000 0.000) 0.000 4.524 ( 0.000 0.000 0.000) 0.000 4.612 ( 0.000 0.000 0.000) 0.000 4.705 ( 0.000 0.000 0.000) 0.000 4.719 ( 0.000 0.000 0.000) 0.000 4.768 ( 0.000 0.000 0.000) 0.000 5.085 ( 0.000 0.000 0.000) 0.000 5.132 ( 0.000 0.000 0.000) 0.000 5.175 ( 0.000 0.000 0.000) 0.000 5.288 ( 0.000 0.000 0.000) 0.000 5.429 ( 0.000 0.000 0.000) 0.000 5.469 ( 0.000 0.000 0.000) 0.000 5.493 ( 0.000 0.000 0.000) 0.000 5.792 ( 0.000 0.000 0.000) 0.000 5.935 ( 0.000 0.000 0.000) 0.000 5.965 ( 0.000 0.000 0.000) 0.000 6.051 ( 0.000 0.000 0.000) 0.000 6.084 ( 0.000 0.000 0.000) 0.000 6.413 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 6.653 ( 0.000 0.000 0.000) 0.000 6.737 ( 0.000 0.000 0.000) 0.000 6.863 ( 0.000 0.000 0.000) 0.000 6.915 ( 0.000 0.000 0.000) 0.000 7.010 ( 0.000 0.000 0.000) 0.000 7.150 ( 0.000 0.000 0.000) 0.000 7.152 ( 0.000 0.000 0.000) 0.000 7.378 ( 0.000 0.000 0.000) 0.000 7.751 ( 0.000 0.000 0.000) 0.000 7.974 ( 0.000 0.000 0.000) 0.000 8.081 ( 0.000 0.000 0.000) 0.000 8.365 ( 0.000 0.000 0.000) 0.000 8.484 ( 0.000 0.000 0.000) 0.000 9.385 ( 0.000 0.000 0.000) 0.000 9.477 ( 0.000 0.000 0.000) 0.000 9.762 ( 0.000 0.000 0.000) 0.000 9.954 ( 0.000 0.000 0.000) 0.000 10.242 ( 0.000 0.000 0.000) 0.000 10.366 ( 0.000 0.000 0.000) 0.000 10.895 ( 0.000 0.000 0.000) 0.000 11.212 ( 0.000 0.000 0.000) 0.000 12.397 ( 0.000 0.000 0.000) 0.000 12.465 ( 0.000 0.000 0.000) 0.000 13.479 ( 0.000 0.000 0.000) 0.000 13.494 ( 0.000 0.000 0.000) 0.000 13.521 ( 0.000 0.000 0.000) 0.000 13.897 ( 0.000 0.000 0.000) 0.000 14.392 ( 0.000 0.000 0.000) 0.000 14.478 ( 0.000 0.000 0.000) 0.000 14.689 ( 0.000 0.000 0.000) 0.000 14.968 ( 0.000 0.000 0.000) 0.000 15.209 ( 0.000 0.000 0.000) 0.000 15.360 ( 0.000 0.000 0.000) 0.000 15.740 ( 0.000 0.000 0.000) 0.000 15.745 ( 0.000 0.000 0.000) 0.000 16.117 ( 0.000 0.000 0.000) 0.000 16.197 ( 0.000 0.000 0.000) 0.000 16.399 ( 0.000 0.000 0.000) 0.000 16.870 ( 0.000 0.000 0.000) 0.000 17.099 ( 0.000 0.000 0.000) 0.000 17.348 ( 0.000 0.000 0.000) 0.000 18.966 ( 0.000 0.000 0.000) 0.000 19.690 ( 0.000 0.000 0.000) 0.000 21.097 ( 0.000 0.000 0.000) 0.000 21.175 ( 0.000 0.000 0.000) 0.000 25.424 ( 0.000 0.000 0.000) 0.000 25.757 ( 0.000 0.000 0.000) 0.000 27.179 ( 0.000 0.000 0.000) 0.000 27.355 ( 0.000 0.000 0.000) 0.000 28.390 ( 0.000 0.000 0.000) 0.000 28.467 ( 0.000 0.000 0.000) 0.000 29.081 ( 0.000 0.000 0.000) 0.000 29.108 ( 0.000 0.000 0.000) 0.000 31.579 ( 0.000 0.000 0.000) 0.000 31.606 ( 0.000 0.000 0.000) 0.000 32.851 ( 0.000 0.000 0.000) 0.000 32.875 ( 0.000 0.000 0.000) 0.000 33.017 ( 0.000 0.000 0.000) 0.000 33.400 ( 0.000 0.000 0.000) 0.000 33.489 ( 0.000 0.000 0.000) 0.000 33.661 ( 0.000 0.000 0.000) 0.000 33.777 ( 0.000 0.000 0.000) 0.000 34.205 ( 0.000 0.000 0.000) 0.000 34.985 ( 0.000 0.000 0.000) 0.000 35.800 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/117) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 3.442 -21.804 8.141) 23.528 0.546 ( 17.830 -19.941 11.225) 29.010 0.942 ( -7.507 -11.736 -4.330) 14.589 1.111 ( 18.258 -39.636 1.987) 43.685 1.463 ( -2.289 -7.786 0.836) 8.159 1.604 ( 9.578 -15.224 -5.585) 18.833 2.281 ( -0.385 6.411 2.456) 6.876 2.549 ( -3.492 5.518 -4.233) 7.782 2.651 ( -12.809 1.745 -15.044) 19.835 2.789 ( 8.256 -5.575 12.723) 16.160 2.936 ( -1.794 -10.062 6.598) 12.166 2.963 ( 2.245 -0.873 -11.801) 12.045 3.227 ( 7.376 5.205 4.871) 10.258 3.336 ( -0.265 0.664 -1.094) 1.307 3.477 ( -14.657 0.069 -6.445) 16.012 3.617 ( 3.508 2.089 5.700) 7.011 3.785 ( 1.354 -1.617 -0.042) 2.109 4.001 ( -1.695 4.542 1.811) 5.175 4.040 ( -10.437 9.218 4.726) 14.705 4.197 ( 5.276 5.012 -3.079) 7.901 4.231 ( 2.604 0.119 2.278) 3.461 4.361 ( 0.633 -5.114 -1.398) 5.340 4.478 ( -1.059 1.173 1.463) 2.153 4.567 ( -4.137 3.741 -6.689) 8.709 4.598 ( 0.942 -2.276 2.582) 3.569 4.694 ( -2.403 -5.162 -2.137) 6.082 4.743 ( 1.096 -4.041 -1.869) 4.585 4.790 ( -0.607 -0.243 2.978) 3.049 4.914 ( -0.265 -4.029 3.133) 5.111 5.099 ( -0.977 2.295 -0.797) 2.618 5.140 ( -3.516 0.498 -3.105) 4.717 5.169 ( -4.970 -3.982 -3.201) 7.128 5.304 ( 3.117 -0.128 -1.480) 3.453 5.472 ( 0.376 1.917 -2.457) 3.139 5.504 ( 11.486 -0.496 3.543) 12.030 5.558 ( 10.226 -0.312 2.834) 10.616 5.741 ( -1.424 3.742 3.863) 5.564 5.955 ( -1.184 -0.972 -3.067) 3.429 5.978 ( 2.203 -0.814 -1.016) 2.559 6.054 ( -0.405 2.517 -0.860) 2.690 6.063 ( -2.116 -1.262 0.287) 2.480 6.366 ( -5.898 6.729 0.707) 8.976 6.476 ( 9.567 8.792 0.272) 12.996 6.596 ( -1.175 5.061 -1.536) 5.418 6.772 ( 7.140 3.165 -1.354) 7.927 6.833 ( -3.278 2.027 -1.786) 4.248 6.883 ( 0.932 3.901 2.498) 4.725 6.941 ( -0.344 2.539 0.535) 2.618 7.134 ( -0.411 1.710 -1.255) 2.160 7.270 ( 0.386 -7.189 -0.005) 7.199 7.703 ( -0.702 4.031 -1.621) 4.401 7.950 ( -0.641 0.833 -0.872) 1.365 8.073 ( -5.715 3.235 -0.045) 6.567 8.179 ( 0.902 -5.283 -0.906) 5.435 8.374 ( 0.259 -0.306 0.478) 0.623 8.747 ( -28.106 -2.906 -13.453) 31.295 9.451 ( -1.776 -5.572 -0.159) 5.850 9.510 ( 4.432 -2.108 2.098) 5.338 9.766 ( 1.036 -0.033 0.412) 1.115 10.003 ( -1.737 0.046 -0.717) 1.880 10.227 ( -0.269 1.429 0.728) 1.626 10.404 ( -3.833 -0.112 -1.565) 4.142 10.920 ( 1.484 -2.081 0.698) 2.650 11.230 ( 0.194 -0.792 -0.583) 1.002 12.414 ( 1.666 -1.102 0.996) 2.232 12.481 ( -1.072 -1.695 -0.971) 2.228 13.472 ( -1.063 1.585 0.838) 2.085 13.503 ( -1.952 -0.319 -2.995) 3.589 13.732 ( 16.978 8.188 16.207) 24.858 13.896 ( 1.147 0.497 -1.475) 1.934 14.416 ( 5.482 1.329 7.788) 9.616 14.475 ( 0.053 0.330 0.269) 0.429 14.687 ( 4.921 4.640 6.397) 9.309 14.903 ( -6.472 4.249 -2.516) 8.141 15.224 ( -0.056 -1.473 1.042) 1.805 15.398 ( -1.241 0.790 0.390) 1.522 15.729 ( 0.239 0.988 0.963) 1.401 15.772 ( -3.119 -0.927 1.002) 3.405 16.172 ( 10.837 3.306 -3.830) 11.960 16.195 ( 1.014 0.297 -1.726) 2.023 16.411 ( 6.843 2.639 2.805) 7.852 16.838 ( -4.224 1.686 -3.411) 5.685 17.170 ( 16.198 3.351 15.145) 22.427 17.356 ( 1.063 -0.469 -0.674) 1.343 19.017 ( 14.725 4.114 15.461) 21.744 19.651 ( -5.250 2.179 -2.766) 6.322 21.197 ( -0.494 -2.274 -0.680) 2.424 21.324 ( -3.715 -2.466 0.931) 4.555 25.500 ( 29.390 13.207 24.898) 40.720 25.691 ( -0.680 6.159 -2.266) 6.597 27.167 ( 0.051 1.191 -1.019) 1.568 27.398 ( 1.072 2.505 1.153) 2.958 28.396 ( 0.028 -0.636 -0.150) 0.654 28.466 ( 0.338 0.348 -0.008) 0.485 29.091 ( 0.812 -0.458 -0.327) 0.987 29.114 ( -0.029 -0.642 0.176) 0.666 31.623 ( 0.028 -1.647 0.067) 1.649 31.818 ( -4.892 -3.204 3.340) 6.734 32.857 ( 1.321 -0.381 -2.137) 2.541 32.930 ( 1.418 -3.669 -4.340) 5.857 33.047 ( 1.360 -2.482 0.692) 2.914 33.541 ( -0.806 -5.143 0.384) 5.220 33.631 ( -3.487 0.738 0.816) 3.656 33.853 ( 1.813 -7.566 2.155) 8.073 34.131 ( -2.090 -0.613 -1.240) 2.506 34.933 ( -14.764 -3.165 23.432) 27.876 35.189 ( -6.359 -1.825 -43.962) 44.457 35.759 ( 1.825 4.711 0.898) 5.131 ======================= Grid point 2 (3/117) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 2.367 -7.468 0.305) 7.840 1.027 ( 2.681 -22.034 2.268) 22.312 1.263 ( 4.550 -21.990 6.089) 23.267 1.574 ( 8.558 -6.531 5.457) 12.070 1.949 ( 0.000 -15.303 -6.150) 16.493 2.035 ( 7.119 -31.265 2.618) 32.172 2.232 ( 4.335 -6.272 -1.064) 7.698 2.435 ( -6.764 -0.450 -0.573) 6.803 2.589 ( -0.167 0.503 -9.052) 9.067 2.869 ( 3.619 1.418 -1.016) 4.018 3.013 ( -5.033 -3.835 -0.275) 6.333 3.133 ( 1.381 -6.180 9.076) 11.067 3.160 ( 5.054 -0.558 -1.239) 5.233 3.325 ( -2.086 -0.257 -1.712) 2.711 3.411 ( -10.755 -2.370 -5.006) 12.098 3.625 ( 3.286 1.442 4.329) 5.623 3.756 ( 0.538 4.644 -2.383) 5.247 3.786 ( -9.856 8.085 3.311) 13.171 3.938 ( 0.168 2.544 -1.103) 2.778 4.115 ( 2.442 4.359 -2.188) 5.454 4.254 ( 0.453 -1.291 6.950) 7.083 4.370 ( -1.288 4.137 -0.933) 4.432 4.442 ( -1.215 1.316 -1.281) 2.202 4.509 ( -0.902 2.842 -3.454) 4.564 4.625 ( -2.237 -3.320 2.995) 5.000 4.755 ( -2.257 -1.426 -0.403) 2.700 4.802 ( 0.220 -1.831 3.400) 3.868 4.874 ( 2.727 -4.464 -5.475) 7.573 4.989 ( 0.622 -1.025 -2.686) 2.942 5.051 ( 3.641 1.397 3.233) 5.065 5.096 ( -3.723 -0.348 -5.115) 6.336 5.174 ( -8.461 -1.599 -3.909) 9.456 5.323 ( 5.313 1.721 4.365) 7.088 5.426 ( 1.726 3.198 -3.956) 5.372 5.559 ( 7.457 1.913 1.503) 7.844 5.614 ( 6.044 2.649 3.270) 7.365 5.699 ( 2.155 -0.167 2.881) 3.602 5.924 ( -1.072 2.416 0.501) 2.691 5.978 ( -1.074 1.983 -1.512) 2.715 5.996 ( -4.337 5.156 -4.288) 7.987 6.074 ( -0.015 -1.752 6.348) 6.586 6.183 ( 3.792 5.890 0.971) 7.072 6.412 ( 8.977 4.371 1.636) 10.118 6.457 ( 1.112 8.852 -1.136) 8.994 6.679 ( -5.124 5.955 -6.336) 10.093 6.777 ( 0.788 2.793 1.911) 3.475 6.859 ( -1.601 -0.402 1.192) 2.036 6.911 ( 0.438 0.590 3.184) 3.268 7.076 ( -1.484 3.208 -1.684) 3.916 7.387 ( -1.388 -4.466 -2.390) 5.252 7.615 ( 3.580 4.987 2.287) 6.551 7.902 ( -2.204 4.970 -2.935) 6.178 7.976 ( 0.599 1.869 2.552) 3.219 8.288 ( -3.332 -4.895 -1.397) 6.084 8.357 ( -0.375 1.953 0.788) 2.139 8.664 ( -14.827 -3.880 -9.176) 17.863 9.534 ( -1.656 -4.438 0.504) 4.764 9.596 ( 1.417 -3.638 1.331) 4.125 9.777 ( 3.137 0.206 1.254) 3.384 9.979 ( -0.324 1.883 -0.200) 1.921 10.188 ( -0.171 2.324 1.265) 2.651 10.374 ( -2.319 1.065 -1.213) 2.826 10.989 ( 2.833 -3.416 1.449) 4.668 11.249 ( -2.692 -1.953 -1.650) 3.713 12.456 ( 2.817 -1.546 1.781) 3.674 12.513 ( -1.692 -2.423 -1.600) 3.361 13.428 ( -0.263 2.448 0.655) 2.548 13.489 ( -1.241 0.557 -1.872) 2.314 13.682 ( 9.667 5.625 9.232) 14.502 13.889 ( 0.489 0.821 -2.681) 2.846 14.433 ( 3.933 0.241 4.687) 6.123 14.465 ( 0.608 1.078 0.878) 1.518 14.615 ( -0.535 4.122 0.536) 4.191 14.749 ( -10.355 5.356 -4.560) 12.519 15.256 ( -0.466 -1.770 0.981) 2.076 15.371 ( -0.423 1.280 -0.652) 1.497 15.711 ( -0.167 0.957 1.532) 1.814 15.765 ( -2.764 -0.274 1.320) 3.075 16.166 ( 0.178 0.555 -1.932) 2.018 16.204 ( 4.982 0.924 -1.131) 5.192 16.410 ( 10.462 3.137 5.091) 12.050 16.760 ( -6.921 2.457 -5.992) 9.478 17.221 ( 10.254 0.501 7.329) 12.614 17.374 ( 1.303 -0.552 -1.074) 1.777 19.042 ( 11.581 2.342 10.611) 15.881 19.550 ( -8.995 3.275 -5.187) 10.888 21.246 ( -0.812 -2.966 -0.899) 3.204 21.354 ( -0.429 -1.802 0.514) 1.923 25.417 ( 12.854 9.554 9.561) 18.652 25.540 ( -0.476 8.326 -2.516) 8.711 27.137 ( -0.120 1.743 -1.591) 2.363 27.340 ( 1.995 4.449 0.766) 4.936 28.411 ( 0.066 -0.783 -0.257) 0.827 28.460 ( 0.445 0.561 0.053) 0.718 29.106 ( 0.268 -0.612 -0.244) 0.712 29.128 ( -0.058 -0.707 0.258) 0.755 31.664 ( 0.196 -2.406 0.198) 2.422 31.865 ( -2.480 -3.979 1.715) 4.992 32.876 ( 0.578 -0.881 -2.337) 2.563 33.024 ( -1.164 -5.772 -1.932) 6.197 33.111 ( 2.350 -2.478 1.119) 3.594 33.551 ( -4.250 2.099 1.021) 4.849 33.711 ( 2.852 -8.652 1.099) 9.176 34.053 ( 3.655 -10.787 -0.918) 11.426 34.149 ( -4.076 -3.735 0.835) 5.591 34.901 ( -8.559 -0.552 12.336) 15.024 35.159 ( -5.001 0.186 -20.246) 20.855 35.654 ( 2.361 7.356 1.105) 7.804 ======================= Grid point 3 (4/117) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -3.266 -12.096 -1.658) 12.638 1.379 ( 1.439 -13.630 -0.525) 13.715 1.689 ( 6.642 -17.259 5.513) 19.297 1.825 ( 7.098 -13.252 8.013) 17.036 2.078 ( -2.747 -5.645 -7.691) 9.928 2.312 ( -1.559 -9.539 5.942) 11.346 2.497 ( 0.124 -9.281 -2.994) 9.752 2.544 ( 10.580 1.331 -6.427) 12.450 2.655 ( 1.601 -4.142 4.318) 6.194 2.888 ( -2.976 -4.197 -3.822) 6.409 3.089 ( -1.228 -12.975 1.025) 13.073 3.190 ( -8.325 0.745 -5.126) 9.805 3.239 ( 2.634 -0.667 7.293) 7.783 3.333 ( 0.537 -3.676 1.499) 4.006 3.461 ( 1.314 -4.849 -2.911) 5.806 3.565 ( 0.492 6.127 -3.016) 6.846 3.584 ( -4.729 4.910 -1.227) 6.927 3.719 ( 0.077 1.263 1.683) 2.106 3.925 ( -0.865 -2.439 -1.994) 3.266 4.098 ( 2.398 0.403 2.960) 3.831 4.213 ( 0.868 10.112 -0.520) 10.163 4.265 ( -2.419 -0.143 4.066) 4.733 4.403 ( -5.128 5.426 -5.064) 9.022 4.468 ( 3.209 -1.856 4.169) 5.579 4.666 ( 1.921 -0.754 4.070) 4.563 4.731 ( -3.070 -1.081 -2.953) 4.395 4.842 ( -1.466 5.402 -4.045) 6.906 4.878 ( -0.512 -3.057 0.357) 3.120 4.952 ( -7.232 2.689 -2.247) 8.037 4.994 ( 3.343 3.218 1.278) 4.813 5.128 ( -9.052 -2.510 -2.848) 9.816 5.246 ( 6.342 -4.959 -2.612) 8.463 5.306 ( 5.934 3.755 7.861) 10.540 5.368 ( 3.305 4.014 -7.650) 9.250 5.515 ( -0.206 6.745 5.642) 8.796 5.535 ( 3.718 4.380 1.001) 5.832 5.689 ( -0.203 2.471 -1.384) 2.840 5.867 ( -5.177 2.735 -4.188) 7.199 5.894 ( -0.074 0.751 -3.519) 3.599 5.965 ( 2.981 -0.925 6.576) 7.279 6.117 ( 3.086 -0.994 4.008) 5.155 6.152 ( 3.343 2.354 1.385) 4.317 6.274 ( 1.297 9.552 0.119) 9.641 6.437 ( 5.754 0.366 1.220) 5.893 6.539 ( -4.899 3.306 -5.285) 7.928 6.736 ( -0.678 1.519 0.635) 1.781 6.828 ( -3.494 0.694 -0.898) 3.674 6.937 ( 0.700 -1.558 4.093) 4.435 7.025 ( 0.251 1.072 -0.854) 1.394 7.403 ( -3.348 0.763 -3.290) 4.756 7.571 ( 6.574 3.093 3.671) 8.140 7.797 ( -3.586 3.123 -5.617) 7.360 7.977 ( 3.338 0.527 4.097) 5.311 8.263 ( -5.626 2.271 3.654) 7.083 8.353 ( -1.313 -0.843 -6.670) 6.850 8.690 ( -4.963 -4.364 -2.656) 7.122 9.599 ( -2.584 -3.198 -0.584) 4.153 9.651 ( 0.373 -1.972 1.837) 2.721 9.803 ( 4.275 -0.383 1.979) 4.727 9.929 ( -1.108 2.749 -0.894) 3.095 10.146 ( 0.386 1.983 1.491) 2.511 10.338 ( -1.884 1.247 -1.412) 2.664 11.079 ( 3.880 -3.503 2.173) 5.661 11.265 ( -4.117 -1.801 -2.429) 5.108 12.503 ( 3.466 -1.157 2.385) 4.364 12.546 ( -2.335 -2.223 -2.144) 3.872 13.382 ( 0.193 2.148 0.426) 2.198 13.465 ( -1.149 1.101 -1.223) 2.007 13.658 ( 8.769 3.098 7.287) 11.815 13.865 ( -1.911 1.182 -3.794) 4.409 14.434 ( 1.214 2.941 1.636) 3.577 14.455 ( 4.389 0.796 4.083) 6.047 14.535 ( -3.219 2.598 -2.110) 4.643 14.606 ( -9.755 1.873 -4.729) 11.002 15.281 ( -0.655 -1.047 0.306) 1.273 15.352 ( -0.353 0.313 -0.831) 0.955 15.690 ( -1.123 0.812 1.080) 1.757 15.750 ( -2.153 0.190 1.334) 2.540 16.160 ( 0.956 0.291 -0.146) 1.010 16.214 ( 3.258 0.792 -0.559) 3.399 16.425 ( 10.907 2.492 5.955) 12.674 16.662 ( -8.578 2.213 -7.529) 11.626 17.277 ( 7.386 -0.253 4.359) 8.580 17.389 ( 0.708 -0.343 -1.226) 1.457 19.078 ( 11.712 1.860 9.567) 15.236 19.423 ( -10.992 3.026 -6.909) 13.331 21.291 ( -0.936 -2.260 -0.797) 2.572 21.383 ( 0.290 -1.186 0.392) 1.282 25.313 ( 5.579 7.221 3.328) 9.713 25.390 ( 0.455 6.901 -0.997) 6.988 27.104 ( -0.418 1.346 -1.589) 2.124 27.261 ( 1.802 4.793 0.800) 5.183 28.424 ( 0.068 -0.506 -0.341) 0.614 28.452 ( 0.358 0.504 0.192) 0.647 29.115 ( 0.027 -0.290 -0.154) 0.330 29.138 ( -0.078 -0.391 0.233) 0.462 31.711 ( 0.335 -2.242 0.265) 2.282 31.934 ( -1.293 -4.075 0.864) 4.362 32.893 ( -0.006 -0.756 -1.939) 2.081 33.111 ( -3.517 -3.995 -0.260) 5.329 33.168 ( 3.085 -2.013 0.427) 3.709 33.480 ( -1.312 3.092 0.952) 3.491 33.915 ( 3.975 -9.642 1.623) 10.554 34.195 ( -4.067 -5.011 -5.309) 8.357 34.312 ( 3.773 -11.630 4.099) 12.895 34.859 ( -7.107 0.047 8.623) 11.174 35.104 ( -3.957 1.993 -11.905) 12.703 35.525 ( 1.710 6.986 0.706) 7.227 ======================= Grid point 4 (5/117) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -3.012 -9.321 -0.603) 9.814 1.612 ( 3.276 -9.554 0.240) 10.103 1.960 ( 3.455 -7.595 -0.282) 8.349 2.073 ( -1.501 -7.378 -4.570) 8.808 2.208 ( 1.590 -8.086 9.199) 12.351 2.466 ( 8.161 0.144 -0.099) 8.163 2.559 ( -1.192 -6.409 1.985) 6.814 2.613 ( 0.359 -2.092 2.977) 3.656 2.763 ( 0.701 -9.441 -1.749) 9.627 2.967 ( -3.758 -1.882 -5.227) 6.707 3.080 ( -3.975 -2.551 -3.461) 5.855 3.200 ( 0.688 7.346 -3.899) 8.345 3.274 ( -0.473 1.700 8.832) 9.007 3.359 ( 4.643 1.805 1.653) 5.249 3.498 ( -2.272 -2.320 -0.440) 3.277 3.512 ( -2.218 1.073 -3.676) 4.425 3.567 ( 2.986 -4.235 -1.405) 5.369 3.737 ( -0.122 -2.617 -0.588) 2.685 3.955 ( -3.626 1.842 -1.729) 4.420 4.008 ( 1.132 7.079 0.376) 7.179 4.070 ( 1.239 5.670 -2.697) 6.399 4.246 ( -6.013 1.801 6.529) 9.057 4.314 ( -2.172 -2.424 0.965) 3.395 4.551 ( 8.137 -2.102 4.160) 9.377 4.688 ( -2.254 0.368 -2.436) 3.339 4.748 ( 1.125 0.706 -3.914) 4.133 4.771 ( 0.138 1.415 -1.016) 1.748 4.841 ( -3.120 -0.664 3.457) 4.704 4.877 ( 2.570 1.173 -2.942) 4.079 4.995 ( -0.375 -1.124 1.696) 2.069 5.111 ( -12.047 -1.768 -1.291) 12.245 5.205 ( -2.009 6.201 -6.100) 8.927 5.260 ( 6.392 6.436 5.740) 10.734 5.384 ( 6.891 0.211 -6.888) 9.746 5.452 ( -0.822 -0.419 6.677) 6.741 5.490 ( 3.774 2.132 3.494) 5.567 5.652 ( -1.068 0.729 -3.033) 3.297 5.785 ( -4.428 2.099 -1.653) 5.172 5.889 ( -0.520 -0.095 -3.409) 3.450 6.016 ( 3.161 -1.104 4.814) 5.864 6.114 ( -0.852 3.234 -1.014) 3.494 6.131 ( 5.286 4.939 5.730) 9.229 6.159 ( 0.397 -1.132 -0.081) 1.202 6.367 ( -7.265 2.653 -5.793) 9.663 6.575 ( 9.566 -1.263 3.651) 10.317 6.709 ( -3.017 0.125 -1.046) 3.196 6.833 ( -2.835 -3.576 -1.621) 4.843 6.949 ( 0.591 1.062 3.048) 3.281 7.036 ( 0.802 -1.315 -0.345) 1.579 7.349 ( -3.442 1.552 -2.353) 4.449 7.580 ( 6.840 1.080 3.614) 7.811 7.723 ( -3.344 2.016 -4.909) 6.272 7.977 ( 1.932 1.668 1.613) 3.019 8.196 ( -2.916 1.618 3.777) 5.038 8.348 ( -1.565 -0.110 -5.108) 5.343 8.735 ( -1.410 -2.128 -0.113) 2.555 9.615 ( -2.495 -0.696 -1.213) 2.860 9.697 ( 1.764 -1.800 2.562) 3.594 9.835 ( 2.530 -0.310 1.516) 2.966 9.870 ( -1.733 1.972 -1.723) 3.140 10.124 ( 0.724 0.764 1.192) 1.590 10.306 ( -1.315 0.923 -1.172) 1.989 11.165 ( 4.605 -2.469 2.741) 5.901 11.261 ( -4.833 -0.738 -2.927) 5.699 12.541 ( 3.715 -0.322 2.795) 4.660 12.564 ( -3.014 -1.505 -2.623) 4.270 13.352 ( 0.265 1.135 0.250) 1.192 13.438 ( -0.659 0.883 -0.571) 1.241 13.675 ( 7.918 0.983 5.920) 9.936 13.816 ( -4.738 1.384 -4.540) 6.707 14.386 ( 0.550 1.774 0.791) 2.019 14.433 ( 1.683 3.357 1.416) 4.014 14.502 ( -1.614 -0.709 -0.927) 1.992 14.555 ( -4.599 -0.613 -2.156) 5.116 15.289 ( -0.348 -0.269 -0.134) 0.460 15.352 ( -0.368 -0.382 -0.444) 0.692 15.669 ( -1.163 0.537 0.417) 1.347 15.735 ( -1.172 0.284 0.821) 1.459 16.166 ( 1.676 0.083 0.817) 1.866 16.213 ( 1.172 0.590 -0.417) 1.376 16.455 ( 10.264 1.565 6.626) 12.317 16.570 ( -9.423 1.097 -7.950) 12.378 17.321 ( 4.381 -0.302 2.367) 4.989 17.395 ( -0.128 -0.109 -1.045) 1.058 19.126 ( 11.887 1.132 8.951) 14.923 19.301 ( -11.664 1.811 -7.825) 14.162 21.318 ( -0.684 -1.109 -0.489) 1.391 21.401 ( 0.268 -0.540 0.257) 0.655 25.227 ( 1.715 3.877 0.649) 4.288 25.290 ( 0.693 3.804 0.044) 3.867 27.084 ( -0.525 0.354 -1.119) 1.286 27.190 ( 1.156 3.376 0.692) 3.634 28.430 ( 0.022 -0.156 -0.305) 0.344 28.446 ( 0.212 0.242 0.230) 0.396 29.118 ( -0.049 -0.053 -0.062) 0.095 29.143 ( -0.057 -0.121 0.134) 0.190 31.749 ( 0.265 -1.364 0.173) 1.401 31.995 ( -0.489 -2.602 0.341) 2.669 32.903 ( -0.200 -0.402 -1.054) 1.146 33.130 ( -2.243 -0.629 0.518) 2.386 33.224 ( 0.841 -1.947 -0.062) 2.122 33.431 ( 0.605 1.656 0.325) 1.793 34.105 ( 4.865 -6.640 2.248) 8.533 34.246 ( -4.819 -2.955 -3.899) 6.866 34.543 ( 5.519 -8.780 1.379) 10.462 34.816 ( -7.194 0.227 6.332) 9.586 35.030 ( -1.974 3.108 -7.003) 7.911 35.424 ( 0.762 4.125 0.205) 4.200 ======================= Grid point 5 (6/117) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -0.000 -0.000 0.000) 0.000 1.734 ( 0.000 -0.000 0.000) 0.000 2.068 ( -0.000 -0.000 0.000) 0.000 2.081 ( 0.000 -0.000 -0.000) 0.000 2.312 ( 0.000 -0.000 0.000) 0.000 2.513 ( 0.000 -0.000 0.000) 0.000 2.525 ( 0.000 -0.000 -0.000) 0.000 2.800 ( 0.000 -0.000 0.000) 0.000 2.876 ( 0.000 -0.000 0.000) 0.000 2.951 ( 0.000 -0.000 -0.000) 0.000 2.989 ( 0.000 -0.000 0.000) 0.000 3.201 ( 0.000 -0.000 0.000) 0.000 3.220 ( 0.000 -0.000 0.000) 0.000 3.333 ( 0.000 -0.000 0.000) 0.000 3.486 ( -0.000 -0.000 -0.000) 0.000 3.524 ( 0.000 -0.000 -0.000) 0.000 3.642 ( 0.000 -0.000 0.000) 0.000 3.760 ( 0.000 -0.000 0.000) 0.000 3.894 ( 0.000 -0.000 -0.000) 0.000 3.934 ( 0.000 -0.000 0.000) 0.000 4.006 ( 0.000 0.000 0.000) 0.000 4.234 ( 0.000 -0.000 -0.000) 0.000 4.317 ( 0.000 -0.000 0.000) 0.000 4.632 ( 0.000 -0.000 0.000) 0.000 4.656 ( -0.000 0.000 -0.000) 0.000 4.656 ( 0.000 -0.000 0.000) 0.000 4.815 ( 0.000 -0.000 0.000) 0.000 4.858 ( 0.000 -0.000 0.000) 0.000 4.965 ( 0.000 -0.000 -0.000) 0.000 5.001 ( 0.000 -0.000 0.000) 0.000 5.031 ( -0.000 0.000 -0.000) 0.000 5.123 ( -0.000 -0.000 -0.000) 0.000 5.204 ( 0.000 -0.000 0.000) 0.000 5.397 ( 0.000 -0.000 0.000) 0.000 5.456 ( 0.000 -0.000 -0.000) 0.000 5.496 ( 0.000 -0.000 0.000) 0.000 5.641 ( 0.000 -0.000 -0.000) 0.000 5.748 ( -0.000 -0.000 0.000) 0.000 5.888 ( 0.000 -0.000 -0.000) 0.000 6.042 ( 0.000 -0.000 0.000) 0.000 6.056 ( 0.000 -0.000 0.000) 0.000 6.118 ( -0.000 -0.000 -0.000) 0.000 6.174 ( 0.000 -0.000 0.000) 0.000 6.314 ( 0.000 -0.000 0.000) 0.000 6.624 ( 0.000 -0.000 -0.000) 0.000 6.696 ( 0.000 -0.000 0.000) 0.000 6.900 ( -0.000 -0.000 -0.000) 0.000 6.908 ( 0.000 0.000 0.000) 0.000 7.057 ( 0.000 -0.000 0.000) 0.000 7.321 ( 0.000 -0.000 -0.000) 0.000 7.593 ( -0.000 -0.000 -0.000) 0.000 7.694 ( 0.000 -0.000 0.000) 0.000 7.958 ( 0.000 -0.000 0.000) 0.000 8.172 ( -0.000 -0.000 0.000) 0.000 8.342 ( 0.000 -0.000 -0.000) 0.000 8.751 ( 0.000 -0.000 0.000) 0.000 9.612 ( 0.000 -0.000 0.000) 0.000 9.725 ( 0.000 -0.000 0.000) 0.000 9.834 ( -0.000 -0.000 -0.000) 0.000 9.854 ( 0.000 -0.000 0.000) 0.000 10.120 ( 0.000 -0.000 0.000) 0.000 10.291 ( 0.000 -0.000 -0.000) 0.000 11.225 ( 0.000 -0.000 0.000) 0.000 11.231 ( -0.000 0.000 -0.000) 0.000 12.561 ( 0.000 0.000 0.000) 0.000 12.565 ( -0.000 -0.000 -0.000) 0.000 13.342 ( 0.000 -0.000 0.000) 0.000 13.427 ( 0.000 -0.000 0.000) 0.000 13.703 ( 0.000 -0.000 0.000) 0.000 13.775 ( 0.000 -0.000 0.000) 0.000 14.386 ( 0.000 -0.000 0.000) 0.000 14.388 ( 0.000 0.000 -0.000) 0.000 14.507 ( 0.000 -0.000 -0.000) 0.000 14.549 ( 0.000 -0.000 0.000) 0.000 15.290 ( 0.000 -0.000 0.000) 0.000 15.355 ( 0.000 -0.000 -0.000) 0.000 15.660 ( 0.000 -0.000 -0.000) 0.000 15.728 ( 0.000 -0.000 0.000) 0.000 16.172 ( 0.000 -0.000 0.000) 0.000 16.210 ( -0.000 -0.000 -0.000) 0.000 16.499 ( -0.000 -0.000 -0.000) 0.000 16.502 ( 0.000 0.000 0.000) 0.000 17.340 ( 0.000 -0.000 0.000) 0.000 17.394 ( 0.000 -0.000 0.000) 0.000 19.177 ( 0.000 -0.000 -0.000) 0.000 19.221 ( 0.000 -0.000 0.000) 0.000 21.326 ( 0.000 -0.000 0.000) 0.000 21.407 ( 0.000 -0.000 0.000) 0.000 25.195 ( 0.000 -0.000 0.000) 0.000 25.256 ( 0.000 -0.000 0.000) 0.000 27.080 ( 0.000 -0.000 0.000) 0.000 27.159 ( 0.000 -0.000 -0.000) 0.000 28.431 ( 0.000 -0.000 -0.000) 0.000 28.445 ( 0.000 -0.000 0.000) 0.000 29.118 ( 0.000 -0.000 0.000) 0.000 29.144 ( 0.000 -0.000 0.000) 0.000 31.763 ( 0.000 -0.000 0.000) 0.000 32.019 ( 0.000 -0.000 0.000) 0.000 32.906 ( 0.000 -0.000 -0.000) 0.000 33.127 ( 0.000 -0.000 0.000) 0.000 33.244 ( -0.000 -0.000 0.000) 0.000 33.419 ( 0.000 -0.000 0.000) 0.000 34.204 ( 0.000 -0.000 0.000) 0.000 34.243 ( 0.000 -0.000 -0.000) 0.000 34.675 ( 0.000 -0.000 -0.000) 0.000 34.771 ( 0.000 -0.000 -0.000) 0.000 34.985 ( 0.000 -0.000 0.000) 0.000 35.386 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 12 (7/117) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.320 ( 25.502 0.000 -6.120) 26.226 0.361 ( 28.055 0.000 6.099) 28.710 0.684 ( 51.976 0.000 35.116) 62.727 1.072 ( 1.778 0.000 -0.896) 1.991 1.289 ( 10.126 0.000 0.288) 10.130 1.598 ( 4.840 0.000 -23.956) 24.440 2.366 ( -0.701 -0.000 -0.178) 0.723 2.590 ( -19.411 -0.000 -11.972) 22.806 2.604 ( -3.172 -0.000 -1.490) 3.505 2.717 ( -2.347 -0.000 -3.383) 4.117 2.768 ( -1.633 -0.000 0.841) 1.837 3.013 ( 2.176 0.000 -12.808) 12.992 3.324 ( -5.668 -0.000 -5.632) 7.990 3.374 ( -14.011 -0.000 -9.057) 16.683 3.383 ( 18.215 0.000 10.149) 20.852 3.645 ( -9.043 -0.000 13.063) 15.888 3.762 ( 4.996 0.000 -0.521) 5.023 4.048 ( -13.186 -0.000 6.344) 14.632 4.121 ( 0.711 0.000 -0.482) 0.859 4.189 ( -2.902 -0.000 2.261) 3.679 4.294 ( -2.634 -0.000 5.780) 6.352 4.297 ( 7.337 0.000 -2.741) 7.832 4.463 ( -5.052 -0.000 -0.742) 5.106 4.532 ( -0.361 -0.000 1.832) 1.867 4.614 ( 0.736 0.000 -4.489) 4.549 4.648 ( 6.147 0.000 4.067) 7.371 4.715 ( 1.971 0.000 -2.114) 2.890 4.760 ( -0.072 -0.000 -2.088) 2.089 4.785 ( 8.394 0.000 2.400) 8.730 5.110 ( -2.075 -0.000 -2.792) 3.479 5.123 ( 4.256 0.000 -7.229) 8.388 5.177 ( 0.405 0.000 -3.480) 3.504 5.321 ( 3.669 0.000 -0.228) 3.676 5.495 ( 0.574 0.000 -3.524) 3.570 5.552 ( 12.366 0.000 12.004) 17.234 5.650 ( -1.286 -0.000 -3.185) 3.434 5.788 ( -6.754 -0.000 18.414) 19.613 5.935 ( -4.792 -0.000 5.512) 7.304 5.945 ( 1.689 0.000 -8.154) 8.327 6.077 ( -0.969 -0.000 -1.069) 1.443 6.122 ( 0.376 0.000 -34.593) 34.595 6.374 ( -1.323 -0.000 -0.616) 1.460 6.518 ( 6.680 0.000 6.235) 9.138 6.684 ( 5.247 0.000 1.150) 5.371 6.837 ( -3.177 -0.000 0.675) 3.248 6.873 ( -6.686 -0.000 -2.753) 7.231 7.005 ( -0.065 -0.000 -2.953) 2.953 7.126 ( -3.366 -0.000 -2.196) 4.019 7.165 ( 1.555 0.000 0.101) 1.558 7.264 ( 0.961 0.000 -46.178) 46.188 7.386 ( 1.390 0.000 -0.211) 1.406 7.819 ( -1.678 -0.000 -1.850) 2.498 8.070 ( 1.013 0.000 13.857) 13.893 8.119 ( 4.761 0.000 3.277) 5.780 8.369 ( 0.519 0.000 0.370) 0.637 8.432 ( -7.739 -0.000 -2.101) 8.019 9.392 ( 1.018 0.000 0.803) 1.297 9.488 ( 1.596 0.000 -0.856) 1.811 9.773 ( 1.365 0.000 0.555) 1.473 9.956 ( 0.422 0.000 0.052) 0.425 10.250 ( 1.266 0.000 0.570) 1.389 10.354 ( -1.718 -0.000 -1.238) 2.118 10.911 ( 2.368 0.000 1.368) 2.735 11.229 ( -4.522 -0.000 -3.243) 5.565 12.420 ( 3.302 0.000 1.885) 3.802 12.454 ( -1.684 -0.000 -1.737) 2.419 13.475 ( -0.649 -0.000 0.128) 0.662 13.494 ( -0.040 -0.000 0.197) 0.202 13.886 ( -1.837 -0.000 -1.444) 2.336 13.980 ( -1.038 -0.000 7.084) 7.160 14.478 ( -0.063 -0.000 0.314) 0.320 14.485 ( -0.813 -0.000 7.620) 7.664 14.886 ( -11.796 -0.000 -4.474) 12.615 14.978 ( -1.905 -0.000 44.158) 44.199 15.218 ( 1.392 0.000 0.532) 1.490 15.362 ( 0.242 0.000 -0.048) 0.247 15.736 ( -1.820 -0.000 0.064) 1.821 15.743 ( 0.478 0.000 1.563) 1.634 16.182 ( -0.181 -0.000 -0.920) 0.938 16.438 ( 0.998 0.000 -24.247) 24.268 16.475 ( 9.766 0.000 4.600) 10.795 16.848 ( -3.358 -0.000 -1.304) 3.602 17.355 ( 1.082 0.000 -2.268) 2.513 17.616 ( -2.876 -0.000 40.466) 40.568 19.592 ( -2.322 -0.000 93.487) 93.516 19.622 ( -10.118 -0.000 -5.128) 11.343 21.126 ( 4.169 0.000 1.383) 4.392 21.172 ( -0.568 -0.000 0.004) 0.568 25.736 ( -2.907 -0.000 -5.574) 6.287 26.774 ( -10.836 -0.000 191.390) 191.697 27.182 ( 0.405 0.000 1.702) 1.749 27.385 ( 4.531 0.000 0.015) 4.531 28.390 ( 0.061 0.000 -0.154) 0.166 28.472 ( 0.788 0.000 -0.051) 0.789 29.107 ( -0.083 -0.000 0.330) 0.341 29.135 ( -0.289 -0.000 3.527) 3.539 31.580 ( 0.180 0.000 -0.114) 0.213 31.606 ( 0.049 0.000 0.113) 0.123 32.853 ( 0.469 0.000 -0.594) 0.757 33.009 ( -1.029 -0.000 -2.466) 2.672 33.158 ( 3.159 0.000 -37.466) 37.599 33.386 ( -2.018 -0.000 0.369) 2.052 33.498 ( 1.256 0.000 -0.297) 1.291 33.656 ( -0.717 -0.000 -0.773) 1.054 34.168 ( -5.812 -0.000 1.785) 6.080 34.357 ( 3.263 0.000 -48.055) 48.165 35.128 ( 3.597 0.000 -66.294) 66.392 35.818 ( 2.571 0.000 2.735) 3.754 ======================= Grid point 13 (8/117) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 5.303 -16.036 5.577) 17.787 0.912 ( 3.576 -6.560 -0.350) 7.480 0.933 ( 32.645 -7.918 17.167) 37.723 1.389 ( 21.252 -32.242 0.272) 38.617 1.525 ( 14.618 -10.541 5.745) 18.916 1.701 ( 6.085 -10.312 -9.152) 15.071 2.271 ( -2.489 5.608 1.678) 6.361 2.416 ( -15.421 4.715 1.195) 16.170 2.547 ( -1.584 -1.983 -17.077) 17.264 2.838 ( -2.388 -10.447 0.290) 10.720 2.907 ( -2.841 -10.035 5.718) 11.894 2.967 ( -0.541 3.048 -10.300) 10.755 3.246 ( -14.553 0.915 -11.126) 18.341 3.324 ( -1.217 -0.598 -2.992) 3.285 3.397 ( 10.993 8.047 9.810) 16.788 3.627 ( -1.497 -1.874 14.255) 14.455 3.781 ( -3.028 0.553 -0.873) 3.200 3.887 ( -10.145 7.277 2.378) 12.710 4.016 ( 1.071 4.563 1.179) 4.833 4.161 ( -4.378 4.088 0.805) 6.043 4.286 ( -3.175 -2.850 1.011) 4.385 4.378 ( 4.428 -0.570 -0.120) 4.466 4.447 ( -1.890 0.607 -1.188) 2.313 4.507 ( -2.489 0.697 -1.935) 3.229 4.616 ( 0.768 2.441 3.804) 4.584 4.713 ( 4.663 -1.476 -2.068) 5.310 4.731 ( -3.994 -5.886 -0.239) 7.117 4.810 ( 4.243 -3.926 -6.487) 8.689 4.941 ( 3.749 -4.592 1.222) 6.053 5.080 ( -2.937 1.029 -5.694) 6.489 5.115 ( 3.432 3.507 -1.391) 5.100 5.145 ( 0.502 1.078 -7.175) 7.273 5.359 ( 4.921 -1.017 3.063) 5.885 5.480 ( 1.666 1.693 -6.397) 6.823 5.610 ( 3.965 -0.048 4.607) 6.078 5.698 ( 2.483 -1.119 7.148) 7.649 5.732 ( 6.095 3.393 8.823) 11.248 5.936 ( -2.038 -2.890 0.899) 3.649 5.985 ( -1.343 -1.641 -3.602) 4.180 6.031 ( -1.213 3.512 -3.130) 4.858 6.053 ( 0.523 1.402 -2.951) 3.308 6.333 ( 0.152 5.854 1.330) 6.005 6.562 ( 1.553 2.104 0.754) 2.722 6.627 ( 8.065 8.588 2.629) 12.071 6.771 ( -5.877 5.186 -6.218) 10.005 6.804 ( -3.771 0.877 -0.564) 3.912 6.915 ( 2.705 5.734 1.287) 6.469 6.970 ( 6.042 6.214 1.833) 8.859 7.106 ( -4.237 1.382 -3.970) 5.968 7.290 ( 2.967 -5.014 -0.261) 5.831 7.675 ( -3.694 -3.330 -6.080) 7.855 7.877 ( -10.632 -8.406 -4.738) 14.358 8.020 ( 0.517 6.077 6.266) 8.744 8.195 ( 1.148 -2.796 -2.812) 4.128 8.378 ( -0.953 0.543 2.218) 2.475 8.427 ( -14.880 -6.902 -8.535) 18.491 9.430 ( -1.404 -3.614 -0.324) 3.891 9.553 ( 1.845 -3.406 0.901) 3.977 9.790 ( 2.510 -0.534 1.102) 2.793 9.986 ( -0.667 -1.162 -0.250) 1.363 10.235 ( 1.505 2.108 1.565) 3.027 10.357 ( -3.156 -0.864 -1.997) 3.834 10.953 ( 3.278 -2.297 1.860) 4.414 11.198 ( -5.015 -0.804 -2.652) 5.730 12.450 ( 1.629 -1.051 0.471) 1.995 12.462 ( 0.299 -1.615 -0.324) 1.674 13.461 ( -0.705 1.137 0.792) 1.555 13.490 ( -0.492 0.261 -0.904) 1.061 13.835 ( -0.613 3.897 2.665) 4.761 13.933 ( 2.956 3.024 1.488) 4.483 14.470 ( 0.707 0.770 4.044) 4.177 14.478 ( 0.731 0.199 1.330) 1.531 14.763 ( -13.672 3.923 -5.010) 15.080 14.790 ( 7.757 12.451 15.986) 21.696 15.229 ( 0.776 -0.764 1.300) 1.696 15.382 ( -1.134 -0.125 -0.156) 1.152 15.720 ( -3.142 0.426 -0.196) 3.177 15.743 ( -0.274 -0.064 2.443) 2.460 16.184 ( 2.201 0.587 0.254) 2.292 16.329 ( 8.234 7.035 -6.383) 12.571 16.530 ( 10.608 1.797 4.707) 11.744 16.772 ( -5.600 3.594 -3.512) 7.524 17.349 ( 3.645 2.537 1.340) 4.639 17.420 ( 10.627 7.566 13.440) 18.730 19.286 ( 20.498 14.570 30.096) 39.221 19.528 ( -13.090 1.795 -6.985) 14.945 21.178 ( -2.280 -2.443 -3.011) 4.498 21.290 ( -0.487 -5.568 3.135) 6.409 25.651 ( -2.994 6.164 -6.055) 9.145 25.983 ( 31.938 37.308 46.349) 67.529 27.168 ( 0.288 1.385 -2.435) 2.816 27.427 ( 3.258 2.231 1.635) 4.274 28.397 ( 0.092 -0.639 -0.355) 0.737 28.474 ( 0.934 0.449 -0.065) 1.039 29.105 ( 1.082 0.509 -0.450) 1.278 29.114 ( -0.028 -0.591 0.498) 0.773 31.623 ( 0.034 -1.753 0.195) 1.764 31.742 ( -6.122 -7.388 4.159) 10.457 32.871 ( 0.877 -0.543 -1.694) 1.983 32.947 ( 1.335 -0.138 -8.180) 8.289 33.084 ( 4.267 -1.624 -0.446) 4.587 33.505 ( -5.290 -2.833 1.589) 6.208 33.593 ( -1.129 -5.120 1.023) 5.342 33.871 ( -0.227 -12.258 4.288) 12.989 34.087 ( -4.262 0.612 -2.004) 4.749 34.672 ( -20.786 -16.127 1.477) 26.350 35.128 ( 0.313 0.042 -35.693) 35.694 35.792 ( 2.919 4.742 2.688) 6.183 ======================= Grid point 14 (9/117) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -1.656 -6.966 -2.718) 7.659 1.137 ( 10.554 -15.783 2.352) 19.131 1.416 ( 18.323 -16.330 13.807) 28.161 1.680 ( 7.357 -7.306 5.846) 11.903 1.910 ( -6.076 -8.624 -11.481) 15.592 2.116 ( 4.633 -16.579 4.655) 17.832 2.291 ( -3.443 -8.128 -2.900) 9.291 2.385 ( 9.779 -15.606 4.201) 18.890 2.622 ( 3.686 -4.379 -10.515) 11.972 2.846 ( -4.466 3.366 -10.322) 11.740 2.970 ( -3.790 -3.254 4.796) 6.925 3.129 ( -10.495 1.367 -9.960) 14.534 3.154 ( 0.357 -12.757 3.367) 13.198 3.304 ( 2.806 4.734 10.349) 11.721 3.377 ( 3.035 -3.904 -1.170) 5.082 3.619 ( -5.427 2.159 4.381) 7.301 3.693 ( -4.252 4.502 3.051) 6.904 3.762 ( 2.093 2.971 -1.972) 4.135 3.947 ( 1.239 3.939 -2.600) 4.879 4.066 ( -6.284 0.649 -0.242) 6.322 4.290 ( -1.446 0.983 6.624) 6.851 4.348 ( -0.377 4.521 -2.181) 5.034 4.445 ( -4.790 0.775 3.335) 5.888 4.468 ( 3.694 0.980 -2.666) 4.660 4.620 ( -0.855 -2.572 4.486) 5.241 4.744 ( -0.140 0.491 0.530) 0.736 4.803 ( 0.279 -3.456 -1.792) 3.903 4.876 ( -2.007 -1.655 -6.329) 6.843 4.963 ( -2.083 3.104 -3.391) 5.046 5.031 ( -4.933 1.884 -5.156) 7.380 5.106 ( 2.251 2.101 -1.548) 3.446 5.175 ( 8.802 -5.255 -2.542) 10.562 5.390 ( 3.780 1.090 5.777) 6.990 5.457 ( 4.034 2.438 -7.201) 8.606 5.615 ( 1.832 2.349 4.249) 5.189 5.652 ( -0.521 4.648 4.912) 6.782 5.733 ( 0.612 1.762 3.744) 4.183 5.911 ( -4.097 5.345 -9.678) 11.791 5.941 ( 0.487 2.502 -2.962) 3.907 5.979 ( 1.475 1.022 3.502) 3.935 6.113 ( 5.339 -1.570 5.412) 7.763 6.225 ( 2.533 3.315 4.887) 6.426 6.462 ( 0.736 7.709 -1.437) 7.876 6.535 ( 4.895 6.299 1.227) 8.071 6.611 ( -1.325 6.328 -3.840) 7.520 6.758 ( -4.081 2.025 -1.651) 4.846 6.853 ( 1.404 2.716 3.418) 4.586 6.936 ( 2.928 1.050 4.928) 5.828 7.039 ( -4.258 1.688 -3.365) 5.684 7.372 ( -0.838 -2.037 -2.868) 3.617 7.658 ( 2.550 2.551 0.459) 3.636 7.887 ( 0.132 7.024 -0.578) 7.049 7.962 ( -3.253 -4.794 1.316) 5.941 8.196 ( -10.019 -1.620 -5.051) 11.337 8.356 ( 0.341 0.885 -0.000) 0.948 8.528 ( -4.792 -8.539 -3.594) 10.430 9.498 ( -3.237 -4.592 -1.220) 5.749 9.616 ( 0.996 -2.448 2.089) 3.369 9.822 ( 3.583 -0.619 1.448) 3.914 9.973 ( -0.609 2.000 -0.248) 2.105 10.197 ( 1.560 2.695 2.113) 3.763 10.341 ( -2.626 0.463 -1.823) 3.230 11.035 ( 4.051 -3.621 2.340) 5.916 11.194 ( -5.659 -2.139 -2.878) 6.699 12.480 ( -2.123 -2.397 -2.385) 3.993 12.508 ( 3.936 -1.315 2.549) 4.870 13.426 ( -0.080 2.142 0.673) 2.247 13.476 ( -0.817 0.736 -0.969) 1.466 13.766 ( 1.250 3.253 2.838) 4.494 13.895 ( 1.048 2.643 -1.332) 3.140 14.468 ( 0.085 -0.086 1.863) 1.866 14.482 ( 1.667 0.418 1.859) 2.532 14.593 ( -12.157 4.294 -5.166) 13.890 14.643 ( 5.357 8.069 6.725) 11.791 15.251 ( -0.409 -1.256 0.557) 1.434 15.362 ( -0.843 1.034 -1.242) 1.823 15.688 ( -3.723 0.495 -0.550) 3.795 15.741 ( -0.737 0.125 2.672) 2.775 16.188 ( 3.731 0.919 1.223) 4.032 16.279 ( 5.617 3.328 -1.305) 6.659 16.554 ( 11.307 2.902 5.641) 12.965 16.660 ( -7.610 3.413 -6.347) 10.481 17.338 ( 5.414 1.407 2.428) 6.098 17.404 ( 4.395 1.298 1.839) 4.938 19.236 ( 16.557 5.635 16.428) 23.995 19.397 ( -13.848 2.540 -8.052) 16.219 21.217 ( -3.301 -3.355 -3.504) 5.868 21.363 ( 1.769 -2.159 2.503) 3.749 25.489 ( -1.886 8.232 -4.424) 9.534 25.655 ( 16.646 18.048 15.040) 28.793 27.134 ( -0.166 1.971 -2.636) 3.296 27.374 ( 3.128 5.008 0.848) 5.965 28.412 ( 0.123 -0.780 -0.409) 0.889 28.468 ( 0.760 0.759 0.052) 1.075 29.110 ( 0.370 -0.293 -0.364) 0.596 29.127 ( -0.117 -0.700 0.405) 0.817 31.667 ( 0.246 -2.516 0.360) 2.553 31.830 ( -3.088 -5.457 2.103) 6.613 32.881 ( 0.481 -0.414 -2.613) 2.689 33.002 ( -2.057 -4.427 -2.961) 5.709 33.154 ( 4.211 -2.336 0.889) 4.897 33.496 ( -4.575 0.106 1.702) 4.882 33.750 ( 3.099 -9.778 1.661) 10.391 34.082 ( -6.169 -4.155 0.161) 7.440 34.108 ( 4.593 -10.979 0.523) 11.912 34.751 ( -14.879 -5.757 7.140) 17.479 35.106 ( -1.254 1.011 -19.008) 19.076 35.684 ( 2.078 7.833 2.026) 8.353 ======================= Grid point 15 (10/117) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -0.330 -11.769 -2.745) 12.090 1.460 ( 8.853 -10.533 0.401) 13.765 1.776 ( 4.142 -13.675 7.031) 15.924 1.895 ( 2.807 -9.462 0.230) 9.872 2.011 ( -2.757 -10.273 0.119) 10.637 2.342 ( 4.074 -10.092 4.887) 11.930 2.480 ( -1.933 -10.054 -1.118) 10.299 2.663 ( 6.129 -0.638 -4.558) 7.664 2.707 ( 7.325 1.907 1.530) 7.722 2.813 ( -7.191 -4.696 -4.536) 9.713 3.029 ( -10.830 -0.669 -8.550) 13.815 3.108 ( 0.367 -11.514 -1.883) 11.672 3.283 ( 1.818 -1.637 12.479) 12.717 3.366 ( 3.918 -6.594 0.285) 7.675 3.495 ( 3.725 -4.664 -2.306) 6.399 3.527 ( -2.154 4.102 -1.343) 4.824 3.572 ( -1.049 6.069 0.862) 6.219 3.730 ( 2.026 2.422 -0.904) 3.285 3.906 ( -1.681 -1.134 -2.802) 3.458 4.092 ( -2.728 -3.212 1.798) 4.582 4.208 ( -1.963 4.856 1.567) 5.467 4.231 ( -2.488 6.530 0.276) 6.994 4.340 ( -4.868 4.429 1.230) 6.695 4.554 ( 8.230 -3.351 5.660) 10.536 4.671 ( -2.429 -3.287 4.222) 5.876 4.701 ( -0.498 1.072 -2.102) 2.412 4.835 ( -0.117 4.927 -2.579) 5.562 4.847 ( -5.808 3.401 -5.866) 8.928 4.885 ( 0.948 -2.793 -1.969) 3.546 4.992 ( -6.384 -1.619 -0.261) 6.591 5.066 ( 3.562 4.569 -0.667) 5.832 5.287 ( -0.539 0.834 -3.323) 3.468 5.390 ( 3.798 -0.682 -0.319) 3.872 5.421 ( 4.742 4.400 -1.916) 6.747 5.514 ( 1.700 6.040 6.542) 9.065 5.576 ( 2.532 4.143 2.097) 5.289 5.669 ( -2.374 2.684 0.560) 3.627 5.790 ( -5.796 3.333 -8.274) 10.638 5.897 ( 0.253 1.856 -5.244) 5.568 6.016 ( 3.664 -1.846 6.301) 7.519 6.138 ( 1.454 -0.528 -0.884) 1.782 6.205 ( 2.929 3.582 8.714) 9.866 6.315 ( 4.362 9.300 3.124) 10.737 6.390 ( -5.941 4.917 -6.674) 10.199 6.609 ( 8.919 -0.770 3.992) 9.802 6.701 ( -4.014 0.373 -2.862) 4.944 6.801 ( -0.113 2.816 1.208) 3.066 6.951 ( 0.943 -0.654 4.103) 4.260 7.017 ( -1.196 -0.916 -1.265) 1.967 7.350 ( -4.692 1.508 -4.035) 6.369 7.636 ( 2.007 1.441 -0.503) 2.522 7.782 ( 2.579 4.603 -0.862) 5.346 8.009 ( 1.340 -0.111 2.132) 2.521 8.170 ( -8.443 -2.307 1.923) 8.961 8.337 ( -0.608 0.933 -6.339) 6.436 8.651 ( -1.280 -5.801 0.193) 5.944 9.552 ( -3.834 -3.330 -1.704) 5.356 9.670 ( 1.545 -2.396 2.911) 4.075 9.853 ( 3.370 -0.180 1.480) 3.685 9.912 ( -1.388 3.364 -1.049) 3.787 10.160 ( 1.723 2.190 1.995) 3.427 10.312 ( -1.888 0.831 -1.574) 2.594 11.134 ( 4.445 -3.677 2.674) 6.359 11.200 ( -5.690 -2.042 -3.070) 6.780 12.509 ( -2.842 -2.200 -2.784) 4.546 12.556 ( 4.124 -0.815 2.891) 5.101 13.385 ( 0.282 2.040 0.423) 2.102 13.453 ( -0.717 1.054 -0.679) 1.445 13.728 ( -1.072 1.280 -0.437) 1.726 13.843 ( 1.034 3.045 0.069) 3.216 14.432 ( -3.097 3.534 -1.325) 4.883 14.474 ( -2.954 -0.254 -1.542) 3.342 14.503 ( -2.703 0.517 -0.300) 2.768 14.560 ( 7.187 3.997 6.432) 10.440 15.269 ( -1.180 -1.139 -0.571) 1.736 15.343 ( -0.961 0.184 -1.387) 1.698 15.659 ( -3.520 0.071 -0.884) 3.630 15.732 ( -0.689 0.286 2.099) 2.228 16.194 ( 3.599 0.980 1.478) 4.012 16.254 ( 2.897 2.297 0.152) 3.701 16.542 ( -7.165 2.267 -6.923) 10.218 16.576 ( 10.145 3.297 5.979) 12.228 17.348 ( 2.259 0.431 -0.149) 2.304 17.408 ( 3.113 0.885 0.902) 3.360 19.246 ( 3.930 3.403 4.482) 6.864 19.270 ( -2.589 2.336 -0.679) 3.553 21.256 ( -3.914 -3.092 -3.481) 6.083 21.404 ( 2.476 -0.712 2.348) 3.485 25.331 ( -1.549 6.658 -2.968) 7.452 25.457 ( 8.311 11.418 6.078) 15.375 27.096 ( -0.622 1.456 -2.079) 2.614 27.288 ( 2.197 5.423 0.821) 5.909 28.425 ( 0.100 -0.468 -0.422) 0.638 28.457 ( 0.484 0.667 0.223) 0.854 29.116 ( 0.016 -0.171 -0.166) 0.239 29.137 ( -0.125 -0.408 0.244) 0.492 31.716 ( 0.320 -2.244 0.365) 2.296 31.917 ( -1.324 -4.861 0.911) 5.119 32.892 ( 0.147 -0.575 -1.784) 1.880 33.058 ( -4.515 -3.414 -1.052) 5.758 33.218 ( 4.670 -1.381 0.644) 4.913 33.460 ( -1.884 1.242 1.229) 2.570 33.974 ( 5.072 -10.139 2.017) 11.515 34.136 ( -4.636 -4.978 -2.338) 7.193 34.366 ( 4.286 -12.232 1.407) 13.037 34.747 ( -10.817 -2.446 5.589) 12.419 35.063 ( -1.577 2.030 -10.117) 10.438 35.541 ( 0.713 7.466 1.069) 7.575 ======================= Grid point 16 (11/117) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 2.074 -9.679 -0.844) 9.935 1.661 ( 2.444 -6.751 -0.514) 7.198 1.985 ( 0.937 -8.720 -4.188) 9.719 2.068 ( 1.407 -4.028 -1.283) 4.455 2.221 ( -0.040 -9.101 9.505) 13.160 2.516 ( -0.389 1.485 0.788) 1.726 2.573 ( 4.176 -9.128 1.055) 10.093 2.641 ( 1.501 2.332 3.655) 4.588 2.774 ( 1.574 -5.476 -2.004) 6.040 2.916 ( -2.742 -4.488 -5.128) 7.346 3.020 ( -4.525 -8.817 -3.479) 10.503 3.167 ( -3.043 4.414 1.086) 5.470 3.302 ( 0.860 5.347 2.527) 5.977 3.414 ( 3.643 4.065 0.916) 5.535 3.460 ( -4.583 0.845 -4.910) 6.769 3.517 ( 3.266 -0.543 3.673) 4.945 3.616 ( 5.236 -5.184 -1.769) 7.577 3.732 ( -0.118 -1.540 -1.725) 2.315 3.922 ( -0.658 0.262 -0.949) 1.184 4.015 ( -0.378 7.579 -0.056) 7.589 4.094 ( 2.634 4.647 -2.589) 5.936 4.171 ( -6.443 -1.724 7.595) 10.108 4.281 ( -3.094 -0.724 2.274) 3.907 4.643 ( 2.836 -0.658 -0.791) 3.017 4.669 ( 0.307 1.179 -0.147) 1.227 4.703 ( -6.114 3.083 -1.546) 7.020 4.775 ( 0.580 -1.607 0.739) 1.862 4.830 ( 2.355 -4.127 0.274) 4.760 4.915 ( 2.297 -0.706 -5.885) 6.357 4.989 ( -5.124 -2.076 1.629) 5.764 4.993 ( -1.276 3.103 0.948) 3.487 5.183 ( -0.295 4.972 -4.487) 6.704 5.336 ( 4.002 6.688 1.921) 8.027 5.425 ( -3.102 0.082 6.719) 7.401 5.483 ( 8.152 2.103 -3.990) 9.317 5.535 ( 3.598 2.132 4.248) 5.962 5.618 ( -4.680 0.331 0.708) 4.745 5.715 ( -5.110 0.042 -8.291) 9.739 5.872 ( -1.836 0.056 -3.026) 3.540 6.061 ( 2.349 -0.533 3.829) 4.523 6.127 ( 3.684 6.124 2.325) 7.515 6.159 ( 0.806 -0.009 -2.014) 2.169 6.191 ( 0.228 3.846 4.288) 5.764 6.320 ( 2.014 1.234 0.800) 2.494 6.623 ( -3.801 1.880 -1.946) 4.666 6.725 ( 5.519 -1.009 1.794) 5.891 6.791 ( -2.146 -3.352 -0.758) 4.051 6.962 ( 0.800 0.790 2.699) 2.923 7.035 ( -0.792 -1.495 -1.301) 2.134 7.305 ( -3.117 -0.447 -2.469) 4.002 7.600 ( -3.270 2.044 -3.891) 5.478 7.746 ( 6.549 2.540 2.931) 7.611 7.978 ( -1.854 2.318 -0.688) 3.047 8.179 ( 0.045 -0.595 6.772) 6.798 8.321 ( -2.002 -0.779 -7.012) 7.334 8.727 ( -0.088 -2.598 0.783) 2.715 9.581 ( -2.513 -2.134 -1.074) 3.468 9.722 ( 1.939 -1.343 2.801) 3.662 9.843 ( -2.121 2.012 -2.208) 3.663 9.868 ( 2.314 0.562 1.202) 2.668 10.137 ( 1.194 1.345 1.036) 2.075 10.291 ( -0.802 0.281 -0.713) 1.109 11.194 ( -5.163 -0.942 -2.948) 6.019 11.225 ( 4.384 -2.649 2.723) 5.801 12.523 ( -3.061 -1.301 -2.708) 4.289 12.590 ( 3.599 -0.109 2.677) 4.487 13.355 ( 0.249 1.254 0.222) 1.298 13.432 ( -0.261 0.617 -0.292) 0.730 13.681 ( -7.469 0.866 -5.418) 9.268 13.816 ( 5.148 1.648 4.068) 6.765 14.375 ( -2.013 0.565 -1.177) 2.400 14.419 ( -2.735 2.569 -2.132) 4.315 14.505 ( 1.085 -0.463 2.046) 2.361 14.570 ( 6.174 0.638 4.615) 7.735 15.279 ( -1.151 -0.753 -1.078) 1.748 15.343 ( -0.901 -0.727 -0.881) 1.455 15.644 ( -2.434 -0.597 -1.053) 2.719 15.726 ( -0.342 0.024 1.075) 1.128 16.190 ( 1.594 1.286 0.529) 2.115 16.229 ( 1.291 1.476 0.699) 2.082 16.452 ( -8.073 1.327 -7.097) 10.831 16.594 ( 10.836 2.328 7.366) 13.308 17.342 ( -1.318 0.577 -1.910) 2.391 17.410 ( 2.535 0.798 1.092) 2.873 19.139 ( -11.254 1.691 -7.517) 13.639 19.296 ( 12.156 1.733 9.164) 15.322 21.284 ( -3.722 -2.426 -2.981) 5.350 21.424 ( 2.491 0.269 2.097) 3.267 25.222 ( -1.581 3.485 -1.873) 4.260 25.327 ( 4.005 6.245 2.749) 7.912 27.074 ( -0.767 0.195 -1.294) 1.517 27.206 ( 1.264 3.987 0.699) 4.241 28.430 ( 0.037 -0.127 -0.314) 0.341 28.450 ( 0.252 0.393 0.238) 0.525 29.117 ( -0.091 -0.067 -0.038) 0.119 29.142 ( -0.077 -0.159 0.087) 0.197 31.752 ( 0.179 -1.242 0.192) 1.270 31.990 ( -0.340 -2.975 0.301) 3.010 32.903 ( 0.334 -0.390 -0.843) 0.987 33.082 ( -4.554 -2.396 -0.050) 5.146 33.261 ( 4.229 -0.139 0.205) 4.237 33.431 ( -0.726 1.052 0.448) 1.354 34.159 ( 0.518 -4.787 -0.674) 4.862 34.203 ( 1.366 -4.492 0.997) 4.800 34.602 ( 2.434 -8.478 -0.173) 8.822 34.728 ( -5.687 -2.056 2.785) 6.658 35.006 ( -1.403 2.382 -3.874) 4.759 35.427 ( -0.276 4.332 0.223) 4.347 ======================= Grid point 17 (12/117) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 3.150 -0.258 -0.175) 3.165 1.727 ( -0.241 1.217 -1.047) 1.623 2.034 ( -3.494 3.746 3.662) 6.297 2.134 ( 5.504 -3.197 -3.052) 7.059 2.281 ( -4.167 2.121 -3.887) 6.080 2.501 ( -0.172 4.075 1.932) 4.513 2.549 ( 2.307 2.009 0.610) 3.120 2.804 ( -0.512 -5.731 4.252) 7.154 2.870 ( -0.717 0.541 -0.520) 1.038 2.937 ( -1.516 4.809 -3.085) 5.911 2.970 ( -2.295 -4.130 1.145) 4.861 3.187 ( -0.875 -0.717 -0.066) 1.134 3.255 ( 3.772 1.160 -2.640) 4.748 3.329 ( -0.506 0.981 1.272) 1.684 3.457 ( -3.601 -4.183 -3.594) 6.587 3.549 ( 2.323 -1.198 5.099) 5.731 3.637 ( -0.258 4.911 -1.068) 5.032 3.763 ( 0.123 -0.428 -0.585) 0.735 3.898 ( 0.774 0.973 -0.996) 1.593 3.946 ( 1.268 -1.116 2.018) 2.632 4.048 ( 6.446 1.090 5.328) 8.434 4.234 ( 0.203 -3.128 -5.288) 6.147 4.319 ( 0.303 -4.348 4.322) 6.138 4.552 ( -8.091 4.252 -5.052) 10.444 4.641 ( -2.120 -1.440 -0.808) 2.687 4.710 ( 3.034 -2.602 1.327) 4.212 4.813 ( -0.338 2.190 -2.936) 3.678 4.836 ( -2.118 1.747 1.007) 2.924 4.902 ( -5.996 2.091 -1.779) 6.595 4.974 ( 0.385 -3.390 -1.337) 3.664 5.095 ( 3.592 -6.126 -0.397) 7.112 5.150 ( 2.960 -1.394 4.284) 5.391 5.254 ( 6.220 4.338 -0.932) 7.640 5.375 ( -3.892 2.240 8.999) 10.057 5.474 ( 0.587 1.666 -4.299) 4.648 5.484 ( 1.405 3.898 -2.423) 4.799 5.634 ( -0.783 -2.166 5.305) 5.783 5.723 ( -3.224 -3.903 -7.233) 8.829 5.870 ( -2.384 -1.249 -0.565) 2.750 6.051 ( 0.283 2.794 -0.928) 2.958 6.079 ( 3.705 0.677 1.181) 3.947 6.130 ( 1.813 2.876 1.398) 3.676 6.164 ( -0.882 -0.112 0.629) 1.089 6.361 ( 5.430 -2.357 4.256) 7.291 6.544 ( -6.946 1.847 -3.385) 7.945 6.748 ( 2.707 1.266 1.012) 3.155 6.872 ( -1.674 -4.370 -1.495) 4.912 6.924 ( 0.594 2.649 1.086) 2.924 7.050 ( -0.913 0.015 -0.871) 1.262 7.330 ( 1.220 -2.259 0.373) 2.594 7.537 ( -5.648 1.160 -4.218) 7.144 7.742 ( 4.630 1.445 4.207) 6.420 7.941 ( -2.150 -0.287 -1.237) 2.497 8.191 ( 2.375 -0.180 1.732) 2.946 8.339 ( -0.419 -1.644 -1.084) 2.013 8.756 ( 0.674 -0.454 0.415) 0.912 9.608 ( -0.473 -1.754 -0.031) 1.817 9.724 ( -0.060 1.799 -0.125) 1.805 9.827 ( -0.670 -0.776 -0.774) 1.284 9.864 ( 1.025 0.652 0.748) 1.427 10.121 ( 0.110 0.710 -0.275) 0.769 10.295 ( 0.526 -0.765 0.498) 1.053 11.167 ( -4.229 0.681 -2.477) 4.948 11.287 ( 3.854 -0.996 2.450) 4.674 12.519 ( -2.917 -0.356 -2.385) 3.784 12.605 ( 2.777 0.758 2.217) 3.633 13.342 ( -0.034 0.205 -0.013) 0.208 13.429 ( 0.365 -0.342 0.210) 0.543 13.614 ( -8.465 0.320 -5.903) 10.325 13.836 ( 4.639 0.003 4.029) 6.145 14.368 ( -1.932 0.699 -1.546) 2.571 14.377 ( -1.276 -1.471 -0.942) 2.163 14.521 ( 1.841 -0.054 1.869) 2.624 14.600 ( 6.290 0.436 3.903) 7.416 15.285 ( -0.669 -0.515 -0.726) 1.114 15.352 ( -0.482 -0.481 -0.391) 0.785 15.651 ( -1.011 -1.241 -1.143) 1.967 15.730 ( 0.137 -0.534 0.002) 0.552 16.170 ( -0.022 0.992 -0.124) 1.000 16.215 ( 0.451 0.794 0.821) 1.228 16.386 ( -7.500 0.442 -5.708) 9.436 16.628 ( 9.249 0.814 7.102) 11.690 17.310 ( -3.623 1.073 -2.650) 4.615 17.408 ( 1.276 0.726 0.947) 1.747 19.050 ( -9.606 0.484 -6.804) 11.782 19.352 ( 10.174 -0.098 7.201) 12.465 21.301 ( -2.871 -1.555 -2.249) 3.965 21.428 ( 2.186 0.973 1.726) 2.950 25.178 ( -1.842 0.012 -1.361) 2.290 25.273 ( 1.920 1.382 1.482) 2.791 27.077 ( -0.429 -0.685 -0.345) 0.879 27.161 ( 0.324 0.986 0.235) 1.064 28.432 ( 0.007 -0.003 -0.036) 0.037 28.445 ( 0.036 0.166 0.039) 0.174 29.118 ( -0.041 -0.064 0.017) 0.078 29.143 ( -0.014 -0.041 -0.037) 0.056 31.763 ( -0.064 0.166 0.010) 0.178 32.020 ( 0.105 -0.204 -0.017) 0.230 32.909 ( 0.510 0.012 0.074) 0.515 33.103 ( -2.821 -2.314 -0.171) 3.653 33.276 ( 4.134 1.392 -0.009) 4.362 33.409 ( -1.630 0.334 0.139) 1.670 34.160 ( -3.711 1.860 -2.087) 4.646 34.300 ( 5.608 -1.115 3.711) 6.816 34.615 ( -6.521 2.677 -0.585) 7.074 34.830 ( 6.644 -3.771 -4.912) 9.082 34.978 ( -1.409 -1.643 3.976) 4.527 35.380 ( -0.807 0.152 -0.121) 0.830 ======================= Grid point 18 (13/117) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 0.755 9.178 -0.400) 9.217 1.633 ( 7.529 9.461 0.777) 12.116 1.904 ( -5.904 8.316 0.752) 10.226 2.059 ( -5.918 14.057 -2.449) 15.448 2.196 ( 2.604 4.230 -2.015) 5.360 2.356 ( -8.302 0.491 0.718) 8.347 2.581 ( 2.746 7.474 -4.114) 8.963 2.641 ( 3.693 3.912 2.019) 5.746 2.743 ( -2.879 10.162 -0.285) 10.566 2.993 ( -0.127 1.426 2.578) 2.949 3.119 ( 2.082 -4.552 3.671) 6.207 3.165 ( -2.517 -8.576 -0.114) 8.939 3.302 ( -1.900 3.193 -2.657) 4.568 3.319 ( 2.797 -2.046 -3.063) 4.625 3.510 ( -0.987 1.653 0.480) 1.984 3.541 ( 0.155 -0.066 2.084) 2.091 3.579 ( 6.760 2.420 3.488) 7.983 3.727 ( -2.116 1.284 -0.997) 2.668 3.964 ( -2.636 -2.664 -2.276) 4.385 3.996 ( -0.910 -6.546 -0.052) 6.609 4.097 ( 5.446 1.798 6.232) 8.469 4.305 ( 3.619 -6.191 -4.266) 8.344 4.329 ( 0.013 3.358 -1.549) 3.698 4.461 ( -5.226 1.036 -1.370) 5.501 4.704 ( -0.554 -1.410 0.748) 1.690 4.739 ( -0.593 -0.098 1.755) 1.855 4.771 ( 1.252 -1.281 2.198) 2.835 4.856 ( -1.002 -5.580 -2.620) 6.245 4.869 ( 2.088 -2.115 0.635) 3.039 4.986 ( -2.545 1.122 -2.557) 3.778 5.191 ( -1.341 -2.487 -7.283) 7.812 5.228 ( 1.227 -1.095 6.375) 6.584 5.264 ( 5.989 -1.261 1.147) 6.227 5.332 ( -0.258 0.599 9.180) 9.204 5.427 ( -3.377 -0.575 -2.511) 4.247 5.459 ( 0.011 -0.206 -5.826) 5.829 5.658 ( -0.463 -0.981 3.620) 3.779 5.813 ( 0.442 -5.808 -3.488) 6.790 5.887 ( -1.165 -1.550 1.778) 2.630 5.989 ( -1.182 3.344 -2.824) 4.534 6.070 ( -2.674 0.745 -1.601) 3.204 6.142 ( 2.162 -2.213 3.123) 4.396 6.162 ( 0.662 -0.531 -0.724) 1.115 6.413 ( -4.862 0.337 -1.489) 5.096 6.524 ( 6.380 -2.591 4.643) 8.305 6.726 ( -1.165 0.932 -1.822) 2.354 6.858 ( 1.098 1.746 0.873) 2.240 6.945 ( -0.042 -1.387 -1.407) 1.976 7.019 ( -1.569 1.749 -0.588) 2.422 7.388 ( 2.308 -2.377 1.523) 3.646 7.490 ( -5.714 -0.552 -3.098) 6.524 7.781 ( 4.287 -2.351 4.939) 6.950 7.940 ( -3.142 -0.574 -2.869) 4.293 8.229 ( 2.191 -2.372 -1.408) 3.523 8.365 ( 0.852 -0.824 2.469) 2.739 8.759 ( 1.969 0.889 0.761) 2.290 9.639 ( 0.941 -0.443 0.473) 1.143 9.679 ( -0.525 1.608 -1.238) 2.096 9.806 ( -1.825 2.093 -1.163) 3.011 9.889 ( 1.025 -2.152 0.936) 2.561 10.118 ( -0.129 -0.614 -0.756) 0.982 10.322 ( 1.037 -1.349 0.900) 1.924 11.114 ( -2.998 2.362 -1.715) 4.184 11.312 ( 2.797 0.656 1.795) 3.388 12.500 ( -2.346 0.511 -1.791) 2.995 12.597 ( 1.855 1.635 1.589) 2.939 13.349 ( -0.182 -1.063 -0.169) 1.092 13.450 ( 1.258 -1.236 1.047) 2.051 13.565 ( -7.623 -0.771 -5.539) 9.454 13.864 ( 2.171 -0.454 2.729) 3.516 14.371 ( -1.220 -2.146 -1.397) 2.837 14.405 ( -1.685 -1.927 -1.114) 2.792 14.535 ( 2.323 -0.220 1.736) 2.908 14.639 ( 6.564 -0.403 3.580) 7.487 15.290 ( -0.095 -0.191 -0.291) 0.360 15.353 ( -0.144 0.080 -0.037) 0.169 15.672 ( -0.297 -1.244 -1.264) 1.799 15.748 ( 0.733 -0.989 -0.681) 1.407 16.163 ( 1.531 0.149 1.195) 1.947 16.201 ( -0.813 0.538 0.369) 1.043 16.334 ( -8.160 -0.291 -4.942) 9.544 16.683 ( 7.134 -0.939 5.970) 9.350 17.256 ( -4.797 1.546 -3.039) 5.885 17.399 ( 0.149 0.720 0.740) 1.044 18.996 ( -7.334 -0.458 -5.504) 9.181 19.432 ( 7.608 -2.095 5.104) 9.398 21.304 ( -1.764 -0.317 -1.435) 2.296 21.416 ( 1.589 1.528 1.244) 2.531 25.193 ( -2.499 -2.897 -1.523) 4.118 25.299 ( 1.012 -3.017 1.185) 3.396 27.088 ( 0.145 -0.646 0.561) 0.867 27.179 ( -0.597 -2.714 -0.381) 2.805 28.430 ( -0.007 0.176 0.183) 0.254 28.444 ( -0.111 -0.117 -0.137) 0.211 29.118 ( 0.010 0.033 0.049) 0.060 29.143 ( 0.025 0.094 -0.105) 0.143 31.746 ( -0.202 1.467 -0.098) 1.484 32.000 ( 0.375 2.278 -0.231) 2.321 32.907 ( 0.296 0.515 0.813) 1.007 33.129 ( -1.224 -1.420 -0.804) 2.040 33.246 ( 3.050 4.423 0.375) 5.386 33.417 ( -1.357 -2.701 -0.197) 3.029 34.054 ( -2.872 6.760 -1.290) 7.457 34.308 ( 4.303 3.371 4.321) 6.968 34.477 ( -4.596 7.883 -2.796) 9.544 34.881 ( 3.674 -0.109 -5.756) 6.830 35.064 ( 2.418 -4.974 6.168) 8.284 35.409 ( -1.279 -3.826 -0.181) 4.039 ======================= Grid point 19 (14/117) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -1.334 12.577 -0.345) 12.652 1.453 ( 10.147 18.145 1.731) 20.861 1.628 ( -2.130 15.616 2.612) 15.976 1.704 ( -10.558 14.752 -8.682) 20.111 2.080 ( -1.037 4.598 1.978) 5.112 2.363 ( 4.755 4.976 -4.241) 8.085 2.448 ( -4.759 6.714 5.191) 9.730 2.478 ( -2.395 6.464 2.120) 7.212 2.652 ( 0.733 5.762 -1.928) 6.120 2.891 ( -1.193 4.626 0.867) 4.855 3.117 ( 2.150 8.768 -0.416) 9.037 3.190 ( -1.536 5.809 -4.143) 7.299 3.267 ( 1.696 3.668 4.398) 5.973 3.332 ( -0.403 -2.942 -2.538) 3.906 3.483 ( 2.969 -0.971 0.474) 3.160 3.570 ( 2.014 -0.653 5.111) 5.532 3.622 ( -0.825 -6.171 0.025) 6.226 3.732 ( 2.705 -2.198 -1.382) 3.750 3.920 ( -1.830 1.398 -1.008) 2.514 4.041 ( -3.951 1.324 -0.887) 4.260 4.195 ( -0.828 -12.222 -0.464) 12.259 4.299 ( 2.148 0.748 -1.288) 2.614 4.426 ( -0.102 -0.775 2.895) 2.999 4.495 ( 3.406 -2.968 -0.109) 4.519 4.642 ( -0.749 -1.721 -2.274) 2.949 4.762 ( 1.198 3.331 1.906) 4.021 4.873 ( 2.669 -4.042 2.868) 5.629 4.890 ( 0.781 -0.622 -1.218) 1.575 4.955 ( -1.820 0.020 -0.820) 1.996 4.986 ( -1.901 -4.833 -1.068) 5.302 5.161 ( -0.574 4.765 1.962) 5.185 5.235 ( -3.720 -3.069 -2.501) 5.433 5.277 ( 6.387 1.690 -0.786) 6.653 5.356 ( 1.461 -1.775 3.883) 4.513 5.464 ( -6.824 -2.564 -1.083) 7.370 5.521 ( 0.924 -6.342 -0.708) 6.448 5.677 ( -1.548 -1.159 0.515) 2.001 5.909 ( 1.672 -0.118 -2.698) 3.177 5.913 ( 1.443 -3.660 3.553) 5.301 5.945 ( 0.324 -1.679 -2.883) 3.352 6.054 ( -4.346 -1.464 -1.243) 4.751 6.136 ( -0.326 1.040 0.566) 1.228 6.273 ( 0.497 -8.192 0.895) 8.256 6.352 ( -4.457 1.052 -1.820) 4.928 6.640 ( 7.577 -2.891 6.206) 10.212 6.716 ( -3.554 -1.898 -3.870) 5.587 6.869 ( 2.207 -1.439 1.391) 2.979 6.926 ( -0.633 2.749 -2.299) 3.639 7.016 ( -0.710 -2.876 0.177) 2.968 7.437 ( 1.763 -0.773 2.273) 2.979 7.501 ( -3.575 -3.673 -2.807) 5.844 7.857 ( 4.984 -1.991 6.268) 8.252 7.923 ( -4.688 -1.246 -5.539) 7.363 8.300 ( 1.135 -3.521 -1.630) 4.042 8.372 ( 0.856 1.374 2.293) 2.807 8.757 ( 3.816 0.752 2.255) 4.495 9.596 ( -1.225 3.144 -1.402) 3.654 9.685 ( 4.485 2.260 1.760) 5.322 9.746 ( -4.636 0.579 -2.039) 5.098 9.939 ( 0.421 -2.372 0.342) 2.433 10.145 ( 0.160 -2.124 -0.532) 2.196 10.357 ( 0.826 -1.588 0.570) 1.878 11.042 ( -1.584 3.456 -0.842) 3.894 11.301 ( 1.394 1.803 0.901) 2.451 12.470 ( -1.364 1.299 -0.962) 2.115 12.568 ( 0.940 2.290 0.844) 2.616 13.380 ( -0.044 -2.274 -0.195) 2.283 13.487 ( 2.398 -0.932 2.396) 3.515 13.550 ( -6.563 -2.734 -5.435) 8.949 13.879 ( 0.307 -0.302 1.371) 1.437 14.412 ( -1.381 -1.077 -1.590) 2.366 14.424 ( -0.667 -2.148 -0.458) 2.296 14.568 ( 1.469 -2.001 0.960) 2.661 14.711 ( 5.008 -3.388 2.514) 6.549 15.286 ( 0.238 0.838 -0.265) 0.911 15.354 ( -0.032 -0.464 0.203) 0.508 15.691 ( -0.341 -0.973 -1.045) 1.468 15.772 ( 1.086 -0.816 -0.669) 1.514 16.166 ( -0.485 0.864 1.460) 1.764 16.202 ( 3.909 -0.153 1.865) 4.334 16.295 ( -9.119 -1.824 -4.673) 10.408 16.753 ( 4.286 -2.219 3.740) 6.106 17.193 ( -4.323 1.867 -2.813) 5.486 17.383 ( -0.319 0.796 0.477) 0.981 18.969 ( -4.450 -0.654 -3.595) 5.758 19.526 ( 4.345 -3.500 2.726) 6.210 21.288 ( -0.631 1.254 -0.538) 1.503 21.391 ( 0.737 1.838 0.562) 2.058 25.248 ( -3.035 -4.488 -1.908) 5.744 25.398 ( 0.576 -6.660 1.061) 6.768 27.108 ( 0.135 -1.322 0.585) 1.452 27.245 ( -0.687 -4.354 -0.339) 4.421 28.424 ( -0.023 0.529 0.130) 0.546 28.449 ( -0.128 -0.404 -0.076) 0.431 29.115 ( -0.014 0.359 0.063) 0.364 29.139 ( 0.024 0.383 -0.097) 0.396 31.708 ( -0.142 2.243 -0.095) 2.250 31.945 ( 0.548 3.507 -0.363) 3.568 32.894 ( -0.013 0.967 0.886) 1.312 33.131 ( -0.365 0.885 -1.106) 1.463 33.153 ( 0.675 6.065 0.916) 6.171 33.491 ( 0.530 -4.776 -0.374) 4.820 33.878 ( -1.586 9.613 -0.587) 9.761 34.240 ( 2.333 6.892 8.080) 10.873 34.271 ( -2.190 9.497 -7.560) 12.335 34.909 ( 1.914 -1.254 -3.792) 4.429 35.161 ( 2.922 -2.912 5.038) 6.511 35.504 ( -1.245 -6.623 -0.286) 6.745 ======================= Grid point 20 (15/117) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -0.000 11.334 -0.000) 11.334 1.038 ( -0.000 25.644 -0.000) 25.644 1.253 ( -0.000 20.808 -0.000) 20.808 1.500 ( -0.000 5.727 -0.000) 5.727 1.948 ( -0.000 14.876 -0.000) 14.876 1.980 ( -0.000 39.968 -0.000) 39.968 2.211 ( -0.000 2.353 -0.000) 2.353 2.462 ( 0.000 -3.085 0.000) 3.085 2.632 ( 0.000 -4.411 0.000) 4.411 2.817 ( -0.000 2.769 -0.000) 2.769 3.055 ( -0.000 7.216 -0.000) 7.216 3.097 ( 0.000 -3.198 0.000) 3.198 3.144 ( -0.000 7.685 -0.000) 7.685 3.327 ( -0.000 0.493 -0.000) 0.493 3.552 ( 0.000 -1.709 0.000) 1.709 3.558 ( -0.000 1.495 -0.000) 1.495 3.738 ( 0.000 -5.468 0.000) 5.468 3.878 ( 0.000 -10.359 0.000) 10.359 3.939 ( 0.000 -2.667 0.000) 2.667 4.053 ( 0.000 -4.750 0.000) 4.750 4.277 ( -0.000 2.924 -0.000) 2.924 4.381 ( 0.000 -5.181 0.000) 5.181 4.467 ( -0.000 0.954 -0.000) 0.954 4.474 ( 0.000 -3.931 0.000) 3.931 4.679 ( -0.000 3.296 -0.000) 3.296 4.749 ( 0.000 -2.683 0.000) 2.683 4.812 ( -0.000 5.473 -0.000) 5.473 4.839 ( -0.000 6.252 -0.000) 6.252 4.980 ( -0.000 3.468 -0.000) 3.468 5.031 ( 0.000 -5.127 0.000) 5.127 5.137 ( 0.000 -1.770 0.000) 1.770 5.267 ( -0.000 3.218 -0.000) 3.218 5.278 ( 0.000 -1.820 0.000) 1.820 5.415 ( 0.000 -3.726 0.000) 3.726 5.468 ( 0.000 -0.619 0.000) 0.619 5.570 ( -0.000 1.403 -0.000) 1.403 5.686 ( 0.000 -1.429 0.000) 1.429 5.933 ( 0.000 -2.429 0.000) 2.429 6.001 ( 0.000 -0.028 0.000) 0.028 6.004 ( 0.000 -2.753 0.000) 2.753 6.106 ( -0.000 1.796 -0.000) 1.796 6.137 ( 0.000 -13.146 0.000) 13.146 6.345 ( 0.000 -2.108 0.000) 2.108 6.453 ( 0.000 -9.406 0.000) 9.406 6.715 ( 0.000 -2.672 0.000) 2.672 6.771 ( 0.000 -4.956 0.000) 4.956 6.864 ( -0.000 2.615 -0.000) 2.615 6.914 ( 0.000 -1.698 0.000) 1.698 7.085 ( 0.000 -3.513 0.000) 3.513 7.400 ( -0.000 5.452 -0.000) 5.452 7.587 ( 0.000 -6.458 0.000) 6.458 7.928 ( 0.000 -1.154 0.000) 1.154 7.961 ( 0.000 -6.801 0.000) 6.801 8.304 ( -0.000 6.004 -0.000) 6.004 8.359 ( 0.000 -2.001 0.000) 2.001 8.790 ( 0.000 -2.267 0.000) 2.267 9.532 ( -0.000 2.758 -0.000) 2.758 9.594 ( -0.000 6.895 -0.000) 6.895 9.754 ( 0.000 -1.100 0.000) 1.100 9.981 ( 0.000 -1.894 0.000) 1.894 10.191 ( 0.000 -2.359 0.000) 2.359 10.392 ( 0.000 -1.667 0.000) 1.667 10.969 ( -0.000 3.381 -0.000) 3.381 11.265 ( -0.000 2.197 -0.000) 2.197 12.437 ( -0.000 1.639 -0.000) 1.639 12.525 ( -0.000 2.404 -0.000) 2.404 13.430 ( 0.000 -2.715 0.000) 2.715 13.506 ( 0.000 -0.461 0.000) 0.461 13.592 ( 0.000 -3.732 0.000) 3.732 13.886 ( 0.000 -0.371 0.000) 0.371 14.404 ( -0.000 0.533 -0.000) 0.533 14.461 ( 0.000 -1.296 0.000) 1.296 14.622 ( 0.000 -2.870 0.000) 2.870 14.821 ( 0.000 -5.793 0.000) 5.793 15.259 ( -0.000 1.872 -0.000) 1.872 15.374 ( 0.000 -1.489 0.000) 1.489 15.708 ( 0.000 -0.997 0.000) 0.997 15.786 ( 0.000 -0.174 0.000) 0.174 16.140 ( -0.000 1.080 -0.000) 1.080 16.212 ( -0.000 0.837 -0.000) 0.837 16.319 ( 0.000 -3.925 0.000) 3.925 16.814 ( 0.000 -2.463 0.000) 2.463 17.139 ( -0.000 1.863 -0.000) 1.863 17.367 ( -0.000 0.797 -0.000) 0.797 18.962 ( 0.000 -0.298 0.000) 0.298 19.611 ( 0.000 -3.587 0.000) 3.587 21.248 ( -0.000 2.571 -0.000) 2.571 21.360 ( -0.000 1.513 -0.000) 1.513 25.321 ( 0.000 -4.402 0.000) 4.402 25.549 ( 0.000 -8.334 0.000) 8.334 27.138 ( 0.000 -1.679 0.000) 1.679 27.327 ( 0.000 -4.230 0.000) 4.230 28.411 ( -0.000 0.783 -0.000) 0.783 28.457 ( 0.000 -0.487 0.000) 0.487 29.104 ( -0.000 0.765 -0.000) 0.765 29.128 ( -0.000 0.708 -0.000) 0.708 31.662 ( -0.000 2.364 -0.000) 2.364 31.882 ( -0.000 3.152 -0.000) 3.152 32.872 ( -0.000 1.198 -0.000) 1.198 33.032 ( -0.000 6.289 -0.000) 6.289 33.096 ( -0.000 2.573 -0.000) 2.573 33.584 ( 0.000 -4.147 0.000) 4.147 33.688 ( -0.000 9.195 -0.000) 9.195 34.028 ( -0.000 11.412 -0.000) 11.412 34.175 ( -0.000 3.249 -0.000) 3.249 34.946 ( 0.000 -1.702 0.000) 1.702 35.211 ( 0.000 -1.218 0.000) 1.218 35.635 ( 0.000 -7.140 0.000) 7.140 ======================= Grid point 23 (16/117) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 23.670 0.000 -5.557) 24.314 0.701 ( 25.333 0.000 5.548) 25.933 1.129 ( 7.837 0.000 -1.758) 8.032 1.328 ( 46.323 0.000 32.564) 56.624 1.450 ( 15.183 0.000 -0.075) 15.183 1.660 ( 6.904 0.000 -15.550) 17.014 2.327 ( -19.471 -0.000 -7.032) 20.702 2.344 ( -3.460 -0.000 -4.013) 5.299 2.527 ( -8.660 -0.000 0.563) 8.678 2.678 ( -3.603 -0.000 3.422) 4.969 2.755 ( -0.801 -0.000 -2.965) 3.071 3.006 ( -1.899 -0.000 -12.119) 12.266 3.133 ( -15.301 -0.000 -13.352) 20.308 3.300 ( -5.177 -0.000 -6.354) 8.196 3.514 ( -5.229 -0.000 15.562) 16.417 3.668 ( 17.967 0.000 15.222) 23.548 3.769 ( -7.268 -0.000 2.752) 7.772 3.880 ( -7.555 -0.000 2.535) 7.969 4.095 ( -5.145 -0.000 -1.311) 5.309 4.160 ( -1.955 -0.000 -0.092) 1.957 4.267 ( -1.799 -0.000 3.433) 3.876 4.366 ( 0.441 0.000 -0.192) 0.481 4.419 ( 0.843 0.000 -4.662) 4.738 4.507 ( -3.264 -0.000 -1.527) 3.604 4.624 ( 0.969 0.000 0.869) 1.302 4.699 ( 1.009 0.000 4.131) 4.252 4.740 ( 2.051 0.000 -1.432) 2.502 4.814 ( 8.074 0.000 -6.934) 10.643 4.901 ( 7.852 0.000 -3.162) 8.465 5.075 ( -1.432 -0.000 -3.558) 3.835 5.182 ( 1.346 0.000 -6.582) 6.719 5.184 ( 6.500 0.000 -8.342) 10.575 5.368 ( 2.265 0.000 2.713) 3.534 5.505 ( 2.080 0.000 -6.400) 6.729 5.614 ( -4.350 -0.000 0.997) 4.463 5.715 ( -5.152 -0.000 11.359) 12.473 5.769 ( 19.297 0.000 16.529) 25.409 5.867 ( -5.991 -0.000 8.609) 10.488 5.960 ( 1.462 0.000 -8.917) 9.036 6.059 ( -1.720 -0.000 -1.487) 2.274 6.096 ( -1.878 -0.000 -14.202) 14.326 6.381 ( 1.844 0.000 0.517) 1.915 6.582 ( 3.037 0.000 5.294) 6.103 6.754 ( -11.276 -0.000 -5.060) 12.359 6.785 ( 9.583 0.000 6.158) 11.391 6.786 ( -4.701 -0.000 0.176) 4.705 7.009 ( 0.858 0.000 -2.420) 2.568 7.061 ( -6.798 -0.000 -2.964) 7.416 7.192 ( 2.780 0.000 -1.789) 3.305 7.238 ( -1.653 -0.000 -17.515) 17.592 7.413 ( 2.830 0.000 -0.349) 2.852 7.792 ( -2.489 -0.000 0.092) 2.491 8.104 ( 3.033 0.000 7.571) 8.155 8.190 ( 5.861 0.000 0.936) 5.936 8.299 ( -12.102 -0.000 -3.997) 12.745 8.382 ( 0.915 0.000 0.969) 1.333 9.407 ( 1.030 0.000 1.134) 1.532 9.508 ( 1.319 0.000 -1.527) 2.018 9.799 ( 2.723 0.000 1.338) 3.034 9.965 ( 1.035 0.000 0.131) 1.043 10.273 ( 2.311 0.000 1.024) 2.527 10.326 ( -2.242 -0.000 -1.965) 2.981 10.950 ( 3.446 0.000 2.223) 4.100 11.150 ( -7.383 -0.000 -3.401) 8.129 12.424 ( -2.714 -0.000 -2.856) 3.940 12.475 ( 4.981 0.000 2.873) 5.750 13.464 ( -0.972 -0.000 0.202) 0.993 13.493 ( -0.039 -0.000 0.348) 0.351 13.840 ( -5.617 -0.000 -3.765) 6.762 13.969 ( -1.322 -0.000 2.209) 2.575 14.476 ( -0.209 -0.000 0.352) 0.409 14.478 ( -0.839 -0.000 2.102) 2.263 14.709 ( -14.264 -0.000 -5.436) 15.265 14.988 ( 0.161 0.000 20.879) 20.880 15.241 ( 1.981 0.000 0.689) 2.097 15.364 ( 0.122 0.000 -0.243) 0.271 15.697 ( -4.071 -0.000 -1.007) 4.194 15.752 ( 0.678 0.000 2.544) 2.633 16.212 ( 4.321 0.000 1.640) 4.622 16.433 ( 0.134 0.000 -11.295) 11.296 16.617 ( 11.975 0.000 6.010) 13.399 16.790 ( -5.386 -0.000 -2.168) 5.806 17.365 ( 0.596 0.000 -4.307) 4.348 17.603 ( -2.189 -0.000 18.427) 18.557 19.452 ( -15.398 -0.000 -8.008) 17.356 19.636 ( 1.946 0.000 42.298) 42.343 21.162 ( -0.967 -0.000 -0.010) 0.967 21.190 ( 5.502 0.000 1.859) 5.808 25.686 ( -3.946 -0.000 -8.264) 9.158 26.763 ( -5.574 -0.000 84.521) 84.704 27.190 ( 0.607 0.000 2.557) 2.628 27.456 ( 6.209 0.000 -0.450) 6.225 28.391 ( 0.102 0.000 -0.245) 0.266 28.486 ( 1.355 0.000 -0.183) 1.367 29.106 ( -0.148 -0.000 0.509) 0.530 29.134 ( -0.240 -0.000 1.383) 1.404 31.583 ( 0.294 0.000 -0.176) 0.342 31.607 ( 0.078 0.000 0.182) 0.198 32.861 ( 0.895 0.000 -1.099) 1.417 32.991 ( -1.356 -0.000 -2.921) 3.220 33.176 ( 2.330 0.000 -14.914) 15.095 33.355 ( -2.879 -0.000 0.628) 2.946 33.515 ( 1.386 0.000 -0.379) 1.437 33.643 ( -1.127 -0.000 -1.205) 1.650 34.076 ( -8.520 -0.000 3.050) 9.050 34.369 ( 2.230 0.000 -20.709) 20.828 35.130 ( 1.708 0.000 -29.495) 29.545 35.860 ( 3.463 0.000 4.187) 5.433 ======================= Grid point 24 (17/117) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 15.009 -1.887 3.548) 15.537 1.011 ( 11.027 -2.608 2.336) 11.570 1.320 ( 26.829 -14.444 6.224) 31.099 1.575 ( 12.842 -7.485 -0.569) 14.875 1.741 ( 2.152 -4.980 -11.658) 12.858 1.815 ( 19.079 -15.339 13.916) 28.160 2.167 ( -7.436 -0.610 -3.469) 8.228 2.343 ( 1.626 1.938 10.339) 10.644 2.497 ( -5.727 -7.165 -12.923) 15.848 2.777 ( -4.335 -8.460 -4.919) 10.703 2.868 ( -5.478 -6.510 -1.064) 8.575 2.909 ( -6.605 -1.609 -6.022) 9.082 3.101 ( -6.357 -1.544 -6.401) 9.152 3.287 ( -5.370 -2.725 -5.379) 8.074 3.476 ( -0.817 2.861 12.841) 13.181 3.627 ( -5.253 5.024 9.453) 11.925 3.713 ( 1.809 3.717 4.579) 6.169 3.857 ( 2.632 3.528 0.129) 4.404 4.020 ( -0.227 1.264 0.254) 1.309 4.117 ( -2.710 5.763 0.533) 6.390 4.238 ( -2.841 -0.566 1.001) 3.065 4.377 ( -3.727 -2.165 -1.899) 4.710 4.450 ( 1.037 0.766 0.084) 1.292 4.518 ( 2.585 0.092 3.213) 4.124 4.595 ( -4.483 2.195 -0.593) 5.026 4.697 ( -0.323 -2.911 2.452) 3.819 4.759 ( 2.560 -0.998 -2.717) 3.864 4.841 ( 0.262 -0.219 -8.109) 8.116 4.961 ( -1.586 -1.080 -7.195) 7.447 5.079 ( 5.174 0.972 -1.651) 5.517 5.164 ( 2.662 2.654 -4.958) 6.222 5.202 ( 8.410 1.120 -3.925) 9.348 5.402 ( 1.271 -1.708 0.048) 2.130 5.514 ( 4.072 1.419 -3.277) 5.416 5.606 ( -1.625 -2.331 1.739) 3.332 5.687 ( -1.425 0.786 7.503) 7.678 5.797 ( -2.807 3.351 9.314) 10.288 5.947 ( 1.087 0.677 -3.461) 3.690 5.984 ( 3.535 -0.079 -7.465) 8.260 6.023 ( 1.233 2.047 2.293) 3.312 6.074 ( 4.734 -4.156 6.179) 8.824 6.352 ( 2.077 5.441 1.195) 5.945 6.561 ( -1.065 3.811 -0.112) 3.958 6.664 ( -9.725 1.910 -5.776) 11.471 6.693 ( -0.731 5.885 1.834) 6.207 6.807 ( 6.202 3.503 5.919) 9.262 6.934 ( 1.076 4.474 1.771) 4.931 7.023 ( -7.604 1.768 -6.241) 9.995 7.047 ( 4.603 6.034 0.034) 7.589 7.329 ( 2.611 -3.364 -2.197) 4.792 7.615 ( -3.866 -12.106 -6.165) 14.125 7.774 ( -5.200 -1.496 -0.699) 5.456 8.056 ( 3.384 7.586 6.373) 10.469 8.164 ( -6.641 2.612 -5.428) 8.966 8.316 ( -0.820 -6.795 0.925) 6.907 8.394 ( 0.693 -1.106 -0.585) 1.430 9.419 ( -0.378 -1.689 -0.272) 1.752 9.562 ( -0.170 -3.425 -0.022) 3.430 9.827 ( 3.183 -0.833 1.414) 3.581 9.984 ( 0.203 -0.483 0.040) 0.526 10.263 ( 2.622 2.324 1.702) 3.896 10.322 ( -2.275 -0.558 -2.102) 3.147 10.999 ( 3.616 -2.532 2.367) 5.009 11.116 ( -7.297 -1.559 -3.213) 8.124 12.422 ( -2.757 -1.673 -2.965) 4.381 12.516 ( 4.880 -0.848 2.922) 5.751 13.453 ( -0.716 0.725 0.394) 1.092 13.485 ( -0.234 0.692 -0.080) 0.735 13.784 ( -6.981 1.202 -4.270) 8.271 13.947 ( -0.208 1.482 1.084) 1.848 14.465 ( -0.945 0.292 0.596) 1.154 14.483 ( -0.359 -0.464 0.571) 0.818 14.594 ( -11.119 3.085 -4.148) 12.262 14.883 ( 5.552 10.153 14.149) 18.279 15.243 ( 1.183 0.333 0.444) 1.307 15.370 ( -0.766 0.124 -0.692) 1.040 15.667 ( -4.399 0.273 -1.293) 4.593 15.751 ( 0.678 0.562 2.888) 3.020 16.234 ( 4.805 0.795 2.124) 5.314 16.388 ( 2.847 3.874 -4.957) 6.906 16.662 ( 5.017 3.366 2.174) 6.420 16.710 ( 1.097 3.389 0.777) 3.646 17.363 ( -0.121 0.206 -4.373) 4.379 17.519 ( 3.864 5.620 10.195) 12.266 19.339 ( -15.371 1.250 -8.337) 17.531 19.512 ( 12.799 10.986 24.838) 30.024 21.148 ( -1.937 -1.138 -3.138) 3.859 21.308 ( 2.313 -5.002 3.117) 6.331 25.604 ( -3.391 5.406 -7.365) 9.745 26.299 ( 14.902 33.852 39.429) 54.061 27.171 ( 0.546 1.839 -2.417) 3.085 27.476 ( 4.219 2.757 0.481) 5.063 28.398 ( 0.132 -0.644 -0.390) 0.765 28.488 ( 1.232 0.657 -0.171) 1.407 29.111 ( -0.018 -0.371 0.078) 0.379 29.118 ( 0.527 0.464 0.239) 0.742 31.623 ( -0.093 -1.969 0.304) 1.995 31.686 ( -3.089 -7.088 2.146) 8.024 32.879 ( 0.555 -0.648 -1.011) 1.323 32.949 ( -0.106 0.760 -6.107) 6.155 33.142 ( 4.812 -0.930 -1.905) 5.259 33.432 ( -5.932 -3.231 2.053) 7.060 33.596 ( 0.899 -6.942 0.975) 7.067 33.846 ( -3.833 -15.038 2.198) 15.674 34.031 ( -4.490 -1.315 0.541) 4.710 34.487 ( -8.701 -9.813 -7.649) 15.183 35.120 ( 0.860 1.026 -19.238) 19.284 35.830 ( 2.709 5.281 3.570) 6.926 ======================= Grid point 25 (18/117) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 10.101 -2.911 0.358) 10.518 1.260 ( 8.994 -15.134 2.691) 17.809 1.641 ( 7.927 -2.342 3.112) 8.832 1.756 ( 0.658 -6.827 -2.098) 7.173 1.828 ( 4.607 -9.482 2.093) 10.747 2.170 ( 4.256 -16.543 3.187) 17.377 2.229 ( -4.310 -6.384 2.317) 8.043 2.556 ( 10.730 -12.901 -1.085) 16.815 2.633 ( -0.183 -8.833 -1.918) 9.041 2.789 ( -6.058 0.106 -15.776) 16.899 2.904 ( -1.081 -6.421 -2.356) 6.925 3.006 ( -6.612 1.245 -6.344) 9.247 3.174 ( 0.693 -12.103 6.175) 13.605 3.291 ( -4.711 -0.079 9.023) 10.179 3.454 ( 6.668 -0.946 0.652) 6.766 3.568 ( -2.509 0.579 3.773) 4.568 3.648 ( -2.190 2.700 0.451) 3.505 3.806 ( 3.582 3.539 2.265) 5.521 3.958 ( 0.554 5.144 -4.159) 6.638 4.007 ( -1.970 1.002 1.780) 2.838 4.242 ( -4.314 -0.673 2.508) 5.035 4.344 ( -6.996 5.497 1.701) 9.059 4.363 ( -0.330 3.425 0.191) 3.446 4.547 ( 4.260 -1.560 2.644) 5.250 4.597 ( -2.689 -2.937 2.390) 4.644 4.735 ( -0.477 -0.336 1.453) 1.565 4.800 ( -0.264 -1.957 -4.051) 4.507 4.839 ( -2.385 -0.892 -4.625) 5.280 4.926 ( -4.282 1.707 -5.072) 6.854 5.027 ( 5.156 6.274 -4.439) 9.254 5.166 ( 6.055 1.274 0.354) 6.198 5.241 ( 1.208 -1.482 -5.117) 5.463 5.432 ( 2.312 0.845 0.887) 2.616 5.489 ( 0.796 1.896 -2.382) 3.147 5.626 ( -0.658 4.072 5.438) 6.826 5.655 ( 2.682 1.697 1.219) 3.400 5.715 ( -2.036 2.432 5.668) 6.495 5.845 ( -4.094 5.702 -9.254) 11.616 5.945 ( -0.610 2.465 -6.323) 6.814 6.017 ( 2.943 0.088 5.416) 6.164 6.202 ( 6.975 3.877 1.585) 8.136 6.251 ( 0.873 1.228 9.010) 9.135 6.450 ( -1.875 4.671 -4.185) 6.546 6.519 ( -1.463 8.565 -1.383) 8.799 6.649 ( 0.977 -0.565 1.299) 1.721 6.722 ( -0.744 6.070 2.554) 6.627 6.897 ( 5.267 3.238 3.666) 7.188 6.948 ( -4.982 0.004 -2.733) 5.682 7.003 ( 2.591 1.591 2.128) 3.711 7.357 ( -1.486 1.323 -3.400) 3.939 7.674 ( 0.088 1.870 -1.773) 2.578 7.872 ( -4.228 -6.122 -1.725) 7.637 7.937 ( 1.592 1.613 3.163) 3.890 8.085 ( -6.631 0.978 -3.942) 7.776 8.363 ( 0.700 1.197 -0.781) 1.592 8.507 ( 0.158 -8.416 0.454) 8.430 9.462 ( -2.182 -3.315 -1.249) 4.161 9.622 ( -0.106 -3.191 1.368) 3.474 9.864 ( 2.988 -0.749 1.174) 3.296 9.964 ( -0.824 2.359 -0.241) 2.510 10.227 ( 2.761 3.059 2.187) 4.665 10.311 ( -1.956 0.255 -1.741) 2.631 11.086 ( 3.469 -3.900 2.276) 5.694 11.115 ( -6.126 -2.683 -2.845) 7.268 12.446 ( -2.573 -2.426 -2.748) 4.479 12.565 ( 4.194 -1.006 2.705) 5.091 13.426 ( -0.039 1.800 0.384) 1.841 13.467 ( -0.497 0.902 -0.378) 1.097 13.716 ( -7.690 0.898 -5.161) 9.305 13.913 ( 1.436 2.385 1.605) 3.213 14.455 ( -2.166 0.196 -0.749) 2.300 14.461 ( -7.216 2.403 -3.002) 8.176 14.498 ( 1.027 0.595 1.256) 1.728 14.745 ( 8.499 8.680 10.279) 15.914 15.245 ( -0.687 -0.366 -0.703) 1.049 15.349 ( -1.087 1.075 -1.466) 2.118 15.635 ( -3.961 0.146 -1.303) 4.173 15.743 ( 0.453 0.721 2.593) 2.729 16.243 ( 4.170 1.280 1.795) 4.717 16.335 ( 3.539 3.800 -0.125) 5.194 16.549 ( -7.368 4.068 -6.323) 10.527 16.717 ( 12.148 3.296 7.037) 14.421 17.355 ( -1.140 0.103 -3.945) 4.108 17.472 ( 4.545 2.811 4.141) 6.761 19.216 ( -13.365 1.766 -7.783) 15.567 19.445 ( 14.035 6.356 15.154) 21.610 21.170 ( -3.478 -2.792 -3.993) 5.986 21.392 ( 2.195 -2.417 2.601) 4.174 25.455 ( -2.450 7.430 -4.985) 9.277 25.857 ( 12.930 23.203 14.807) 30.411 27.130 ( -0.137 2.358 -2.712) 3.596 27.414 ( 2.977 5.653 0.457) 6.405 28.413 ( 0.142 -0.772 -0.400) 0.881 28.478 ( 0.803 1.008 0.009) 1.288 29.114 ( 0.306 -0.033 -0.350) 0.466 29.126 ( -0.144 -0.668 0.402) 0.793 31.670 ( 0.114 -2.657 0.425) 2.694 31.797 ( -2.216 -6.400 1.496) 6.936 32.885 ( 0.502 -0.203 -1.520) 1.613 32.971 ( -2.478 -2.831 -3.065) 4.853 33.213 ( 5.058 -2.390 0.049) 5.595 33.442 ( -4.242 -1.313 1.985) 4.864 33.790 ( 3.266 -11.445 1.605) 12.009 34.002 ( -6.206 -5.838 1.594) 8.669 34.158 ( 2.992 -11.531 0.142) 11.914 34.579 ( -11.784 -6.918 -0.290) 13.667 35.091 ( 0.038 1.796 -11.177) 11.320 35.706 ( 1.238 8.561 2.286) 8.947 ======================= Grid point 26 (19/117) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 8.576 -9.077 -0.922) 12.522 1.555 ( 4.924 -6.729 -1.416) 8.458 1.723 ( -9.732 -13.792 -0.867) 16.902 1.916 ( 2.221 -10.818 -1.764) 11.184 2.088 ( 10.348 -7.775 10.506) 16.671 2.366 ( -1.676 -9.981 0.303) 10.126 2.492 ( 4.970 -10.818 3.882) 12.522 2.688 ( -2.855 3.271 1.055) 4.468 2.719 ( -4.378 -7.457 -0.954) 8.700 2.781 ( 0.347 -2.542 -12.142) 12.410 2.942 ( 0.754 3.597 -5.543) 6.651 3.124 ( 2.356 -10.427 -0.261) 10.693 3.273 ( -4.689 -4.393 8.039) 10.291 3.399 ( -0.047 -6.519 0.212) 6.522 3.527 ( 1.376 1.877 -0.223) 2.338 3.543 ( 1.501 1.258 2.103) 2.873 3.568 ( 4.412 0.721 -1.769) 4.808 3.769 ( 3.868 2.877 -2.418) 5.393 3.881 ( -2.020 -0.006 0.984) 2.247 4.055 ( -2.612 -2.411 -2.166) 4.162 4.152 ( -5.220 4.399 4.294) 8.064 4.223 ( -1.983 5.566 -1.665) 6.139 4.289 ( -1.849 2.833 3.926) 5.182 4.624 ( -4.045 -2.186 0.207) 4.602 4.641 ( 4.615 -4.435 2.478) 6.864 4.715 ( 2.601 1.446 1.154) 3.192 4.791 ( -2.323 1.185 -0.692) 2.698 4.839 ( -0.509 4.012 -1.219) 4.224 4.872 ( -3.527 -2.447 -1.469) 4.537 4.971 ( 4.358 2.177 -1.092) 4.992 5.127 ( 4.515 7.145 -2.067) 8.701 5.255 ( -3.406 0.366 -5.718) 6.666 5.375 ( -3.077 2.127 2.459) 4.477 5.444 ( -1.228 2.275 -1.614) 3.048 5.558 ( 1.620 2.428 1.017) 3.091 5.591 ( -0.602 3.668 3.085) 4.831 5.687 ( 6.705 3.774 2.181) 7.997 5.725 ( -3.567 4.413 -7.245) 9.203 5.882 ( -2.166 2.355 -3.968) 5.097 6.050 ( 1.048 -1.381 4.751) 5.058 6.163 ( 2.848 0.715 -1.837) 3.463 6.211 ( -2.831 2.177 1.860) 4.027 6.332 ( 1.823 9.763 0.296) 9.937 6.400 ( 3.783 3.322 4.663) 6.862 6.626 ( -4.421 1.556 -1.182) 4.834 6.696 ( 1.604 -1.642 0.893) 2.463 6.849 ( 6.829 4.649 2.310) 8.578 6.948 ( -1.694 -1.584 1.539) 2.784 7.017 ( 1.778 -0.328 1.057) 2.095 7.282 ( -5.552 1.940 -4.692) 7.523 7.626 ( -1.954 2.461 -3.172) 4.465 7.844 ( 5.623 3.014 2.027) 6.695 8.007 ( -2.204 1.729 -0.678) 2.883 8.087 ( -3.804 -8.004 2.966) 9.345 8.326 ( -0.574 2.278 -4.694) 5.249 8.648 ( 0.345 -5.759 1.318) 5.918 9.510 ( -2.618 -3.246 -1.263) 4.357 9.688 ( 0.975 -3.241 2.079) 3.972 9.880 ( 0.097 1.727 -0.496) 1.799 9.902 ( 0.763 2.157 0.422) 2.327 10.187 ( 2.176 2.719 1.672) 3.863 10.292 ( -1.195 0.440 -1.064) 1.659 11.128 ( -5.018 -2.435 -2.557) 6.136 11.187 ( 3.429 -3.880 2.197) 5.625 12.473 ( -2.348 -2.023 -2.325) 3.874 12.605 ( 3.248 -0.632 2.251) 4.002 13.389 ( 0.329 1.962 0.293) 2.011 13.446 ( -0.351 0.959 -0.340) 1.076 13.647 ( -8.297 0.937 -5.708) 10.115 13.883 ( 3.138 2.162 2.780) 4.717 14.379 ( -3.597 1.686 -1.798) 4.360 14.435 ( -2.468 0.995 -1.782) 3.202 14.506 ( 1.352 -0.287 1.701) 2.192 14.673 ( 8.707 4.884 8.015) 12.802 15.250 ( -1.826 -1.030 -1.722) 2.713 15.328 ( -1.209 0.104 -1.390) 1.845 15.615 ( -2.900 -0.424 -1.109) 3.133 15.732 ( 0.209 0.650 1.626) 1.763 16.236 ( 2.738 1.847 1.212) 3.518 16.282 ( 1.342 3.276 0.767) 3.623 16.441 ( -6.316 2.352 -6.258) 9.197 16.724 ( 10.949 3.700 6.934) 13.478 17.339 ( -2.434 0.332 -3.501) 4.277 17.455 ( 3.290 1.855 1.799) 4.183 19.104 ( -10.329 1.833 -6.470) 12.325 19.431 ( 11.538 4.153 9.848) 15.727 21.203 ( -3.745 -3.099 -3.451) 5.961 21.436 ( 2.080 -0.805 2.014) 3.005 25.306 ( -1.738 6.271 -2.749) 7.065 25.560 ( 6.741 14.872 5.452) 17.215 27.087 ( -0.578 1.631 -1.785) 2.486 27.314 ( 1.731 5.979 0.540) 6.248 28.426 ( 0.094 -0.428 -0.342) 0.555 28.463 ( 0.424 0.830 0.169) 0.947 29.116 ( -0.003 -0.038 -0.112) 0.118 29.136 ( -0.124 -0.432 0.158) 0.476 31.719 ( 0.164 -2.262 0.329) 2.292 31.904 ( -0.852 -5.500 0.621) 5.600 32.896 ( 0.725 -0.526 -1.002) 1.344 33.002 ( -4.110 -2.669 -1.069) 5.016 33.280 ( 5.056 -1.109 0.078) 5.176 33.433 ( -2.597 -0.060 1.254) 2.885 34.032 ( 2.661 -9.410 -0.422) 9.788 34.092 ( -0.880 -7.191 2.024) 7.522 34.409 ( 1.776 -12.082 -0.020) 12.211 34.621 ( -8.543 -4.682 1.260) 9.823 35.046 ( -0.508 2.433 -5.592) 6.119 35.545 ( -0.058 8.016 1.040) 8.083 ======================= Grid point 27 (20/117) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 5.925 -8.189 -0.292) 10.112 1.649 ( -3.609 -5.806 -1.740) 7.055 2.000 ( 2.115 -13.456 -1.679) 13.724 2.089 ( 1.264 -1.586 -0.868) 2.206 2.225 ( -0.200 -4.008 4.355) 5.922 2.508 ( -0.547 -4.733 1.408) 4.968 2.603 ( -1.232 -1.223 3.573) 3.973 2.670 ( 5.243 -2.640 -1.558) 6.074 2.793 ( 1.272 -1.114 0.471) 1.756 2.881 ( -3.761 -2.780 -1.387) 4.879 2.985 ( -0.521 -12.909 -2.255) 13.114 3.156 ( 1.126 4.924 -1.820) 5.369 3.286 ( -2.142 2.919 1.444) 3.898 3.383 ( -6.771 1.164 -2.917) 7.464 3.450 ( 1.873 6.313 0.654) 6.617 3.556 ( 1.864 0.867 2.421) 3.176 3.690 ( 4.552 -6.494 -0.038) 7.931 3.750 ( 4.574 3.060 -2.932) 6.235 3.931 ( 1.273 -2.302 0.653) 2.710 4.001 ( -1.804 4.498 -0.719) 4.899 4.099 ( -3.375 -1.074 7.715) 8.489 4.121 ( -0.756 -0.615 -5.368) 5.455 4.259 ( 0.106 -0.525 5.211) 5.238 4.571 ( -7.846 2.411 -5.970) 10.150 4.643 ( -1.221 4.090 -2.516) 4.955 4.735 ( 3.355 2.177 3.812) 5.525 4.788 ( 1.404 -1.188 2.080) 2.777 4.848 ( -1.981 -2.643 -1.543) 3.646 4.917 ( 1.819 -2.765 0.892) 3.427 4.970 ( 0.310 0.904 -2.577) 2.748 4.994 ( 0.410 2.130 0.514) 2.229 5.203 ( 3.825 3.011 -2.816) 5.624 5.335 ( -3.927 1.832 3.574) 5.616 5.417 ( 0.963 1.768 0.550) 2.087 5.517 ( -0.380 3.343 -2.673) 4.297 5.550 ( -3.517 -1.563 3.455) 5.172 5.634 ( 6.553 4.342 4.454) 9.035 5.654 ( -2.714 0.907 -8.117) 8.607 5.843 ( -2.324 0.203 -2.132) 3.161 6.077 ( 0.538 -0.379 1.102) 1.283 6.153 ( -1.188 0.543 -0.981) 1.634 6.175 ( 0.711 3.986 0.509) 4.080 6.204 ( 4.619 3.720 1.601) 6.143 6.373 ( 3.023 1.214 5.975) 6.805 6.580 ( -0.624 3.447 -1.629) 3.863 6.697 ( -5.893 -2.759 -3.521) 7.399 6.850 ( 6.858 0.667 3.993) 7.964 6.962 ( -1.262 0.935 0.986) 1.855 7.020 ( -1.264 -1.430 -1.778) 2.608 7.275 ( -1.348 -3.239 -1.632) 3.869 7.552 ( -3.058 3.184 -3.173) 5.436 7.828 ( 5.304 3.346 2.815) 6.875 7.941 ( -3.355 1.915 -1.135) 4.026 8.203 ( 2.586 -2.628 7.924) 8.740 8.288 ( -2.461 -0.767 -7.879) 8.290 8.730 ( 0.343 -2.673 0.782) 2.806 9.555 ( -1.548 -2.911 -0.617) 3.354 9.749 ( 2.026 -1.336 2.742) 3.661 9.814 ( -2.284 1.960 -2.560) 3.951 9.893 ( 1.412 1.156 0.708) 1.958 10.151 ( 0.882 2.095 0.470) 2.322 10.285 ( -0.149 -0.341 -0.104) 0.386 11.137 ( -3.409 -1.200 -1.877) 4.072 11.272 ( 2.662 -2.776 1.714) 4.211 12.489 ( -1.926 -1.110 -1.725) 2.814 12.629 ( 2.173 0.044 1.604) 2.701 13.358 ( 0.234 1.406 0.169) 1.435 13.431 ( 0.047 0.369 -0.094) 0.384 13.578 ( -6.807 0.965 -4.542) 8.240 13.873 ( 2.965 1.127 2.536) 4.061 14.350 ( -1.507 -0.227 -0.834) 1.737 14.388 ( -1.664 2.046 -1.470) 3.019 14.525 ( 1.454 -0.559 1.640) 2.262 14.661 ( 6.395 1.909 4.958) 8.314 15.261 ( -1.509 -1.252 -1.500) 2.469 15.331 ( -0.842 -0.988 -0.768) 1.508 15.617 ( -1.604 -1.240 -0.884) 2.212 15.725 ( -0.073 0.124 0.475) 0.497 16.201 ( 0.218 2.296 0.322) 2.328 16.243 ( 0.643 1.583 0.415) 1.758 16.371 ( -4.060 1.726 -3.988) 5.947 16.721 ( 8.017 2.908 5.613) 10.209 17.309 ( -2.879 0.929 -2.704) 4.058 17.439 ( 1.687 1.531 0.817) 2.421 19.016 ( -7.038 1.437 -4.711) 8.590 19.432 ( 7.924 2.312 6.000) 10.204 21.238 ( -2.819 -2.778 -2.286) 4.571 21.453 ( 1.628 0.242 1.389) 2.154 25.202 ( -1.234 3.443 -1.320) 3.888 25.373 ( 2.749 7.850 1.957) 8.544 27.065 ( -0.563 0.162 -0.870) 1.049 27.220 ( 0.799 4.380 0.416) 4.471 28.431 ( 0.030 -0.101 -0.198) 0.224 28.453 ( 0.176 0.514 0.150) 0.563 29.116 ( -0.078 -0.069 -0.011) 0.105 29.141 ( -0.056 -0.193 0.029) 0.203 31.753 ( 0.065 -1.152 0.128) 1.161 31.987 ( -0.134 -3.254 0.167) 3.261 32.910 ( 0.856 -0.324 -0.458) 1.023 33.030 ( -3.428 -2.918 -0.089) 4.502 33.317 ( 4.281 0.221 -0.057) 4.287 33.414 ( -2.012 0.747 0.472) 2.197 34.128 ( -2.455 -2.917 -1.528) 4.107 34.270 ( 5.939 -6.156 3.060) 9.085 34.565 ( -6.280 -3.840 -0.675) 7.392 34.720 ( 2.427 -9.173 -0.285) 9.493 34.989 ( -1.019 2.733 -1.161) 3.139 35.420 ( -0.600 4.535 0.156) 4.577 ======================= Grid point 28 (21/117) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 1.594 1.342 -0.191) 2.093 1.739 ( 1.700 -3.305 -0.385) 3.736 1.990 ( -2.965 6.873 1.136) 7.571 2.188 ( 2.608 -3.776 -1.306) 4.771 2.229 ( -2.757 5.080 -1.607) 5.999 2.513 ( 1.301 10.975 -0.187) 11.053 2.573 ( 0.962 -1.021 1.481) 2.040 2.787 ( -1.660 -11.064 2.755) 11.522 2.865 ( 0.328 2.470 -0.791) 2.614 2.915 ( -1.864 3.405 -1.256) 4.080 2.952 ( -0.260 -0.917 0.307) 1.002 3.180 ( -0.200 0.308 -0.336) 0.497 3.299 ( 3.307 2.310 -4.911) 6.355 3.325 ( -0.301 0.116 5.032) 5.042 3.403 ( -3.771 -10.176 -2.116) 11.056 3.573 ( 0.936 -2.237 2.361) 3.385 3.639 ( 0.459 8.377 -0.620) 8.413 3.761 ( -0.238 1.238 -0.500) 1.356 3.906 ( 0.437 2.192 -0.292) 2.254 3.960 ( 0.619 -1.012 1.089) 1.610 4.153 ( 7.536 -2.453 6.765) 10.420 4.228 ( -0.824 -4.335 -6.067) 7.503 4.338 ( 2.665 -5.743 5.315) 8.266 4.434 ( -9.232 3.837 -5.911) 11.615 4.611 ( -1.699 -2.526 -0.994) 3.202 4.728 ( 0.769 -0.293 -1.305) 1.543 4.780 ( -2.450 1.624 0.281) 2.953 4.831 ( -0.631 2.810 -0.373) 2.904 4.900 ( 4.263 1.048 2.545) 5.074 4.956 ( -3.069 -1.802 -3.008) 4.660 5.124 ( 1.099 -5.898 -0.050) 5.999 5.199 ( 3.831 0.064 2.948) 4.835 5.289 ( -1.734 -0.620 -3.705) 4.137 5.337 ( -1.023 4.864 5.779) 7.622 5.455 ( -1.024 2.942 -1.546) 3.478 5.543 ( 4.888 4.283 -0.743) 6.541 5.637 ( -0.385 -1.209 5.393) 5.540 5.674 ( -2.563 -6.042 -5.654) 8.662 5.841 ( -1.663 -1.355 -1.024) 2.377 6.048 ( -0.359 3.039 -0.897) 3.189 6.124 ( 2.455 2.815 0.622) 3.787 6.156 ( -0.485 -0.210 0.440) 0.688 6.157 ( 1.634 2.282 1.601) 3.231 6.383 ( -2.090 -0.490 0.026) 2.147 6.528 ( 3.884 0.430 1.817) 4.310 6.726 ( -3.968 -1.330 -2.567) 4.909 6.882 ( 2.225 -0.125 1.516) 2.696 6.920 ( -1.111 0.594 -0.512) 1.360 7.039 ( -0.537 0.028 -0.577) 0.788 7.345 ( 0.833 -3.423 0.191) 3.528 7.481 ( -2.420 2.123 -1.670) 3.627 7.786 ( 1.694 1.864 1.744) 3.063 7.918 ( -1.061 -0.416 -0.694) 1.335 8.219 ( 1.347 0.270 1.133) 1.780 8.333 ( -0.342 -2.993 -0.823) 3.122 8.764 ( 0.430 -0.880 0.260) 1.014 9.603 ( -0.279 -2.736 -0.019) 2.750 9.723 ( -0.066 2.986 -0.086) 2.988 9.821 ( -0.228 -1.202 -0.319) 1.265 9.874 ( 0.451 0.859 0.307) 1.017 10.122 ( 0.084 1.082 -0.159) 1.097 10.302 ( 0.325 -1.179 0.304) 1.260 11.127 ( -1.681 0.548 -0.962) 2.013 11.322 ( 1.438 -1.040 0.941) 2.008 12.492 ( -1.131 -0.224 -0.934) 1.484 12.631 ( 1.048 0.867 0.831) 1.594 13.341 ( -0.002 0.361 0.008) 0.361 13.436 ( 0.507 -0.762 0.304) 0.964 13.528 ( -3.988 0.578 -2.676) 4.837 13.875 ( 1.396 0.261 1.358) 1.965 14.348 ( -0.865 0.358 -0.700) 1.169 14.365 ( -0.515 -1.285 -0.380) 1.435 14.542 ( 1.005 -0.286 0.928) 1.397 14.672 ( 3.510 0.472 2.280) 4.212 15.276 ( -0.530 -0.992 -0.540) 1.247 15.346 ( -0.328 -0.741 -0.269) 0.854 15.640 ( -0.529 -1.735 -0.597) 1.909 15.730 ( -0.118 -0.778 -0.197) 0.811 16.176 ( 0.676 0.413 0.631) 1.013 16.217 ( -0.135 1.371 0.028) 1.378 16.315 ( -3.022 1.800 -2.310) 4.209 16.721 ( 4.211 1.092 3.250) 5.430 17.267 ( -2.203 1.695 -1.625) 3.220 17.419 ( 0.452 1.234 0.341) 1.357 18.962 ( -3.647 0.575 -2.584) 4.507 19.448 ( 4.014 0.032 2.842) 4.919 21.270 ( -1.364 -1.923 -1.066) 2.587 21.449 ( 0.927 0.979 0.733) 1.535 25.159 ( -0.807 0.330 -0.591) 1.053 25.293 ( 0.855 1.929 0.666) 2.213 27.072 ( -0.244 -0.989 -0.198) 1.038 27.165 ( 0.179 1.473 0.129) 1.489 28.432 ( 0.005 -0.003 -0.022) 0.022 28.446 ( 0.022 0.266 0.023) 0.268 29.117 ( -0.025 -0.104 0.011) 0.108 29.143 ( -0.008 -0.065 -0.022) 0.070 31.762 ( -0.039 0.267 0.006) 0.270 32.021 ( 0.065 -0.329 -0.010) 0.335 32.916 ( 0.377 0.157 0.054) 0.411 33.074 ( -1.377 -3.135 -0.099) 3.426 33.331 ( 4.272 1.525 -0.117) 4.538 33.379 ( -3.150 0.520 0.183) 3.198 34.126 ( -1.408 2.000 -0.742) 2.556 34.365 ( 3.659 -0.505 2.371) 4.389 34.543 ( -4.035 1.969 -1.259) 4.663 34.903 ( 5.324 -2.748 -6.974) 9.194 34.953 ( -3.131 -4.038 6.683) 8.413 35.370 ( -0.532 0.345 -0.090) 0.641 ======================= Grid point 29 (22/117) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -0.000 9.846 -0.000) 9.846 1.750 ( -0.000 4.294 -0.000) 4.294 1.812 ( -0.000 11.224 -0.000) 11.224 2.000 ( -0.000 15.925 -0.000) 15.925 2.247 ( -0.000 13.071 -0.000) 13.071 2.276 ( 0.000 -6.016 0.000) 6.016 2.603 ( -0.000 4.447 -0.000) 4.447 2.690 ( -0.000 5.264 -0.000) 5.264 2.697 ( -0.000 11.864 -0.000) 11.864 2.988 ( -0.000 1.112 -0.000) 1.112 3.140 ( 0.000 -8.240 0.000) 8.240 3.145 ( 0.000 -7.144 0.000) 7.144 3.281 ( -0.000 2.212 -0.000) 2.212 3.345 ( -0.000 0.313 -0.000) 0.313 3.500 ( -0.000 3.131 -0.000) 3.131 3.545 ( 0.000 -2.042 0.000) 2.042 3.669 ( -0.000 6.704 -0.000) 6.704 3.675 ( 0.000 -5.630 0.000) 5.630 3.936 ( 0.000 -1.372 0.000) 1.372 3.990 ( 0.000 -5.152 0.000) 5.152 4.152 ( -0.000 8.308 -0.000) 8.308 4.313 ( 0.000 -4.134 0.000) 4.134 4.330 ( 0.000 -4.502 0.000) 4.502 4.430 ( -0.000 0.256 -0.000) 0.256 4.695 ( 0.000 -0.396 0.000) 0.396 4.736 ( 0.000 -3.068 0.000) 3.068 4.784 ( 0.000 -4.303 0.000) 4.303 4.843 ( 0.000 -4.176 0.000) 4.176 4.915 ( -0.000 1.950 -0.000) 1.950 4.937 ( 0.000 -2.307 0.000) 2.307 5.186 ( 0.000 -1.255 0.000) 1.255 5.223 ( -0.000 1.527 -0.000) 1.527 5.291 ( 0.000 -1.335 0.000) 1.335 5.358 ( 0.000 -4.981 0.000) 4.981 5.396 ( -0.000 1.453 -0.000) 1.453 5.474 ( -0.000 3.359 -0.000) 3.359 5.650 ( 0.000 -0.924 0.000) 0.924 5.811 ( 0.000 -7.544 0.000) 7.544 5.876 ( 0.000 -2.809 0.000) 2.809 5.979 ( -0.000 3.622 -0.000) 3.622 6.057 ( -0.000 3.338 -0.000) 3.338 6.155 ( -0.000 0.659 -0.000) 0.659 6.172 ( 0.000 -2.906 0.000) 2.906 6.365 ( -0.000 1.135 -0.000) 1.135 6.604 ( 0.000 -4.894 0.000) 4.894 6.693 ( -0.000 1.898 -0.000) 1.898 6.865 ( -0.000 0.762 -0.000) 0.762 6.944 ( 0.000 -1.355 0.000) 1.355 7.007 ( -0.000 2.317 -0.000) 2.317 7.404 ( 0.000 -2.553 0.000) 2.553 7.452 ( 0.000 -0.262 0.000) 0.262 7.816 ( 0.000 -3.747 0.000) 3.747 7.913 ( -0.000 0.933 -0.000) 0.933 8.243 ( 0.000 -2.351 0.000) 2.351 8.372 ( 0.000 -1.247 0.000) 1.247 8.774 ( -0.000 0.045 -0.000) 0.045 9.642 ( -0.000 0.497 -0.000) 0.497 9.679 ( 0.000 -0.254 0.000) 0.254 9.793 ( -0.000 3.295 -0.000) 3.295 9.896 ( 0.000 -2.200 0.000) 2.200 10.117 ( 0.000 -0.635 0.000) 0.635 10.329 ( 0.000 -1.497 0.000) 1.497 11.094 ( -0.000 2.330 -0.000) 2.330 11.330 ( -0.000 0.662 -0.000) 0.662 12.484 ( -0.000 0.584 -0.000) 0.584 12.610 ( -0.000 1.672 -0.000) 1.672 13.348 ( 0.000 -1.038 0.000) 1.038 13.467 ( 0.000 -2.220 0.000) 2.220 13.504 ( -0.000 0.372 -0.000) 0.372 13.878 ( 0.000 -0.078 0.000) 0.078 14.362 ( 0.000 -2.188 0.000) 2.188 14.394 ( 0.000 -1.590 0.000) 1.590 14.551 ( 0.000 -0.462 0.000) 0.462 14.687 ( 0.000 -0.924 0.000) 0.924 15.289 ( 0.000 -0.435 0.000) 0.435 15.351 ( 0.000 -0.024 0.000) 0.024 15.668 ( 0.000 -1.315 0.000) 1.315 15.752 ( 0.000 -1.394 0.000) 1.394 16.189 ( -0.000 1.386 -0.000) 1.386 16.196 ( 0.000 -1.886 0.000) 1.886 16.266 ( -0.000 1.908 -0.000) 1.908 16.735 ( 0.000 -0.957 0.000) 0.957 17.221 ( -0.000 2.186 -0.000) 2.186 17.400 ( -0.000 0.962 -0.000) 0.962 18.947 ( 0.000 -0.218 0.000) 0.218 19.483 ( 0.000 -2.202 0.000) 2.202 21.291 ( 0.000 -0.562 0.000) 0.562 21.428 ( -0.000 1.602 -0.000) 1.602 25.176 ( 0.000 -2.279 0.000) 2.279 25.306 ( 0.000 -2.933 0.000) 2.933 27.089 ( 0.000 -0.807 0.000) 0.807 27.175 ( 0.000 -2.412 0.000) 2.412 28.430 ( -0.000 0.183 -0.000) 0.183 28.444 ( 0.000 -0.068 0.000) 0.068 29.119 ( -0.000 0.024 -0.000) 0.024 29.143 ( -0.000 0.084 -0.000) 0.084 31.744 ( -0.000 1.506 -0.000) 1.506 32.003 ( -0.000 2.150 -0.000) 2.150 32.910 ( -0.000 0.605 -0.000) 0.605 33.119 ( 0.000 -1.678 0.000) 1.678 33.270 ( -0.000 5.325 -0.000) 5.325 33.406 ( 0.000 -3.644 0.000) 3.644 34.035 ( -0.000 6.809 -0.000) 6.809 34.344 ( -0.000 3.591 -0.000) 3.591 34.440 ( -0.000 7.483 -0.000) 7.483 34.901 ( -0.000 0.184 -0.000) 0.184 35.085 ( 0.000 -6.066 0.000) 6.066 35.400 ( 0.000 -3.596 0.000) 3.596 ======================= Grid point 34 (23/117) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 21.060 0.000 -4.261) 21.487 0.991 ( 20.332 0.000 4.618) 20.850 1.257 ( 11.826 0.000 -2.945) 12.187 1.655 ( 16.962 0.000 -1.029) 16.993 1.722 ( 4.577 0.000 -12.271) 13.096 1.799 ( 15.315 0.000 16.707) 22.664 2.194 ( 7.925 0.000 6.273) 10.107 2.237 ( -13.033 -0.000 -11.865) 17.625 2.444 ( -3.368 -0.000 10.581) 11.104 2.638 ( -2.840 -0.000 5.546) 6.231 2.743 ( -0.829 -0.000 -2.824) 2.943 2.952 ( -5.048 -0.000 -8.682) 10.043 2.954 ( -12.519 -0.000 -14.135) 18.882 3.189 ( -12.116 -0.000 -5.770) 13.419 3.481 ( -0.396 -0.000 17.319) 17.324 3.619 ( -11.192 -0.000 3.576) 11.750 3.895 ( 5.191 0.000 2.964) 5.978 3.901 ( 14.709 0.000 9.604) 17.567 4.001 ( -7.932 -0.000 -3.044) 8.496 4.139 ( -1.233 -0.000 -0.658) 1.398 4.257 ( -0.132 -0.000 2.394) 2.398 4.317 ( -5.140 -0.000 -6.547) 8.324 4.460 ( 3.427 0.000 -0.288) 3.439 4.461 ( -3.174 -0.000 -3.888) 5.019 4.636 ( 0.678 0.000 1.607) 1.744 4.708 ( -0.496 -0.000 7.528) 7.544 4.762 ( 1.555 0.000 -0.244) 1.574 4.856 ( -2.301 -0.000 -10.113) 10.372 4.931 ( -0.999 -0.000 -8.375) 8.434 5.077 ( 0.134 0.000 1.285) 1.292 5.225 ( 6.795 0.000 -6.479) 9.389 5.302 ( 13.062 0.000 -9.020) 15.873 5.336 ( -6.657 -0.000 -4.892) 8.261 5.561 ( -3.782 -0.000 4.729) 6.055 5.570 ( 8.536 0.000 -0.128) 8.537 5.689 ( -0.059 -0.000 4.562) 4.562 5.802 ( -4.687 -0.000 11.055) 12.008 5.968 ( 0.506 0.000 -6.662) 6.681 6.021 ( 7.116 0.000 -2.921) 7.693 6.049 ( 11.242 0.000 17.155) 20.510 6.058 ( -3.261 -0.000 -5.686) 6.555 6.408 ( 2.101 0.000 0.236) 2.114 6.601 ( -12.011 -0.000 -5.154) 13.070 6.608 ( 0.852 0.000 3.584) 3.684 6.728 ( -4.365 -0.000 0.054) 4.365 6.903 ( 7.330 0.000 8.333) 11.098 6.955 ( -9.380 -0.000 -4.763) 10.520 7.020 ( 1.130 0.000 -1.471) 1.855 7.203 ( -2.306 -0.000 -8.082) 8.405 7.232 ( 3.908 0.000 -1.879) 4.336 7.453 ( 3.518 0.000 -0.627) 3.573 7.762 ( -2.198 -0.000 0.150) 2.203 8.139 ( -12.185 -0.000 -4.498) 12.988 8.148 ( 2.991 0.000 5.338) 6.119 8.259 ( 4.898 0.000 0.004) 4.898 8.395 ( 1.012 0.000 1.033) 1.446 9.417 ( 0.376 0.000 0.943) 1.015 9.516 ( 0.191 0.000 -1.667) 1.678 9.839 ( 3.282 0.000 1.584) 3.644 9.981 ( 1.383 0.000 0.165) 1.393 10.300 ( -1.719 -0.000 -1.950) 2.600 10.307 ( 2.849 0.000 1.224) 3.101 10.994 ( 3.132 0.000 2.283) 3.875 11.050 ( -7.708 -0.000 -3.156) 8.329 12.387 ( -2.714 -0.000 -2.924) 3.990 12.539 ( 4.670 0.000 2.719) 5.404 13.452 ( -0.886 -0.000 0.186) 0.906 13.493 ( 0.002 0.000 0.391) 0.391 13.739 ( -9.582 -0.000 -5.947) 11.278 13.952 ( -1.408 -0.000 0.474) 1.485 14.468 ( -0.810 -0.000 0.307) 0.867 14.469 ( -1.288 -0.000 -0.349) 1.335 14.562 ( -7.765 -0.000 -2.579) 8.183 15.009 ( 1.308 0.000 11.969) 12.041 15.265 ( 1.696 0.000 0.514) 1.772 15.364 ( -0.126 -0.000 -0.377) 0.397 15.645 ( -3.608 -0.000 -1.212) 3.806 15.762 ( 0.516 0.000 2.566) 2.618 16.273 ( 4.545 0.000 2.382) 5.131 16.427 ( -0.130 -0.000 -6.306) 6.307 16.719 ( -5.336 -0.000 -2.248) 5.790 16.778 ( 12.876 0.000 7.319) 14.811 17.356 ( -1.748 -0.000 -5.940) 6.192 17.587 ( -1.767 -0.000 9.925) 10.081 19.252 ( -14.822 -0.000 -7.878) 16.786 19.689 ( 2.932 0.000 22.667) 22.856 21.149 ( -1.032 -0.000 -0.031) 1.033 21.256 ( 4.489 0.000 1.572) 4.756 25.634 ( -3.253 -0.000 -7.531) 8.203 26.749 ( -3.377 -0.000 44.080) 44.209 27.199 ( 0.554 0.000 2.354) 2.418 27.528 ( 5.106 0.000 -0.837) 5.174 28.392 ( 0.107 0.000 -0.240) 0.263 28.504 ( 1.433 0.000 -0.314) 1.467 29.104 ( -0.170 -0.000 0.471) 0.501 29.131 ( -0.199 -0.000 0.602) 0.634 31.586 ( 0.298 0.000 -0.163) 0.340 31.608 ( 0.078 0.000 0.182) 0.198 32.874 ( 1.125 0.000 -1.323) 1.737 32.973 ( -1.140 -0.000 -2.239) 2.513 33.194 ( 1.668 0.000 -7.157) 7.349 33.318 ( -2.966 -0.000 0.826) 3.079 33.530 ( 1.042 0.000 -0.328) 1.092 33.628 ( -1.091 -0.000 -1.156) 1.589 33.974 ( -7.578 -0.000 3.172) 8.215 34.384 ( 1.650 0.000 -10.465) 10.594 35.132 ( 0.966 0.000 -15.470) 15.501 35.903 ( 2.799 0.000 3.943) 4.836 ======================= Grid point 35 (24/117) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 18.050 3.980 2.737) 18.686 1.162 ( 11.702 -0.690 3.331) 12.187 1.568 ( 10.653 -18.103 -3.991) 21.381 1.683 ( -8.259 2.776 -12.841) 15.518 1.765 ( 15.546 -0.834 1.743) 15.666 1.893 ( 1.179 -8.909 5.021) 10.294 2.186 ( -0.243 -0.292 5.118) 5.132 2.372 ( -2.473 -9.069 1.042) 9.457 2.489 ( 11.913 -6.102 3.547) 13.847 2.740 ( -2.863 -3.798 -6.294) 7.889 2.778 ( -2.978 -2.029 -8.350) 9.094 2.852 ( -4.220 -10.511 6.708) 13.164 3.037 ( -4.678 -3.096 -4.734) 7.340 3.168 ( -11.283 -7.634 -3.180) 13.989 3.483 ( 2.848 0.376 10.504) 10.889 3.551 ( -4.543 1.166 5.368) 7.128 3.758 ( -0.604 8.925 -1.808) 9.126 3.910 ( 5.756 3.975 5.622) 8.974 4.035 ( 2.438 1.375 -0.994) 2.970 4.093 ( -0.799 4.901 0.219) 4.970 4.218 ( -0.563 1.189 1.909) 2.318 4.315 ( -5.934 -1.285 -4.620) 7.630 4.462 ( 0.580 1.082 0.431) 1.302 4.497 ( -4.345 -1.527 -2.229) 5.117 4.580 ( 1.624 2.781 5.251) 6.160 4.700 ( -0.580 -1.472 2.528) 2.982 4.781 ( 1.401 -0.952 -0.704) 1.835 4.815 ( -2.464 -0.233 -6.707) 7.149 4.920 ( -2.779 0.583 -6.587) 7.173 5.137 ( -1.066 -2.044 -1.444) 2.720 5.195 ( 2.199 4.692 -6.833) 8.576 5.264 ( 5.227 0.401 -5.283) 7.442 5.438 ( 4.823 -1.936 -3.585) 6.314 5.540 ( 0.043 1.586 4.481) 4.753 5.636 ( 4.418 -1.865 4.788) 6.777 5.689 ( 3.378 0.747 -2.945) 4.544 5.753 ( -3.109 2.678 10.264) 11.054 5.926 ( -2.498 4.351 -5.736) 7.620 5.979 ( -1.933 2.285 -4.297) 5.237 6.037 ( -0.434 0.222 0.278) 0.561 6.227 ( 13.793 -4.101 14.072) 20.127 6.373 ( 0.901 5.247 -1.348) 5.492 6.539 ( -1.689 5.736 -0.454) 5.997 6.550 ( -7.064 -1.073 -2.461) 7.557 6.674 ( -1.330 2.732 1.579) 3.424 6.856 ( -4.227 4.942 -0.383) 6.515 6.907 ( -3.646 2.119 -2.130) 4.724 6.990 ( 4.706 3.055 3.552) 6.640 7.088 ( 2.021 4.647 -0.388) 5.083 7.344 ( 0.421 -3.272 -3.500) 4.810 7.591 ( 0.269 -10.906 -2.363) 11.162 7.729 ( -2.427 1.628 -0.664) 2.997 8.060 ( -7.615 0.414 -4.048) 8.634 8.102 ( 2.611 7.950 4.743) 9.619 8.337 ( 2.603 -6.200 0.872) 6.781 8.402 ( 0.406 -0.314 -0.403) 0.652 9.417 ( 0.037 -0.587 -0.158) 0.609 9.554 ( -0.819 -3.233 -0.347) 3.353 9.867 ( 2.891 -0.740 1.260) 3.239 9.987 ( 0.200 0.538 0.019) 0.574 10.290 ( 0.008 0.582 -0.345) 0.677 10.307 ( 1.387 1.297 0.178) 1.907 11.024 ( -6.060 -2.059 -2.429) 6.846 11.042 ( 2.365 -2.784 1.773) 4.061 12.388 ( -2.243 -1.758 -2.464) 3.767 12.574 ( 3.760 -0.668 2.261) 4.438 13.445 ( -0.576 0.406 0.102) 0.712 13.484 ( -0.027 0.909 0.220) 0.935 13.672 ( -9.217 0.409 -5.760) 10.876 13.941 ( -0.692 0.434 0.368) 0.896 14.450 ( -2.816 0.702 -1.088) 3.100 14.457 ( -2.044 0.769 -0.637) 2.275 14.515 ( -1.480 0.872 0.042) 1.719 14.950 ( 3.970 6.803 9.374) 12.244 15.255 ( 0.637 1.361 -0.313) 1.535 15.361 ( -0.546 0.530 -0.704) 1.037 15.619 ( -3.034 0.484 -1.114) 3.268 15.760 ( 0.511 0.517 2.254) 2.368 16.290 ( 3.528 0.925 1.796) 4.066 16.409 ( 1.157 1.685 -2.826) 3.487 16.614 ( -4.827 6.313 -2.658) 8.379 16.845 ( 12.185 1.728 7.324) 14.322 17.340 ( -3.026 -0.104 -5.855) 6.591 17.550 ( 0.823 2.664 5.509) 6.175 19.157 ( -12.148 0.729 -6.667) 13.876 19.647 ( 6.957 5.903 15.026) 17.579 21.127 ( -1.232 0.262 -2.035) 2.393 21.340 ( 2.164 -4.200 2.010) 5.135 25.563 ( -2.390 5.048 -5.569) 7.888 26.442 ( 5.731 26.319 24.277) 36.262 27.177 ( 0.509 2.286 -1.473) 2.767 27.524 ( 3.244 3.456 -0.246) 4.746 28.399 ( 0.117 -0.657 -0.290) 0.728 28.503 ( 1.042 0.891 -0.215) 1.388 29.110 ( -0.131 -0.570 0.192) 0.616 29.123 ( 0.268 0.460 0.101) 0.542 31.621 ( -0.228 -2.233 0.306) 2.265 31.663 ( -1.070 -5.667 0.822) 5.826 32.885 ( 0.613 -0.384 -0.513) 0.886 32.940 ( -0.663 1.112 -3.885) 4.095 33.198 ( 4.327 -1.705 -1.927) 5.035 33.365 ( -5.053 -3.492 2.089) 6.488 33.611 ( 1.220 -7.765 0.912) 7.913 33.793 ( -4.171 -12.835 0.236) 13.497 33.978 ( -3.774 -5.777 1.453) 7.052 34.421 ( -2.268 -3.359 -5.776) 7.056 35.120 ( 0.572 1.261 -9.905) 10.001 35.861 ( 1.759 5.892 2.881) 6.790 ======================= Grid point 36 (25/117) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 15.519 0.498 2.850) 15.786 1.343 ( 1.250 -13.708 2.692) 14.026 1.571 ( -7.336 2.231 -9.232) 12.001 1.741 ( -1.934 -6.943 -0.767) 7.248 2.023 ( 15.281 -8.809 7.701) 19.246 2.174 ( -3.057 -8.125 1.176) 8.760 2.251 ( 7.005 -15.522 3.301) 17.347 2.566 ( -11.089 -10.987 -4.002) 16.115 2.602 ( 1.444 -2.631 0.003) 3.001 2.768 ( 3.760 -2.458 -8.670) 9.764 2.892 ( -6.422 -4.254 -2.727) 8.172 2.993 ( 7.598 -7.427 -5.458) 11.945 3.159 ( -4.061 -11.407 5.779) 13.417 3.243 ( -2.848 -2.391 7.312) 8.203 3.524 ( 3.032 -1.341 -7.355) 8.068 3.545 ( 0.645 -1.738 9.174) 9.360 3.642 ( -0.567 3.095 -0.371) 3.169 3.844 ( 2.476 5.282 5.078) 7.734 3.959 ( 0.322 5.667 -3.519) 6.679 4.029 ( 4.862 0.862 -0.000) 4.938 4.199 ( -2.968 1.383 2.158) 3.922 4.242 ( -8.241 3.146 0.605) 8.842 4.377 ( 1.379 4.709 2.008) 5.302 4.504 ( -5.825 -3.552 -3.173) 7.524 4.631 ( 4.129 -2.470 4.447) 6.552 4.738 ( 0.313 -1.519 1.148) 1.929 4.782 ( -3.336 0.931 -4.073) 5.346 4.826 ( 1.725 -1.043 -0.653) 2.119 4.883 ( -1.985 1.285 -2.453) 3.408 5.076 ( 1.086 2.973 -4.458) 5.467 5.201 ( 0.079 -0.332 -2.032) 2.061 5.269 ( 5.081 3.788 -4.804) 7.952 5.425 ( -2.798 2.867 2.711) 4.837 5.496 ( 0.954 3.886 1.348) 4.222 5.622 ( -0.794 2.712 1.267) 3.097 5.661 ( -0.762 4.749 2.381) 5.367 5.751 ( 4.459 -0.216 -0.571) 4.501 5.806 ( -0.571 4.281 -3.789) 5.745 5.924 ( -1.838 2.803 -2.836) 4.391 6.040 ( 0.023 -0.293 3.722) 3.734 6.237 ( -1.619 4.495 1.524) 5.015 6.276 ( 3.408 6.786 -0.403) 7.604 6.454 ( 1.130 1.613 0.943) 2.183 6.505 ( 0.218 5.614 0.440) 5.636 6.668 ( 3.277 -1.425 2.027) 4.108 6.704 ( -2.735 7.202 3.082) 8.297 6.846 ( -7.971 -1.549 -5.970) 10.078 6.997 ( 7.186 1.210 5.297) 9.008 7.047 ( 2.818 1.811 1.303) 3.595 7.328 ( -2.518 4.483 -3.398) 6.163 7.665 ( -0.899 2.502 -1.706) 3.159 7.824 ( -2.287 -11.495 -1.099) 11.772 7.972 ( 2.482 4.453 2.353) 5.615 8.019 ( -3.655 0.706 -1.758) 4.117 8.370 ( 0.358 2.045 -0.835) 2.238 8.515 ( 0.672 -8.274 0.926) 8.353 9.442 ( -0.998 -2.203 -0.737) 2.528 9.620 ( -0.270 -3.935 0.639) 3.995 9.897 ( 2.204 -0.473 0.812) 2.396 9.952 ( -1.044 2.698 -0.301) 2.909 10.261 ( 2.175 3.124 1.452) 4.073 10.291 ( -0.964 0.302 -1.055) 1.461 11.043 ( -4.252 -3.143 -1.885) 5.614 11.126 ( 2.177 -4.162 1.503) 4.931 12.417 ( -1.599 -2.401 -1.739) 3.368 12.609 ( 2.503 -0.831 1.614) 3.092 13.426 ( 0.055 1.419 0.078) 1.422 13.463 ( -0.155 1.079 -0.014) 1.090 13.610 ( -7.181 0.510 -4.582) 8.534 13.927 ( 0.597 1.003 0.895) 1.470 14.393 ( -3.188 2.093 -1.257) 4.016 14.438 ( -0.918 0.664 -0.610) 1.287 14.510 ( 0.715 -0.087 0.846) 1.111 14.845 ( 5.905 7.175 7.250) 11.787 15.232 ( -1.067 0.576 -1.462) 1.899 15.336 ( -0.813 1.337 -1.005) 1.859 15.596 ( -2.141 0.086 -0.816) 2.293 15.751 ( 0.465 0.854 1.531) 1.814 16.285 ( 2.376 1.419 1.066) 2.966 16.372 ( 2.497 3.974 1.230) 4.852 16.463 ( -5.530 4.679 -4.894) 8.742 16.865 ( 9.884 3.675 6.206) 12.236 17.321 ( -3.391 -0.199 -4.478) 5.621 17.514 ( 1.903 2.225 2.102) 3.604 19.073 ( -8.140 1.127 -4.747) 9.491 19.591 ( 7.671 5.307 8.788) 12.816 21.132 ( -2.090 -1.884 -2.547) 3.795 21.416 ( 1.320 -2.520 1.504) 3.218 25.427 ( -1.454 7.139 -2.984) 7.873 25.986 ( 6.468 24.415 8.733) 26.725 27.127 ( -0.072 2.750 -1.714) 3.241 27.444 ( 1.754 6.121 0.127) 6.369 28.415 ( 0.097 -0.766 -0.242) 0.809 28.486 ( 0.514 1.211 -0.016) 1.315 29.117 ( 0.156 0.060 -0.225) 0.281 29.124 ( -0.096 -0.590 0.258) 0.651 31.670 ( -0.024 -2.792 0.303) 2.808 31.778 ( -1.005 -6.725 0.688) 6.834 32.894 ( 1.010 -0.251 -0.112) 1.046 32.939 ( -2.338 -1.530 -2.400) 3.683 33.277 ( 5.039 -2.577 -0.788) 5.714 33.391 ( -4.226 -2.213 1.901) 5.136 33.832 ( 3.101 -12.994 0.808) 13.383 33.936 ( -4.427 -7.015 1.580) 8.445 34.177 ( 0.048 -13.174 0.191) 13.175 34.472 ( -5.108 -4.802 -1.950) 7.277 35.087 ( 0.144 2.104 -5.115) 5.533 35.718 ( 0.518 9.223 1.489) 9.357 ======================= Grid point 37 (26/117) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 7.813 -5.714 0.495) 9.692 1.523 ( -6.783 -3.790 -2.970) 8.319 1.672 ( 0.950 -18.156 0.986) 18.208 1.932 ( 0.471 -11.842 -0.460) 11.861 2.204 ( 5.416 -3.547 4.552) 7.914 2.338 ( -1.477 -9.640 -0.307) 9.757 2.558 ( 1.788 -9.499 -0.229) 9.669 2.647 ( 1.580 -3.075 5.796) 6.749 2.688 ( -1.293 -4.461 3.993) 6.125 2.735 ( -5.268 -4.045 -13.080) 14.669 3.001 ( 6.190 6.204 -2.130) 9.019 3.144 ( -2.404 -11.519 -3.659) 12.323 3.225 ( 0.007 -3.920 7.627) 8.576 3.357 ( -4.604 -2.504 -1.390) 5.422 3.534 ( 0.453 2.040 1.246) 2.433 3.576 ( 2.204 -1.838 -1.198) 3.110 3.628 ( 3.032 -0.206 0.139) 3.042 3.808 ( 1.707 -2.303 -1.484) 3.228 3.868 ( 0.179 2.540 2.313) 3.440 4.025 ( -1.908 3.026 -2.854) 4.576 4.104 ( -2.227 3.484 2.907) 5.055 4.183 ( -2.380 2.091 -0.136) 3.171 4.294 ( 0.822 4.711 1.559) 5.030 4.587 ( -1.595 -2.700 -0.469) 3.171 4.689 ( 3.363 -1.022 -1.400) 3.784 4.744 ( -0.899 -0.498 1.341) 1.690 4.766 ( -0.161 -3.475 2.514) 4.292 4.826 ( -1.069 2.711 -0.799) 3.021 4.846 ( -0.404 0.363 -0.442) 0.700 5.040 ( 5.123 4.015 1.767) 6.745 5.133 ( -3.035 9.082 -4.841) 10.730 5.222 ( -0.921 -2.784 -2.112) 3.614 5.367 ( 2.096 2.946 0.008) 3.616 5.408 ( -3.587 3.168 1.892) 5.146 5.569 ( -0.112 3.371 -3.398) 4.788 5.584 ( 0.309 1.208 4.970) 5.124 5.679 ( -2.348 5.701 -4.860) 7.851 5.786 ( 6.242 4.372 3.342) 8.321 5.845 ( -3.200 2.129 -2.554) 4.615 6.053 ( -0.503 -1.567 1.822) 2.455 6.177 ( -1.500 2.047 -1.182) 2.800 6.197 ( 1.883 1.684 -0.599) 2.596 6.371 ( 2.919 8.346 0.701) 8.870 6.423 ( -0.421 2.231 2.987) 3.752 6.580 ( -2.148 1.745 -0.715) 2.859 6.710 ( 0.843 1.336 0.728) 1.739 6.880 ( -1.412 -4.553 -1.293) 4.939 6.984 ( 6.291 4.985 4.399) 9.153 7.034 ( -0.482 2.386 -0.235) 2.446 7.216 ( -3.606 0.591 -3.091) 4.786 7.604 ( -1.040 3.286 -1.389) 3.716 7.902 ( 3.028 0.755 0.887) 3.244 7.967 ( -2.813 2.815 -0.692) 4.040 8.073 ( -0.037 -9.826 1.678) 9.969 8.317 ( -0.350 3.097 -1.912) 3.656 8.654 ( 0.279 -5.622 0.654) 5.667 9.487 ( -0.915 -3.086 -0.461) 3.251 9.697 ( 0.373 -3.968 0.773) 4.060 9.872 ( -0.533 4.017 -0.486) 4.081 9.916 ( 0.720 0.410 0.362) 0.904 10.209 ( 0.960 3.195 0.603) 3.390 10.282 ( -0.339 0.136 -0.300) 0.473 11.081 ( -2.033 -2.696 -1.006) 3.523 11.218 ( 1.288 -4.046 0.854) 4.331 12.451 ( -0.905 -1.905 -0.906) 2.295 12.635 ( 1.217 -0.530 0.841) 1.571 13.394 ( 0.271 1.930 0.148) 1.955 13.443 ( -0.078 0.875 -0.107) 0.885 13.560 ( -3.981 0.844 -2.539) 4.797 13.910 ( 1.007 1.282 0.935) 1.879 14.348 ( -1.157 0.991 -0.558) 1.622 14.414 ( -0.759 1.356 -0.628) 1.676 14.521 ( 0.654 -0.513 0.711) 1.094 14.762 ( 4.011 4.944 3.777) 7.403 15.227 ( -1.193 -0.915 -1.247) 1.953 15.315 ( -0.576 0.081 -0.590) 0.828 15.590 ( -1.011 -0.588 -0.419) 1.242 15.736 ( 0.189 0.883 0.577) 1.071 16.264 ( 1.759 2.834 1.295) 3.579 16.284 ( -0.994 3.760 -0.642) 3.942 16.387 ( -1.813 1.765 -2.222) 3.367 16.835 ( 5.196 4.309 3.430) 7.571 17.303 ( -2.077 0.133 -2.182) 3.015 17.484 ( 1.096 2.038 0.617) 2.395 19.009 ( -3.913 1.456 -2.449) 4.841 19.539 ( 4.390 4.332 3.811) 7.250 21.167 ( -1.526 -2.921 -1.435) 3.594 21.455 ( 0.762 -0.912 0.751) 1.406 25.289 ( -0.677 6.155 -1.045) 6.280 25.621 ( 2.493 16.514 2.123) 16.835 27.080 ( -0.238 1.765 -0.709) 1.917 27.329 ( 0.648 6.292 0.179) 6.327 28.427 ( 0.039 -0.402 -0.130) 0.425 28.467 ( 0.169 0.929 0.062) 0.947 29.115 ( -0.005 0.052 -0.036) 0.064 29.135 ( -0.052 -0.451 0.050) 0.456 31.720 ( 0.037 -2.287 0.134) 2.291 31.897 ( -0.273 -5.827 0.212) 5.837 32.909 ( 1.125 -0.417 -0.192) 1.215 32.959 ( -2.382 -2.376 -0.551) 3.409 33.340 ( 4.184 -0.701 -0.497) 4.271 33.397 ( -3.207 -0.965 0.968) 3.486 34.028 ( -1.021 -5.999 -0.864) 6.146 34.124 ( 2.807 -12.367 2.145) 12.862 34.402 ( -1.851 -9.674 -0.531) 9.863 34.558 ( -1.774 -7.412 -0.056) 7.621 35.040 ( -0.129 2.704 -1.739) 3.218 35.544 ( -0.136 8.418 0.435) 8.431 ======================= Grid point 38 (27/117) ======================= q-point: ( 0.70 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 0.000 -6.536 0.000) 6.536 1.614 ( 0.000 -7.350 0.000) 7.350 2.018 ( 0.000 -15.467 0.000) 15.467 2.095 ( 0.000 -0.236 0.000) 0.236 2.224 ( 0.000 -1.007 0.000) 1.007 2.504 ( 0.000 -8.574 0.000) 8.574 2.591 ( -0.000 3.735 -0.000) 3.735 2.722 ( 0.000 -8.330 0.000) 8.330 2.799 ( 0.000 -4.111 0.000) 4.111 2.843 ( -0.000 6.755 -0.000) 6.755 2.987 ( 0.000 -16.333 0.000) 16.333 3.163 ( -0.000 7.970 -0.000) 7.970 3.298 ( -0.000 2.689 -0.000) 2.689 3.305 ( 0.000 -1.761 0.000) 1.761 3.462 ( -0.000 7.189 -0.000) 7.189 3.568 ( -0.000 1.426 -0.000) 1.426 3.712 ( 0.000 -5.938 0.000) 5.938 3.803 ( -0.000 6.505 -0.000) 6.505 3.940 ( 0.000 -2.536 0.000) 2.536 3.978 ( 0.000 -1.997 0.000) 1.997 4.092 ( -0.000 1.396 -0.000) 1.396 4.098 ( 0.000 -3.629 0.000) 3.629 4.273 ( 0.000 -1.978 0.000) 1.978 4.512 ( -0.000 6.113 -0.000) 6.113 4.633 ( -0.000 4.490 -0.000) 4.490 4.760 ( -0.000 2.168 -0.000) 2.168 4.809 ( 0.000 -3.551 0.000) 3.551 4.812 ( -0.000 2.076 -0.000) 2.076 4.939 ( 0.000 -5.003 0.000) 5.003 4.970 ( -0.000 5.024 -0.000) 5.024 4.997 ( 0.000 -1.154 0.000) 1.154 5.249 ( -0.000 0.974 -0.000) 0.974 5.290 ( -0.000 3.262 -0.000) 3.262 5.418 ( 0.000 -1.334 0.000) 1.334 5.510 ( -0.000 3.458 -0.000) 3.458 5.545 ( -0.000 2.494 -0.000) 2.494 5.604 ( 0.000 -1.669 0.000) 1.669 5.703 ( -0.000 5.645 -0.000) 5.645 5.822 ( 0.000 -0.101 0.000) 0.101 6.081 ( 0.000 -0.261 0.000) 0.261 6.143 ( -0.000 0.489 -0.000) 0.489 6.181 ( -0.000 1.440 -0.000) 1.440 6.240 ( -0.000 5.873 -0.000) 5.873 6.387 ( -0.000 1.279 -0.000) 1.279 6.617 ( -0.000 6.715 -0.000) 6.715 6.620 ( 0.000 -5.574 0.000) 5.574 6.919 ( -0.000 2.159 -0.000) 2.159 6.933 ( -0.000 0.812 -0.000) 0.812 7.009 ( 0.000 -1.877 0.000) 1.877 7.267 ( 0.000 -4.558 0.000) 4.558 7.531 ( -0.000 3.620 -0.000) 3.620 7.870 ( -0.000 5.209 -0.000) 5.209 7.911 ( -0.000 0.101 -0.000) 0.101 8.237 ( 0.000 -6.779 0.000) 6.779 8.256 ( -0.000 2.764 -0.000) 2.764 8.733 ( 0.000 -2.687 0.000) 2.687 9.544 ( 0.000 -3.142 0.000) 3.142 9.770 ( 0.000 -3.342 0.000) 3.342 9.790 ( -0.000 3.934 -0.000) 3.934 9.902 ( -0.000 1.316 -0.000) 1.316 10.157 ( -0.000 2.422 -0.000) 2.422 10.285 ( 0.000 -0.584 0.000) 0.584 11.114 ( 0.000 -1.313 0.000) 1.313 11.290 ( 0.000 -2.826 0.000) 2.826 12.476 ( 0.000 -1.034 0.000) 1.034 12.643 ( -0.000 0.100 -0.000) 0.100 13.360 ( -0.000 1.506 -0.000) 1.506 13.432 ( -0.000 0.216 -0.000) 0.216 13.530 ( -0.000 0.912 -0.000) 0.912 13.892 ( -0.000 0.990 -0.000) 0.990 14.340 ( 0.000 -0.379 0.000) 0.379 14.378 ( -0.000 1.943 -0.000) 1.943 14.536 ( 0.000 -0.654 0.000) 0.654 14.707 ( -0.000 2.229 -0.000) 2.229 15.249 ( 0.000 -1.517 0.000) 1.517 15.325 ( 0.000 -1.085 0.000) 1.085 15.606 ( 0.000 -1.413 0.000) 1.413 15.724 ( -0.000 0.265 -0.000) 0.265 16.202 ( -0.000 2.438 -0.000) 2.438 16.246 ( -0.000 1.548 -0.000) 1.548 16.346 ( -0.000 2.065 -0.000) 2.065 16.778 ( -0.000 3.212 -0.000) 3.212 17.286 ( -0.000 0.974 -0.000) 0.974 17.450 ( -0.000 1.774 -0.000) 1.774 18.969 ( -0.000 1.351 -0.000) 1.351 19.486 ( -0.000 2.499 -0.000) 2.499 21.219 ( 0.000 -2.865 0.000) 2.865 21.464 ( -0.000 0.192 -0.000) 0.192 25.193 ( -0.000 3.458 -0.000) 3.458 25.392 ( -0.000 8.411 -0.000) 8.411 27.061 ( -0.000 0.163 -0.000) 0.163 27.226 ( -0.000 4.514 -0.000) 4.514 28.431 ( 0.000 -0.091 0.000) 0.091 28.454 ( -0.000 0.560 -0.000) 0.560 29.115 ( 0.000 -0.068 0.000) 0.068 29.141 ( 0.000 -0.206 0.000) 0.206 31.754 ( 0.000 -1.120 0.000) 1.120 31.986 ( 0.000 -3.355 0.000) 3.355 32.918 ( 0.000 -0.136 0.000) 0.136 33.006 ( 0.000 -3.229 0.000) 3.229 33.354 ( -0.000 0.223 -0.000) 0.223 33.391 ( -0.000 0.722 -0.000) 0.722 34.112 ( 0.000 -2.843 0.000) 2.843 34.318 ( 0.000 -6.175 0.000) 6.175 34.512 ( 0.000 -3.444 0.000) 3.444 34.739 ( 0.000 -10.806 0.000) 10.806 34.982 ( -0.000 3.168 -0.000) 3.168 35.416 ( -0.000 4.640 -0.000) 4.640 ======================= Grid point 46 (28/117) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 17.806 0.000 -1.998) 17.918 1.214 ( 14.731 0.000 4.359) 15.363 1.381 ( 6.505 0.000 -5.151) 8.298 1.643 ( -13.597 -0.000 -7.073) 15.327 1.850 ( 13.046 0.000 -1.652) 13.150 1.867 ( 3.647 0.000 1.039) 3.792 2.062 ( -11.529 -0.000 -6.240) 13.109 2.447 ( 15.465 0.000 8.127) 17.471 2.454 ( 3.528 0.000 12.262) 12.759 2.643 ( 5.349 0.000 8.491) 10.036 2.733 ( -0.495 -0.000 -0.724) 0.877 2.788 ( -12.912 -0.000 -13.886) 18.962 2.890 ( -3.174 -0.000 -2.988) 4.360 3.021 ( -11.988 -0.000 -2.326) 12.212 3.527 ( 5.594 0.000 13.321) 14.448 3.528 ( -4.079 -0.000 1.172) 4.244 3.849 ( -11.071 -0.000 -7.550) 13.401 3.973 ( 5.769 0.000 4.019) 7.031 4.075 ( 7.123 0.000 3.632) 7.996 4.133 ( 0.533 0.000 1.358) 1.459 4.244 ( -5.682 -0.000 -8.382) 10.127 4.265 ( 1.406 0.000 2.140) 2.560 4.449 ( 2.507 0.000 -2.415) 3.481 4.492 ( 1.644 0.000 0.306) 1.672 4.642 ( 0.168 0.000 0.987) 1.002 4.665 ( -8.669 -0.000 5.789) 10.424 4.775 ( 0.486 0.000 -0.042) 0.488 4.788 ( -3.925 -0.000 -7.083) 8.098 4.911 ( -0.706 -0.000 -5.040) 5.090 5.066 ( -1.468 -0.000 0.784) 1.664 5.239 ( -5.352 -0.000 -5.170) 7.441 5.333 ( 8.542 0.000 -6.011) 10.445 5.457 ( 10.871 0.000 -8.354) 13.710 5.507 ( -5.374 -0.000 4.383) 6.935 5.676 ( 3.463 0.000 8.227) 8.926 5.739 ( 10.725 0.000 -5.253) 11.942 5.765 ( -2.369 -0.000 10.512) 10.776 5.962 ( -0.856 -0.000 -2.441) 2.586 6.000 ( -2.242 -0.000 -2.136) 3.096 6.001 ( -5.750 -0.000 -1.380) 5.913 6.294 ( 17.889 0.000 13.498) 22.410 6.429 ( 1.088 0.000 0.186) 1.104 6.464 ( -8.475 -0.000 -3.988) 9.366 6.608 ( -1.449 -0.000 2.053) 2.513 6.683 ( -2.574 -0.000 0.137) 2.577 6.820 ( -10.220 -0.000 -6.969) 12.370 6.974 ( 2.924 0.000 5.112) 5.889 7.033 ( 0.911 0.000 -0.593) 1.087 7.174 ( -1.685 -0.000 -3.406) 3.800 7.282 ( 3.654 0.000 -0.069) 3.654 7.494 ( 2.761 0.000 -0.660) 2.839 7.740 ( -1.247 -0.000 0.034) 1.247 8.006 ( -7.950 -0.000 -3.215) 8.575 8.181 ( 1.736 0.000 2.911) 3.389 8.307 ( 2.757 0.000 -0.187) 2.763 8.406 ( 0.618 0.000 0.689) 0.926 9.419 ( -0.035 -0.000 0.499) 0.500 9.513 ( -0.302 -0.000 -1.092) 1.133 9.876 ( 2.247 0.000 1.077) 2.492 9.997 ( 0.978 0.000 0.110) 0.985 10.282 ( -0.839 -0.000 -1.204) 1.468 10.341 ( 2.250 0.000 0.934) 2.436 10.965 ( -5.178 -0.000 -2.028) 5.561 11.027 ( 1.829 0.000 1.457) 2.339 12.357 ( -1.684 -0.000 -1.848) 2.500 12.589 ( 2.777 0.000 1.625) 3.218 13.443 ( -0.508 -0.000 0.095) 0.517 13.494 ( 0.028 0.000 0.268) 0.270 13.619 ( -7.693 -0.000 -4.680) 9.004 13.937 ( -0.950 -0.000 -0.069) 0.952 14.442 ( -2.208 -0.000 -0.850) 2.367 14.460 ( -0.509 -0.000 -0.132) 0.526 14.513 ( -1.135 -0.000 -0.006) 1.135 15.032 ( 1.250 0.000 5.783) 5.917 15.282 ( 0.905 0.000 0.226) 0.932 15.361 ( -0.227 -0.000 -0.303) 0.379 15.610 ( -1.876 -0.000 -0.707) 2.005 15.768 ( 0.205 0.000 1.597) 1.610 16.319 ( 2.463 0.000 1.467) 2.867 16.422 ( -0.126 -0.000 -2.968) 2.970 16.662 ( -3.274 -0.000 -1.432) 3.573 16.938 ( 11.130 0.000 7.269) 13.294 17.312 ( -4.326 -0.000 -6.272) 7.619 17.574 ( -1.020 -0.000 4.505) 4.620 19.094 ( -9.080 -0.000 -4.879) 10.308 19.732 ( 1.993 0.000 10.269) 10.460 21.138 ( -0.674 -0.000 -0.032) 0.675 21.300 ( 2.413 0.000 0.876) 2.567 25.598 ( -1.744 -0.000 -4.356) 4.692 26.738 ( -1.655 -0.000 19.566) 19.636 27.206 ( 0.319 0.000 1.368) 1.405 27.577 ( 2.707 0.000 -0.643) 2.782 28.393 ( 0.069 0.000 -0.145) 0.161 28.519 ( 0.912 0.000 -0.261) 0.949 29.103 ( -0.119 -0.000 0.270) 0.295 29.130 ( -0.115 -0.000 0.222) 0.251 31.589 ( 0.188 0.000 -0.094) 0.210 31.609 ( 0.048 0.000 0.113) 0.122 32.886 ( 0.863 0.000 -0.975) 1.302 32.961 ( -0.634 -0.000 -1.175) 1.335 33.207 ( 0.875 0.000 -3.019) 3.143 33.286 ( -2.030 -0.000 0.687) 2.143 33.540 ( 0.544 0.000 -0.188) 0.576 33.616 ( -0.658 -0.000 -0.693) 0.955 33.900 ( -4.250 -0.000 1.984) 4.690 34.395 ( 0.900 0.000 -4.525) 4.614 35.133 ( 0.455 0.000 -6.883) 6.898 35.932 ( 1.466 0.000 2.332) 2.755 ======================= Grid point 47 (29/117) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 14.515 3.443 1.712) 15.015 1.256 ( 0.017 5.611 2.356) 6.085 1.563 ( -3.656 -2.857 -5.625) 7.292 1.601 ( -3.295 -6.938 -3.306) 8.362 1.942 ( 9.650 -8.236 -1.021) 12.728 1.950 ( 5.393 -7.979 0.722) 9.658 2.116 ( -7.341 -6.414 2.114) 9.975 2.364 ( 0.754 1.068 2.722) 3.020 2.603 ( 3.488 -1.484 -0.140) 3.794 2.702 ( -1.803 -2.689 -5.713) 6.566 2.800 ( -0.117 -6.091 -0.885) 6.156 2.805 ( 0.276 -10.786 6.144) 12.416 2.967 ( -4.633 -2.711 -2.164) 5.788 3.083 ( -1.577 -13.886 0.311) 13.978 3.518 ( -0.818 -0.174 -0.211) 0.862 3.563 ( 7.050 0.391 11.410) 13.418 3.697 ( -6.785 5.664 -7.237) 11.423 3.992 ( 5.558 4.131 6.821) 9.720 4.042 ( -1.571 4.092 -4.693) 6.422 4.107 ( 2.802 3.225 1.707) 4.601 4.208 ( -4.667 -0.043 -3.595) 5.892 4.238 ( -1.658 3.413 -0.064) 3.795 4.456 ( -0.229 1.012 -2.405) 2.619 4.474 ( -0.577 3.656 1.988) 4.202 4.601 ( 0.855 -2.151 3.985) 4.608 4.683 ( -1.438 -2.953 -0.802) 3.381 4.781 ( -0.910 -0.215 -1.769) 2.001 4.800 ( 0.316 -2.129 -0.426) 2.194 4.897 ( -0.590 1.049 -2.045) 2.373 5.080 ( -3.899 -0.417 -2.596) 4.703 5.202 ( 0.268 -0.219 -2.062) 2.091 5.359 ( 7.975 1.999 -4.901) 9.572 5.446 ( -3.859 1.495 3.308) 5.299 5.550 ( 1.106 -0.926 -1.606) 2.159 5.665 ( 0.768 2.234 3.786) 4.463 5.744 ( 0.353 2.141 4.354) 4.865 5.784 ( 9.361 1.748 -2.955) 9.971 5.879 ( -5.186 4.821 -0.199) 7.083 5.949 ( -1.785 1.353 -1.948) 2.968 6.023 ( -1.258 -1.613 0.507) 2.107 6.327 ( 0.002 5.548 2.309) 6.009 6.413 ( 6.630 1.390 0.161) 6.776 6.481 ( -4.654 0.332 0.140) 4.668 6.566 ( 6.630 1.625 5.820) 8.971 6.655 ( -3.287 0.167 -0.390) 3.315 6.745 ( -7.575 0.799 -6.627) 10.096 6.896 ( -0.345 8.095 0.642) 8.128 7.048 ( 2.691 -0.044 2.770) 3.862 7.101 ( 0.368 3.781 -0.324) 3.813 7.345 ( 0.103 -2.005 -1.639) 2.592 7.601 ( 0.788 -9.025 -0.522) 9.074 7.708 ( -0.822 2.223 -0.384) 2.401 7.985 ( -3.307 -1.363 -1.550) 3.898 8.128 ( 1.063 7.604 1.769) 7.879 8.364 ( 1.277 -6.108 0.417) 6.254 8.404 ( -0.003 0.621 -0.279) 0.681 9.418 ( 0.036 -0.221 -0.051) 0.230 9.545 ( -0.413 -3.185 -0.187) 3.217 9.896 ( 1.291 -0.746 0.549) 1.589 9.988 ( -0.042 1.436 -0.041) 1.438 10.282 ( -0.402 -0.252 -0.540) 0.718 10.331 ( 1.232 2.192 0.548) 2.573 10.964 ( -2.632 -2.433 -1.053) 3.735 11.066 ( 1.002 -2.896 0.774) 3.161 12.367 ( -0.860 -1.809 -0.958) 2.220 12.608 ( 1.401 -0.564 0.845) 1.730 13.440 ( -0.202 0.241 -0.018) 0.315 13.484 ( 0.044 0.951 0.153) 0.964 13.579 ( -4.200 0.182 -2.566) 4.925 13.934 ( -0.318 -0.091 0.042) 0.334 14.415 ( -1.452 1.602 -0.506) 2.221 14.448 ( -0.244 0.718 -0.152) 0.774 14.511 ( -0.016 -0.136 0.228) 0.266 14.991 ( 1.598 4.826 3.399) 6.115 15.259 ( 0.079 2.150 -0.332) 2.177 15.356 ( -0.203 0.767 -0.280) 0.841 15.593 ( -1.031 0.629 -0.416) 1.277 15.766 ( 0.167 0.392 0.855) 0.955 16.320 ( 1.194 0.995 0.621) 1.673 16.417 ( 0.392 0.457 -0.880) 1.066 16.569 ( -1.936 7.136 -1.040) 7.467 16.979 ( 6.899 2.187 4.627) 8.590 17.289 ( -3.370 -0.496 -3.999) 5.253 17.557 ( 0.087 1.376 1.749) 2.227 19.045 ( -4.623 0.390 -2.546) 5.292 19.711 ( 2.261 3.341 4.975) 6.405 21.115 ( -0.445 0.928 -0.694) 1.241 21.360 ( 0.826 -3.736 0.685) 3.886 25.540 ( -0.841 4.908 -2.042) 5.382 26.494 ( 1.458 22.329 8.068) 23.786 27.181 ( 0.200 2.518 -0.460) 2.568 27.552 ( 1.172 3.812 -0.184) 3.992 28.400 ( 0.047 -0.669 -0.106) 0.679 28.512 ( 0.406 1.042 -0.101) 1.123 29.109 ( -0.060 -0.595 0.075) 0.602 29.125 ( 0.073 0.327 0.035) 0.337 31.619 ( -0.113 -2.328 0.122) 2.334 31.656 ( -0.222 -4.898 0.202) 4.907 32.892 ( 0.398 -0.380 -0.037) 0.551 32.930 ( -0.454 1.635 -1.489) 2.258 33.248 ( 3.663 -3.245 -1.609) 5.151 33.309 ( -3.934 -2.849 1.739) 5.159 33.624 ( 0.670 -8.534 0.435) 8.572 33.754 ( -1.826 -10.564 -0.131) 10.722 33.945 ( -1.453 -7.843 0.560) 7.997 34.405 ( -0.323 -0.964 -1.943) 2.193 35.121 ( 0.194 1.326 -3.087) 3.365 35.877 ( 0.590 6.251 1.087) 6.372 ======================= Grid point 48 (30/117) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -0.000 4.199 -0.000) 4.199 1.295 ( 0.000 -13.110 0.000) 13.110 1.545 ( -0.000 1.534 -0.000) 1.534 1.718 ( 0.000 -9.382 0.000) 9.382 2.128 ( 0.000 -9.262 0.000) 9.262 2.156 ( 0.000 -4.158 0.000) 4.158 2.320 ( 0.000 -17.617 0.000) 17.617 2.467 ( 0.000 -10.427 0.000) 10.427 2.623 ( 0.000 -0.554 0.000) 0.554 2.779 ( -0.000 2.282 -0.000) 2.282 2.840 ( 0.000 -10.750 0.000) 10.750 3.083 ( 0.000 -10.565 0.000) 10.565 3.097 ( 0.000 -9.391 0.000) 9.391 3.228 ( 0.000 -2.343 0.000) 2.343 3.519 ( 0.000 -1.988 0.000) 1.988 3.598 ( -0.000 2.751 -0.000) 2.751 3.615 ( 0.000 -1.860 0.000) 1.860 3.867 ( -0.000 7.795 -0.000) 7.795 3.960 ( -0.000 4.919 -0.000) 4.919 4.117 ( -0.000 5.219 -0.000) 5.219 4.120 ( 0.000 -1.485 0.000) 1.485 4.194 ( -0.000 0.972 -0.000) 0.972 4.391 ( -0.000 4.167 -0.000) 4.167 4.459 ( 0.000 -3.154 0.000) 3.154 4.668 ( 0.000 -3.535 0.000) 3.535 4.732 ( 0.000 -0.756 0.000) 0.756 4.756 ( -0.000 1.025 -0.000) 1.025 4.843 ( 0.000 -1.088 0.000) 1.088 4.870 ( -0.000 1.517 -0.000) 1.517 5.065 ( 0.000 -0.781 0.000) 0.781 5.215 ( -0.000 0.602 -0.000) 0.602 5.297 ( -0.000 7.569 -0.000) 7.569 5.405 ( -0.000 1.491 -0.000) 1.491 5.505 ( -0.000 5.073 -0.000) 5.073 5.618 ( -0.000 2.534 -0.000) 2.534 5.657 ( -0.000 6.045 -0.000) 6.045 5.763 ( -0.000 3.549 -0.000) 3.549 5.824 ( 0.000 -0.439 0.000) 0.439 5.909 ( -0.000 3.024 -0.000) 3.024 6.035 ( 0.000 -0.156 0.000) 0.156 6.223 ( -0.000 4.004 -0.000) 4.004 6.303 ( -0.000 8.427 -0.000) 8.427 6.448 ( -0.000 0.885 -0.000) 0.885 6.523 ( -0.000 5.952 -0.000) 5.952 6.680 ( -0.000 5.965 -0.000) 5.965 6.718 ( 0.000 -0.529 0.000) 0.529 6.765 ( 0.000 -3.003 0.000) 3.003 7.055 ( -0.000 0.897 -0.000) 0.897 7.062 ( -0.000 0.462 -0.000) 0.462 7.306 ( -0.000 6.366 -0.000) 6.366 7.658 ( -0.000 2.686 -0.000) 2.686 7.812 ( 0.000 -11.470 0.000) 11.470 7.992 ( -0.000 0.216 -0.000) 0.216 7.992 ( -0.000 4.212 -0.000) 4.212 8.372 ( -0.000 2.419 -0.000) 2.419 8.520 ( 0.000 -8.221 0.000) 8.221 9.435 ( 0.000 -1.786 0.000) 1.786 9.618 ( 0.000 -4.234 0.000) 4.234 9.915 ( 0.000 -0.638 0.000) 0.638 9.942 ( -0.000 3.171 -0.000) 3.171 10.276 ( -0.000 2.619 -0.000) 2.619 10.285 ( -0.000 0.856 -0.000) 0.856 11.014 ( 0.000 -3.337 0.000) 3.337 11.141 ( 0.000 -4.265 0.000) 4.265 12.406 ( 0.000 -2.390 0.000) 2.390 12.626 ( 0.000 -0.768 0.000) 0.768 13.427 ( -0.000 1.203 -0.000) 1.203 13.463 ( -0.000 1.175 -0.000) 1.175 13.559 ( -0.000 0.438 -0.000) 0.438 13.931 ( -0.000 0.503 -0.000) 0.503 14.373 ( -0.000 1.949 -0.000) 1.949 14.432 ( -0.000 0.881 -0.000) 0.881 14.515 ( 0.000 -0.305 0.000) 0.305 14.887 ( -0.000 6.318 -0.000) 6.318 15.223 ( -0.000 1.056 -0.000) 1.056 15.330 ( -0.000 1.492 -0.000) 1.492 15.582 ( -0.000 0.070 -0.000) 0.070 15.754 ( -0.000 0.845 -0.000) 0.845 16.301 ( -0.000 1.317 -0.000) 1.317 16.406 ( -0.000 8.086 -0.000) 8.086 16.407 ( -0.000 0.959 -0.000) 0.959 16.938 ( -0.000 4.180 -0.000) 4.180 17.290 ( 0.000 -0.600 0.000) 0.600 17.526 ( -0.000 1.916 -0.000) 1.916 19.019 ( -0.000 0.878 -0.000) 0.878 19.642 ( -0.000 4.658 -0.000) 4.658 21.118 ( 0.000 -1.463 0.000) 1.463 21.425 ( 0.000 -2.541 0.000) 2.541 25.417 ( -0.000 7.059 -0.000) 7.059 26.030 ( -0.000 24.475 -0.000) 24.475 27.126 ( -0.000 2.917 -0.000) 2.917 27.456 ( -0.000 6.285 -0.000) 6.285 28.415 ( 0.000 -0.763 0.000) 0.763 28.490 ( -0.000 1.288 -0.000) 1.288 29.117 ( -0.000 0.047 -0.000) 0.047 29.124 ( 0.000 -0.523 0.000) 0.523 31.670 ( 0.000 -2.851 0.000) 2.851 31.772 ( 0.000 -6.776 0.000) 6.776 32.911 ( -0.000 0.192 -0.000) 0.192 32.912 ( 0.000 -1.531 0.000) 1.531 33.333 ( 0.000 -2.542 0.000) 2.542 33.340 ( 0.000 -2.657 0.000) 2.657 33.859 ( 0.000 -14.577 0.000) 14.577 33.902 ( 0.000 -6.705 0.000) 6.705 34.173 ( 0.000 -13.615 0.000) 13.615 34.442 ( 0.000 -3.695 0.000) 3.695 35.086 ( -0.000 2.187 -0.000) 2.187 35.722 ( -0.000 9.486 -0.000) 9.486 ======================= Grid point 59 (31/117) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 0.000 0.000 -0.000) 0.000 1.336 ( -0.000 -0.000 -0.000) 0.000 1.397 ( 0.000 0.000 0.000) 0.000 1.506 ( -0.000 -0.000 -0.000) 0.000 1.894 ( 0.000 0.000 0.000) 0.000 1.937 ( 0.000 0.000 -0.000) 0.000 1.984 ( 0.000 0.000 -0.000) 0.000 2.513 ( 0.000 0.000 -0.000) 0.000 2.518 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 -0.000) 0.000 2.719 ( -0.000 -0.000 0.000) 0.000 2.726 ( 0.000 0.000 -0.000) 0.000 2.879 ( 0.000 0.000 0.000) 0.000 2.939 ( 0.000 0.000 -0.000) 0.000 3.505 ( 0.000 0.000 -0.000) 0.000 3.598 ( -0.000 -0.000 -0.000) 0.000 3.744 ( 0.000 0.000 -0.000) 0.000 4.016 ( 0.000 0.000 -0.000) 0.000 4.109 ( 0.000 0.000 0.000) 0.000 4.156 ( 0.000 0.000 0.000) 0.000 4.182 ( -0.000 -0.000 -0.000) 0.000 4.284 ( -0.000 -0.000 -0.000) 0.000 4.502 ( 0.000 0.000 -0.000) 0.000 4.507 ( 0.000 0.000 0.000) 0.000 4.556 ( -0.000 -0.000 -0.000) 0.000 4.643 ( 0.000 0.000 0.000) 0.000 4.766 ( 0.000 0.000 0.000) 0.000 4.777 ( 0.000 0.000 -0.000) 0.000 4.907 ( 0.000 0.000 0.000) 0.000 5.055 ( 0.000 0.000 -0.000) 0.000 5.201 ( 0.000 0.000 0.000) 0.000 5.429 ( 0.000 0.000 -0.000) 0.000 5.432 ( -0.000 -0.000 0.000) 0.000 5.528 ( 0.000 0.000 -0.000) 0.000 5.694 ( 0.000 0.000 0.000) 0.000 5.754 ( -0.000 -0.000 0.000) 0.000 5.880 ( 0.000 0.000 -0.000) 0.000 5.896 ( -0.000 -0.000 0.000) 0.000 5.961 ( 0.000 0.000 0.000) 0.000 5.982 ( 0.000 0.000 -0.000) 0.000 6.407 ( 0.000 0.000 -0.000) 0.000 6.435 ( 0.000 0.000 -0.000) 0.000 6.453 ( -0.000 -0.000 0.000) 0.000 6.574 ( 0.000 0.000 0.000) 0.000 6.667 ( 0.000 0.000 0.000) 0.000 6.738 ( 0.000 0.000 0.000) 0.000 6.992 ( 0.000 0.000 -0.000) 0.000 7.039 ( 0.000 0.000 -0.000) 0.000 7.161 ( 0.000 0.000 -0.000) 0.000 7.308 ( 0.000 0.000 -0.000) 0.000 7.513 ( 0.000 0.000 0.000) 0.000 7.732 ( 0.000 0.000 0.000) 0.000 7.953 ( 0.000 0.000 -0.000) 0.000 8.193 ( 0.000 0.000 -0.000) 0.000 8.325 ( 0.000 0.000 -0.000) 0.000 8.411 ( 0.000 0.000 0.000) 0.000 9.418 ( 0.000 0.000 0.000) 0.000 9.511 ( 0.000 0.000 -0.000) 0.000 9.891 ( 0.000 0.000 0.000) 0.000 10.003 ( 0.000 0.000 -0.000) 0.000 10.277 ( 0.000 0.000 0.000) 0.000 10.357 ( 0.000 0.000 0.000) 0.000 10.930 ( 0.000 0.000 -0.000) 0.000 11.040 ( 0.000 0.000 -0.000) 0.000 12.345 ( 0.000 0.000 -0.000) 0.000 12.607 ( 0.000 0.000 -0.000) 0.000 13.440 ( 0.000 0.000 -0.000) 0.000 13.494 ( 0.000 0.000 0.000) 0.000 13.566 ( 0.000 0.000 -0.000) 0.000 13.930 ( 0.000 0.000 -0.000) 0.000 14.427 ( 0.000 0.000 -0.000) 0.000 14.456 ( 0.000 0.000 -0.000) 0.000 14.508 ( 0.000 0.000 0.000) 0.000 15.043 ( 0.000 0.000 0.000) 0.000 15.287 ( 0.000 0.000 0.000) 0.000 15.360 ( 0.000 0.000 -0.000) 0.000 15.598 ( 0.000 0.000 0.000) 0.000 15.769 ( 0.000 0.000 -0.000) 0.000 16.335 ( 0.000 0.000 -0.000) 0.000 16.420 ( 0.000 0.000 0.000) 0.000 16.641 ( 0.000 0.000 0.000) 0.000 17.025 ( 0.000 0.000 0.000) 0.000 17.270 ( -0.000 -0.000 -0.000) 0.000 17.569 ( 0.000 0.000 -0.000) 0.000 19.033 ( 0.000 0.000 0.000) 0.000 19.749 ( 0.000 0.000 0.000) 0.000 21.134 ( 0.000 0.000 0.000) 0.000 21.316 ( 0.000 0.000 -0.000) 0.000 25.586 ( 0.000 0.000 0.000) 0.000 26.734 ( 0.000 0.000 0.000) 0.000 27.209 ( 0.000 0.000 0.000) 0.000 27.594 ( 0.000 0.000 -0.000) 0.000 28.393 ( 0.000 0.000 -0.000) 0.000 28.525 ( 0.000 0.000 0.000) 0.000 29.102 ( 0.000 0.000 -0.000) 0.000 29.129 ( 0.000 0.000 0.000) 0.000 31.591 ( 0.000 0.000 -0.000) 0.000 31.610 ( 0.000 0.000 0.000) 0.000 32.891 ( 0.000 0.000 -0.000) 0.000 32.957 ( 0.000 0.000 0.000) 0.000 33.212 ( 0.000 0.000 -0.000) 0.000 33.273 ( 0.000 0.000 0.000) 0.000 33.543 ( 0.000 0.000 -0.000) 0.000 33.612 ( 0.000 0.000 0.000) 0.000 33.874 ( 0.000 0.000 -0.000) 0.000 34.399 ( 0.000 0.000 -0.000) 0.000 35.134 ( 0.000 0.000 0.000) 0.000 35.942 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 107 (32/117) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 0.818 0.000 24.445) 24.458 0.701 ( 20.298 0.000 24.811) 32.056 1.098 ( 1.697 0.000 5.678) 5.926 1.181 ( 19.418 0.000 37.871) 42.559 1.210 ( -17.493 -0.000 17.800) 24.957 1.426 ( -1.336 -0.000 15.553) 15.610 2.167 ( -15.443 -0.000 -26.100) 30.327 2.181 ( 1.824 0.000 -13.941) 14.060 2.539 ( -0.913 -0.000 -20.128) 20.149 2.655 ( -3.077 -0.000 -0.189) 3.083 2.921 ( -3.508 -0.000 3.072) 4.663 3.037 ( -1.337 -0.000 4.312) 4.515 3.291 ( -16.411 -0.000 -20.673) 26.395 3.323 ( -10.443 -0.000 -5.955) 12.022 3.380 ( 14.733 0.000 10.672) 18.192 3.598 ( 2.197 0.000 -2.920) 3.655 3.847 ( 15.483 0.000 10.430) 18.668 4.069 ( 14.264 0.000 -1.570) 14.350 4.088 ( 1.295 0.000 -0.989) 1.630 4.154 ( -3.556 -0.000 -3.046) 4.682 4.267 ( 6.593 0.000 0.658) 6.626 4.308 ( -4.391 -0.000 3.141) 5.399 4.478 ( 2.409 0.000 -2.399) 3.399 4.503 ( 4.360 0.000 1.102) 4.498 4.577 ( -11.979 -0.000 -5.668) 13.252 4.642 ( -7.226 -0.000 6.104) 9.459 4.707 ( -1.196 -0.000 0.675) 1.374 4.721 ( -5.212 -0.000 -2.547) 5.801 4.887 ( 4.482 0.000 9.889) 10.857 4.995 ( -2.043 -0.000 -9.511) 9.728 5.069 ( -4.489 -0.000 -2.804) 5.293 5.105 ( -5.806 -0.000 4.343) 7.251 5.297 ( 4.107 0.000 -8.012) 9.003 5.526 ( -0.695 -0.000 0.432) 0.818 5.579 ( 11.002 0.000 5.371) 12.243 5.609 ( -1.658 -0.000 5.806) 6.038 5.731 ( 1.162 0.000 -2.801) 3.032 5.909 ( 7.087 0.000 -3.490) 7.900 5.968 ( -10.144 -0.000 3.255) 10.654 6.099 ( 0.386 0.000 0.820) 0.906 6.468 ( 0.976 0.000 5.254) 5.344 6.568 ( 11.951 0.000 8.970) 14.943 6.649 ( 0.208 0.000 0.277) 0.346 6.704 ( 2.367 0.000 -3.788) 4.467 6.745 ( -19.071 -0.000 0.658) 19.083 6.937 ( -6.221 -0.000 -5.470) 8.284 6.980 ( 4.922 0.000 4.292) 6.531 7.034 ( -21.529 -0.000 -2.518) 21.675 7.075 ( -2.297 -0.000 -3.947) 4.567 7.150 ( -1.154 -0.000 -2.025) 2.331 7.423 ( -0.452 -0.000 3.557) 3.586 7.681 ( -0.173 -0.000 -7.807) 7.808 8.168 ( -0.639 -0.000 5.322) 5.360 8.341 ( 0.877 0.000 -2.121) 2.296 8.385 ( -1.686 -0.000 2.235) 2.799 8.472 ( -3.487 -0.000 -1.050) 3.642 9.387 ( 0.236 0.000 0.420) 0.482 9.455 ( -1.162 -0.000 -1.792) 2.135 9.803 ( 0.840 0.000 3.217) 3.325 9.936 ( -0.017 -0.000 -1.603) 1.603 10.257 ( 2.162 0.000 1.317) 2.532 10.343 ( -2.032 -0.000 -1.819) 2.727 10.946 ( 2.094 0.000 4.210) 4.702 11.170 ( -1.456 -0.000 -3.808) 4.077 12.407 ( 3.157 0.000 0.779) 3.252 12.454 ( -2.944 -0.000 -0.924) 3.086 13.478 ( 0.153 0.000 -0.027) 0.156 13.488 ( 0.447 0.000 -0.430) 0.621 13.802 ( 17.302 0.000 2.053) 17.423 13.887 ( -2.429 -0.000 -0.953) 2.609 14.483 ( 0.526 0.000 0.475) 0.708 14.513 ( 1.138 0.000 -0.597) 1.286 14.961 ( -8.534 -0.000 -0.319) 8.540 15.001 ( 31.275 0.000 -1.758) 31.324 15.242 ( 1.335 0.000 2.523) 2.854 15.346 ( -0.160 -0.000 -1.316) 1.325 15.759 ( 3.858 0.000 1.528) 4.149 15.770 ( -0.089 -0.000 1.704) 1.707 16.134 ( -8.815 -0.000 -0.190) 8.817 16.170 ( -2.910 -0.000 -1.913) 3.483 16.454 ( 9.009 0.000 4.770) 10.194 16.785 ( -6.321 -0.000 -6.978) 9.415 17.374 ( -4.395 -0.000 2.166) 4.899 17.485 ( 23.817 0.000 -1.728) 23.879 19.537 ( 50.675 0.000 3.021) 50.765 19.671 ( -10.214 -0.000 -1.743) 10.361 21.106 ( 2.629 0.000 0.791) 2.745 21.162 ( -2.920 -0.000 -1.155) 3.140 25.806 ( -12.231 -0.000 4.270) 12.955 26.098 ( 86.748 0.000 -6.437) 86.987 27.223 ( 1.296 0.000 3.328) 3.572 27.342 ( 0.220 0.000 -1.266) 1.285 28.401 ( 0.031 0.000 1.003) 1.003 28.457 ( -0.001 -0.000 -0.926) 0.926 29.089 ( -1.045 -0.000 0.435) 1.132 29.106 ( 0.562 0.000 -0.156) 0.583 31.582 ( -0.211 -0.000 0.329) 0.391 31.602 ( 0.183 0.000 -0.355) 0.400 32.875 ( -1.002 -0.000 2.087) 2.315 32.994 ( 0.423 0.000 -1.988) 2.032 33.393 ( 0.402 0.000 -0.245) 0.470 33.437 ( -1.069 -0.000 -1.755) 2.054 33.515 ( -0.349 -0.000 2.033) 2.063 33.626 ( -1.313 -0.000 -2.523) 2.844 34.089 ( -28.127 -0.000 3.025) 28.290 34.193 ( 3.681 0.000 -1.119) 3.847 35.671 ( -39.872 -0.000 2.067) 39.926 35.780 ( 5.917 0.000 -1.754) 6.172 ======================= Grid point 108 (33/117) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 1.516 -1.539 12.207) 12.397 1.040 ( 2.710 -14.960 17.530) 23.204 1.167 ( 2.732 -19.749 22.332) 29.937 1.256 ( 7.821 -10.121 0.076) 12.791 1.572 ( 10.765 -20.993 19.109) 30.360 1.691 ( 10.208 -18.839 21.826) 30.586 2.111 ( -0.977 -2.052 -21.051) 21.173 2.164 ( -7.716 0.747 -15.639) 17.455 2.539 ( -3.272 -0.134 -14.434) 14.801 2.653 ( -1.057 -2.726 -1.213) 3.165 2.968 ( -1.674 -3.576 1.360) 4.176 3.003 ( -4.557 -2.196 0.332) 5.070 3.189 ( -13.051 -0.563 -14.121) 19.237 3.293 ( -1.994 -0.839 -5.326) 5.749 3.422 ( 8.460 3.290 6.626) 11.238 3.606 ( 1.652 0.440 -5.859) 6.104 3.857 ( 10.764 5.388 8.856) 14.944 3.973 ( -5.036 5.883 -3.777) 8.615 4.070 ( -11.493 9.389 -2.576) 15.062 4.147 ( 12.890 9.324 1.168) 15.951 4.264 ( 2.542 -6.544 -0.620) 7.047 4.338 ( -2.534 -5.909 -0.110) 6.431 4.441 ( 1.590 -0.060 -2.454) 2.925 4.514 ( -3.602 -0.095 0.274) 3.613 4.639 ( -2.247 -1.420 -0.763) 2.765 4.686 ( -1.883 -4.221 3.337) 5.701 4.731 ( 0.270 -7.466 -2.705) 7.946 4.782 ( -3.189 -1.265 -0.849) 3.535 4.904 ( 1.345 0.035 -5.683) 5.840 4.985 ( 2.695 -1.367 3.804) 4.859 5.069 ( -2.896 0.091 2.678) 3.945 5.101 ( -4.335 -3.983 -1.748) 6.141 5.320 ( 3.627 0.280 -6.695) 7.620 5.493 ( -0.352 1.935 1.899) 2.734 5.521 ( -0.191 3.482 8.462) 9.153 5.667 ( 4.848 4.420 -1.293) 6.687 5.725 ( 8.480 -1.538 -1.958) 8.838 5.899 ( -4.583 -0.209 -0.583) 4.625 5.964 ( 1.380 0.229 -1.997) 2.438 6.064 ( 1.152 2.530 1.527) 3.171 6.357 ( -3.749 7.989 11.763) 14.705 6.533 ( -9.695 1.808 9.803) 13.905 6.557 ( 7.256 9.855 2.223) 12.438 6.631 ( 1.467 6.602 5.407) 8.659 6.677 ( -2.192 4.087 -4.924) 6.764 6.808 ( -0.968 1.898 -2.687) 3.429 6.943 ( 2.641 2.205 2.172) 4.069 6.986 ( 2.021 0.670 3.196) 3.840 7.076 ( -2.521 0.123 -1.997) 3.219 7.238 ( -1.130 -4.763 -3.679) 6.123 7.620 ( -4.406 -8.332 -3.496) 10.053 7.774 ( -2.004 -10.533 -9.692) 14.453 8.106 ( 3.050 12.917 3.715) 13.782 8.191 ( -2.273 0.298 0.198) 2.301 8.381 ( 1.154 -0.125 2.210) 2.496 8.504 ( -12.595 -2.394 -4.992) 13.758 9.449 ( -2.271 -5.249 0.145) 5.721 9.519 ( 2.998 -5.143 -0.949) 6.028 9.813 ( 1.699 -0.113 3.289) 3.703 9.951 ( -0.026 -0.795 -2.739) 2.852 10.254 ( 1.411 1.404 1.754) 2.653 10.336 ( -3.164 -0.423 -3.300) 4.591 10.983 ( 2.918 -2.084 4.551) 5.794 11.170 ( -2.971 -1.436 -4.272) 5.398 12.440 ( 2.700 -1.105 0.913) 3.057 12.452 ( -1.932 -1.666 -1.170) 2.807 13.471 ( 0.761 1.387 -0.281) 1.607 13.477 ( -1.082 0.531 -0.538) 1.320 13.846 ( 10.127 3.350 1.031) 10.716 13.864 ( -4.486 0.575 -1.955) 4.927 14.486 ( 0.768 0.089 0.744) 1.072 14.510 ( -0.631 0.186 -0.294) 0.720 14.843 ( -11.448 5.046 -1.993) 12.668 14.936 ( 13.615 16.580 5.744) 22.210 15.228 ( 1.687 -0.371 0.734) 1.877 15.351 ( -0.596 0.985 -3.462) 3.648 15.762 ( -1.420 0.330 1.206) 1.892 15.790 ( 0.896 -0.627 1.014) 1.492 16.122 ( 2.385 -0.229 -0.112) 2.398 16.167 ( 1.766 -0.260 -0.609) 1.886 16.500 ( 10.984 1.788 5.511) 12.418 16.713 ( -7.337 2.788 -8.157) 11.320 17.347 ( -2.969 0.277 0.736) 3.071 17.468 ( 15.111 9.532 3.582) 18.221 19.486 ( 28.911 19.370 13.824) 37.445 19.561 ( -13.992 3.044 -5.451) 15.321 21.169 ( -4.163 -3.086 -1.516) 5.400 21.245 ( 4.765 -5.842 -3.288) 8.224 25.661 ( -10.573 6.571 -0.085) 12.448 26.034 ( 48.719 36.333 5.862) 61.057 27.194 ( 0.431 2.886 3.456) 4.523 27.367 ( 4.546 1.757 -2.968) 5.706 28.405 ( 0.044 -0.284 0.927) 0.970 28.457 ( 0.437 0.219 -0.838) 0.970 29.093 ( -0.366 -0.737 0.409) 0.919 29.117 ( 0.510 -0.631 -0.029) 0.812 31.624 ( 0.202 -2.101 0.092) 2.113 31.708 ( 2.202 -7.173 -6.106) 9.674 32.882 ( -2.104 -1.081 2.196) 3.228 33.004 ( -2.724 -1.613 0.375) 3.187 33.133 ( -4.048 2.751 11.175) 12.199 33.551 ( -1.729 -1.161 -2.723) 3.428 33.579 ( 2.448 -4.154 -1.652) 5.096 33.759 ( 4.463 -7.014 -8.003) 11.540 34.156 ( -7.733 -8.335 3.104) 11.786 34.399 ( -8.604 -22.212 -14.020) 27.640 35.380 ( -23.905 5.317 12.635) 27.556 35.765 ( 6.218 5.405 -0.464) 8.251 ======================= Grid point 109 (34/117) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -13.379 -7.747 6.748) 16.868 1.274 ( 3.722 -9.026 15.358) 18.199 1.495 ( 15.783 -12.351 7.494) 21.397 1.718 ( 8.851 -18.219 10.069) 22.620 1.870 ( -9.760 -7.877 -0.448) 12.550 2.127 ( 1.072 -7.547 -10.547) 13.014 2.212 ( 5.802 -11.513 -3.705) 13.415 2.265 ( 8.199 -20.026 4.177) 22.039 2.525 ( -1.027 -2.926 2.568) 4.027 2.725 ( -1.755 -5.712 -1.385) 6.134 2.969 ( -10.854 -6.010 -13.769) 18.534 3.094 ( -2.611 -1.265 -1.210) 3.143 3.164 ( 0.532 -1.831 3.745) 4.203 3.320 ( 1.079 -3.205 -4.328) 5.493 3.409 ( 3.191 1.175 -1.433) 3.690 3.583 ( 0.030 3.428 -5.725) 6.673 3.751 ( -1.877 8.492 1.491) 8.824 3.793 ( -3.107 6.612 0.588) 7.329 3.892 ( -3.830 3.153 -2.797) 5.695 4.119 ( 8.733 -0.306 2.471) 9.081 4.315 ( -4.502 -0.726 -0.863) 4.641 4.407 ( 0.023 1.417 -0.055) 1.418 4.431 ( 0.988 1.960 5.197) 5.641 4.570 ( 3.701 -3.366 4.622) 6.811 4.645 ( -3.107 -1.660 -6.219) 7.147 4.725 ( -2.237 2.422 -2.704) 4.264 4.743 ( 0.984 0.008 -0.931) 1.354 4.825 ( -2.615 -4.023 -3.585) 5.989 4.883 ( 0.527 1.055 -6.933) 7.032 4.995 ( -0.966 2.146 7.990) 8.330 5.077 ( 0.956 -0.480 -1.581) 1.909 5.168 ( -5.191 -5.916 2.136) 8.155 5.301 ( 1.282 2.852 -2.374) 3.926 5.481 ( 1.574 2.712 -1.740) 3.586 5.504 ( 1.402 -1.289 2.035) 2.787 5.606 ( 3.372 3.034 -2.883) 5.374 5.762 ( 8.965 4.682 0.326) 10.119 5.883 ( 1.211 4.826 -3.934) 6.343 5.910 ( -5.371 -1.599 1.443) 5.786 6.073 ( 0.407 -1.131 0.714) 1.398 6.186 ( -1.626 7.452 9.809) 12.426 6.404 ( 4.099 7.249 7.297) 11.072 6.450 ( -1.224 6.315 0.407) 6.446 6.535 ( -4.405 6.218 0.106) 7.620 6.545 ( 6.631 4.058 3.284) 8.439 6.773 ( -1.734 2.144 -0.813) 2.875 6.919 ( 0.865 2.435 2.987) 3.950 6.990 ( -0.800 -0.366 0.108) 0.887 7.044 ( 0.199 1.496 3.096) 3.445 7.294 ( -2.018 -1.944 -5.807) 6.448 7.661 ( -0.076 1.237 1.020) 1.605 7.841 ( 1.347 6.970 -4.253) 8.275 7.992 ( 0.827 -3.163 2.054) 3.861 8.154 ( -7.054 -1.432 -8.063) 10.809 8.401 ( -3.283 1.153 2.192) 4.113 8.514 ( -2.032 -6.438 -1.823) 6.993 9.530 ( -4.517 -5.170 -0.288) 6.871 9.628 ( 2.501 -3.840 0.741) 4.642 9.831 ( 3.049 -0.090 3.170) 4.399 9.945 ( -0.202 1.500 -2.752) 3.141 10.225 ( 1.058 2.395 1.977) 3.281 10.310 ( -2.861 0.879 -3.883) 4.903 11.060 ( 3.737 -3.444 4.561) 6.829 11.182 ( -4.210 -2.244 -4.071) 6.272 12.465 ( -3.122 -2.340 -1.880) 4.332 12.500 ( 4.163 -1.644 1.461) 4.708 13.434 ( 0.104 2.319 0.141) 2.325 13.460 ( -0.541 0.977 -1.194) 1.635 13.804 ( -4.054 2.108 -1.147) 4.711 13.840 ( 5.902 2.544 1.277) 6.553 14.490 ( 1.087 0.332 1.169) 1.631 14.501 ( -1.490 0.090 -0.521) 1.582 14.658 ( -12.224 5.710 -3.435) 13.922 14.723 ( 9.396 11.902 8.205) 17.241 15.251 ( 0.153 -1.032 -0.535) 1.172 15.319 ( -1.048 0.998 -3.481) 3.769 15.733 ( -4.202 0.702 0.003) 4.260 15.793 ( -0.575 0.398 0.864) 1.111 16.146 ( 4.306 0.090 0.380) 4.324 16.195 ( 5.171 0.039 0.431) 5.189 16.531 ( 11.000 2.343 5.635) 12.580 16.598 ( -7.943 3.340 -8.111) 11.834 17.332 ( -1.086 -0.040 0.023) 1.087 17.411 ( 8.321 4.235 4.138) 10.213 19.365 ( 18.219 9.549 14.279) 25.040 19.399 ( -14.541 3.785 -8.222) 17.128 21.211 ( -4.679 -3.965 -1.610) 6.341 21.345 ( 4.098 -2.414 -0.831) 4.828 25.466 ( -6.106 7.601 -2.086) 9.971 25.689 ( 20.439 21.484 7.895) 30.687 27.143 ( -0.789 2.388 2.290) 3.402 27.327 ( 3.485 4.323 -1.805) 5.839 28.413 ( -0.064 -0.457 0.480) 0.666 28.453 ( 0.622 0.387 -0.581) 0.935 29.107 ( -0.259 -0.771 0.269) 0.857 29.132 ( 0.311 -0.619 0.054) 0.695 31.678 ( 0.409 -3.082 1.032) 3.276 31.821 ( 0.750 -4.518 -4.663) 6.537 32.883 ( -3.384 -1.019 2.316) 4.225 33.055 ( -1.896 -4.899 2.143) 5.674 33.144 ( 0.820 -1.680 3.766) 4.204 33.525 ( -0.658 2.017 -3.452) 4.052 33.735 ( 3.023 -9.212 1.406) 9.797 33.904 ( 1.919 -6.782 -8.280) 10.874 34.276 ( -3.445 -8.571 6.869) 11.511 34.694 ( -5.923 -12.709 -16.591) 21.723 35.191 ( -12.121 3.911 11.688) 17.286 35.664 ( 4.977 8.260 -0.270) 9.647 ======================= Grid point 110 (35/117) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -11.309 -13.035 4.028) 17.721 1.472 ( 4.817 -9.096 6.794) 12.333 1.798 ( -4.922 0.190 -3.616) 6.111 1.833 ( 11.790 -11.641 5.904) 17.589 2.088 ( 2.959 -11.986 0.041) 12.346 2.298 ( 4.911 -2.399 -9.696) 11.131 2.416 ( 7.017 -14.468 1.860) 16.187 2.607 ( -4.267 -10.661 10.967) 15.878 2.645 ( -1.052 -6.795 -10.013) 12.147 2.902 ( 1.140 -6.724 5.621) 8.838 3.016 ( -8.639 2.151 1.165) 8.979 3.018 ( -4.007 -5.740 -6.838) 9.786 3.290 ( 1.845 -9.220 0.390) 9.411 3.361 ( 1.620 0.401 -6.054) 6.280 3.445 ( 4.177 -0.720 0.733) 4.302 3.482 ( -1.313 2.803 -4.438) 5.411 3.615 ( 2.590 7.228 3.748) 8.544 3.699 ( -0.994 1.578 -1.440) 2.356 3.891 ( -6.082 -5.547 -1.961) 8.462 4.191 ( 3.883 1.908 3.313) 5.449 4.245 ( -1.879 5.829 3.574) 7.091 4.354 ( -1.846 0.237 3.251) 3.746 4.389 ( 4.284 2.460 3.935) 6.315 4.593 ( 2.081 3.681 1.736) 4.571 4.633 ( -1.017 0.627 -0.487) 1.290 4.668 ( -0.259 2.077 -3.966) 4.485 4.750 ( -5.057 -2.013 -8.755) 10.309 4.805 ( -0.634 0.301 -5.776) 5.818 4.925 ( -3.012 -0.212 2.690) 4.043 4.969 ( 3.928 0.534 1.207) 4.143 5.079 ( 0.628 -0.357 -1.084) 1.303 5.206 ( -2.814 -0.357 1.261) 3.104 5.263 ( -1.404 3.009 -3.764) 5.019 5.395 ( 3.396 3.883 -0.165) 5.161 5.508 ( 1.631 2.070 -1.962) 3.285 5.615 ( 0.842 0.386 -4.279) 4.378 5.665 ( 4.597 6.420 1.779) 8.094 5.808 ( -2.773 1.415 5.721) 6.513 5.914 ( -4.026 -0.290 2.253) 4.623 6.085 ( -1.275 -0.274 -1.983) 2.373 6.112 ( 2.048 0.264 5.034) 5.441 6.287 ( 0.485 7.939 -2.683) 8.394 6.316 ( 0.175 5.866 -0.125) 5.870 6.393 ( 3.889 6.952 6.534) 10.303 6.589 ( 7.218 -2.037 5.719) 9.432 6.713 ( -4.244 1.773 -1.340) 4.790 6.853 ( -2.334 2.794 1.727) 4.029 6.990 ( -0.663 -0.540 -1.213) 1.485 7.044 ( 1.744 0.158 5.203) 5.490 7.277 ( -4.516 0.747 -7.806) 9.049 7.619 ( -1.049 2.041 -0.785) 2.426 7.731 ( 5.664 5.121 0.924) 7.692 8.029 ( 0.153 0.602 1.062) 1.231 8.176 ( -2.783 -2.443 -7.685) 8.530 8.354 ( -5.288 -0.502 4.299) 6.834 8.633 ( 1.211 -4.952 -1.639) 5.355 9.583 ( -4.549 -3.377 -0.311) 5.674 9.701 ( 1.768 -2.637 1.676) 3.590 9.853 ( 2.881 0.054 2.091) 3.561 9.892 ( -0.826 3.192 -2.217) 3.973 10.184 ( 0.761 2.358 1.709) 3.010 10.273 ( -1.622 1.159 -3.671) 4.178 11.155 ( 4.142 -3.524 4.253) 6.904 11.196 ( -4.573 -2.063 -3.470) 6.100 12.489 ( -3.236 -2.199 -2.391) 4.585 12.555 ( 4.118 -1.214 1.849) 4.674 13.393 ( 0.191 1.953 0.584) 2.048 13.435 ( -0.382 1.139 -1.481) 1.907 13.737 ( -6.973 1.288 -3.790) 8.040 13.833 ( 6.972 2.376 4.011) 8.387 14.459 ( -1.650 4.021 0.527) 4.378 14.470 ( -3.538 1.773 -2.394) 4.626 14.533 ( -4.724 -0.089 -1.391) 4.926 14.616 ( 8.800 5.575 7.745) 12.981 15.265 ( -1.332 -0.825 -1.048) 1.886 15.308 ( -0.980 -0.608 -2.677) 2.915 15.690 ( -4.577 0.708 -0.851) 4.709 15.772 ( -1.356 1.082 0.129) 1.739 16.170 ( 4.021 0.358 0.986) 4.156 16.219 ( 4.432 0.695 0.883) 4.573 16.477 ( -9.374 1.975 -8.411) 12.748 16.572 ( 12.226 2.265 6.806) 14.175 17.331 ( -1.216 -0.489 -0.968) 1.629 17.400 ( 5.107 1.657 2.609) 5.970 19.242 ( -13.061 3.143 -8.666) 15.987 19.333 ( 14.035 5.249 11.182) 18.697 21.253 ( -4.691 -3.418 -1.782) 6.072 21.399 ( 3.564 -0.858 0.669) 3.727 25.308 ( -3.055 5.659 -1.814) 6.682 25.463 ( 9.241 12.375 4.142) 15.990 27.099 ( -0.842 1.563 1.339) 2.223 27.257 ( 2.454 4.613 -1.122) 5.344 28.420 ( -0.042 -0.276 0.025) 0.280 28.450 ( 0.581 0.354 -0.319) 0.751 29.117 ( -0.216 -0.435 0.245) 0.544 29.142 ( 0.069 -0.270 0.037) 0.281 31.739 ( 0.510 -2.794 2.104) 3.535 31.901 ( 0.074 -3.836 -3.490) 5.187 32.887 ( -2.258 -1.225 1.347) 2.901 33.139 ( -4.934 -4.953 2.293) 7.357 33.170 ( 3.949 0.218 0.030) 3.955 33.476 ( 0.995 2.720 -1.273) 3.164 33.946 ( 3.738 -9.908 1.234) 10.661 34.037 ( -0.487 -6.785 -6.955) 9.729 34.438 ( -0.951 -9.026 5.902) 10.826 34.819 ( -5.938 -5.349 -12.248) 14.625 35.071 ( -6.084 3.041 9.695) 11.843 35.533 ( 2.941 7.542 -0.167) 8.097 ======================= Grid point 111 (36/117) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -5.753 -9.502 1.701) 11.237 1.678 ( 1.514 -8.785 3.109) 9.441 1.811 ( 1.067 -3.777 -5.017) 6.369 2.039 ( 6.442 -4.053 -0.746) 7.648 2.262 ( -3.135 -4.093 -4.490) 6.837 2.388 ( 5.508 -2.923 -3.736) 7.269 2.626 ( 3.016 -0.259 -8.302) 8.836 2.709 ( -0.766 -6.591 -3.261) 7.393 2.794 ( -4.206 -7.373 11.877) 14.598 2.889 ( 0.924 -2.740 9.998) 10.407 3.035 ( -5.372 -5.393 -5.206) 9.222 3.139 ( 1.104 -3.461 2.311) 4.305 3.296 ( -0.036 3.704 -6.912) 7.842 3.371 ( 1.256 2.519 -4.165) 5.028 3.492 ( 1.371 1.427 5.399) 5.750 3.498 ( 1.228 -2.911 1.263) 3.402 3.535 ( 1.488 -0.992 0.319) 1.817 3.742 ( -0.034 -5.176 -0.077) 5.177 3.940 ( -4.515 -1.949 -2.211) 5.392 4.044 ( 0.379 8.693 2.284) 8.997 4.118 ( 0.645 7.544 5.715) 9.486 4.339 ( 0.978 4.219 -0.323) 4.343 4.411 ( -1.103 -0.181 7.138) 7.225 4.586 ( 3.015 -2.774 0.459) 4.122 4.607 ( -2.730 0.902 -6.187) 6.823 4.663 ( -1.229 -2.054 2.316) 3.331 4.727 ( -2.345 0.971 -7.130) 7.568 4.783 ( 1.285 1.389 -4.418) 4.807 4.894 ( -2.627 0.637 -0.681) 2.787 4.981 ( 1.502 -0.111 0.945) 1.778 5.082 ( -0.761 0.918 -0.031) 1.193 5.139 ( -3.294 1.984 0.017) 3.845 5.253 ( 4.358 -2.224 -2.673) 5.575 5.374 ( 5.459 5.928 4.634) 9.296 5.452 ( -1.092 1.725 -3.515) 4.065 5.574 ( 2.159 1.364 -6.544) 7.025 5.637 ( -1.367 0.188 2.239) 2.630 5.809 ( -1.155 -2.034 10.302) 10.564 5.886 ( -5.359 -0.568 1.031) 5.487 6.062 ( -2.160 2.082 -3.141) 4.344 6.132 ( 3.546 3.081 2.681) 5.409 6.148 ( 1.275 3.578 -0.476) 3.828 6.230 ( -6.063 1.874 -4.696) 7.895 6.333 ( 12.249 4.269 9.880) 16.306 6.639 ( -2.088 1.669 -0.362) 2.698 6.687 ( 2.317 -1.903 0.579) 3.054 6.834 ( -2.372 -2.536 1.551) 3.803 7.006 ( 0.428 -1.335 -1.292) 1.906 7.034 ( -0.431 1.829 3.976) 4.397 7.245 ( -3.897 -1.099 -6.924) 8.021 7.564 ( -3.553 1.782 -3.419) 5.243 7.723 ( 8.441 1.217 3.803) 9.338 7.991 ( -1.653 2.373 -0.030) 2.893 8.152 ( 0.498 3.142 -5.463) 6.322 8.380 ( -3.435 -4.006 5.845) 7.874 8.703 ( 0.889 -1.714 -2.341) 3.034 9.609 ( -2.665 -1.987 0.516) 3.364 9.750 ( 2.286 -0.199 1.923) 2.994 9.820 ( -2.797 1.354 -2.778) 4.168 9.870 ( 2.246 0.608 1.511) 2.774 10.147 ( 0.005 1.803 0.661) 1.920 10.253 ( -0.017 0.149 -2.749) 2.753 11.197 ( -4.327 -1.030 -2.595) 5.149 11.241 ( 4.079 -2.438 3.674) 6.007 12.503 ( -3.047 -1.350 -2.508) 4.171 12.596 ( 3.429 -0.472 1.904) 3.951 13.365 ( 0.172 1.144 0.878) 1.452 13.416 ( -0.096 0.534 -1.322) 1.429 13.666 ( -8.123 0.933 -5.270) 9.727 13.842 ( 6.665 1.230 5.168) 8.523 14.388 ( -2.219 1.194 -0.329) 2.541 14.403 ( -2.520 2.543 -2.121) 4.161 14.533 ( 0.159 -0.374 0.943) 1.027 14.601 ( 6.868 2.087 5.806) 9.232 15.271 ( -1.402 -0.853 -0.887) 1.866 15.320 ( -0.930 -1.128 -2.098) 2.557 15.654 ( -3.393 0.363 -1.293) 3.649 15.741 ( -1.188 1.113 -0.570) 1.725 16.177 ( 2.084 1.012 0.490) 2.368 16.227 ( 2.404 0.589 1.047) 2.688 16.397 ( -8.010 0.390 -7.143) 10.739 16.613 ( 11.148 1.371 7.138) 13.308 17.329 ( -2.475 -0.343 -1.766) 3.060 17.407 ( 3.143 0.537 1.757) 3.641 19.115 ( -10.946 1.994 -7.694) 13.527 19.340 ( 11.403 2.707 8.517) 14.488 21.280 ( -4.066 -2.408 -1.866) 5.081 21.426 ( 2.900 0.180 1.189) 3.140 25.212 ( -1.891 2.716 -1.152) 3.504 25.328 ( 4.280 6.254 2.033) 7.846 27.077 ( -0.743 0.185 0.632) 0.993 27.191 ( 1.432 3.355 -0.614) 3.699 28.423 ( -0.013 -0.169 -0.227) 0.283 28.447 ( 0.358 0.267 -0.162) 0.475 29.121 ( -0.122 -0.149 0.288) 0.347 29.144 ( -0.068 0.003 -0.034) 0.076 31.786 ( 0.265 -1.591 2.931) 3.346 31.962 ( 0.053 -2.336 -3.171) 3.940 32.901 ( -1.021 -1.196 0.861) 1.792 33.141 ( -2.682 0.540 0.296) 2.752 33.220 ( 1.388 -1.981 -0.234) 2.430 33.442 ( 1.393 1.516 0.523) 2.124 34.117 ( -1.381 -5.154 -3.365) 6.309 34.158 ( 4.058 -5.880 -0.604) 7.170 34.589 ( 1.572 -5.887 2.404) 6.550 34.822 ( -8.751 -0.007 -7.006) 11.210 35.017 ( 0.081 0.531 6.853) 6.874 35.429 ( 1.078 4.245 0.159) 4.383 ======================= Grid point 112 (37/117) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -0.375 -0.343 0.670) 0.841 1.752 ( -2.877 -0.190 -1.295) 3.161 1.972 ( 7.385 -7.234 0.618) 10.356 2.103 ( 2.901 1.673 -5.445) 6.392 2.140 ( -10.387 6.233 -3.531) 12.618 2.437 ( 0.542 2.186 -6.820) 7.182 2.614 ( -0.078 4.725 -2.433) 5.316 2.731 ( 0.371 -0.821 -5.765) 5.835 2.908 ( 4.829 -0.328 10.383) 11.456 2.979 ( 1.550 2.310 0.211) 2.790 3.044 ( -3.552 -8.569 3.279) 9.838 3.222 ( -0.537 2.295 0.679) 2.453 3.275 ( -1.236 -5.229 -1.967) 5.721 3.341 ( -2.105 2.307 3.390) 4.609 3.394 ( 2.351 2.303 2.669) 4.238 3.538 ( 1.067 1.057 -2.006) 2.506 3.646 ( -2.281 -5.313 -1.290) 5.924 3.793 ( -0.256 0.577 1.800) 1.908 3.913 ( -2.275 -0.504 0.354) 2.356 3.994 ( 3.770 -1.758 0.586) 4.200 4.039 ( 3.051 0.687 4.174) 5.216 4.213 ( 2.972 7.488 0.769) 8.093 4.392 ( 2.138 0.408 6.338) 6.702 4.540 ( -6.387 2.028 -4.742) 8.209 4.627 ( -4.548 -0.852 -7.082) 8.459 4.735 ( -1.537 -3.915 5.179) 6.672 4.762 ( 1.233 -3.037 -5.399) 6.316 4.799 ( 2.232 -3.011 0.845) 3.842 4.843 ( -2.702 1.854 -5.036) 6.008 5.001 ( 1.712 -1.351 -2.333) 3.193 5.033 ( -4.251 1.814 0.343) 4.635 5.184 ( 5.240 -4.015 1.789) 6.839 5.253 ( 2.015 7.227 6.067) 9.649 5.315 ( 3.498 -0.386 -4.355) 5.599 5.428 ( -2.373 0.211 -2.377) 3.365 5.563 ( -0.916 0.120 -6.967) 7.028 5.642 ( 0.013 -0.168 7.470) 7.472 5.838 ( -0.720 -1.332 9.650) 9.768 5.913 ( -4.772 -5.898 -1.073) 7.662 6.003 ( 1.248 2.214 -0.370) 2.568 6.075 ( 0.706 2.312 -0.960) 2.601 6.116 ( 2.052 3.579 0.559) 4.163 6.173 ( -2.420 0.805 -2.172) 3.350 6.382 ( 9.474 -1.468 6.193) 11.414 6.590 ( -6.316 0.137 -0.848) 6.374 6.716 ( 1.795 0.629 -0.738) 2.040 6.884 ( -0.710 -2.297 0.878) 2.559 6.971 ( -0.456 4.151 3.220) 5.273 7.036 ( -0.200 -0.977 -0.967) 1.389 7.269 ( -0.356 -2.681 -5.105) 5.777 7.524 ( -4.256 -0.366 -2.701) 5.054 7.762 ( 5.055 -0.606 3.183) 6.004 7.945 ( -2.525 0.532 -1.258) 2.871 8.103 ( 2.520 2.108 -3.246) 4.619 8.437 ( -1.164 -2.869 5.648) 6.441 8.715 ( 0.868 0.694 -2.904) 3.109 9.634 ( -0.176 -1.574 1.788) 2.388 9.713 ( -0.062 3.296 -1.066) 3.465 9.824 ( -0.884 -0.989 -0.409) 1.388 9.870 ( 0.827 -0.030 0.823) 1.167 10.117 ( -0.495 1.092 -0.127) 1.206 10.264 ( 0.905 -0.967 -2.049) 2.440 11.177 ( -3.539 0.525 -1.451) 3.861 11.297 ( 3.463 -0.700 2.672) 4.430 12.501 ( -2.615 -0.360 -2.333) 3.523 12.615 ( 2.396 0.423 1.706) 2.971 13.352 ( -0.076 0.266 0.868) 0.911 13.415 ( 0.368 -0.455 -1.020) 1.176 13.602 ( -7.446 0.341 -4.637) 8.778 13.872 ( 4.780 -0.335 4.428) 6.524 14.353 ( -1.787 0.860 -1.678) 2.598 14.382 ( -1.278 -1.274 -0.390) 1.846 14.539 ( 1.433 0.284 1.524) 2.111 14.614 ( 6.263 1.146 4.677) 7.901 15.278 ( -0.828 -0.513 -0.607) 1.148 15.332 ( -0.691 -0.606 -1.916) 2.125 15.636 ( -1.382 -0.181 -1.441) 2.005 15.719 ( -0.306 0.594 -0.928) 1.144 16.163 ( 0.524 0.938 -0.125) 1.082 16.232 ( 0.761 -0.017 1.244) 1.458 16.353 ( -6.799 -0.671 -5.427) 8.726 16.664 ( 8.686 0.015 6.450) 10.819 17.310 ( -3.876 0.234 -1.920) 4.332 17.417 ( 1.237 -0.038 1.239) 1.751 19.026 ( -8.419 0.684 -5.930) 10.320 19.377 ( 9.003 0.305 6.266) 10.973 21.293 ( -3.028 -1.294 -1.923) 3.813 21.432 ( 2.272 0.857 1.349) 2.778 25.178 ( -1.874 -0.401 -0.875) 2.107 25.280 ( 2.028 0.880 1.410) 2.622 27.085 ( -0.643 -1.390 0.367) 1.575 27.153 ( 0.479 1.017 -0.417) 1.199 28.427 ( -0.028 -0.230 -0.318) 0.394 28.444 ( 0.054 0.176 -0.093) 0.206 29.123 ( 0.020 -0.050 0.340) 0.345 29.143 ( -0.061 0.104 -0.099) 0.156 31.802 ( -0.148 0.135 3.246) 3.252 31.982 ( 0.133 0.228 -3.139) 3.150 32.918 ( 0.076 -0.822 0.898) 1.220 33.119 ( -0.309 0.433 -0.605) 0.806 33.243 ( 0.094 0.069 -0.136) 0.179 33.433 ( 0.139 0.162 1.029) 1.051 34.139 ( -2.985 0.842 -3.380) 4.587 34.266 ( 5.097 -1.372 0.229) 5.284 34.674 ( 2.602 -1.195 -0.175) 2.869 34.722 ( -6.832 4.171 -2.305) 8.330 35.053 ( 2.302 -2.900 3.886) 5.367 35.392 ( -0.154 -0.028 0.407) 0.435 ======================= Grid point 113 (38/117) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 3.624 7.456 1.611) 8.446 1.670 ( -5.102 5.703 3.265) 8.320 1.890 ( -0.208 11.469 -3.225) 11.916 1.980 ( 2.788 12.169 -2.632) 12.759 2.199 ( -4.005 -7.476 0.229) 8.484 2.333 ( -5.608 3.581 -8.678) 10.936 2.514 ( 0.198 3.845 -6.082) 7.198 2.659 ( 0.873 8.174 7.166) 10.906 2.838 ( 1.224 8.791 2.169) 9.137 3.009 ( 3.492 -1.739 -0.006) 3.901 3.110 ( -1.315 0.039 1.617) 2.085 3.202 ( 6.646 8.343 1.684) 10.798 3.247 ( -6.218 -2.446 -1.832) 6.929 3.340 ( -1.311 -2.442 0.886) 2.910 3.447 ( 2.176 -4.068 -2.893) 5.445 3.485 ( -2.564 3.680 -3.091) 5.447 3.639 ( 2.227 2.248 3.835) 4.972 3.763 ( -3.806 2.162 -0.051) 4.377 3.976 ( -2.747 -3.550 -1.775) 4.827 4.042 ( -0.018 -4.114 3.263) 5.250 4.124 ( 5.739 -2.630 -2.352) 6.737 4.243 ( 7.761 -8.117 7.589) 13.554 4.356 ( -0.454 6.490 5.000) 8.205 4.478 ( -1.864 1.850 -0.689) 2.716 4.656 ( -3.067 -4.231 -6.629) 8.441 4.715 ( 2.638 0.169 0.515) 2.693 4.800 ( -1.022 -0.671 -4.614) 4.773 4.821 ( 2.278 2.618 -1.104) 3.642 4.873 ( -5.556 -5.392 -0.184) 7.745 5.023 ( -2.247 -1.231 3.608) 4.426 5.073 ( 0.463 -5.781 -3.147) 6.599 5.148 ( 1.248 3.489 -0.052) 3.705 5.271 ( 3.382 -0.399 -1.563) 3.747 5.322 ( 1.386 -0.496 -4.606) 4.836 5.440 ( -1.229 -3.571 1.333) 4.005 5.556 ( -2.659 -0.745 -2.148) 3.498 5.655 ( -1.157 -1.574 3.487) 3.998 5.850 ( -1.634 0.486 5.508) 5.766 5.960 ( -1.077 0.173 -0.468) 1.187 6.021 ( -1.304 0.901 3.116) 3.495 6.061 ( -0.742 -5.582 0.615) 5.664 6.116 ( 4.066 -2.950 0.097) 5.025 6.139 ( -1.602 1.444 -2.404) 3.230 6.503 ( 8.481 -4.070 6.857) 11.641 6.554 ( -4.461 -0.576 1.570) 4.764 6.699 ( -1.944 0.497 -2.324) 3.070 6.875 ( -0.839 2.424 0.182) 2.572 6.915 ( 3.714 2.307 1.954) 4.789 7.029 ( -1.562 0.444 -0.725) 1.778 7.322 ( 0.740 -2.716 -5.100) 5.825 7.518 ( -4.767 -1.962 -0.877) 5.229 7.827 ( 1.795 -3.833 2.569) 4.951 7.925 ( -1.984 0.790 -1.370) 2.537 8.116 ( 3.651 -1.417 -2.754) 4.788 8.468 ( -0.505 -0.523 4.372) 4.432 8.699 ( 1.893 1.384 -3.047) 3.845 9.646 ( -0.283 3.264 -1.081) 3.450 9.668 ( 2.635 -0.711 2.737) 3.865 9.807 ( -2.290 1.158 -1.024) 2.762 9.897 ( 0.400 -1.895 0.635) 2.038 10.106 ( -0.017 -0.255 -0.061) 0.263 10.293 ( 0.861 -1.435 -2.065) 2.658 11.132 ( -2.445 2.126 -0.170) 3.245 11.312 ( 2.413 1.076 1.274) 2.933 12.484 ( -1.864 0.553 -1.948) 2.752 12.610 ( 1.201 1.350 1.340) 2.250 13.355 ( -0.253 -0.713 0.559) 0.941 13.438 ( 1.039 -1.493 -0.805) 1.989 13.558 ( -5.925 -0.260 -3.108) 6.696 13.910 ( 1.698 -1.184 3.018) 3.659 14.353 ( -0.492 -1.676 -1.015) 2.020 14.407 ( -1.408 -1.833 -0.795) 2.445 14.544 ( 1.806 0.216 1.420) 2.307 14.644 ( 6.515 -0.224 4.478) 7.909 15.276 ( -0.145 0.543 -0.851) 1.019 15.334 ( -0.600 -0.179 -2.017) 2.112 15.641 ( 0.604 -0.573 -1.303) 1.546 15.716 ( 0.981 -0.048 -0.757) 1.240 16.160 ( 1.838 -0.016 0.718) 1.973 16.236 ( -1.219 -0.454 1.197) 1.767 16.327 ( -7.424 -1.250 -4.687) 8.868 16.724 ( 5.235 -1.497 4.808) 7.264 17.270 ( -4.762 0.979 -1.505) 5.089 17.423 ( -0.580 -0.325 1.103) 1.288 18.979 ( -5.283 -0.297 -3.449) 6.316 19.444 ( 6.478 -1.995 4.275) 8.014 21.290 ( -1.828 -0.039 -2.003) 2.712 21.423 ( 1.495 1.431 1.332) 2.461 25.199 ( -2.415 -2.995 -0.991) 3.973 25.322 ( 0.645 -4.324 1.874) 4.757 27.117 ( -0.654 -2.160 1.525) 2.723 27.163 ( -0.596 -2.177 -1.507) 2.714 28.432 ( -0.127 -0.357 -0.303) 0.485 28.440 ( -0.214 0.134 -0.085) 0.266 29.124 ( 0.133 0.017 0.363) 0.387 29.140 ( 0.013 0.192 -0.108) 0.221 31.781 ( -0.438 1.840 2.979) 3.529 31.952 ( 0.341 2.940 -3.207) 4.364 32.932 ( 1.274 -0.195 0.983) 1.621 33.123 ( -0.052 -0.801 0.062) 0.805 33.223 ( 0.658 2.084 -0.127) 2.189 33.433 ( -1.139 -0.459 0.519) 1.333 34.051 ( -2.536 6.222 -2.002) 7.011 34.259 ( 2.903 4.745 -2.705) 6.185 34.562 ( -3.809 7.412 3.476) 9.029 34.707 ( 5.203 1.261 -3.374) 6.329 35.148 ( 2.457 -5.268 2.744) 6.428 35.425 ( -1.032 -3.711 0.293) 3.863 ======================= Grid point 114 (39/117) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 5.527 11.084 3.497) 12.870 1.512 ( -5.007 8.021 8.941) 13.014 1.643 ( 0.494 14.761 -0.041) 14.769 1.700 ( 4.142 15.953 3.427) 16.835 2.129 ( -9.205 7.400 -3.057) 12.200 2.310 ( -5.375 -1.181 -1.696) 5.759 2.461 ( -3.251 4.116 -10.918) 12.112 2.538 ( 3.743 5.108 4.966) 8.048 2.662 ( -0.249 7.591 -1.692) 7.781 2.961 ( -4.482 7.131 3.911) 9.287 3.046 ( 2.079 4.796 -0.205) 5.231 3.111 ( 0.996 11.411 4.147) 12.182 3.226 ( 4.402 3.227 -5.011) 7.409 3.311 ( 1.629 -4.171 -1.957) 4.887 3.431 ( 1.795 0.372 -5.778) 6.061 3.578 ( 0.193 -2.689 0.049) 2.697 3.650 ( -2.745 3.978 -3.370) 5.892 3.682 ( 4.029 -3.148 3.865) 6.409 3.958 ( -4.613 -0.934 -2.165) 5.181 4.096 ( -2.066 6.407 4.208) 7.939 4.199 ( 2.213 -7.138 0.694) 7.506 4.295 ( 1.583 -3.184 5.000) 6.136 4.417 ( 2.643 0.575 0.577) 2.766 4.510 ( 6.823 -7.545 0.066) 10.173 4.621 ( -3.481 1.851 0.043) 3.943 4.740 ( 1.121 2.652 -3.059) 4.200 4.838 ( 0.194 -1.919 -4.454) 4.853 4.864 ( -0.350 -4.009 0.691) 4.083 4.912 ( -3.309 -3.712 -4.057) 6.417 5.005 ( -2.981 -0.227 3.606) 4.684 5.138 ( -2.769 -3.992 -3.293) 5.869 5.187 ( 8.649 1.150 0.753) 8.758 5.229 ( -7.028 1.291 -2.751) 7.657 5.405 ( 2.476 -6.871 -6.443) 9.739 5.524 ( -0.149 -3.447 3.617) 4.999 5.568 ( -0.990 -2.067 5.438) 5.901 5.665 ( -3.324 -0.323 -3.814) 5.070 5.789 ( -1.717 3.536 -2.483) 4.650 5.973 ( -0.021 -3.842 5.462) 6.678 6.054 ( 0.629 -0.846 1.817) 2.101 6.087 ( -0.629 -1.683 3.062) 3.550 6.126 ( -0.941 -0.942 -0.114) 1.336 6.276 ( -0.396 -9.609 -1.320) 9.707 6.528 ( -2.446 -1.941 9.091) 9.613 6.665 ( 6.299 -3.743 3.767) 8.239 6.694 ( -3.206 -2.928 -2.035) 4.795 6.842 ( 0.108 0.962 -2.483) 2.665 6.896 ( 5.696 2.311 3.188) 6.924 7.034 ( -1.359 -2.326 0.093) 2.696 7.373 ( -0.678 -2.201 -6.073) 6.495 7.549 ( -2.699 -4.125 1.930) 5.294 7.862 ( -5.111 0.273 -5.294) 7.364 7.928 ( 4.221 -1.527 5.541) 7.131 8.178 ( 2.969 -2.477 -4.442) 5.890 8.443 ( -0.293 3.159 1.649) 3.576 8.695 ( 2.629 0.247 -2.564) 3.680 9.581 ( 0.635 3.547 -0.609) 3.655 9.676 ( 4.471 3.283 2.578) 6.116 9.779 ( -3.984 -1.056 0.092) 4.122 9.934 ( -0.040 -1.726 -0.401) 1.772 10.128 ( 1.101 -1.651 0.256) 2.001 10.326 ( 0.525 -1.566 -2.264) 2.803 11.068 ( -1.241 3.193 1.179) 3.623 11.290 ( 1.117 2.247 -0.376) 2.537 12.457 ( -0.843 1.347 -1.416) 2.129 12.581 ( 0.020 2.060 0.879) 2.240 13.376 ( 0.018 -1.557 0.099) 1.561 13.482 ( 1.165 -2.192 -1.704) 3.010 13.537 ( -3.129 -0.731 -0.238) 3.222 13.932 ( -1.336 -0.848 1.627) 2.269 14.401 ( 1.269 -2.575 0.189) 2.877 14.425 ( -0.657 -0.859 -0.086) 1.085 14.562 ( 1.048 -1.236 0.026) 1.621 14.716 ( 5.644 -3.357 4.031) 7.705 15.253 ( 0.436 1.776 -1.416) 2.312 15.336 ( -0.646 -0.572 -2.231) 2.392 15.663 ( 2.146 -0.778 -0.618) 2.365 15.730 ( 2.207 -0.370 -0.131) 2.242 16.189 ( 4.851 -0.618 2.656) 5.565 16.233 ( -3.792 -0.854 0.935) 3.998 16.304 ( -8.842 -1.995 -4.844) 10.277 16.784 ( 0.620 -2.561 1.924) 3.262 17.217 ( -3.619 1.529 0.101) 3.930 17.422 ( -2.169 -0.445 1.404) 2.622 18.967 ( -1.186 -0.633 -0.012) 1.344 19.533 ( 3.614 -3.724 2.550) 5.782 21.270 ( -0.564 1.337 -2.013) 2.482 21.394 ( 0.307 2.276 0.912) 2.471 25.256 ( -2.489 -4.496 -0.726) 5.190 25.449 ( -1.238 -8.895 3.118) 9.507 27.156 ( -1.487 -2.533 2.784) 4.047 27.223 ( -1.364 -4.418 -2.583) 5.296 28.432 ( -0.431 0.284 0.366) 0.633 28.442 ( -0.257 -0.530 -0.657) 0.882 29.123 ( 0.111 0.252 0.340) 0.437 29.134 ( 0.057 0.427 -0.060) 0.435 31.732 ( -0.409 2.912 2.206) 3.676 31.878 ( 0.935 4.843 -3.457) 6.023 32.941 ( 1.910 0.514 1.249) 2.339 33.129 ( -4.628 -0.468 0.309) 4.662 33.181 ( 3.927 3.222 2.498) 5.660 33.444 ( 0.045 -1.267 -1.807) 2.207 33.883 ( -1.503 9.424 -0.763) 9.573 34.127 ( -0.697 9.000 -6.398) 11.064 34.400 ( 1.395 8.792 7.414) 11.585 34.699 ( 6.711 3.407 -6.025) 9.641 35.283 ( 1.679 -7.355 3.280) 8.227 35.513 ( -2.268 -6.339 -0.126) 6.734 ======================= Grid point 115 (40/117) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 7.867 14.271 5.710) 17.267 1.236 ( -1.237 16.643 17.641) 24.284 1.395 ( 5.473 14.759 14.573) 21.451 1.492 ( -3.442 6.488 -0.165) 7.346 1.945 ( -2.883 8.728 -5.528) 10.726 2.109 ( -5.931 17.225 6.264) 19.265 2.231 ( -7.797 20.935 -3.350) 22.589 2.494 ( -14.217 1.118 -11.275) 18.180 2.548 ( 12.279 0.559 6.802) 14.048 2.686 ( -8.645 5.815 -12.565) 16.323 2.995 ( 1.501 2.504 1.510) 3.287 3.115 ( 5.647 1.198 -0.875) 5.839 3.152 ( 1.385 0.477 1.879) 2.382 3.363 ( -0.355 1.054 0.162) 1.124 3.486 ( 7.567 -2.244 -0.268) 7.897 3.513 ( -0.294 1.545 -5.711) 5.924 3.675 ( -5.497 -2.270 -9.048) 10.827 3.757 ( 12.863 -1.525 2.626) 13.217 3.975 ( -2.494 0.993 4.026) 4.838 4.057 ( -8.214 -10.192 -4.884) 13.971 4.245 ( 10.776 4.189 3.254) 12.011 4.406 ( 0.800 -3.256 1.713) 3.765 4.441 ( -0.074 -1.305 -0.004) 1.307 4.545 ( -2.736 0.196 -1.458) 3.107 4.651 ( 2.561 -0.878 1.895) 3.304 4.735 ( 4.214 0.397 -2.196) 4.768 4.782 ( -5.886 1.519 -0.317) 6.087 4.917 ( -2.278 0.237 -4.681) 5.211 4.938 ( 0.916 0.199 -1.268) 1.577 4.984 ( -4.179 2.718 -1.490) 5.203 5.105 ( -7.024 0.001 0.964) 7.090 5.216 ( 0.929 -4.133 -1.791) 4.599 5.273 ( 2.690 -1.890 1.375) 3.564 5.508 ( 0.566 2.071 -1.301) 2.510 5.545 ( -1.538 -2.109 -0.598) 2.678 5.593 ( -2.355 0.378 5.536) 6.028 5.629 ( -4.454 -1.863 -1.374) 5.020 5.789 ( 3.638 -3.230 -5.404) 7.272 6.023 ( -1.400 0.421 -1.279) 1.943 6.098 ( -1.957 0.269 0.347) 2.005 6.131 ( 4.282 -7.502 7.272) 11.291 6.215 ( 2.472 -8.632 6.611) 11.150 6.438 ( -0.824 -7.453 0.226) 7.502 6.608 ( -1.847 -6.317 9.269) 11.368 6.710 ( -9.017 -5.575 -1.930) 10.775 6.788 ( 1.230 -4.022 0.331) 4.219 6.826 ( 4.361 0.878 0.671) 4.499 6.915 ( 5.288 -0.005 3.545) 6.366 7.087 ( -1.196 -3.192 -0.618) 3.464 7.358 ( -2.012 3.184 -4.789) 6.093 7.643 ( 0.035 -5.130 4.384) 6.748 7.861 ( -1.847 -4.537 -6.486) 8.128 7.957 ( 1.940 1.779 0.667) 2.715 8.235 ( 0.564 -2.238 -4.871) 5.390 8.357 ( 1.889 5.218 0.795) 5.606 8.708 ( 0.208 -0.051 -5.154) 5.158 9.522 ( 2.634 3.675 0.290) 4.531 9.600 ( 0.581 5.733 1.149) 5.876 9.790 ( -1.305 -1.156 2.378) 2.949 9.958 ( -0.317 -0.786 -1.817) 2.005 10.176 ( 2.307 -1.999 0.481) 3.090 10.356 ( 0.207 -1.297 -2.474) 2.801 11.002 ( -0.040 3.203 2.477) 4.049 11.245 ( -0.304 2.493 -2.006) 3.215 12.425 ( 0.410 1.699 -0.731) 1.894 12.536 ( -1.121 2.228 0.319) 2.514 13.413 ( 1.009 -1.816 -0.147) 2.083 13.509 ( -3.665 -1.308 -4.587) 6.016 13.567 ( 6.393 -1.328 5.183) 8.337 13.928 ( -2.757 -0.077 0.326) 2.777 14.433 ( 2.683 -0.212 3.154) 4.146 14.458 ( 1.558 -1.562 0.810) 2.350 14.606 ( 1.050 -2.894 -0.885) 3.204 14.837 ( 2.561 -5.974 2.701) 7.039 15.221 ( 0.862 1.693 -0.992) 2.144 15.346 ( -0.682 -0.945 -2.625) 2.872 15.696 ( 3.324 -0.820 0.425) 3.450 15.753 ( 2.821 -0.280 0.686) 2.917 16.217 ( -3.075 -0.218 1.385) 3.379 16.224 ( -2.952 -0.798 0.682) 3.133 16.311 ( -3.099 -3.630 -2.365) 5.327 16.821 ( -5.305 -2.576 -2.419) 6.375 17.183 ( 2.158 0.920 4.373) 4.963 17.414 ( -3.447 -0.489 2.103) 4.067 18.994 ( 5.321 -1.143 5.374) 7.649 19.624 ( 0.022 -4.321 1.234) 4.494 21.232 ( 0.683 2.561 -1.928) 3.278 21.336 ( -1.097 3.637 -0.468) 3.828 25.339 ( 1.333 -4.921 1.976) 5.468 25.632 ( -4.455 -11.191 4.933) 13.016 27.194 ( -2.701 -2.536 3.147) 4.862 27.298 ( -1.831 -4.246 -2.764) 5.387 28.421 ( -0.539 0.530 0.615) 0.975 28.451 ( -0.420 -0.595 -0.728) 1.029 29.115 ( -0.126 0.570 0.356) 0.684 29.123 ( 0.103 0.734 -0.056) 0.744 31.673 ( -0.135 3.040 1.137) 3.248 31.784 ( 1.939 5.708 -4.073) 7.276 32.932 ( 0.860 1.432 1.821) 2.471 33.074 ( -2.420 2.836 -1.932) 4.199 33.162 ( -0.709 0.346 8.870) 8.905 33.483 ( 3.708 -1.515 -4.843) 6.285 33.695 ( -0.502 8.884 0.290) 8.902 33.932 ( -2.149 9.546 -6.901) 11.974 34.257 ( 4.100 7.757 6.284) 10.792 34.644 ( 7.125 7.211 -10.031) 14.261 35.454 ( -0.806 -10.096 4.632) 11.137 35.630 ( -4.110 -7.708 -0.392) 8.744 ======================= Grid point 116 (41/117) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 20.253 11.847 15.745) 28.257 0.944 ( 5.577 16.881 27.316) 32.592 1.215 ( 6.778 7.625 15.030) 18.165 1.303 ( -15.731 8.650 -7.605) 19.497 1.435 ( -6.626 29.517 28.772) 41.749 1.710 ( -7.023 18.447 9.034) 21.708 2.088 ( 3.615 -4.122 -14.880) 15.858 2.355 ( -16.984 4.065 -21.228) 27.488 2.575 ( 2.925 2.747 -17.975) 18.417 2.652 ( -1.437 -2.516 3.721) 4.716 2.960 ( 0.417 2.283 2.121) 3.144 3.048 ( -3.488 0.919 -1.319) 3.840 3.220 ( 5.995 -3.067 5.370) 8.613 3.359 ( -0.708 0.172 -4.317) 4.378 3.470 ( -15.961 0.649 -13.384) 20.840 3.561 ( 6.437 -1.118 0.955) 6.603 3.697 ( 12.234 -1.845 1.894) 12.516 3.936 ( 15.041 -5.868 1.278) 16.196 4.004 ( 1.826 -4.569 0.062) 4.921 4.180 ( 1.446 0.982 -1.165) 2.101 4.226 ( -2.699 -2.739 0.159) 3.849 4.376 ( -2.882 4.367 -0.288) 5.240 4.447 ( -0.744 -1.500 -2.998) 3.434 4.570 ( -4.210 -3.694 -1.209) 5.730 4.628 ( 7.125 8.386 -0.529) 11.017 4.686 ( -4.630 0.989 0.607) 4.773 4.779 ( -1.723 1.888 3.603) 4.418 4.797 ( -2.658 4.748 -0.772) 5.496 4.898 ( -0.778 3.484 1.369) 3.823 4.971 ( -1.587 -2.895 -5.454) 6.376 5.103 ( -4.287 -1.431 -0.717) 4.576 5.215 ( -10.928 5.323 2.294) 12.370 5.274 ( 2.837 -0.702 -5.343) 6.090 5.475 ( 3.883 -1.198 -0.244) 4.070 5.536 ( -2.026 -0.359 5.673) 6.034 5.623 ( 1.393 -0.968 5.257) 5.524 5.671 ( 0.549 -3.377 -2.450) 4.208 5.861 ( 6.855 -0.381 -4.928) 8.451 6.029 ( -7.205 -0.374 2.175) 7.536 6.063 ( -1.012 -2.189 -0.797) 2.540 6.350 ( 5.143 -9.170 6.784) 12.513 6.417 ( 7.265 -7.642 7.693) 13.053 6.560 ( -0.055 -6.354 2.930) 6.997 6.679 ( 1.975 -0.874 -0.352) 2.188 6.799 ( -11.250 -4.787 3.281) 12.658 6.826 ( -5.287 -8.960 -0.868) 10.440 6.911 ( 0.757 -4.729 0.999) 4.892 6.952 ( 2.134 -1.727 3.327) 4.313 7.112 ( -3.018 -0.420 -2.460) 3.916 7.254 ( -1.067 5.156 -1.972) 5.622 7.671 ( -3.111 2.227 -2.988) 4.854 7.823 ( -4.041 12.623 -11.972) 17.861 8.056 ( 5.038 -14.119 1.372) 15.054 8.209 ( -1.238 3.413 2.356) 4.328 8.359 ( 2.197 -2.845 0.133) 3.597 8.653 ( -5.814 5.190 -10.002) 12.680 9.452 ( 1.945 5.816 0.064) 6.133 9.502 ( -0.898 3.214 0.264) 3.348 9.799 ( 0.105 -0.126 3.004) 3.008 9.955 ( -0.253 0.860 -2.746) 2.888 10.226 ( 2.966 -1.310 0.874) 3.358 10.365 ( -0.883 0.356 -2.776) 2.934 10.955 ( 1.112 2.038 3.528) 4.223 11.197 ( -1.348 1.731 -3.120) 3.814 12.402 ( 1.829 1.176 0.059) 2.175 12.487 ( -2.214 1.592 -0.339) 2.748 13.455 ( 1.982 -1.469 -0.001) 2.467 13.497 ( -2.172 0.288 -2.130) 3.056 13.661 ( 15.816 -1.436 7.082) 17.389 13.906 ( -2.378 0.430 -0.494) 2.467 14.469 ( 2.726 -0.936 1.516) 3.256 14.489 ( 3.465 -0.435 2.378) 4.225 14.718 ( 12.556 -6.480 4.882) 14.950 14.949 ( -2.156 -4.645 1.402) 5.309 15.210 ( 0.629 -0.414 1.021) 1.269 15.356 ( -0.149 -0.286 -2.627) 2.647 15.732 ( 3.713 -0.447 1.055) 3.886 15.771 ( 2.266 0.327 1.345) 2.656 16.189 ( -9.394 -1.200 -1.039) 9.527 16.202 ( -6.967 -0.292 -1.636) 7.162 16.385 ( 5.469 -2.326 2.394) 6.407 16.814 ( -8.214 -1.584 -5.634) 10.085 17.255 ( 14.453 -4.206 9.048) 17.563 17.399 ( -4.190 -0.312 2.716) 5.003 19.128 ( 21.696 -6.350 14.202) 26.697 19.686 ( -4.712 -3.165 0.246) 5.682 21.181 ( 2.101 3.720 -2.350) 4.876 21.236 ( -2.659 5.550 -2.153) 6.520 25.522 ( 24.436 -9.360 10.706) 28.273 25.788 ( -8.955 -8.271 6.220) 13.685 27.216 ( -3.234 -1.519 3.129) 4.749 27.346 ( -1.217 -1.507 -2.664) 3.294 28.408 ( -0.516 0.469 0.867) 1.112 28.457 ( -0.399 -0.270 -0.854) 0.981 29.101 ( -0.761 0.525 0.458) 1.031 29.110 ( 0.434 0.680 -0.197) 0.831 31.622 ( 0.110 2.085 0.090) 2.090 31.680 ( 2.438 6.755 -4.249) 8.344 32.899 ( -0.843 1.733 2.158) 2.893 33.015 ( 0.247 2.311 -2.264) 3.245 33.187 ( -4.585 -5.837 11.546) 13.726 33.524 ( 6.308 1.609 -4.998) 8.207 33.562 ( -0.312 3.813 -0.322) 3.840 33.748 ( -1.114 8.308 -5.402) 9.972 34.174 ( 3.414 3.411 2.063) 5.248 34.463 ( 0.119 15.186 -13.267) 20.165 35.651 ( -6.308 -11.617 2.044) 13.376 35.741 ( -9.860 -7.639 -0.518) 12.484 ======================= Grid point 118 (42/117) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 13.128 0.000 16.817) 21.335 0.890 ( 8.115 0.000 30.830) 31.880 1.098 ( -2.036 -0.000 5.863) 6.206 1.159 ( 8.514 0.000 -2.423) 8.852 1.483 ( 8.107 0.000 14.961) 17.016 1.616 ( 38.014 0.000 40.354) 55.439 2.011 ( -6.873 -0.000 -26.595) 27.469 2.173 ( -2.391 -0.000 -11.900) 12.137 2.495 ( -2.415 -0.000 -17.382) 17.549 2.625 ( -1.842 -0.000 -2.167) 2.844 2.892 ( -1.853 -0.000 6.518) 6.776 3.022 ( -2.107 -0.000 6.740) 7.061 3.030 ( -17.066 -0.000 -17.011) 24.096 3.256 ( -4.500 -0.000 -4.758) 6.549 3.580 ( 15.174 0.000 7.460) 16.909 3.600 ( 0.043 0.000 -10.850) 10.850 3.964 ( 1.145 0.000 11.992) 12.046 4.025 ( -15.812 -0.000 -5.338) 16.689 4.095 ( 0.450 0.000 -2.340) 2.383 4.229 ( 10.508 0.000 -3.897) 11.207 4.246 ( -5.410 -0.000 1.312) 5.567 4.325 ( 1.652 0.000 2.343) 2.866 4.436 ( -7.157 -0.000 -1.618) 7.337 4.507 ( -2.424 -0.000 -5.931) 6.407 4.593 ( 2.299 0.000 3.830) 4.466 4.598 ( 7.196 0.000 2.244) 7.538 4.680 ( 1.104 0.000 -4.378) 4.515 4.691 ( -0.609 -0.000 0.439) 0.751 4.949 ( 2.070 0.000 9.994) 10.207 4.981 ( 0.448 0.000 -8.683) 8.694 4.983 ( -3.684 -0.000 -0.420) 3.708 5.110 ( 2.901 0.000 1.395) 3.219 5.330 ( 0.440 0.000 -9.612) 9.622 5.522 ( -0.486 -0.000 0.600) 0.772 5.604 ( 1.519 0.000 10.078) 10.192 5.732 ( 11.823 0.000 1.261) 11.890 5.751 ( 2.322 0.000 -8.255) 8.575 5.860 ( -6.588 -0.000 3.177) 7.314 5.971 ( 3.227 0.000 -2.058) 3.827 6.128 ( 4.468 0.000 5.626) 7.185 6.394 ( -23.518 -0.000 11.350) 26.113 6.450 ( -2.313 -0.000 7.027) 7.398 6.651 ( 0.566 0.000 2.049) 2.126 6.705 ( -3.420 -0.000 -5.216) 6.238 6.791 ( 18.963 0.000 11.371) 22.111 6.818 ( -7.596 -0.000 -5.757) 9.531 6.990 ( 1.546 0.000 1.966) 2.501 7.035 ( -4.149 -0.000 -4.853) 6.385 7.064 ( 5.222 0.000 1.764) 5.512 7.121 ( -2.581 -0.000 -3.825) 4.614 7.435 ( 1.649 0.000 3.824) 4.164 7.690 ( 2.483 0.000 -7.159) 7.577 8.167 ( 0.087 0.000 4.342) 4.343 8.348 ( -1.124 -0.000 -1.942) 2.244 8.349 ( -3.110 -0.000 7.136) 7.784 8.386 ( -8.032 -0.000 -2.086) 8.299 9.405 ( 2.220 0.000 0.912) 2.400 9.452 ( 0.642 0.000 -2.114) 2.209 9.823 ( 1.900 0.000 3.239) 3.755 9.938 ( 0.482 0.000 -1.792) 1.856 10.277 ( 1.304 0.000 1.922) 2.323 10.307 ( -3.317 -0.000 -2.698) 4.276 10.983 ( 3.185 0.000 4.667) 5.651 11.132 ( -4.407 -0.000 -4.891) 6.584 12.411 ( -3.519 -0.000 -1.848) 3.975 12.459 ( 4.833 0.000 1.533) 5.070 13.475 ( -0.570 -0.000 -0.069) 0.574 13.489 ( -0.025 -0.000 -0.494) 0.494 13.837 ( -5.733 -0.000 -3.146) 6.540 13.922 ( 4.059 0.000 -2.176) 4.606 14.487 ( -0.115 -0.000 0.426) 0.442 14.504 ( -1.657 -0.000 -0.900) 1.886 14.801 ( -15.104 -0.000 -3.015) 15.402 15.187 ( 1.878 0.000 -4.859) 5.210 15.262 ( 0.808 0.000 2.304) 2.442 15.343 ( -0.129 -0.000 -1.659) 1.664 15.739 ( -4.527 -0.000 -0.162) 4.530 15.791 ( 0.855 0.000 1.825) 2.015 16.168 ( 9.656 0.000 -2.154) 9.894 16.185 ( 5.048 0.000 1.140) 5.175 16.592 ( 12.116 0.000 6.096) 13.564 16.701 ( -6.523 -0.000 -9.802) 11.774 17.328 ( -3.121 -0.000 -0.445) 3.153 17.689 ( 9.157 0.000 -6.331) 11.133 19.490 ( -17.063 -0.000 -6.930) 18.417 19.971 ( 14.096 0.000 -9.812) 17.175 21.150 ( 1.246 0.000 -2.287) 2.604 21.161 ( 5.406 0.000 1.639) 5.649 25.656 ( -10.681 -0.000 -2.133) 10.892 26.880 ( 15.069 0.000 -28.022) 31.817 27.376 ( 4.815 0.000 -1.030) 4.924 27.522 ( 46.740 0.000 -20.757) 51.142 28.418 ( 2.972 0.000 0.704) 3.054 28.462 ( 0.867 0.000 -0.881) 1.236 29.089 ( 1.386 0.000 -0.539) 1.487 29.112 ( 0.371 0.000 0.062) 0.376 31.581 ( -0.015 -0.000 0.240) 0.241 31.604 ( 0.138 0.000 -0.269) 0.302 32.864 ( -0.844 -0.000 1.607) 1.815 32.971 ( -6.414 -0.000 0.698) 6.452 33.237 ( -24.659 -0.000 15.549) 29.152 33.383 ( -1.752 -0.000 -0.384) 1.794 33.521 ( 0.864 0.000 2.150) 2.317 33.618 ( -0.123 -0.000 -2.169) 2.173 33.837 ( -3.433 -0.000 5.281) 6.299 34.198 ( -2.731 -0.000 1.043) 2.923 35.300 ( -16.320 -0.000 16.571) 23.258 35.863 ( 6.780 0.000 1.617) 6.970 ======================= Grid point 119 (43/117) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 0.970 8.648 3.009) 9.207 1.097 ( 2.776 -10.279 22.414) 24.815 1.251 ( 10.602 -30.653 12.288) 34.684 1.436 ( 11.029 -8.331 -2.004) 13.966 1.618 ( 4.536 -9.829 9.957) 14.708 1.979 ( 10.133 -9.020 7.743) 15.620 2.046 ( 9.274 -8.238 -3.100) 12.786 2.157 ( 3.544 -1.923 -9.341) 10.174 2.512 ( -0.203 -0.990 -6.134) 6.217 2.624 ( -1.916 -3.508 -3.614) 5.388 2.815 ( -14.893 3.868 -8.734) 17.693 2.997 ( 0.249 -8.107 5.301) 9.690 3.110 ( -1.280 -4.622 -1.256) 4.958 3.258 ( -3.552 -3.133 -3.196) 5.713 3.533 ( 6.192 6.846 -5.292) 10.640 3.628 ( 3.874 2.017 -4.382) 6.187 3.822 ( -15.290 7.708 -5.895) 18.110 3.934 ( -0.762 4.196 9.269) 10.203 3.991 ( -1.414 6.403 -1.646) 6.761 4.195 ( -2.550 4.316 2.594) 5.645 4.276 ( -0.582 -1.011 -1.872) 2.206 4.356 ( 1.770 -3.344 -3.182) 4.944 4.481 ( -2.003 -3.654 -1.568) 4.452 4.498 ( 8.331 -0.052 5.128) 9.782 4.593 ( -6.875 -1.062 -6.309) 9.391 4.665 ( 2.237 -6.477 0.468) 6.868 4.705 ( -3.126 -3.261 -1.598) 4.792 4.793 ( 3.510 -0.214 2.848) 4.525 4.930 ( 3.914 1.855 -4.862) 6.511 4.948 ( -6.098 -2.159 5.019) 8.188 5.091 ( 4.386 -3.239 0.412) 5.468 5.105 ( 2.677 1.707 0.597) 3.231 5.324 ( -2.134 -0.404 -7.043) 7.371 5.498 ( 1.631 0.796 3.077) 3.573 5.559 ( 4.124 4.092 2.300) 6.249 5.721 ( 4.742 4.246 -6.468) 9.075 5.818 ( -4.524 0.453 3.200) 5.560 5.843 ( 6.575 -2.729 -2.301) 7.482 6.007 ( 4.083 -0.443 -2.126) 4.625 6.086 ( 1.067 5.406 7.189) 9.058 6.284 ( -6.610 2.420 8.765) 11.242 6.436 ( -2.963 0.169 7.693) 8.246 6.573 ( -2.368 7.592 -1.267) 8.053 6.638 ( -2.690 3.861 -2.204) 5.196 6.710 ( -0.690 5.926 -1.770) 6.223 6.853 ( 11.013 4.823 8.515) 14.732 6.967 ( -0.771 2.084 -1.272) 2.560 6.981 ( -2.442 1.140 -0.682) 2.780 7.064 ( 1.615 0.151 3.562) 3.914 7.225 ( -0.235 -4.840 -5.241) 7.138 7.577 ( -1.707 -10.907 -0.820) 11.070 7.758 ( -0.199 -4.665 -4.654) 6.592 8.111 ( -4.569 4.886 -3.409) 7.508 8.169 ( 0.764 10.564 4.635) 11.561 8.382 ( -2.263 -6.420 3.347) 7.586 8.398 ( -2.924 0.029 -0.511) 2.969 9.424 ( -1.316 -2.648 -0.022) 2.957 9.547 ( 1.272 -5.726 -0.874) 5.931 9.842 ( 2.487 -0.471 3.055) 3.967 9.953 ( 0.547 -0.582 -2.505) 2.629 10.271 ( 1.090 1.486 1.376) 2.300 10.291 ( -3.079 -0.422 -2.970) 4.299 11.028 ( 3.405 -2.292 4.490) 6.083 11.114 ( -5.324 -1.529 -4.437) 7.097 12.405 ( -3.237 -1.581 -1.981) 4.111 12.502 ( 4.798 -1.095 1.483) 5.140 13.464 ( -1.117 0.869 -0.500) 1.501 13.477 ( 0.237 1.032 -0.386) 1.127 13.784 ( -7.827 0.875 -4.387) 9.015 13.922 ( 2.997 1.600 -0.689) 3.466 14.483 ( -1.693 0.078 -0.452) 1.754 14.496 ( -0.714 -0.364 -0.050) 0.803 14.672 ( -12.857 3.591 -2.657) 13.610 15.042 ( 3.197 13.156 3.582) 14.004 15.245 ( 1.042 0.394 1.182) 1.624 15.338 ( -0.882 1.170 -3.228) 3.545 15.708 ( -5.506 0.149 -0.797) 5.566 15.794 ( -0.293 0.113 1.203) 1.243 16.200 ( 7.353 1.306 0.703) 7.501 16.238 ( 7.855 -0.136 0.150) 7.858 16.607 ( -5.666 4.049 -8.157) 10.726 16.662 ( 11.307 1.560 4.653) 12.326 17.313 ( -2.543 -0.353 -1.685) 3.071 17.611 ( 7.189 9.324 0.885) 11.807 19.356 ( -16.711 2.165 -8.551) 18.896 19.759 ( 12.138 18.399 7.505) 23.285 21.128 ( -1.673 -1.102 -1.086) 2.279 21.302 ( 4.069 -5.133 -1.033) 6.631 25.547 ( -6.872 4.863 -3.452) 9.099 26.498 ( 19.934 41.333 -6.773) 46.386 27.258 ( 9.056 11.840 6.952) 16.447 27.444 ( 7.232 6.466 -1.162) 9.771 28.411 ( 0.823 0.526 1.524) 1.810 28.465 ( 1.020 0.321 -0.743) 1.302 29.095 ( 0.571 -0.227 -0.202) 0.647 29.122 ( 0.329 -0.575 0.145) 0.678 31.627 ( 0.243 -2.232 0.132) 2.249 31.716 ( -0.496 -7.313 -4.962) 8.851 32.851 ( -2.856 -0.044 1.982) 3.477 32.947 ( -5.311 -3.750 4.621) 7.976 33.122 ( 1.161 -1.298 4.676) 4.990 33.508 ( -4.433 -2.060 -2.444) 5.465 33.598 ( 1.084 -6.440 0.676) 6.565 33.836 ( 7.093 -5.341 -13.379) 16.057 34.000 ( -13.480 -20.751 2.277) 24.849 34.282 ( -8.107 -14.660 -5.127) 17.520 35.208 ( -5.876 2.919 14.963) 16.338 35.842 ( 5.302 6.102 1.739) 8.269 ======================= Grid point 120 (44/117) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -0.077 -3.348 2.938) 4.455 1.339 ( 4.765 -9.963 11.253) 15.767 1.655 ( 2.726 -11.007 2.021) 11.518 1.734 ( -2.562 -6.070 4.067) 7.742 1.875 ( 11.178 -16.716 10.925) 22.885 2.114 ( -0.112 -14.731 -8.181) 16.851 2.259 ( 6.256 -6.031 -16.374) 18.537 2.391 ( 2.291 -9.596 8.277) 12.878 2.559 ( 4.011 -0.961 0.168) 4.128 2.691 ( -3.044 -12.397 0.230) 12.767 2.818 ( -4.355 -7.261 -3.002) 8.984 3.097 ( -0.497 1.074 3.672) 3.858 3.157 ( -1.151 -3.145 -1.084) 3.520 3.336 ( -0.125 -4.863 -1.141) 4.996 3.447 ( 1.786 1.434 -6.087) 6.504 3.588 ( 3.069 6.824 -1.895) 7.719 3.659 ( -5.860 -1.851 -6.077) 8.643 3.801 ( -1.961 7.359 1.729) 7.809 3.870 ( 0.429 6.585 0.129) 6.600 4.160 ( -1.375 -2.328 5.454) 6.087 4.279 ( -1.466 0.082 -0.707) 1.630 4.404 ( -0.755 -0.176 -0.043) 0.777 4.446 ( -0.603 3.690 1.612) 4.071 4.566 ( -8.235 -4.199 -9.356) 13.152 4.617 ( 4.851 -1.703 7.915) 9.439 4.698 ( -0.266 0.608 -4.557) 4.605 4.770 ( 3.224 3.687 3.137) 5.817 4.798 ( -2.281 -2.554 -3.901) 5.191 4.930 ( 6.039 1.578 1.254) 6.367 4.978 ( -4.961 -4.260 3.838) 7.582 5.046 ( 1.186 2.023 0.479) 2.394 5.173 ( 1.107 -3.010 -2.213) 3.896 5.296 ( 0.175 2.756 -3.669) 4.592 5.505 ( 1.466 4.004 -1.564) 4.542 5.535 ( 2.654 -0.520 -3.308) 4.273 5.652 ( 4.367 4.228 -2.792) 6.689 5.787 ( -3.525 0.925 2.245) 4.280 5.885 ( 0.167 3.636 0.044) 3.640 5.926 ( 4.834 6.349 4.811) 9.318 6.071 ( 0.215 -1.215 -0.470) 1.320 6.171 ( -0.788 5.108 5.297) 7.401 6.372 ( -8.963 7.482 -6.500) 13.363 6.441 ( 3.182 2.551 5.146) 6.566 6.541 ( 1.973 5.300 5.421) 7.834 6.629 ( 2.245 2.109 -0.330) 3.098 6.784 ( 4.736 6.728 4.899) 9.576 6.908 ( -3.575 2.461 -2.110) 4.826 6.959 ( -1.402 -0.119 0.949) 1.697 7.070 ( 2.205 0.639 5.412) 5.879 7.267 ( -1.591 0.096 -6.009) 6.217 7.662 ( 0.195 2.089 0.691) 2.209 7.850 ( 0.063 -1.600 -3.485) 3.836 7.995 ( -1.118 -0.663 2.014) 2.397 8.062 ( -4.906 -0.177 -3.863) 6.247 8.359 ( -2.023 1.909 0.024) 2.781 8.528 ( 1.760 -7.188 2.720) 7.884 9.479 ( -3.255 -4.155 -0.276) 5.285 9.642 ( -0.205 -4.014 0.079) 4.020 9.869 ( 2.629 -0.375 2.407) 3.584 9.943 ( 0.181 1.921 -2.331) 3.026 10.238 ( 0.783 2.449 0.637) 2.649 10.276 ( -1.833 0.361 -2.590) 3.194 11.109 ( 2.899 -3.604 3.582) 5.850 11.120 ( -4.583 -2.598 -3.063) 6.094 12.425 ( -2.640 -2.361 -1.988) 4.062 12.555 ( 4.092 -1.398 1.324) 4.523 13.430 ( -0.640 1.795 -0.384) 1.944 13.456 ( 0.005 1.244 -0.685) 1.420 13.710 ( -8.341 1.196 -4.947) 9.771 13.911 ( 3.686 1.660 1.589) 4.343 14.464 ( -2.657 0.497 -1.342) 3.018 14.500 ( -4.376 -0.143 -1.195) 4.539 14.528 ( -3.732 4.058 0.633) 5.550 14.838 ( 7.001 10.846 6.644) 14.519 15.244 ( -1.013 -0.168 -0.156) 1.038 15.306 ( -0.635 1.067 -3.254) 3.483 15.668 ( -5.187 0.361 -1.010) 5.297 15.780 ( -1.269 0.795 0.275) 1.523 16.219 ( 6.100 1.199 1.835) 6.482 16.274 ( 6.382 1.198 0.876) 6.552 16.474 ( -8.298 3.962 -9.242) 13.037 16.703 ( 13.150 2.658 6.703) 14.997 17.308 ( -2.232 -0.677 -2.477) 3.402 17.507 ( 5.826 5.610 3.133) 8.674 19.211 ( -13.690 2.513 -8.464) 16.290 19.569 ( 11.824 10.254 10.133) 18.645 21.157 ( -3.285 -3.233 -1.208) 4.764 21.392 ( 3.019 -2.314 0.064) 3.804 25.405 ( -3.058 6.226 -2.771) 7.470 25.917 ( 13.754 28.306 3.955) 31.719 27.152 ( 1.939 4.378 4.224) 6.385 27.373 ( 3.683 5.309 -1.080) 6.551 28.415 ( 0.312 -0.260 0.717) 0.824 28.463 ( 0.871 0.523 -0.486) 1.127 29.106 ( 0.062 -0.604 -0.002) 0.607 29.134 ( 0.032 -0.525 0.169) 0.553 31.684 ( 0.498 -3.233 1.083) 3.445 31.817 ( -0.916 -4.712 -3.250) 5.797 32.851 ( -1.652 -1.166 0.701) 2.140 33.012 ( -4.588 -5.151 3.068) 7.550 33.179 ( 3.836 -1.912 1.389) 4.505 33.505 ( -2.004 0.125 -1.049) 2.265 33.769 ( 2.192 -10.040 0.419) 10.285 33.936 ( 3.429 -3.946 -8.557) 10.028 34.225 ( -4.763 -11.843 5.256) 13.804 34.545 ( -13.879 -15.861 -13.531) 25.045 35.126 ( -0.547 3.944 11.773) 12.428 35.716 ( 2.869 9.127 0.698) 9.593 ======================= Grid point 121 (45/117) ======================= q-point: ( 0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 0.976 -11.670 2.925) 12.070 1.524 ( 1.141 -7.669 1.017) 7.819 1.742 ( -2.519 -4.057 1.601) 5.036 1.948 ( 6.095 -10.843 4.778) 13.325 2.138 ( 4.326 -7.308 0.522) 8.508 2.363 ( 6.305 -2.703 -10.712) 12.720 2.475 ( 0.339 -14.823 1.033) 14.863 2.561 ( -1.882 -12.664 4.091) 13.441 2.619 ( -0.994 -4.379 -7.367) 8.628 2.873 ( -6.600 -3.222 -0.989) 7.411 2.958 ( -3.039 5.631 8.479) 10.623 2.992 ( 3.089 -12.085 -2.276) 12.679 3.331 ( 4.211 -7.571 -0.580) 8.683 3.361 ( -1.192 -0.148 -7.528) 7.624 3.470 ( 0.010 0.345 -3.809) 3.824 3.515 ( 5.746 1.064 4.319) 7.266 3.645 ( 0.327 7.691 5.043) 9.203 3.675 ( -1.539 -0.367 -2.561) 3.010 3.833 ( -2.430 -3.959 -3.950) 6.097 4.194 ( -4.121 0.030 3.519) 5.419 4.226 ( -0.330 6.547 1.199) 6.664 4.326 ( -2.303 1.955 5.947) 6.671 4.430 ( 0.686 0.621 5.568) 5.644 4.594 ( -4.841 -2.826 -6.923) 8.908 4.645 ( 2.150 0.708 4.137) 4.716 4.663 ( 2.022 2.289 -3.375) 4.552 4.711 ( 1.358 3.403 -3.966) 5.400 4.790 ( -1.285 0.177 -5.702) 5.847 4.938 ( 4.671 1.943 5.770) 7.674 5.015 ( 0.210 0.614 1.167) 1.335 5.030 ( -3.754 -0.812 1.007) 3.971 5.210 ( -1.704 1.549 -2.582) 3.459 5.263 ( 5.184 0.542 -4.810) 7.092 5.417 ( -0.272 2.068 -1.484) 2.559 5.523 ( 0.354 2.177 -0.720) 2.320 5.625 ( 1.398 2.572 -7.817) 8.348 5.694 ( 0.772 7.412 0.878) 7.504 5.784 ( -1.419 0.626 11.138) 11.246 5.894 ( -0.663 2.784 4.904) 5.678 6.064 ( -0.794 0.375 -4.277) 4.366 6.149 ( 2.475 -0.358 3.123) 4.001 6.208 ( -6.618 3.297 -6.306) 9.717 6.333 ( 1.698 8.634 1.101) 8.869 6.491 ( 5.011 3.111 7.860) 9.827 6.649 ( -0.820 -0.220 0.534) 1.003 6.694 ( 2.403 3.229 1.558) 4.316 6.838 ( 1.326 2.941 1.232) 3.454 6.973 ( -1.307 -1.956 -0.687) 2.450 7.069 ( 1.750 1.473 5.472) 5.931 7.205 ( -5.971 1.699 -8.538) 10.556 7.601 ( -0.766 3.228 -0.937) 3.447 7.817 ( 6.590 3.090 2.283) 7.628 8.020 ( -1.763 1.398 -0.183) 2.257 8.123 ( -4.417 -6.822 -5.507) 9.817 8.317 ( -0.839 0.676 4.187) 4.323 8.651 ( 1.124 -4.396 -0.085) 4.538 9.533 ( -3.232 -3.639 0.018) 4.867 9.711 ( -0.260 -3.554 0.448) 3.592 9.866 ( -0.250 2.995 -1.264) 3.260 9.902 ( 1.915 1.308 1.081) 2.559 10.193 ( 0.556 2.603 0.138) 2.665 10.257 ( -0.535 0.541 -2.140) 2.272 11.136 ( -4.204 -2.344 -2.324) 5.345 11.205 ( 3.068 -3.701 3.277) 5.818 12.454 ( -1.994 -2.047 -1.819) 3.387 12.602 ( 3.008 -1.015 1.101) 3.360 13.394 ( 0.030 1.674 0.314) 1.704 13.431 ( -0.090 1.173 -1.024) 1.559 13.636 ( -7.422 1.177 -4.675) 8.850 13.905 ( 3.763 1.477 3.194) 5.152 14.405 ( -4.551 2.600 -0.925) 5.322 14.430 ( -2.303 1.641 -1.273) 3.101 14.526 ( 1.019 -0.571 1.402) 1.825 14.724 ( 6.630 5.977 5.482) 10.475 15.243 ( -1.618 -0.778 -0.581) 1.887 15.295 ( -0.748 -0.481 -2.513) 2.666 15.634 ( -3.882 0.120 -1.070) 4.029 15.752 ( -1.547 1.088 -0.565) 1.974 16.227 ( 4.345 1.738 1.922) 5.059 16.268 ( 2.328 2.236 0.219) 3.236 16.371 ( -5.781 1.563 -7.057) 9.256 16.728 ( 11.217 2.931 6.365) 13.226 17.305 ( -2.241 -0.511 -2.510) 3.403 17.461 ( 3.880 2.768 2.189) 5.245 19.089 ( -9.815 2.196 -6.701) 12.086 19.489 ( 9.054 5.786 7.218) 12.944 21.200 ( -3.194 -3.277 -0.934) 4.670 21.437 ( 2.122 -0.809 0.424) 2.310 25.279 ( -1.172 5.225 -1.409) 5.537 25.567 ( 6.416 15.858 2.316) 17.263 27.098 ( 0.422 2.247 2.300) 3.243 27.286 ( 2.200 5.337 -0.973) 5.854 28.421 ( 0.251 -0.168 0.145) 0.335 28.457 ( 0.554 0.506 -0.240) 0.788 29.115 ( -0.051 -0.396 0.128) 0.419 29.141 ( -0.187 -0.236 0.060) 0.307 31.747 ( 0.465 -2.738 2.217) 3.553 31.896 ( -0.494 -4.139 -2.761) 5.000 32.870 ( -0.517 -1.433 0.163) 1.532 33.066 ( -6.149 -3.673 1.547) 7.328 33.232 ( 5.206 -0.665 0.462) 5.269 33.480 ( -0.357 1.516 0.286) 1.584 33.975 ( 0.663 -9.086 -2.375) 9.414 34.051 ( 3.327 -6.796 -3.378) 8.287 34.430 ( -0.799 -10.808 3.566) 11.409 34.678 ( -12.931 -7.694 -8.967) 17.516 35.065 ( 2.313 3.115 8.255) 9.121 35.555 ( 0.547 8.178 0.048) 8.196 ======================= Grid point 122 (46/117) ======================= q-point: ( 0.50 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 3.764 -9.572 2.022) 10.483 1.655 ( -4.019 -6.814 -2.358) 8.255 1.864 ( 5.230 -7.130 0.418) 8.853 2.110 ( 4.710 -1.769 1.343) 5.207 2.202 ( -3.910 1.249 -6.204) 7.440 2.447 ( 3.900 -2.127 -6.352) 7.751 2.662 ( -1.423 -4.312 -7.692) 8.932 2.684 ( 1.151 -6.113 -0.252) 6.225 2.750 ( -2.681 -4.505 4.485) 6.899 2.918 ( -2.694 -3.429 6.603) 7.913 2.985 ( 2.661 -9.081 3.346) 10.037 3.130 ( -2.145 -3.959 0.156) 4.505 3.293 ( 0.089 3.577 -5.670) 6.705 3.377 ( -1.481 4.955 -1.202) 5.310 3.499 ( -0.400 0.238 2.561) 2.603 3.524 ( 2.383 -1.240 1.521) 3.087 3.581 ( 5.850 1.321 1.209) 6.118 3.739 ( -0.327 -6.298 0.291) 6.313 3.905 ( -0.891 -3.804 -3.495) 5.242 4.047 ( -0.050 8.801 1.014) 8.859 4.113 ( -1.964 4.825 4.640) 6.976 4.348 ( 0.225 -1.565 4.215) 4.501 4.392 ( -3.093 0.936 7.257) 7.944 4.541 ( -5.743 7.163 -3.695) 9.896 4.582 ( -1.667 0.104 -1.551) 2.279 4.666 ( 0.931 1.196 -3.699) 3.997 4.733 ( 2.920 -2.185 -4.648) 5.909 4.793 ( -0.615 -2.598 -4.479) 5.215 4.890 ( 2.419 4.182 0.425) 4.850 5.004 ( 2.226 1.222 0.867) 2.683 5.030 ( -4.600 -0.912 3.037) 5.587 5.159 ( 3.668 0.006 2.456) 4.414 5.311 ( 3.969 -0.867 -3.694) 5.491 5.417 ( -3.693 3.149 -3.292) 5.865 5.444 ( 4.387 3.224 0.410) 5.459 5.572 ( -0.696 2.501 -6.950) 7.419 5.629 ( 0.029 -0.764 4.992) 5.051 5.804 ( -0.802 -1.776 11.392) 11.558 5.833 ( -3.742 0.785 0.817) 3.910 6.046 ( 0.492 1.515 -2.821) 3.240 6.144 ( -2.085 0.709 -4.717) 5.206 6.174 ( 2.259 1.067 1.857) 3.113 6.184 ( -0.770 5.971 -0.294) 6.027 6.482 ( 10.138 3.446 8.985) 13.978 6.580 ( -5.022 2.896 -0.493) 5.818 6.684 ( -4.650 -1.955 -3.510) 6.146 6.860 ( 5.580 -1.383 3.689) 6.831 6.991 ( -1.815 0.424 -1.800) 2.591 7.035 ( -0.459 0.595 3.840) 3.913 7.195 ( -2.653 -3.456 -7.062) 8.298 7.535 ( -0.771 2.899 -0.839) 3.115 7.817 ( 5.646 2.018 2.496) 6.495 7.959 ( -3.155 2.585 -1.006) 4.201 8.150 ( -0.515 1.108 -5.867) 5.993 8.358 ( -0.346 -4.216 7.070) 8.239 8.710 ( 0.293 -1.541 -2.031) 2.566 9.581 ( -1.873 -3.058 0.851) 3.686 9.775 ( 0.174 -3.007 0.622) 3.076 9.786 ( -0.886 4.018 -1.692) 4.449 9.895 ( 1.414 1.220 0.960) 2.099 10.149 ( 0.275 2.197 -0.148) 2.219 10.253 ( 0.182 -0.354 -2.032) 2.071 11.149 ( -2.856 -1.246 -0.951) 3.257 11.284 ( 2.201 -2.544 2.189) 4.013 12.474 ( -1.288 -1.134 -1.412) 2.222 12.630 ( 1.748 -0.288 0.770) 1.932 13.367 ( 0.189 1.228 0.864) 1.513 13.415 ( 0.100 0.374 -1.116) 1.182 13.574 ( -5.350 0.932 -3.123) 6.265 13.903 ( 2.517 0.919 3.094) 4.093 14.357 ( -2.050 0.445 -0.916) 2.289 14.382 ( -0.796 1.972 -0.278) 2.145 14.543 ( 0.655 -0.540 1.127) 1.411 14.682 ( 4.336 2.499 3.213) 5.947 15.255 ( -0.758 -1.165 -0.111) 1.394 15.308 ( -0.638 -1.202 -1.975) 2.398 15.618 ( -1.994 -0.492 -0.964) 2.269 15.724 ( -1.149 0.709 -1.054) 1.712 16.197 ( 0.194 2.194 -0.397) 2.238 16.247 ( 1.020 0.909 0.829) 1.598 16.326 ( -2.041 0.934 -3.490) 4.149 16.737 ( 7.105 2.219 4.578) 8.739 17.295 ( -1.996 0.154 -1.614) 2.571 17.441 ( 1.960 1.479 1.194) 2.730 19.002 ( -5.905 1.534 -4.149) 7.379 19.455 ( 5.698 2.858 4.039) 7.547 21.239 ( -2.113 -2.519 -0.581) 3.339 21.453 ( 1.265 0.128 0.341) 1.317 25.195 ( -0.600 2.882 -0.432) 2.975 25.373 ( 2.414 7.699 0.855) 8.114 27.073 ( 0.006 0.505 1.196) 1.298 27.206 ( 0.984 3.857 -0.738) 4.048 28.425 ( 0.224 -0.077 -0.139) 0.275 28.450 ( 0.198 0.424 -0.150) 0.491 29.120 ( -0.045 -0.187 0.277) 0.337 29.142 ( -0.202 -0.042 -0.067) 0.217 31.790 ( 0.120 -1.394 3.017) 3.326 31.960 ( -0.024 -2.502 -2.905) 3.834 32.897 ( 0.356 -1.385 0.400) 1.485 33.081 ( -5.366 -2.034 0.028) 5.738 33.267 ( 4.756 0.375 0.233) 4.776 33.450 ( -0.347 1.392 0.948) 1.719 34.092 ( -1.499 -4.003 -3.538) 5.549 34.220 ( 4.799 -6.436 -0.584) 8.049 34.608 ( 0.615 -7.031 0.592) 7.083 34.693 ( -9.096 -1.982 -3.916) 10.100 35.048 ( 3.176 0.531 5.641) 6.495 35.429 ( -1.117 4.495 -0.101) 4.633 ======================= Grid point 123 (47/117) ======================= q-point: (-0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 6.083 -0.416 2.213) 6.487 1.710 ( -3.093 -0.422 -1.922) 3.666 2.024 ( -6.171 -2.970 -3.844) 7.854 2.052 ( 1.497 1.590 -2.043) 2.991 2.148 ( 6.412 4.641 -1.605) 8.076 2.431 ( 0.785 6.108 -6.536) 8.980 2.621 ( -0.504 7.326 -1.615) 7.519 2.736 ( 1.626 -3.207 -5.761) 6.791 2.919 ( -4.406 -8.313 3.957) 10.207 2.974 ( -2.584 -3.570 -0.420) 4.427 3.031 ( 1.893 3.397 8.697) 9.527 3.214 ( -0.414 3.024 1.885) 3.587 3.239 ( -3.094 -4.131 -0.333) 5.172 3.344 ( 1.691 -3.304 0.058) 3.712 3.436 ( 3.101 4.181 4.652) 6.981 3.561 ( 2.924 4.290 -2.369) 5.706 3.601 ( -4.485 -5.333 -2.123) 7.284 3.788 ( -0.576 2.149 1.574) 2.725 3.901 ( 0.140 0.875 0.614) 1.078 4.040 ( 1.214 -0.302 4.150) 4.334 4.055 ( 1.327 -4.891 -4.617) 6.855 4.292 ( 8.952 5.946 7.271) 12.975 4.414 ( -11.146 -0.474 -6.687) 13.007 4.436 ( 2.186 -1.932 7.134) 7.708 4.580 ( -1.637 -1.100 -5.215) 5.576 4.695 ( -2.855 -5.930 2.989) 7.229 4.764 ( -1.065 1.460 -5.796) 6.072 4.810 ( -1.359 -0.009 -2.599) 2.933 4.861 ( 5.054 0.190 0.602) 5.093 4.995 ( 0.731 -0.012 0.940) 1.190 5.018 ( -0.644 0.132 -1.812) 1.927 5.235 ( -5.264 5.308 1.218) 7.574 5.253 ( 4.944 -4.272 1.764) 6.768 5.375 ( 4.270 1.586 -5.398) 7.062 5.421 ( 2.787 2.487 -2.811) 4.675 5.519 ( -4.404 0.509 -5.064) 6.731 5.643 ( -0.915 0.268 10.328) 10.372 5.836 ( -0.344 -1.415 9.448) 9.559 5.868 ( -2.345 -5.974 -0.429) 6.432 6.021 ( 1.713 0.970 -0.988) 2.203 6.078 ( -0.407 4.245 -2.722) 5.059 6.130 ( 0.351 0.304 -2.523) 2.566 6.157 ( -0.410 1.814 0.606) 1.956 6.499 ( 6.918 -0.412 3.238) 7.649 6.521 ( -3.934 0.205 4.236) 5.785 6.696 ( -3.096 -0.729 -3.824) 4.973 6.902 ( 2.335 0.372 2.188) 3.221 6.952 ( -2.245 0.810 1.080) 2.620 7.040 ( 0.725 0.463 1.397) 1.641 7.264 ( 0.363 -3.835 -6.005) 7.135 7.490 ( -0.961 1.102 0.168) 1.472 7.797 ( 0.098 1.059 0.290) 1.103 7.920 ( -0.807 -0.069 -0.263) 0.851 8.126 ( 1.220 0.717 -4.139) 4.374 8.433 ( 0.112 -2.924 6.104) 6.769 8.721 ( 0.311 0.238 -3.261) 3.284 9.631 ( -0.465 -2.940 1.831) 3.494 9.712 ( 0.036 3.376 -0.990) 3.518 9.819 ( 0.114 -0.808 0.088) 0.821 9.877 ( 0.256 0.505 0.349) 0.665 10.117 ( 0.441 1.203 0.110) 1.286 10.269 ( 0.092 -1.183 -2.461) 2.732 11.145 ( -1.348 0.394 0.472) 1.482 11.326 ( 0.929 -0.739 0.767) 1.413 12.481 ( -0.365 -0.171 -0.815) 0.909 12.634 ( 0.410 0.597 0.313) 0.788 13.351 ( -0.074 0.430 0.861) 0.965 13.419 ( 0.355 -0.715 -1.162) 1.410 13.535 ( -2.357 0.471 -0.582) 2.473 13.904 ( 0.220 -0.069 1.817) 1.831 14.340 ( -0.232 0.401 -0.578) 0.741 14.370 ( -0.375 -1.054 0.198) 1.137 14.552 ( 0.099 -0.117 0.573) 0.594 14.676 ( 2.313 0.505 1.496) 2.800 15.272 ( 0.143 -0.690 0.153) 0.722 15.324 ( -0.236 -0.647 -1.845) 1.970 15.628 ( 0.198 -1.112 -0.593) 1.275 15.714 ( -0.036 -0.175 -0.963) 0.980 16.172 ( 0.221 0.301 -0.265) 0.458 16.235 ( -0.059 0.763 1.223) 1.443 16.295 ( -1.583 1.143 -2.023) 2.812 16.738 ( 1.875 0.633 1.708) 2.614 17.272 ( -1.190 1.119 -0.032) 1.633 17.426 ( 0.195 0.806 0.560) 1.000 18.957 ( -1.984 0.482 -1.187) 2.362 19.453 ( 2.201 0.100 1.237) 2.527 21.268 ( -0.608 -1.407 -0.337) 1.570 21.450 ( 0.403 0.760 0.143) 0.872 25.163 ( -0.441 0.123 0.094) 0.468 25.296 ( 0.386 1.403 0.354) 1.497 27.080 ( -0.152 -1.176 0.594) 1.326 27.157 ( 0.143 1.442 -0.565) 1.555 28.427 ( 0.158 -0.118 -0.250) 0.318 28.444 ( -0.099 0.308 -0.166) 0.363 29.123 ( 0.018 -0.123 0.396) 0.415 29.141 ( -0.070 0.029 -0.141) 0.160 31.801 ( -0.211 0.333 3.267) 3.291 31.983 ( 0.226 0.152 -3.169) 3.181 32.925 ( 0.927 -1.099 1.146) 1.839 33.087 ( -3.463 -1.628 -1.015) 3.959 33.277 ( 4.378 1.491 0.085) 4.626 33.424 ( -1.737 0.655 0.949) 2.085 34.111 ( -1.128 1.180 -1.765) 2.404 34.315 ( 2.311 -0.673 -2.527) 3.490 34.622 ( -5.887 1.875 1.959) 6.482 34.729 ( 4.025 -2.108 -3.202) 5.559 35.090 ( 2.697 -2.699 4.464) 5.872 35.376 ( -2.100 -0.059 -0.242) 2.115 ======================= Grid point 124 (48/117) ======================= q-point: (-0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 5.523 7.434 5.675) 10.862 1.631 ( 0.746 6.410 -1.857) 6.715 1.918 ( -2.223 5.140 1.111) 5.709 1.952 ( -3.901 13.124 -3.162) 14.052 2.169 ( 2.356 0.801 -2.067) 3.235 2.278 ( -1.462 5.366 -3.277) 6.455 2.501 ( -2.505 4.880 -8.228) 9.889 2.707 ( 5.917 6.385 6.621) 10.937 2.847 ( -0.058 9.523 4.044) 10.346 3.015 ( -3.064 -2.060 1.380) 3.942 3.092 ( -1.474 -1.380 0.904) 2.212 3.170 ( -4.235 -3.060 -1.009) 5.321 3.269 ( 2.423 5.119 -0.271) 5.670 3.349 ( 2.865 -1.520 2.655) 4.191 3.456 ( -0.309 0.829 -8.093) 8.142 3.481 ( 1.428 0.339 -1.500) 2.099 3.674 ( 0.551 -2.831 1.365) 3.191 3.705 ( -3.117 4.684 0.635) 5.662 3.943 ( -0.710 -2.952 -0.414) 3.064 4.041 ( -0.577 -3.522 3.931) 5.309 4.185 ( 2.985 -1.162 -0.422) 3.231 4.312 ( -3.937 0.864 -0.452) 4.056 4.356 ( 6.513 -1.740 7.336) 9.963 4.447 ( -2.240 -1.871 -0.057) 2.919 4.642 ( 1.024 -1.403 -3.954) 4.319 4.725 ( -1.116 -0.295 1.449) 1.853 4.787 ( 0.030 -5.576 -5.177) 7.609 4.825 ( -0.738 -2.006 -1.548) 2.639 4.873 ( 4.158 2.767 -1.754) 5.294 4.989 ( -6.056 0.458 5.481) 8.181 5.045 ( 1.673 -3.380 -0.721) 3.840 5.157 ( -2.414 -2.542 -8.322) 9.030 5.313 ( 3.388 4.078 0.720) 5.350 5.353 ( 3.725 0.323 -3.720) 5.274 5.436 ( -1.978 -2.987 2.324) 4.270 5.516 ( -2.098 -3.567 -4.648) 6.223 5.648 ( -0.492 -0.529 6.381) 6.422 5.845 ( -0.024 0.822 5.134) 5.200 5.934 ( -1.049 -0.065 0.483) 1.157 6.023 ( 0.954 -0.718 2.962) 3.194 6.055 ( -0.902 -3.424 2.548) 4.362 6.115 ( -1.078 1.551 -2.852) 3.421 6.156 ( 1.393 -2.926 -1.428) 3.541 6.507 ( -1.323 0.151 8.258) 8.364 6.587 ( -2.993 -5.389 -3.326) 7.005 6.679 ( 3.939 0.636 0.956) 4.103 6.870 ( -0.230 2.285 -0.265) 2.312 6.951 ( 1.381 -0.149 1.809) 2.280 7.016 ( 0.176 1.820 1.149) 2.160 7.323 ( 0.164 -2.324 -6.059) 6.492 7.484 ( -0.753 -1.282 1.477) 2.096 7.804 ( -4.539 -2.282 -3.333) 6.076 7.934 ( 2.540 -0.798 3.188) 4.154 8.146 ( 1.646 -1.902 -4.428) 5.093 8.465 ( -0.540 -0.266 4.745) 4.783 8.712 ( 0.381 0.735 -4.478) 4.554 9.652 ( 1.166 2.946 0.439) 3.198 9.692 ( 0.553 -2.917 2.215) 3.704 9.790 ( -0.026 3.210 -0.251) 3.220 9.896 ( -0.596 -1.902 -0.320) 2.019 10.114 ( 1.126 -0.482 0.651) 1.387 10.294 ( -0.431 -1.555 -3.021) 3.425 11.117 ( 0.066 2.095 1.832) 2.784 11.324 ( -0.461 1.032 -0.809) 1.390 12.476 ( 0.745 0.713 -0.171) 1.045 12.613 ( -0.854 1.471 -0.214) 1.714 13.354 ( 0.019 -0.723 0.663) 0.981 13.442 ( -0.591 -1.564 -2.186) 2.752 13.530 ( 2.023 -0.207 2.998) 3.623 13.906 ( -2.254 -0.624 0.536) 2.399 14.358 ( 1.175 -2.112 0.412) 2.452 14.399 ( 0.304 -1.757 0.436) 1.836 14.551 ( -0.685 -0.124 -0.312) 0.763 14.690 ( -0.047 -1.299 0.216) 1.317 15.278 ( 0.584 0.414 -0.358) 0.801 15.327 ( 0.002 -0.003 -1.963) 1.963 15.659 ( 2.184 -1.245 0.295) 2.531 15.730 ( 1.480 -0.890 -0.473) 1.790 16.187 ( -0.515 -1.472 -0.487) 1.634 16.219 ( -0.994 0.337 1.271) 1.648 16.262 ( -0.002 1.511 -0.099) 1.515 16.737 ( -3.509 -1.080 -1.800) 4.089 17.242 ( 0.715 1.747 2.113) 2.833 17.412 ( -1.196 0.426 0.297) 1.304 18.958 ( 2.176 -0.555 2.226) 3.162 19.478 ( -1.372 -2.437 -1.184) 3.037 21.283 ( 0.919 -0.050 -0.197) 0.942 21.428 ( -0.704 1.453 -0.198) 1.627 25.184 ( 0.165 -2.372 0.666) 2.470 25.319 ( -1.222 -3.854 0.411) 4.064 27.109 ( -0.751 -1.801 1.121) 2.251 27.158 ( -0.041 -1.700 -1.305) 2.144 28.431 ( -0.059 -0.151 -0.172) 0.236 28.438 ( -0.149 0.159 -0.301) 0.371 29.125 ( 0.020 -0.017 0.474) 0.475 29.140 ( 0.097 0.140 -0.162) 0.235 31.778 ( -0.304 1.932 2.946) 3.536 31.955 ( 0.526 2.735 -3.478) 4.456 32.948 ( 0.681 -0.551 2.294) 2.456 33.096 ( -2.190 -0.990 -1.760) 2.979 33.265 ( 4.203 2.793 1.046) 5.154 33.410 ( -2.304 -0.982 -0.313) 2.524 34.032 ( -0.333 6.360 -0.297) 6.375 34.264 ( -1.637 5.774 -5.862) 8.389 34.538 ( -0.482 4.907 6.457) 8.124 34.769 ( 5.186 0.535 -4.409) 6.827 35.180 ( 1.572 -4.940 3.733) 6.388 35.399 ( -2.730 -3.675 -0.872) 4.660 ======================= Grid point 125 (49/117) ======================= q-point: (-0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 4.568 10.231 11.252) 15.879 1.511 ( 5.134 8.406 0.853) 9.887 1.599 ( -8.825 17.153 1.561) 19.353 1.789 ( 7.193 10.736 8.723) 15.591 2.053 ( -0.766 7.075 -0.033) 7.116 2.244 ( -3.007 1.292 -6.832) 7.575 2.361 ( -6.546 5.936 -11.368) 14.399 2.643 ( 4.360 7.984 1.252) 9.183 2.655 ( 0.978 9.027 6.718) 11.295 2.887 ( -4.579 11.978 3.994) 13.431 3.058 ( 0.617 4.197 -2.695) 5.026 3.137 ( 0.797 1.971 1.107) 2.397 3.282 ( 1.853 7.263 0.138) 7.497 3.328 ( 3.562 -3.978 -4.028) 6.689 3.456 ( 2.344 -3.368 -3.563) 5.435 3.536 ( -10.195 -0.268 -7.599) 12.719 3.586 ( 0.443 0.358 -1.092) 1.231 3.756 ( 0.557 -5.997 0.912) 6.091 3.937 ( 5.616 3.134 1.784) 6.675 4.052 ( -4.924 7.004 3.193) 9.138 4.221 ( 1.353 -10.917 3.191) 11.454 4.331 ( 2.888 -2.810 3.961) 5.650 4.424 ( -2.455 -1.104 -0.505) 2.738 4.585 ( -0.954 0.023 1.291) 1.606 4.592 ( 5.871 -4.237 -2.738) 7.741 4.732 ( -2.592 1.320 -2.812) 4.045 4.819 ( -2.289 2.671 -3.837) 5.206 4.839 ( -1.618 -3.170 -5.659) 6.685 4.910 ( 0.669 -2.804 -1.732) 3.363 4.982 ( -0.085 -2.864 1.090) 3.065 5.108 ( -4.217 0.297 -0.102) 4.229 5.174 ( 1.855 0.384 -1.502) 2.417 5.286 ( 4.933 -0.390 0.313) 4.959 5.434 ( -0.951 -6.792 -1.206) 6.963 5.468 ( 0.003 -3.785 -0.244) 3.793 5.570 ( -5.367 -1.344 -1.901) 5.850 5.626 ( -0.623 2.465 3.584) 4.395 5.808 ( 4.161 2.142 -2.200) 5.171 5.987 ( 2.187 -4.399 6.829) 8.412 6.051 ( -1.376 -1.325 3.569) 4.048 6.103 ( 1.540 -1.337 -1.762) 2.695 6.112 ( 0.750 -2.590 4.870) 5.566 6.273 ( -0.076 -8.506 -0.874) 8.551 6.508 ( -1.352 -1.174 11.151) 11.293 6.604 ( -8.174 -2.682 -6.446) 10.750 6.752 ( 3.549 -2.248 2.506) 4.891 6.850 ( 1.602 -0.290 -0.412) 1.679 6.961 ( 4.070 1.264 3.849) 5.743 7.014 ( -1.393 -2.617 -0.017) 2.965 7.353 ( -1.494 -1.198 -6.670) 6.939 7.546 ( 1.755 -5.001 3.550) 6.380 7.790 ( -5.619 -0.648 -5.677) 8.014 7.980 ( 3.321 -0.928 4.399) 5.589 8.199 ( 1.133 -2.249 -6.030) 6.535 8.442 ( -0.470 2.304 3.026) 3.832 8.689 ( -3.038 0.928 -6.556) 7.285 9.607 ( 3.285 3.094 1.772) 4.848 9.707 ( -2.419 4.311 -0.686) 4.991 9.754 ( 2.571 -1.842 3.382) 4.630 9.928 ( -0.937 -1.832 -1.404) 2.491 10.149 ( 1.846 -2.033 1.123) 2.967 10.321 ( -0.985 -1.792 -3.360) 3.933 11.070 ( 1.282 3.226 3.072) 4.635 11.285 ( -1.636 2.179 -2.284) 3.555 12.463 ( 1.917 1.470 0.425) 2.453 12.569 ( -1.949 2.137 -0.758) 2.990 13.381 ( 0.556 -1.838 0.431) 1.968 13.462 ( -1.972 -1.449 -2.760) 3.689 13.580 ( 7.432 -1.842 5.981) 9.716 13.898 ( -3.906 -0.597 -0.372) 3.968 14.422 ( 1.394 -2.762 0.605) 3.152 14.441 ( 3.559 -1.722 3.585) 5.337 14.556 ( -1.755 -1.563 -1.858) 2.996 14.729 ( -3.840 -4.170 -1.198) 5.795 15.263 ( 1.120 1.566 -1.077) 2.206 15.327 ( -0.375 -0.266 -2.292) 2.337 15.700 ( 3.405 -1.171 1.637) 3.955 15.761 ( 2.375 -0.885 -0.053) 2.535 16.178 ( -4.525 0.259 -0.292) 4.541 16.208 ( -5.273 -0.177 -2.770) 5.959 16.283 ( 9.144 -1.172 5.067) 10.520 16.731 ( -7.880 -2.066 -5.216) 9.673 17.227 ( 4.179 1.225 4.770) 6.459 17.395 ( -2.118 0.250 0.335) 2.159 19.008 ( 7.266 -1.584 6.521) 9.891 19.522 ( -5.221 -4.187 -3.176) 7.408 21.280 ( 2.082 1.448 -0.028) 2.537 21.383 ( -1.953 2.419 -1.065) 3.287 25.260 ( 3.106 -4.783 2.471) 6.215 25.420 ( -3.515 -7.888 0.612) 8.657 27.136 ( -1.851 -1.982 1.845) 3.280 27.216 ( 0.480 -3.808 -2.152) 4.400 28.427 ( -0.445 0.342 0.171) 0.587 28.440 ( 0.122 -0.360 -0.583) 0.696 29.123 ( -0.154 0.305 0.520) 0.623 29.136 ( 0.267 0.415 -0.166) 0.520 31.730 ( -0.109 2.885 2.138) 3.592 31.889 ( 1.104 4.377 -3.973) 6.013 32.951 ( -1.095 0.359 3.398) 3.588 33.090 ( -0.505 0.752 -2.436) 2.599 33.218 ( 0.830 3.748 4.661) 6.038 33.446 ( 0.794 -3.157 -3.468) 4.757 33.877 ( 0.632 9.431 0.746) 9.481 34.098 ( -2.702 9.142 -7.308) 12.012 34.427 ( 1.530 7.382 8.421) 11.303 34.774 ( 5.859 2.659 -7.069) 9.559 35.289 ( -2.911 -6.293 5.044) 8.574 35.478 ( -1.810 -6.150 -2.221) 6.785 ======================= Grid point 126 (50/117) ======================= q-point: (-0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 3.305 9.286 14.852) 17.825 1.247 ( -0.356 14.268 15.821) 21.308 1.357 ( 0.510 10.409 2.424) 10.700 1.593 ( 10.381 16.261 10.617) 22.021 1.957 ( 0.480 8.523 2.396) 8.867 2.051 ( 1.422 15.781 1.996) 15.970 2.162 ( -2.336 18.612 -3.483) 19.078 2.326 ( -10.113 7.972 -11.592) 17.326 2.574 ( -6.346 2.895 -1.318) 7.099 2.695 ( 7.471 3.869 -2.453) 8.763 3.012 ( 0.853 1.772 -3.369) 3.901 3.135 ( -0.314 8.283 1.106) 8.362 3.168 ( -0.258 -3.525 -0.060) 3.535 3.375 ( 0.656 1.187 -2.107) 2.506 3.402 ( -11.305 1.775 -10.354) 15.433 3.562 ( 4.311 -3.052 -2.316) 5.768 3.683 ( 5.704 -5.850 0.488) 8.184 3.911 ( -4.129 -10.746 0.051) 11.512 3.942 ( -3.801 -0.090 0.724) 3.871 3.965 ( 8.963 -1.276 -1.893) 9.249 4.351 ( 2.988 1.587 3.509) 4.875 4.412 ( -0.339 -2.110 -0.058) 2.138 4.425 ( -1.533 -0.794 -0.867) 1.932 4.521 ( 1.322 1.400 2.491) 3.148 4.671 ( 0.443 -0.777 0.786) 1.190 4.718 ( -2.388 2.943 -2.321) 4.444 4.768 ( -0.527 -2.186 -3.383) 4.062 4.876 ( -4.046 2.054 -3.613) 5.801 4.908 ( -2.716 -0.192 -8.511) 8.936 4.997 ( 1.865 1.354 4.495) 5.051 5.048 ( -0.679 -0.233 0.722) 1.018 5.238 ( -0.447 0.116 -0.082) 0.470 5.278 ( -0.369 0.682 0.588) 0.973 5.488 ( -2.567 -0.188 -1.325) 2.895 5.520 ( -4.870 0.238 3.412) 5.951 5.564 ( 3.527 -1.510 3.207) 5.000 5.651 ( 6.502 -4.447 -2.889) 8.390 5.851 ( 4.774 -3.336 -5.654) 8.117 5.987 ( -5.156 0.985 0.046) 5.249 6.067 ( -0.727 1.861 -0.986) 2.228 6.184 ( 1.168 -8.969 12.750) 15.632 6.289 ( 9.528 -9.841 5.522) 14.769 6.452 ( 2.627 -8.473 1.729) 9.038 6.539 ( -8.082 -4.416 10.123) 13.686 6.622 ( -5.933 -4.082 -5.116) 8.833 6.788 ( -0.320 -1.227 -1.934) 2.313 6.887 ( 3.849 -1.251 3.131) 5.117 6.969 ( 2.927 0.302 4.329) 5.235 7.063 ( -2.205 -2.765 -1.246) 3.750 7.325 ( -2.399 2.710 -5.427) 6.523 7.655 ( 0.924 -2.859 3.525) 4.632 7.838 ( -0.679 -8.249 -5.577) 9.981 7.977 ( 1.366 3.519 0.350) 3.791 8.219 ( -2.614 -0.242 -6.735) 7.229 8.392 ( 2.917 2.989 2.979) 5.130 8.622 ( -11.098 1.362 -8.804) 14.232 9.571 ( 2.119 3.389 1.715) 4.350 9.590 ( -0.367 6.302 -0.164) 6.315 9.796 ( 1.838 -0.836 3.305) 3.873 9.951 ( -0.484 -1.019 -2.454) 2.701 10.206 ( 1.952 -2.336 1.455) 3.374 10.344 ( -1.814 -1.364 -3.598) 4.254 11.018 ( 2.272 3.261 4.041) 5.668 11.226 ( -2.389 2.402 -3.400) 4.800 12.447 ( 3.043 1.739 0.960) 3.634 12.510 ( -2.800 2.309 -1.265) 3.844 13.427 ( 0.994 -2.309 0.125) 2.517 13.473 ( -1.660 -0.975 -1.733) 2.591 13.695 ( 11.880 -3.630 6.180) 13.874 13.882 ( -4.432 -0.533 -1.187) 4.619 14.466 ( 2.030 -1.046 1.306) 2.631 14.498 ( 3.095 -0.658 3.693) 4.863 14.626 ( 3.689 -7.078 2.119) 8.258 14.799 ( -8.232 -6.682 -2.008) 10.791 15.239 ( 1.707 1.654 -0.778) 2.501 15.334 ( -0.909 -0.994 -3.140) 3.417 15.742 ( 2.746 -0.926 2.403) 3.765 15.787 ( 1.767 -0.295 0.177) 1.800 16.141 ( -3.857 0.595 -0.039) 3.903 16.177 ( -2.894 0.323 -1.941) 3.500 16.387 ( 10.325 -2.623 5.202) 11.855 16.717 ( -9.256 -2.428 -7.215) 11.984 17.269 ( 8.938 -1.846 7.140) 11.588 17.377 ( -2.266 0.115 0.600) 2.347 19.134 ( 15.514 -4.965 12.579) 20.581 19.561 ( -9.567 -4.541 -4.564) 11.532 21.247 ( 0.337 3.034 0.101) 3.055 21.316 ( -0.552 3.405 -2.970) 4.552 25.443 ( 14.121 -10.592 7.512) 19.184 25.559 ( -6.494 -9.423 0.670) 11.464 27.163 ( -2.406 -2.079 2.186) 3.859 27.295 ( 1.552 -3.694 -2.550) 4.749 28.415 ( -0.386 0.541 0.458) 0.807 28.449 ( 0.162 -0.404 -0.682) 0.808 29.111 ( -0.423 0.732 0.510) 0.987 29.127 ( 0.432 0.704 -0.122) 0.835 31.673 ( 0.145 3.009 1.066) 3.195 31.806 ( 1.939 5.046 -4.956) 7.333 32.923 ( -2.704 1.282 3.166) 4.356 33.058 ( 0.182 2.511 -1.714) 3.046 33.152 ( -1.787 2.383 8.215) 8.739 33.519 ( 2.161 -3.046 -5.430) 6.591 33.702 ( 1.634 9.041 1.469) 9.304 33.904 ( -1.076 8.947 -7.278) 11.583 34.292 ( 0.374 7.181 7.141) 10.134 34.708 ( 3.814 8.424 -12.991) 15.946 35.371 ( -13.954 -7.260 8.050) 17.670 35.610 ( 2.613 -7.239 -2.488) 8.088 ======================= Grid point 129 (51/117) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 18.591 0.000 10.246) 21.227 0.998 ( 7.807 0.000 28.915) 29.951 1.087 ( 1.458 0.000 0.832) 1.679 1.301 ( 11.455 0.000 -11.570) 16.281 1.618 ( 10.962 0.000 13.466) 17.364 1.917 ( -1.290 -0.000 -19.851) 19.893 2.096 ( 26.679 0.000 19.806) 33.227 2.106 ( -6.443 -0.000 -9.532) 11.505 2.510 ( 8.726 0.000 -3.767) 9.504 2.592 ( -3.892 -0.000 -4.062) 5.626 2.868 ( -7.859 -0.000 -5.445) 9.561 2.874 ( -2.085 -0.000 7.748) 8.024 2.987 ( -4.223 -0.000 6.905) 8.094 3.194 ( -5.094 -0.000 -4.149) 6.570 3.613 ( 4.255 0.000 -16.995) 17.520 3.735 ( 7.711 0.000 2.380) 8.070 3.790 ( -19.471 -0.000 -5.915) 20.350 3.961 ( 0.292 0.000 10.802) 10.806 4.049 ( -8.264 -0.000 -3.453) 8.957 4.178 ( -5.147 -0.000 -3.216) 6.069 4.288 ( -0.890 -0.000 -3.874) 3.975 4.323 ( -1.657 -0.000 3.064) 3.483 4.416 ( 3.658 0.000 3.538) 5.089 4.432 ( -6.191 -0.000 -4.311) 7.544 4.642 ( -0.366 -0.000 0.009) 0.366 4.649 ( 3.913 0.000 -2.435) 4.609 4.727 ( 5.886 0.000 0.544) 5.911 4.751 ( 8.162 0.000 -1.624) 8.322 4.900 ( -4.007 -0.000 5.172) 6.542 4.999 ( 3.912 0.000 -6.724) 7.779 5.050 ( 7.235 0.000 3.082) 7.864 5.155 ( 4.044 0.000 3.577) 5.399 5.280 ( -6.839 -0.000 -9.594) 11.782 5.519 ( 0.272 0.000 0.788) 0.833 5.639 ( 1.599 0.000 3.275) 3.645 5.773 ( 1.396 0.000 1.414) 1.987 5.828 ( 2.189 0.000 -1.160) 2.477 5.848 ( 6.535 0.000 -4.304) 7.825 5.993 ( 0.592 0.000 0.387) 0.708 6.205 ( -9.203 -0.000 9.424) 13.173 6.222 ( 8.946 0.000 9.883) 13.331 6.436 ( -0.070 -0.000 5.147) 5.147 6.624 ( -8.738 -0.000 -3.996) 9.609 6.661 ( 0.801 0.000 2.798) 2.911 6.735 ( -5.162 -0.000 -4.886) 7.108 6.940 ( -8.244 -0.000 -5.961) 10.173 7.001 ( 5.858 0.000 7.141) 9.237 7.016 ( 2.330 0.000 2.587) 3.482 7.106 ( 1.519 0.000 -0.830) 1.731 7.129 ( 8.663 0.000 1.269) 8.755 7.463 ( 2.310 0.000 3.845) 4.485 7.725 ( 3.258 0.000 -4.473) 5.534 8.179 ( 1.527 0.000 2.716) 3.116 8.220 ( -13.258 -0.000 -2.758) 13.541 8.322 ( -2.281 -0.000 5.992) 6.411 8.374 ( 1.183 0.000 -1.749) 2.112 9.433 ( 1.878 0.000 1.609) 2.473 9.462 ( 0.956 0.000 -2.264) 2.457 9.854 ( 2.655 0.000 2.918) 3.945 9.947 ( 1.149 0.000 -1.883) 2.206 10.265 ( -2.775 -0.000 -3.264) 4.284 10.297 ( 1.714 0.000 1.436) 2.236 11.025 ( 2.808 0.000 4.121) 4.986 11.060 ( -6.154 -0.000 -4.200) 7.451 12.370 ( -2.733 -0.000 -1.707) 3.222 12.521 ( 4.578 0.000 1.113) 4.712 13.464 ( -1.238 -0.000 -0.367) 1.291 13.488 ( -0.146 -0.000 -0.725) 0.739 13.738 ( -9.070 -0.000 -5.152) 10.431 13.942 ( 0.295 0.000 -1.486) 1.515 14.478 ( -1.489 -0.000 -0.427) 1.549 14.481 ( -1.684 -0.000 -0.628) 1.797 14.631 ( -10.227 -0.000 -1.589) 10.350 15.149 ( -5.270 -0.000 -2.419) 5.799 15.278 ( 1.506 0.000 2.529) 2.943 15.341 ( -0.073 -0.000 -1.840) 1.841 15.678 ( -4.680 -0.000 -0.661) 4.726 15.795 ( -0.234 -0.000 0.620) 0.663 16.264 ( 6.053 0.000 2.688) 6.623 16.281 ( 7.800 0.000 -1.731) 7.989 16.611 ( -6.497 -0.000 -11.307) 13.040 16.761 ( 14.066 0.000 6.990) 15.707 17.291 ( -2.814 -0.000 -2.661) 3.873 17.739 ( 0.594 0.000 -2.153) 2.234 19.269 ( -16.333 -0.000 -8.547) 18.434 19.981 ( -6.545 -0.000 -3.806) 7.571 21.168 ( 1.267 0.000 -1.079) 1.664 21.230 ( 5.059 0.000 1.474) 5.269 25.556 ( -4.707 -0.000 -3.928) 6.131 26.855 ( -7.996 -0.000 -17.584) 19.317 27.447 ( 6.233 0.000 -0.679) 6.270 27.819 ( 3.598 0.000 -7.417) 8.244 28.456 ( 1.419 0.000 2.895) 3.224 28.476 ( 1.419 0.000 -0.782) 1.620 29.115 ( 0.061 0.000 0.233) 0.241 29.115 ( 2.110 0.000 -2.423) 3.213 31.582 ( 0.189 0.000 0.160) 0.248 31.605 ( 0.160 0.000 -0.272) 0.316 32.850 ( -6.781 -0.000 5.035) 8.446 32.856 ( -0.557 -0.000 0.804) 0.978 33.119 ( -0.493 -0.000 5.652) 5.674 33.355 ( -2.656 -0.000 -0.512) 2.705 33.535 ( 1.070 0.000 2.071) 2.331 33.609 ( -0.785 -0.000 -1.443) 1.643 33.900 ( 9.337 0.000 -6.811) 11.557 34.138 ( -6.569 -0.000 2.668) 7.090 35.222 ( -0.878 -0.000 15.198) 15.224 35.935 ( 4.075 0.000 2.787) 4.937 ======================= Grid point 130 (52/117) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 13.825 11.401 2.325) 18.070 1.159 ( 5.566 -9.902 16.835) 20.309 1.392 ( 8.279 -22.232 6.181) 24.515 1.491 ( 2.348 -9.917 -7.975) 12.941 1.745 ( 12.157 -5.598 13.162) 18.772 1.936 ( -2.952 -4.041 -9.952) 11.139 2.151 ( 3.370 -8.119 -14.807) 17.220 2.309 ( 8.895 -5.063 7.926) 12.945 2.474 ( -6.388 -0.680 -8.602) 10.736 2.661 ( 5.789 3.295 3.924) 7.730 2.712 ( 3.350 -1.227 9.325) 9.984 3.001 ( 0.061 -9.300 5.400) 10.754 3.088 ( -2.994 -5.904 1.554) 6.800 3.196 ( -6.268 -5.104 -1.543) 8.229 3.539 ( -6.807 8.230 -11.436) 15.648 3.627 ( -1.118 2.141 -8.271) 8.617 3.743 ( 4.664 4.350 0.712) 6.417 3.901 ( -3.845 6.430 -5.561) 9.330 3.962 ( -3.528 1.211 6.465) 7.464 4.154 ( -3.156 2.215 1.848) 4.276 4.277 ( 0.116 0.548 0.430) 0.706 4.317 ( -6.739 -3.701 -4.942) 9.140 4.440 ( -3.157 -2.787 -2.835) 5.076 4.511 ( -3.357 -2.062 -0.770) 4.015 4.623 ( 5.385 0.346 2.230) 5.838 4.683 ( -0.323 -3.530 -3.085) 4.699 4.703 ( 4.660 0.030 1.173) 4.805 4.843 ( 3.803 0.309 2.943) 4.818 4.891 ( -2.899 -1.025 4.520) 5.467 5.009 ( 7.992 1.143 -1.517) 8.214 5.113 ( -1.168 1.798 -3.127) 3.791 5.142 ( 2.467 0.292 0.523) 2.539 5.300 ( 1.078 -3.616 -3.164) 4.925 5.528 ( 2.299 -1.027 -2.747) 3.726 5.595 ( 0.986 4.348 -0.297) 4.469 5.774 ( -0.350 0.397 5.039) 5.066 5.784 ( 4.568 5.426 -3.164) 7.767 5.905 ( 3.326 -0.985 -1.502) 3.780 6.028 ( -1.651 -1.695 3.300) 4.061 6.101 ( 1.772 5.133 5.496) 7.726 6.262 ( 1.377 3.367 2.437) 4.379 6.421 ( -2.316 2.014 1.984) 3.654 6.550 ( 0.970 5.738 1.842) 6.104 6.583 ( -6.093 2.198 -0.692) 6.514 6.690 ( -0.196 2.596 -0.310) 2.622 6.862 ( -11.338 0.449 -7.237) 13.458 6.947 ( 0.768 5.008 2.923) 5.849 7.023 ( 4.749 2.272 4.593) 6.987 7.116 ( 5.779 2.554 6.818) 9.296 7.228 ( 1.861 -3.333 -4.657) 6.022 7.579 ( 1.734 -10.129 2.102) 10.489 7.754 ( -0.441 -0.147 -0.297) 0.551 8.031 ( -6.135 3.687 -6.026) 9.356 8.187 ( 0.603 10.183 4.528) 11.161 8.362 ( -0.649 -8.205 2.807) 8.696 8.382 ( -0.862 -1.222 -0.548) 1.593 9.419 ( 0.323 -0.539 0.405) 0.748 9.550 ( -0.567 -5.033 -0.820) 5.131 9.876 ( 2.572 -0.476 2.477) 3.603 9.960 ( 0.812 -0.142 -2.135) 2.289 10.253 ( -1.787 -0.288 -3.609) 4.038 10.293 ( 1.561 1.456 1.257) 2.477 11.040 ( -5.651 -1.923 -3.214) 6.779 11.067 ( 2.257 -2.550 3.458) 4.853 12.371 ( -1.824 -1.631 -1.311) 2.776 12.557 ( 3.666 -0.920 0.617) 3.830 13.448 ( -1.366 0.780 -0.929) 1.827 13.478 ( -0.022 0.846 -0.530) 0.999 13.674 ( -8.349 0.626 -4.608) 9.557 13.940 ( 0.401 0.258 -0.429) 0.641 14.459 ( -1.753 0.463 -0.748) 1.961 14.475 ( -3.068 -0.032 -0.991) 3.224 14.559 ( -4.567 1.965 0.499) 4.997 15.044 ( -2.479 7.176 -0.385) 7.602 15.261 ( 1.289 1.859 2.102) 3.088 15.329 ( -0.113 1.254 -2.543) 2.838 15.645 ( -4.111 0.438 -0.584) 4.175 15.787 ( -0.934 0.517 -0.092) 1.072 16.282 ( 5.201 1.328 2.232) 5.813 16.328 ( 6.045 0.069 0.048) 6.046 16.517 ( -5.978 4.809 -10.356) 12.889 16.833 ( 13.538 1.846 6.802) 15.263 17.279 ( -2.566 -0.609 -3.104) 4.073 17.660 ( 1.148 6.568 1.395) 6.812 19.160 ( -12.909 1.179 -7.617) 15.035 19.820 ( -1.356 9.729 1.800) 9.987 21.124 ( 0.840 1.393 0.694) 1.769 21.341 ( 2.160 -4.714 -0.168) 5.188 25.493 ( -1.392 4.177 -2.888) 5.266 26.566 ( -3.658 25.463 -11.896) 28.342 27.378 ( 7.747 15.128 8.171) 18.859 27.518 ( 3.725 10.934 3.529) 12.078 28.424 ( 0.816 1.261 2.565) 2.972 28.480 ( 1.327 0.521 -0.645) 1.564 29.104 ( 0.742 0.428 -0.496) 0.990 29.125 ( 0.113 -0.404 0.183) 0.458 31.630 ( 0.144 -2.454 0.232) 2.470 31.694 ( -2.127 -7.203 -2.061) 7.788 32.828 ( -0.536 -0.421 -0.239) 0.723 32.899 ( -2.783 -3.875 2.070) 5.201 33.153 ( 3.054 -2.633 2.162) 4.575 33.448 ( -4.720 -4.386 -1.103) 6.537 33.611 ( 0.948 -6.914 0.905) 7.037 33.815 ( -7.216 -17.899 -8.613) 21.134 33.966 ( 5.964 -3.373 -3.044) 7.498 34.189 ( -6.251 -9.982 -2.024) 11.950 35.204 ( 2.182 2.807 13.650) 14.105 35.889 ( 1.958 6.562 1.698) 7.056 ======================= Grid point 131 (53/117) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 15.789 2.393 4.099) 16.487 1.398 ( 3.252 -7.610 2.777) 8.729 1.560 ( -9.171 -9.722 3.113) 13.723 1.787 ( 3.403 -9.178 6.078) 11.522 2.023 ( 9.357 -10.395 6.098) 15.257 2.146 ( 5.953 -19.214 -1.277) 20.156 2.320 ( 1.529 -4.570 -7.366) 8.802 2.362 ( -1.185 -6.358 -11.158) 12.897 2.533 ( -5.301 -2.481 -2.297) 6.287 2.693 ( 4.483 -10.455 1.908) 11.534 2.869 ( 3.702 -4.297 5.293) 7.757 3.041 ( -5.910 3.938 8.562) 11.124 3.177 ( 3.755 -8.406 -5.120) 10.535 3.304 ( -4.723 -5.903 -2.000) 7.820 3.444 ( -0.623 -1.024 -2.617) 2.878 3.596 ( -2.314 1.012 -5.350) 5.916 3.675 ( 7.123 4.952 1.957) 8.894 3.780 ( -0.365 4.630 -5.025) 6.843 3.865 ( -1.034 6.255 0.197) 6.343 4.126 ( -4.090 -1.546 3.346) 5.506 4.259 ( -2.257 0.203 0.014) 2.266 4.365 ( -5.531 -5.716 -2.525) 8.345 4.439 ( 0.698 5.582 3.910) 6.851 4.469 ( -5.319 -2.229 -0.916) 5.840 4.680 ( 1.602 -1.492 -1.477) 2.640 4.717 ( 4.699 1.311 1.150) 5.013 4.759 ( -3.504 -2.856 -2.883) 5.361 4.812 ( 2.455 4.304 3.064) 5.826 4.908 ( -3.979 -2.902 3.753) 6.192 5.030 ( 9.027 2.019 5.001) 10.515 5.078 ( -0.415 0.892 -4.841) 4.940 5.169 ( 2.695 -1.647 -1.660) 3.568 5.333 ( 4.624 2.129 -2.712) 5.768 5.499 ( -2.258 5.044 -3.002) 6.289 5.550 ( -0.118 1.198 -6.534) 6.644 5.705 ( 3.723 3.998 -1.187) 5.591 5.763 ( 0.614 1.594 4.848) 5.140 5.883 ( -0.734 5.662 6.687) 8.792 5.961 ( 0.488 3.475 5.918) 6.880 6.097 ( 3.316 1.784 -3.386) 5.064 6.174 ( 0.157 3.006 -1.132) 3.216 6.265 ( -6.039 7.550 -2.728) 10.046 6.477 ( 0.437 4.244 0.552) 4.302 6.524 ( -3.410 2.449 0.950) 4.304 6.667 ( 5.225 0.749 4.068) 6.664 6.803 ( -5.218 3.019 -3.441) 6.941 6.832 ( -5.383 1.756 0.753) 5.712 7.008 ( 7.035 3.138 4.372) 8.857 7.091 ( 0.952 1.109 2.607) 2.989 7.248 ( -0.816 2.840 -4.178) 5.117 7.667 ( 0.539 3.372 1.484) 3.724 7.840 ( -0.943 -9.578 -0.167) 9.626 7.971 ( -1.396 0.933 -2.918) 3.366 8.036 ( -1.000 3.313 1.951) 3.973 8.352 ( 0.608 1.822 -0.050) 1.921 8.541 ( -0.172 -7.788 2.116) 8.072 9.452 ( -1.129 -2.816 0.414) 3.062 9.630 ( -1.411 -4.222 -0.707) 4.507 9.899 ( 1.928 0.076 1.374) 2.369 9.944 ( -0.008 1.933 -1.338) 2.351 10.240 ( -0.057 1.305 -3.071) 3.338 10.269 ( 0.383 1.393 0.599) 1.564 11.057 ( -4.044 -3.004 -1.859) 5.369 11.146 ( 1.643 -3.990 2.583) 5.029 12.402 ( -0.795 -2.302 -0.873) 2.587 12.597 ( 2.307 -1.181 0.122) 2.594 13.421 ( -0.507 1.192 -0.719) 1.481 13.456 ( -0.062 1.355 -0.465) 1.433 13.613 ( -5.807 0.888 -3.049) 6.619 13.939 ( 0.936 0.387 1.034) 1.448 14.424 ( -4.501 2.253 -0.650) 5.075 14.439 ( -1.217 0.711 -0.555) 1.515 14.528 ( 0.185 0.227 1.301) 1.333 14.888 ( 0.245 7.685 0.230) 7.692 15.237 ( 0.175 0.940 1.527) 1.802 15.301 ( 0.136 1.305 -2.463) 2.791 15.615 ( -3.083 0.291 -0.447) 3.129 15.764 ( -1.344 1.035 -0.800) 1.875 16.285 ( 3.826 1.395 2.326) 4.690 16.345 ( 4.711 2.807 0.939) 5.563 16.380 ( -5.217 3.721 -8.357) 10.531 16.859 ( 10.010 3.406 5.043) 11.715 17.280 ( -1.324 -0.818 -2.223) 2.714 17.557 ( 2.138 4.924 2.249) 5.820 19.067 ( -7.973 1.422 -5.285) 9.671 19.659 ( 1.908 7.361 2.596) 8.035 21.134 ( -0.253 -1.816 1.069) 2.122 21.417 ( 0.952 -2.410 -0.384) 2.620 25.388 ( 0.609 6.103 -1.073) 6.226 26.018 ( 2.396 26.808 -2.210) 27.006 27.192 ( 3.459 7.277 7.051) 10.707 27.414 ( 2.888 6.065 -0.673) 6.751 28.421 ( 0.524 -0.049 1.080) 1.201 28.474 ( 0.868 0.780 -0.423) 1.241 29.108 ( 0.336 -0.349 -0.130) 0.502 29.133 ( -0.244 -0.433 0.189) 0.532 31.690 ( 0.299 -3.391 1.248) 3.626 31.797 ( -1.711 -5.431 -1.801) 5.973 32.844 ( 0.571 -1.150 -0.788) 1.506 32.956 ( -4.291 -4.036 1.457) 6.068 33.233 ( 4.477 -2.617 1.355) 5.360 33.476 ( -2.751 -1.310 0.633) 3.112 33.791 ( 1.394 -10.347 -1.010) 10.489 33.954 ( -0.570 -4.861 -6.842) 8.413 34.183 ( -1.596 -13.708 1.657) 13.900 34.383 ( -9.773 -13.389 -7.896) 18.361 35.158 ( 3.674 4.039 10.966) 12.250 35.733 ( -0.086 9.656 0.036) 9.656 ======================= Grid point 132 (54/117) ======================= q-point: ( 0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 12.447 -7.304 4.525) 15.125 1.487 ( -5.939 -6.349 -4.538) 9.807 1.743 ( 1.325 -8.950 6.208) 10.972 2.003 ( 2.554 -11.428 5.457) 12.919 2.186 ( 3.256 -1.901 -1.885) 4.215 2.401 ( -6.251 -11.336 -2.173) 13.127 2.437 ( 3.674 -2.677 -9.986) 10.972 2.588 ( 2.819 -13.103 0.406) 13.409 2.618 ( 0.378 -7.055 -1.143) 7.157 2.794 ( -4.830 -1.488 -1.290) 5.216 2.963 ( 4.974 -4.385 6.964) 9.616 3.036 ( 2.670 -2.703 -0.262) 3.808 3.319 ( -4.478 -0.265 -7.465) 8.710 3.382 ( 3.359 -7.689 -1.317) 8.493 3.459 ( -2.118 -0.219 0.504) 2.188 3.568 ( 0.591 0.179 1.176) 1.328 3.630 ( 0.667 1.723 3.744) 4.176 3.694 ( 3.564 4.190 -1.642) 5.740 3.816 ( -0.329 -1.852 -5.515) 5.827 4.121 ( -7.191 -1.380 0.493) 7.339 4.218 ( -1.145 5.195 0.554) 5.348 4.309 ( -1.701 3.731 7.910) 8.910 4.411 ( -3.686 2.492 6.666) 8.014 4.548 ( -0.778 -7.948 -2.317) 8.316 4.671 ( 1.864 2.623 -2.075) 3.829 4.692 ( 2.190 4.468 2.612) 5.620 4.738 ( 0.940 2.262 -3.869) 4.579 4.772 ( -0.009 0.714 -5.479) 5.526 4.943 ( -6.257 -3.521 3.711) 8.082 5.002 ( 2.226 5.018 -4.179) 6.899 5.063 ( 5.852 2.163 4.701) 7.812 5.211 ( 3.013 0.726 1.908) 3.640 5.328 ( 4.899 0.366 -5.178) 7.138 5.397 ( -1.957 1.072 0.165) 2.237 5.501 ( -3.769 2.390 -2.944) 5.346 5.640 ( 1.703 4.692 -4.565) 6.765 5.715 ( 2.991 5.342 2.093) 6.470 5.798 ( 2.409 1.835 10.204) 10.644 5.867 ( -4.534 4.906 3.280) 7.442 6.071 ( 1.464 0.917 -3.659) 4.046 6.129 ( -2.815 0.900 -4.981) 5.791 6.193 ( 1.899 0.562 4.031) 4.491 6.341 ( -0.463 8.711 -2.240) 9.007 6.503 ( -2.240 -2.424 2.110) 3.917 6.637 ( -2.597 5.717 3.112) 7.008 6.699 ( 0.150 2.497 -1.144) 2.751 6.856 ( -0.637 -3.345 -1.244) 3.625 7.001 ( 5.681 1.743 2.567) 6.473 7.093 ( 0.983 3.310 5.654) 6.625 7.126 ( -4.639 1.736 -8.600) 9.925 7.604 ( 1.311 3.681 1.306) 4.120 7.885 ( 4.184 1.568 1.348) 4.666 7.988 ( -3.169 2.159 -0.734) 3.904 8.069 ( -3.603 -7.751 -3.890) 9.392 8.333 ( 2.500 0.571 4.535) 5.209 8.654 ( -0.657 -4.355 -0.741) 4.466 9.505 ( -1.259 -3.463 0.861) 3.784 9.699 ( -1.506 -3.919 -1.254) 4.382 9.865 ( 0.354 3.751 -0.465) 3.796 9.922 ( 0.931 0.734 0.898) 1.488 10.200 ( 0.682 2.696 -0.987) 2.951 10.253 ( -0.273 0.351 -1.478) 1.543 11.095 ( -2.012 -2.737 -0.322) 3.413 11.231 ( 0.722 -3.876 1.499) 4.218 12.441 ( 0.121 -1.866 -0.340) 1.900 12.627 ( 0.860 -0.850 -0.333) 1.254 13.396 ( 0.317 1.440 0.369) 1.520 13.429 ( -0.119 1.133 -0.908) 1.457 13.567 ( -2.575 1.047 -0.970) 2.944 13.932 ( 0.384 0.900 1.597) 1.873 14.363 ( -1.917 1.538 0.022) 2.458 14.414 ( -0.219 1.460 0.105) 1.481 14.533 ( -0.205 -0.522 0.588) 0.813 14.765 ( -0.772 4.838 -1.374) 5.088 15.235 ( 0.522 -0.515 1.672) 1.826 15.289 ( 0.211 -0.196 -1.794) 1.817 15.598 ( -1.651 -0.211 -0.300) 1.691 15.734 ( -1.232 1.057 -1.226) 2.034 16.249 ( -1.951 4.076 -3.465) 5.694 16.278 ( 1.720 1.331 1.491) 2.637 16.353 ( 2.515 1.508 -0.382) 2.957 16.833 ( 3.978 3.852 1.763) 5.811 17.289 ( 0.651 -0.274 -0.211) 0.737 17.496 ( 1.531 2.994 1.330) 3.616 19.003 ( -3.092 1.495 -2.258) 4.110 19.553 ( 0.443 4.852 0.290) 4.881 21.179 ( 0.027 -2.696 1.538) 3.103 21.451 ( 0.101 -0.920 -0.704) 1.163 25.279 ( 1.093 5.603 0.286) 5.716 25.615 ( 1.082 16.560 -1.014) 16.626 27.112 ( 1.470 3.315 3.733) 5.204 27.309 ( 1.363 5.995 -1.082) 6.242 28.426 ( 0.436 -0.059 0.352) 0.563 28.463 ( 0.344 0.709 -0.245) 0.825 29.116 ( 0.116 -0.279 0.130) 0.329 29.138 ( -0.333 -0.255 -0.004) 0.420 31.752 ( 0.109 -2.705 2.398) 3.616 31.887 ( -0.630 -4.672 -2.177) 5.193 32.875 ( 1.295 -1.381 -0.440) 1.944 32.995 ( -5.043 -3.146 0.432) 5.960 33.297 ( 4.917 -0.812 1.146) 5.114 33.467 ( -1.975 0.617 1.256) 2.421 33.974 ( -0.051 -7.496 -3.572) 8.303 34.092 ( 2.421 -8.915 -2.822) 9.660 34.420 ( -1.277 -11.653 0.958) 11.762 34.533 ( -8.117 -8.579 -5.095) 12.863 35.112 ( 3.945 3.352 8.300) 9.783 35.548 ( -1.539 8.546 -0.908) 8.731 ======================= Grid point 133 (55/117) ======================= q-point: ( 0.60 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 9.129 -7.809 4.552) 12.847 1.596 ( -4.256 -7.815 -3.248) 9.473 1.905 ( 1.083 -6.646 -2.278) 7.109 2.135 ( -1.176 5.364 -2.916) 6.217 2.201 ( 4.143 -4.643 2.025) 6.544 2.497 ( 5.016 -0.456 -6.107) 7.917 2.580 ( -7.400 -10.579 -1.979) 13.062 2.691 ( -1.037 -4.816 2.100) 5.356 2.766 ( 2.005 -2.842 -6.617) 7.476 2.845 ( -5.725 -0.321 -0.952) 5.813 3.054 ( 0.972 -13.007 5.695) 14.233 3.141 ( 8.124 0.601 6.137) 10.199 3.282 ( -1.369 2.286 -3.071) 4.066 3.338 ( -3.469 5.717 1.673) 6.893 3.478 ( -2.760 -2.255 -3.491) 4.989 3.552 ( 1.084 3.380 4.238) 5.528 3.674 ( 7.653 2.830 -1.037) 8.225 3.735 ( 0.036 -7.424 0.110) 7.425 3.901 ( -0.038 -6.661 -4.801) 8.211 4.046 ( -0.064 8.758 1.121) 8.830 4.078 ( -3.492 2.790 2.682) 5.213 4.319 ( -7.385 -2.182 2.086) 7.978 4.344 ( -2.942 -2.862 6.643) 7.809 4.523 ( 3.316 10.264 3.962) 11.491 4.568 ( -0.165 1.884 -2.531) 3.159 4.681 ( 1.837 2.036 -4.054) 4.894 4.755 ( -1.202 -2.101 -4.155) 4.809 4.777 ( 1.350 -1.525 -3.099) 3.709 4.925 ( 1.286 2.777 -2.516) 3.961 4.974 ( -3.424 -2.378 3.084) 5.186 5.048 ( 4.250 2.333 1.474) 5.067 5.214 ( 3.523 -0.518 4.187) 5.497 5.316 ( -3.703 4.661 -1.629) 6.172 5.399 ( 3.050 0.089 -4.183) 5.178 5.454 ( -1.131 0.135 -5.048) 5.175 5.580 ( 0.822 3.897 1.972) 4.444 5.642 ( 1.362 1.287 4.422) 4.803 5.789 ( -2.848 -0.162 1.091) 3.054 5.815 ( 1.767 -0.837 8.124) 8.356 6.057 ( 0.111 1.329 -2.723) 3.032 6.117 ( -0.740 -0.410 -3.071) 3.185 6.181 ( 0.057 6.290 -2.273) 6.688 6.189 ( 0.178 1.653 0.602) 1.768 6.506 ( -7.697 2.178 0.693) 8.029 6.596 ( 7.202 -0.844 4.150) 8.355 6.622 ( -2.859 1.448 -1.235) 3.435 6.915 ( 1.807 -1.512 0.276) 2.372 6.961 ( -3.579 2.858 -0.213) 4.585 7.037 ( 1.445 -0.660 3.740) 4.063 7.183 ( 1.405 -4.420 -5.668) 7.323 7.544 ( 2.178 3.669 2.119) 4.764 7.861 ( 0.839 4.352 -0.175) 4.435 7.921 ( -1.956 1.032 -0.430) 2.253 8.128 ( -2.358 -1.086 -5.998) 6.536 8.380 ( 2.660 -2.958 7.615) 8.592 8.705 ( -0.875 -1.760 -2.811) 3.430 9.566 ( -0.506 -3.372 1.526) 3.736 9.744 ( -2.671 -1.085 -3.223) 4.324 9.809 ( 2.230 1.586 2.112) 3.457 9.905 ( 0.181 1.455 0.245) 1.486 10.154 ( 0.535 2.280 -0.049) 2.342 10.251 ( -0.304 -0.471 -2.490) 2.552 11.130 ( -0.054 -1.465 1.182) 1.883 11.296 ( -0.504 -2.589 0.192) 2.645 12.472 ( 1.032 -0.966 0.313) 1.448 12.638 ( -0.522 -0.154 -0.791) 0.960 13.369 ( -0.051 1.364 0.782) 1.573 13.416 ( 0.213 0.244 -1.121) 1.167 13.544 ( 1.115 0.851 1.699) 2.203 13.910 ( -1.380 0.947 0.593) 1.776 14.343 ( -0.122 0.142 0.044) 0.192 14.383 ( 0.844 1.789 1.042) 2.235 14.540 ( -1.271 -0.630 -0.365) 1.465 14.694 ( -2.610 1.573 -2.621) 4.019 15.258 ( 1.149 -1.050 1.624) 2.249 15.306 ( 0.532 -1.074 -1.235) 1.721 15.605 ( -0.003 -1.110 0.005) 1.110 15.713 ( -0.607 0.325 -1.150) 1.341 16.184 ( -0.828 1.701 -1.758) 2.582 16.259 ( 0.137 1.409 0.936) 1.697 16.335 ( 3.082 2.093 0.984) 3.854 16.772 ( -1.989 2.902 -1.638) 3.881 17.294 ( 2.094 0.754 1.684) 2.791 17.456 ( 0.294 1.986 0.419) 2.051 18.971 ( 1.262 1.169 0.883) 1.934 19.476 ( -2.514 2.393 -2.246) 4.135 21.233 ( 1.111 -2.324 1.823) 3.156 21.456 ( -0.718 0.017 -1.066) 1.285 25.198 ( 1.022 3.354 0.939) 3.630 25.385 ( -0.533 8.039 -1.054) 8.125 27.079 ( 0.817 1.016 2.032) 2.414 27.213 ( 0.196 4.223 -1.074) 4.362 28.428 ( 0.359 0.023 0.024) 0.360 28.451 ( -0.036 0.556 -0.238) 0.606 29.120 ( -0.004 -0.171 0.351) 0.391 29.140 ( -0.174 -0.131 -0.157) 0.268 31.792 ( -0.136 -1.298 3.108) 3.371 31.957 ( -0.023 -2.727 -2.730) 3.859 32.910 ( 1.560 -1.259 0.444) 2.053 33.020 ( -4.030 -2.669 -0.596) 4.870 33.327 ( 4.452 0.663 0.797) 4.571 33.434 ( -2.207 1.325 1.035) 2.775 34.081 ( 0.264 -3.768 -2.076) 4.310 34.259 ( 0.981 -6.152 -3.809) 7.302 34.563 ( -5.079 -4.513 0.924) 6.857 34.656 ( 1.473 -7.341 -2.979) 8.058 35.091 ( 2.721 1.147 7.223) 7.804 35.407 ( -1.978 4.641 -1.411) 5.238 ======================= Grid point 134 (56/117) ======================= q-point: (-0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 4.703 0.620 6.493) 8.041 1.692 ( 1.072 -2.473 -3.951) 4.782 1.932 ( -5.894 3.284 -4.876) 8.324 2.046 ( -2.347 0.854 -8.135) 8.510 2.256 ( 9.293 3.347 4.635) 10.911 2.470 ( 5.334 7.703 -2.176) 9.619 2.582 ( -4.551 5.843 -3.239) 8.083 2.744 ( -1.519 -5.654 -5.770) 8.220 2.861 ( -2.831 -7.520 1.368) 8.151 2.927 ( -4.057 -8.073 -0.634) 9.057 3.065 ( 1.806 9.912 8.775) 13.361 3.205 ( -1.098 -1.322 0.873) 1.928 3.232 ( 1.759 1.979 1.094) 2.865 3.375 ( 2.926 -6.806 -1.108) 7.490 3.462 ( 0.361 4.746 6.242) 7.850 3.539 ( -4.866 -6.549 -1.657) 8.326 3.601 ( 3.252 7.477 -1.812) 8.353 3.785 ( 0.065 2.091 0.772) 2.229 3.910 ( 1.136 1.889 1.070) 2.450 4.015 ( -3.167 0.055 1.581) 3.540 4.088 ( 1.998 -7.489 -3.381) 8.456 4.256 ( -11.001 -1.239 -8.308) 13.841 4.421 ( 9.577 4.960 8.035) 13.450 4.454 ( -1.389 -3.025 6.415) 7.227 4.595 ( 4.315 -4.322 1.676) 6.333 4.678 ( 0.136 -2.094 -1.722) 2.714 4.734 ( -2.550 0.517 -4.212) 4.951 4.815 ( 2.355 0.776 -1.336) 2.817 4.901 ( 1.513 -0.536 -1.867) 2.462 4.991 ( -2.654 0.290 -1.275) 2.959 5.052 ( 6.803 0.452 2.741) 7.348 5.140 ( -9.069 5.174 -3.099) 10.891 5.295 ( 0.450 -3.645 3.494) 5.069 5.414 ( 3.365 1.149 -1.883) 4.024 5.436 ( -0.583 -0.233 -9.478) 9.499 5.484 ( -1.485 5.167 -2.422) 5.896 5.637 ( -0.781 -0.017 9.216) 9.249 5.823 ( -1.844 -2.137 9.537) 9.946 5.879 ( 3.393 -4.898 0.976) 6.038 6.032 ( -0.051 0.611 -3.197) 3.256 6.080 ( 1.981 4.750 0.340) 5.158 6.128 ( -0.261 -1.048 -2.824) 3.024 6.145 ( -1.881 2.548 -0.301) 3.182 6.457 ( -7.314 -2.446 -2.736) 8.183 6.545 ( 0.829 2.324 4.469) 5.104 6.705 ( 4.515 -1.532 0.647) 4.812 6.910 ( -1.243 0.492 0.993) 1.665 6.938 ( 0.068 -0.027 1.927) 1.929 7.052 ( 0.777 0.565 2.122) 2.330 7.271 ( 1.090 -3.501 -5.824) 6.882 7.500 ( 2.646 2.303 2.659) 4.402 7.769 ( -4.021 2.338 -2.996) 5.532 7.926 ( 1.391 -1.016 1.470) 2.264 8.124 ( -0.963 -0.721 -5.424) 5.556 8.445 ( 0.773 -1.822 6.696) 6.982 8.717 ( -0.436 -0.241 -4.083) 4.113 9.627 ( -0.240 -3.100 1.970) 3.681 9.712 ( 0.167 2.033 -0.966) 2.257 9.825 ( 0.824 -0.400 0.684) 1.143 9.876 ( -0.576 0.970 -0.215) 1.149 10.126 ( 0.783 0.995 0.704) 1.449 10.263 ( -0.705 -1.102 -3.310) 3.559 11.147 ( 1.548 0.353 2.460) 2.928 11.320 ( -1.811 -0.728 -1.213) 2.298 12.491 ( 2.013 -0.074 0.959) 2.230 12.625 ( -1.737 0.696 -1.264) 2.258 13.351 ( -0.055 0.409 0.859) 0.953 13.419 ( -0.241 -0.502 -1.528) 1.626 13.552 ( 4.803 0.249 4.476) 6.570 13.884 ( -3.428 0.200 -1.005) 3.578 14.346 ( 1.243 -0.125 0.484) 1.340 14.375 ( 1.023 -0.676 1.273) 1.767 14.540 ( -1.937 -0.365 -0.975) 2.199 14.663 ( -3.994 -0.312 -2.966) 4.985 15.281 ( 0.974 -0.434 0.935) 1.418 15.326 ( 0.706 -0.498 -1.264) 1.531 15.640 ( 1.585 -1.873 0.660) 2.541 15.718 ( 0.369 -0.876 -0.729) 1.197 16.166 ( -0.353 0.090 -0.706) 0.794 16.228 ( -1.410 1.320 0.025) 1.931 16.320 ( 5.045 2.014 2.963) 6.187 16.705 ( -6.502 1.131 -4.480) 7.977 17.287 ( 3.021 1.572 3.066) 4.583 17.423 ( -0.796 1.307 -0.196) 1.543 18.978 ( 5.148 0.190 3.991) 6.517 19.429 ( -5.608 -0.236 -4.423) 7.146 21.280 ( 2.264 -1.336 1.822) 3.199 21.442 ( -1.621 0.732 -1.388) 2.256 25.169 ( 1.233 0.391 1.338) 1.861 25.289 ( -1.451 1.598 -1.033) 2.393 27.082 ( 0.452 -0.713 1.094) 1.382 27.156 ( -0.298 1.516 -0.937) 1.807 28.430 ( 0.188 0.006 -0.092) 0.209 28.442 ( -0.147 0.354 -0.330) 0.506 29.123 ( -0.044 -0.146 0.463) 0.488 29.141 ( 0.034 -0.061 -0.188) 0.201 31.801 ( -0.220 0.402 3.283) 3.314 31.984 ( 0.238 0.019 -3.200) 3.209 32.938 ( 0.575 -0.796 1.771) 2.025 33.051 ( -1.556 -2.471 -1.772) 3.416 33.335 ( 4.504 1.406 0.406) 4.736 33.391 ( -3.540 1.080 0.709) 3.769 34.110 ( 1.206 1.375 -0.198) 1.840 34.309 ( -2.813 0.301 -5.729) 6.389 34.583 ( -0.688 0.052 4.091) 4.149 34.778 ( 3.983 -3.140 -4.646) 6.878 35.112 ( -0.448 -2.303 7.077) 7.456 35.350 ( -1.226 0.178 -1.847) 2.224 ======================= Grid point 135 (57/117) ======================= q-point: (-0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 0.790 7.524 9.867) 12.433 1.678 ( 1.807 5.563 -4.916) 7.641 1.797 ( -4.284 6.991 -1.367) 8.313 1.953 ( -1.354 7.381 -6.564) 9.970 2.213 ( 3.548 4.465 -2.052) 6.061 2.311 ( 4.827 8.900 7.362) 12.518 2.479 ( 2.198 6.655 -8.678) 11.155 2.770 ( 2.064 2.321 -0.280) 3.119 2.848 ( -0.308 10.835 8.702) 13.900 2.942 ( -6.888 -4.206 2.090) 8.337 3.091 ( 0.977 0.590 2.014) 2.315 3.135 ( -2.309 -2.481 -2.903) 4.463 3.276 ( 0.145 -0.453 -1.456) 1.531 3.397 ( 3.844 1.306 1.748) 4.420 3.442 ( -1.733 -1.493 -6.959) 7.325 3.490 ( 0.361 4.020 -1.529) 4.316 3.605 ( -6.527 0.048 -1.680) 6.740 3.727 ( 1.784 3.128 0.920) 3.716 3.981 ( 6.163 -5.949 3.212) 9.148 4.036 ( -0.465 -3.842 3.883) 5.482 4.138 ( -8.865 0.532 -0.136) 8.882 4.303 ( 2.819 -3.658 -3.515) 5.804 4.417 ( -0.432 3.453 4.330) 5.555 4.448 ( 4.711 -3.548 3.457) 6.836 4.643 ( -0.947 -0.319 -4.457) 4.568 4.714 ( -0.261 0.634 1.069) 1.270 4.785 ( -0.799 -5.256 -1.793) 5.610 4.853 ( 2.774 -1.261 -1.027) 3.215 4.874 ( -2.625 3.487 -3.713) 5.730 4.939 ( 0.143 -1.288 1.799) 2.217 5.074 ( -2.133 -2.016 -5.633) 6.352 5.139 ( 5.010 -3.615 0.536) 6.201 5.313 ( -3.264 1.799 1.729) 4.109 5.393 ( -3.157 1.069 -0.631) 3.393 5.416 ( 2.798 -0.908 -2.444) 3.824 5.483 ( -0.604 -3.984 -7.452) 8.472 5.649 ( -0.170 -0.350 7.187) 7.198 5.840 ( -1.512 -0.261 6.886) 7.055 5.981 ( 7.109 -1.105 -0.161) 7.196 6.029 ( -1.588 0.347 3.851) 4.180 6.052 ( 1.984 -2.568 4.709) 5.719 6.109 ( 0.712 -0.178 -1.746) 1.894 6.155 ( -1.054 -2.906 -2.467) 3.955 6.471 ( -10.325 -3.973 -6.658) 12.912 6.527 ( 2.097 1.101 7.692) 8.048 6.740 ( 2.042 -0.859 0.904) 2.393 6.872 ( 0.672 2.401 1.350) 2.836 6.959 ( 0.623 -1.286 0.464) 1.503 7.030 ( 1.206 1.777 2.773) 3.508 7.317 ( -0.719 -1.614 -6.204) 6.451 7.505 ( 4.122 -0.889 3.604) 5.547 7.731 ( -6.238 -1.127 -5.481) 8.380 7.970 ( 2.541 -1.997 3.298) 4.618 8.154 ( 0.304 -2.675 -5.481) 6.106 8.455 ( -1.799 0.493 5.326) 5.643 8.705 ( -0.695 1.334 -5.236) 5.448 9.667 ( -0.184 -0.006 1.721) 1.730 9.691 ( 0.626 -0.043 0.761) 0.986 9.806 ( 2.236 2.362 1.170) 3.457 9.882 ( -1.632 -1.776 -1.283) 2.732 10.131 ( 1.251 -0.824 1.398) 2.049 10.280 ( -1.321 -1.446 -3.901) 4.365 11.137 ( 2.710 2.175 3.478) 4.916 11.302 ( -2.862 0.992 -2.485) 3.918 12.501 ( 2.956 0.753 1.429) 3.368 12.589 ( -2.661 1.528 -1.696) 3.506 13.356 ( 0.302 -0.886 0.868) 1.277 13.429 ( -0.865 -0.957 -1.990) 2.372 13.601 ( 8.103 -1.064 6.725) 10.584 13.860 ( -4.932 -0.464 -2.220) 5.428 14.378 ( 1.755 -2.307 1.170) 3.126 14.416 ( 2.183 -2.549 1.819) 3.817 14.530 ( -2.169 -0.063 -1.142) 2.452 14.646 ( -5.990 -1.265 -3.271) 6.941 15.286 ( 0.419 0.422 -0.130) 0.609 15.330 ( 0.374 0.353 -1.674) 1.752 15.689 ( 2.009 -1.840 1.562) 3.140 15.746 ( 0.826 -1.558 -0.550) 1.847 16.160 ( -1.511 0.202 -0.543) 1.618 16.196 ( -1.584 0.899 -0.783) 1.983 16.338 ( 8.793 0.446 5.332) 10.293 16.649 ( -9.249 -0.618 -6.658) 11.413 17.281 ( 4.288 1.412 4.181) 6.153 17.395 ( -1.396 0.848 -0.585) 1.734 19.033 ( 8.898 -1.204 7.203) 11.512 19.411 ( -8.602 -2.554 -6.211) 10.913 21.310 ( 2.836 0.038 1.646) 3.279 21.407 ( -2.436 1.546 -1.777) 3.389 25.203 ( 2.599 -2.887 2.187) 4.458 25.295 ( -2.289 -3.244 -1.076) 4.114 27.100 ( -0.848 -0.949 0.952) 1.589 27.161 ( 0.680 -2.086 -1.177) 2.490 28.429 ( -0.278 0.145 -0.090) 0.326 28.438 ( 0.249 -0.025 -0.415) 0.485 29.125 ( -0.135 0.009 0.482) 0.501 29.142 ( 0.190 0.065 -0.145) 0.247 31.778 ( -0.057 1.918 2.914) 3.489 31.959 ( 0.488 2.495 -3.574) 4.386 32.944 ( -1.645 -0.026 2.823) 3.268 33.090 ( 1.609 -1.416 -2.454) 3.259 33.296 ( -0.726 3.996 2.117) 4.580 33.391 ( 0.462 -2.326 -1.299) 2.704 34.043 ( 2.107 6.548 1.015) 6.953 34.223 ( -3.755 5.768 -6.717) 9.617 34.549 ( 1.127 4.079 6.234) 7.535 34.828 ( 4.617 0.083 -5.413) 7.115 35.166 ( -5.237 -4.306 5.866) 8.966 35.380 ( 0.644 -3.468 -2.090) 4.100 ======================= Grid point 136 (58/117) ======================= q-point: (-0.10 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -6.046 10.375 11.387) 16.548 1.462 ( -6.293 11.645 1.856) 13.366 1.656 ( 13.997 12.039 4.188) 18.931 1.841 ( 0.097 3.183 -1.069) 3.359 2.071 ( 0.569 11.080 3.298) 11.575 2.249 ( 3.925 3.104 -6.858) 8.489 2.331 ( 3.883 9.123 -5.111) 11.155 2.634 ( -1.193 14.190 -0.332) 14.243 2.670 ( -2.614 7.445 7.635) 10.979 2.882 ( 1.743 8.438 4.183) 9.578 3.052 ( -1.380 2.582 -5.644) 6.358 3.118 ( -4.662 -0.860 -2.523) 5.370 3.281 ( -0.128 6.652 4.443) 8.000 3.366 ( -0.823 1.724 -8.647) 8.856 3.418 ( -2.002 2.492 -3.515) 4.751 3.488 ( 1.375 -5.667 -2.370) 6.295 3.594 ( 0.573 -4.210 0.690) 4.304 3.719 ( -2.890 -3.481 -3.023) 5.441 3.971 ( -6.113 5.998 1.833) 8.758 4.086 ( 11.837 1.839 3.628) 12.517 4.241 ( 1.501 -10.884 3.894) 11.656 4.360 ( 0.911 -2.199 3.067) 3.883 4.375 ( -3.141 -0.767 0.985) 3.380 4.588 ( -0.144 -4.218 2.970) 5.161 4.637 ( 1.374 -0.807 -3.445) 3.795 4.688 ( -2.993 0.582 -1.862) 3.573 4.795 ( -1.994 0.348 -6.501) 6.809 4.817 ( -0.488 -0.463 -6.246) 6.282 4.920 ( 2.001 1.218 -3.507) 4.217 4.986 ( -2.184 -2.654 1.699) 3.834 5.056 ( -1.067 1.049 -0.417) 1.553 5.231 ( 4.650 -2.256 -0.082) 5.169 5.292 ( -4.891 1.139 0.469) 5.044 5.376 ( -2.300 -5.241 1.235) 5.855 5.499 ( -0.768 -2.431 -2.399) 3.501 5.568 ( 8.037 -6.190 -4.769) 11.209 5.623 ( -0.256 2.985 4.830) 5.683 5.832 ( -0.725 -0.579 1.308) 1.604 5.980 ( -5.107 0.841 -0.200) 5.179 6.064 ( 3.105 -1.565 7.505) 8.271 6.110 ( 0.011 -0.086 0.358) 0.369 6.189 ( 10.201 -7.353 6.798) 14.295 6.277 ( 1.139 -9.079 -0.232) 9.153 6.482 ( -10.084 -4.666 -6.953) 13.107 6.520 ( 2.630 1.448 9.600) 10.058 6.758 ( -2.086 -1.080 -1.068) 2.581 6.868 ( 0.206 -1.766 2.586) 3.138 6.991 ( 0.460 -1.088 -0.506) 1.285 7.017 ( 1.903 0.396 4.075) 4.515 7.326 ( -2.442 -0.431 -6.916) 7.347 7.591 ( 4.401 -4.362 4.046) 7.400 7.724 ( -3.708 -2.733 -5.192) 6.941 8.015 ( 1.906 -0.489 2.739) 3.373 8.200 ( -0.387 -1.048 -7.210) 7.296 8.419 ( -4.195 0.860 4.016) 5.871 8.640 ( -2.480 4.357 -5.716) 7.603 9.636 ( -2.148 2.855 0.968) 3.702 9.672 ( 0.919 2.408 0.766) 2.689 9.806 ( 4.160 0.040 3.131) 5.207 9.911 ( -1.490 -2.331 -2.287) 3.590 10.170 ( 1.308 -2.250 1.857) 3.197 10.299 ( -1.935 -1.691 -4.056) 4.801 11.103 ( 3.466 3.360 4.218) 6.411 11.250 ( -3.554 2.058 -3.449) 5.363 12.501 ( 3.629 1.474 1.627) 4.242 12.535 ( -3.075 2.147 -1.964) 4.234 13.388 ( 0.511 -2.031 0.641) 2.190 13.443 ( -0.904 -1.169 -1.858) 2.374 13.699 ( 9.855 -2.929 7.169) 12.534 13.838 ( -5.438 -0.736 -3.003) 6.256 14.444 ( 1.993 -2.819 1.564) 3.790 14.509 ( 5.683 -1.799 5.992) 8.452 14.520 ( -2.531 -3.633 -2.472) 5.072 14.638 ( -9.209 -3.211 -3.726) 10.440 15.273 ( 0.221 1.067 -0.877) 1.399 15.320 ( -0.627 0.298 -2.468) 2.564 15.728 ( -0.381 -1.371 1.492) 2.061 15.778 ( 0.374 -1.215 -0.160) 1.281 16.142 ( -0.305 0.679 -0.081) 0.749 16.179 ( 0.928 0.418 -0.573) 1.168 16.416 ( 11.288 -1.655 6.291) 13.029 16.610 ( -10.102 -1.947 -8.035) 13.054 17.300 ( 5.844 -0.135 4.949) 7.660 17.373 ( -1.059 0.492 -0.664) 1.344 19.147 ( 13.299 -3.491 10.919) 17.558 19.409 ( -11.638 -3.874 -7.543) 14.400 21.299 ( -1.062 2.455 0.326) 2.695 21.363 ( 0.778 1.677 -1.417) 2.329 25.326 ( 4.636 -7.572 3.544) 9.560 25.378 ( -0.826 -6.899 -0.479) 6.965 27.115 ( -1.650 -1.539 1.251) 2.580 27.230 ( 1.900 -3.990 -1.561) 4.687 28.422 ( -0.306 0.339 0.038) 0.458 28.444 ( 0.428 -0.297 -0.452) 0.690 29.120 ( -0.281 0.394 0.419) 0.640 29.140 ( 0.277 0.337 -0.063) 0.441 31.733 ( 0.260 2.845 2.089) 3.539 31.899 ( 0.762 3.954 -3.994) 5.672 32.921 ( -3.216 0.761 2.853) 4.366 33.112 ( 3.602 1.216 -1.998) 4.295 33.202 ( -3.534 3.881 4.400) 6.849 33.460 ( 1.644 -3.701 -3.034) 5.060 33.900 ( 2.909 9.582 1.573) 10.137 34.061 ( -2.223 8.299 -7.435) 11.362 34.441 ( -0.064 7.619 7.560) 10.733 34.830 ( 3.530 2.814 -8.967) 10.039 35.194 ( -11.534 -3.861 6.558) 13.818 35.490 ( 3.298 -6.744 -1.629) 7.682 ======================= Grid point 140 (59/117) ======================= q-point: ( 0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 11.315 0.000 20.665) 23.559 1.167 ( 12.735 0.000 -3.441) 13.191 1.188 ( 15.638 0.000 10.239) 18.692 1.395 ( 4.528 0.000 -11.297) 12.170 1.764 ( 11.101 0.000 9.564) 14.653 1.915 ( 4.271 0.000 -12.004) 12.741 2.021 ( -5.879 -0.000 -5.299) 7.915 2.295 ( 6.691 0.000 -5.014) 8.362 2.508 ( -8.852 -0.000 -9.143) 12.726 2.712 ( 15.447 0.000 14.149) 20.947 2.820 ( -0.444 -0.000 7.616) 7.629 2.850 ( -1.637 -0.000 7.599) 7.773 2.929 ( -5.544 -0.000 5.811) 8.032 3.120 ( -6.579 -0.000 -1.724) 6.801 3.558 ( -14.912 -0.000 -9.263) 17.555 3.687 ( 7.664 0.000 -17.364) 18.980 3.794 ( 4.032 0.000 5.978) 7.211 3.890 ( -14.462 -0.000 -1.880) 14.584 4.003 ( 2.624 0.000 0.294) 2.640 4.119 ( -3.568 -0.000 -5.430) 6.497 4.266 ( -1.088 -0.000 2.398) 2.633 4.284 ( -4.511 -0.000 -3.595) 5.768 4.388 ( -0.292 -0.000 0.440) 0.528 4.468 ( 3.306 0.000 1.081) 3.478 4.626 ( -1.540 -0.000 -1.281) 2.002 4.664 ( -1.247 -0.000 -3.838) 4.035 4.803 ( 6.000 0.000 -0.270) 6.006 4.818 ( 1.037 0.000 0.560) 1.179 4.876 ( -0.656 -0.000 7.692) 7.720 5.080 ( 9.094 0.000 -5.341) 10.546 5.113 ( 1.749 0.000 2.111) 2.742 5.192 ( -3.685 -0.000 -4.938) 6.161 5.234 ( 8.293 0.000 3.384) 8.956 5.524 ( 0.104 0.000 -2.039) 2.042 5.631 ( -2.371 -0.000 -3.515) 4.240 5.812 ( 4.654 0.000 10.708) 11.676 5.889 ( 6.357 0.000 -0.815) 6.409 5.895 ( 1.836 0.000 -5.377) 5.682 5.997 ( 0.324 0.000 3.641) 3.655 6.146 ( -2.248 -0.000 6.648) 7.018 6.315 ( 3.674 0.000 3.186) 4.863 6.465 ( 3.970 0.000 3.135) 5.058 6.498 ( -10.273 -0.000 -2.287) 10.525 6.673 ( -0.466 -0.000 4.026) 4.053 6.680 ( -3.355 -0.000 -3.653) 4.960 6.802 ( -10.080 -0.000 -6.011) 11.737 6.997 ( -3.271 -0.000 -3.354) 4.685 7.050 ( 2.805 0.000 3.462) 4.455 7.110 ( -0.172 -0.000 -2.366) 2.372 7.295 ( 11.621 0.000 10.620) 15.743 7.497 ( 3.068 0.000 3.882) 4.949 7.757 ( 1.881 0.000 -0.788) 2.040 8.061 ( -10.932 -0.000 -2.511) 11.216 8.206 ( 2.303 0.000 1.040) 2.527 8.296 ( -2.317 -0.000 2.318) 3.278 8.385 ( 0.592 0.000 -2.032) 2.116 9.449 ( 0.474 0.000 2.125) 2.177 9.471 ( 0.856 0.000 -2.113) 2.280 9.889 ( 2.389 0.000 2.340) 3.344 9.963 ( 1.444 0.000 -1.895) 2.382 10.240 ( -0.772 -0.000 -3.020) 3.117 10.319 ( 1.571 0.000 0.211) 1.585 10.984 ( -5.217 -0.000 -2.471) 5.772 11.053 ( 1.059 0.000 2.677) 2.879 12.346 ( -0.804 -0.000 -0.471) 0.932 12.568 ( 2.728 0.000 -0.173) 2.734 13.445 ( -1.558 -0.000 -1.074) 1.892 13.484 ( -0.280 -0.000 -1.030) 1.068 13.631 ( -6.384 -0.000 -2.886) 7.006 13.938 ( -0.559 -0.000 -0.673) 0.875 14.451 ( -2.189 -0.000 -1.014) 2.413 14.464 ( -0.955 -0.000 -0.330) 1.010 14.552 ( -3.298 -0.000 0.935) 3.428 15.076 ( -5.983 -0.000 -4.111) 7.259 15.297 ( 1.165 0.000 2.062) 2.368 15.339 ( 0.060 0.000 -1.757) 1.758 15.630 ( -2.777 -0.000 -0.091) 2.778 15.784 ( -1.496 -0.000 -0.821) 1.706 16.323 ( 3.040 0.000 2.043) 3.663 16.361 ( 5.233 0.000 0.125) 5.234 16.535 ( -3.925 -0.000 -10.615) 11.317 16.936 ( 11.637 0.000 5.841) 13.021 17.257 ( -1.614 -0.000 -2.472) 2.952 17.720 ( -3.054 -0.000 0.961) 3.201 19.096 ( -9.859 -0.000 -6.010) 11.546 19.868 ( -10.203 -0.000 -4.209) 11.037 21.177 ( 0.253 0.000 1.055) 1.085 21.282 ( 3.133 0.000 0.612) 3.192 25.533 ( 1.286 0.000 -1.741) 2.165 26.712 ( -12.511 -0.000 -17.670) 21.651 27.523 ( 5.681 0.000 -0.141) 5.683 27.758 ( -9.656 -0.000 9.310) 13.413 28.458 ( -0.927 -0.000 5.315) 5.395 28.495 ( 1.645 0.000 -0.635) 1.764 29.114 ( -0.204 -0.000 0.352) 0.407 29.129 ( 0.393 0.000 -1.207) 1.270 31.586 ( 0.304 0.000 0.115) 0.325 31.607 ( 0.105 0.000 -0.293) 0.311 32.828 ( 1.267 0.000 -2.912) 3.176 32.852 ( -0.068 -0.000 -0.253) 0.262 33.141 ( 2.725 0.000 1.899) 3.321 33.319 ( -2.820 -0.000 -0.559) 2.875 33.548 ( 0.746 0.000 1.839) 1.984 33.601 ( -0.328 -0.000 -1.072) 1.121 34.016 ( 9.541 0.000 -11.199) 14.712 34.050 ( -7.424 -0.000 3.690) 8.291 35.257 ( 3.961 0.000 14.660) 15.185 35.964 ( 0.287 0.000 1.508) 1.535 ======================= Grid point 141 (60/117) ======================= q-point: ( 0.40 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 17.136 8.791 7.809) 20.782 1.268 ( 11.267 -6.952 9.210) 16.127 1.409 ( -3.437 -1.935 -5.843) 7.050 1.557 ( 6.363 -16.232 4.512) 18.009 1.904 ( 9.006 -7.069 6.414) 13.123 1.934 ( 5.837 -5.847 0.574) 8.282 2.184 ( 2.830 -12.707 -10.753) 16.885 2.306 ( -6.290 4.844 -6.015) 9.961 2.402 ( -2.415 -3.729 -8.981) 10.019 2.710 ( 3.829 4.202 9.950) 11.460 2.808 ( 1.355 -2.918 6.931) 7.642 3.005 ( -2.200 -7.111 5.822) 9.450 3.047 ( -1.935 -7.525 4.463) 8.961 3.102 ( -7.062 -6.425 -2.690) 9.919 3.441 ( -4.874 2.025 -6.852) 8.649 3.639 ( -0.145 4.849 -7.936) 9.301 3.821 ( 5.747 1.308 0.045) 5.894 3.827 ( -4.472 2.146 -3.348) 5.985 3.939 ( -0.389 3.942 -2.328) 4.595 4.136 ( 0.416 1.568 1.796) 2.420 4.204 ( -8.958 -1.013 -6.558) 11.148 4.274 ( -0.428 0.182 1.029) 1.130 4.420 ( -0.036 -1.677 1.450) 2.218 4.494 ( -0.594 0.130 0.049) 0.610 4.634 ( -1.478 -1.621 -3.070) 3.773 4.658 ( -2.347 -2.657 -2.152) 4.147 4.798 ( 7.014 1.294 4.716) 8.550 4.864 ( -0.698 -0.454 0.184) 0.853 4.875 ( -0.307 -0.102 5.715) 5.724 5.074 ( 1.336 1.683 2.406) 3.226 5.127 ( 7.238 1.436 -2.733) 7.869 5.195 ( 5.583 -0.125 1.025) 5.677 5.340 ( 4.343 -3.286 -2.087) 5.832 5.532 ( -1.618 -0.561 -5.156) 5.433 5.584 ( -2.082 2.958 -5.339) 6.449 5.799 ( 3.317 3.939 6.751) 8.490 5.846 ( 5.104 4.035 0.323) 6.515 5.937 ( 1.922 0.565 3.836) 4.327 6.006 ( -1.316 0.846 5.404) 5.626 6.127 ( 0.977 0.378 3.846) 3.986 6.267 ( -1.761 5.799 -5.436) 8.141 6.381 ( -2.050 4.905 0.021) 5.316 6.500 ( -5.522 1.618 -2.759) 6.382 6.595 ( 2.641 4.006 1.372) 4.991 6.680 ( -9.941 -3.163 -4.482) 11.354 6.736 ( 1.586 2.435 2.824) 4.052 6.927 ( -3.222 4.627 -1.396) 5.808 7.055 ( 0.568 0.913 1.526) 1.867 7.158 ( 0.205 -1.291 3.360) 3.605 7.284 ( 5.644 4.040 1.066) 7.022 7.616 ( 3.502 -8.898 4.295) 10.483 7.747 ( -0.499 2.323 2.209) 3.244 7.971 ( -2.505 0.690 -3.878) 4.668 8.179 ( -2.297 8.878 1.743) 9.334 8.357 ( -0.633 -10.036 1.230) 10.131 8.381 ( 0.681 0.600 -1.607) 1.845 9.428 ( 0.892 0.316 1.127) 1.472 9.538 ( -0.963 -4.211 -0.950) 4.423 9.906 ( 1.810 -0.394 1.833) 2.606 9.967 ( 0.442 0.599 -1.786) 1.935 10.241 ( 0.207 -0.303 -2.833) 2.856 10.310 ( 0.880 1.685 -0.280) 1.922 10.979 ( -3.355 -2.374 -1.199) 4.282 11.084 ( 0.106 -2.767 1.684) 3.241 12.361 ( 0.356 -1.646 0.284) 1.708 12.589 ( 1.324 -0.770 -0.914) 1.783 13.432 ( -0.812 0.422 -1.082) 1.417 13.475 ( -0.305 0.718 -0.872) 1.170 13.597 ( -2.918 0.400 -0.389) 2.971 13.938 ( -0.426 -0.322 -0.162) 0.558 14.432 ( -2.100 0.895 -0.390) 2.315 14.449 ( -0.550 0.873 -0.145) 1.042 14.532 ( -1.170 0.364 1.123) 1.662 14.989 ( -5.747 4.630 -5.438) 9.167 15.277 ( 0.985 2.169 2.339) 3.339 15.330 ( 0.474 1.154 -1.859) 2.239 15.608 ( -1.779 0.608 0.266) 1.898 15.768 ( -1.898 0.465 -1.504) 2.466 16.327 ( 1.793 1.015 1.622) 2.622 16.387 ( 3.010 0.403 -0.868) 3.159 16.463 ( -0.795 4.956 -6.716) 8.385 16.969 ( 5.281 2.338 1.819) 6.055 17.264 ( 2.093 -0.664 0.573) 2.269 17.653 ( -2.121 4.181 2.000) 5.097 19.042 ( -4.874 0.461 -3.342) 5.928 19.757 ( -7.871 4.233 -4.385) 9.955 21.142 ( 1.533 1.808 2.581) 3.505 21.356 ( 0.391 -4.013 -0.611) 4.078 25.505 ( 3.233 4.378 0.271) 5.449 26.457 ( -11.077 17.723 -14.662) 25.529 27.449 ( 2.275 14.417 10.839) 18.180 27.545 ( 1.060 6.573 3.224) 7.398 28.433 ( 0.279 1.053 3.140) 3.324 28.496 ( 1.300 0.812 -0.510) 1.615 29.110 ( 0.344 0.250 -0.171) 0.458 29.125 ( -0.061 -0.092 0.055) 0.124 31.630 ( -0.124 -2.733 0.406) 2.766 31.669 ( -1.527 -6.167 -0.639) 6.386 32.837 ( 1.864 -0.250 -2.612) 3.219 32.875 ( -1.205 -2.259 -0.057) 2.561 33.196 ( 3.509 -3.324 1.304) 5.006 33.391 ( -4.405 -5.384 -0.231) 6.960 33.620 ( 0.336 -7.184 0.478) 7.207 33.741 ( -3.781 -12.970 -4.800) 14.337 34.017 ( 0.365 -2.938 0.446) 2.994 34.145 ( 1.062 -7.167 -7.337) 10.311 35.260 ( 4.961 2.989 13.937) 15.093 35.893 ( -1.289 6.700 -0.117) 6.824 ======================= Grid point 142 (61/117) ======================= q-point: ( 0.50 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 17.496 4.950 6.726) 19.387 1.364 ( -7.999 -1.429 -5.201) 9.647 1.534 ( 4.382 -12.691 11.221) 17.498 1.808 ( -0.265 -9.599 6.994) 11.879 2.109 ( 4.912 -10.013 -2.259) 11.379 2.171 ( -5.215 -5.496 -0.402) 7.587 2.321 ( 3.133 -13.562 -4.224) 14.547 2.407 ( 6.436 -7.584 -2.285) 10.206 2.487 ( -1.213 -5.855 -8.189) 10.140 2.766 ( 3.525 -1.973 1.608) 4.348 2.829 ( -3.077 -5.594 0.429) 6.399 3.037 ( 2.098 -2.697 11.418) 11.918 3.217 ( -5.592 -5.674 -8.656) 11.764 3.227 ( 1.871 -9.395 -1.846) 9.755 3.421 ( -4.164 -1.390 1.461) 4.627 3.568 ( -2.050 1.894 -3.772) 4.692 3.725 ( -0.564 5.808 -0.062) 5.836 3.797 ( 3.105 3.539 -1.462) 4.930 3.868 ( 2.260 4.071 -5.804) 7.440 4.062 ( -5.560 2.101 -6.088) 8.508 4.226 ( -2.199 -2.092 3.887) 4.931 4.301 ( -4.386 -5.182 3.124) 7.474 4.431 ( -1.486 0.487 4.670) 4.925 4.459 ( 1.835 1.926 2.814) 3.872 4.656 ( -3.967 -2.505 -6.531) 8.042 4.713 ( -2.146 -2.697 -2.653) 4.349 4.797 ( 5.956 3.678 5.441) 8.866 4.836 ( 1.949 2.259 2.005) 3.594 4.888 ( -0.517 -0.123 3.665) 3.704 5.064 ( 1.350 1.439 -2.978) 3.572 5.158 ( 10.133 1.152 5.816) 11.740 5.231 ( 4.881 0.154 0.835) 4.954 5.377 ( 2.666 1.041 -4.268) 5.138 5.455 ( -3.728 5.031 -3.210) 7.037 5.518 ( -4.198 2.532 -7.891) 9.290 5.739 ( 2.369 4.046 1.492) 4.920 5.814 ( 6.064 3.420 6.575) 9.576 5.885 ( 0.298 4.209 8.397) 9.398 5.951 ( -2.639 4.599 1.970) 5.656 6.114 ( -1.643 2.909 -1.516) 3.669 6.149 ( -1.908 2.766 -5.822) 6.722 6.253 ( 2.613 5.618 0.961) 6.270 6.447 ( -2.429 0.379 -1.730) 3.007 6.500 ( -1.761 6.448 -1.103) 6.775 6.679 ( -7.414 -2.819 -4.672) 9.206 6.765 ( 1.260 5.000 1.998) 5.530 6.779 ( -0.212 1.039 2.466) 2.684 7.038 ( -2.870 0.048 -1.761) 3.368 7.127 ( 2.942 2.861 4.468) 6.067 7.250 ( 2.238 5.354 -2.096) 6.170 7.681 ( 1.735 3.188 2.912) 4.653 7.836 ( 0.224 -10.499 2.036) 10.697 7.967 ( 1.102 0.811 -1.696) 2.179 8.014 ( -2.858 4.542 0.236) 5.372 8.369 ( 1.840 0.987 0.908) 2.277 8.528 ( -1.788 -7.938 0.031) 8.137 9.449 ( 0.423 -1.905 1.424) 2.416 9.610 ( -1.431 -4.164 -1.469) 4.641 9.920 ( 1.441 0.696 0.621) 1.717 9.939 ( -0.706 1.634 -0.505) 1.851 10.243 ( 0.980 0.702 -2.783) 3.033 10.270 ( -0.538 2.219 -0.377) 2.314 11.025 ( -0.847 -3.477 0.301) 3.592 11.152 ( -0.771 -4.201 0.625) 4.317 12.406 ( 1.355 -2.215 0.872) 2.739 12.610 ( -0.203 -1.033 -1.499) 1.831 13.420 ( 0.326 0.743 -0.313) 0.870 13.452 ( -0.411 1.321 -0.794) 1.595 13.580 ( 0.936 0.761 1.979) 2.318 13.939 ( -0.842 0.056 0.153) 0.858 14.389 ( -1.069 2.017 0.698) 2.387 14.434 ( 0.326 0.710 0.353) 0.857 14.524 ( -0.809 -0.070 0.368) 0.891 14.845 ( -6.193 5.742 -6.836) 10.865 15.249 ( 1.154 1.217 2.741) 3.213 15.306 ( 1.010 1.410 -1.479) 2.280 15.592 ( -0.645 0.283 0.549) 0.893 15.743 ( -1.875 0.824 -1.985) 2.852 16.311 ( 0.114 1.592 0.434) 1.654 16.329 ( -1.244 4.772 -5.709) 7.544 16.412 ( 5.306 2.096 3.112) 6.499 16.918 ( -1.634 3.806 -2.497) 4.837 17.299 ( 4.895 -0.295 3.274) 5.896 17.566 ( -0.778 3.728 1.524) 4.102 19.016 ( 0.338 0.786 -0.118) 0.864 19.626 ( -6.648 4.453 -5.199) 9.542 21.149 ( 2.180 -1.079 3.623) 4.364 21.416 ( -0.944 -2.430 -1.502) 3.009 25.416 ( 3.565 6.840 1.893) 7.942 25.989 ( -5.900 22.202 -7.546) 24.180 27.236 ( 2.460 8.511 8.729) 12.437 27.442 ( 1.649 6.657 -0.588) 6.884 28.428 ( 0.458 0.028 1.374) 1.448 28.483 ( 0.585 1.102 -0.386) 1.306 29.113 ( 0.458 -0.165 -0.069) 0.492 29.129 ( -0.420 -0.373 0.112) 0.573 31.692 ( -0.146 -3.493 1.479) 3.796 31.776 ( -1.369 -6.017 -1.066) 6.262 32.862 ( 2.295 -1.041 -1.446) 2.906 32.912 ( -2.631 -2.706 -0.109) 3.775 33.289 ( 4.212 -3.142 1.588) 5.489 33.436 ( -3.777 -2.167 1.537) 4.618 33.804 ( 0.808 -10.418 -2.168) 10.672 33.914 ( -4.302 -8.995 -5.109) 11.203 34.185 ( 0.844 -12.077 0.450) 12.115 34.303 ( -2.226 -9.729 -5.980) 11.635 35.221 ( 4.974 4.482 11.808) 13.574 35.717 ( -2.180 9.754 -1.698) 10.138 ======================= Grid point 143 (62/117) ======================= q-point: ( 0.60 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 8.001 -4.142 6.715) 11.237 1.417 ( -1.075 -7.359 -5.051) 8.990 1.758 ( -0.308 -9.065 6.426) 11.116 2.026 ( 0.138 -12.572 6.558) 14.180 2.190 ( -4.191 -0.407 -3.283) 5.339 2.329 ( -1.394 -10.774 -3.261) 11.343 2.474 ( -0.095 -5.076 -9.109) 10.428 2.585 ( -0.630 -6.411 -8.795) 10.902 2.631 ( 2.948 -6.613 7.513) 10.434 2.788 ( 3.658 -5.384 0.022) 6.509 3.016 ( -2.469 5.534 3.598) 7.048 3.112 ( 12.628 -11.172 1.963) 16.975 3.245 ( -6.170 -2.633 -5.147) 8.455 3.402 ( -1.375 -4.667 -0.932) 4.953 3.434 ( -0.047 -1.047 1.951) 2.215 3.534 ( -4.335 -1.265 -2.341) 5.086 3.647 ( -0.492 -0.014 1.301) 1.391 3.765 ( 7.051 1.574 -0.973) 7.290 3.810 ( 0.185 1.536 -6.213) 6.403 4.028 ( -6.627 -2.250 -3.239) 7.711 4.207 ( -0.280 3.606 2.633) 4.474 4.284 ( -3.306 3.613 8.102) 9.467 4.374 ( -2.677 4.072 7.078) 8.593 4.551 ( 0.421 -6.260 -0.631) 6.305 4.666 ( -2.754 -0.390 -6.234) 6.826 4.717 ( -0.927 0.432 -2.688) 2.876 4.731 ( 3.511 5.818 3.557) 7.671 4.797 ( 2.910 2.591 -2.121) 4.436 4.881 ( -3.852 -0.745 1.967) 4.388 5.018 ( 2.108 3.460 -3.365) 5.267 5.142 ( 4.644 4.707 2.839) 7.196 5.263 ( 3.550 1.413 2.432) 4.530 5.365 ( -1.469 2.649 -1.688) 3.468 5.402 ( 4.906 -1.943 1.939) 5.622 5.443 ( -2.828 0.837 -3.255) 4.392 5.661 ( 1.577 5.256 1.058) 5.588 5.758 ( 0.236 7.992 -0.291) 8.000 5.808 ( -1.490 3.063 4.098) 5.329 5.846 ( 3.765 2.057 6.187) 7.529 6.056 ( -2.641 0.580 -2.626) 3.769 6.121 ( -0.035 0.424 -4.160) 4.182 6.213 ( 0.700 1.618 1.176) 2.119 6.332 ( 0.234 8.411 -2.054) 8.661 6.460 ( -4.731 -1.422 0.416) 4.958 6.599 ( -2.253 4.084 1.143) 4.803 6.690 ( -1.628 0.281 -2.348) 2.871 6.860 ( 2.209 -3.928 -0.095) 4.507 6.995 ( -6.568 3.006 -3.531) 8.040 7.092 ( -1.429 3.556 4.861) 6.190 7.154 ( 7.716 1.869 -1.898) 8.163 7.637 ( 3.479 3.527 3.892) 6.300 7.926 ( 0.303 0.693 1.015) 1.265 7.944 ( -1.499 3.335 -2.064) 4.199 8.028 ( -2.697 -6.879 -3.107) 8.015 8.377 ( 3.737 -0.176 5.406) 6.574 8.635 ( -2.084 -4.669 -2.296) 5.605 9.503 ( 0.653 -3.160 1.882) 3.736 9.675 ( -1.992 -3.556 -2.599) 4.834 9.875 ( 1.182 3.278 0.654) 3.546 9.925 ( -0.544 0.652 0.212) 0.876 10.205 ( -0.286 2.764 -0.654) 2.855 10.248 ( 0.113 0.288 -2.294) 2.315 11.091 ( 1.383 -3.014 1.754) 3.751 11.225 ( -1.788 -3.954 -0.436) 4.362 12.456 ( 2.137 -1.746 1.405) 3.097 12.622 ( -1.560 -0.762 -1.925) 2.592 13.399 ( -0.209 1.604 0.341) 1.653 13.429 ( 0.238 0.884 -0.999) 1.355 13.582 ( 4.813 1.002 4.311) 6.539 13.918 ( -2.654 1.067 -0.688) 2.942 14.357 ( 0.875 1.166 1.288) 1.945 14.423 ( 1.419 1.225 1.442) 2.365 14.520 ( -1.919 -0.271 -0.960) 2.163 14.708 ( -7.061 3.526 -7.186) 10.673 15.252 ( 1.418 -0.483 2.431) 2.856 15.299 ( 1.460 0.015 -0.706) 1.622 15.592 ( 0.543 -0.388 0.718) 0.980 15.716 ( -1.575 0.655 -2.079) 2.690 16.234 ( 0.456 3.670 -2.312) 4.362 16.286 ( -0.848 1.544 0.041) 1.762 16.404 ( 5.212 2.263 3.552) 6.701 16.815 ( -6.186 4.025 -5.004) 8.917 17.329 ( 4.959 0.606 3.988) 6.392 17.501 ( -0.911 2.742 0.403) 2.918 19.014 ( 4.686 1.177 2.938) 5.654 19.502 ( -7.844 3.509 -6.473) 10.759 21.201 ( 2.925 -2.248 4.010) 5.449 21.439 ( -1.717 -1.024 -2.129) 2.920 25.305 ( 2.917 6.468 2.443) 7.504 25.595 ( -3.892 15.088 -4.172) 16.131 27.136 ( 1.676 4.090 4.814) 6.535 27.317 ( 0.130 6.489 -1.361) 6.632 28.432 ( 0.425 -0.001 0.557) 0.701 28.465 ( -0.007 0.900 -0.324) 0.957 29.118 ( 0.162 -0.114 0.241) 0.312 29.134 ( -0.265 -0.346 -0.136) 0.457 31.753 ( -0.317 -2.743 2.524) 3.741 31.879 ( -0.468 -5.118 -1.880) 5.472 32.899 ( 2.189 -1.178 -0.294) 2.503 32.946 ( -2.310 -2.653 -0.599) 3.568 33.354 ( 3.988 -0.793 1.594) 4.368 33.432 ( -3.756 -0.014 1.608) 4.086 33.978 ( 1.276 -7.203 -2.804) 7.835 34.089 ( -2.656 -10.760 -5.050) 12.180 34.405 ( -0.160 -9.612 0.704) 9.639 34.481 ( -0.935 -10.238 -3.290) 10.794 35.168 ( 3.836 4.148 9.646) 11.178 35.522 ( -2.024 8.465 -2.496) 9.055 ======================= Grid point 144 (63/117) ======================= q-point: (-0.30 -0.70 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -0.988 -6.824 6.519) 9.489 1.589 ( 5.506 -7.861 -2.817) 10.002 1.902 ( -0.359 -5.748 -4.316) 7.197 2.092 ( -4.986 5.154 -7.652) 10.487 2.254 ( 1.498 -8.598 8.060) 11.880 2.505 ( -2.011 -7.532 -1.641) 7.966 2.552 ( 2.152 -2.344 -2.268) 3.908 2.705 ( 3.466 -2.334 -5.772) 7.125 2.736 ( -4.821 -7.918 -1.245) 9.353 2.801 ( -1.259 6.198 -3.299) 7.133 3.049 ( -0.282 -11.777 4.173) 12.498 3.250 ( -1.051 -0.285 -3.288) 3.464 3.281 ( 3.442 3.828 8.032) 9.540 3.331 ( 6.807 1.445 5.841) 9.085 3.435 ( -3.146 0.279 -5.091) 5.991 3.546 ( -2.488 2.543 2.653) 4.438 3.705 ( -0.544 -4.897 -2.232) 5.409 3.781 ( 3.906 3.157 -1.596) 5.270 3.892 ( 0.310 -8.164 -3.000) 8.703 4.030 ( -2.576 -0.109 0.784) 2.695 4.060 ( 0.708 8.448 1.957) 8.701 4.223 ( -6.909 4.265 -1.718) 8.299 4.316 ( -2.046 -4.965 9.620) 11.018 4.563 ( -0.020 0.052 -3.481) 3.481 4.596 ( 5.853 6.072 2.621) 8.832 4.692 ( -0.893 -0.036 0.696) 1.133 4.743 ( 2.173 1.781 -3.445) 4.445 4.811 ( 3.294 -2.562 -1.373) 4.393 4.887 ( -4.601 -3.563 -3.098) 6.593 4.976 ( 2.245 2.765 -1.651) 3.926 5.106 ( 3.574 1.319 5.622) 6.791 5.207 ( -5.272 5.834 -0.180) 7.865 5.267 ( -2.450 1.376 -1.001) 2.983 5.455 ( 4.936 0.175 -4.393) 6.610 5.465 ( 3.403 2.394 -1.161) 4.319 5.553 ( -5.483 3.979 1.433) 6.924 5.652 ( -0.293 1.646 4.388) 4.695 5.782 ( 1.624 0.066 3.566) 3.919 5.856 ( 3.827 -0.395 5.958) 7.092 6.044 ( -0.795 0.225 -3.825) 3.913 6.103 ( -2.170 0.001 -4.884) 5.345 6.180 ( -1.131 2.151 -0.361) 2.456 6.206 ( 3.763 5.894 1.747) 7.208 6.386 ( -10.439 1.152 -3.030) 10.931 6.611 ( 0.622 1.596 2.246) 2.824 6.681 ( 5.804 -2.549 1.959) 6.635 6.885 ( -6.198 1.457 -0.582) 6.394 6.938 ( 0.802 -2.289 -0.533) 2.483 7.056 ( 0.030 0.268 3.023) 3.035 7.215 ( 3.892 -2.782 -3.853) 6.143 7.591 ( 4.819 3.946 4.701) 7.803 7.824 ( -5.444 5.215 -3.843) 8.462 7.932 ( 2.744 0.654 1.721) 3.304 8.088 ( -3.218 -1.976 -5.856) 6.968 8.423 ( 3.011 -1.602 7.532) 8.269 8.687 ( -1.379 -2.302 -3.834) 4.680 9.571 ( 1.021 -3.108 2.227) 3.958 9.710 ( -2.316 -1.539 -3.316) 4.328 9.838 ( 2.192 1.480 2.207) 3.444 9.899 ( -1.214 1.398 -0.441) 1.903 10.156 ( -0.570 1.846 0.216) 1.945 10.247 ( 0.233 -0.134 -2.934) 2.946 11.150 ( 2.978 -1.532 2.922) 4.444 11.273 ( -2.871 -2.561 -1.516) 4.135 12.498 ( 2.853 -0.920 1.896) 3.547 12.616 ( -2.638 -0.109 -2.262) 3.477 13.367 ( -0.337 1.276 0.639) 1.467 13.418 ( 0.168 0.412 -1.130) 1.214 13.604 ( 7.632 0.926 6.147) 9.844 13.870 ( -4.917 1.162 -2.479) 5.628 14.355 ( 1.929 0.185 1.409) 2.396 14.402 ( 1.867 1.975 1.833) 3.278 14.513 ( -2.684 -0.739 -1.791) 3.310 14.628 ( -6.505 0.378 -5.526) 8.544 15.277 ( 1.199 -0.831 1.585) 2.154 15.318 ( 1.317 -0.785 -0.575) 1.638 15.616 ( 1.597 -1.430 1.019) 2.373 15.703 ( -0.975 -0.335 -1.805) 2.078 16.189 ( 1.580 1.862 0.036) 2.442 16.246 ( -1.975 1.570 -0.801) 2.647 16.397 ( 6.340 2.232 4.569) 8.128 16.696 ( -8.848 3.026 -6.429) 11.348 17.339 ( 4.035 1.388 3.816) 5.724 17.448 ( -1.514 1.981 -0.461) 2.535 19.033 ( 7.981 1.015 5.564) 9.782 19.395 ( -9.502 1.659 -7.449) 12.187 21.265 ( 3.509 -2.044 3.723) 5.509 21.435 ( -2.383 -0.041 -2.498) 3.452 25.220 ( 2.279 3.923 2.320) 5.096 25.360 ( -3.059 7.320 -2.666) 8.369 27.094 ( 1.205 1.453 2.667) 3.267 27.209 ( -0.694 4.354 -1.499) 4.657 28.433 ( 0.314 0.118 0.188) 0.385 28.449 ( -0.246 0.588 -0.375) 0.740 29.121 ( -0.006 -0.123 0.413) 0.431 29.138 ( -0.021 -0.221 -0.220) 0.312 31.791 ( -0.335 -1.342 3.137) 3.429 31.955 ( -0.045 -2.916 -2.664) 3.950 32.928 ( 0.554 -0.819 0.921) 1.351 32.991 ( 0.117 -2.871 -1.260) 3.137 33.371 ( 1.048 0.647 1.400) 1.865 33.402 ( -1.676 1.131 0.614) 2.113 34.098 ( 2.553 -3.787 -0.697) 4.620 34.231 ( -4.436 -5.915 -6.149) 9.617 34.542 ( 1.361 -4.495 2.179) 5.178 34.672 ( 0.840 -9.166 -3.651) 9.902 35.118 ( 0.560 2.784 8.724) 9.174 35.389 ( -0.219 4.281 -2.584) 5.005 ======================= Grid point 145 (64/117) ======================= q-point: (-0.20 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -4.715 0.041 6.360) 7.917 1.727 ( 4.218 -1.550 -1.434) 4.717 1.896 ( -0.172 5.093 -5.801) 7.721 2.013 ( 0.134 1.120 -10.304) 10.366 2.353 ( 3.859 1.482 6.897) 8.041 2.467 ( -7.367 7.177 -3.025) 10.721 2.574 ( 4.522 0.467 -3.275) 5.603 2.721 ( 1.481 -3.794 -5.628) 6.947 2.828 ( -4.138 -3.490 3.127) 6.252 2.910 ( 1.936 -10.932 -1.024) 11.149 3.084 ( 0.297 10.762 6.828) 12.749 3.203 ( 0.808 -1.600 -0.673) 1.915 3.256 ( 1.687 2.548 1.757) 3.525 3.387 ( -1.352 -1.341 -4.790) 5.155 3.456 ( -3.015 0.803 7.107) 7.762 3.505 ( 0.940 -4.239 1.739) 4.677 3.635 ( 2.402 8.225 -1.159) 8.646 3.789 ( 0.417 0.296 0.220) 0.556 3.933 ( 2.371 0.258 3.021) 3.849 3.977 ( -2.865 -1.147 1.356) 3.371 4.057 ( -6.608 -0.988 -2.620) 7.177 4.181 ( 0.200 -6.730 -6.985) 9.701 4.414 ( -3.859 -3.549 5.961) 7.938 4.548 ( 9.133 4.560 5.306) 11.505 4.635 ( -0.067 -4.915 0.161) 4.918 4.692 ( 1.892 1.958 -3.112) 4.135 4.710 ( -0.411 -1.572 -2.893) 3.318 4.872 ( 6.146 -0.052 0.879) 6.209 4.917 ( 1.072 0.623 2.930) 3.182 4.951 ( -2.562 0.356 -6.189) 6.708 5.019 ( -8.286 4.269 -5.394) 10.769 5.150 ( 7.094 -1.377 5.634) 9.163 5.271 ( -3.461 -2.423 1.586) 4.513 5.382 ( -9.088 3.801 -2.874) 10.262 5.446 ( 1.891 2.053 -3.668) 4.609 5.492 ( 4.619 1.300 -5.035) 6.955 5.635 ( -0.483 -0.138 5.556) 5.578 5.820 ( 0.130 -1.587 9.529) 9.661 5.928 ( 3.988 -4.628 1.419) 6.271 6.028 ( -0.673 1.381 -1.455) 2.116 6.095 ( -1.581 0.035 -2.239) 2.741 6.114 ( -2.298 1.789 0.036) 2.913 6.150 ( 5.390 2.712 2.511) 6.535 6.342 ( -8.870 -2.406 -6.501) 11.257 6.576 ( 3.626 1.836 5.881) 7.149 6.739 ( -0.600 0.135 -1.749) 1.854 6.910 ( 1.454 -4.598 3.546) 5.985 6.936 ( -0.477 2.405 1.129) 2.700 7.056 ( -0.421 0.484 0.836) 1.054 7.277 ( 0.388 -2.025 -5.003) 5.411 7.560 ( 5.991 2.558 4.614) 7.983 7.703 ( -5.605 2.822 -5.083) 8.076 7.950 ( 2.036 -1.116 2.156) 3.169 8.100 ( -1.856 -2.128 -5.968) 6.603 8.455 ( -0.106 -0.079 6.675) 6.676 8.709 ( -0.316 -0.605 -4.269) 4.323 9.628 ( 0.159 -2.179 2.012) 2.970 9.714 ( 0.143 -0.054 -1.043) 1.054 9.838 ( 0.927 0.116 1.074) 1.424 9.864 ( -1.167 1.168 -0.602) 1.758 10.132 ( 0.025 0.366 0.958) 1.026 10.253 ( -0.325 -0.554 -3.531) 3.589 11.184 ( 3.901 0.430 3.705) 5.397 11.283 ( -3.739 -0.707 -2.482) 4.543 12.528 ( 3.480 -0.100 2.196) 4.116 12.591 ( -3.320 0.691 -2.501) 4.214 13.352 ( 0.016 0.195 0.924) 0.944 13.415 ( -0.226 -0.138 -1.418) 1.443 13.648 ( 9.053 0.117 7.234) 11.588 13.819 ( -6.400 0.178 -4.030) 7.565 14.369 ( 2.060 -0.134 1.176) 2.375 14.391 ( 0.811 -0.585 1.032) 1.438 14.514 ( -1.219 -0.635 -0.350) 1.418 14.594 ( -5.536 -0.546 -3.735) 6.700 15.291 ( 0.310 -0.066 0.501) 0.593 15.335 ( 0.691 -0.198 -1.087) 1.303 15.661 ( 1.183 -1.957 1.138) 2.554 15.717 ( -0.263 -1.495 -1.356) 2.036 16.172 ( 0.891 1.075 0.714) 1.568 16.207 ( -1.268 1.119 -0.969) 1.949 16.410 ( 8.612 1.249 5.904) 10.516 16.592 ( -10.033 1.291 -7.331) 12.492 17.334 ( 3.430 1.489 3.519) 5.135 17.407 ( -1.615 1.280 -0.977) 2.281 19.083 ( 10.397 -0.096 7.743) 12.964 19.318 ( -10.865 -0.534 -8.154) 13.595 21.319 ( 3.249 -1.059 2.935) 4.505 21.411 ( -2.665 0.714 -2.519) 3.737 25.192 ( 2.106 0.376 2.174) 3.050 25.263 ( -2.216 1.316 -1.870) 3.184 27.090 ( 0.452 0.001 1.308) 1.384 27.150 ( -0.353 1.032 -1.151) 1.585 28.431 ( -0.083 0.211 -0.069) 0.237 28.441 ( 0.080 0.182 -0.353) 0.405 29.123 ( -0.070 -0.111 0.441) 0.460 29.142 ( 0.098 -0.129 -0.166) 0.231 31.801 ( -0.163 0.319 3.271) 3.291 31.984 ( 0.153 -0.122 -3.189) 3.195 32.936 ( -1.022 -0.076 1.684) 1.972 33.055 ( 2.201 -3.011 -1.683) 4.092 33.338 ( -4.796 1.675 0.415) 5.097 33.386 ( 3.418 0.730 0.687) 3.562 34.140 ( 3.517 1.517 0.937) 3.943 34.253 ( -4.826 0.177 -6.055) 7.745 34.598 ( 2.194 -0.113 3.174) 3.860 34.815 ( 2.008 -4.611 -5.821) 7.693 35.082 ( -4.513 -0.238 8.226) 9.386 35.354 ( 1.804 0.029 -1.702) 2.480 ======================= Grid point 146 (65/117) ======================= q-point: (-0.10 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -7.602 7.808 5.600) 12.252 1.645 ( 0.145 9.471 2.366) 9.763 1.832 ( 0.174 2.191 -6.655) 7.008 1.953 ( 5.604 6.818 -4.184) 9.767 2.252 ( 3.431 7.248 -5.188) 9.551 2.353 ( 1.297 5.290 4.247) 6.907 2.557 ( 8.405 6.150 -2.211) 10.646 2.746 ( -4.177 0.889 -8.706) 9.697 2.833 ( -3.364 8.977 13.638) 16.670 2.892 ( -1.523 -1.266 4.784) 5.178 3.095 ( -3.641 2.515 -4.488) 6.303 3.112 ( 2.019 0.671 2.679) 3.421 3.288 ( 1.818 -2.791 -3.900) 5.128 3.390 ( -3.530 -1.716 -7.081) 8.096 3.453 ( 3.621 1.903 2.286) 4.686 3.494 ( 0.135 3.154 2.606) 4.093 3.542 ( -2.810 0.870 -1.326) 3.227 3.739 ( 0.464 4.489 -0.495) 4.540 4.013 ( -5.011 0.624 -0.612) 5.087 4.044 ( -2.472 -7.633 2.901) 8.532 4.076 ( 5.569 -8.341 5.648) 11.510 4.326 ( 1.132 -5.053 -3.341) 6.163 4.414 ( -0.142 3.024 4.657) 5.555 4.519 ( 5.820 1.118 4.185) 7.255 4.627 ( -0.708 0.776 -5.939) 6.031 4.698 ( -3.055 1.291 1.805) 3.776 4.767 ( -2.149 -1.312 -2.703) 3.694 4.794 ( -3.350 -0.772 -4.512) 5.672 4.925 ( 0.231 -1.360 0.753) 1.571 4.956 ( 2.853 -0.016 -1.633) 3.288 5.045 ( 1.789 -3.391 -5.929) 7.061 5.215 ( 3.732 0.192 2.672) 4.594 5.244 ( -9.138 1.352 -2.103) 9.474 5.325 ( -0.652 -4.211 2.953) 5.184 5.448 ( 1.844 -1.211 -2.247) 3.149 5.526 ( 5.495 -1.833 -5.701) 8.127 5.649 ( -0.685 -0.604 4.016) 4.118 5.822 ( -1.807 0.902 7.715) 7.975 5.960 ( -5.844 1.504 -0.589) 6.063 6.071 ( 2.224 -5.915 1.716) 6.548 6.093 ( 2.259 0.402 2.869) 3.674 6.139 ( -0.472 -3.511 -2.034) 4.085 6.174 ( 11.057 -1.834 6.527) 12.970 6.335 ( -9.708 -3.285 -7.203) 12.527 6.583 ( 5.623 1.301 6.772) 8.898 6.723 ( -3.713 -0.377 -1.667) 4.087 6.869 ( -2.035 2.667 1.478) 3.666 6.982 ( 2.640 -0.730 0.400) 2.768 7.039 ( -0.174 0.279 2.791) 2.810 7.291 ( -2.686 -0.701 -6.423) 6.997 7.582 ( 5.489 -0.575 3.703) 6.646 7.657 ( -3.008 -1.224 -4.606) 5.636 7.995 ( 0.900 -2.175 1.928) 3.043 8.152 ( 0.089 -3.493 -5.683) 6.671 8.424 ( -3.691 2.184 5.347) 6.854 8.697 ( 0.190 1.880 -3.918) 4.350 9.643 ( -2.690 0.217 0.717) 2.792 9.718 ( 2.569 0.796 1.608) 3.133 9.838 ( 2.598 0.607 1.667) 3.146 9.855 ( -2.417 -1.572 -2.110) 3.573 10.144 ( 0.592 -1.240 1.580) 2.094 10.261 ( -1.026 -0.938 -3.892) 4.133 11.185 ( 4.285 2.305 4.152) 6.396 11.254 ( -4.248 0.950 -3.163) 5.380 12.545 ( 1.338 1.124 0.545) 1.831 12.549 ( -0.941 1.029 -0.934) 1.678 13.361 ( 0.304 -1.045 0.957) 1.449 13.420 ( -0.447 -0.701 -1.643) 1.841 13.716 ( 7.280 -1.274 6.428) 9.795 13.786 ( -5.056 -0.882 -3.965) 6.485 14.397 ( 0.781 -2.156 1.125) 2.554 14.433 ( -0.907 -3.384 -1.078) 3.666 14.524 ( 2.435 -0.368 3.241) 4.070 14.568 ( -4.668 -0.143 -2.286) 5.200 15.285 ( -0.579 0.549 -0.507) 0.945 15.330 ( -0.305 0.786 -1.839) 2.023 15.692 ( -1.950 -1.374 0.085) 2.387 15.749 ( -0.092 -1.718 -0.406) 1.768 16.158 ( 0.775 0.636 0.338) 1.058 16.195 ( 1.776 0.254 0.155) 1.801 16.467 ( 10.873 -0.573 6.804) 12.839 16.519 ( -10.057 -0.514 -7.951) 12.831 17.334 ( 2.821 0.634 2.811) 4.033 17.380 ( -0.289 0.674 -0.769) 1.062 19.176 ( 12.106 -2.120 9.499) 15.533 19.272 ( -11.720 -2.281 -8.447) 14.626 21.327 ( -1.965 1.493 -0.166) 2.473 21.390 ( 1.595 0.403 -0.227) 1.661 25.232 ( 0.006 -3.359 0.805) 3.454 25.280 ( 1.751 -3.846 0.272) 4.234 27.088 ( -1.024 -0.296 0.621) 1.234 27.173 ( 1.342 -2.758 -0.805) 3.171 28.425 ( -0.229 0.216 -0.201) 0.374 28.442 ( 0.397 -0.138 -0.271) 0.500 29.123 ( -0.173 0.078 0.381) 0.426 29.144 ( 0.114 0.006 -0.070) 0.134 31.781 ( 0.185 1.792 2.899) 3.413 31.962 ( 0.267 2.331 -3.443) 4.167 32.920 ( -2.041 0.730 1.779) 2.804 33.124 ( 3.356 -2.159 -1.276) 4.189 33.255 ( -4.743 3.838 1.037) 6.189 33.416 ( 2.575 -1.849 -0.274) 3.182 34.084 ( 4.069 6.747 1.599) 8.040 34.172 ( -3.394 4.993 -6.262) 8.698 34.569 ( 1.323 4.687 4.486) 6.622 34.869 ( 1.739 -0.287 -7.445) 7.651 35.072 ( -8.697 -2.299 7.149) 11.491 35.404 ( 2.627 -3.882 -0.760) 4.748 ======================= Grid point 151 (66/117) ======================= q-point: ( 0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 13.046 0.000 14.296) 19.354 1.328 ( 6.055 0.000 3.723) 7.108 1.398 ( 21.468 0.000 8.981) 23.271 1.408 ( -0.449 -0.000 -7.795) 7.808 1.889 ( 4.724 0.000 2.298) 5.254 1.966 ( 0.513 0.000 -0.808) 0.957 2.009 ( 10.573 0.000 -0.978) 10.618 2.331 ( 0.415 0.000 -8.921) 8.930 2.376 ( -10.457 -0.000 -11.414) 15.480 2.740 ( -7.734 -0.000 2.476) 8.121 2.847 ( 2.905 0.000 13.727) 14.031 2.853 ( -3.621 -0.000 -1.091) 3.782 2.881 ( -2.616 -0.000 8.790) 9.171 3.041 ( -4.469 -0.000 2.732) 5.238 3.421 ( -5.732 -0.000 -9.856) 11.401 3.690 ( -15.452 -0.000 -4.654) 16.137 3.760 ( 4.708 0.000 -17.594) 18.213 3.893 ( 8.258 0.000 16.277) 18.252 4.011 ( -1.089 -0.000 -7.794) 7.869 4.090 ( -0.412 -0.000 -3.958) 3.979 4.235 ( -1.655 -0.000 -6.671) 6.873 4.279 ( 2.916 0.000 4.601) 5.447 4.405 ( 2.428 0.000 1.172) 2.696 4.496 ( 1.197 0.000 -0.292) 1.232 4.608 ( -1.141 -0.000 -1.798) 2.130 4.611 ( -6.640 -0.000 -2.277) 7.020 4.807 ( 0.264 0.000 1.870) 1.888 4.860 ( 1.800 0.000 3.870) 4.268 4.902 ( 4.956 0.000 5.963) 7.753 5.111 ( -1.736 -0.000 3.210) 3.649 5.176 ( 5.897 0.000 -1.893) 6.194 5.224 ( 7.745 0.000 -2.213) 8.055 5.342 ( 8.138 0.000 0.073) 8.138 5.510 ( -2.178 -0.000 -1.977) 2.942 5.590 ( -3.412 -0.000 -7.765) 8.481 5.884 ( -3.301 -0.000 -5.737) 6.619 5.894 ( 6.895 0.000 11.337) 13.270 5.970 ( 6.187 0.000 2.859) 6.815 6.008 ( 0.509 0.000 6.616) 6.636 6.128 ( -2.840 -0.000 6.742) 7.316 6.326 ( -1.540 -0.000 -4.687) 4.933 6.393 ( -4.610 -0.000 -0.904) 4.698 6.500 ( -0.062 -0.000 -2.192) 2.193 6.567 ( -12.041 -0.000 -6.583) 13.723 6.646 ( -1.590 -0.000 -2.334) 2.824 6.795 ( 5.722 0.000 8.776) 10.477 6.943 ( -4.606 -0.000 -6.261) 7.773 7.079 ( 0.472 0.000 2.730) 2.771 7.119 ( 3.109 0.000 -0.965) 3.255 7.373 ( 0.006 0.000 4.983) 4.983 7.558 ( 5.387 0.000 7.330) 9.097 7.772 ( 0.576 0.000 1.907) 1.992 7.968 ( -3.084 -0.000 -0.470) 3.120 8.216 ( -1.896 -0.000 0.587) 1.985 8.279 ( 0.338 0.000 -2.062) 2.089 8.385 ( -0.391 -0.000 -2.630) 2.658 9.449 ( -0.628 -0.000 2.143) 2.233 9.483 ( 1.347 0.000 -1.515) 2.027 9.910 ( 0.645 0.000 1.668) 1.788 9.977 ( 1.026 0.000 -1.823) 2.092 10.241 ( 1.184 0.000 -2.015) 2.337 10.331 ( 0.196 0.000 -1.455) 1.468 10.938 ( -1.543 -0.000 -0.203) 1.556 11.053 ( -1.113 -0.000 0.690) 1.310 12.350 ( 1.438 0.000 1.398) 2.006 12.585 ( 0.024 0.000 -1.868) 1.868 13.431 ( -0.411 -0.000 -0.864) 0.957 13.479 ( -0.375 -0.000 -1.320) 1.372 13.594 ( 0.702 0.000 2.451) 2.549 13.930 ( -0.629 -0.000 -0.481) 0.792 14.433 ( -0.513 -0.000 -0.057) 0.517 14.457 ( -0.165 -0.000 -0.012) 0.165 14.528 ( -1.142 -0.000 1.241) 1.686 14.991 ( -7.159 -0.000 -8.136) 10.838 15.307 ( 0.186 0.000 1.488) 1.499 15.341 ( 0.390 0.000 -1.409) 1.462 15.609 ( -0.692 -0.000 0.658) 0.955 15.758 ( -2.300 -0.000 -2.174) 3.165 16.343 ( 0.006 0.000 0.765) 0.765 16.411 ( 2.758 0.000 -1.221) 3.016 16.512 ( 1.519 0.000 -5.220) 5.437 16.999 ( -2.811 -0.000 -3.614) 4.578 17.291 ( 7.505 0.000 5.518) 9.315 17.672 ( -4.674 -0.000 2.013) 5.089 19.028 ( -0.332 -0.000 -0.711) 0.784 19.728 ( -11.704 -0.000 -8.625) 14.539 21.180 ( 0.079 0.000 2.632) 2.633 21.307 ( 0.831 0.000 -0.412) 0.928 25.578 ( 5.502 0.000 2.471) 6.031 26.527 ( -14.958 -0.000 -19.542) 24.610 27.584 ( 4.056 0.000 0.833) 4.140 27.638 ( -10.011 -0.000 13.789) 17.039 28.448 ( -0.992 -0.000 4.765) 4.867 28.514 ( 1.441 0.000 -0.351) 1.483 29.111 ( -0.348 -0.000 0.417) 0.543 29.129 ( -0.123 -0.000 -0.443) 0.460 31.589 ( 0.278 0.000 0.116) 0.301 31.607 ( -0.031 -0.000 -0.292) 0.294 32.852 ( 2.611 0.000 -4.966) 5.611 32.855 ( 0.659 0.000 -1.337) 1.490 33.179 ( 3.053 0.000 0.711) 3.134 33.286 ( -2.447 -0.000 -0.627) 2.526 33.556 ( 0.313 0.000 1.514) 1.546 33.600 ( 0.362 0.000 -0.713) 0.800 33.966 ( -6.152 -0.000 3.844) 7.255 34.117 ( 7.785 0.000 -11.980) 14.287 35.331 ( 6.136 0.000 15.761) 16.913 35.948 ( -2.656 -0.000 -1.098) 2.873 ======================= Grid point 152 (67/117) ======================= q-point: ( 0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 5.838 1.862 9.560) 11.355 1.336 ( -7.487 5.882 1.517) 9.641 1.460 ( 15.656 -2.278 3.238) 16.149 1.636 ( 6.711 -9.267 8.945) 14.524 1.951 ( 3.509 -6.832 -3.412) 8.405 2.073 ( 8.436 -7.536 8.340) 14.054 2.167 ( -5.032 -2.145 -9.214) 10.716 2.248 ( -1.607 -5.083 2.671) 5.963 2.385 ( 1.127 -5.327 -14.567) 15.552 2.709 ( -7.349 -3.167 -1.302) 8.107 2.796 ( 2.436 1.716 3.680) 4.735 2.964 ( -9.812 -10.005 2.306) 14.201 2.981 ( 0.881 -4.970 7.069) 8.686 3.113 ( 5.005 -9.009 2.955) 10.721 3.378 ( -5.545 1.256 -7.348) 9.290 3.567 ( -8.909 1.256 -5.031) 10.308 3.779 ( -2.533 1.307 -11.969) 12.303 3.894 ( 2.029 4.290 8.259) 9.526 3.941 ( 1.022 3.569 -10.246) 10.898 4.112 ( -4.432 0.012 -2.602) 5.139 4.175 ( 4.818 3.424 0.307) 5.919 4.281 ( 2.082 1.422 3.188) 4.065 4.431 ( 1.167 -0.242 2.542) 2.807 4.485 ( -0.386 0.745 -0.271) 0.882 4.590 ( -4.291 -1.674 -1.438) 4.825 4.638 ( -0.564 -3.412 -3.215) 4.722 4.851 ( 3.499 -1.621 5.084) 6.381 4.877 ( 0.182 -0.745 5.229) 5.285 4.911 ( 6.418 2.833 4.045) 8.098 5.104 ( 2.885 -0.032 4.429) 5.286 5.219 ( 6.370 -0.561 2.282) 6.790 5.262 ( 4.855 0.580 -3.346) 5.925 5.394 ( 4.357 -0.152 -3.054) 5.323 5.493 ( -2.944 0.944 -3.206) 4.453 5.539 ( -4.581 2.415 -8.486) 9.941 5.814 ( -2.740 2.859 -1.727) 4.321 5.922 ( 6.301 2.571 8.899) 11.203 5.962 ( 1.114 3.710 7.048) 8.042 6.001 ( -0.306 1.805 4.175) 4.559 6.110 ( -3.561 -0.720 4.378) 5.689 6.223 ( -3.976 6.001 -7.478) 10.380 6.392 ( 3.021 3.307 -2.114) 4.953 6.440 ( -3.974 1.934 -3.308) 5.521 6.534 ( -7.726 -2.580 -4.617) 9.363 6.609 ( 0.028 2.906 -2.002) 3.529 6.820 ( 6.685 1.262 7.660) 10.245 6.876 ( -3.563 4.157 -4.355) 6.996 7.044 ( -2.456 2.812 0.357) 3.751 7.157 ( -0.032 -0.193 3.203) 3.209 7.333 ( 2.249 2.149 -0.409) 3.137 7.660 ( 2.541 -7.129 5.789) 9.528 7.751 ( 0.789 2.262 3.507) 4.247 7.969 ( 2.563 -0.731 -0.125) 2.668 8.135 ( -4.662 7.496 -1.257) 8.917 8.348 ( -0.784 -6.635 -1.027) 6.760 8.389 ( 0.682 -1.406 -1.369) 2.078 9.438 ( 0.422 0.081 1.796) 1.847 9.530 ( -0.064 -3.275 -1.189) 3.484 9.918 ( -0.367 -0.600 1.255) 1.438 9.971 ( 0.399 1.227 -1.437) 1.931 10.252 ( 1.650 -0.130 -1.694) 2.368 10.309 ( -0.992 1.881 -1.961) 2.893 10.963 ( 0.983 -2.634 0.962) 2.971 11.073 ( -1.926 -2.897 -0.275) 3.490 12.379 ( 2.313 -1.615 2.125) 3.532 12.587 ( -1.402 -0.693 -2.588) 3.024 13.429 ( 0.336 0.105 -0.382) 0.520 13.470 ( -0.420 0.732 -1.219) 1.482 13.608 ( 4.426 0.315 4.807) 6.541 13.930 ( -0.992 -0.277 -0.831) 1.324 14.421 ( 0.459 1.281 0.931) 1.649 14.449 ( 0.308 0.628 0.234) 0.737 14.520 ( -0.781 0.168 0.780) 1.117 14.897 ( -8.052 4.293 -10.056) 13.579 15.286 ( 0.034 1.751 1.717) 2.453 15.337 ( 0.785 0.877 -1.344) 1.786 15.600 ( 0.375 0.590 1.148) 1.344 15.740 ( -2.270 0.340 -2.686) 3.533 16.331 ( -1.171 0.809 0.194) 1.436 16.399 ( 0.591 2.777 -5.095) 5.833 16.498 ( 5.380 2.708 2.145) 6.394 16.944 ( -7.364 1.927 -6.499) 10.009 17.344 ( 8.318 0.250 7.132) 10.960 17.615 ( -4.000 2.529 1.627) 5.004 19.040 ( 4.565 0.200 2.333) 5.131 19.628 ( -11.866 2.113 -10.416) 15.930 21.164 ( 1.739 0.860 4.053) 4.494 21.350 ( -1.245 -3.266 -1.561) 3.828 25.567 ( 6.209 5.079 4.477) 9.186 26.286 ( -14.269 14.038 -17.379) 26.508 27.448 ( -3.008 11.151 12.953) 17.354 27.565 ( 1.659 4.545 1.004) 4.941 28.435 ( -0.136 0.518 3.011) 3.058 28.510 ( 0.836 1.149 -0.281) 1.448 29.112 ( -0.048 -0.280 0.204) 0.350 29.124 ( -0.087 0.191 -0.132) 0.248 31.627 ( -0.348 -2.895 0.548) 2.967 31.656 ( -0.645 -5.065 -0.339) 5.117 32.857 ( 0.712 -0.387 -2.390) 2.524 32.876 ( 2.382 -0.783 -2.088) 3.264 33.241 ( 3.427 -3.817 0.913) 5.210 33.338 ( -4.117 -4.996 0.207) 6.477 33.618 ( -0.698 -7.063 -0.143) 7.099 33.712 ( -0.462 -9.126 -3.202) 9.682 33.991 ( -3.024 -6.729 3.262) 8.066 34.190 ( 5.525 -3.438 -10.200) 12.099 35.341 ( 6.462 3.510 15.482) 17.140 35.862 ( -3.312 6.512 -2.633) 7.766 ======================= Grid point 153 (68/117) ======================= q-point: (-0.40 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -9.297 3.431 5.761) 11.463 1.340 ( 6.506 -4.164 0.821) 7.768 1.618 ( 6.728 -4.966 8.951) 12.249 1.810 ( 0.514 -8.959 7.661) 11.799 2.057 ( -10.976 -3.998 -5.986) 13.125 2.159 ( 1.966 -9.288 0.328) 9.499 2.283 ( -7.655 -9.115 -5.777) 13.230 2.466 ( 1.887 -9.096 -3.708) 10.002 2.561 ( 14.125 -7.015 0.811) 15.792 2.764 ( 3.522 -2.433 -5.199) 6.735 2.907 ( 8.189 -12.731 5.613) 16.145 3.063 ( -0.245 -0.626 6.814) 6.848 3.104 ( -8.655 -10.635 -1.718) 13.819 3.246 ( -4.701 -0.187 -10.439) 11.451 3.372 ( 0.912 -6.839 5.777) 8.999 3.528 ( -4.094 -0.102 -4.643) 6.191 3.682 ( -5.491 4.254 -5.291) 8.731 3.816 ( -0.457 2.435 0.678) 2.569 3.900 ( 3.255 3.238 -7.238) 8.571 4.009 ( -1.488 4.597 -8.562) 9.831 4.211 ( -2.892 -3.636 7.064) 8.455 4.266 ( 0.441 1.121 4.166) 4.337 4.424 ( -0.537 1.745 4.977) 5.301 4.493 ( 3.341 -1.038 2.715) 4.428 4.601 ( -3.902 -2.166 -3.613) 5.743 4.695 ( -0.456 -2.287 -3.181) 3.944 4.868 ( 3.394 3.698 5.792) 7.664 4.875 ( 4.086 2.561 1.982) 5.214 4.883 ( 0.218 1.750 3.640) 4.045 5.114 ( 5.771 3.931 -0.820) 7.030 5.238 ( -0.505 1.980 0.705) 2.162 5.292 ( 5.841 -0.527 2.960) 6.570 5.401 ( 1.031 1.241 -1.744) 2.376 5.433 ( -1.940 2.947 -0.603) 3.580 5.443 ( -1.910 1.883 -8.827) 9.225 5.758 ( -0.941 2.673 1.333) 3.131 5.859 ( -3.869 5.341 4.206) 7.822 5.914 ( 5.409 2.928 10.554) 12.216 5.933 ( 2.358 5.617 0.291) 6.099 6.076 ( -3.496 2.634 0.841) 4.457 6.115 ( -3.631 1.456 -7.929) 8.842 6.276 ( -0.485 5.112 -2.745) 5.823 6.439 ( 1.058 0.310 -0.023) 1.102 6.491 ( 2.022 6.681 0.348) 6.989 6.599 ( -3.760 -3.943 -4.266) 6.920 6.709 ( -4.374 7.181 -1.827) 8.604 6.861 ( 6.782 0.939 4.093) 7.977 6.976 ( -6.066 0.615 -3.686) 7.124 7.124 ( -3.183 2.202 3.876) 5.478 7.299 ( 4.704 5.038 -1.592) 7.074 7.714 ( 2.855 2.362 4.557) 5.873 7.844 ( 0.659 -9.498 2.102) 9.750 7.967 ( -4.321 4.965 -1.667) 6.790 7.996 ( 3.530 1.014 0.043) 3.673 8.392 ( 1.335 -0.828 1.767) 2.365 8.503 ( -1.822 -7.182 -1.616) 7.583 9.461 ( 1.154 -1.911 2.253) 3.172 9.594 ( -0.987 -3.597 -2.155) 4.308 9.921 ( -1.711 -0.085 0.454) 1.772 9.939 ( 1.121 2.261 -0.275) 2.539 10.251 ( -2.347 2.741 -1.735) 4.004 10.261 ( 1.970 0.476 -1.758) 2.683 11.040 ( 3.062 -3.637 2.069) 5.185 11.130 ( -2.639 -4.244 -1.066) 5.110 12.434 ( 2.846 -2.141 2.468) 4.333 12.590 ( -2.619 -0.991 -2.993) 4.099 13.423 ( -0.056 0.952 -0.092) 0.958 13.449 ( 0.133 1.035 -0.951) 1.412 13.640 ( 7.694 0.611 6.609) 10.161 13.917 ( -2.751 0.653 -2.001) 3.464 14.398 ( 2.368 1.829 2.227) 3.730 14.444 ( 0.971 0.294 0.999) 1.424 14.510 ( -1.434 0.337 -0.433) 1.535 14.741 ( -8.823 5.368 -10.292) 14.580 15.261 ( 0.294 0.726 1.769) 1.934 15.322 ( 1.427 1.115 -0.864) 2.006 15.598 ( 1.427 0.267 1.476) 2.070 15.716 ( -2.123 0.606 -2.963) 3.695 16.298 ( -2.159 1.662 -0.636) 2.798 16.325 ( 0.743 4.170 -3.518) 5.507 16.490 ( 6.856 2.508 5.605) 9.203 16.836 ( -9.497 3.398 -7.489) 12.562 17.381 ( 6.339 0.892 6.287) 8.972 17.542 ( -3.272 2.684 0.373) 4.248 19.074 ( 8.444 0.736 5.060) 9.871 19.498 ( -12.466 2.911 -10.980) 16.865 21.188 ( 3.377 -1.363 5.260) 6.398 21.393 ( -2.403 -2.345 -2.768) 4.351 25.475 ( 5.297 8.036 5.123) 10.904 25.876 ( -10.602 17.924 -10.910) 23.510 27.261 ( 0.546 7.730 8.726) 11.670 27.452 ( -0.053 7.261 -0.574) 7.284 28.433 ( 0.197 -0.051 1.468) 1.482 28.487 ( 0.050 1.386 -0.372) 1.436 29.119 ( 0.405 -0.052 0.105) 0.421 29.123 ( -0.448 -0.434 -0.052) 0.625 31.689 ( -0.491 -3.529 1.580) 3.898 31.763 ( -0.684 -6.233 -0.889) 6.333 32.877 ( -0.566 -1.484 -1.148) 1.960 32.913 ( 3.625 -1.180 -1.156) 3.983 33.338 ( 3.401 -3.406 1.606) 5.074 33.382 ( -4.924 -2.394 1.878) 5.788 33.803 ( -1.261 -11.853 -3.161) 12.332 33.869 ( -1.203 -8.323 -3.853) 9.250 34.187 ( -0.566 -12.894 1.190) 12.962 34.314 ( 3.912 -6.830 -6.393) 10.140 35.295 ( 5.346 5.461 13.276) 15.319 35.683 ( -2.735 9.306 -3.645) 10.362 ======================= Grid point 154 (69/117) ======================= q-point: (-0.30 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -8.952 -6.341 5.333) 12.198 1.512 ( 12.396 -6.600 -3.998) 14.601 1.739 ( -3.347 -7.799 8.187) 11.793 1.968 ( -10.949 -9.504 -2.726) 14.752 2.132 ( -1.862 -6.632 4.331) 8.137 2.354 ( 4.256 -8.742 -1.952) 9.916 2.417 ( -5.615 -9.338 -6.068) 12.471 2.610 ( 4.314 -5.858 -6.067) 9.473 2.711 ( 7.519 -0.911 2.441) 7.957 2.845 ( 3.791 -3.383 0.339) 5.093 2.962 ( -3.413 5.719 -0.103) 6.661 3.143 ( -7.302 -3.105 -3.313) 8.598 3.284 ( 8.940 -12.976 7.819) 17.591 3.351 ( -5.171 -10.487 -4.782) 12.633 3.460 ( 2.429 0.446 -0.004) 2.470 3.487 ( -1.088 3.247 -1.514) 3.744 3.608 ( -5.366 -2.576 -1.200) 6.072 3.793 ( -0.322 2.656 -5.120) 5.777 3.862 ( 5.356 -1.994 0.852) 5.779 3.981 ( 0.976 0.111 -5.542) 5.629 4.226 ( 2.979 3.716 4.165) 6.327 4.238 ( -4.456 0.667 6.803) 8.160 4.350 ( -2.026 5.263 6.844) 8.868 4.532 ( -3.700 -1.618 -3.484) 5.333 4.633 ( -0.547 -2.299 -2.012) 3.104 4.716 ( 0.316 -1.018 -2.349) 2.580 4.785 ( 4.513 5.327 3.460) 7.792 4.827 ( 0.633 3.110 -0.368) 3.195 4.854 ( 0.977 1.647 0.832) 2.088 5.049 ( 2.625 3.462 -0.315) 4.356 5.175 ( 0.799 3.618 1.026) 3.845 5.281 ( -2.252 1.970 -4.149) 5.116 5.287 ( -6.244 5.332 -3.194) 8.810 5.469 ( 4.396 -1.721 -0.788) 4.786 5.488 ( 6.538 -2.300 7.378) 10.123 5.662 ( -4.683 10.097 1.358) 11.213 5.696 ( -2.601 3.177 -0.831) 4.189 5.864 ( 5.059 4.762 1.762) 7.167 5.900 ( 4.762 1.907 8.984) 10.346 6.027 ( -1.500 -0.039 -0.291) 1.528 6.087 ( -4.405 -0.133 -9.276) 10.269 6.203 ( -2.213 1.677 -1.687) 3.249 6.360 ( 4.153 6.720 2.792) 8.379 6.390 ( -5.942 5.902 -0.873) 8.420 6.599 ( 1.739 -1.362 0.405) 2.246 6.677 ( 0.439 -1.931 -2.028) 2.835 6.889 ( -2.442 0.296 -0.846) 2.601 6.908 ( -2.386 1.912 -1.459) 3.388 7.056 ( -3.842 0.936 1.991) 4.428 7.250 ( 7.036 2.807 -0.542) 7.594 7.688 ( 3.615 2.765 5.477) 7.121 7.865 ( -5.786 3.409 -3.244) 7.458 7.987 ( 4.829 0.953 0.652) 4.965 7.996 ( -2.094 -4.584 -2.540) 5.644 8.425 ( 2.982 -0.950 5.933) 6.708 8.606 ( -1.719 -4.951 -3.444) 6.272 9.523 ( 2.194 -3.082 2.686) 4.639 9.647 ( -2.029 -2.980 -3.339) 4.914 9.893 ( 1.291 2.287 1.179) 2.879 9.909 ( -1.751 1.004 -0.401) 2.058 10.184 ( -2.601 2.244 -1.032) 3.586 10.260 ( 1.918 0.736 -1.876) 2.782 11.130 ( 4.319 -3.016 2.996) 6.060 11.190 ( -3.441 -3.863 -1.699) 5.446 12.492 ( 3.198 -1.742 2.643) 4.500 12.588 ( -3.475 -0.766 -3.159) 4.759 13.393 ( -0.591 1.642 0.175) 1.754 13.434 ( 0.581 0.917 -0.830) 1.366 13.681 ( 9.245 1.013 7.457) 11.920 13.865 ( -5.336 1.829 -3.809) 6.806 14.388 ( 3.801 1.406 3.041) 5.067 14.449 ( 2.584 0.675 2.586) 3.717 14.487 ( -2.842 0.398 -2.505) 3.809 14.603 ( -8.060 2.518 -7.871) 11.544 15.266 ( 0.466 -0.798 1.173) 1.494 15.320 ( 1.628 0.087 -0.418) 1.683 15.611 ( 2.244 -0.419 1.537) 2.751 15.693 ( -1.734 0.246 -2.886) 3.375 16.243 ( -0.782 2.457 -0.450) 2.618 16.266 ( -0.674 2.279 -1.356) 2.736 16.488 ( 7.740 2.537 6.445) 10.387 16.700 ( -10.508 3.780 -7.659) 13.541 17.392 ( 3.779 1.434 4.670) 6.176 17.474 ( -3.255 2.193 -0.735) 3.993 19.117 ( 10.795 1.336 7.029) 12.951 19.362 ( -12.871 2.390 -10.419) 16.731 21.250 ( 4.107 -2.166 5.153) 6.936 21.408 ( -2.906 -1.063 -3.393) 4.592 25.350 ( 3.715 7.536 4.332) 9.453 25.521 ( -6.947 12.506 -5.927) 15.485 27.157 ( 1.103 4.187 5.074) 6.670 27.309 ( -1.274 6.683 -1.745) 7.024 28.436 ( 0.237 -0.020 0.678) 0.719 28.462 ( -0.380 1.003 -0.444) 1.161 29.120 ( 0.033 -0.017 0.293) 0.296 29.132 ( -0.005 -0.439 -0.188) 0.477 31.749 ( -0.554 -2.832 2.506) 3.822 31.873 ( -0.260 -5.327 -1.861) 5.648 32.902 ( -0.854 -1.617 -0.473) 1.889 32.963 ( 4.354 -1.432 -0.438) 4.604 33.371 ( -4.992 0.107 1.825) 5.316 33.402 ( 2.282 -1.238 1.359) 2.931 34.003 ( 2.600 -8.145 -2.593) 8.935 34.034 ( -4.390 -10.247 -4.750) 12.118 34.420 ( 1.305 -10.677 0.813) 10.787 34.485 ( 2.188 -8.610 -3.525) 9.558 35.216 ( 2.580 5.692 10.167) 11.934 35.502 ( -0.515 7.603 -3.377) 8.335 ======================= Grid point 155 (70/117) ======================= q-point: (-0.20 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -7.646 -7.743 4.131) 11.639 1.687 ( 6.625 -4.955 0.190) 8.276 1.904 ( 1.641 -8.324 -5.104) 9.901 2.020 ( -4.622 -0.549 -6.681) 8.142 2.219 ( -5.843 -6.095 4.591) 9.611 2.516 ( -3.361 -1.500 -3.303) 4.946 2.550 ( 3.476 -6.670 0.539) 7.541 2.658 ( -6.799 -2.343 -1.861) 7.429 2.760 ( 5.448 -1.122 -5.344) 7.713 2.839 ( 6.886 -0.154 -0.433) 6.901 3.061 ( 1.727 -9.662 4.949) 10.992 3.200 ( -4.966 -5.203 1.619) 7.372 3.305 ( 1.635 7.421 -0.542) 7.618 3.395 ( -2.146 0.443 -2.814) 3.566 3.449 ( 3.509 2.696 3.008) 5.351 3.511 ( -0.323 -0.629 2.819) 2.906 3.682 ( -4.230 -6.052 -0.633) 7.410 3.783 ( -0.056 -0.617 -1.401) 1.532 3.934 ( 4.580 2.164 -1.712) 5.347 4.013 ( 0.698 -5.039 -0.653) 5.129 4.072 ( 0.095 9.055 3.952) 9.880 4.158 ( -2.800 7.791 -0.858) 8.323 4.314 ( 0.804 -4.150 8.350) 9.359 4.543 ( -2.683 -3.281 -5.832) 7.209 4.644 ( 1.653 0.471 -0.700) 1.856 4.707 ( 3.079 2.540 2.411) 4.663 4.772 ( 1.561 1.720 -1.433) 2.729 4.832 ( -1.321 -3.433 -0.239) 3.686 4.868 ( 4.185 -3.361 -2.667) 5.993 5.021 ( 4.537 4.247 -0.802) 6.266 5.091 ( -6.512 4.331 3.602) 8.610 5.152 ( -1.683 2.451 1.082) 3.164 5.252 ( -0.412 0.717 -3.697) 3.788 5.441 ( -8.390 7.150 -2.609) 11.328 5.497 ( -0.065 2.161 -0.056) 2.163 5.523 ( 4.003 0.273 -3.121) 5.083 5.656 ( 0.542 1.583 7.005) 7.202 5.819 ( 3.400 1.684 2.620) 4.611 5.916 ( 4.840 -0.210 7.060) 8.562 6.039 ( 0.076 -0.756 -1.572) 1.746 6.063 ( -2.913 -0.890 -5.921) 6.659 6.157 ( -2.712 4.467 -0.528) 5.252 6.227 ( -5.443 2.490 -0.038) 5.986 6.304 ( 2.984 2.944 0.388) 4.210 6.631 ( 2.019 0.896 2.085) 3.037 6.730 ( -0.043 -1.032 -1.416) 1.753 6.820 ( -1.701 -2.876 2.559) 4.209 6.942 ( -0.983 -1.467 -0.550) 1.850 7.045 ( -0.993 -0.846 0.170) 1.315 7.265 ( 3.958 0.004 -2.284) 4.570 7.652 ( 2.130 3.350 3.988) 5.627 7.750 ( -3.807 4.622 -2.941) 6.671 7.973 ( 2.855 1.788 1.675) 3.762 8.047 ( -2.059 -2.034 -5.586) 6.292 8.458 ( 1.562 -0.368 6.891) 7.076 8.672 ( -0.347 -2.813 -4.052) 4.944 9.594 ( 2.279 -2.413 2.722) 4.293 9.682 ( -1.879 -2.189 -3.139) 4.263 9.864 ( 1.370 1.741 1.705) 2.795 9.876 ( -1.902 0.962 -0.662) 2.232 10.139 ( -1.922 0.914 -0.280) 2.147 10.257 ( 1.548 0.651 -2.205) 2.772 11.203 ( 4.741 -1.410 3.558) 6.093 11.227 ( -4.059 -2.453 -2.218) 5.236 12.540 ( 3.453 -1.005 2.661) 4.474 12.573 ( -3.850 -0.175 -3.139) 4.970 13.363 ( -0.372 1.044 0.599) 1.260 13.420 ( 0.367 0.701 -0.960) 1.244 13.717 ( 6.892 0.924 6.120) 9.263 13.793 ( -4.924 1.571 -3.925) 6.490 14.385 ( 1.698 0.913 1.691) 2.564 14.420 ( 0.629 2.615 -0.245) 2.701 14.492 ( 0.630 -1.346 0.934) 1.756 14.549 ( -4.526 -0.680 -3.663) 5.862 15.285 ( 0.075 -0.729 0.343) 0.810 15.333 ( 0.996 -0.407 -0.662) 1.263 15.639 ( 1.437 -1.040 0.906) 1.992 15.690 ( -0.365 -0.917 -2.073) 2.296 16.198 ( -2.093 1.449 -0.718) 2.645 16.227 ( 0.705 1.609 0.069) 1.758 16.498 ( 9.040 2.003 7.062) 11.645 16.566 ( -10.459 2.844 -7.445) 13.149 17.379 ( 0.779 1.508 2.502) 3.024 17.421 ( -1.810 1.468 -0.606) 2.408 19.164 ( 11.160 1.164 7.835) 13.686 19.248 ( -11.857 0.926 -9.131) 14.994 21.314 ( 3.293 -1.654 3.788) 5.285 21.399 ( -2.584 -0.166 -3.095) 4.035 25.252 ( 1.987 4.518 2.827) 5.688 25.313 ( -3.547 5.782 -2.920) 7.385 27.110 ( 0.970 1.696 2.806) 3.420 27.195 ( -1.344 4.109 -1.871) 4.710 28.436 ( 0.062 0.265 0.195) 0.334 28.445 ( -0.270 0.406 -0.409) 0.636 29.121 ( 0.029 -0.088 0.377) 0.388 29.139 ( 0.072 -0.254 -0.182) 0.321 31.788 ( -0.428 -1.490 3.095) 3.461 31.953 ( -0.045 -3.027 -2.717) 4.068 32.923 ( -0.695 -0.868 0.456) 1.202 33.023 ( 4.308 -2.027 -0.605) 4.799 33.329 ( -5.261 0.749 0.838) 5.380 33.420 ( 1.967 0.537 0.954) 2.251 34.142 ( 4.237 -3.813 0.118) 5.701 34.162 ( -5.115 -6.107 -5.452) 9.653 34.581 ( 4.048 -3.928 0.808) 5.698 34.665 ( -1.727 -9.819 -3.139) 10.453 35.121 ( -0.597 4.907 7.244) 8.770 35.400 ( 1.873 3.542 -1.672) 4.342 ======================= Grid point 156 (71/117) ======================= q-point: (-0.10 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -6.656 -0.349 2.343) 7.065 1.770 ( 1.085 -0.059 0.167) 1.100 1.899 ( 2.925 6.661 -4.177) 8.389 2.054 ( 5.451 0.183 -6.673) 8.618 2.291 ( -12.195 -6.832 -0.526) 13.988 2.422 ( 1.206 5.530 -3.835) 6.837 2.618 ( 1.796 -0.492 -3.688) 4.132 2.737 ( -0.974 -2.943 -7.545) 8.157 2.827 ( 5.330 -1.242 10.651) 11.974 2.946 ( 3.302 -7.216 -0.423) 7.947 3.078 ( -1.920 10.104 4.676) 11.298 3.218 ( 1.152 -1.428 -0.560) 1.918 3.273 ( 0.842 1.213 0.728) 1.646 3.364 ( -0.875 1.962 -4.419) 4.913 3.407 ( -4.612 -2.630 7.276) 9.007 3.527 ( 1.250 0.181 0.516) 1.365 3.656 ( 0.739 6.817 -0.850) 6.910 3.793 ( 0.071 -0.235 0.937) 0.969 3.947 ( -1.744 -1.335 0.926) 2.384 3.973 ( -0.126 -0.895 3.493) 3.609 3.991 ( 1.008 0.769 1.027) 1.632 4.194 ( 1.389 -7.881 -4.800) 9.332 4.382 ( -1.363 -2.531 6.038) 6.688 4.601 ( -3.576 -3.105 -3.307) 5.776 4.652 ( 4.430 1.854 2.092) 5.238 4.701 ( 0.664 0.766 0.951) 1.390 4.728 ( 3.704 2.166 -7.073) 8.272 4.864 ( -8.104 8.706 1.241) 11.959 4.885 ( -3.654 -3.059 -3.630) 5.991 4.961 ( 3.817 -1.316 -2.781) 4.902 5.028 ( 7.229 0.098 -0.340) 7.238 5.193 ( -6.217 -3.513 2.725) 7.643 5.226 ( 0.741 -0.679 2.143) 2.367 5.294 ( -1.020 4.082 -1.369) 4.425 5.453 ( -0.749 0.744 -2.395) 2.617 5.547 ( 3.692 -0.092 -4.158) 5.562 5.636 ( 0.259 0.412 3.640) 3.672 5.832 ( 0.529 -0.148 8.864) 8.881 5.971 ( 1.116 -0.540 -3.793) 3.991 5.991 ( -3.702 1.965 4.777) 6.355 6.077 ( -0.636 -1.911 -3.264) 3.835 6.096 ( -0.041 -1.832 1.881) 2.626 6.209 ( -0.895 -1.278 0.498) 1.638 6.280 ( 3.733 2.033 -0.317) 4.262 6.631 ( 2.934 0.617 2.538) 3.928 6.700 ( -3.192 0.277 -1.398) 3.495 6.908 ( -2.071 1.110 -0.309) 2.370 6.955 ( 2.290 -4.087 5.103) 6.927 7.046 ( -0.992 0.961 -1.306) 1.900 7.275 ( -0.095 0.347 -4.331) 4.346 7.590 ( -4.522 1.575 -2.802) 5.548 7.683 ( 5.584 2.312 2.458) 6.524 7.966 ( -0.241 -0.496 0.704) 0.894 8.083 ( 0.321 -3.019 -4.750) 5.637 8.450 ( -1.261 1.705 6.028) 6.390 8.707 ( 0.525 -0.827 -3.507) 3.642 9.632 ( 0.220 -0.450 1.902) 1.967 9.714 ( -0.011 -2.005 -1.101) 2.288 9.839 ( -1.159 0.952 -0.280) 1.526 9.858 ( 0.719 0.484 0.712) 1.122 10.127 ( -0.858 -0.550 0.326) 1.070 10.254 ( 0.771 0.363 -2.634) 2.769 11.229 ( -4.178 -0.640 -2.406) 4.863 11.242 ( 4.449 0.567 3.613) 5.759 12.544 ( -3.707 0.556 -2.935) 4.761 12.575 ( 3.565 -0.226 2.432) 4.321 13.352 ( -0.045 -0.054 0.901) 0.903 13.413 ( 0.081 0.159 -1.193) 1.206 13.706 ( -7.017 -0.107 -4.082) 8.119 13.784 ( 7.326 0.294 5.123) 8.944 14.381 ( -1.940 -0.999 -1.551) 2.677 14.390 ( 0.473 0.883 0.490) 1.115 14.525 ( 1.580 -0.939 2.334) 2.971 14.550 ( 0.811 -0.657 0.560) 1.185 15.289 ( -0.635 0.211 -0.315) 0.740 15.339 ( -0.072 0.251 -1.437) 1.461 15.658 ( -1.519 -0.880 -0.817) 1.936 15.718 ( 0.471 -1.529 -0.628) 1.719 16.168 ( -1.066 0.367 -0.736) 1.346 16.214 ( 1.701 0.624 1.061) 2.100 16.462 ( -9.559 1.205 -7.214) 12.036 16.535 ( 10.348 0.570 7.375) 12.720 17.352 ( -1.877 0.753 -0.150) 2.028 17.397 ( 1.155 0.858 0.831) 1.662 19.160 ( -10.917 -0.700 -7.716) 13.387 19.238 ( 11.067 -0.290 7.760) 13.519 21.333 ( -2.223 0.602 -0.725) 2.414 21.399 ( 1.963 -0.552 0.534) 2.108 25.204 ( -1.351 0.767 -0.116) 1.558 25.252 ( 1.471 -0.018 0.563) 1.575 27.091 ( -0.330 0.987 0.809) 1.318 27.149 ( 0.234 -0.117 -0.779) 0.822 28.428 ( -0.184 0.299 -0.252) 0.432 28.442 ( 0.171 -0.023 -0.164) 0.238 29.123 ( -0.029 -0.038 0.368) 0.372 29.143 ( 0.037 -0.143 -0.114) 0.187 31.801 ( -0.119 0.114 3.249) 3.253 31.983 ( 0.088 -0.217 -3.151) 3.160 32.923 ( -0.900 0.384 1.095) 1.469 33.093 ( 3.429 -2.588 -0.956) 4.401 33.277 ( -4.602 1.559 0.081) 4.860 33.420 ( 1.884 0.320 0.927) 2.124 34.183 ( -1.666 0.376 -2.627) 3.133 34.204 ( 2.459 0.799 -1.114) 2.816 34.634 ( 3.095 0.634 1.222) 3.388 34.803 ( -3.949 -5.961 -4.860) 8.645 35.041 ( -1.608 2.559 6.318) 7.004 35.380 ( 1.862 -0.110 -0.235) 1.880 ======================= Grid point 162 (72/117) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -5.988 -0.000 3.104) 6.745 1.379 ( -2.749 -0.000 3.489) 4.442 1.481 ( 13.129 0.000 5.287) 14.154 1.618 ( 3.845 0.000 14.410) 14.914 1.916 ( 9.734 0.000 -2.380) 10.021 2.042 ( 7.604 0.000 3.402) 8.330 2.146 ( 8.473 0.000 12.007) 14.695 2.234 ( -11.120 -0.000 -10.713) 15.441 2.276 ( -8.750 -0.000 -15.030) 17.392 2.569 ( -17.670 -0.000 -11.647) 21.163 2.810 ( -1.931 -0.000 -0.142) 1.936 2.847 ( -0.656 -0.000 5.170) 5.212 2.921 ( 9.435 0.000 11.243) 14.677 3.046 ( 4.243 0.000 8.027) 9.079 3.389 ( 0.843 0.000 -8.168) 8.211 3.503 ( -13.985 -0.000 -3.252) 14.358 3.774 ( -0.333 -0.000 -14.888) 14.891 3.935 ( -7.210 -0.000 -7.976) 10.752 3.977 ( 0.515 0.000 2.019) 2.084 4.103 ( 2.463 0.000 -1.533) 2.901 4.245 ( 1.508 0.000 -0.200) 1.521 4.333 ( 4.357 0.000 3.855) 5.818 4.451 ( 4.370 0.000 -1.370) 4.579 4.502 ( 0.031 0.000 -0.593) 0.594 4.540 ( -1.967 -0.000 1.336) 2.378 4.598 ( -0.107 -0.000 -1.866) 1.869 4.862 ( 7.700 0.000 6.213) 9.894 4.870 ( -0.335 -0.000 7.239) 7.247 4.983 ( 6.714 0.000 3.859) 7.744 5.087 ( -2.004 -0.000 4.002) 4.476 5.246 ( 5.259 0.000 1.228) 5.401 5.308 ( 4.937 0.000 -6.529) 8.185 5.429 ( 5.813 0.000 -3.020) 6.551 5.483 ( -1.095 -0.000 2.142) 2.405 5.530 ( -5.451 -0.000 -10.159) 11.528 5.797 ( -10.068 -0.000 -6.211) 11.830 5.981 ( 2.951 0.000 8.551) 9.046 6.005 ( -2.406 -0.000 4.901) 5.460 6.016 ( -1.231 -0.000 6.517) 6.632 6.095 ( 2.081 0.000 8.153) 8.414 6.246 ( -10.380 -0.000 -8.132) 13.186 6.408 ( 6.158 0.000 0.204) 6.161 6.429 ( -4.791 -0.000 -3.358) 5.851 6.516 ( 0.313 0.000 -5.601) 5.610 6.640 ( 0.993 0.000 -0.781) 1.264 6.867 ( -0.158 -0.000 0.446) 0.473 6.889 ( 1.179 0.000 -0.096) 1.183 7.075 ( -0.747 -0.000 0.493) 0.895 7.186 ( 7.076 0.000 3.481) 7.886 7.337 ( -4.730 -0.000 -0.175) 4.733 7.606 ( 0.913 0.000 8.088) 8.139 7.776 ( -0.117 -0.000 2.898) 2.900 7.990 ( 6.087 0.000 3.127) 6.843 8.167 ( -5.204 -0.000 -2.317) 5.696 8.289 ( 0.731 0.000 -2.436) 2.543 8.373 ( -1.017 -0.000 -3.231) 3.387 9.439 ( -1.188 -0.000 1.611) 2.001 9.503 ( 1.865 0.000 -0.721) 2.000 9.905 ( -1.592 -0.000 1.178) 1.981 9.984 ( 0.114 0.000 -1.611) 1.615 10.262 ( 2.202 0.000 -0.874) 2.369 10.319 ( -1.834 -0.000 -2.887) 3.421 10.950 ( 3.317 0.000 1.667) 3.712 11.029 ( -2.588 -0.000 -1.028) 2.784 12.381 ( 2.984 0.000 3.081) 4.289 12.566 ( -2.654 -0.000 -3.438) 4.343 13.432 ( 0.460 0.000 -0.194) 0.499 13.474 ( -0.347 -0.000 -1.522) 1.561 13.650 ( 7.356 0.000 6.715) 9.960 13.920 ( -1.111 -0.000 -1.684) 2.017 14.440 ( 1.498 0.000 0.969) 1.784 14.458 ( 0.153 0.000 0.089) 0.177 14.522 ( 0.246 0.000 1.637) 1.655 14.886 ( -8.483 -0.000 -12.296) 14.938 15.303 ( -0.893 -0.000 0.876) 1.251 15.347 ( 0.687 0.000 -0.995) 1.209 15.613 ( 1.197 0.000 1.368) 1.818 15.729 ( -2.023 -0.000 -3.020) 3.635 16.327 ( -2.408 -0.000 -0.434) 2.447 16.435 ( 1.861 0.000 -4.019) 4.428 16.561 ( 5.834 0.000 1.949) 6.151 16.903 ( -9.985 -0.000 -7.947) 12.761 17.403 ( 7.974 0.000 8.443) 11.613 17.608 ( -5.692 -0.000 1.248) 5.827 19.085 ( 8.926 0.000 4.891) 10.179 19.562 ( -13.706 -0.000 -13.803) 19.452 21.185 ( 0.410 0.000 3.619) 3.642 21.303 ( -1.359 -0.000 -1.194) 1.810 25.666 ( 7.792 0.000 7.190) 10.602 26.316 ( -16.648 -0.000 -22.198) 27.747 27.532 ( -8.297 -0.000 12.993) 15.416 27.622 ( 1.598 0.000 2.174) 2.698 28.440 ( -0.844 -0.000 3.719) 3.814 28.528 ( 0.656 0.000 0.099) 0.663 29.106 ( -0.417 -0.000 0.384) 0.567 29.127 ( -0.168 -0.000 -0.231) 0.286 31.592 ( 0.141 0.000 0.158) 0.212 31.606 ( -0.146 -0.000 -0.321) 0.353 32.867 ( 1.370 0.000 -1.913) 2.353 32.882 ( 2.678 0.000 -4.596) 5.319 33.216 ( 2.859 0.000 0.537) 2.909 33.261 ( -1.283 -0.000 -0.999) 1.626 33.559 ( 0.001 0.000 1.220) 1.220 33.608 ( 0.944 0.000 -0.451) 1.046 33.906 ( -3.598 -0.000 2.867) 4.601 34.195 ( 6.035 0.000 -11.200) 12.722 35.430 ( 7.975 0.000 17.860) 19.560 35.902 ( -4.259 -0.000 -3.866) 5.752 ======================= Grid point 163 (73/117) ======================= q-point: (-0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -11.803 9.430 8.437) 17.303 1.276 ( -5.996 -1.651 4.763) 7.833 1.603 ( 5.985 -3.738 1.235) 7.164 1.720 ( 4.063 -6.777 8.307) 11.465 1.985 ( -18.961 5.811 -4.915) 20.431 2.018 ( 4.645 -4.426 1.509) 6.591 2.116 ( -3.671 -1.821 -2.074) 4.593 2.289 ( 8.529 -10.698 3.345) 14.085 2.436 ( 7.102 -13.284 -4.239) 15.648 2.616 ( -6.771 -12.094 -9.686) 16.910 2.840 ( 4.377 -2.762 1.669) 5.438 2.874 ( -2.422 -3.102 3.109) 5.016 3.056 ( 10.269 -2.851 6.303) 12.382 3.178 ( 3.971 -10.860 7.124) 13.581 3.293 ( -6.922 6.384 -5.716) 11.016 3.473 ( -3.794 -2.026 -4.591) 6.291 3.714 ( -6.959 4.381 -12.394) 14.874 3.863 ( -5.304 0.762 -10.323) 11.631 3.958 ( 1.919 2.404 1.729) 3.529 4.080 ( -0.839 3.837 -1.786) 4.315 4.211 ( 0.594 2.833 0.963) 3.050 4.340 ( 5.487 2.644 2.423) 6.555 4.444 ( 0.620 1.168 1.538) 2.029 4.498 ( 2.227 -0.174 0.989) 2.443 4.551 ( -1.211 -0.877 0.454) 1.563 4.638 ( 0.625 -3.117 -2.595) 4.104 4.875 ( -0.791 -0.413 5.937) 6.003 4.912 ( 4.218 0.339 6.849) 8.050 5.000 ( 7.224 2.984 4.609) 9.073 5.145 ( 1.726 -4.859 2.740) 5.839 5.269 ( 3.275 2.161 -0.207) 3.930 5.321 ( 3.973 0.132 -3.783) 5.488 5.421 ( -1.217 2.167 0.176) 2.491 5.460 ( -5.139 2.666 -7.658) 9.600 5.492 ( 3.113 0.888 -3.470) 4.746 5.725 ( -10.371 -0.582 -4.459) 11.304 5.929 ( -6.944 2.535 8.113) 10.976 5.988 ( -4.251 -0.383 -0.128) 4.270 6.007 ( 5.596 3.478 8.041) 10.396 6.097 ( 1.462 2.389 2.377) 3.674 6.154 ( -3.989 2.901 -1.791) 5.248 6.364 ( -4.970 4.681 -6.053) 9.124 6.471 ( 6.680 -0.159 -0.737) 6.722 6.510 ( 2.947 -1.670 -1.055) 3.548 6.619 ( 2.238 3.537 -0.163) 4.189 6.802 ( -4.566 4.360 -6.015) 8.720 6.923 ( 4.852 -0.197 4.870) 6.877 7.005 ( -2.003 5.687 0.082) 6.030 7.165 ( 0.588 4.202 4.826) 6.426 7.350 ( 0.859 -1.481 -2.255) 2.831 7.684 ( 1.003 -7.273 6.074) 9.529 7.764 ( 0.592 1.157 3.801) 4.017 8.031 ( 6.498 1.096 1.890) 6.855 8.069 ( -4.864 5.801 -2.995) 8.142 8.332 ( -1.702 -4.198 -1.596) 4.802 8.395 ( 0.528 -3.126 -1.297) 3.425 9.439 ( -0.490 -0.894 1.693) 1.976 9.536 ( 1.009 -2.118 -1.108) 2.594 9.900 ( -2.412 -0.618 0.926) 2.657 9.975 ( 0.206 0.897 -1.105) 1.438 10.274 ( 0.625 0.715 -1.231) 1.555 10.287 ( -0.947 1.338 -2.465) 2.960 11.003 ( 4.954 -2.525 2.201) 5.980 11.040 ( -2.893 -2.895 -1.514) 4.364 12.417 ( 3.240 -1.545 3.414) 4.954 12.552 ( -3.655 -0.717 -3.878) 5.377 13.434 ( 0.345 0.207 -0.131) 0.423 13.465 ( -0.071 0.597 -1.299) 1.431 13.702 ( 8.974 0.224 7.551) 11.730 13.909 ( -2.292 0.244 -3.279) 4.008 14.445 ( 2.911 0.760 1.765) 3.488 14.453 ( 0.152 0.379 0.161) 0.439 14.518 ( 0.909 0.977 1.728) 2.184 14.782 ( -8.582 4.392 -12.474) 15.765 15.280 ( -1.022 1.312 0.911) 1.896 15.347 ( 0.805 0.602 -1.105) 1.494 15.618 ( 2.189 0.480 1.825) 2.891 15.712 ( -1.776 0.411 -3.245) 3.722 16.301 ( -3.379 0.782 -0.962) 3.599 16.409 ( 1.275 3.524 -4.118) 5.568 16.582 ( 7.480 1.927 5.590) 9.535 16.819 ( -10.905 1.734 -8.252) 13.785 17.440 ( 5.609 0.898 7.696) 9.565 17.555 ( -5.754 1.557 -0.001) 5.961 19.151 ( 12.165 0.367 7.070) 14.075 19.451 ( -14.771 1.636 -14.911) 21.052 21.190 ( 1.891 -0.459 4.875) 5.249 21.324 ( -2.706 -2.776 -2.411) 4.566 25.659 ( 7.453 6.027 8.617) 12.889 26.082 ( -16.327 11.756 -19.614) 28.098 27.408 ( -4.366 7.153 11.156) 13.953 27.575 ( -0.445 5.184 1.630) 5.452 28.434 ( -0.396 0.095 2.549) 2.582 28.515 ( -0.088 1.402 -0.024) 1.405 29.110 ( -0.342 -0.534 0.163) 0.655 29.123 ( -0.026 0.187 -0.099) 0.213 31.623 ( -0.292 -2.771 0.507) 2.832 31.650 ( -0.271 -4.593 -0.303) 4.611 32.863 ( 0.754 0.248 -2.081) 2.227 32.918 ( 3.955 -1.224 -2.213) 4.695 33.283 ( 3.226 -3.925 0.300) 5.089 33.290 ( -3.369 -3.499 0.747) 4.914 33.605 ( -1.174 -6.137 -0.291) 6.255 33.719 ( 1.698 -8.001 -2.868) 8.667 33.964 ( -1.263 -8.217 2.023) 8.557 34.253 ( 5.455 -2.841 -9.275) 11.129 35.441 ( 7.739 4.629 17.456) 19.648 35.813 ( -3.926 5.940 -4.888) 8.636 ======================= Grid point 164 (74/117) ======================= q-point: (-0.30 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -12.854 1.387 7.070) 14.735 1.370 ( -2.374 -10.877 2.592) 11.430 1.685 ( 0.688 -2.562 2.358) 3.549 1.761 ( -15.005 0.019 -1.572) 15.087 1.948 ( 2.224 -9.884 5.865) 11.706 2.178 ( -0.062 -9.865 -0.458) 9.876 2.195 ( -3.780 -9.750 -0.676) 10.479 2.511 ( 6.153 -7.444 -8.079) 12.591 2.745 ( 11.031 -7.729 8.946) 16.170 2.843 ( 7.226 -2.785 -6.734) 10.263 2.957 ( -5.517 -8.261 0.745) 9.961 2.992 ( 0.414 -16.192 -4.570) 16.829 3.094 ( 0.448 0.559 0.401) 0.821 3.124 ( -7.601 3.905 1.467) 8.670 3.434 ( 2.226 -10.246 2.894) 10.877 3.478 ( -0.385 -0.171 -3.027) 3.056 3.600 ( -5.261 2.282 -7.565) 9.493 3.806 ( -0.694 2.721 -2.772) 3.945 3.938 ( 3.454 2.837 -2.999) 5.383 4.003 ( 0.646 0.836 -3.782) 3.926 4.169 ( -2.802 0.080 2.835) 3.986 4.311 ( 4.609 3.296 4.534) 7.257 4.421 ( -0.500 2.256 3.719) 4.379 4.532 ( 1.276 0.758 2.161) 2.621 4.564 ( -0.699 -3.447 -1.234) 3.727 4.693 ( 0.256 -1.724 -2.277) 2.867 4.869 ( -0.447 1.017 2.407) 2.651 4.898 ( 0.872 3.052 3.873) 5.007 4.962 ( 7.565 5.651 4.319) 10.383 5.168 ( 1.280 7.613 1.256) 7.821 5.192 ( -6.072 -0.459 -3.070) 6.819 5.316 ( -0.726 2.038 -5.583) 5.987 5.336 ( -5.654 3.933 -4.110) 8.021 5.459 ( 5.028 -1.793 2.508) 5.898 5.504 ( 5.809 -0.263 0.438) 5.832 5.690 ( -7.889 -0.850 -2.301) 8.261 5.817 ( -3.903 6.438 7.597) 10.696 5.954 ( -3.298 1.548 -0.348) 3.660 5.969 ( 2.174 2.909 0.332) 3.647 6.056 ( 3.332 2.068 0.833) 4.009 6.077 ( -0.924 3.640 -0.277) 3.766 6.231 ( -5.041 4.145 -4.011) 7.661 6.475 ( 3.881 4.114 1.055) 5.753 6.541 ( 4.003 6.667 2.983) 8.329 6.581 ( 1.039 -1.612 -2.814) 3.405 6.677 ( 0.512 3.464 -2.079) 4.072 6.888 ( -5.914 1.795 -2.839) 6.801 6.944 ( 4.558 2.659 2.462) 5.823 7.073 ( -4.499 3.739 3.531) 6.833 7.348 ( 2.998 2.332 -1.813) 4.209 7.742 ( 0.234 1.704 4.280) 4.612 7.856 ( 1.334 -7.837 0.180) 7.951 7.916 ( -2.917 4.844 -0.985) 5.740 8.055 ( 5.740 1.707 0.511) 6.010 8.397 ( -0.920 -3.550 1.409) 3.928 8.493 ( 0.916 -5.670 -0.794) 5.798 9.479 ( 1.419 -2.932 2.429) 4.063 9.583 ( -0.490 -2.483 -2.489) 3.550 9.894 ( -2.643 -0.288 0.397) 2.688 9.951 ( 0.804 1.929 -0.266) 2.107 10.213 ( -3.190 2.732 -2.197) 4.740 10.288 ( 2.482 0.613 -0.993) 2.743 11.088 ( -2.183 -4.037 -1.078) 4.714 11.100 ( 4.398 -3.456 1.998) 5.939 12.475 ( 3.167 -2.108 3.271) 5.017 12.544 ( -4.189 -1.064 -3.900) 5.822 13.419 ( -0.472 1.341 -0.297) 1.453 13.455 ( 0.850 0.740 -0.647) 1.300 13.750 ( 6.586 0.629 6.207) 9.072 13.873 ( -2.595 1.597 -4.136) 5.138 14.448 ( 2.018 0.628 1.060) 2.364 14.458 ( 3.706 0.271 2.427) 4.439 14.495 ( -0.018 1.595 0.812) 1.790 14.630 ( -7.043 5.223 -8.976) 12.547 15.258 ( -0.840 0.161 0.550) 1.017 15.338 ( 1.180 0.745 -1.014) 1.725 15.627 ( 2.978 0.269 1.996) 3.595 15.690 ( -1.591 0.600 -3.274) 3.690 16.256 ( -4.143 1.360 -1.559) 4.631 16.335 ( 0.695 4.061 -1.606) 4.422 16.592 ( 8.718 2.484 7.635) 11.852 16.698 ( -11.192 3.243 -8.043) 14.159 17.441 ( 1.391 1.670 4.977) 5.431 17.487 ( -4.626 1.770 -0.656) 4.996 19.220 ( 13.424 1.230 8.300) 15.830 19.315 ( -14.873 2.090 -13.142) 19.957 21.235 ( 3.313 -2.077 5.529) 6.772 21.355 ( -3.107 -2.302 -3.670) 5.331 25.548 ( 5.248 9.450 7.637) 13.236 25.720 ( -12.655 14.105 -11.816) 22.332 27.263 ( -0.991 6.156 7.615) 9.842 27.438 ( -2.219 7.592 -0.661) 7.937 28.435 ( -0.113 -0.204 1.369) 1.388 28.483 ( -0.578 1.486 -0.411) 1.647 29.118 ( -0.364 -0.314 -0.217) 0.528 29.123 ( 0.253 -0.293 0.258) 0.465 31.684 ( -0.516 -3.474 1.474) 3.809 31.757 ( -0.166 -6.245 -1.048) 6.334 32.874 ( 0.450 -0.965 -1.382) 1.745 32.972 ( 5.320 -1.287 -0.209) 5.477 33.314 ( -5.801 -2.042 1.670) 6.373 33.379 ( 2.680 -3.071 1.409) 4.313 33.770 ( -2.905 -11.486 -3.153) 12.260 33.884 ( 3.202 -7.907 -3.370) 9.172 34.178 ( -0.813 -12.983 0.293) 13.011 34.376 ( 6.326 -6.296 -5.813) 10.651 35.367 ( 4.616 7.296 13.657) 16.157 35.652 ( -1.512 8.134 -4.412) 9.376 ======================= Grid point 165 (75/117) ======================= q-point: (-0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -7.262 -8.245 4.417) 11.842 1.629 ( 5.646 -11.135 -6.352) 14.007 1.681 ( -7.331 -5.774 9.104) 13.037 1.808 ( -11.767 -10.547 -5.017) 16.579 2.155 ( 5.338 -6.275 9.394) 12.494 2.340 ( -6.008 -10.200 -3.575) 12.366 2.422 ( 5.287 -9.884 -1.581) 11.321 2.660 ( 2.335 -1.070 -0.425) 2.603 2.727 ( -4.517 2.048 -12.592) 13.534 2.885 ( 2.892 -0.137 7.004) 7.579 2.986 ( 4.984 -0.936 -2.844) 5.814 3.075 ( -0.496 -2.047 3.720) 4.275 3.249 ( -6.789 -13.121 -7.251) 16.457 3.362 ( -0.020 -15.165 1.840) 15.277 3.440 ( -3.217 3.871 -2.692) 5.708 3.534 ( 2.560 2.417 3.343) 4.855 3.554 ( 0.742 -1.590 -0.211) 1.767 3.774 ( -2.433 0.922 -3.532) 4.387 3.922 ( 5.374 -2.164 1.127) 5.902 4.037 ( 6.336 1.102 -3.564) 7.353 4.188 ( -3.644 -1.404 3.664) 5.355 4.282 ( 4.716 2.969 4.310) 7.045 4.332 ( -1.061 6.193 6.192) 8.822 4.475 ( -4.061 2.095 -3.420) 5.707 4.640 ( 0.980 -2.358 0.184) 2.560 4.716 ( 0.080 -2.508 -1.515) 2.931 4.819 ( 0.076 5.085 -1.126) 5.208 4.836 ( 2.510 2.879 1.590) 4.137 4.914 ( 7.375 3.006 1.867) 8.180 5.065 ( -1.442 1.933 5.386) 5.901 5.135 ( -7.792 2.623 -0.743) 8.255 5.236 ( 3.039 4.102 -7.455) 9.035 5.266 ( -1.525 2.458 -5.112) 5.874 5.482 ( -7.262 2.521 0.244) 7.691 5.510 ( -0.371 0.471 -2.818) 2.881 5.622 ( 1.407 6.557 2.144) 7.041 5.695 ( -0.149 1.752 7.250) 7.460 5.907 ( -0.103 3.801 -2.102) 4.345 5.938 ( -0.367 -0.807 1.670) 1.891 6.024 ( 0.407 0.904 4.945) 5.044 6.049 ( 2.541 1.299 -4.135) 5.025 6.166 ( -3.152 -0.001 -1.855) 3.657 6.324 ( -3.991 10.301 -1.974) 11.222 6.432 ( 6.679 5.980 5.462) 10.498 6.613 ( -0.355 -2.176 -1.178) 2.499 6.709 ( 4.292 -1.689 1.197) 4.766 6.814 ( -4.628 3.073 -0.165) 5.558 6.904 ( -2.569 -0.311 -1.247) 2.873 7.028 ( 0.019 -0.104 0.857) 0.864 7.323 ( 4.793 2.592 -1.123) 5.564 7.695 ( -4.476 2.322 0.969) 5.134 7.824 ( 1.110 3.844 1.760) 4.371 7.965 ( -2.659 -3.226 -3.590) 5.511 8.057 ( 6.029 1.817 0.141) 6.299 8.452 ( 0.580 -1.869 4.605) 5.004 8.601 ( 1.609 -4.524 -2.219) 5.289 9.559 ( 3.155 -3.388 2.930) 5.479 9.621 ( -1.643 -2.422 -3.359) 4.455 9.873 ( -3.184 0.579 -0.622) 3.295 9.915 ( 1.371 2.265 0.985) 2.825 10.149 ( -2.529 1.798 -1.100) 3.292 10.287 ( 2.284 1.039 -1.299) 2.825 11.142 ( -3.852 -3.641 -1.782) 5.592 11.195 ( 5.338 -2.754 2.946) 6.690 12.534 ( 3.039 -1.836 2.933) 4.606 12.536 ( -4.208 -0.884 -3.615) 5.617 13.386 ( -0.568 1.569 0.074) 1.670 13.443 ( 0.989 1.122 -0.549) 1.593 13.734 ( -5.968 1.408 -3.023) 6.837 13.845 ( 6.204 2.068 3.394) 7.368 14.427 ( -1.149 2.376 -1.277) 2.932 14.476 ( 3.218 1.623 1.807) 4.032 14.484 ( 2.079 -0.226 1.585) 2.624 14.522 ( -1.627 1.280 -2.035) 2.902 15.265 ( -0.559 -1.130 -0.270) 1.289 15.336 ( 1.000 0.158 -0.846) 1.320 15.641 ( 1.730 0.141 0.573) 1.828 15.678 ( 0.362 -0.293 -1.977) 2.031 16.202 ( -4.019 1.326 -1.880) 4.631 16.274 ( 0.447 2.632 0.482) 2.713 16.559 ( -10.762 3.480 -7.307) 13.466 16.603 ( 9.417 2.522 8.108) 12.680 17.394 ( -5.353 1.434 -0.719) 5.588 17.445 ( 0.045 1.498 2.177) 2.643 19.184 ( -13.040 1.528 -10.061) 16.541 19.279 ( 12.821 1.844 8.288) 15.377 21.298 ( 2.273 -2.045 3.667) 4.774 21.371 ( -1.870 -1.273 -2.958) 3.724 25.388 ( -0.686 8.725 2.180) 9.019 25.433 ( -3.886 9.262 -2.654) 10.388 27.168 ( 0.201 3.744 4.614) 5.945 27.284 ( -2.404 6.387 -2.183) 7.165 28.438 ( -0.033 -0.098 0.676) 0.684 28.455 ( -0.600 0.954 -0.568) 1.262 29.120 ( 0.013 -0.108 0.172) 0.203 29.133 ( 0.108 -0.414 -0.046) 0.430 31.743 ( -0.604 -2.900 2.394) 3.808 31.870 ( 0.019 -5.334 -2.148) 5.750 32.899 ( 0.564 -1.275 -0.667) 1.545 33.029 ( 5.834 -1.019 0.632) 5.956 33.296 ( -6.616 -0.406 1.272) 6.749 33.429 ( 1.564 -0.790 1.062) 2.049 33.964 ( -4.479 -10.526 -4.266) 12.209 34.059 ( 4.738 -7.503 -1.785) 9.052 34.416 ( -1.667 -12.408 0.526) 12.530 34.537 ( 5.981 -5.704 -3.511) 8.980 35.244 ( 1.168 7.370 7.927) 10.886 35.507 ( 1.320 6.432 -1.996) 6.863 ======================= Grid point 166 (76/117) ======================= q-point: (-0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -3.326 -7.729 2.039) 8.658 1.713 ( -1.699 -4.351 2.029) 5.093 1.935 ( 3.069 -11.130 -7.335) 13.679 1.953 ( -6.358 -9.481 -1.745) 11.548 2.194 ( 2.298 4.051 1.956) 5.051 2.425 ( -7.961 -1.604 -6.807) 10.596 2.555 ( -5.354 -3.024 -5.103) 7.991 2.633 ( 3.349 -7.170 5.307) 9.528 2.814 ( 2.853 -4.705 -0.358) 5.514 2.936 ( 7.745 0.179 -1.481) 7.887 3.102 ( 3.881 -5.615 3.753) 7.789 3.152 ( -1.818 -6.850 3.156) 7.758 3.306 ( -2.186 5.444 -2.243) 6.281 3.364 ( -2.267 0.609 -1.987) 3.076 3.436 ( -0.661 3.463 -2.606) 4.384 3.528 ( -2.159 -1.295 2.447) 3.511 3.626 ( -1.826 -6.092 2.166) 6.719 3.790 ( -0.354 -1.727 0.679) 1.889 3.976 ( 2.627 2.265 -1.256) 3.689 4.052 ( 1.844 2.444 -1.628) 3.468 4.058 ( 0.962 5.443 1.844) 5.827 4.165 ( 3.527 8.824 4.906) 10.695 4.339 ( 1.936 -4.078 6.537) 7.944 4.503 ( -2.597 -4.533 -3.562) 6.323 4.672 ( 3.024 -1.609 -0.609) 3.479 4.705 ( -2.741 4.324 -4.053) 6.530 4.798 ( 2.168 -2.756 -1.250) 3.722 4.817 ( -1.096 -0.104 -1.030) 1.507 4.933 ( 1.623 1.087 -3.093) 3.658 5.002 ( -0.228 5.780 3.779) 6.909 5.064 ( -2.418 -0.878 3.459) 4.311 5.166 ( 3.198 4.107 -0.482) 5.227 5.227 ( -1.668 0.462 -4.677) 4.987 5.349 ( -4.656 3.212 -3.746) 6.784 5.472 ( -3.080 2.733 0.096) 4.119 5.563 ( 1.782 0.733 -2.025) 2.796 5.664 ( -0.307 2.044 4.603) 5.046 5.856 ( 1.327 1.737 4.191) 4.727 5.959 ( 0.614 -1.139 3.944) 4.151 6.037 ( -0.759 -1.819 1.546) 2.505 6.054 ( 3.182 -0.325 -2.033) 3.790 6.101 ( -4.810 9.147 -1.631) 10.463 6.167 ( -2.663 -1.381 -2.309) 3.785 6.388 ( 8.202 4.180 5.185) 10.566 6.628 ( -4.767 -0.581 -0.961) 4.897 6.702 ( -0.078 1.152 0.452) 1.240 6.853 ( 4.214 -5.252 3.691) 7.679 6.910 ( -3.036 -1.129 -1.506) 3.573 7.041 ( -0.194 -0.764 -0.795) 1.119 7.305 ( 2.569 1.909 -2.917) 4.331 7.599 ( -7.278 3.005 -2.889) 8.388 7.776 ( 4.781 3.578 4.571) 7.520 7.966 ( -3.254 0.230 -2.616) 4.182 8.064 ( 4.314 0.410 -1.945) 4.750 8.470 ( -0.093 0.397 5.336) 5.352 8.677 ( 1.494 -2.534 -3.136) 4.299 9.629 ( 2.919 -1.266 3.017) 4.385 9.660 ( -1.300 -2.798 -2.614) 4.044 9.840 ( -2.801 0.405 -1.095) 3.034 9.886 ( 1.190 1.742 1.409) 2.537 10.116 ( -1.459 0.349 -0.459) 1.569 10.277 ( 1.701 1.165 -1.700) 2.672 11.174 ( -3.937 -2.269 -1.718) 4.858 11.266 ( 4.530 -1.223 2.949) 5.542 12.522 ( -3.644 -0.335 -3.081) 4.784 12.583 ( 2.810 -1.183 2.430) 3.899 13.359 ( -0.363 0.844 0.558) 1.075 13.427 ( 0.745 1.031 -0.749) 1.477 13.659 ( -8.789 0.747 -5.559) 10.427 13.854 ( 6.818 1.652 5.373) 8.836 14.372 ( -2.204 1.496 -2.015) 3.340 14.427 ( -0.814 2.526 -0.679) 2.739 14.514 ( 1.928 -1.049 1.758) 2.812 14.554 ( 5.783 -0.944 3.992) 7.091 15.281 ( -0.544 -0.660 -0.668) 1.085 15.339 ( 0.065 -0.025 -1.302) 1.304 15.643 ( -0.403 -0.057 -1.443) 1.500 15.700 ( 1.553 -0.910 -0.475) 1.861 16.163 ( -2.122 0.453 -1.344) 2.553 16.240 ( 0.422 1.275 1.293) 1.865 16.436 ( -9.373 2.383 -6.376) 11.584 16.622 ( 9.418 1.740 7.651) 12.258 17.340 ( -5.397 0.418 -1.849) 5.720 17.422 ( 0.526 1.058 1.715) 2.083 19.087 ( -10.845 0.480 -7.819) 13.379 19.324 ( 11.385 1.465 7.705) 13.825 21.322 ( -2.290 -0.286 -1.421) 2.710 21.395 ( 2.166 -1.271 1.190) 2.780 25.240 ( -3.517 4.385 -1.559) 5.834 25.304 ( 1.642 4.473 1.995) 5.166 27.119 ( 0.179 1.910 2.381) 3.058 27.176 ( -1.296 3.321 -1.935) 4.057 28.434 ( -0.204 0.435 -0.139) 0.500 28.443 ( -0.155 0.049 -0.152) 0.222 29.122 ( 0.106 -0.060 0.324) 0.347 29.139 ( 0.045 -0.233 -0.114) 0.263 31.785 ( -0.461 -1.676 3.028) 3.491 31.951 ( 0.090 -3.040 -2.910) 4.210 32.921 ( 0.397 -0.439 0.392) 0.709 33.083 ( 4.900 -1.067 0.071) 5.016 33.261 ( -5.175 -0.034 0.202) 5.179 33.436 ( 0.509 0.404 0.911) 1.119 34.096 ( -4.308 -6.111 -3.760) 8.369 34.206 ( 5.152 -4.118 -0.357) 6.606 34.612 ( -2.719 -8.705 0.566) 9.138 34.649 ( 3.321 -3.199 -2.495) 5.243 35.124 ( 0.862 5.637 4.291) 7.137 35.422 ( 1.361 3.420 -0.127) 3.683 ======================= Grid point 173 (77/117) ======================= q-point: (-0.40 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -12.930 -0.000 3.166) 13.312 1.325 ( -7.187 -0.000 10.854) 13.018 1.514 ( -15.654 -0.000 6.682) 17.020 1.613 ( 3.289 0.000 -0.256) 3.299 1.964 ( -9.125 -0.000 7.354) 11.719 1.987 ( -24.369 -0.000 -14.632) 28.425 2.121 ( -2.494 -0.000 -16.160) 16.352 2.262 ( 24.669 0.000 12.228) 27.533 2.279 ( 2.376 0.000 15.397) 15.579 2.393 ( -5.566 -0.000 -13.915) 14.987 2.824 ( 4.032 0.000 1.423) 4.276 2.889 ( 7.128 0.000 -1.098) 7.212 3.109 ( 16.135 0.000 10.762) 19.395 3.133 ( 10.669 0.000 5.863) 12.174 3.342 ( -11.025 -0.000 -1.330) 11.105 3.413 ( 2.944 0.000 -4.828) 5.655 3.748 ( -1.807 -0.000 -11.343) 11.486 3.767 ( -15.980 -0.000 -19.462) 25.182 4.004 ( 2.764 0.000 3.560) 4.507 4.139 ( 2.924 0.000 0.157) 2.928 4.233 ( -2.549 -0.000 -0.629) 2.626 4.371 ( 1.071 0.000 0.642) 1.249 4.476 ( 0.688 0.000 -0.481) 0.839 4.502 ( 0.163 0.000 0.785) 0.802 4.586 ( 6.037 0.000 1.383) 6.193 4.602 ( 0.794 0.000 -1.336) 1.554 4.864 ( -1.353 -0.000 7.226) 7.352 4.968 ( 6.225 0.000 5.389) 8.234 5.040 ( -0.474 -0.000 -2.977) 3.014 5.095 ( 4.763 0.000 10.420) 11.457 5.308 ( 4.402 0.000 -0.716) 4.460 5.335 ( 1.222 0.000 -4.732) 4.887 5.430 ( -7.925 -0.000 -8.451) 11.585 5.478 ( 1.804 0.000 -6.655) 6.895 5.511 ( 3.493 0.000 3.079) 4.656 5.647 ( -11.127 -0.000 -5.678) 12.492 5.891 ( -10.181 -0.000 7.908) 12.892 5.909 ( -13.889 -0.000 -3.293) 14.274 6.083 ( 5.878 0.000 8.849) 10.624 6.146 ( -3.180 -0.000 2.125) 3.825 6.170 ( 6.909 0.000 7.941) 10.526 6.375 ( -4.426 -0.000 -6.811) 8.123 6.514 ( 9.899 0.000 -0.195) 9.901 6.529 ( 1.895 0.000 -3.628) 4.094 6.673 ( 4.211 0.000 1.290) 4.404 6.809 ( -4.947 -0.000 -7.807) 9.243 6.953 ( 5.181 0.000 4.597) 6.926 7.065 ( -0.914 -0.000 0.055) 0.916 7.274 ( -4.774 -0.000 -2.258) 5.281 7.305 ( 11.701 0.000 7.587) 13.946 7.596 ( -2.903 -0.000 7.633) 8.166 7.773 ( -0.685 -0.000 2.510) 2.602 8.091 ( -6.459 -0.000 -5.120) 8.242 8.102 ( 10.483 0.000 4.839) 11.546 8.287 ( -0.836 -0.000 -1.289) 1.537 8.358 ( -1.057 -0.000 -3.531) 3.686 9.423 ( -1.473 -0.000 0.732) 1.645 9.525 ( 1.452 0.000 -0.234) 1.470 9.876 ( -2.932 -0.000 1.194) 3.166 9.978 ( -0.838 -0.000 -1.352) 1.591 10.286 ( -2.877 -0.000 -3.568) 4.584 10.292 ( 2.471 0.000 -0.047) 2.471 10.992 ( -2.926 -0.000 -1.690) 3.379 11.016 ( 6.550 0.000 2.212) 6.913 12.424 ( 3.296 0.000 3.902) 5.108 12.518 ( -4.448 -0.000 -4.380) 6.242 13.439 ( 0.659 0.000 0.010) 0.659 13.469 ( -0.251 -0.000 -1.709) 1.727 13.764 ( 8.984 0.000 7.179) 11.500 13.893 ( -3.298 -0.000 -5.387) 6.316 14.456 ( -0.670 -0.000 -0.607) 0.904 14.461 ( 1.130 0.000 0.353) 1.184 14.556 ( 6.114 0.000 4.983) 7.887 14.772 ( -7.905 -0.000 -13.679) 15.798 15.287 ( -1.653 -0.000 0.512) 1.731 15.355 ( 0.544 0.000 -0.764) 0.938 15.639 ( 2.841 0.000 1.960) 3.452 15.707 ( -1.130 -0.000 -3.222) 3.414 16.285 ( -3.969 -0.000 -1.083) 4.114 16.457 ( 1.993 0.000 -4.382) 4.814 16.650 ( 7.835 0.000 5.799) 9.748 16.763 ( -11.136 -0.000 -7.889) 13.647 17.483 ( 3.745 0.000 8.025) 8.856 17.528 ( -7.424 -0.000 -1.283) 7.534 19.243 ( 14.843 0.000 8.607) 17.158 19.368 ( -15.542 -0.000 -17.416) 23.343 21.195 ( 0.733 0.000 4.056) 4.121 21.273 ( -3.332 -0.000 -1.559) 3.679 25.775 ( 8.263 0.000 11.471) 14.137 26.081 ( -18.422 -0.000 -24.550) 30.693 27.446 ( -6.801 -0.000 10.693) 12.673 27.623 ( -1.846 -0.000 3.446) 3.909 28.432 ( -0.785 -0.000 2.805) 2.913 28.528 ( -0.679 -0.000 0.489) 0.837 29.101 ( -0.433 -0.000 0.182) 0.469 29.125 ( -0.195 -0.000 -0.208) 0.285 31.593 ( -0.031 -0.000 0.229) 0.231 31.603 ( -0.187 -0.000 -0.377) 0.421 32.884 ( 1.382 0.000 -1.298) 1.896 32.912 ( 2.573 0.000 -3.821) 4.606 33.252 ( 2.817 0.000 0.893) 2.955 33.257 ( 0.950 0.000 -1.827) 2.059 33.558 ( -0.212 -0.000 1.155) 1.174 33.622 ( 1.185 0.000 -0.432) 1.261 33.883 ( -0.046 -0.000 0.661) 0.663 34.255 ( 4.699 0.000 -9.842) 10.906 35.556 ( 10.346 0.000 20.156) 22.656 35.841 ( -4.695 -0.000 -6.070) 7.674 ======================= Grid point 174 (78/117) ======================= q-point: (-0.30 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -14.024 11.798 12.588) 22.233 1.160 ( -11.522 -5.481 4.787) 13.628 1.478 ( -26.850 -5.526 -8.663) 28.749 1.748 ( -8.675 -4.228 0.908) 9.693 1.812 ( 4.273 -4.961 3.011) 7.207 2.015 ( -6.740 -7.157 4.662) 10.880 2.082 ( -0.085 0.536 -6.675) 6.697 2.381 ( -6.984 -10.850 3.578) 13.390 2.474 ( 10.029 -9.742 3.003) 14.301 2.612 ( 6.877 -16.541 -4.872) 18.564 2.894 ( 3.279 -0.519 5.852) 6.728 2.956 ( 14.428 -3.081 -5.061) 15.597 3.160 ( -3.817 5.323 1.506) 6.721 3.225 ( 11.338 4.452 1.794) 12.312 3.258 ( 2.190 -5.133 4.166) 6.965 3.467 ( 1.809 -2.061 -1.635) 3.193 3.595 ( -9.200 2.655 -13.068) 16.201 3.795 ( -3.448 -3.283 -9.862) 10.952 3.979 ( 1.039 2.306 1.670) 3.031 4.083 ( 1.206 6.434 -1.296) 6.673 4.215 ( 0.541 1.424 0.634) 1.650 4.390 ( 2.387 0.175 1.047) 2.612 4.447 ( -0.240 2.420 0.401) 2.465 4.512 ( 0.070 -1.391 -0.073) 1.394 4.572 ( 3.187 2.569 1.746) 4.451 4.648 ( 1.146 -2.960 -1.398) 3.468 4.870 ( -0.605 -0.734 5.440) 5.523 4.945 ( 0.616 1.965 3.097) 3.719 5.091 ( 2.068 -0.376 -0.147) 2.107 5.109 ( -2.645 -0.043 3.364) 4.279 5.320 ( -8.569 4.091 -2.977) 9.951 5.326 ( 2.197 2.313 -8.611) 9.183 5.347 ( 0.274 1.052 3.470) 3.636 5.479 ( 4.574 0.083 0.146) 4.577 5.525 ( -0.251 -0.669 -4.709) 4.763 5.600 ( -4.854 -1.531 -3.043) 5.930 5.814 ( -11.564 0.079 4.674) 12.473 5.892 ( -8.276 -3.937 -3.148) 9.690 6.079 ( 4.676 3.738 7.339) 9.470 6.100 ( 0.183 3.032 3.732) 4.812 6.176 ( 3.854 3.892 5.817) 7.990 6.295 ( -4.719 4.772 -7.536) 10.091 6.548 ( 5.291 -0.096 0.633) 5.330 6.578 ( 6.901 0.041 -2.111) 7.217 6.673 ( 6.248 2.982 3.786) 7.890 6.742 ( -4.218 3.166 -6.522) 8.387 6.917 ( -2.945 5.064 -1.321) 6.005 7.050 ( 6.143 1.904 4.089) 7.621 7.171 ( -0.499 8.266 5.602) 9.998 7.354 ( -0.312 -0.721 -1.884) 2.042 7.710 ( 3.423 -9.193 5.222) 11.112 7.765 ( -0.818 0.667 2.943) 3.127 7.994 ( -5.189 4.665 -4.538) 8.324 8.143 ( 9.474 2.652 2.744) 10.213 8.304 ( -2.600 -3.190 -1.193) 4.285 8.405 ( 1.511 -4.789 -0.169) 5.024 9.431 ( -0.644 -2.019 1.055) 2.367 9.548 ( 0.712 -1.429 -0.964) 1.865 9.865 ( -2.970 -0.685 1.173) 3.266 9.972 ( -0.402 0.161 -1.101) 1.183 10.242 ( -3.003 2.215 -3.133) 4.872 10.310 ( 2.481 -0.026 -0.261) 2.495 11.001 ( -2.892 -2.698 -1.524) 4.238 11.082 ( 6.701 -2.202 2.054) 7.347 12.459 ( 2.906 -1.464 3.687) 4.918 12.496 ( -4.670 -0.828 -4.345) 6.432 13.437 ( 0.080 0.717 -0.421) 0.835 13.468 ( 0.598 0.041 -1.051) 1.210 13.797 ( 1.919 1.671 1.783) 3.107 13.876 ( -0.214 -0.652 -3.794) 3.855 14.447 ( -1.261 0.072 -1.012) 1.618 14.468 ( 0.149 -0.231 -0.529) 0.596 14.582 ( 9.481 2.665 6.760) 11.946 14.682 ( -5.632 3.909 -10.100) 12.207 15.262 ( -1.854 1.067 0.456) 2.187 15.355 ( 0.576 0.361 -1.113) 1.304 15.656 ( 3.498 0.391 2.159) 4.129 15.693 ( -0.870 0.635 -3.138) 3.317 16.251 ( -4.211 0.883 -1.188) 4.464 16.419 ( 0.536 4.203 -3.248) 5.339 16.674 ( -10.484 1.791 -6.941) 12.700 16.689 ( 8.202 1.472 7.167) 10.991 17.458 ( -7.874 1.598 -1.475) 8.169 17.495 ( 0.357 0.770 5.382) 5.448 19.247 ( -15.577 1.458 -15.737) 22.191 19.335 ( 15.528 0.800 9.296) 18.116 21.216 ( 1.563 -1.576 4.664) 5.165 21.282 ( -3.566 -2.868 -2.710) 5.319 25.755 ( 5.858 7.352 10.973) 14.449 25.857 ( -16.991 9.428 -18.995) 27.173 27.359 ( -4.492 4.685 8.785) 10.923 27.551 ( -3.812 5.464 2.055) 6.972 28.429 ( -0.569 -0.167 2.018) 2.103 28.507 ( -1.171 1.380 0.031) 1.811 29.105 ( -0.344 -0.569 -0.159) 0.684 29.123 ( -0.136 0.009 0.070) 0.154 31.621 ( -0.136 -2.593 0.348) 2.620 31.648 ( -0.067 -4.585 -0.425) 4.606 32.874 ( 1.253 0.553 -1.535) 2.057 32.965 ( 3.529 -2.533 -1.085) 4.478 33.255 ( -2.154 -0.485 1.370) 2.599 33.326 ( 3.642 -3.938 -0.403) 5.379 33.590 ( -1.171 -5.220 -0.106) 5.351 33.746 ( 2.693 -8.537 -3.498) 9.611 33.965 ( 1.460 -8.054 0.114) 8.186 34.315 ( 5.389 -3.703 -8.160) 10.456 35.554 ( 8.143 7.151 17.789) 20.830 35.765 ( -2.612 4.668 -5.362) 7.574 ======================= Grid point 175 (79/117) ======================= q-point: (-0.20 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -9.096 -1.808 5.953) 11.020 1.320 ( -4.631 -15.603 5.335) 17.128 1.478 ( -20.960 -11.186 -3.357) 23.994 1.676 ( -5.342 1.572 1.843) 5.865 2.053 ( 6.033 -9.852 2.963) 11.927 2.135 ( 1.121 -5.938 2.862) 6.686 2.201 ( -0.125 -13.924 1.880) 14.050 2.568 ( -1.456 -9.519 -9.567) 13.574 2.734 ( -4.989 -10.239 10.200) 15.290 2.904 ( 1.200 -5.244 -8.739) 10.262 2.927 ( -5.380 -4.307 -4.255) 8.099 2.977 ( 1.192 3.447 -5.349) 6.475 3.082 ( 5.270 -1.371 1.386) 5.619 3.192 ( 11.071 -0.257 4.555) 11.974 3.404 ( -2.775 -8.088 1.768) 8.732 3.483 ( -1.552 0.190 -3.445) 3.783 3.596 ( 3.877 -1.207 -2.461) 4.748 3.790 ( -1.672 2.236 -4.116) 4.973 3.992 ( 4.930 0.368 0.435) 4.963 4.012 ( 1.544 -1.704 1.432) 2.709 4.155 ( 0.049 3.678 -2.279) 4.327 4.368 ( 3.648 3.091 3.344) 5.835 4.419 ( 0.125 2.102 2.168) 3.022 4.526 ( -0.112 1.440 1.897) 2.384 4.579 ( 1.256 -2.872 0.945) 3.274 4.698 ( 0.803 -0.891 -1.799) 2.162 4.875 ( 0.505 0.587 2.247) 2.377 4.901 ( 0.130 2.830 -0.479) 2.873 5.060 ( 6.316 5.344 5.491) 9.929 5.079 ( -10.603 -0.339 -3.665) 11.224 5.145 ( -2.856 6.170 1.226) 6.908 5.283 ( -4.055 2.971 -2.984) 5.846 5.316 ( 0.032 0.579 -5.425) 5.456 5.490 ( -1.154 2.024 -2.091) 3.130 5.519 ( -0.905 0.451 -4.905) 5.008 5.655 ( 2.020 -3.144 4.274) 5.677 5.747 ( -7.671 2.064 6.221) 10.090 5.869 ( -6.083 1.302 -6.636) 9.095 6.016 ( 3.363 5.189 -0.277) 6.190 6.061 ( -0.728 1.261 1.191) 1.881 6.115 ( 2.472 2.399 5.362) 6.373 6.182 ( -1.479 4.209 -0.844) 4.541 6.501 ( -0.586 8.291 -1.867) 8.519 6.572 ( 1.482 3.002 1.982) 3.890 6.626 ( 6.064 4.501 2.499) 7.955 6.730 ( 6.952 -0.821 1.541) 7.168 6.825 ( -3.213 1.457 -2.549) 4.353 6.949 ( -5.416 8.848 2.391) 10.646 7.056 ( 2.315 2.101 2.326) 3.897 7.372 ( 1.169 -0.652 -1.982) 2.391 7.715 ( -4.303 3.084 1.365) 5.467 7.875 ( 1.440 -4.888 -2.318) 5.598 7.905 ( 0.910 3.056 1.567) 3.553 8.135 ( 6.731 2.665 -0.692) 7.272 8.375 ( -2.195 -5.242 0.041) 5.684 8.533 ( 5.666 -5.210 2.570) 8.115 9.498 ( 1.341 -4.285 1.356) 4.690 9.578 ( -0.036 -1.611 -1.796) 2.413 9.857 ( -3.176 -0.180 0.565) 3.231 9.958 ( 0.399 1.379 -0.550) 1.537 10.176 ( -2.305 2.491 -1.784) 3.834 10.319 ( 2.396 0.715 -0.783) 2.620 11.047 ( -3.084 -3.742 -1.145) 4.982 11.173 ( 5.615 -2.961 1.894) 6.624 12.486 ( -4.261 -1.265 -3.780) 5.835 12.513 ( 2.370 -2.104 2.991) 4.358 13.413 ( -0.474 1.507 -0.551) 1.673 13.469 ( 1.559 0.668 -0.239) 1.713 13.725 ( -8.081 2.575 -6.262) 10.542 13.906 ( 5.046 0.154 2.680) 5.716 14.437 ( -1.809 0.195 -1.869) 2.609 14.467 ( -1.740 -0.101 -1.601) 2.366 14.573 ( 2.025 3.937 -0.669) 4.477 14.591 ( 8.846 3.629 5.565) 11.063 15.242 ( -1.597 -0.371 -0.449) 1.700 15.349 ( 0.719 0.563 -1.325) 1.609 15.662 ( 1.065 0.975 -0.679) 1.595 15.683 ( 2.018 0.045 -0.376) 2.053 16.203 ( -3.572 1.334 -1.184) 3.993 16.333 ( -1.256 3.858 -0.442) 4.081 16.554 ( -10.847 3.166 -7.046) 13.316 16.711 ( 9.092 2.300 8.486) 12.647 17.371 ( -9.654 1.257 -3.114) 10.222 17.473 ( -0.650 1.443 4.125) 4.418 19.125 ( -13.056 1.206 -10.745) 16.952 19.405 ( 14.026 2.069 8.870) 16.724 21.265 ( -0.008 -2.290 1.835) 2.935 21.324 ( -0.611 -2.831 -1.306) 3.177 25.537 ( -11.714 10.245 -8.122) 17.554 25.626 ( 2.668 10.718 7.030) 13.093 27.248 ( -1.944 4.615 6.041) 7.847 27.397 ( -4.126 7.160 -1.156) 8.344 28.432 ( -0.371 -0.352 1.145) 1.254 28.472 ( -0.981 1.309 -0.530) 1.720 29.114 ( -0.139 -0.477 -0.337) 0.600 29.125 ( 0.020 -0.358 0.389) 0.529 31.679 ( -0.417 -3.331 1.317) 3.606 31.758 ( 0.401 -6.206 -1.651) 6.435 32.886 ( 1.645 -0.750 -1.051) 2.092 33.039 ( 5.083 -2.167 1.336) 5.684 33.241 ( -5.827 -0.581 2.068) 6.211 33.411 ( 2.411 -2.351 -0.009) 3.367 33.735 ( -2.326 -10.146 -2.215) 10.642 33.929 ( 3.759 -8.564 -4.489) 10.374 34.172 ( 0.266 -11.811 1.123) 11.867 34.460 ( 7.596 -6.655 -6.280) 11.892 35.420 ( 2.383 9.580 10.131) 14.145 35.645 ( 0.837 6.912 -1.791) 7.189 ======================= Grid point 176 (80/117) ======================= q-point: (-0.10 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -0.340 -9.754 2.478) 10.070 1.585 ( -7.440 -8.694 10.902) 15.805 1.662 ( 0.444 -17.168 -0.691) 17.187 1.687 ( -5.793 -9.089 -7.024) 12.865 2.235 ( -4.181 -7.949 0.745) 9.012 2.286 ( 5.929 -4.367 5.950) 9.467 2.450 ( -0.877 -8.041 -3.095) 8.661 2.620 ( -7.389 3.770 -8.897) 12.164 2.673 ( -2.314 -3.606 -3.541) 5.558 2.932 ( 5.560 -3.445 3.759) 7.544 3.021 ( 1.297 -5.368 1.096) 5.630 3.133 ( 2.208 -4.194 1.564) 4.991 3.184 ( -0.422 -8.652 -2.959) 9.154 3.316 ( -3.865 -5.918 -2.682) 7.561 3.421 ( 0.410 0.064 -6.077) 6.092 3.558 ( 2.740 0.216 3.442) 4.404 3.596 ( 3.289 0.340 2.898) 4.396 3.730 ( -4.176 0.252 -2.684) 4.970 3.981 ( 2.229 0.890 0.239) 2.412 4.095 ( 2.084 -3.027 1.902) 4.138 4.169 ( 1.228 -0.109 -0.931) 1.545 4.297 ( -1.683 5.196 5.258) 7.581 4.370 ( 4.880 2.356 2.637) 6.027 4.450 ( 1.297 5.236 -0.366) 5.406 4.646 ( -0.446 -2.618 0.582) 2.719 4.723 ( 1.332 -2.811 -1.670) 3.531 4.830 ( 1.570 6.623 -2.622) 7.294 4.854 ( 0.713 2.022 -0.182) 2.152 4.984 ( -4.303 3.219 -2.035) 5.746 5.026 ( 0.569 -0.005 5.976) 6.003 5.081 ( 2.553 1.859 1.946) 3.710 5.202 ( -5.330 2.183 -6.612) 8.769 5.317 ( 2.073 0.064 -5.775) 6.136 5.370 ( -4.155 7.586 -2.546) 9.016 5.502 ( -0.263 1.238 -1.839) 2.232 5.620 ( -3.335 5.382 3.836) 7.403 5.691 ( -1.071 0.347 3.381) 3.564 5.839 ( -5.761 -2.249 -4.755) 7.802 5.963 ( 1.712 1.787 1.357) 2.822 6.036 ( 1.314 1.818 4.258) 4.813 6.098 ( 1.729 1.681 3.893) 4.579 6.130 ( -1.607 -0.040 -2.068) 2.619 6.289 ( -1.663 11.446 -1.703) 11.691 6.523 ( 5.438 3.283 6.344) 8.977 6.595 ( -0.241 2.065 2.190) 3.019 6.735 ( -1.662 2.971 0.345) 3.421 6.814 ( 4.647 -1.687 2.579) 5.576 6.863 ( -2.210 -1.750 -3.028) 4.137 7.039 ( 0.608 0.907 0.421) 1.171 7.367 ( 2.261 2.396 -3.136) 4.548 7.612 ( -6.958 3.483 -0.901) 7.833 7.869 ( 4.377 2.648 5.411) 7.447 7.922 ( -3.837 -1.629 -4.513) 6.144 8.129 ( 5.174 2.250 -2.100) 6.020 8.450 ( -0.815 -2.897 1.977) 3.601 8.643 ( 4.752 -2.572 -0.148) 5.405 9.585 ( -0.314 -3.746 -1.310) 3.981 9.622 ( 3.182 -2.294 1.563) 4.223 9.828 ( -3.850 0.682 -0.520) 3.944 9.929 ( 0.799 1.885 0.461) 2.099 10.126 ( -0.857 1.552 -0.542) 1.854 10.312 ( 1.750 1.277 -1.439) 2.600 11.096 ( -3.077 -3.353 -0.688) 4.603 11.257 ( 4.011 -2.436 1.660) 4.977 12.485 ( -3.275 -1.107 -3.004) 4.579 12.568 ( 1.863 -1.964 2.265) 3.529 13.379 ( -0.422 1.510 0.000) 1.568 13.459 ( 1.659 1.451 -0.248) 2.218 13.625 ( -8.783 1.677 -5.783) 10.649 13.919 ( 3.495 1.340 3.698) 5.262 14.402 ( -1.260 2.296 -2.148) 3.387 14.448 ( -2.746 0.724 -1.596) 3.258 14.533 ( 3.157 1.355 1.539) 3.765 14.607 ( 9.858 1.679 6.678) 12.025 15.256 ( -0.609 -1.511 -1.246) 2.050 15.342 ( 0.002 0.397 -1.551) 1.601 15.648 ( 0.452 0.623 -1.825) 1.981 15.702 ( 2.491 -0.243 0.155) 2.508 16.164 ( -1.061 0.878 -0.443) 1.446 16.267 ( -1.678 1.987 0.987) 2.782 16.426 ( -9.921 2.928 -6.039) 11.978 16.720 ( 7.889 2.488 7.331) 11.053 17.301 ( -8.139 -0.013 -2.786) 8.602 17.443 ( -1.110 1.139 2.318) 2.811 19.035 ( -8.978 0.742 -6.390) 11.045 19.437 ( 10.618 2.785 6.996) 13.017 21.292 ( -2.238 -1.332 -2.145) 3.375 21.377 ( 1.921 -2.098 1.654) 3.291 25.316 ( -6.354 6.549 -3.470) 9.762 25.445 ( 1.413 9.028 4.541) 10.204 27.168 ( -0.709 3.106 3.765) 4.932 27.250 ( -2.570 5.526 -2.551) 6.607 28.436 ( -0.281 -0.194 0.556) 0.652 28.447 ( -0.548 0.763 -0.649) 1.142 29.121 ( 0.126 -0.214 0.146) 0.288 29.134 ( 0.041 -0.396 0.040) 0.400 31.737 ( -0.560 -2.921 2.284) 3.750 31.871 ( 0.464 -5.175 -2.740) 5.874 32.915 ( 1.843 -0.855 -0.186) 2.040 33.105 ( 5.832 -0.749 2.128) 6.253 33.213 ( -6.566 -0.973 0.398) 6.650 33.442 ( 0.522 -0.123 -0.021) 0.537 33.914 ( -3.170 -9.782 -2.526) 10.588 34.113 ( 3.477 -8.085 -3.642) 9.525 34.395 ( -1.289 -11.163 3.521) 11.776 34.617 ( 6.887 -4.467 -4.775) 9.496 35.262 ( 1.196 7.856 4.623) 9.194 35.522 ( 0.681 6.159 -0.078) 6.197 ======================= Grid point 184 (81/117) ======================= q-point: (-0.30 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -14.898 -0.000 7.608) 16.728 1.162 ( -25.015 -0.000 4.734) 25.459 1.304 ( -16.938 -0.000 3.027) 17.207 1.406 ( -24.604 -0.000 -2.825) 24.766 1.796 ( -15.509 -0.000 10.134) 18.527 1.852 ( -2.628 -0.000 -5.674) 6.253 2.120 ( 2.115 0.000 -16.321) 16.457 2.255 ( -0.550 -0.000 6.344) 6.368 2.424 ( 6.281 0.000 -3.263) 7.078 2.550 ( 17.758 0.000 13.142) 22.092 2.893 ( 5.793 0.000 6.937) 9.038 3.009 ( 10.605 0.000 -13.613) 17.257 3.231 ( 9.166 0.000 7.566) 11.885 3.252 ( -1.536 -0.000 7.245) 7.406 3.390 ( 21.170 0.000 8.965) 22.990 3.439 ( 1.968 0.000 -6.975) 7.247 3.533 ( -18.851 -0.000 -19.653) 27.232 3.729 ( 0.215 0.000 -7.613) 7.616 4.043 ( 2.767 0.000 -1.116) 2.984 4.160 ( -0.225 -0.000 -0.694) 0.730 4.204 ( -1.430 -0.000 -0.525) 1.524 4.369 ( -0.562 -0.000 -2.214) 2.284 4.481 ( 0.187 0.000 -0.407) 0.448 4.503 ( -0.333 -0.000 1.876) 1.905 4.616 ( 1.522 0.000 0.188) 1.534 4.653 ( 4.487 0.000 0.796) 4.557 4.849 ( -1.595 -0.000 6.947) 7.128 4.986 ( -3.281 -0.000 -0.500) 3.319 4.987 ( -7.180 -0.000 -4.989) 8.744 5.167 ( 3.962 0.000 8.448) 9.331 5.276 ( -9.636 -0.000 -4.212) 10.517 5.326 ( -1.835 -0.000 -6.611) 6.861 5.427 ( 7.949 0.000 -2.207) 8.250 5.436 ( -5.143 -0.000 -7.574) 9.155 5.561 ( 3.288 0.000 4.760) 5.785 5.582 ( -1.466 -0.000 -3.410) 3.711 5.707 ( -14.275 -0.000 -2.378) 14.471 5.785 ( -7.018 -0.000 8.576) 11.082 6.138 ( -0.098 -0.000 4.398) 4.399 6.142 ( 2.075 0.000 9.273) 9.503 6.276 ( 9.739 0.000 7.622) 12.367 6.312 ( -3.878 -0.000 -8.823) 9.638 6.548 ( 1.101 0.000 -0.866) 1.401 6.641 ( 10.089 0.000 -1.123) 10.151 6.741 ( 6.124 0.000 2.722) 6.701 6.744 ( -4.593 -0.000 -6.156) 7.681 7.020 ( 5.192 0.000 1.659) 5.451 7.050 ( -1.469 -0.000 -0.902) 1.723 7.218 ( -3.905 -0.000 -2.746) 4.774 7.494 ( 17.391 0.000 10.500) 20.315 7.551 ( -4.887 -0.000 6.857) 8.420 7.764 ( -0.744 -0.000 2.586) 2.691 8.000 ( -7.196 -0.000 -7.105) 10.112 8.244 ( 11.278 0.000 4.305) 12.071 8.270 ( -1.712 -0.000 0.754) 1.870 8.344 ( -0.704 -0.000 -3.414) 3.486 9.404 ( -1.434 -0.000 0.110) 1.438 9.534 ( -0.187 -0.000 -0.282) 0.338 9.840 ( -2.772 -0.000 1.746) 3.276 9.963 ( -1.239 -0.000 -1.205) 1.729 10.247 ( -2.713 -0.000 -3.744) 4.624 10.322 ( 2.276 0.000 0.249) 2.290 10.957 ( -2.385 -0.000 -1.016) 2.593 11.104 ( 6.910 0.000 1.243) 7.020 12.456 ( -4.697 -0.000 -4.329) 6.388 12.463 ( 2.406 0.000 3.625) 4.351 13.449 ( 0.902 0.000 0.062) 0.904 13.464 ( -0.355 -0.000 -2.201) 2.229 13.817 ( -8.420 -0.000 -11.755) 14.459 13.860 ( 5.231 0.000 4.297) 6.770 14.435 ( -2.467 -0.000 -1.921) 3.127 14.467 ( 0.119 0.000 -0.341) 0.361 14.685 ( -4.210 -0.000 -9.572) 10.457 14.685 ( 13.092 0.000 8.424) 15.568 15.265 ( -1.856 -0.000 0.633) 1.961 15.358 ( 0.049 0.000 -0.769) 0.770 15.683 ( 3.667 0.000 2.167) 4.260 15.697 ( -0.092 -0.000 -2.846) 2.847 16.235 ( -3.538 -0.000 -0.383) 3.558 16.474 ( 1.042 0.000 -5.480) 5.578 16.621 ( -10.698 -0.000 -6.747) 12.648 16.760 ( 8.746 0.000 8.496) 12.193 17.412 ( -11.347 -0.000 -5.405) 12.568 17.507 ( -0.467 -0.000 7.275) 7.290 19.161 ( -15.046 -0.000 -16.212) 22.118 19.447 ( 15.956 0.000 9.659) 18.651 21.206 ( 0.636 0.000 3.864) 3.916 21.219 ( -4.887 -0.000 -1.546) 5.126 25.823 ( -20.296 -0.000 -24.000) 31.431 25.879 ( 6.536 0.000 14.540) 15.942 27.374 ( -5.784 -0.000 8.169) 10.009 27.576 ( -6.084 -0.000 3.768) 7.156 28.424 ( -0.790 -0.000 2.072) 2.217 28.512 ( -1.930 -0.000 0.390) 1.969 29.097 ( -0.256 -0.000 -0.147) 0.295 29.121 ( -0.349 -0.000 -0.231) 0.418 31.592 ( -0.183 -0.000 0.314) 0.363 31.601 ( -0.138 -0.000 -0.430) 0.452 32.896 ( 0.418 0.000 0.316) 0.524 32.941 ( 2.317 0.000 -3.169) 3.926 33.283 ( 3.360 0.000 -2.310) 4.078 33.290 ( 3.219 0.000 1.383) 3.504 33.554 ( -0.655 -0.000 1.426) 1.569 33.635 ( 0.958 0.000 -0.745) 1.213 33.910 ( 4.653 0.000 -2.306) 5.193 34.301 ( 3.525 0.000 -8.441) 9.148 35.717 ( 13.303 0.000 20.733) 24.634 35.781 ( -4.037 -0.000 -7.281) 8.325 ======================= Grid point 185 (82/117) ======================= q-point: (-0.20 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -22.924 7.099 4.957) 24.504 1.041 ( -6.865 -7.095 6.608) 11.880 1.114 ( -22.418 -10.254 2.822) 24.813 1.639 ( -9.475 -7.193 1.648) 12.009 1.800 ( -10.586 -15.199 8.353) 20.319 1.917 ( -7.306 -11.102 2.852) 13.593 2.080 ( -1.276 -1.308 -12.759) 12.889 2.321 ( 3.636 -3.637 9.001) 10.366 2.601 ( 6.404 -10.428 -11.170) 16.569 2.680 ( 2.820 -5.244 0.923) 6.025 2.939 ( 2.459 0.039 7.138) 7.550 3.097 ( 4.393 0.256 -11.321) 12.146 3.186 ( 11.016 2.164 7.647) 13.584 3.264 ( -5.923 7.102 -8.434) 12.516 3.321 ( 7.078 1.259 6.368) 9.604 3.475 ( -0.310 -1.338 -3.813) 4.053 3.582 ( 10.162 -3.164 -0.309) 10.648 3.764 ( -1.748 -2.388 -7.401) 7.970 3.989 ( 0.566 2.361 0.364) 2.455 4.100 ( 1.362 4.844 -1.769) 5.333 4.233 ( 2.428 -0.197 -0.052) 2.437 4.407 ( 0.325 -2.440 -0.057) 2.463 4.444 ( -0.031 2.987 0.438) 3.019 4.515 ( 0.705 -1.396 1.045) 1.881 4.602 ( 1.256 4.420 0.741) 4.654 4.668 ( 2.315 -3.033 -0.495) 3.847 4.862 ( -1.877 -1.157 5.134) 5.588 4.938 ( -1.619 0.394 -1.433) 2.198 4.976 ( -10.355 -2.155 -5.660) 11.996 5.153 ( -3.682 3.776 1.943) 5.621 5.204 ( -5.384 -0.030 1.214) 5.520 5.304 ( -2.711 1.156 -5.768) 6.478 5.351 ( -0.819 6.366 2.221) 6.792 5.482 ( -2.811 -2.276 -8.955) 9.658 5.543 ( 4.073 0.734 2.127) 4.653 5.613 ( 2.205 -2.934 -1.674) 4.034 5.675 ( -8.655 -1.152 2.280) 9.024 5.813 ( -3.977 -4.468 2.526) 6.493 6.093 ( -1.023 3.494 2.714) 4.541 6.134 ( 0.705 1.845 7.216) 7.481 6.208 ( 1.992 8.333 -1.840) 8.763 6.277 ( 3.236 3.977 1.578) 5.365 6.604 ( 3.283 -2.105 2.090) 4.425 6.626 ( -1.101 6.128 -3.217) 7.008 6.723 ( 3.781 0.152 -2.009) 4.285 6.768 ( 7.891 1.269 4.090) 8.978 6.889 ( -1.132 7.022 -2.985) 7.713 7.111 ( 1.610 1.648 2.426) 3.345 7.157 ( -1.671 10.159 4.879) 11.393 7.327 ( -3.950 1.185 -0.729) 4.188 7.738 ( -1.951 -0.962 -1.631) 2.719 7.807 ( 10.043 -4.684 5.824) 12.518 7.934 ( -3.882 1.012 -4.951) 6.372 8.259 ( 6.581 4.293 2.002) 8.109 8.269 ( -1.655 -2.410 -1.427) 3.253 8.452 ( 7.101 -7.940 3.062) 11.084 9.428 ( 0.126 -3.203 0.635) 3.268 9.547 ( -1.001 -1.470 -1.176) 2.133 9.831 ( -2.539 -0.546 1.780) 3.148 9.965 ( -0.503 -0.517 -1.401) 1.576 10.207 ( -2.020 2.073 -2.719) 3.972 10.340 ( 2.216 -0.114 -0.325) 2.242 10.969 ( -2.093 -2.454 -0.302) 3.239 11.161 ( 5.378 -1.706 0.464) 5.662 12.437 ( -3.972 -0.964 -3.701) 5.513 12.491 ( 1.633 -1.454 2.937) 3.662 13.435 ( -0.237 1.155 -1.113) 1.621 13.480 ( 1.501 -0.772 -0.650) 1.808 13.720 ( -10.170 2.611 -10.506) 14.853 13.912 ( 2.661 -1.816 1.372) 3.502 14.421 ( -2.163 -0.237 -1.228) 2.498 14.465 ( -0.062 0.262 -0.620) 0.676 14.636 ( -0.938 2.602 -4.410) 5.205 14.741 ( 13.587 3.281 8.389) 16.301 15.237 ( -2.101 1.111 0.470) 2.423 15.359 ( 0.241 0.066 -1.294) 1.318 15.686 ( 0.324 1.025 -2.315) 2.552 15.704 ( 3.413 0.201 1.780) 3.854 16.207 ( -2.045 0.924 0.407) 2.281 16.409 ( -2.373 5.239 -3.338) 6.650 16.536 ( -10.383 1.938 -6.577) 12.443 16.804 ( 8.468 1.362 8.807) 12.293 17.319 ( -13.037 0.876 -5.630) 14.227 17.491 ( -2.196 1.023 5.734) 6.225 19.061 ( -11.566 0.612 -10.224) 15.449 19.531 ( 13.885 1.509 8.878) 16.550 21.215 ( -2.826 -2.014 -1.514) 3.786 21.253 ( 0.093 -4.029 2.194) 4.588 25.612 ( -17.369 6.947 -15.053) 24.011 25.838 ( 3.557 7.992 12.938) 15.618 27.308 ( -4.342 3.158 6.481) 8.416 27.484 ( -6.755 4.851 1.202) 8.403 28.422 ( -0.675 -0.322 1.520) 1.694 28.488 ( -1.708 1.018 -0.262) 2.005 29.102 ( -0.057 -0.590 -0.412) 0.722 29.119 ( -0.405 -0.158 0.214) 0.484 31.620 ( 0.003 -2.423 0.175) 2.429 31.649 ( 0.365 -4.974 -0.925) 5.072 32.890 ( 1.191 0.116 -0.320) 1.239 32.998 ( 1.752 -3.698 -0.485) 4.121 33.237 ( -1.182 2.786 4.092) 5.090 33.377 ( 4.847 -3.218 -2.255) 6.240 33.577 ( -0.974 -4.707 0.028) 4.806 33.772 ( 1.315 -9.422 -4.283) 10.433 34.008 ( 5.608 -6.435 -1.226) 8.624 34.377 ( 5.451 -5.770 -7.911) 11.207 35.639 ( 2.493 10.155 6.103) 12.107 35.768 ( 4.207 4.568 4.506) 7.673 ======================= Grid point 186 (83/117) ======================= q-point: (-0.10 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -3.731 -9.097 0.037) 9.833 1.275 ( -6.504 -15.394 13.001) 21.173 1.313 ( -0.219 -19.070 8.235) 20.773 1.588 ( -8.242 0.343 -0.643) 8.274 2.013 ( -6.003 -8.828 -5.251) 11.897 2.166 ( -3.658 -16.072 7.330) 18.040 2.271 ( 8.542 -11.642 -0.829) 14.463 2.460 ( -6.577 -10.828 0.658) 12.686 2.674 ( -10.945 0.479 -1.777) 11.099 2.803 ( -7.953 -7.859 -15.783) 19.342 2.968 ( 3.962 -2.163 3.279) 5.579 3.011 ( 6.916 5.059 0.248) 8.573 3.132 ( 2.287 -1.852 -1.006) 3.111 3.356 ( 11.684 2.322 3.217) 12.339 3.383 ( -0.602 -6.522 1.014) 6.628 3.484 ( 2.683 -1.959 -5.741) 6.633 3.644 ( 4.909 0.998 0.610) 5.047 3.754 ( -4.025 1.907 -6.034) 7.500 3.999 ( -1.572 -2.602 4.625) 5.535 4.099 ( 8.000 2.269 0.474) 8.329 4.143 ( -1.197 2.977 -3.582) 4.809 4.396 ( 0.783 3.448 2.324) 4.231 4.431 ( 1.367 1.549 0.479) 2.121 4.553 ( 2.449 0.937 1.907) 3.243 4.595 ( 2.850 -2.401 2.297) 4.378 4.709 ( 0.990 -0.309 -2.198) 2.430 4.852 ( -4.437 -0.425 0.966) 4.560 4.918 ( 1.852 1.703 -2.045) 3.242 4.964 ( -5.975 -1.123 -3.448) 6.989 5.055 ( -5.334 1.797 0.611) 5.662 5.169 ( 1.924 3.057 1.441) 3.889 5.226 ( -3.394 3.644 -1.912) 5.335 5.264 ( -4.918 0.892 -1.812) 5.316 5.509 ( 3.001 -0.548 -0.884) 3.176 5.514 ( 1.576 4.264 -6.434) 7.878 5.646 ( -6.390 -0.269 7.941) 10.196 5.673 ( -1.884 -1.863 -2.598) 3.710 5.803 ( -4.082 2.747 -2.934) 5.729 6.035 ( -0.185 1.007 -1.845) 2.110 6.070 ( 2.283 5.935 3.097) 7.073 6.127 ( -0.479 -0.343 2.877) 2.937 6.188 ( 1.414 6.674 4.694) 8.281 6.468 ( -3.355 8.165 -2.683) 9.226 6.596 ( 1.811 4.242 5.933) 7.515 6.717 ( 7.372 4.186 3.593) 9.208 6.796 ( -1.067 0.826 -2.039) 2.445 6.828 ( 4.566 2.986 4.152) 6.856 6.858 ( -6.051 5.660 0.182) 8.287 7.087 ( 1.392 3.076 0.603) 3.430 7.376 ( -0.370 -2.887 -2.989) 4.172 7.662 ( -3.510 5.078 2.056) 6.506 7.880 ( -0.374 -0.396 -5.191) 5.219 7.929 ( 2.240 0.670 1.844) 2.978 8.207 ( 4.448 3.372 -3.154) 6.411 8.352 ( -1.047 -5.979 -0.343) 6.080 8.634 ( 9.167 -3.534 2.636) 10.172 9.509 ( 0.378 -4.063 -0.895) 4.178 9.584 ( 1.165 -3.189 0.563) 3.442 9.818 ( -3.012 0.397 1.242) 3.282 9.961 ( 0.041 0.908 -1.124) 1.445 10.160 ( 0.059 2.022 -0.742) 2.154 10.344 ( 1.687 0.945 -1.315) 2.338 11.014 ( -1.938 -3.384 0.467) 3.927 11.230 ( 3.041 -2.543 0.017) 3.964 12.440 ( -2.563 -1.506 -2.654) 3.985 12.536 ( 0.868 -2.170 1.971) 3.058 13.408 ( -0.130 1.554 -0.657) 1.692 13.496 ( 2.880 0.736 0.202) 2.979 13.607 ( -8.692 2.244 -6.328) 10.983 13.944 ( 0.489 -0.196 1.524) 1.612 14.418 ( -0.505 -0.146 0.169) 0.553 14.451 ( -0.361 1.120 -0.925) 1.497 14.588 ( 1.755 2.472 -0.621) 3.094 14.742 ( 11.062 4.685 7.046) 13.927 15.223 ( -1.040 -1.022 -0.969) 1.750 15.352 ( -0.061 0.685 -1.897) 2.018 15.669 ( 1.153 0.977 -1.645) 2.234 15.720 ( 2.788 0.215 0.902) 2.939 16.184 ( 1.074 1.004 1.479) 2.085 16.298 ( -4.520 3.282 0.071) 5.586 16.418 ( -10.189 3.060 -6.014) 12.221 16.814 ( 5.574 2.529 6.280) 8.769 17.239 ( -9.674 -0.441 -3.099) 10.168 17.453 ( -2.820 1.147 3.345) 4.523 18.997 ( -5.697 0.342 -3.673) 6.787 19.561 ( 9.240 3.250 6.345) 11.670 21.243 ( -1.968 -2.280 -2.694) 4.041 21.335 ( 1.068 -3.477 1.592) 3.970 25.394 ( -8.836 6.323 -4.950) 11.940 25.655 ( 0.117 11.543 8.012) 14.051 27.224 ( -2.452 3.380 4.458) 6.108 27.341 ( -4.291 5.805 -2.066) 7.508 28.427 ( -0.524 -0.463 0.871) 1.117 28.460 ( -0.900 0.942 -0.669) 1.465 29.114 ( 0.106 -0.558 -0.217) 0.608 29.125 ( -0.178 -0.528 0.365) 0.666 31.675 ( -0.313 -3.162 1.213) 3.401 31.766 ( 1.201 -6.082 -2.755) 6.784 32.910 ( 2.115 -0.963 -0.040) 2.324 33.087 ( 1.726 -4.247 1.183) 4.734 33.179 ( -3.764 1.691 4.623) 6.196 33.443 ( 2.995 -0.778 -2.438) 3.939 33.709 ( -1.569 -9.210 -1.081) 9.405 33.953 ( 0.212 -9.313 -6.347) 11.272 34.199 ( 3.802 -9.665 4.098) 11.165 34.554 ( 7.971 -6.956 -7.860) 13.180 35.444 ( 1.010 10.345 4.961) 11.517 35.657 ( 0.058 7.493 1.385) 7.620 ======================= Grid point 195 (84/117) ======================= q-point: (-0.20 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -38.444 -0.000 -7.998) 39.267 0.848 ( -15.347 -0.000 17.423) 23.218 1.132 ( -9.468 -0.000 -0.443) 9.478 1.203 ( -12.522 -0.000 22.459) 25.714 1.620 ( -13.429 -0.000 12.999) 18.689 1.741 ( -14.607 -0.000 -2.235) 14.777 2.138 ( 2.492 0.000 -16.443) 16.631 2.320 ( 8.400 0.000 -8.909) 12.245 2.497 ( 5.037 0.000 -3.792) 6.305 2.694 ( 4.267 0.000 8.568) 9.571 2.959 ( 2.754 0.000 8.522) 8.956 3.082 ( 4.851 0.000 -15.817) 16.544 3.284 ( -15.969 -0.000 -11.865) 19.895 3.370 ( 15.476 0.000 10.784) 18.862 3.372 ( 12.304 0.000 5.752) 13.582 3.417 ( -3.039 -0.000 -2.125) 3.709 3.656 ( 16.758 0.000 0.787) 16.776 3.731 ( 0.323 0.000 -7.696) 7.703 4.061 ( 0.408 0.000 -4.196) 4.216 4.131 ( -2.624 -0.000 -3.870) 4.675 4.199 ( 0.411 0.000 0.210) 0.462 4.363 ( -0.410 -0.000 -0.593) 0.721 4.480 ( -0.368 -0.000 -0.374) 0.525 4.494 ( -1.307 -0.000 1.220) 1.788 4.647 ( 3.681 0.000 2.129) 4.252 4.699 ( 2.687 0.000 0.647) 2.764 4.835 ( -1.411 -0.000 7.172) 7.310 4.868 ( -10.095 -0.000 -5.071) 11.297 4.909 ( -8.204 -0.000 -0.376) 8.213 5.147 ( -9.252 -0.000 -6.272) 11.177 5.184 ( -2.049 -0.000 0.775) 2.191 5.296 ( -2.329 -0.000 -6.484) 6.890 5.391 ( -6.490 -0.000 -9.180) 11.242 5.452 ( -9.523 -0.000 12.090) 15.390 5.516 ( 5.693 0.000 -6.490) 8.633 5.586 ( 0.255 0.000 6.328) 6.333 5.693 ( 7.401 0.000 -5.315) 9.111 5.735 ( -2.024 -0.000 8.407) 8.647 6.128 ( -1.853 -0.000 1.535) 2.406 6.142 ( -2.838 -0.000 7.549) 8.065 6.294 ( 2.431 0.000 -5.163) 5.707 6.425 ( 13.049 0.000 8.087) 15.352 6.552 ( -0.583 -0.000 2.002) 2.085 6.689 ( -3.444 -0.000 -3.528) 4.930 6.751 ( 7.113 0.000 -0.797) 7.158 6.822 ( 6.445 0.000 2.251) 6.826 7.025 ( -2.461 -0.000 -2.675) 3.635 7.079 ( 3.734 0.000 -0.609) 3.783 7.174 ( -2.781 -0.000 -2.327) 3.626 7.491 ( -4.899 -0.000 5.511) 7.373 7.666 ( 2.712 0.000 -7.229) 7.721 7.775 ( -1.708 -0.000 -1.055) 2.008 7.960 ( 10.002 0.000 9.111) 13.530 8.252 ( -0.687 -0.000 2.920) 3.000 8.335 ( -0.133 -0.000 -3.080) 3.083 8.378 ( 9.226 0.000 2.687) 9.609 9.391 ( -0.531 -0.000 0.487) 0.720 9.518 ( -2.242 -0.000 -0.742) 2.362 9.813 ( -1.682 -0.000 2.370) 2.906 9.949 ( -0.901 -0.000 -1.222) 1.519 10.217 ( -1.449 -0.000 -3.114) 3.435 10.347 ( 1.531 0.000 -0.075) 1.533 10.934 ( -1.286 -0.000 0.702) 1.465 11.176 ( 3.886 0.000 -1.366) 4.120 12.403 ( -3.006 -0.000 -3.074) 4.300 12.485 ( 0.675 0.000 2.406) 2.499 13.453 ( -1.282 -0.000 -3.491) 3.719 13.461 ( 0.994 0.000 0.042) 0.995 13.670 ( -12.347 -0.000 -11.490) 16.866 13.901 ( 1.421 0.000 1.740) 2.246 14.408 ( -0.570 -0.000 0.633) 0.852 14.469 ( 0.355 0.000 -0.216) 0.416 14.654 ( -0.250 -0.000 -3.571) 3.580 14.864 ( 13.091 0.000 7.967) 15.324 15.245 ( -1.402 -0.000 1.215) 1.856 15.355 ( -0.360 -0.000 -0.913) 0.982 15.701 ( 0.995 0.000 -1.943) 2.183 15.726 ( 2.804 0.000 1.813) 3.339 16.210 ( -0.261 -0.000 1.856) 1.875 16.461 ( -3.542 -0.000 -8.791) 9.478 16.488 ( -9.739 -0.000 -5.489) 11.180 16.874 ( 7.745 0.000 8.862) 11.770 17.238 ( -14.296 -0.000 -6.284) 15.616 17.485 ( -3.640 -0.000 6.263) 7.243 19.003 ( -7.136 -0.000 -5.574) 9.055 19.631 ( 11.683 0.000 8.197) 14.272 21.154 ( -5.092 -0.000 -1.250) 5.243 21.212 ( -0.235 -0.000 2.792) 2.802 25.560 ( -17.782 -0.000 -14.664) 23.048 25.943 ( 1.584 0.000 15.237) 15.319 27.311 ( -5.128 -0.000 5.782) 7.728 27.481 ( -8.874 -0.000 2.192) 9.141 28.415 ( -0.797 -0.000 1.494) 1.694 28.485 ( -2.085 -0.000 -0.222) 2.097 29.096 ( 0.142 0.000 -0.372) 0.398 29.115 ( -0.666 -0.000 -0.221) 0.702 31.589 ( -0.289 -0.000 0.378) 0.476 31.600 ( -0.018 -0.000 -0.449) 0.449 32.895 ( -0.574 -0.000 1.651) 1.748 32.965 ( 1.876 0.000 -2.683) 3.274 33.330 ( 3.998 0.000 -1.556) 4.290 33.336 ( 4.133 0.000 1.466) 4.386 33.543 ( -1.285 -0.000 1.746) 2.168 33.643 ( 0.307 0.000 -1.352) 1.386 33.996 ( 8.986 0.000 -4.221) 9.928 34.328 ( 1.247 0.000 -7.473) 7.576 35.737 ( -1.928 -0.000 -7.134) 7.390 35.905 ( 13.566 0.000 14.429) 19.805 ======================= Grid point 196 (85/117) ======================= q-point: (-0.10 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( -14.429 -8.697 1.156) 16.887 0.931 ( -6.406 -14.832 22.740) 27.895 1.076 ( 7.433 -8.053 11.020) 15.542 1.501 ( -13.122 -7.514 -0.614) 15.134 1.610 ( -18.270 -22.988 17.390) 34.127 1.814 ( -9.601 -14.931 5.301) 18.526 2.063 ( 1.260 2.427 -13.456) 13.731 2.441 ( 10.574 -2.648 -5.700) 12.300 2.579 ( -8.042 -5.846 -13.780) 16.992 2.684 ( -1.516 1.652 -2.303) 3.214 2.958 ( 0.215 0.423 3.641) 3.671 3.113 ( -4.775 1.014 -11.206) 12.223 3.161 ( 0.244 1.016 6.101) 6.190 3.333 ( 7.594 2.864 -0.179) 8.119 3.450 ( 9.127 -0.088 3.785) 9.882 3.500 ( 7.367 0.530 0.644) 7.414 3.702 ( -8.021 -1.943 -12.065) 14.618 3.748 ( 14.303 2.984 1.240) 14.664 3.993 ( 0.182 2.920 0.967) 3.081 4.125 ( 3.650 -0.711 -1.548) 4.028 4.260 ( 0.496 1.933 -1.088) 2.273 4.402 ( -1.107 -3.166 0.353) 3.372 4.446 ( 0.425 1.636 -0.259) 1.710 4.545 ( 4.390 -4.992 0.950) 6.716 4.606 ( -0.698 5.156 -0.098) 5.204 4.701 ( 2.431 -1.667 0.384) 2.973 4.809 ( -6.348 -0.034 2.748) 6.917 4.867 ( -5.721 -4.667 -3.345) 8.106 4.918 ( -2.103 -2.516 1.537) 3.622 5.038 ( -8.641 3.318 -5.080) 10.559 5.165 ( -4.518 0.708 0.755) 4.635 5.270 ( -1.407 1.345 -5.586) 5.915 5.336 ( -6.212 2.822 4.493) 8.169 5.433 ( 0.033 -3.623 -4.007) 5.402 5.572 ( -3.230 -1.799 -0.776) 3.778 5.593 ( 1.997 0.029 3.953) 4.429 5.671 ( 2.058 2.706 0.902) 3.517 5.798 ( 1.967 -2.203 -1.314) 3.232 6.073 ( -1.848 3.828 0.207) 4.256 6.109 ( -4.286 0.374 3.369) 5.464 6.262 ( 6.181 7.816 0.761) 9.994 6.344 ( 5.607 7.460 7.704) 12.102 6.581 ( -3.286 6.015 -0.699) 6.889 6.646 ( 2.776 -1.088 2.133) 3.666 6.787 ( 4.629 0.061 0.257) 4.636 6.856 ( 4.142 3.400 2.762) 6.028 6.886 ( 1.914 3.757 -2.853) 5.091 7.052 ( -10.816 15.621 4.839) 19.606 7.147 ( -1.726 2.365 -0.738) 3.020 7.275 ( -2.958 -3.697 -0.882) 4.816 7.707 ( -2.539 -0.010 -2.214) 3.368 7.875 ( -2.924 -7.403 -8.950) 11.977 7.961 ( 10.004 7.429 2.671) 12.744 8.231 ( -2.666 -3.274 1.826) 4.600 8.327 ( 3.290 4.446 -1.372) 5.698 8.595 ( 12.876 -9.056 0.516) 15.750 9.435 ( 0.832 -3.987 0.075) 4.074 9.523 ( -2.227 -2.351 -0.486) 3.274 9.807 ( -1.507 -0.093 2.428) 2.859 9.960 ( -0.215 -0.853 -2.083) 2.261 10.197 ( 0.889 1.399 -0.987) 1.929 10.362 ( 1.301 -0.234 -1.259) 1.826 10.951 ( -0.736 -2.200 1.642) 2.842 11.204 ( 1.212 -1.442 -2.009) 2.754 12.400 ( -1.377 -1.123 -1.955) 2.641 12.502 ( -0.210 -1.518 1.455) 2.113 13.434 ( 0.590 0.973 -1.008) 1.520 13.507 ( 2.872 -2.138 -1.453) 3.864 13.589 ( -7.003 1.276 -3.351) 7.868 13.925 ( -0.468 -1.394 0.326) 1.506 14.416 ( 2.206 -0.110 2.804) 3.570 14.469 ( 0.666 0.422 -0.003) 0.789 14.641 ( 2.080 1.780 -0.831) 2.861 14.898 ( 9.268 3.991 6.018) 11.749 15.215 ( -1.308 1.114 0.812) 1.900 15.359 ( -0.065 -0.073 -1.762) 1.764 15.697 ( 1.782 0.951 -1.079) 2.290 15.741 ( 2.380 0.159 1.450) 2.791 16.209 ( 1.598 0.420 2.609) 3.088 16.339 ( -8.921 5.323 -3.451) 10.946 16.412 ( -8.112 2.377 -5.267) 9.960 16.884 ( 0.862 2.111 3.276) 3.991 17.174 ( -5.321 -0.534 0.418) 5.364 17.452 ( -4.283 0.830 4.550) 6.303 18.983 ( 1.108 0.203 2.191) 2.463 19.670 ( 6.602 2.439 5.724) 9.071 21.179 ( -1.677 -3.344 -3.237) 4.947 21.257 ( -0.467 -4.571 1.528) 4.842 25.434 ( -7.252 3.424 -3.114) 8.603 25.857 ( -2.489 8.796 11.592) 14.763 27.260 ( -4.024 2.114 4.472) 6.376 27.398 ( -6.279 3.166 -0.911) 7.091 28.415 ( -0.687 -0.421 1.111) 1.373 28.468 ( -1.300 0.552 -0.660) 1.559 29.103 ( 0.250 -0.560 -0.392) 0.728 29.113 ( -0.657 -0.381 0.324) 0.826 31.621 ( 0.060 -2.211 0.100) 2.214 31.658 ( 1.299 -5.815 -2.158) 6.337 32.901 ( 0.414 -0.959 1.198) 1.590 33.011 ( 0.575 -3.411 -1.400) 3.731 33.222 ( -2.214 5.113 8.104) 9.835 33.445 ( 6.331 -2.307 -4.034) 7.853 33.567 ( -0.587 -4.431 -0.026) 4.470 33.769 ( -1.063 -9.063 -4.861) 10.340 34.096 ( 7.767 -4.643 -0.502) 9.063 34.436 ( 4.542 -9.208 -9.509) 13.994 35.649 ( 0.709 8.481 -2.534) 8.879 35.826 ( 0.743 10.968 7.393) 13.248 ======================= Grid point 206 (86/117) ======================= q-point: (-0.10 -0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 5.048 0.000 22.535) 23.094 0.689 ( -11.143 -0.000 25.153) 27.511 1.076 ( -0.176 -0.000 0.951) 0.967 1.098 ( -6.089 -0.000 33.133) 33.688 1.486 ( -9.100 -0.000 15.304) 17.806 1.502 ( -23.240 -0.000 -0.894) 23.258 2.160 ( 2.719 0.000 -15.865) 16.096 2.354 ( -5.878 -0.000 -22.306) 23.067 2.532 ( 2.538 0.000 -13.518) 13.754 2.696 ( -2.996 -0.000 3.578) 4.667 2.962 ( -2.295 -0.000 1.694) 2.852 3.076 ( -6.063 -0.000 -7.069) 9.313 3.217 ( 9.196 0.000 6.883) 11.487 3.367 ( -4.193 -0.000 -4.554) 6.190 3.513 ( 6.508 0.000 -3.973) 7.625 3.593 ( -14.338 -0.000 -9.397) 17.143 3.612 ( 19.721 0.000 10.134) 22.173 3.885 ( 15.290 0.000 -1.186) 15.336 4.062 ( 1.237 0.000 -1.926) 2.289 4.139 ( 3.723 0.000 -1.509) 4.017 4.213 ( 1.978 0.000 0.658) 2.084 4.348 ( -2.268 -0.000 1.715) 2.843 4.473 ( -0.491 -0.000 -0.537) 0.727 4.479 ( -0.526 -0.000 0.398) 0.660 4.699 ( 2.969 0.000 1.678) 3.410 4.709 ( -2.170 -0.000 1.382) 2.573 4.733 ( -10.978 -0.000 -5.244) 12.166 4.801 ( -8.228 -0.000 1.972) 8.461 4.839 ( 1.342 0.000 9.576) 9.669 5.049 ( -5.574 -0.000 -8.920) 10.519 5.126 ( -5.612 -0.000 -7.338) 9.238 5.229 ( -12.700 -0.000 6.720) 14.369 5.273 ( 0.021 0.000 -6.844) 6.844 5.470 ( 5.571 0.000 6.047) 8.223 5.540 ( -0.788 -0.000 -2.140) 2.280 5.603 ( 2.066 0.000 0.701) 2.182 5.728 ( -0.523 -0.000 5.847) 5.870 5.804 ( 9.679 0.000 -4.432) 10.645 6.081 ( -7.575 -0.000 5.008) 9.081 6.106 ( -1.317 -0.000 -0.072) 1.319 6.366 ( 9.081 0.000 0.118) 9.081 6.537 ( -1.950 -0.000 5.422) 5.762 6.596 ( 12.494 0.000 4.001) 13.118 6.657 ( -1.479 -0.000 -1.016) 1.794 6.811 ( 2.159 0.000 -0.042) 2.160 6.901 ( 5.676 0.000 2.078) 6.044 6.986 ( -3.135 -0.000 -3.973) 5.061 7.099 ( -0.643 -0.000 -3.018) 3.086 7.154 ( -0.089 -0.000 -1.146) 1.149 7.443 ( -3.082 -0.000 4.105) 5.134 7.497 ( -30.460 -0.000 -20.317) 36.614 7.703 ( -2.781 -0.000 -7.653) 8.142 8.154 ( 5.512 0.000 8.197) 9.877 8.314 ( 12.352 0.000 3.102) 12.735 8.335 ( 0.353 0.000 -2.575) 2.599 8.467 ( 4.170 0.000 0.687) 4.227 9.391 ( -0.080 -0.000 0.589) 0.594 9.483 ( -2.834 -0.000 -1.319) 3.126 9.800 ( -0.651 -0.000 2.707) 2.784 9.940 ( -0.385 -0.000 -1.378) 1.431 10.220 ( 2.442 0.000 -0.130) 2.446 10.357 ( -0.005 -0.000 -0.876) 0.876 10.928 ( 0.303 0.000 2.733) 2.750 11.189 ( -1.116 -0.000 -3.451) 3.627 12.384 ( 0.273 0.000 -0.948) 0.986 12.482 ( -1.335 -0.000 0.687) 1.502 13.457 ( 4.478 0.000 1.127) 4.618 13.472 ( 0.741 0.000 -0.004) 0.741 13.589 ( 4.450 0.000 5.582) 7.139 13.906 ( -0.638 -0.000 0.354) 0.730 14.449 ( 7.029 0.000 4.197) 8.186 14.475 ( 0.633 0.000 0.148) 0.650 14.692 ( 9.524 0.000 2.988) 9.981 14.986 ( 4.496 0.000 4.260) 6.194 15.235 ( -0.306 -0.000 1.989) 2.012 15.350 ( -0.349 -0.000 -1.071) 1.126 15.720 ( 2.219 0.000 -0.449) 2.264 15.754 ( 1.707 0.000 1.805) 2.485 16.215 ( -1.268 -0.000 1.071) 1.660 16.335 ( -16.241 -0.000 -9.586) 18.859 16.397 ( -2.168 -0.000 -1.280) 2.518 16.882 ( -7.846 -0.000 -3.493) 8.589 17.203 ( 14.061 0.000 9.235) 16.822 17.432 ( -5.020 -0.000 4.565) 6.785 19.051 ( 18.815 0.000 12.035) 22.335 19.725 ( 1.779 0.000 4.217) 4.577 21.104 ( -2.284 -0.000 -0.491) 2.336 21.199 ( -2.223 -0.000 0.679) 2.324 25.471 ( 12.074 0.000 7.679) 14.309 25.924 ( -6.468 -0.000 11.725) 13.391 27.254 ( -4.370 -0.000 3.849) 5.823 27.381 ( -6.273 -0.000 -0.309) 6.281 28.406 ( -0.695 -0.000 1.101) 1.301 28.464 ( -1.144 -0.000 -0.759) 1.373 29.100 ( 0.488 0.000 -0.347) 0.599 29.104 ( -1.084 -0.000 -0.039) 1.085 31.586 ( -0.311 -0.000 0.384) 0.495 31.600 ( 0.118 0.000 -0.420) 0.436 32.886 ( -0.987 -0.000 2.169) 2.383 32.984 ( 1.325 0.000 -2.285) 2.641 33.373 ( 2.755 0.000 -0.545) 2.808 33.395 ( 4.955 0.000 0.306) 4.965 33.526 ( -1.396 -0.000 1.882) 2.343 33.640 ( -0.583 -0.000 -2.095) 2.175 34.112 ( 9.006 0.000 -3.450) 9.644 34.300 ( -6.614 -0.000 -6.629) 9.364 35.731 ( 1.918 0.000 -5.243) 5.583 35.994 ( -5.571 -0.000 -3.334) 6.493 ======================= Grid point 207 (87/117) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -6.780 -0.000 2.147) 7.112 0.911 ( 6.780 0.000 -2.147) 7.112 1.409 ( 10.217 0.000 -6.983) 12.375 1.409 ( -10.217 -0.000 6.983) 12.375 1.648 ( -13.987 -0.000 -4.978) 14.846 1.648 ( 13.987 0.000 4.978) 14.846 2.027 ( -9.872 -0.000 -5.010) 11.070 2.027 ( 9.872 0.000 5.010) 11.070 2.311 ( -17.797 -0.000 -28.755) 33.817 2.311 ( 17.797 0.000 28.755) 33.817 2.937 ( -5.843 -0.000 -2.018) 6.182 2.937 ( 5.843 0.000 2.018) 6.182 3.172 ( -4.489 -0.000 -8.074) 9.238 3.172 ( 4.489 0.000 8.074) 9.238 3.555 ( -9.408 -0.000 -3.375) 9.995 3.555 ( 9.408 0.000 3.375) 9.995 4.044 ( -8.579 -0.000 -6.176) 10.570 4.044 ( 8.579 0.000 6.176) 10.570 4.085 ( -3.566 -0.000 0.053) 3.567 4.085 ( 3.566 0.000 -0.053) 3.567 4.331 ( -11.186 -0.000 -4.162) 11.935 4.331 ( 11.186 0.000 4.162) 11.935 4.421 ( -1.302 -0.000 -0.234) 1.323 4.421 ( 1.302 0.000 0.234) 1.323 4.598 ( -5.395 -0.000 -4.637) 7.113 4.598 ( 5.395 0.000 4.637) 7.113 4.749 ( -0.794 -0.000 -2.385) 2.513 4.749 ( 0.794 0.000 2.385) 2.513 4.927 ( 4.339 0.000 -5.415) 6.939 4.927 ( -4.339 -0.000 5.415) 6.939 5.102 ( 1.314 0.000 -8.785) 8.883 5.102 ( -1.314 -0.000 8.785) 8.883 5.357 ( 5.738 0.000 -13.384) 14.562 5.357 ( -5.738 -0.000 13.384) 14.562 5.615 ( -4.928 -0.000 0.962) 5.021 5.615 ( 4.928 0.000 -0.962) 5.021 5.836 ( 4.817 0.000 -4.230) 6.410 5.836 ( -4.817 -0.000 4.230) 6.410 6.067 ( 7.729 0.000 -4.264) 8.827 6.067 ( -7.729 -0.000 4.264) 8.827 6.596 ( -3.456 -0.000 -5.575) 6.560 6.596 ( 3.456 0.000 5.575) 6.560 6.704 ( -5.097 -0.000 -4.052) 6.511 6.704 ( 5.097 0.000 4.052) 6.511 6.776 ( -17.069 -0.000 -8.817) 19.212 6.776 ( 17.069 0.000 8.817) 19.212 7.007 ( -1.934 -0.000 -1.390) 2.382 7.007 ( 1.934 0.000 1.390) 2.382 7.080 ( -4.079 -0.000 -3.975) 5.695 7.080 ( 4.079 0.000 3.975) 5.695 7.525 ( 0.217 0.000 -5.707) 5.711 7.525 ( -0.217 -0.000 5.707) 5.711 8.273 ( 1.408 0.000 -3.935) 4.179 8.273 ( -1.408 -0.000 3.935) 4.179 8.437 ( -4.309 -0.000 -2.095) 4.791 8.437 ( 4.309 0.000 2.095) 4.791 9.412 ( -1.112 -0.000 -1.764) 2.086 9.412 ( 1.112 0.000 1.764) 2.086 9.881 ( -0.568 -0.000 -3.290) 3.339 9.881 ( 0.568 0.000 3.290) 3.339 10.297 ( -2.934 -0.000 -2.123) 3.622 10.297 ( 2.934 0.000 2.123) 3.622 11.061 ( -2.887 -0.000 -5.555) 6.261 11.061 ( 2.887 0.000 5.555) 6.261 12.429 ( -4.295 -0.000 -1.174) 4.453 12.429 ( 4.295 0.000 1.174) 4.453 13.480 ( 0.105 0.000 -0.224) 0.248 13.480 ( -0.105 -0.000 0.224) 0.248 13.852 ( -6.434 -0.000 -2.110) 6.771 13.852 ( 6.434 0.000 2.110) 6.771 14.497 ( -0.464 -0.000 -0.719) 0.856 14.497 ( 0.464 0.000 0.719) 0.856 14.967 ( -15.650 -0.000 0.986) 15.681 14.967 ( 15.650 0.000 -0.986) 15.681 15.302 ( -0.845 -0.000 -2.549) 2.686 15.302 ( 0.845 0.000 2.549) 2.686 15.788 ( -3.578 -0.000 -0.491) 3.611 15.788 ( 3.578 0.000 0.491) 3.611 16.137 ( -2.443 -0.000 0.710) 2.544 16.137 ( 2.443 0.000 -0.710) 2.544 16.603 ( -10.023 -0.000 -8.253) 12.984 16.603 ( 10.023 0.000 8.253) 12.984 17.433 ( -10.199 -0.000 2.791) 10.574 17.433 ( 10.199 0.000 -2.791) 10.574 19.613 ( -23.031 -0.000 -3.329) 23.271 19.613 ( 23.031 0.000 3.329) 23.271 21.131 ( -3.945 -0.000 -1.395) 4.184 21.131 ( 3.945 0.000 1.395) 4.184 25.937 ( -32.096 -0.000 7.169) 32.886 25.937 ( 32.096 0.000 -7.169) 32.886 27.296 ( -0.336 -0.000 -2.817) 2.837 27.296 ( 0.336 0.000 2.817) 2.837 28.429 ( -0.012 -0.000 -1.383) 1.383 28.429 ( 0.012 0.000 1.383) 1.383 29.100 ( 0.795 0.000 -0.424) 0.900 29.100 ( -0.795 -0.000 0.424) 0.900 31.592 ( 0.279 0.000 -0.483) 0.558 31.592 ( -0.279 -0.000 0.483) 0.558 32.935 ( 1.066 0.000 -3.020) 3.202 32.935 ( -1.066 -0.000 3.020) 3.202 33.402 ( -0.193 -0.000 -1.096) 1.113 33.402 ( 0.193 0.000 1.096) 1.113 33.568 ( -0.373 -0.000 -2.553) 2.580 33.568 ( 0.373 0.000 2.553) 2.580 34.154 ( -9.894 -0.000 2.440) 10.191 34.154 ( 9.894 0.000 -2.440) 10.191 35.728 ( -15.398 -0.000 2.693) 15.632 35.728 ( 15.398 0.000 -2.693) 15.632 ======================= Grid point 209 (88/117) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -19.968 -5.788 -6.022) 21.645 1.159 ( 18.979 -12.839 3.891) 23.242 1.530 ( -9.784 -11.945 -22.361) 27.173 1.563 ( -9.265 -16.102 -2.112) 18.696 1.660 ( 1.133 -3.140 14.466) 14.846 1.722 ( 13.449 -6.277 8.012) 16.866 2.036 ( -0.123 -1.878 -1.357) 2.320 2.114 ( 11.246 -3.320 4.266) 12.478 2.340 ( -14.325 -13.330 -23.449) 30.541 2.566 ( 18.377 -11.872 21.586) 30.735 2.900 ( -4.557 0.240 3.329) 5.649 2.965 ( 4.333 1.840 -0.124) 4.709 3.134 ( -1.830 -1.102 -0.492) 2.192 3.191 ( 5.791 0.964 4.603) 7.461 3.478 ( -8.366 1.056 -3.296) 9.054 3.559 ( 4.228 4.060 0.206) 5.866 3.842 ( -14.269 6.947 -7.427) 17.522 3.974 ( 0.488 6.142 0.037) 6.162 4.034 ( -4.435 5.842 -1.127) 7.421 4.162 ( 9.218 7.793 1.003) 12.113 4.267 ( -5.403 -5.326 -2.683) 8.047 4.330 ( 4.934 -2.591 3.285) 6.468 4.424 ( -4.423 -1.371 -4.256) 6.289 4.501 ( 7.224 -3.934 5.824) 10.078 4.628 ( -5.548 -2.457 0.672) 6.105 4.676 ( 2.293 1.375 -1.237) 2.946 4.757 ( -3.506 -2.824 0.398) 4.519 4.793 ( 1.964 -4.286 1.624) 4.986 4.913 ( 0.152 0.547 6.321) 6.347 4.953 ( 6.097 0.137 -5.125) 7.966 5.122 ( -4.557 -3.429 -0.194) 5.706 5.169 ( 3.023 -4.750 -1.232) 5.763 5.305 ( -5.144 2.333 10.591) 12.003 5.383 ( 7.698 0.774 -8.009) 11.136 5.592 ( -3.405 0.175 -0.463) 3.441 5.642 ( 3.273 0.412 -0.482) 3.333 5.770 ( -3.590 3.158 0.962) 4.877 5.824 ( 5.539 4.539 -4.368) 8.389 5.994 ( -4.838 1.909 4.003) 6.563 6.079 ( 8.066 2.591 -1.292) 8.570 6.474 ( -13.269 5.655 -5.081) 15.292 6.577 ( -4.958 5.024 0.189) 7.062 6.591 ( 0.289 6.581 2.303) 6.978 6.626 ( 1.373 7.017 -4.169) 8.277 6.717 ( -1.452 0.887 5.061) 5.340 6.837 ( 15.923 4.680 3.455) 16.952 6.954 ( -4.146 1.964 -2.353) 5.156 6.996 ( 1.295 0.727 1.138) 1.870 7.113 ( -2.628 -2.745 -4.166) 5.639 7.159 ( 3.344 -3.224 5.145) 6.932 7.622 ( -0.670 -8.316 3.761) 9.152 7.648 ( 3.677 -8.136 -1.320) 9.025 8.126 ( -7.159 9.619 -3.478) 12.484 8.203 ( 4.869 7.390 2.649) 9.237 8.412 ( -6.163 -0.258 -3.924) 7.311 8.487 ( 4.363 -2.733 6.110) 7.990 9.455 ( -3.294 -4.912 0.060) 5.914 9.500 ( 3.401 -6.023 -0.220) 6.920 9.879 ( -0.348 -0.026 -3.608) 3.624 9.891 ( 1.102 -0.325 3.195) 3.395 10.266 ( -3.769 0.898 -2.554) 4.640 10.305 ( 2.050 0.869 2.510) 3.356 11.058 ( -3.118 -1.833 -5.300) 6.416 11.099 ( 2.761 -1.955 5.290) 6.279 12.417 ( -3.855 -1.363 -1.173) 4.254 12.470 ( 4.287 -1.338 1.089) 4.621 13.463 ( -1.073 1.252 -0.610) 1.758 13.473 ( 0.440 0.889 0.455) 1.091 13.791 ( -9.117 1.201 -4.505) 10.240 13.880 ( 4.925 0.541 1.665) 5.227 14.489 ( -1.726 0.204 -0.981) 1.996 14.504 ( 0.195 -0.461 0.508) 0.713 14.798 ( -15.767 6.031 -2.298) 17.037 14.970 ( 9.511 7.543 -0.569) 12.152 15.269 ( -0.776 1.885 -3.624) 4.157 15.285 ( 1.317 1.557 3.542) 4.087 15.760 ( -5.568 0.021 -1.111) 5.677 15.802 ( 0.308 0.042 -0.576) 0.654 16.146 ( 4.068 -0.165 2.106) 4.583 16.170 ( 7.093 0.021 0.785) 7.137 16.515 ( -9.956 2.356 -8.343) 13.201 16.653 ( 11.435 1.723 7.756) 13.924 17.352 ( -8.337 1.488 -0.989) 8.526 17.461 ( 8.733 2.891 -2.447) 9.519 19.397 ( -21.734 5.412 -9.504) 24.331 19.654 ( 16.442 7.628 3.478) 18.456 21.150 ( -4.070 -3.605 0.093) 5.438 21.217 ( 5.952 -4.590 0.098) 7.517 25.652 ( -20.812 8.810 -1.738) 22.667 25.953 ( 24.529 15.738 -7.801) 30.170 27.274 ( 1.256 2.683 2.070) 3.614 27.299 ( 5.129 2.014 -2.096) 5.895 28.431 ( 0.317 0.015 0.611) 0.689 28.433 ( 0.656 -0.025 -0.535) 0.847 29.103 ( -0.732 -0.694 0.365) 1.073 29.112 ( 0.770 -0.674 -0.354) 1.083 31.631 ( -0.269 -3.584 0.339) 3.610 31.636 ( 0.543 -3.962 -0.857) 4.090 32.937 ( -3.086 -1.139 1.412) 3.580 32.971 ( 2.383 -2.693 -0.953) 3.720 33.355 ( -5.614 2.120 6.157) 8.598 33.402 ( 2.446 0.311 -5.657) 6.171 33.618 ( -0.804 -5.228 -3.440) 6.310 33.640 ( 2.259 -5.875 3.239) 7.079 34.209 ( -10.412 -11.406 -0.186) 15.444 34.296 ( 2.982 -8.655 2.519) 9.495 35.583 ( -11.607 5.463 6.366) 14.321 35.746 ( 13.196 7.235 -0.908) 15.077 ======================= Grid point 210 (89/117) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -20.762 -11.171 -1.424) 23.620 1.445 ( 6.308 -6.346 -1.235) 9.032 1.651 ( 1.213 -6.855 4.373) 8.221 1.716 ( 8.877 -6.778 -16.212) 19.687 1.908 ( -8.259 -18.493 -12.301) 23.696 2.005 ( -1.593 0.054 12.364) 12.466 2.115 ( 9.912 -16.958 16.576) 25.702 2.273 ( 10.099 -3.972 -5.728) 12.272 2.577 ( -10.598 -18.527 -9.019) 23.171 2.857 ( -5.542 -6.174 9.524) 12.630 2.926 ( 1.980 -0.858 6.901) 7.230 2.976 ( 9.263 -10.436 -8.121) 16.145 3.201 ( 4.398 -0.355 -3.821) 5.837 3.248 ( 8.816 -4.048 13.079) 16.284 3.412 ( -6.740 2.117 3.514) 7.890 3.479 ( 0.577 5.217 -6.547) 8.391 3.637 ( -10.035 3.483 -5.193) 11.824 3.832 ( -11.100 0.449 -2.792) 11.454 3.936 ( 8.559 11.717 6.426) 15.869 4.093 ( 6.707 -1.536 -4.778) 8.377 4.333 ( -7.298 -1.987 -1.684) 7.749 4.413 ( 2.499 -1.959 1.623) 3.566 4.430 ( -2.959 -3.528 -3.630) 5.863 4.557 ( -1.531 3.248 0.189) 3.595 4.616 ( -1.883 2.026 1.797) 3.299 4.673 ( 6.591 -2.829 3.506) 7.983 4.742 ( -1.087 3.353 -3.373) 4.878 4.824 ( 2.844 3.116 3.967) 5.791 4.923 ( 0.533 -1.592 5.299) 5.559 5.018 ( 6.018 -1.606 -3.400) 7.097 5.156 ( -3.627 -1.715 -0.425) 4.035 5.186 ( -1.315 2.779 1.899) 3.614 5.260 ( -4.407 -0.654 -0.537) 4.488 5.434 ( 2.604 0.051 2.035) 3.305 5.491 ( -1.441 5.510 0.215) 5.699 5.651 ( -1.494 -0.955 0.994) 2.032 5.733 ( 7.942 8.375 -1.076) 11.592 5.774 ( 4.220 -2.450 -6.276) 7.950 5.967 ( -2.415 -0.884 2.786) 3.792 6.088 ( 3.481 0.690 0.742) 3.626 6.270 ( -9.987 6.640 -4.838) 12.932 6.365 ( -6.234 9.577 -3.722) 12.018 6.446 ( 1.384 8.712 -0.995) 8.877 6.573 ( 6.693 3.741 4.638) 8.961 6.696 ( 0.076 0.579 5.006) 5.040 6.786 ( 6.430 7.113 0.006) 9.589 6.902 ( -5.760 0.523 -3.723) 6.879 6.989 ( -0.598 0.579 0.329) 0.896 7.117 ( -3.101 -0.019 -5.480) 6.296 7.217 ( 3.484 0.186 6.586) 7.453 7.702 ( -0.405 3.979 2.395) 4.662 7.752 ( 3.622 -1.081 -1.102) 3.937 7.996 ( -4.966 -2.976 -4.539) 7.357 8.110 ( 2.343 3.779 5.925) 7.408 8.394 ( -5.468 -2.318 -2.006) 6.269 8.573 ( 5.577 -2.176 5.452) 8.097 9.528 ( -4.630 -4.849 -0.047) 6.705 9.626 ( 1.344 -5.092 -0.815) 5.329 9.865 ( -0.190 1.423 -3.737) 4.003 9.904 ( 1.899 0.113 2.827) 3.407 10.217 ( -3.391 1.633 -3.012) 4.820 10.290 ( 1.413 1.816 2.869) 3.677 11.083 ( -2.969 -2.797 -4.421) 6.015 11.168 ( 2.712 -3.119 4.600) 6.185 12.429 ( -3.053 -2.031 -1.073) 3.821 12.528 ( 3.704 -1.893 0.899) 4.256 13.426 ( -1.261 1.637 -1.036) 2.312 13.453 ( 0.809 1.554 1.110) 2.074 13.701 ( -9.231 1.664 -6.073) 11.175 13.901 ( 4.938 0.532 2.429) 5.529 14.466 ( -2.467 0.887 -1.374) 2.960 14.514 ( -1.394 -0.702 -0.698) 1.710 14.597 ( -7.121 6.300 -1.360) 9.605 14.847 ( 6.248 8.940 2.243) 11.135 15.242 ( -0.994 0.060 -2.725) 2.901 15.276 ( 0.801 0.381 2.797) 2.935 15.717 ( -5.964 0.587 -1.124) 6.097 15.787 ( -1.984 0.858 -1.474) 2.616 16.183 ( 6.783 0.215 2.781) 7.334 16.212 ( 6.962 0.450 0.814) 7.024 16.397 ( -10.017 2.699 -7.852) 13.011 16.693 ( 12.385 2.194 7.382) 14.584 17.293 ( -5.321 0.093 -3.604) 6.427 17.449 ( 6.190 2.796 -0.506) 6.811 19.188 ( -14.845 3.747 -10.208) 18.401 19.586 ( 10.784 7.630 5.322) 14.242 21.197 ( -4.016 -3.696 0.594) 5.490 21.333 ( 4.807 -3.509 -0.164) 5.954 25.410 ( -7.720 7.022 -3.100) 10.886 25.730 ( 13.063 17.408 -2.843) 21.949 27.218 ( 0.998 3.750 3.561) 5.267 27.271 ( 4.408 3.820 -2.835) 6.485 28.430 ( 0.260 0.248 0.990) 1.053 28.437 ( 0.751 -0.001 -0.796) 1.094 29.114 ( -0.604 -0.787 0.279) 1.030 29.129 ( 0.500 -0.592 -0.317) 0.837 31.710 ( -0.313 -4.591 1.047) 4.719 31.726 ( 1.001 -4.580 -2.239) 5.196 32.936 ( -4.590 -1.208 1.761) 5.062 33.055 ( 4.224 -3.533 -0.563) 5.535 33.279 ( -6.620 1.772 3.899) 7.884 33.417 ( 3.850 0.185 -3.852) 5.449 33.744 ( -0.867 -8.373 -4.129) 9.376 33.803 ( 3.009 -9.009 3.887) 10.263 34.393 ( -8.160 -12.480 -2.659) 15.146 34.471 ( -2.268 -8.835 1.894) 9.316 35.406 ( -6.973 6.758 7.021) 11.983 35.646 ( 8.253 9.293 -1.173) 12.484 ======================= Grid point 211 (90/117) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -13.298 -11.939 1.132) 17.907 1.558 ( 0.459 -5.524 1.074) 5.646 1.796 ( 7.662 -4.480 -7.956) 11.920 1.873 ( -3.323 -4.525 -0.800) 5.671 2.060 ( 10.069 -7.655 4.877) 13.556 2.157 ( -1.966 -8.794 -2.288) 9.297 2.334 ( 6.087 -3.229 -4.634) 8.304 2.541 ( 2.720 -16.038 6.537) 17.531 2.761 ( -7.203 -5.587 -10.381) 13.816 2.946 ( -5.502 -7.802 11.504) 14.949 3.005 ( -3.809 -10.035 3.963) 11.442 3.159 ( 0.936 -1.406 -3.514) 3.898 3.236 ( -2.028 5.049 -1.903) 5.764 3.334 ( 3.123 -2.490 -4.746) 6.203 3.382 ( 1.391 -1.423 -2.405) 3.121 3.414 ( 6.290 -2.710 9.947) 12.077 3.623 ( 2.856 -1.752 -1.210) 3.562 3.752 ( -2.187 5.057 0.540) 5.536 3.869 ( -2.838 -3.943 2.707) 5.561 4.190 ( 1.242 -1.889 -3.017) 3.770 4.267 ( -4.348 4.338 -2.882) 6.785 4.417 ( 3.584 4.819 -2.258) 6.416 4.459 ( -1.616 -3.562 -3.760) 5.426 4.478 ( 0.828 3.889 2.582) 4.741 4.565 ( -2.286 0.857 -0.398) 2.474 4.690 ( -0.009 -1.093 -0.871) 1.398 4.748 ( 2.311 5.205 4.998) 7.577 4.768 ( 3.534 -0.936 5.531) 6.630 4.909 ( -0.126 4.347 -0.149) 4.351 5.060 ( 3.020 -0.484 -0.475) 3.096 5.094 ( 1.038 3.539 2.994) 4.750 5.191 ( -4.470 -1.524 -1.617) 4.992 5.242 ( -2.680 -0.053 -1.840) 3.251 5.330 ( -1.245 3.894 -1.311) 4.293 5.479 ( 6.610 4.485 3.574) 8.751 5.629 ( 2.265 4.910 -3.936) 6.688 5.639 ( -4.705 -0.558 3.164) 5.697 5.862 ( 4.419 -3.074 -5.009) 7.353 5.984 ( -0.991 -1.668 4.705) 5.090 6.055 ( -1.775 3.248 -0.432) 3.726 6.136 ( -5.568 3.110 -3.783) 7.415 6.185 ( -0.770 4.813 -1.145) 5.006 6.297 ( 1.549 7.987 -2.870) 8.627 6.556 ( 7.877 2.793 6.551) 10.619 6.680 ( 0.783 3.747 -1.956) 4.299 6.709 ( -0.829 1.161 2.788) 3.132 6.844 ( -3.902 1.255 -2.549) 4.827 6.973 ( -1.981 -0.244 -1.103) 2.281 7.083 ( -3.415 0.917 -7.185) 8.008 7.202 ( 1.627 2.277 8.244) 8.706 7.589 ( -0.306 5.016 -1.259) 5.181 7.778 ( 6.554 0.765 2.394) 7.019 8.035 ( -2.848 0.032 -3.917) 4.844 8.080 ( -0.602 0.041 2.814) 2.878 8.434 ( -3.351 -4.293 2.372) 5.940 8.632 ( 3.315 -0.974 1.728) 3.863 9.581 ( -3.852 -3.634 -0.136) 5.298 9.714 ( -0.616 -4.159 -0.524) 4.237 9.818 ( 0.157 3.248 -3.093) 4.488 9.909 ( 1.957 0.863 1.828) 2.813 10.166 ( -2.161 1.682 -2.849) 3.951 10.262 ( 1.106 1.833 2.725) 3.465 11.120 ( -2.303 -2.685 -3.104) 4.706 11.246 ( 2.248 -3.037 3.381) 5.070 12.450 ( -2.080 -1.791 -0.873) 2.880 12.583 ( 2.671 -1.634 0.636) 3.196 13.391 ( -0.587 1.192 -1.062) 1.701 13.428 ( 0.836 1.605 1.566) 2.393 13.618 ( -6.850 1.368 -5.408) 8.834 13.920 ( 4.520 0.818 2.672) 5.314 14.418 ( -2.534 2.619 -1.381) 3.897 14.452 ( -4.446 2.864 -1.681) 5.550 14.540 ( 1.593 -0.010 1.499) 2.187 14.742 ( 3.988 5.288 2.349) 7.027 15.250 ( -0.880 -1.375 -1.191) 2.021 15.278 ( -0.218 -0.295 1.800) 1.837 15.668 ( -4.862 0.748 -0.846) 4.991 15.751 ( -2.409 1.197 -1.595) 3.128 16.213 ( 6.136 1.537 2.940) 6.976 16.234 ( 3.736 0.816 0.164) 3.827 16.302 ( -7.416 0.595 -6.483) 9.869 16.725 ( 10.474 2.242 6.044) 12.299 17.275 ( -3.058 -0.865 -3.591) 4.795 17.438 ( 3.964 1.674 0.343) 4.317 19.057 ( -8.918 2.198 -7.136) 11.631 19.516 ( 6.736 5.440 4.499) 9.758 21.236 ( -2.999 -2.661 0.516) 4.042 21.406 ( 2.763 -1.730 -0.099) 3.261 25.270 ( -2.025 4.785 -1.467) 5.399 25.500 ( 5.870 12.170 -0.800) 13.535 27.155 ( 0.463 3.240 3.204) 4.580 27.216 ( 2.659 3.840 -2.430) 5.265 28.427 ( 0.122 0.261 0.578) 0.646 28.441 ( 0.673 0.077 -0.426) 0.800 29.123 ( -0.433 -0.492 0.222) 0.691 29.139 ( 0.174 -0.217 -0.303) 0.411 31.795 ( 0.040 -4.215 1.023) 4.337 31.812 ( 0.820 -3.776 -2.017) 4.359 32.930 ( -4.009 -1.013 1.839) 4.526 33.142 ( 6.409 -1.468 -0.955) 6.644 33.210 ( -7.446 0.563 1.336) 7.586 33.435 ( 3.504 0.318 -1.550) 3.845 33.907 ( -0.846 -8.711 -3.240) 9.332 34.008 ( 3.141 -9.673 3.776) 10.849 34.553 ( -5.215 -8.377 0.417) 9.876 34.599 ( -3.607 -6.443 -3.757) 8.285 35.251 ( -4.202 5.820 5.558) 9.078 35.521 ( 4.206 7.313 -0.667) 8.463 ======================= Grid point 212 (91/117) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -6.279 -7.756 0.512) 9.992 1.662 ( 1.597 -3.551 0.675) 3.952 1.887 ( 1.932 -5.482 3.258) 6.663 1.999 ( 4.357 -5.980 -2.092) 7.689 2.195 ( -5.870 -2.027 0.063) 6.211 2.255 ( 7.018 0.140 -6.642) 9.664 2.442 ( 3.393 -6.580 -1.852) 7.632 2.711 ( -0.749 -0.939 2.800) 3.047 2.882 ( -5.521 -11.899 -5.365) 14.172 3.030 ( -8.391 1.413 2.664) 8.917 3.104 ( 3.012 -1.086 6.402) 7.158 3.186 ( 2.015 -6.037 1.012) 6.444 3.217 ( -1.781 -5.139 -1.003) 5.531 3.333 ( 5.213 4.049 3.134) 7.307 3.415 ( -0.305 -5.069 -4.900) 7.057 3.518 ( 5.173 0.545 -1.733) 5.483 3.665 ( -1.860 1.625 3.541) 4.317 3.726 ( 2.331 -4.218 0.595) 4.856 3.911 ( -1.879 -0.963 1.646) 2.677 4.090 ( -3.360 8.629 1.347) 9.358 4.137 ( -1.762 3.824 -4.001) 5.808 4.373 ( 2.831 6.043 -0.369) 6.683 4.428 ( -0.744 1.126 -3.018) 3.306 4.514 ( 1.829 0.524 -2.750) 3.344 4.563 ( -2.369 -4.334 -1.586) 5.187 4.655 ( -0.454 4.882 5.277) 7.203 4.760 ( 1.474 -3.037 2.378) 4.129 4.772 ( -4.729 -0.716 0.450) 4.804 4.835 ( 2.918 0.938 1.375) 3.360 5.028 ( -0.901 2.594 0.534) 2.797 5.085 ( 3.931 2.861 -0.326) 4.873 5.179 ( 0.076 0.086 2.725) 2.727 5.247 ( -2.354 -1.019 1.592) 3.019 5.275 ( 2.004 0.013 -7.148) 7.424 5.442 ( 1.106 1.124 -0.506) 1.656 5.517 ( 1.223 6.984 0.166) 7.092 5.691 ( -1.746 -6.004 3.173) 7.012 5.904 ( 3.623 1.857 -0.070) 4.072 5.996 ( -2.588 -0.238 1.123) 2.831 6.020 ( -0.570 -1.051 -1.143) 1.654 6.052 ( -2.187 2.083 0.888) 3.148 6.124 ( -1.046 5.052 -3.726) 6.364 6.183 ( 1.332 2.343 -2.103) 3.419 6.532 ( 4.608 5.812 5.317) 9.126 6.622 ( 1.447 1.513 0.635) 2.188 6.668 ( -4.385 -0.419 -3.506) 5.630 6.866 ( 1.141 -3.107 0.729) 3.389 6.975 ( -0.615 -0.735 -1.128) 1.480 7.063 ( -4.198 -2.064 -5.868) 7.504 7.174 ( 0.448 1.783 6.601) 6.852 7.521 ( 0.797 2.462 -0.744) 2.693 7.800 ( 5.717 1.506 2.839) 6.558 7.968 ( -3.463 2.960 -2.631) 5.260 8.078 ( -0.100 0.533 -0.158) 0.565 8.494 ( -1.704 -3.057 3.015) 4.619 8.657 ( 1.168 -0.281 -0.764) 1.423 9.626 ( -1.948 -3.078 0.767) 3.723 9.744 ( -1.945 2.673 -3.397) 4.740 9.786 ( 1.326 -2.147 0.890) 2.675 9.896 ( 1.159 1.434 0.692) 1.969 10.129 ( -1.001 0.903 -1.896) 2.327 10.240 ( 0.700 1.057 1.838) 2.233 11.150 ( -1.251 -1.616 -1.577) 2.582 11.307 ( 1.291 -1.851 1.788) 2.879 12.467 ( -1.066 -0.973 -0.516) 1.533 12.621 ( 1.405 -0.917 0.340) 1.712 13.374 ( 0.079 0.420 -0.850) 0.951 13.405 ( 0.297 1.159 1.325) 1.785 13.564 ( -3.524 0.676 -3.096) 4.739 13.926 ( 2.711 0.894 1.774) 3.360 14.355 ( -1.763 1.739 -1.118) 2.717 14.396 ( -0.780 1.725 0.185) 1.902 14.553 ( 0.742 -0.346 0.534) 0.978 14.692 ( 1.485 2.028 1.058) 2.728 15.274 ( -0.366 -1.287 -0.158) 1.347 15.284 ( -0.392 -0.439 0.856) 1.039 15.632 ( -2.730 0.478 -0.429) 2.805 15.717 ( -1.588 0.872 -1.006) 2.072 16.187 ( -0.479 1.782 -0.545) 1.924 16.247 ( 2.633 0.156 1.143) 2.875 16.279 ( -1.161 -0.248 -2.522) 2.788 16.741 ( 5.855 1.508 3.352) 6.914 17.278 ( -1.306 -0.807 -2.064) 2.572 17.433 ( 1.972 0.764 0.348) 2.143 18.982 ( -4.233 1.177 -3.541) 5.643 19.468 ( 3.287 2.844 2.419) 4.974 21.261 ( -1.580 -1.353 0.299) 2.102 21.440 ( 1.165 -0.612 -0.061) 1.317 25.193 ( -0.351 2.516 -0.412) 2.573 25.349 ( 2.095 6.055 -0.279) 6.413 27.108 ( 0.146 1.845 1.827) 2.600 27.166 ( 1.169 2.323 -1.401) 2.954 28.423 ( 0.060 0.137 0.258) 0.298 28.442 ( 0.389 0.099 -0.183) 0.441 29.127 ( -0.231 -0.189 0.143) 0.332 29.141 ( 0.004 0.006 -0.214) 0.214 31.863 ( 0.177 -2.557 0.842) 2.697 31.874 ( 0.452 -2.176 -1.344) 2.597 32.929 ( -2.148 -0.828 1.172) 2.584 33.135 ( 0.100 2.381 -0.750) 2.499 33.219 ( -0.535 -2.289 0.171) 2.357 33.446 ( 1.969 0.325 -0.330) 2.022 34.043 ( -0.506 -5.526 -1.686) 5.800 34.188 ( 2.382 -6.492 2.617) 7.394 34.644 ( -2.124 -3.503 2.304) 4.700 34.673 ( -2.801 -3.714 -5.730) 7.380 35.142 ( -2.252 3.441 3.296) 5.270 35.430 ( 1.572 3.878 -0.073) 4.185 ======================= Grid point 213 (92/117) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -0.000 0.000 0.000) 0.000 1.699 ( 0.000 0.000 0.000) 0.000 2.026 ( -0.000 0.000 0.000) 0.000 2.075 ( -0.000 0.000 0.000) 0.000 2.103 ( 0.000 0.000 0.000) 0.000 2.284 ( -0.000 0.000 0.000) 0.000 2.583 ( -0.000 0.000 0.000) 0.000 2.647 ( -0.000 0.000 0.000) 0.000 2.979 ( -0.000 0.000 0.000) 0.000 3.022 ( 0.000 0.000 0.000) 0.000 3.092 ( -0.000 0.000 0.000) 0.000 3.252 ( -0.000 -0.000 -0.000) 0.000 3.266 ( -0.000 0.000 0.000) 0.000 3.342 ( -0.000 0.000 0.000) 0.000 3.512 ( -0.000 0.000 0.000) 0.000 3.527 ( -0.000 0.000 0.000) 0.000 3.592 ( 0.000 -0.000 -0.000) 0.000 3.790 ( -0.000 0.000 -0.000) 0.000 3.915 ( -0.000 0.000 0.000) 0.000 3.972 ( -0.000 0.000 0.000) 0.000 4.095 ( -0.000 0.000 0.000) 0.000 4.312 ( -0.000 0.000 -0.000) 0.000 4.393 ( 0.000 0.000 0.000) 0.000 4.508 ( -0.000 0.000 -0.000) 0.000 4.542 ( -0.000 0.000 0.000) 0.000 4.660 ( -0.000 0.000 -0.000) 0.000 4.752 ( 0.000 0.000 0.000) 0.000 4.811 ( -0.000 0.000 0.000) 0.000 4.863 ( 0.000 0.000 -0.000) 0.000 4.988 ( -0.000 0.000 -0.000) 0.000 5.057 ( -0.000 0.000 0.000) 0.000 5.158 ( 0.000 0.000 -0.000) 0.000 5.255 ( -0.000 0.000 -0.000) 0.000 5.365 ( -0.000 0.000 0.000) 0.000 5.381 ( -0.000 -0.000 -0.000) 0.000 5.447 ( -0.000 0.000 0.000) 0.000 5.786 ( -0.000 0.000 0.000) 0.000 5.872 ( -0.000 0.000 -0.000) 0.000 5.996 ( -0.000 0.000 0.000) 0.000 6.025 ( -0.000 0.000 -0.000) 0.000 6.031 ( -0.000 0.000 0.000) 0.000 6.036 ( -0.000 0.000 0.000) 0.000 6.179 ( -0.000 0.000 -0.000) 0.000 6.472 ( -0.000 0.000 -0.000) 0.000 6.617 ( -0.000 0.000 -0.000) 0.000 6.667 ( 0.000 0.000 0.000) 0.000 6.909 ( -0.000 0.000 0.000) 0.000 6.984 ( -0.000 0.000 0.000) 0.000 7.084 ( 0.000 0.000 0.000) 0.000 7.149 ( -0.000 0.000 -0.000) 0.000 7.500 ( -0.000 0.000 -0.000) 0.000 7.798 ( -0.000 0.000 0.000) 0.000 7.923 ( -0.000 0.000 -0.000) 0.000 8.069 ( -0.000 0.000 0.000) 0.000 8.520 ( -0.000 0.000 -0.000) 0.000 8.662 ( -0.000 0.000 0.000) 0.000 9.674 ( -0.000 0.000 -0.000) 0.000 9.683 ( -0.000 -0.000 0.000) 0.000 9.820 ( -0.000 0.000 0.000) 0.000 9.880 ( -0.000 0.000 0.000) 0.000 10.118 ( -0.000 0.000 0.000) 0.000 10.232 ( -0.000 0.000 0.000) 0.000 11.162 ( -0.000 0.000 0.000) 0.000 11.329 ( -0.000 0.000 0.000) 0.000 12.473 ( -0.000 0.000 0.000) 0.000 12.635 ( -0.000 0.000 -0.000) 0.000 13.372 ( -0.000 0.000 0.000) 0.000 13.393 ( -0.000 0.000 0.000) 0.000 13.546 ( -0.000 0.000 0.000) 0.000 13.926 ( 0.000 0.000 0.000) 0.000 14.334 ( -0.000 0.000 0.000) 0.000 14.376 ( -0.000 0.000 0.000) 0.000 14.559 ( -0.000 0.000 -0.000) 0.000 14.678 ( 0.000 0.000 0.000) 0.000 15.286 ( 0.000 0.000 0.000) 0.000 15.288 ( -0.000 0.000 -0.000) 0.000 15.618 ( -0.000 0.000 0.000) 0.000 15.702 ( -0.000 0.000 0.000) 0.000 16.167 ( -0.000 0.000 0.000) 0.000 16.254 ( -0.000 0.000 0.000) 0.000 16.278 ( -0.000 0.000 -0.000) 0.000 16.745 ( -0.000 0.000 0.000) 0.000 17.282 ( -0.000 0.000 0.000) 0.000 17.432 ( -0.000 0.000 0.000) 0.000 18.957 ( -0.000 0.000 0.000) 0.000 19.451 ( -0.000 0.000 0.000) 0.000 21.269 ( -0.000 0.000 0.000) 0.000 21.448 ( -0.000 0.000 0.000) 0.000 25.168 ( -0.000 0.000 0.000) 0.000 25.298 ( -0.000 0.000 0.000) 0.000 27.090 ( -0.000 0.000 0.000) 0.000 27.147 ( -0.000 0.000 0.000) 0.000 28.422 ( -0.000 0.000 0.000) 0.000 28.442 ( -0.000 0.000 0.000) 0.000 29.128 ( -0.000 0.000 0.000) 0.000 29.140 ( -0.000 0.000 -0.000) 0.000 31.889 ( 0.000 0.000 -0.000) 0.000 31.896 ( -0.000 0.000 0.000) 0.000 32.931 ( -0.000 0.000 0.000) 0.000 33.109 ( -0.000 0.000 0.000) 0.000 33.241 ( -0.000 0.000 0.000) 0.000 33.448 ( -0.000 0.000 0.000) 0.000 34.096 ( -0.000 0.000 0.000) 0.000 34.262 ( -0.000 0.000 0.000) 0.000 34.669 ( -0.000 0.000 -0.000) 0.000 34.700 ( -0.000 0.000 0.000) 0.000 35.101 ( -0.000 0.000 0.000) 0.000 35.397 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 220 (93/117) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -3.610 -0.000 -7.052) 7.922 1.030 ( 11.487 0.000 -3.309) 11.954 1.257 ( -8.117 -0.000 1.132) 8.196 1.377 ( -7.285 -0.000 -26.783) 27.756 1.612 ( 2.618 0.000 22.031) 22.186 1.851 ( 13.442 0.000 19.257) 23.484 1.950 ( -1.246 -0.000 -12.804) 12.864 2.115 ( -9.830 -0.000 -8.500) 12.995 2.201 ( 15.701 0.000 -13.347) 20.607 2.581 ( 20.605 0.000 21.661) 29.896 2.891 ( -1.076 -0.000 3.174) 3.351 3.030 ( 7.967 0.000 11.320) 13.843 3.102 ( -5.815 -0.000 -7.064) 9.150 3.222 ( 2.251 0.000 11.359) 11.580 3.416 ( -11.422 -0.000 -7.316) 13.565 3.640 ( 4.075 0.000 -1.889) 4.492 3.859 ( -17.585 -0.000 -9.775) 20.119 3.991 ( -7.394 -0.000 -6.579) 9.897 4.105 ( -2.672 -0.000 -5.746) 6.336 4.118 ( -0.400 -0.000 1.861) 1.903 4.232 ( -2.632 -0.000 -1.020) 2.823 4.385 ( -2.323 -0.000 -2.597) 3.484 4.446 ( 2.398 0.000 1.839) 3.022 4.446 ( 1.352 0.000 5.219) 5.392 4.610 ( 10.362 0.000 1.446) 10.462 4.666 ( 3.407 0.000 3.269) 4.722 4.720 ( -3.660 -0.000 1.140) 3.833 4.758 ( 1.217 0.000 5.075) 5.219 4.913 ( 1.694 0.000 5.496) 5.751 4.996 ( 6.406 0.000 -2.372) 6.831 5.090 ( -0.366 -0.000 8.088) 8.096 5.094 ( -1.535 -0.000 -11.047) 11.153 5.323 ( -1.507 -0.000 13.340) 13.424 5.436 ( 6.205 0.000 -8.772) 10.745 5.578 ( 0.967 0.000 -3.346) 3.483 5.678 ( 5.140 0.000 -3.952) 6.484 5.760 ( -7.822 -0.000 0.968) 7.882 5.882 ( 3.164 0.000 -5.778) 6.587 6.013 ( -1.509 -0.000 8.192) 8.329 6.183 ( 10.089 0.000 -2.554) 10.407 6.431 ( -16.185 -0.000 -4.257) 16.735 6.577 ( -4.924 -0.000 3.670) 6.141 6.641 ( -3.422 -0.000 -2.095) 4.013 6.681 ( -3.220 -0.000 -4.817) 5.794 6.753 ( 3.081 0.000 6.986) 7.635 6.916 ( -3.294 -0.000 -2.571) 4.178 7.013 ( -5.075 -0.000 -4.605) 6.853 7.039 ( 2.447 0.000 2.281) 3.345 7.114 ( 0.990 0.000 2.216) 2.427 7.125 ( 22.989 0.000 14.408) 27.131 7.543 ( 1.941 0.000 5.998) 6.304 7.549 ( 4.250 0.000 -5.410) 6.879 8.260 ( -0.990 -0.000 3.921) 4.044 8.290 ( 1.651 0.000 -4.001) 4.328 8.337 ( -11.329 -0.000 -1.580) 11.438 8.451 ( -1.984 -0.000 2.356) 3.080 9.410 ( 0.674 0.000 -1.398) 1.552 9.441 ( 3.046 0.000 2.100) 3.700 9.876 ( 0.275 0.000 -3.536) 3.546 9.893 ( 1.096 0.000 2.783) 2.991 10.248 ( -4.252 -0.000 -2.255) 4.813 10.323 ( 1.127 0.000 1.989) 2.287 11.018 ( -3.240 -0.000 -4.952) 5.918 11.096 ( 2.155 0.000 4.973) 5.420 12.381 ( -3.036 -0.000 -0.688) 3.113 12.483 ( 3.959 0.000 0.545) 3.996 13.472 ( -1.419 -0.000 -0.285) 1.447 13.477 ( -0.444 -0.000 -0.448) 0.630 13.739 ( -10.435 -0.000 -5.768) 11.923 13.906 ( 2.504 0.000 0.097) 2.506 14.485 ( -1.253 -0.000 -0.674) 1.422 14.490 ( -1.952 -0.000 -0.370) 1.987 14.749 ( -15.532 -0.000 -1.977) 15.657 15.079 ( 2.148 0.000 -4.361) 4.862 15.292 ( -0.373 -0.000 -2.756) 2.781 15.314 ( 0.862 0.000 2.107) 2.277 15.726 ( -5.077 -0.000 -0.790) 5.138 15.797 ( -1.265 -0.000 -1.290) 1.807 16.187 ( 8.332 0.000 2.530) 8.707 16.227 ( 9.431 0.000 2.623) 9.789 16.482 ( -8.196 -0.000 -8.346) 11.697 16.746 ( 12.295 0.000 7.344) 14.322 17.313 ( -8.638 -0.000 -1.688) 8.801 17.551 ( 8.612 0.000 -5.891) 10.434 19.305 ( -22.786 -0.000 -9.830) 24.816 19.819 ( 8.355 0.000 -4.644) 9.559 21.109 ( 0.886 0.000 -1.092) 1.406 21.193 ( 5.047 0.000 1.065) 5.158 25.607 ( -18.206 -0.000 -3.261) 18.496 26.282 ( 19.715 0.000 -21.207) 28.956 27.333 ( 5.388 0.000 -2.870) 6.105 27.380 ( 13.544 0.000 -0.763) 13.565 28.435 ( 0.976 0.000 -1.385) 1.694 28.441 ( 1.886 0.000 1.179) 2.224 29.092 ( -0.417 -0.000 0.344) 0.540 29.109 ( 0.683 0.000 -0.308) 0.749 31.589 ( -0.139 -0.000 0.474) 0.494 31.595 ( 0.283 0.000 -0.446) 0.528 32.920 ( -1.651 -0.000 3.074) 3.489 32.940 ( -0.264 -0.000 -2.341) 2.356 33.362 ( -6.173 -0.000 0.898) 6.238 33.383 ( -2.677 -0.000 0.480) 2.720 33.571 ( 0.958 0.000 -2.055) 2.267 33.580 ( 1.035 0.000 2.933) 3.110 34.003 ( -12.631 -0.000 6.616) 14.259 34.223 ( 1.372 0.000 1.555) 2.074 35.575 ( -8.479 -0.000 9.091) 12.431 35.907 ( 11.239 0.000 2.742) 11.569 ======================= Grid point 221 (94/117) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -4.156 2.070 -8.051) 9.294 1.297 ( -0.926 -11.282 -6.293) 12.952 1.430 ( -3.681 -15.141 -14.325) 21.166 1.508 ( 7.707 -16.576 -1.901) 18.378 1.672 ( 0.542 -3.233 13.006) 13.413 1.873 ( 9.283 -4.787 2.029) 10.640 2.084 ( 4.006 -4.058 13.133) 14.317 2.188 ( -6.185 -11.555 -19.783) 23.731 2.275 ( 11.183 -2.135 4.974) 12.424 2.786 ( 13.309 -4.398 6.832) 15.594 2.886 ( 2.969 -1.802 5.219) 6.269 2.974 ( -1.907 4.309 -2.232) 5.214 3.169 ( 5.243 -5.138 8.905) 11.541 3.262 ( 3.749 -1.688 9.066) 9.954 3.357 ( -10.189 -1.056 -5.047) 11.419 3.590 ( 0.604 5.185 -2.480) 5.779 3.653 ( -12.449 6.988 -9.022) 16.888 3.853 ( -10.864 6.604 -6.075) 14.090 4.065 ( 1.077 0.645 -2.700) 2.978 4.183 ( -6.222 -6.008 -5.420) 10.207 4.231 ( 1.228 5.576 1.244) 5.843 4.376 ( -3.558 -1.464 1.664) 4.192 4.400 ( 5.142 1.306 2.543) 5.884 4.552 ( -3.801 -5.952 0.602) 7.088 4.590 ( 2.649 1.145 0.581) 2.944 4.710 ( -2.833 -1.176 2.854) 4.190 4.721 ( 5.606 0.522 2.417) 6.127 4.821 ( 3.071 -3.072 1.938) 4.756 4.948 ( 3.288 -0.062 3.446) 4.764 5.035 ( 6.871 -0.281 -1.105) 6.965 5.064 ( -3.989 -1.508 1.345) 4.471 5.201 ( 2.429 -5.993 -0.792) 6.515 5.273 ( -0.918 4.604 9.940) 10.993 5.450 ( 2.358 0.557 -4.078) 4.743 5.594 ( 3.827 3.464 -3.175) 6.060 5.646 ( -2.620 2.031 0.962) 3.452 5.747 ( 1.436 -2.203 -6.228) 6.760 5.895 ( 5.860 1.721 -5.248) 8.052 5.975 ( 0.754 2.534 7.110) 7.586 6.166 ( 4.598 5.203 -0.841) 6.994 6.322 ( -8.589 3.970 -3.286) 10.017 6.466 ( -9.580 5.587 -3.214) 11.547 6.592 ( -0.764 6.226 0.552) 6.297 6.627 ( -1.386 1.005 -0.014) 1.712 6.739 ( 2.580 2.513 6.037) 7.030 6.865 ( -7.742 0.705 -3.610) 8.571 6.966 ( -4.568 0.281 -3.190) 5.579 7.046 ( 10.169 7.132 3.984) 13.044 7.121 ( 4.750 1.474 -0.102) 4.974 7.204 ( 4.318 -1.255 5.954) 7.462 7.637 ( 2.535 -8.008 5.574) 10.081 7.704 ( 5.021 -7.281 0.860) 8.886 8.023 ( -8.652 10.535 -3.536) 14.084 8.254 ( 2.880 6.455 2.283) 7.428 8.341 ( -4.601 0.033 -3.288) 5.655 8.509 ( -1.927 -7.037 5.912) 9.391 9.429 ( -0.730 -2.574 0.391) 2.704 9.530 ( 1.237 -5.231 -0.607) 5.409 9.879 ( 0.724 0.099 -3.443) 3.520 9.909 ( 1.515 -0.600 2.378) 2.883 10.216 ( -3.444 0.639 -2.466) 4.284 10.321 ( 0.459 0.771 2.140) 2.320 11.017 ( -2.951 -1.961 -3.963) 5.316 11.131 ( 1.547 -2.154 4.301) 5.053 12.379 ( -1.885 -1.352 -0.174) 2.326 12.519 ( 3.153 -1.259 0.011) 3.395 13.444 ( -1.941 1.225 -1.151) 2.568 13.475 ( -0.150 0.299 0.405) 0.525 13.668 ( -8.294 0.835 -5.671) 10.082 13.923 ( 2.021 -0.416 0.409) 2.104 14.464 ( -2.107 0.519 -0.981) 2.382 14.487 ( -2.703 -0.574 -1.181) 3.005 14.640 ( -7.824 2.958 -0.507) 8.380 15.014 ( -2.046 5.867 -4.122) 7.457 15.263 ( 0.285 2.044 -3.115) 3.736 15.305 ( 1.337 1.387 3.112) 3.660 15.691 ( -4.709 0.465 -0.479) 4.756 15.784 ( -2.107 0.371 -1.795) 2.793 16.239 ( 8.132 0.236 2.006) 8.379 16.274 ( 7.582 0.907 2.233) 7.956 16.401 ( -6.314 3.159 -6.585) 9.654 16.812 ( 12.842 1.642 6.746) 14.598 17.260 ( -5.727 0.174 -3.661) 6.799 17.556 ( 6.571 3.632 -4.353) 8.679 19.149 ( -15.412 2.236 -9.678) 18.335 19.775 ( 2.478 6.295 -3.232) 7.497 21.128 ( 0.651 -1.541 1.123) 2.015 21.282 ( 4.147 -4.528 -0.770) 6.188 25.476 ( -6.698 4.403 -3.264) 8.654 26.175 ( 10.296 17.537 -16.473) 26.170 27.329 ( 6.305 4.327 -0.416) 7.658 27.396 ( 10.423 5.907 -1.559) 12.082 28.441 ( 1.178 0.122 -0.635) 1.344 28.447 ( 1.618 0.667 0.726) 1.895 29.096 ( -0.266 -0.590 0.237) 0.689 29.120 ( 0.525 -0.613 -0.278) 0.854 31.629 ( 0.043 -3.363 -0.076) 3.364 31.642 ( 0.534 -4.395 -1.222) 4.593 32.898 ( -3.269 0.009 1.749) 3.708 32.990 ( 0.259 -4.257 0.180) 4.269 33.280 ( -6.298 2.072 5.932) 8.897 33.410 ( -0.388 -2.378 -4.327) 4.953 33.614 ( 0.471 -4.583 -3.362) 5.703 33.671 ( 1.958 -6.703 2.376) 7.376 34.066 ( -10.831 -12.546 2.334) 16.738 34.294 ( -2.989 -6.946 3.697) 8.417 35.491 ( -3.748 4.779 10.091) 11.777 35.872 ( 6.078 8.440 0.830) 10.434 ======================= Grid point 222 (95/117) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -0.095 -8.316 0.357) 8.324 1.438 ( -3.495 -6.547 -1.825) 7.643 1.616 ( -5.492 -10.216 -9.045) 14.708 1.824 ( 7.064 -6.608 -20.621) 22.777 1.898 ( 8.776 -15.358 2.498) 17.864 2.042 ( 3.898 -3.605 16.331) 17.172 2.236 ( 4.890 -12.650 6.696) 15.125 2.311 ( -1.705 -7.708 4.545) 9.109 2.553 ( 6.718 -14.434 -4.454) 16.532 2.789 ( -4.806 -0.674 10.124) 11.227 2.905 ( -3.158 1.369 -2.550) 4.284 3.094 ( 6.756 -8.654 -3.986) 11.680 3.217 ( -2.976 -0.106 -7.782) 8.333 3.316 ( -3.715 -0.801 1.462) 4.072 3.378 ( 4.360 -4.325 14.775) 16.001 3.471 ( -0.834 6.266 -6.843) 9.316 3.573 ( 1.858 -3.341 -0.594) 3.869 3.715 ( -6.367 1.056 -4.594) 7.922 4.002 ( 0.644 9.740 6.337) 11.638 4.129 ( -2.256 -2.216 -5.506) 6.349 4.222 ( -6.217 -2.329 -6.559) 9.332 4.415 ( 0.358 -1.382 2.062) 2.508 4.457 ( 2.952 -3.723 0.043) 4.751 4.537 ( -0.679 2.941 1.316) 3.292 4.584 ( -3.159 1.061 0.602) 3.387 4.710 ( -1.040 1.580 -2.943) 3.498 4.774 ( 5.191 -0.764 4.358) 6.820 4.860 ( 4.183 1.200 4.538) 6.287 4.951 ( 1.238 0.576 -0.586) 1.485 5.074 ( -1.676 -1.296 3.201) 3.838 5.111 ( 2.613 -2.408 -0.126) 3.556 5.171 ( -0.179 4.393 6.099) 7.519 5.251 ( 1.764 2.409 -1.976) 3.580 5.421 ( -0.841 4.934 0.494) 5.030 5.512 ( -1.086 -1.444 -0.796) 1.974 5.637 ( 2.114 3.306 -0.036) 3.925 5.802 ( 2.435 1.442 -2.330) 3.666 5.849 ( 8.289 3.628 -5.610) 10.647 5.974 ( 2.066 -0.038 3.013) 3.654 6.103 ( -0.677 2.381 1.228) 2.763 6.167 ( -6.739 5.333 -3.397) 9.241 6.290 ( -4.373 6.883 -2.097) 8.420 6.453 ( -0.069 7.558 -1.509) 7.707 6.601 ( -1.112 1.146 2.393) 2.877 6.720 ( 2.213 1.017 4.637) 5.238 6.800 ( -7.110 1.620 -3.472) 8.077 6.886 ( 1.962 6.781 0.453) 7.074 6.965 ( 1.252 3.741 -4.774) 6.193 7.086 ( -1.903 1.400 -1.356) 2.724 7.262 ( 2.869 0.036 5.914) 6.573 7.704 ( 0.409 5.973 1.477) 6.166 7.799 ( 3.879 -2.811 -0.371) 4.805 7.944 ( -2.809 -5.591 -1.277) 6.386 8.121 ( -1.340 5.443 4.149) 6.974 8.352 ( -1.043 -2.622 -0.419) 2.853 8.609 ( -0.520 -3.619 3.611) 5.139 9.485 ( -1.906 -3.806 0.757) 4.323 9.621 ( -1.563 -4.499 -1.764) 5.078 9.870 ( 1.100 1.577 -2.882) 3.464 9.928 ( 1.537 -0.048 1.724) 2.310 10.181 ( -1.711 1.197 -2.660) 3.382 10.300 ( -0.053 1.580 2.264) 2.762 11.050 ( -1.942 -3.040 -2.535) 4.409 11.194 ( 0.718 -3.358 3.038) 4.585 12.405 ( -0.598 -1.955 0.300) 2.066 12.565 ( 1.915 -1.741 -0.484) 2.633 13.411 ( -0.856 1.180 -0.917) 1.722 13.461 ( 0.268 1.205 1.377) 1.849 13.606 ( -4.356 1.238 -3.727) 5.865 13.946 ( 1.970 -0.418 1.142) 2.315 14.442 ( -1.121 0.887 -0.412) 1.488 14.458 ( -4.823 1.294 -2.156) 5.440 14.564 ( -0.779 1.784 1.641) 2.546 14.867 ( -3.215 6.673 -3.325) 8.119 15.238 ( 0.621 0.577 -2.183) 2.341 15.288 ( 0.987 1.048 3.370) 3.665 15.652 ( -3.897 0.650 -0.174) 3.954 15.756 ( -2.406 0.949 -1.953) 3.242 16.266 ( -0.001 0.970 -2.911) 3.068 16.290 ( 1.925 1.199 -0.917) 2.446 16.308 ( 5.126 3.564 2.055) 6.573 16.840 ( 8.955 2.967 4.188) 10.322 17.243 ( -1.168 -0.791 -2.869) 3.197 17.516 ( 4.472 3.637 -1.770) 6.030 19.040 ( -7.349 1.531 -6.037) 9.633 19.656 ( 0.007 6.242 -1.324) 6.381 21.173 ( 0.151 -2.576 2.449) 3.557 21.376 ( 1.912 -3.041 -1.405) 3.857 25.363 ( 0.250 5.382 -0.881) 5.460 25.844 ( 5.059 19.280 -7.877) 21.433 27.257 ( 4.503 6.070 3.620) 8.380 27.327 ( 4.663 5.652 -2.562) 7.762 28.438 ( 0.851 0.704 1.183) 1.618 28.447 ( 0.900 0.119 -0.854) 1.247 29.108 ( -0.239 -0.744 0.215) 0.810 29.133 ( 0.166 -0.456 -0.276) 0.558 31.709 ( 0.174 -4.645 0.422) 4.667 31.736 ( 0.759 -4.632 -2.261) 5.210 32.886 ( -3.435 -0.945 1.811) 3.997 33.078 ( -1.988 -4.664 1.653) 5.333 33.224 ( -0.845 1.390 1.952) 2.541 33.449 ( 1.624 -1.068 -3.217) 3.759 33.738 ( 0.226 -7.934 -3.832) 8.814 33.839 ( 2.088 -9.309 2.701) 9.915 34.278 ( -8.863 -14.633 -2.198) 17.248 34.423 ( -5.221 -8.569 2.774) 10.411 35.365 ( -0.561 6.947 8.577) 11.052 35.710 ( 2.057 10.023 -1.426) 10.330 ======================= Grid point 223 (96/117) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 2.031 -10.526 2.278) 10.960 1.545 ( -2.780 -7.234 3.581) 8.537 1.787 ( -4.797 -8.270 -7.402) 12.091 1.907 ( 9.972 -3.009 -10.213) 14.588 2.150 ( 2.572 -3.099 5.550) 6.857 2.204 ( 6.213 -9.398 2.720) 11.590 2.401 ( 2.554 -6.238 -1.000) 6.814 2.561 ( 0.934 -11.806 5.928) 13.244 2.696 ( -1.716 0.014 -11.532) 11.659 2.875 ( -4.901 -11.015 11.326) 16.542 2.977 ( -1.270 -11.232 4.797) 12.280 3.141 ( -3.286 -2.266 0.245) 3.999 3.183 ( -5.390 6.949 -5.514) 10.379 3.357 ( 3.221 -3.285 -3.442) 5.746 3.435 ( 6.174 -1.234 -7.091) 9.483 3.513 ( 5.923 -3.920 10.709) 12.850 3.646 ( -1.263 -3.626 -2.239) 4.445 3.689 ( -2.208 1.423 -1.287) 2.925 3.875 ( -0.524 1.268 7.299) 7.427 4.144 ( -8.023 -1.180 -4.166) 9.117 4.216 ( -2.062 2.274 -2.592) 4.018 4.434 ( -0.245 1.861 1.777) 2.585 4.458 ( 1.934 1.897 -5.596) 6.217 4.481 ( -1.003 1.790 -8.476) 8.721 4.581 ( 3.258 -0.807 6.979) 7.744 4.687 ( -0.549 -1.192 -1.102) 1.713 4.764 ( 0.991 3.591 4.531) 5.866 4.811 ( 1.324 6.036 6.465) 8.944 4.915 ( 1.825 3.725 -0.669) 4.202 5.072 ( -0.900 0.640 1.835) 2.142 5.109 ( -1.854 -0.250 1.209) 2.227 5.173 ( 4.008 -0.343 -1.670) 4.356 5.217 ( -1.007 -0.083 1.262) 1.617 5.352 ( 4.459 4.163 -2.608) 6.634 5.507 ( -4.418 5.080 -2.120) 7.058 5.585 ( 4.045 -2.840 4.488) 6.676 5.687 ( 2.428 8.662 0.321) 9.001 5.913 ( 3.969 -2.676 -5.914) 7.609 5.983 ( -0.417 -0.455 4.046) 4.093 6.036 ( -2.107 3.814 1.963) 4.779 6.066 ( -3.934 1.641 -0.657) 4.313 6.195 ( 1.542 2.670 -1.278) 3.337 6.295 ( -1.337 8.395 -3.223) 9.091 6.585 ( -1.533 -0.895 2.255) 2.870 6.663 ( -5.798 5.405 -3.677) 8.738 6.724 ( 3.155 3.632 2.539) 5.440 6.838 ( 2.071 -0.679 -0.456) 2.227 6.922 ( -3.132 -1.061 -6.111) 6.948 7.048 ( -2.187 1.449 -2.042) 3.325 7.230 ( 1.640 3.662 7.861) 8.826 7.605 ( 2.791 4.698 0.495) 5.486 7.851 ( 4.846 -0.215 1.424) 5.055 7.988 ( -4.194 0.822 -4.576) 6.261 8.068 ( -1.603 -0.647 2.432) 2.984 8.417 ( 0.309 -4.007 3.876) 5.583 8.648 ( -0.858 -1.167 -0.242) 1.468 9.547 ( -1.440 -3.742 1.168) 4.176 9.685 ( -3.233 -3.690 -2.590) 5.547 9.834 ( 2.125 2.729 -1.021) 3.607 9.927 ( 0.847 0.962 0.715) 1.468 10.148 ( -0.221 1.431 -2.393) 2.797 10.268 ( -0.445 1.559 1.993) 2.570 11.100 ( -0.498 -2.917 -0.936) 3.104 11.261 ( -0.300 -3.211 1.351) 3.497 12.440 ( 0.573 -1.620 0.740) 1.870 12.604 ( 0.538 -1.486 -0.867) 1.802 13.388 ( 0.231 0.913 -0.730) 1.191 13.434 ( -0.110 1.632 1.444) 2.182 13.567 ( -0.323 1.077 -0.917) 1.451 13.954 ( 0.643 0.587 0.683) 1.107 14.386 ( -2.109 2.586 -0.373) 3.357 14.424 ( -0.141 1.172 0.428) 1.256 14.548 ( -0.568 0.010 0.307) 0.645 14.739 ( -4.449 3.820 -3.814) 6.995 15.248 ( 0.593 -1.072 -0.875) 1.505 15.283 ( 0.849 0.193 3.111) 3.230 15.622 ( -2.345 0.377 0.233) 2.387 15.722 ( -1.947 0.894 -1.486) 2.608 16.201 ( -3.973 1.868 -3.823) 5.822 16.281 ( 2.355 1.298 0.541) 2.743 16.316 ( 7.174 1.813 2.882) 7.941 16.815 ( 2.231 3.189 0.113) 3.894 17.265 ( 2.584 -0.754 -0.302) 2.709 17.479 ( 2.539 2.492 -0.609) 3.610 18.987 ( -1.444 1.172 -1.804) 2.591 19.545 ( -2.284 4.469 -1.908) 5.370 21.223 ( 0.714 -2.141 2.727) 3.540 21.423 ( 0.057 -1.506 -1.574) 2.179 25.270 ( 2.019 4.994 0.664) 5.427 25.546 ( 1.455 13.308 -3.611) 13.866 27.175 ( 2.256 4.565 3.886) 6.405 27.245 ( 2.043 4.857 -2.741) 5.940 28.431 ( 0.512 0.497 0.696) 0.997 28.448 ( 0.536 0.226 -0.494) 0.763 29.119 ( -0.152 -0.502 0.179) 0.554 29.139 ( -0.138 -0.163 -0.258) 0.335 31.799 ( 0.451 -4.238 0.408) 4.281 31.820 ( 0.554 -3.679 -1.595) 4.048 32.892 ( -2.120 -1.428 1.429) 2.929 33.109 ( -7.701 -1.697 1.603) 8.047 33.231 ( 6.792 0.189 -0.673) 6.827 33.465 ( 1.380 0.276 -1.537) 2.084 33.902 ( 0.443 -8.564 -2.067) 8.821 34.039 ( 1.228 -9.775 1.923) 10.038 34.482 ( -5.539 -11.067 -2.089) 12.551 34.543 ( -4.570 -6.943 0.059) 8.313 35.238 ( 1.227 6.484 5.683) 8.709 35.542 ( -0.669 7.536 -1.160) 7.654 ======================= Grid point 224 (97/117) ======================= q-point: ( 0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 5.763 -7.544 0.834) 9.530 1.655 ( -3.146 -4.833 4.229) 7.152 1.883 ( -1.011 -6.463 -2.528) 7.013 2.080 ( 5.867 -4.508 -5.933) 9.484 2.132 ( -1.300 1.569 3.054) 3.671 2.347 ( 6.147 0.008 -0.760) 6.194 2.501 ( 6.393 -2.835 -2.457) 7.412 2.696 ( -1.823 -2.710 2.345) 4.021 2.793 ( -8.218 -12.649 -3.115) 15.403 2.921 ( -8.791 2.626 1.190) 9.252 3.138 ( 0.561 -7.274 3.935) 8.289 3.173 ( -1.075 -5.134 0.203) 5.250 3.258 ( 6.603 -5.093 1.334) 8.445 3.385 ( 2.069 4.569 0.962) 5.107 3.412 ( 0.314 -3.202 -4.366) 5.423 3.584 ( 4.765 2.454 -0.992) 5.451 3.642 ( -0.731 1.364 1.843) 2.406 3.738 ( -1.148 -5.295 2.396) 5.924 3.899 ( -0.876 -2.209 3.543) 4.266 4.063 ( -0.640 8.850 0.112) 8.874 4.098 ( -3.794 1.695 -3.780) 5.618 4.308 ( -7.194 5.087 -7.505) 11.574 4.471 ( 1.978 1.276 -2.021) 3.103 4.531 ( -2.227 -4.650 -0.318) 5.165 4.557 ( 4.945 4.096 0.937) 6.490 4.654 ( -0.768 4.121 4.748) 6.334 4.731 ( 0.060 -0.187 1.607) 1.619 4.766 ( -0.298 -2.386 2.272) 3.308 4.881 ( 1.825 1.301 1.524) 2.711 5.043 ( 3.343 3.018 2.293) 5.054 5.101 ( -3.557 0.520 0.423) 3.619 5.162 ( -0.611 2.641 -2.868) 3.946 5.244 ( 2.871 -2.389 0.639) 3.790 5.310 ( 3.869 0.970 -5.126) 6.495 5.447 ( -1.001 0.704 0.973) 1.563 5.523 ( 1.054 8.323 -0.058) 8.389 5.699 ( 1.802 -5.490 2.139) 6.162 5.928 ( -2.300 2.857 6.177) 7.184 5.973 ( -0.555 -1.716 0.374) 1.842 6.018 ( -0.313 -0.511 -6.480) 6.508 6.037 ( -0.505 0.375 4.554) 4.597 6.105 ( 0.840 6.969 -3.054) 7.655 6.189 ( -0.564 1.267 -2.430) 2.798 6.510 ( -5.838 5.159 -4.330) 8.913 6.621 ( -1.337 -1.820 -0.714) 2.369 6.675 ( 3.383 2.209 3.908) 5.621 6.891 ( 1.197 -2.116 -0.335) 2.453 6.971 ( 1.852 -3.908 -3.903) 5.826 7.014 ( -3.107 -0.709 -1.123) 3.379 7.186 ( 0.341 1.901 6.335) 6.623 7.550 ( 3.806 3.524 1.553) 5.414 7.846 ( 0.575 3.730 -0.303) 3.786 7.929 ( -1.495 0.855 -1.010) 1.996 8.065 ( -1.782 0.115 -1.560) 2.371 8.493 ( 1.200 -2.944 4.052) 5.150 8.654 ( -1.363 -0.441 -2.111) 2.551 9.611 ( -0.494 -3.498 1.763) 3.948 9.705 ( -3.116 -0.392 -3.628) 4.799 9.815 ( 2.623 0.426 1.287) 2.953 9.904 ( 0.100 1.627 -0.167) 1.639 10.128 ( 0.885 0.798 -1.344) 1.796 10.239 ( -1.025 0.953 1.042) 1.745 11.148 ( 0.973 -1.772 0.643) 2.122 11.306 ( -1.451 -1.915 -0.426) 2.440 12.471 ( 1.593 -0.776 1.198) 2.139 12.624 ( -0.848 -0.756 -1.175) 1.634 13.377 ( 0.423 0.471 -0.783) 1.007 13.404 ( -0.476 1.192 0.916) 1.577 13.562 ( 3.259 0.557 2.207) 3.975 13.931 ( -2.043 1.135 -1.016) 2.548 14.344 ( 0.098 1.090 0.189) 1.111 14.399 ( 1.099 1.678 1.375) 2.432 14.547 ( -1.718 -0.550 -0.873) 2.004 14.667 ( -4.942 0.614 -4.124) 6.466 15.275 ( 0.601 -1.088 -0.525) 1.349 15.291 ( 1.092 -0.187 2.592) 2.819 15.613 ( -0.300 -0.323 0.649) 0.785 15.702 ( -0.903 0.167 -0.572) 1.082 16.161 ( -1.393 0.514 -1.424) 2.058 16.265 ( 0.016 1.084 -0.564) 1.222 16.322 ( 6.201 1.929 3.423) 7.341 16.756 ( -3.662 2.236 -3.232) 5.371 17.294 ( 3.845 0.024 1.580) 4.157 17.450 ( 0.653 1.601 -0.472) 1.792 18.974 ( 3.073 0.704 1.910) 3.686 19.458 ( -4.774 2.168 -3.561) 6.338 21.263 ( 1.774 -1.128 2.503) 3.268 21.438 ( -1.217 -0.629 -1.609) 2.113 25.203 ( 1.879 3.146 1.141) 3.838 25.358 ( -0.609 6.528 -2.004) 6.855 27.118 ( 1.218 2.542 2.473) 3.750 27.175 ( 0.387 2.886 -1.891) 3.472 28.427 ( 0.386 0.305 0.314) 0.584 28.445 ( 0.104 0.260 -0.238) 0.368 29.126 ( -0.007 -0.245 0.093) 0.262 29.139 ( -0.223 -0.051 -0.142) 0.269 31.867 ( 0.380 -2.389 0.255) 2.433 31.878 ( 0.247 -2.010 -0.744) 2.157 32.914 ( -0.285 -1.515 0.835) 1.753 33.083 ( -5.858 -0.688 0.093) 5.899 33.268 ( 5.790 0.551 -0.236) 5.821 33.457 ( -0.132 0.809 -0.486) 0.953 34.046 ( 1.161 -5.409 0.096) 5.533 34.200 ( -0.797 -6.046 -0.414) 6.112 34.621 ( -1.690 -5.315 0.430) 5.593 34.632 ( -2.859 -5.272 -1.338) 6.145 35.150 ( 2.913 3.917 2.216) 5.361 35.423 ( -2.503 3.658 -0.251) 4.440 ======================= Grid point 225 (98/117) ======================= q-point: (-0.40 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 10.638 -0.245 0.283) 10.645 1.681 ( -2.186 0.092 2.234) 3.127 1.956 ( -6.331 0.721 -3.023) 7.053 1.998 ( -10.605 1.746 -2.582) 11.053 2.237 ( 14.841 -1.995 6.009) 16.135 2.321 ( 6.015 5.391 0.267) 8.082 2.585 ( -2.850 8.770 -0.343) 9.228 2.644 ( 1.012 -6.562 -0.959) 6.709 2.949 ( -7.240 -8.047 -0.337) 10.830 2.956 ( -3.827 -7.287 -0.825) 8.272 3.133 ( 3.624 3.797 -0.117) 5.250 3.229 ( -1.902 1.444 -1.977) 3.100 3.286 ( 1.163 1.907 2.020) 3.011 3.336 ( -0.720 4.147 -1.095) 4.349 3.516 ( 0.862 2.796 0.276) 2.939 3.544 ( 1.854 0.256 1.115) 2.179 3.610 ( 2.661 -1.292 1.288) 3.227 3.770 ( -3.101 1.183 -0.324) 3.335 3.931 ( 2.315 2.114 2.031) 3.735 3.978 ( 1.345 -4.759 -1.430) 5.148 4.084 ( -1.804 -1.786 -0.498) 2.587 4.211 ( -9.921 -2.586 -7.702) 12.823 4.474 ( 5.744 0.395 4.768) 7.475 4.502 ( 2.275 1.461 1.409) 3.049 4.605 ( 7.436 -0.819 2.305) 7.828 4.619 ( -4.697 -0.913 -1.278) 4.953 4.760 ( -3.824 0.912 -1.034) 4.065 4.778 ( 1.375 -1.576 1.612) 2.640 4.877 ( -0.868 0.205 1.025) 1.359 5.014 ( -1.571 -0.112 1.568) 2.222 5.048 ( 3.960 3.646 -0.626) 5.419 5.156 ( 1.592 -1.701 -4.935) 5.458 5.284 ( 3.910 0.818 -0.405) 4.016 5.329 ( -5.808 6.634 5.927) 10.624 5.362 ( -1.340 -4.938 -3.527) 6.215 5.474 ( 1.201 1.064 0.254) 1.624 5.766 ( -1.213 -0.286 -5.834) 5.965 5.865 ( -1.839 1.268 5.921) 6.328 5.988 ( -0.115 -2.448 -0.164) 2.456 6.021 ( -0.602 -1.050 -0.396) 1.273 6.046 ( 1.673 0.528 0.366) 1.792 6.073 ( 5.009 -0.920 3.100) 5.962 6.164 ( -2.096 0.686 -0.875) 2.373 6.414 ( -8.340 -0.340 -7.414) 11.164 6.624 ( 2.337 0.580 1.481) 2.826 6.687 ( 1.368 -0.499 1.983) 2.461 6.910 ( 0.704 0.855 -0.534) 1.229 6.997 ( 0.370 0.817 2.552) 2.706 7.085 ( 1.216 -4.083 -4.063) 5.887 7.156 ( 0.501 1.337 3.247) 3.547 7.519 ( 3.089 1.747 2.239) 4.196 7.761 ( -5.248 2.039 -3.032) 6.395 7.942 ( 2.569 -1.473 2.085) 3.621 8.056 ( -1.861 -0.760 -1.880) 2.753 8.536 ( 2.274 -0.110 0.917) 2.454 8.649 ( -1.916 -0.113 -0.921) 2.128 9.674 ( 0.015 -1.773 0.470) 1.834 9.681 ( -0.168 -0.274 -0.354) 0.478 9.827 ( 1.092 0.603 0.545) 1.362 9.876 ( -0.654 0.648 -0.525) 1.060 10.129 ( 1.697 -0.087 0.549) 1.786 10.221 ( -1.656 -0.032 -0.728) 1.810 11.176 ( 2.201 -0.084 2.084) 3.032 11.312 ( -2.558 -0.012 -2.089) 3.303 12.490 ( 2.483 0.178 1.612) 2.965 12.620 ( -2.157 0.170 -1.445) 2.602 13.373 ( 0.144 0.185 0.199) 0.307 13.390 ( -0.358 -0.050 -0.393) 0.534 13.587 ( 5.988 -0.097 4.696) 7.610 13.895 ( -4.742 0.225 -3.011) 5.622 14.344 ( 1.565 -0.521 1.048) 1.954 14.386 ( 1.244 0.227 0.877) 1.538 14.545 ( -1.849 -0.386 -0.915) 2.099 14.641 ( -4.951 -1.088 -4.149) 6.550 15.290 ( 0.858 0.021 -0.777) 1.158 15.299 ( 0.967 0.308 1.833) 2.095 15.632 ( 2.081 -1.076 0.938) 2.524 15.707 ( 0.293 -0.903 0.314) 1.000 16.158 ( -0.329 -0.593 -0.288) 0.737 16.241 ( -1.845 0.862 -0.964) 2.253 16.327 ( 6.430 1.633 4.526) 8.031 16.688 ( -8.001 0.720 -5.517) 9.745 17.310 ( 3.697 0.816 2.659) 4.627 17.425 ( -1.156 0.863 -0.809) 1.654 19.002 ( 6.798 -0.374 5.087) 8.499 19.402 ( -7.324 -0.432 -5.492) 9.164 21.289 ( 2.977 0.062 2.021) 3.598 21.434 ( -2.221 -0.062 -1.495) 2.678 25.180 ( 1.723 0.455 1.238) 2.170 25.284 ( -1.978 0.424 -1.360) 2.437 27.097 ( 0.907 0.440 0.600) 1.173 27.142 ( -0.713 0.396 -0.488) 0.951 28.424 ( 0.309 0.151 0.033) 0.345 28.441 ( -0.280 0.151 -0.036) 0.320 29.129 ( 0.182 -0.082 -0.060) 0.208 29.139 ( -0.188 -0.087 0.079) 0.222 31.890 ( 0.138 0.217 -0.574) 0.629 31.896 ( -0.133 0.205 0.581) 0.630 32.942 ( 1.633 -0.799 -0.130) 1.823 33.075 ( -4.397 -1.829 0.235) 4.768 33.279 ( 4.859 1.674 0.004) 5.139 33.436 ( -2.015 0.637 -0.161) 2.119 34.107 ( 1.764 0.224 1.853) 2.568 34.240 ( -3.066 0.615 -2.959) 4.305 34.672 ( 0.623 -1.109 -2.156) 2.504 34.698 ( -0.625 -1.939 4.310) 4.767 35.135 ( 5.098 0.216 -1.142) 5.229 35.373 ( -3.853 -0.366 0.132) 3.872 ======================= Grid point 226 (99/117) ======================= q-point: (-0.30 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 15.486 6.787 0.197) 16.909 1.633 ( -3.411 3.441 3.930) 6.239 1.823 ( -5.815 4.652 -7.899) 10.856 1.917 ( -10.794 1.577 -0.298) 10.912 2.184 ( 2.634 9.168 2.095) 9.766 2.340 ( 3.935 8.160 2.296) 9.345 2.406 ( 3.820 2.564 8.221) 9.421 2.688 ( -5.152 2.790 -5.642) 8.134 2.951 ( 5.345 6.636 6.901) 10.965 3.067 ( -2.583 -0.594 -7.016) 7.500 3.117 ( 5.514 -0.494 -2.416) 6.041 3.163 ( -1.101 2.021 2.856) 3.668 3.229 ( -0.767 2.485 -5.211) 5.823 3.272 ( -3.732 -1.968 -0.113) 4.221 3.428 ( 1.260 5.532 3.244) 6.536 3.471 ( -2.327 3.634 1.506) 4.571 3.662 ( -1.226 2.845 -6.357) 7.071 3.692 ( -3.073 1.520 2.169) 4.057 3.966 ( 7.070 -0.995 2.688) 7.629 4.128 ( 1.476 -6.960 -0.478) 7.130 4.147 ( 0.377 -6.900 -0.851) 6.963 4.265 ( -9.777 -7.862 -1.169) 12.600 4.486 ( 4.338 3.569 2.751) 6.255 4.506 ( -0.058 1.618 3.347) 3.718 4.579 ( 0.618 -0.284 1.903) 2.021 4.666 ( -1.201 -1.085 -6.047) 6.260 4.731 ( 0.942 0.842 -1.523) 1.979 4.807 ( -0.049 1.455 -0.231) 1.474 4.839 ( 3.050 -0.158 2.487) 3.938 5.007 ( -7.368 -1.483 -3.796) 8.420 5.078 ( 6.468 -1.592 -1.885) 6.923 5.188 ( 0.848 -1.958 6.795) 7.122 5.235 ( -1.491 0.424 2.006) 2.535 5.305 ( 4.407 -1.349 -3.488) 5.780 5.399 ( -5.595 0.419 -1.659) 5.851 5.478 ( -5.031 -4.863 0.744) 7.037 5.749 ( 6.994 2.316 -3.198) 8.032 5.868 ( -2.556 -0.456 3.246) 4.157 6.022 ( 1.465 -0.226 2.801) 3.169 6.032 ( 1.050 0.966 -3.993) 4.240 6.090 ( 3.345 -5.188 1.982) 6.483 6.124 ( -0.651 -1.587 1.825) 2.505 6.171 ( 0.181 -3.480 5.087) 6.166 6.400 ( -12.615 -4.479 -10.919) 17.275 6.652 ( 3.717 -1.279 3.705) 5.402 6.704 ( 0.914 -0.481 -1.529) 1.845 6.879 ( 3.028 2.381 1.028) 3.987 6.969 ( -1.994 0.814 0.169) 2.161 7.118 ( 3.611 0.941 6.793) 7.750 7.168 ( -0.065 -1.307 -6.350) 6.483 7.535 ( 3.239 -1.506 3.300) 4.863 7.710 ( -8.045 -0.814 -4.707) 9.357 8.011 ( 3.110 -3.133 2.420) 5.034 8.070 ( -1.213 -1.399 -0.940) 2.077 8.528 ( 3.734 2.663 -1.655) 4.876 8.628 ( -3.345 0.840 0.098) 3.451 9.657 ( 2.950 1.839 -0.200) 3.482 9.733 ( -2.695 -2.166 0.586) 3.507 9.804 ( 2.980 1.608 1.864) 3.865 9.875 ( -2.100 -0.943 -1.462) 2.727 10.153 ( 2.397 -1.084 2.314) 3.503 10.221 ( -2.101 -1.180 -2.400) 3.401 11.179 ( 3.031 1.583 3.363) 4.796 11.275 ( -3.306 1.780 -3.477) 5.117 12.496 ( 3.198 1.117 1.817) 3.844 12.591 ( -3.222 1.068 -1.619) 3.760 13.378 ( 0.479 -0.576 1.067) 1.304 13.397 ( -0.726 -0.929 -1.310) 1.762 13.644 ( 8.164 -0.990 6.322) 10.373 13.865 ( -6.699 -0.912 -4.379) 8.055 14.384 ( 2.552 -2.328 1.979) 3.981 14.415 ( 1.658 -2.438 0.216) 2.956 14.538 ( -0.720 0.190 -0.106) 0.753 14.637 ( -6.047 -2.183 -4.646) 7.932 15.284 ( 1.071 1.135 -0.013) 1.561 15.293 ( 0.641 0.772 0.317) 1.052 15.677 ( 4.140 -1.444 1.052) 4.509 15.736 ( 0.778 -1.601 0.750) 1.932 16.167 ( -1.547 -0.551 -0.674) 1.775 16.210 ( -3.331 0.564 -0.879) 3.491 16.353 ( 8.673 0.450 6.382) 10.778 16.627 ( -10.785 -0.687 -6.975) 12.862 17.315 ( 3.605 1.012 3.245) 4.955 17.402 ( -2.832 0.147 -1.297) 3.118 19.078 ( 10.086 -1.848 7.827) 12.900 19.379 ( -9.922 -2.980 -7.418) 12.742 21.299 ( 4.155 1.330 1.459) 4.600 21.410 ( -3.390 0.757 -1.266) 3.697 25.213 ( 2.608 -2.614 1.593) 4.022 25.310 ( -3.934 -4.874 -1.256) 6.388 27.112 ( 0.992 -1.424 -1.222) 2.122 27.149 ( -1.649 -1.782 1.042) 2.642 28.425 ( 0.285 0.001 -0.201) 0.349 28.436 ( -0.542 0.022 0.155) 0.564 29.131 ( 0.373 0.103 -0.198) 0.435 29.139 ( -0.234 -0.019 0.254) 0.346 31.862 ( 0.118 2.624 -1.410) 2.981 31.869 ( -0.507 2.388 1.728) 2.990 32.965 ( 3.769 -0.009 -1.415) 4.026 33.086 ( -5.516 -1.902 1.375) 5.994 33.276 ( 6.120 1.725 -0.386) 6.370 33.409 ( -3.925 0.212 0.237) 3.938 34.061 ( 2.066 5.809 3.163) 6.930 34.145 ( -3.704 6.506 -4.092) 8.532 34.670 ( 2.267 2.295 -4.289) 5.366 34.698 ( 0.239 2.042 7.273) 7.558 35.201 ( 7.008 -3.042 -2.848) 8.153 35.384 ( -5.596 -3.791 0.345) 6.768 ======================= Grid point 227 (100/117) ======================= q-point: (-0.20 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 20.843 9.803 0.502) 23.039 1.499 ( -11.550 6.004 -0.816) 13.043 1.733 ( -1.939 3.372 7.477) 8.428 1.784 ( -9.578 5.190 -6.360) 12.615 2.061 ( 6.933 5.335 -3.770) 9.525 2.152 ( -6.027 6.325 0.606) 8.757 2.343 ( 8.037 12.091 15.008) 20.881 2.467 ( -8.217 14.548 -10.563) 19.768 2.876 ( 9.123 5.348 7.540) 12.988 2.960 ( -2.550 4.864 -5.488) 7.764 3.063 ( 5.772 9.430 -11.078) 15.652 3.130 ( -5.161 6.024 10.093) 12.837 3.223 ( -0.416 4.212 2.854) 5.105 3.270 ( -6.328 2.232 -6.560) 9.384 3.377 ( 3.560 -1.353 -2.790) 4.721 3.409 ( -0.491 -2.505 3.165) 4.066 3.616 ( 3.007 -1.511 3.190) 4.637 3.695 ( -7.481 -5.490 -4.611) 10.362 3.981 ( 11.869 5.463 1.028) 13.106 4.121 ( -9.484 4.554 1.449) 10.620 4.315 ( 3.391 -5.575 2.327) 6.928 4.364 ( -4.335 -5.813 -2.067) 7.540 4.474 ( 1.938 -2.534 5.007) 5.937 4.493 ( 0.298 -3.534 -4.515) 5.741 4.620 ( 5.452 1.102 4.356) 7.065 4.686 ( -3.398 -1.981 -5.246) 6.557 4.700 ( -0.353 1.265 2.417) 2.750 4.729 ( -3.149 1.858 -3.570) 5.110 4.926 ( 3.213 -3.157 -1.584) 4.775 4.987 ( -6.296 -1.624 1.304) 6.631 5.139 ( 5.898 -0.600 -3.476) 6.872 5.202 ( -3.588 1.499 4.353) 5.837 5.296 ( 6.042 -3.938 2.527) 7.642 5.376 ( -3.317 -4.320 -4.271) 6.921 5.408 ( 4.837 -3.516 0.014) 5.980 5.525 ( -9.996 -4.933 0.980) 11.190 5.740 ( 6.970 3.575 -3.069) 8.413 5.808 ( -4.809 3.690 4.192) 7.370 6.014 ( 3.876 1.267 -0.847) 4.165 6.058 ( -2.116 -0.966 -0.421) 2.364 6.193 ( 4.348 -6.174 1.305) 7.664 6.237 ( 1.775 -7.999 0.741) 8.227 6.278 ( 3.137 -6.281 8.396) 10.945 6.410 ( -12.450 -5.394 -9.931) 16.815 6.692 ( 1.263 -0.898 3.704) 4.015 6.706 ( -0.519 -0.249 -4.244) 4.283 6.908 ( 5.154 -2.007 2.178) 5.945 6.962 ( -3.008 -1.494 -1.282) 3.595 7.137 ( 3.554 -0.243 9.129) 9.799 7.176 ( -1.875 -0.814 -8.611) 8.850 7.617 ( 4.104 -4.351 2.782) 6.597 7.690 ( -6.773 -2.579 -3.288) 7.959 8.065 ( 1.580 0.162 3.370) 3.725 8.079 ( -0.396 -0.104 -2.989) 3.017 8.493 ( 5.842 3.591 -0.192) 6.860 8.570 ( -5.990 2.130 -1.632) 6.563 9.637 ( 4.831 3.077 0.650) 5.764 9.693 ( -3.590 3.090 -0.680) 4.785 9.839 ( 2.669 -1.810 3.795) 4.980 9.877 ( -2.785 -1.013 -2.935) 4.171 10.201 ( 2.962 -2.003 3.054) 4.702 10.238 ( -2.395 -2.067 -3.054) 4.397 11.159 ( 3.400 2.694 4.434) 6.203 11.206 ( -3.514 2.860 -4.513) 6.395 12.489 ( 3.770 1.850 1.758) 4.553 12.540 ( -3.935 1.781 -1.643) 4.621 13.402 ( 0.930 -1.454 1.195) 2.099 13.415 ( -0.969 -1.554 -1.299) 2.246 13.727 ( 9.256 -1.675 6.403) 11.378 13.840 ( -7.724 -1.379 -4.767) 9.181 14.455 ( 3.167 -2.433 2.406) 4.662 14.494 ( -1.787 -3.755 -2.420) 4.811 14.547 ( 6.572 -1.732 4.246) 8.014 14.654 ( -8.581 -4.994 -5.434) 11.318 15.266 ( 1.295 1.268 1.322) 2.243 15.278 ( -0.309 0.846 -1.236) 1.529 15.734 ( 4.865 -1.364 0.907) 5.134 15.770 ( -0.352 -1.569 0.554) 1.701 16.157 ( -1.624 0.324 -1.087) 1.981 16.177 ( -4.167 0.434 -0.452) 4.214 16.427 ( 10.897 -1.374 7.721) 13.425 16.576 ( -11.913 -1.650 -7.715) 14.289 17.326 ( 4.368 0.305 3.121) 5.377 17.383 ( -4.475 -0.609 -1.650) 4.808 19.207 ( 13.437 -3.707 9.993) 17.151 19.383 ( -12.858 -5.093 -9.093) 16.552 21.290 ( 5.227 2.645 0.878) 5.923 21.357 ( -4.902 2.188 -0.901) 5.443 25.322 ( 5.914 -6.341 2.421) 9.003 25.412 ( -7.662 -9.314 -1.592) 12.166 27.160 ( 1.469 -2.693 -2.561) 3.996 27.184 ( -2.551 -3.009 2.311) 4.572 28.428 ( 0.303 -0.089 -0.473) 0.569 28.433 ( -0.594 -0.026 0.417) 0.727 29.129 ( 0.540 0.412 -0.271) 0.731 29.135 ( -0.436 0.307 0.306) 0.615 31.797 ( 0.428 4.117 -1.633) 4.449 31.803 ( -0.768 3.952 2.020) 4.505 32.988 ( 5.423 0.712 -1.912) 5.794 33.061 ( -6.346 0.669 1.647) 6.590 33.302 ( 7.025 -0.194 -1.528) 7.192 33.380 ( -5.463 -0.301 1.539) 5.684 33.928 ( 2.139 9.058 4.043) 10.147 33.964 ( -3.146 9.424 -4.334) 10.840 34.605 ( 3.302 6.282 -3.974) 8.134 34.625 ( -0.128 5.904 5.578) 8.123 35.332 ( 8.629 -5.665 -3.598) 10.931 35.441 ( -8.266 -6.476 1.439) 10.599 ======================= Grid point 228 (101/117) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -16.379 10.065 -8.251) 20.921 1.228 ( 16.379 10.065 8.251) 20.921 1.660 ( 3.706 3.386 -14.774) 15.603 1.660 ( -3.706 3.386 14.774) 15.603 1.994 ( -6.294 14.306 -10.735) 18.961 1.994 ( 6.294 14.306 10.735) 18.961 2.122 ( 5.168 8.245 -4.170) 10.587 2.122 ( -5.168 8.245 4.170) 10.587 2.757 ( -14.518 17.038 -14.961) 26.924 2.757 ( 14.518 17.038 14.961) 26.924 2.932 ( 1.931 1.819 -11.962) 12.253 2.932 ( -1.931 1.819 11.962) 12.253 3.174 ( -0.932 2.540 -6.181) 6.747 3.174 ( 0.932 2.540 6.181) 6.747 3.466 ( 1.971 -3.558 -6.595) 7.748 3.466 ( -1.971 -3.558 6.595) 7.748 3.789 ( -12.365 -9.262 -6.569) 16.788 3.789 ( 12.365 -9.262 6.569) 16.788 3.982 ( -10.840 0.127 0.991) 10.885 3.982 ( 10.840 0.127 -0.991) 10.885 4.381 ( 2.187 1.188 -1.324) 2.819 4.381 ( -2.187 1.188 1.324) 2.819 4.517 ( -7.188 3.095 -6.805) 10.371 4.517 ( 7.188 3.095 6.805) 10.371 4.629 ( -0.105 -1.557 -4.371) 4.641 4.629 ( 0.105 -1.557 4.371) 4.641 4.774 ( -3.399 -4.520 -4.780) 7.404 4.774 ( 3.399 -4.520 4.780) 7.404 4.951 ( 4.346 2.554 -5.671) 7.588 4.951 ( -4.346 2.554 5.671) 7.588 5.184 ( 1.141 -0.972 -5.762) 5.954 5.184 ( -1.141 -0.972 5.762) 5.954 5.348 ( -2.654 2.051 -5.547) 6.482 5.348 ( 2.654 2.051 5.547) 6.482 5.578 ( -7.074 -5.860 2.086) 9.420 5.578 ( 7.074 -5.860 -2.086) 9.420 5.724 ( 3.830 0.188 -6.076) 7.185 5.724 ( -3.830 0.188 6.076) 7.185 6.024 ( -3.183 0.784 -1.923) 3.800 6.024 ( 3.183 0.784 1.923) 3.800 6.403 ( -5.140 -10.626 -3.992) 12.461 6.403 ( 5.140 -10.626 3.992) 12.461 6.449 ( -8.114 -6.315 -8.775) 13.517 6.449 ( 8.114 -6.315 8.775) 13.517 6.723 ( 1.982 -1.754 -3.985) 4.784 6.723 ( -1.982 -1.754 3.985) 4.784 6.965 ( -3.336 -0.755 -3.383) 4.811 6.965 ( 3.336 -0.755 3.383) 4.811 7.167 ( -3.198 0.248 -8.418) 9.009 7.167 ( 3.198 0.248 8.418) 9.009 7.716 ( 1.088 -1.204 -3.587) 3.937 7.716 ( -1.088 -1.204 3.587) 3.937 8.062 ( -4.349 -0.837 -6.574) 7.927 8.062 ( 4.349 -0.837 6.574) 7.927 8.482 ( -7.084 2.039 -4.664) 8.723 8.482 ( 7.084 2.039 4.664) 8.723 9.588 ( -4.411 5.214 0.089) 6.830 9.588 ( 4.411 5.214 -0.089) 6.830 9.880 ( -1.535 -0.737 -3.796) 4.160 9.880 ( 1.535 -0.737 3.796) 4.160 10.261 ( -2.717 -1.924 -3.369) 4.736 10.261 ( 2.717 -1.924 3.369) 4.736 11.126 ( -3.280 2.876 -5.138) 6.740 11.126 ( 3.280 2.876 5.138) 6.740 12.476 ( -4.156 2.007 -1.534) 4.864 12.476 ( 4.156 2.007 1.534) 4.864 13.441 ( -0.923 -1.723 -1.085) 2.235 13.441 ( 0.923 -1.723 1.085) 2.235 13.817 ( -8.114 -1.552 -4.461) 9.388 13.817 ( 8.114 -1.552 4.461) 9.388 14.499 ( -2.398 -0.233 -1.663) 2.927 14.499 ( 2.398 -0.233 1.663) 2.927 14.728 ( -11.303 -8.871 -4.535) 15.067 14.728 ( 11.303 -8.871 4.535) 15.067 15.261 ( -1.354 0.105 -2.712) 3.033 15.261 ( 1.354 0.105 2.712) 3.033 15.783 ( -2.913 -0.815 -0.723) 3.110 15.783 ( 2.913 -0.815 0.723) 3.110 16.146 ( -0.308 0.469 -0.442) 0.714 16.146 ( 0.308 0.469 0.442) 0.714 16.538 ( -11.472 -2.329 -8.035) 14.199 16.538 ( 11.472 -2.329 8.035) 14.199 17.369 ( -6.041 -1.407 -1.832) 6.468 17.369 ( 6.041 -1.407 1.832) 6.468 19.400 ( -16.760 -6.443 -9.968) 20.537 19.400 ( 16.760 -6.443 9.968) 20.537 21.263 ( -5.048 3.936 -1.022) 6.482 21.263 ( 5.048 3.936 1.022) 6.482 25.553 ( -13.822 -11.882 -1.945) 18.331 25.553 ( 13.822 -11.882 1.945) 18.331 27.227 ( 2.335 -2.990 -3.261) 5.003 27.227 ( -2.335 -2.990 3.261) 5.003 28.431 ( 0.351 -0.023 -0.848) 0.918 28.431 ( -0.351 -0.023 0.848) 0.918 29.122 ( 0.265 0.716 -0.328) 0.831 29.122 ( -0.265 0.716 0.328) 0.831 31.716 ( 0.532 4.576 -2.888) 5.438 31.716 ( -0.532 4.576 2.888) 5.438 32.996 ( -0.386 2.044 -2.869) 3.544 32.996 ( 0.386 2.044 2.869) 3.544 33.358 ( 2.020 -1.155 -8.614) 8.922 33.358 ( -2.020 -1.155 8.614) 8.922 33.766 ( -2.042 8.773 -4.594) 10.111 33.766 ( 2.042 8.773 4.594) 10.111 34.467 ( -0.517 9.962 -8.842) 13.330 34.467 ( 0.517 9.962 8.842) 13.330 35.521 ( 0.135 -7.681 -4.005) 8.664 35.521 ( -0.135 -7.681 4.005) 8.664 ======================= Grid point 232 (102/117) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 7.754 0.000 -12.998) 15.135 1.142 ( 5.011 0.000 -3.758) 6.263 1.278 ( 8.845 0.000 8.446) 12.230 1.356 ( 9.156 0.000 -23.330) 25.063 1.649 ( 0.947 0.000 24.043) 24.062 1.966 ( 0.751 0.000 12.207) 12.230 1.973 ( 5.757 0.000 -15.327) 16.372 2.017 ( -2.357 -0.000 -5.267) 5.770 2.386 ( 11.270 0.000 0.461) 11.279 2.788 ( 9.195 0.000 4.016) 10.033 2.929 ( 7.048 0.000 4.452) 8.336 3.025 ( -5.126 -0.000 -7.966) 9.473 3.135 ( 5.807 0.000 17.780) 18.704 3.229 ( -3.373 -0.000 15.165) 15.536 3.284 ( -8.086 -0.000 -9.428) 12.421 3.624 ( -17.863 -0.000 -9.312) 20.144 3.680 ( 4.132 0.000 -4.247) 5.926 3.878 ( -10.254 -0.000 -11.436) 15.360 4.050 ( -3.690 -0.000 -4.272) 5.645 4.081 ( -2.954 -0.000 0.169) 2.959 4.230 ( 0.915 0.000 -2.044) 2.239 4.333 ( -5.851 -0.000 1.308) 5.995 4.457 ( 0.975 0.000 3.992) 4.109 4.475 ( 1.853 0.000 0.959) 2.086 4.674 ( -3.045 -0.000 0.885) 3.172 4.674 ( -1.994 -0.000 2.139) 2.924 4.766 ( 10.988 0.000 3.288) 11.469 4.799 ( 4.570 0.000 5.992) 7.536 4.957 ( 3.519 0.000 3.094) 4.686 5.065 ( 3.817 0.000 5.635) 6.806 5.073 ( 1.112 0.000 -6.556) 6.650 5.120 ( 4.267 0.000 5.278) 6.788 5.330 ( 1.227 0.000 9.940) 10.015 5.461 ( -0.246 -0.000 -5.118) 5.124 5.643 ( -5.142 -0.000 -2.624) 5.773 5.673 ( 7.822 0.000 -5.159) 9.370 5.732 ( 3.570 0.000 -5.836) 6.841 5.913 ( 2.972 0.000 -6.512) 7.158 6.027 ( 2.196 0.000 9.631) 9.879 6.273 ( -8.386 -0.000 -1.120) 8.461 6.289 ( 6.424 0.000 -4.255) 7.705 6.495 ( -8.017 -0.000 0.643) 8.042 6.586 ( -5.207 -0.000 -0.735) 5.258 6.651 ( -1.483 -0.000 -1.113) 1.854 6.767 ( -5.577 -0.000 -0.203) 5.581 6.847 ( -2.065 -0.000 2.654) 3.363 6.959 ( -3.020 -0.000 -2.567) 3.964 7.064 ( 0.974 0.000 0.878) 1.312 7.118 ( 0.297 0.000 2.148) 2.168 7.407 ( 17.303 0.000 15.336) 23.121 7.576 ( 3.287 0.000 6.964) 7.701 7.617 ( 6.660 0.000 -5.333) 8.532 8.164 ( -15.056 -0.000 -3.786) 15.525 8.254 ( -0.374 -0.000 3.868) 3.886 8.307 ( 1.278 0.000 -3.496) 3.722 8.400 ( -5.993 -0.000 1.059) 6.086 9.418 ( 0.689 0.000 -1.583) 1.726 9.480 ( 2.649 0.000 2.292) 3.502 9.884 ( 1.271 0.000 -3.485) 3.709 9.912 ( 1.535 0.000 2.141) 2.634 10.202 ( -2.232 -0.000 -1.706) 2.809 10.330 ( -0.117 -0.000 1.293) 1.299 10.977 ( -2.789 -0.000 -3.016) 4.108 11.116 ( 0.187 0.000 3.644) 3.649 12.358 ( -0.470 -0.000 0.798) 0.927 12.523 ( 2.261 0.000 -0.893) 2.431 13.442 ( -2.743 -0.000 -1.529) 3.140 13.469 ( -0.692 -0.000 -0.709) 0.991 13.633 ( -4.245 -0.000 -3.372) 5.421 13.924 ( 0.574 0.000 -0.543) 0.790 14.452 ( -3.064 -0.000 -1.873) 3.592 14.469 ( -1.013 -0.000 -0.284) 1.052 14.624 ( -5.229 -0.000 0.499) 5.252 15.035 ( -7.465 -0.000 -6.881) 10.153 15.290 ( 0.269 0.000 -2.494) 2.509 15.326 ( 0.837 0.000 1.723) 1.915 15.673 ( -3.230 -0.000 0.446) 3.261 15.774 ( -2.140 -0.000 -2.078) 2.983 16.281 ( 3.915 0.000 -1.878) 4.342 16.329 ( 5.704 0.000 3.584) 6.737 16.415 ( 0.242 0.000 -2.263) 2.276 16.909 ( 11.078 0.000 5.043) 12.172 17.230 ( -2.867 -0.000 -2.872) 4.058 17.631 ( 4.670 0.000 -6.397) 7.921 19.079 ( -11.608 -0.000 -7.887) 14.034 19.818 ( -6.540 -0.000 -8.496) 10.722 21.143 ( 3.926 0.000 -0.457) 3.953 21.246 ( 3.264 0.000 -0.214) 3.271 25.493 ( -0.709 -0.000 -1.789) 1.924 26.370 ( -1.312 -0.000 -22.598) 22.636 27.410 ( 6.886 0.000 -2.941) 7.488 27.579 ( 15.132 0.000 -7.580) 16.924 28.450 ( 1.465 0.000 -1.493) 2.092 28.478 ( 3.517 0.000 0.422) 3.542 29.092 ( 0.473 0.000 -0.140) 0.493 29.116 ( 0.388 0.000 -0.128) 0.408 31.589 ( 0.062 0.000 0.433) 0.437 31.598 ( 0.187 0.000 -0.381) 0.424 32.899 ( -2.024 -0.000 2.822) 3.473 32.919 ( -3.083 -0.000 0.074) 3.084 33.270 ( -7.334 -0.000 4.781) 8.755 33.345 ( -3.218 -0.000 -0.192) 3.224 33.580 ( 0.404 0.000 -1.430) 1.486 33.593 ( 0.624 0.000 2.770) 2.840 33.897 ( -4.101 -0.000 3.841) 5.619 34.205 ( -3.775 -0.000 3.789) 5.349 35.531 ( -0.301 -0.000 11.636) 11.640 35.986 ( 1.248 0.000 1.395) 1.872 ======================= Grid point 233 (103/117) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 21.387 5.891 -2.326) 22.305 1.247 ( -1.272 -8.949 -10.226) 13.648 1.428 ( 3.326 -7.658 -8.273) 11.754 1.660 ( 12.628 -15.864 1.617) 20.341 1.711 ( 4.849 -6.398 9.576) 12.496 1.961 ( 3.993 -3.195 -0.437) 5.132 2.056 ( -4.143 -11.041 -0.942) 11.831 2.215 ( 6.790 -6.638 1.500) 9.613 2.354 ( 0.065 -0.720 8.341) 8.372 2.903 ( 2.893 7.615 10.185) 13.042 2.941 ( 5.174 0.613 -15.150) 16.021 2.961 ( 0.251 -7.058 1.037) 7.138 3.202 ( -3.380 -1.392 6.284) 7.270 3.232 ( -7.019 -2.026 -4.150) 8.402 3.273 ( -2.308 -5.113 8.066) 9.825 3.504 ( -5.883 0.582 -4.005) 7.140 3.657 ( 5.630 4.520 -3.443) 7.999 3.724 ( -8.726 5.178 -8.650) 13.334 4.037 ( -4.078 -1.102 -2.067) 4.703 4.107 ( -4.578 0.386 -4.045) 6.121 4.239 ( 0.723 2.153 -0.889) 2.439 4.332 ( -3.488 -4.743 6.316) 8.634 4.448 ( 2.423 1.182 1.037) 2.889 4.516 ( -1.986 -3.320 0.860) 3.963 4.595 ( -0.959 3.037 -1.017) 3.343 4.673 ( -2.770 -1.636 0.537) 3.261 4.823 ( 7.995 0.613 6.013) 10.022 4.871 ( 3.231 -2.658 1.463) 4.432 4.973 ( 2.262 1.270 -3.607) 4.443 5.052 ( 1.485 0.080 10.331) 10.437 5.127 ( 7.522 -0.968 3.724) 8.449 5.228 ( 1.912 -4.378 2.760) 5.517 5.290 ( 2.191 4.270 4.071) 6.293 5.455 ( -0.338 0.126 -3.314) 3.334 5.551 ( -6.858 4.917 -1.877) 8.645 5.698 ( 6.435 1.370 -4.436) 7.935 5.791 ( 5.988 -2.112 -5.564) 8.443 5.959 ( 5.049 -1.406 -6.556) 8.394 6.006 ( 3.129 3.395 8.049) 9.279 6.175 ( -1.490 4.962 -0.193) 5.185 6.262 ( -3.706 7.167 -2.005) 8.314 6.358 ( -5.952 4.262 -4.261) 8.471 6.572 ( -3.411 3.830 0.267) 5.136 6.603 ( -1.540 0.648 2.208) 2.769 6.725 ( -9.856 -1.532 -2.782) 10.355 6.799 ( 2.737 4.893 5.006) 7.516 6.896 ( -5.808 0.766 -5.829) 8.264 7.103 ( 1.243 1.999 2.914) 3.746 7.174 ( 2.412 -4.125 0.406) 4.796 7.292 ( 6.572 12.192 4.689) 14.622 7.687 ( 4.569 -6.906 5.635) 10.016 7.766 ( 4.025 -5.004 2.563) 6.915 7.924 ( -5.527 7.542 -3.035) 9.831 8.251 ( -4.143 7.500 1.175) 8.648 8.315 ( 1.187 -1.262 -3.184) 3.625 8.455 ( -6.075 -9.915 2.755) 11.950 9.433 ( 0.990 -1.403 0.518) 1.794 9.534 ( -0.287 -3.481 -0.348) 3.510 9.891 ( 1.422 0.196 -2.935) 3.267 9.931 ( 1.541 -0.616 1.519) 2.250 10.189 ( -0.450 0.499 -1.443) 1.592 10.321 ( -0.750 0.770 1.159) 1.580 10.984 ( -1.780 -2.287 -1.644) 3.332 11.137 ( -1.148 -2.343 2.413) 3.553 12.374 ( 0.980 -1.308 1.603) 2.289 12.545 ( 0.982 -1.139 -1.627) 2.216 13.422 ( -0.889 0.569 -0.660) 1.245 13.469 ( -0.823 -0.161 -0.052) 0.841 13.612 ( -0.037 0.854 -0.301) 0.906 13.935 ( -0.006 -0.965 -0.356) 1.029 14.436 ( -1.759 -0.007 -1.376) 2.233 14.459 ( -1.183 0.633 -0.159) 1.351 14.585 ( -2.391 1.336 1.488) 3.117 14.933 ( -9.347 4.299 -7.879) 12.959 15.271 ( 1.181 1.746 -2.367) 3.169 15.320 ( 0.684 1.144 2.343) 2.695 15.648 ( -2.292 0.775 0.900) 2.581 15.754 ( -2.634 0.502 -2.348) 3.564 16.277 ( -1.428 1.275 -5.700) 6.013 16.341 ( 3.171 1.515 2.400) 4.256 16.410 ( 7.217 2.495 3.716) 8.492 16.935 ( 3.165 2.238 -0.088) 3.878 17.239 ( 4.776 -0.412 0.684) 4.842 17.613 ( 2.892 3.497 -4.593) 6.457 19.020 ( -4.272 0.456 -3.973) 5.852 19.724 ( -8.993 3.496 -7.842) 12.433 21.159 ( 3.512 -0.080 2.206) 4.148 21.315 ( 1.292 -3.927 -2.033) 4.607 25.470 ( 4.886 3.810 1.115) 6.295 26.194 ( -4.017 14.149 -18.061) 23.293 27.410 ( 6.534 4.474 -2.223) 8.225 27.527 ( 9.029 10.695 -2.184) 14.166 28.457 ( 1.381 0.226 -1.318) 1.922 28.472 ( 2.109 1.889 1.263) 3.101 29.097 ( 0.416 -0.298 -0.019) 0.512 29.125 ( 0.191 -0.519 -0.184) 0.583 31.631 ( 0.239 -3.324 -0.310) 3.347 31.646 ( 0.201 -4.672 -1.120) 4.809 32.860 ( -2.765 0.381 1.926) 3.391 32.968 ( -3.784 -4.677 2.492) 6.512 33.229 ( -1.799 -0.059 3.853) 4.253 33.391 ( -2.101 -4.693 -3.018) 5.962 33.621 ( 0.770 -4.395 -3.223) 5.505 33.682 ( -0.545 -7.561 2.087) 7.863 33.977 ( -3.086 -9.761 1.517) 10.349 34.240 ( -5.636 -6.131 4.473) 9.453 35.493 ( 2.330 4.848 11.105) 12.339 35.895 ( -1.893 8.118 -1.865) 8.542 ======================= Grid point 234 (104/117) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 17.571 -0.755 1.326) 17.637 1.393 ( -2.906 -6.627 -1.090) 7.318 1.581 ( 2.068 -9.628 -6.965) 12.062 1.916 ( 9.578 -4.686 -16.582) 19.714 2.004 ( 6.068 -14.301 2.799) 15.785 2.094 ( 1.750 -7.376 13.093) 15.130 2.184 ( -6.008 -6.239 -1.157) 8.738 2.368 ( 3.186 -11.701 7.550) 14.285 2.591 ( -1.883 -14.709 6.921) 16.364 2.795 ( 2.884 1.618 4.530) 5.609 2.884 ( 2.965 5.117 -2.313) 6.351 3.055 ( -9.117 -2.330 2.258) 9.677 3.220 ( -0.094 -8.694 -14.113) 16.576 3.254 ( -2.954 1.239 -3.249) 4.562 3.396 ( -0.323 -5.481 7.608) 9.382 3.496 ( 4.265 -0.946 -2.356) 4.963 3.630 ( 3.042 1.097 0.195) 3.240 3.665 ( -1.542 -2.130 -4.624) 5.319 3.965 ( -6.121 7.051 4.880) 10.536 4.029 ( -9.285 -1.088 -3.731) 10.065 4.210 ( 2.102 -0.164 -4.598) 5.059 4.429 ( 1.390 -2.885 2.258) 3.918 4.472 ( -1.106 -2.565 -3.559) 4.525 4.542 ( -0.035 0.596 2.663) 2.729 4.548 ( -1.040 0.384 0.957) 1.465 4.687 ( -2.253 -0.300 -2.129) 3.115 4.831 ( 3.554 2.596 4.137) 6.040 4.933 ( 4.358 -1.338 5.986) 7.525 4.941 ( 1.523 3.719 -2.657) 4.818 5.042 ( -2.605 1.833 6.952) 7.647 5.175 ( 5.251 0.969 1.237) 5.481 5.217 ( 6.018 3.145 4.809) 8.321 5.265 ( -0.352 3.897 -3.387) 5.175 5.432 ( 2.851 2.030 0.933) 3.622 5.466 ( -4.202 -1.906 -1.300) 4.794 5.695 ( 5.558 4.212 0.476) 6.990 5.833 ( 2.786 2.251 -1.523) 3.892 5.933 ( 5.281 4.280 -5.494) 8.740 5.988 ( -0.533 1.606 -1.700) 2.398 6.080 ( -3.777 4.000 4.471) 7.089 6.103 ( -1.359 3.538 -1.387) 4.036 6.257 ( -1.572 3.674 -2.070) 4.500 6.446 ( -0.500 7.348 0.076) 7.365 6.567 ( -4.113 1.148 2.386) 4.892 6.687 ( -8.122 0.135 -3.189) 8.727 6.773 ( 4.307 0.182 2.606) 5.038 6.818 ( -8.393 2.815 -4.416) 9.893 7.038 ( 1.637 8.950 -4.198) 10.020 7.069 ( 3.652 3.638 0.965) 5.244 7.288 ( 0.295 -0.371 4.828) 4.851 7.719 ( 2.138 5.168 1.820) 5.882 7.843 ( 2.853 -4.367 -0.260) 5.223 7.926 ( -0.165 -3.633 0.098) 3.638 8.085 ( -4.405 5.022 2.223) 7.040 8.363 ( 2.360 -2.691 0.865) 3.682 8.572 ( -4.875 -5.560 -0.022) 7.395 9.480 ( 0.720 -2.767 1.950) 3.461 9.593 ( -2.441 -3.657 -2.217) 4.924 9.886 ( 1.678 1.378 -1.780) 2.807 9.943 ( 0.696 0.228 0.827) 1.105 10.174 ( 0.791 1.116 -1.822) 2.278 10.292 ( -1.395 1.451 1.282) 2.386 11.035 ( -0.063 -3.503 -0.166) 3.507 11.186 ( -2.149 -3.643 0.760) 4.297 12.416 ( 2.151 -1.804 2.101) 3.507 12.573 ( -0.418 -1.610 -2.095) 2.675 13.408 ( 0.476 0.823 -0.214) 0.974 13.457 ( -1.023 0.881 0.619) 1.485 13.602 ( 3.698 1.313 2.495) 4.650 13.951 ( -1.329 -0.705 -0.494) 1.584 14.417 ( -1.519 1.564 0.002) 2.180 14.439 ( 0.641 0.482 0.689) 1.057 14.551 ( -1.503 0.981 0.730) 1.937 14.776 ( -9.663 4.853 -8.194) 13.567 15.252 ( 1.664 0.858 -1.541) 2.424 15.302 ( 0.573 0.987 2.922) 3.137 15.622 ( -1.084 0.729 1.226) 1.792 15.723 ( -2.710 0.733 -2.325) 3.645 16.226 ( -1.038 2.468 -3.969) 4.787 16.323 ( 1.224 1.793 0.636) 2.262 16.414 ( 8.680 2.677 5.193) 10.463 16.876 ( -3.450 3.282 -4.416) 6.494 17.290 ( 8.238 -0.075 3.190) 8.835 17.554 ( 1.632 3.698 -2.362) 4.682 19.005 ( 1.982 0.511 0.493) 2.105 19.591 ( -9.261 3.856 -7.047) 12.260 21.199 ( 3.284 -1.577 4.041) 5.441 21.380 ( -0.891 -2.674 -2.804) 3.976 25.407 ( 6.197 6.348 2.925) 9.341 25.846 ( -3.313 17.347 -10.558) 20.576 27.322 ( 5.035 7.878 2.459) 9.667 27.379 ( 3.587 7.896 -1.694) 8.836 28.451 ( 1.013 1.193 1.347) 2.065 28.458 ( 0.820 0.367 -0.998) 1.342 29.108 ( 0.236 -0.572 0.152) 0.637 29.133 ( -0.187 -0.333 -0.211) 0.436 31.714 ( 0.529 -4.757 0.014) 4.787 31.741 ( 0.176 -4.768 -1.719) 5.072 32.856 ( -1.537 -1.109 1.332) 2.317 33.015 ( -6.738 -3.212 2.889) 8.005 33.259 ( 4.726 -1.491 0.590) 4.991 33.454 ( -0.541 -2.289 -2.573) 3.486 33.743 ( 0.945 -7.776 -3.263) 8.486 33.848 ( -1.104 -9.976 1.077) 10.094 34.195 ( -3.638 -14.000 -0.618) 14.478 34.354 ( -5.889 -8.908 3.004) 11.093 35.394 ( 3.751 7.419 8.546) 11.922 35.699 ( -3.254 9.680 -3.338) 10.744 ======================= Grid point 235 (105/117) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 12.475 -7.010 0.787) 14.331 1.491 ( -6.094 -7.340 4.825) 10.691 1.783 ( 4.784 -6.865 -4.475) 9.489 2.019 ( 7.828 -4.481 -13.161) 15.955 2.162 ( -1.747 1.721 8.330) 8.683 2.263 ( 5.007 -9.320 0.833) 10.613 2.370 ( -6.317 -14.732 -0.168) 16.030 2.528 ( -6.975 -9.191 0.940) 11.576 2.745 ( 9.018 7.766 -2.013) 12.070 2.860 ( 0.918 -12.033 9.394) 15.293 2.965 ( -2.223 -6.402 3.383) 7.575 3.090 ( -8.151 1.947 -8.780) 12.138 3.135 ( 4.633 -9.254 1.866) 10.516 3.417 ( 5.759 0.361 0.173) 5.772 3.484 ( 0.562 -4.366 -6.743) 8.052 3.558 ( 0.407 -2.674 8.362) 8.789 3.618 ( 0.162 -0.750 -5.483) 5.536 3.693 ( 0.415 0.558 -0.386) 0.795 3.844 ( -4.343 -0.430 6.955) 8.211 4.019 ( -10.508 -4.059 -4.158) 12.008 4.216 ( 2.023 3.107 -0.623) 3.760 4.407 ( -5.292 6.904 -2.674) 9.100 4.463 ( 2.599 -0.276 -2.007) 3.295 4.502 ( 2.839 2.410 -7.026) 7.952 4.609 ( 0.447 -2.905 4.260) 5.175 4.671 ( -1.974 -0.821 -0.217) 2.149 4.781 ( 1.196 4.164 2.954) 5.243 4.828 ( 2.381 7.044 4.636) 8.763 4.939 ( -1.064 4.149 0.111) 4.285 5.011 ( -4.613 -3.162 4.450) 7.147 5.133 ( 2.083 4.286 0.586) 4.801 5.217 ( 3.053 1.674 -2.538) 4.309 5.227 ( 3.354 -1.058 -3.106) 4.692 5.427 ( 4.878 2.541 2.579) 6.075 5.465 ( 0.264 2.889 -0.116) 2.904 5.659 ( 6.014 0.524 4.547) 7.558 5.707 ( 1.410 9.167 0.286) 9.279 5.936 ( -4.281 -0.440 -1.784) 4.659 5.949 ( -0.335 0.466 -0.391) 0.694 6.019 ( -0.521 2.024 -0.794) 2.236 6.045 ( -0.732 0.989 2.466) 2.756 6.205 ( -0.966 1.637 -3.106) 3.642 6.283 ( 1.702 9.338 -0.283) 9.496 6.543 ( -6.200 0.087 -0.863) 6.261 6.597 ( -2.287 3.372 -2.234) 4.647 6.724 ( -4.349 0.600 0.559) 4.425 6.830 ( 0.368 -2.793 -1.019) 2.996 6.948 ( 2.803 1.732 -5.783) 6.656 7.033 ( 1.879 2.110 0.498) 2.869 7.238 ( -1.582 3.667 6.047) 7.247 7.659 ( 5.719 4.164 2.869) 7.634 7.899 ( 1.316 0.407 -0.563) 1.488 7.929 ( -3.071 0.855 -3.328) 4.608 8.042 ( -2.736 -1.094 1.265) 3.207 8.444 ( 3.254 -3.498 4.369) 6.474 8.616 ( -3.789 -2.275 -2.542) 5.099 9.545 ( 0.746 -3.351 2.612) 4.314 9.641 ( -3.359 -3.145 -3.465) 5.760 9.863 ( 2.441 2.013 0.234) 3.172 9.930 ( -0.368 1.157 -0.231) 1.236 10.157 ( 1.719 1.350 -1.739) 2.793 10.254 ( -1.964 1.414 1.197) 2.700 11.108 ( 1.691 -3.267 1.220) 3.876 11.240 ( -2.900 -3.420 -0.872) 4.568 12.464 ( 2.951 -1.418 2.379) 4.047 12.595 ( -1.706 -1.364 -2.313) 3.182 13.395 ( 0.722 0.925 -0.608) 1.322 13.426 ( -1.025 1.452 0.715) 1.916 13.611 ( 6.697 1.226 4.808) 8.335 13.933 ( -4.103 0.835 -2.129) 4.697 14.377 ( 0.750 1.928 1.412) 2.505 14.439 ( 2.130 0.954 1.977) 3.059 14.526 ( -2.951 0.239 -1.344) 3.251 14.645 ( -8.670 2.099 -7.495) 11.651 15.261 ( 1.546 -0.691 -0.455) 1.753 15.296 ( 0.593 0.062 2.620) 2.687 15.610 ( 0.272 0.173 1.482) 1.516 15.696 ( -2.364 0.308 -1.876) 3.034 16.183 ( 1.329 1.869 -0.956) 2.484 16.291 ( -0.563 1.692 -0.613) 1.885 16.416 ( 8.155 2.802 5.259) 10.100 16.776 ( -7.135 3.324 -6.333) 10.103 17.335 ( 7.318 0.627 3.436) 8.109 17.497 ( 0.247 2.822 -1.410) 3.164 19.020 ( 6.351 0.796 4.055) 7.577 19.463 ( -9.808 2.979 -7.238) 12.549 21.254 ( 3.539 -1.596 4.379) 5.852 21.407 ( -2.302 -1.443 -3.067) 4.098 25.317 ( 4.958 6.456 3.090) 8.707 25.532 ( -2.987 12.541 -5.539) 14.031 27.211 ( 2.765 5.900 4.152) 7.726 27.262 ( 0.920 5.808 -3.126) 6.659 28.439 ( 0.673 0.692 0.776) 1.239 28.453 ( 0.224 0.433 -0.602) 0.774 29.120 ( 0.179 -0.429 0.148) 0.488 29.135 ( -0.387 -0.157 -0.195) 0.461 31.806 ( 0.669 -4.185 -0.004) 4.238 31.823 ( 0.096 -3.722 -0.921) 3.836 32.880 ( 0.153 -1.807 0.767) 1.968 33.018 ( -6.766 -1.830 1.278) 7.125 33.314 ( 6.376 -0.163 0.044) 6.378 33.467 ( -0.892 0.197 -1.449) 1.713 33.915 ( 1.785 -8.756 -0.607) 8.956 34.034 ( -2.165 -9.839 -0.667) 10.096 34.429 ( -2.301 -11.826 -0.448) 12.056 34.491 ( -3.858 -8.143 0.760) 9.043 35.281 ( 4.696 6.894 4.898) 9.673 35.507 ( -4.402 7.341 -2.190) 8.835 ======================= Grid point 236 (106/117) ======================= q-point: ( 0.60 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 13.058 -7.359 -0.314) 14.992 1.597 ( -6.968 -6.980 5.012) 11.063 1.878 ( 0.965 -2.091 -1.292) 2.641 2.012 ( -8.410 4.151 -4.472) 10.390 2.261 ( 14.020 -6.616 -0.314) 15.506 2.434 ( 7.725 -2.949 2.011) 8.510 2.543 ( -1.878 -4.316 1.722) 5.012 2.644 ( -7.521 -5.240 -3.853) 9.943 2.717 ( -0.818 -5.304 0.074) 5.367 2.823 ( -6.706 4.122 0.166) 7.873 3.136 ( 0.305 -11.792 3.718) 12.368 3.171 ( -0.372 -4.856 -2.568) 5.505 3.346 ( 4.917 2.735 0.254) 5.632 3.383 ( -1.328 3.049 -1.453) 3.629 3.434 ( 5.063 -4.714 2.401) 7.322 3.619 ( 0.234 1.181 1.889) 2.240 3.656 ( 1.627 1.511 -3.270) 3.953 3.697 ( -4.662 -4.631 2.517) 7.036 3.904 ( 1.982 -4.440 3.192) 5.817 4.027 ( -5.473 -1.592 -4.031) 6.981 4.087 ( 2.588 9.397 2.246) 10.003 4.214 ( -6.738 7.723 -6.412) 12.089 4.473 ( -0.157 1.080 -5.114) 5.230 4.499 ( -2.860 -4.566 1.797) 5.680 4.621 ( 4.923 2.663 1.417) 5.774 4.679 ( 4.424 1.971 4.188) 6.403 4.731 ( -1.929 -0.743 0.441) 2.114 4.787 ( 4.062 1.109 4.833) 6.410 4.856 ( -4.802 1.363 -2.134) 5.428 4.993 ( -10.039 0.374 -1.471) 10.153 5.124 ( 7.572 -0.050 5.239) 9.208 5.207 ( 5.724 2.787 -5.737) 8.570 5.268 ( 0.538 -1.916 -2.919) 3.533 5.381 ( 7.757 4.696 0.150) 9.069 5.400 ( -6.212 3.469 4.985) 8.687 5.540 ( -0.454 6.072 -2.786) 6.697 5.733 ( 3.832 -1.699 0.484) 4.220 5.881 ( -5.306 1.717 6.282) 8.400 5.950 ( -2.286 -0.194 -1.283) 2.629 5.985 ( -2.560 -1.253 -4.713) 5.508 6.058 ( 3.012 -0.505 4.603) 5.524 6.154 ( -0.468 2.639 -2.462) 3.640 6.178 ( 5.265 3.747 0.247) 6.467 6.407 ( -9.266 4.735 -6.305) 12.167 6.635 ( 2.633 -2.208 1.604) 3.793 6.694 ( -0.463 0.983 2.010) 2.285 6.888 ( 0.113 -3.077 -1.990) 3.666 6.961 ( -3.872 -2.560 -1.751) 4.961 7.044 ( 6.928 -0.951 -1.164) 7.089 7.178 ( -2.544 1.328 4.788) 5.582 7.618 ( 6.641 4.519 3.980) 8.964 7.803 ( -5.981 4.977 -4.473) 8.975 7.945 ( 2.858 -0.343 2.581) 3.866 8.032 ( -3.128 -0.055 -2.808) 4.204 8.526 ( 3.309 -2.455 4.339) 5.984 8.623 ( -3.197 -1.075 -3.321) 4.734 9.615 ( 0.860 -3.230 2.711) 4.304 9.666 ( -2.700 -1.694 -3.561) 4.779 9.849 ( 2.549 1.094 1.452) 3.130 9.898 ( -1.005 1.597 -0.910) 2.095 10.148 ( 2.404 0.779 -0.776) 2.643 10.217 ( -2.446 0.881 0.464) 2.641 11.174 ( 2.999 -1.942 2.407) 4.308 11.273 ( -3.545 -1.990 -2.278) 4.660 12.505 ( 3.495 -0.613 2.538) 4.363 12.600 ( -2.827 -0.623 -2.416) 3.770 13.383 ( 0.496 0.673 -0.713) 1.099 13.397 ( -0.673 0.962 0.616) 1.325 13.641 ( 8.405 0.836 6.217) 10.488 13.873 ( -6.878 1.321 -4.308) 8.223 14.360 ( 2.440 0.916 1.737) 3.132 14.418 ( 1.045 2.125 1.233) 2.670 14.515 ( -2.399 -1.146 -1.069) 2.866 14.587 ( -6.270 -0.677 -5.588) 8.425 15.288 ( 1.305 -0.825 -0.265) 1.567 15.304 ( 0.407 -0.276 1.835) 1.900 15.623 ( 1.778 -0.895 1.608) 2.559 15.685 ( -1.890 -0.737 -1.221) 2.368 16.170 ( 2.618 0.961 0.769) 2.893 16.252 ( -2.101 1.504 -1.241) 2.866 16.416 ( 8.202 2.579 5.645) 10.285 16.664 ( -9.385 2.528 -7.101) 12.037 17.358 ( 5.286 1.204 3.040) 6.216 17.447 ( -1.217 2.061 -1.352) 2.749 19.057 ( 9.301 0.555 6.632) 11.437 19.354 ( -10.626 1.367 -7.853) 13.283 21.303 ( 3.949 -0.898 3.846) 5.585 21.409 ( -3.187 -0.707 -3.012) 4.441 25.239 ( 3.438 4.200 2.545) 5.995 25.334 ( -2.875 6.206 -3.159) 7.534 27.139 ( 1.643 3.169 2.822) 4.551 27.173 ( -0.521 3.313 -2.390) 4.118 28.433 ( 0.548 0.435 0.348) 0.781 28.444 ( -0.223 0.403 -0.300) 0.550 29.127 ( 0.214 -0.250 0.056) 0.334 29.135 ( -0.357 -0.131 -0.074) 0.388 31.872 ( 0.417 -2.186 -0.131) 2.229 31.879 ( -0.030 -1.953 -0.165) 1.960 32.923 ( 1.699 -1.939 0.472) 2.621 33.012 ( -5.197 -1.667 0.078) 5.459 33.340 ( 5.509 1.256 0.099) 5.651 33.442 ( -2.250 1.190 -0.553) 2.605 34.072 ( 2.819 -5.422 1.863) 6.388 34.169 ( -3.588 -5.624 -2.872) 7.263 34.603 ( -1.025 -7.206 1.918) 7.527 34.608 ( -1.032 -5.568 -1.139) 5.776 35.209 ( 5.999 3.854 1.233) 7.236 35.371 ( -5.524 3.469 -0.537) 6.545 ======================= Grid point 237 (107/117) ======================= q-point: (-0.30 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 15.105 -0.922 -0.526) 15.143 1.637 ( -7.543 -1.066 3.451) 8.363 1.873 ( -5.824 2.901 -1.411) 6.658 1.880 ( -4.855 2.481 -2.721) 6.093 2.392 ( 9.138 7.529 4.459) 12.652 2.464 ( 15.214 -2.074 1.934) 15.476 2.506 ( -8.240 9.178 -1.972) 12.490 2.621 ( -7.393 -4.441 -2.216) 8.904 2.885 ( -1.131 -11.238 0.691) 11.316 2.909 ( -3.503 -10.483 -1.227) 11.120 3.171 ( 2.616 2.922 1.508) 4.202 3.203 ( -2.257 2.470 -2.275) 4.046 3.299 ( 1.155 3.011 1.838) 3.712 3.320 ( -1.667 4.940 -2.199) 5.659 3.537 ( 2.052 3.906 2.227) 4.943 3.556 ( -0.320 3.716 -0.605) 3.779 3.657 ( 4.623 -2.177 0.887) 5.187 3.719 ( -4.811 -0.054 -0.692) 4.861 3.973 ( 4.134 0.481 3.964) 5.748 4.006 ( 2.132 -5.340 -1.139) 5.861 4.051 ( -2.182 -2.372 -3.358) 4.655 4.093 ( -7.459 -1.594 -2.454) 8.012 4.507 ( 2.749 -2.210 -2.057) 4.083 4.553 ( -4.596 -1.716 0.836) 4.977 4.588 ( 7.328 3.321 7.021) 10.678 4.682 ( -6.817 2.234 -5.196) 8.858 4.719 ( 9.136 -1.645 -0.610) 9.303 4.806 ( -2.468 -0.929 4.931) 5.592 4.858 ( 1.824 -1.846 1.679) 3.091 4.933 ( -7.674 -0.675 -3.342) 8.397 5.148 ( 8.312 4.686 -6.506) 11.549 5.204 ( 3.847 0.230 6.041) 7.166 5.256 ( -4.322 4.304 5.421) 8.160 5.305 ( -4.066 -2.721 -4.234) 6.470 5.364 ( 5.196 1.518 -2.234) 5.856 5.442 ( -5.798 3.094 0.677) 6.606 5.781 ( 3.966 -1.570 -6.566) 7.830 5.831 ( -4.070 -0.901 6.632) 7.833 5.995 ( 0.993 -3.493 0.911) 3.744 6.010 ( -1.108 -2.209 -1.256) 2.772 6.078 ( 3.130 0.881 2.044) 3.840 6.117 ( -1.942 1.169 -1.820) 2.907 6.168 ( 6.625 0.755 6.304) 9.176 6.285 ( -10.306 0.850 -8.662) 13.489 6.664 ( 2.986 -0.035 2.651) 3.993 6.690 ( -0.873 -0.507 -1.257) 1.612 6.933 ( 2.888 0.020 0.465) 2.925 6.975 ( -3.400 -0.168 0.373) 3.425 7.118 ( 3.624 -2.372 -3.580) 5.619 7.152 ( -1.788 -0.051 3.493) 3.924 7.582 ( 6.509 2.999 4.467) 8.444 7.676 ( -7.481 3.023 -4.747) 9.361 7.982 ( 3.268 -1.771 3.013) 4.785 8.024 ( -2.979 -1.443 -2.944) 4.430 8.573 ( 3.346 -0.161 1.399) 3.630 8.616 ( -3.150 -0.165 -1.414) 3.456 9.675 ( 0.150 -2.068 0.668) 2.179 9.678 ( -0.243 -1.258 -0.598) 1.414 9.845 ( 1.517 1.005 0.870) 2.017 9.863 ( -1.243 1.030 -0.854) 1.826 10.158 ( 2.688 -0.120 0.963) 2.858 10.193 ( -2.668 -0.084 -1.075) 2.878 11.216 ( 3.713 -0.100 3.353) 5.004 11.268 ( -3.930 -0.056 -3.355) 5.167 12.532 ( 3.823 0.287 2.508) 4.582 12.582 ( -3.625 0.282 -2.406) 4.360 13.377 ( 0.471 0.146 0.460) 0.674 13.384 ( -0.567 0.033 -0.546) 0.788 13.689 ( 9.139 -0.018 6.829) 11.409 13.807 ( -8.417 0.174 -5.828) 10.240 14.372 ( 2.453 -0.502 1.748) 3.054 14.395 ( -0.482 0.024 -0.413) 0.635 14.531 ( 0.679 -0.892 1.223) 1.659 14.571 ( -4.935 -1.220 -4.378) 6.709 15.302 ( 0.907 0.119 -0.699) 1.152 15.307 ( 0.061 0.255 1.249) 1.276 15.666 ( 2.987 -1.852 1.361) 3.769 15.699 ( -1.732 -1.816 -0.716) 2.610 16.172 ( 2.344 0.660 1.025) 2.642 16.209 ( -2.985 1.208 -1.322) 3.481 16.431 ( 9.363 1.561 6.560) 11.538 16.563 ( -10.556 1.204 -7.340) 12.913 17.361 ( 3.743 1.362 2.704) 4.814 17.402 ( -2.455 1.387 -1.756) 3.321 19.123 ( 11.184 -0.617 8.378) 13.988 19.275 ( -11.492 -0.652 -8.616) 14.378 21.338 ( 4.340 0.027 2.935) 5.239 21.393 ( -3.886 -0.048 -2.620) 4.687 25.210 ( 2.903 0.722 2.058) 3.631 25.250 ( -3.060 0.703 -2.133) 3.795 27.112 ( 1.359 0.688 0.909) 1.774 27.129 ( -1.240 0.661 -0.840) 1.638 28.430 ( 0.486 0.244 0.055) 0.546 28.436 ( -0.468 0.244 -0.057) 0.531 29.132 ( 0.297 -0.136 -0.107) 0.344 29.136 ( -0.301 -0.139 0.118) 0.352 31.892 ( 0.222 0.345 -0.932) 1.018 31.894 ( -0.219 0.338 0.936) 1.019 32.972 ( 3.142 -1.476 -0.235) 3.480 33.018 ( -4.304 -1.907 0.282) 4.715 33.343 ( 5.022 1.651 0.126) 5.288 33.399 ( -3.812 1.216 -0.206) 4.006 34.141 ( 3.302 0.482 3.333) 4.716 34.191 ( -4.055 0.701 -3.955) 5.708 34.681 ( 1.007 -2.013 -4.133) 4.706 34.691 ( -1.016 -2.475 5.326) 5.960 35.215 ( 7.391 -0.093 -1.032) 7.463 35.305 ( -6.665 -0.417 0.484) 6.695 ======================= Grid point 238 (108/117) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -5.519 5.045 -8.508) 11.327 1.529 ( 5.519 5.045 8.508) 11.327 1.801 ( -0.632 2.886 -3.355) 4.471 1.801 ( 0.632 2.886 3.355) 4.471 2.266 ( -3.770 9.899 -5.911) 12.130 2.266 ( 3.770 9.899 5.911) 12.130 2.567 ( -11.455 3.061 -11.540) 16.546 2.567 ( 11.455 3.061 11.540) 16.546 3.020 ( -4.425 1.682 -7.216) 8.630 3.020 ( 4.425 1.682 7.216) 8.630 3.156 ( 0.907 0.568 -5.863) 5.960 3.156 ( -0.907 0.568 5.863) 5.960 3.231 ( 2.346 -0.861 -7.145) 7.570 3.231 ( -2.346 -0.861 7.145) 7.570 3.450 ( -0.964 5.717 -1.605) 6.016 3.450 ( 0.964 5.717 1.605) 6.016 3.659 ( 1.389 3.157 -5.447) 6.447 3.659 ( -1.389 3.157 5.447) 6.447 4.073 ( -8.088 -3.298 -3.187) 9.298 4.073 ( 8.088 -3.298 3.187) 9.298 4.177 ( 3.860 -9.078 -5.332) 11.214 4.177 ( -3.860 -9.078 5.332) 11.214 4.511 ( 0.055 4.097 -4.885) 6.376 4.511 ( -0.055 4.097 4.885) 6.376 4.613 ( -3.990 -1.901 -8.361) 9.457 4.613 ( 3.990 -1.901 8.361) 9.457 4.777 ( -2.372 2.351 -2.123) 3.958 4.777 ( 2.372 2.351 2.123) 3.958 4.908 ( -7.125 -1.215 -4.839) 8.698 4.908 ( 7.125 -1.215 4.839) 8.698 5.158 ( 5.344 -2.081 -9.793) 11.349 5.158 ( -5.344 -2.081 9.793) 11.349 5.282 ( -7.151 0.293 -3.298) 7.880 5.282 ( 7.151 0.293 3.298) 7.880 5.402 ( -5.781 -2.613 -0.512) 6.365 5.402 ( 5.781 -2.613 0.512) 6.365 5.827 ( 3.007 0.515 -5.538) 6.323 5.827 ( -3.007 0.515 5.538) 6.323 6.036 ( -0.103 -0.420 -4.541) 4.561 6.036 ( 0.103 -0.420 4.541) 4.561 6.113 ( -0.275 -3.482 -1.177) 3.686 6.113 ( 0.275 -3.482 1.177) 3.686 6.243 ( -9.841 -3.235 -11.687) 15.617 6.243 ( 9.841 -3.235 11.687) 15.617 6.693 ( -1.741 -0.705 -4.999) 5.340 6.693 ( 1.741 -0.705 4.999) 5.340 6.928 ( -2.770 1.312 -2.588) 4.011 6.928 ( 2.770 1.312 2.588) 4.011 7.156 ( -1.252 -0.372 -7.556) 7.668 7.156 ( 1.252 -0.372 7.556) 7.668 7.606 ( -7.160 -0.826 -5.340) 8.970 7.606 ( 7.160 -0.826 5.340) 8.970 8.047 ( -1.256 -2.440 -3.848) 4.727 8.047 ( 1.256 -2.440 3.848) 4.727 8.579 ( -0.404 1.816 -5.503) 5.808 8.579 ( 0.404 1.816 5.503) 5.808 9.696 ( -2.728 0.051 -0.161) 2.733 9.696 ( 2.728 0.051 0.161) 2.733 9.843 ( -2.828 -0.052 -1.964) 3.443 9.843 ( 2.828 -0.052 1.964) 3.443 10.188 ( -2.084 -1.212 -3.669) 4.390 10.188 ( 2.084 -1.212 3.669) 4.390 11.226 ( -3.858 1.670 -4.066) 5.848 11.226 ( 3.858 1.670 4.066) 5.848 12.543 ( -3.949 1.151 -2.205) 4.667 12.543 ( 3.949 1.151 2.205) 4.667 13.386 ( -0.542 -0.751 -1.737) 1.968 13.386 ( 0.542 -0.751 1.737) 1.968 13.760 ( -9.019 -1.071 -6.536) 11.190 13.760 ( 9.019 -1.071 6.536) 11.190 14.415 ( -1.682 -2.727 -1.896) 3.723 14.415 ( 1.682 -2.727 1.896) 3.723 14.561 ( -4.544 -0.885 -3.753) 5.960 14.561 ( 4.544 -0.885 3.753) 5.960 15.295 ( 0.052 0.940 -1.109) 1.455 15.295 ( -0.052 0.940 1.109) 1.455 15.724 ( -2.062 -2.044 -1.271) 3.169 15.724 ( 2.062 -2.044 1.271) 3.169 16.171 ( -1.808 0.826 -1.074) 2.259 16.171 ( 1.808 0.826 1.074) 2.259 16.483 ( -10.952 -0.161 -7.471) 13.258 16.483 ( 10.952 -0.161 7.471) 13.258 17.362 ( -3.303 0.798 -2.609) 4.284 17.362 ( 3.303 0.798 2.609) 4.284 19.229 ( -12.350 -2.546 -9.396) 15.726 19.229 ( 12.350 -2.546 9.396) 15.726 21.357 ( -4.302 1.056 -2.333) 5.006 21.357 ( 4.302 1.056 2.333) 5.006 25.257 ( -3.809 -3.512 -2.229) 5.640 25.257 ( 3.809 -3.512 2.229) 5.640 27.129 ( 0.586 -1.428 -1.443) 2.113 27.129 ( -0.586 -1.428 1.443) 2.113 28.430 ( -0.011 0.060 -0.168) 0.179 28.430 ( 0.011 0.060 0.168) 0.179 29.136 ( 0.141 0.022 -0.404) 0.429 29.136 ( -0.141 0.022 0.404) 0.429 31.864 ( 0.345 2.560 -4.494) 5.184 31.864 ( -0.345 2.560 4.494) 5.184 33.020 ( -0.106 -0.908 -3.211) 3.338 33.020 ( 0.106 -0.908 3.211) 3.338 33.350 ( -2.986 0.843 -1.795) 3.584 33.350 ( 2.986 0.843 1.795) 3.584 34.097 ( -3.305 6.192 -4.106) 8.132 34.097 ( 3.305 6.192 4.106) 8.132 34.692 ( 1.598 1.656 -6.462) 6.859 34.692 ( -1.598 1.656 6.462) 6.859 35.297 ( -1.785 -3.344 -4.527) 5.905 35.297 ( 1.785 -3.344 4.527) 5.905 ======================= Grid point 244 (109/117) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 31.756 0.000 -0.128) 31.756 1.191 ( 5.435 0.000 -5.851) 7.985 1.411 ( 9.010 0.000 7.273) 11.579 1.529 ( 17.943 0.000 -16.516) 24.387 1.678 ( 1.439 0.000 21.936) 21.983 1.907 ( -5.733 -0.000 -7.935) 9.789 2.037 ( 1.242 0.000 12.395) 12.457 2.058 ( 8.880 0.000 -12.347) 15.208 2.443 ( -2.194 -0.000 8.464) 8.743 2.797 ( -8.176 -0.000 -7.309) 10.967 2.973 ( -0.820 -0.000 -14.452) 14.475 3.049 ( 6.373 0.000 3.638) 7.338 3.148 ( -7.694 -0.000 13.922) 15.906 3.165 ( -5.040 -0.000 12.810) 13.766 3.217 ( -0.538 -0.000 -3.486) 3.527 3.444 ( -7.400 -0.000 -7.725) 10.697 3.691 ( -8.288 -0.000 -7.914) 11.459 3.757 ( -3.067 -0.000 -12.281) 12.658 4.022 ( -0.509 -0.000 -1.696) 1.771 4.104 ( 7.068 0.000 4.029) 8.136 4.244 ( 1.638 0.000 -2.802) 3.246 4.254 ( -6.129 -0.000 6.242) 8.748 4.471 ( 0.523 0.000 4.183) 4.215 4.489 ( 0.320 0.000 -0.229) 0.393 4.635 ( -3.353 -0.000 -0.998) 3.499 4.640 ( -3.284 -0.000 1.715) 3.704 4.852 ( 2.849 0.000 4.156) 5.039 4.874 ( 6.586 0.000 6.284) 9.103 5.010 ( 6.521 0.000 -3.868) 7.581 5.099 ( 0.726 0.000 10.932) 10.956 5.132 ( 6.858 0.000 2.664) 7.358 5.182 ( 4.482 0.000 3.989) 6.000 5.360 ( 2.487 0.000 5.697) 6.216 5.444 ( -2.297 -0.000 -6.987) 7.355 5.547 ( -5.682 -0.000 -0.817) 5.740 5.742 ( -1.840 -0.000 -8.650) 8.844 5.824 ( 12.966 0.000 -5.311) 14.012 5.962 ( 5.794 0.000 -5.966) 8.317 6.075 ( 4.550 0.000 10.395) 11.347 6.210 ( -2.364 -0.000 -0.068) 2.365 6.325 ( -1.410 -0.000 -4.628) 4.838 6.390 ( -6.913 -0.000 -4.884) 8.464 6.516 ( -5.879 -0.000 2.404) 6.352 6.631 ( -12.334 -0.000 -2.034) 12.501 6.641 ( -0.008 -0.000 1.599) 1.599 6.842 ( -2.781 -0.000 -4.055) 4.917 6.952 ( 2.273 0.000 6.322) 6.718 7.058 ( -1.398 -0.000 -1.960) 2.407 7.141 ( 3.074 0.000 3.893) 4.960 7.498 ( -2.817 -0.000 5.082) 5.811 7.678 ( 9.986 0.000 11.867) 15.509 7.695 ( 6.001 0.000 -5.101) 7.876 7.998 ( -8.723 -0.000 -4.263) 9.709 8.257 ( 0.475 0.000 3.644) 3.675 8.310 ( -8.147 -0.000 -1.236) 8.240 8.314 ( 0.126 0.000 -3.488) 3.490 9.428 ( 1.227 0.000 -1.720) 2.113 9.503 ( 0.630 0.000 2.265) 2.351 9.902 ( 1.831 0.000 -3.254) 3.734 9.932 ( 1.423 0.000 1.601) 2.142 10.196 ( 1.199 0.000 -0.054) 1.200 10.322 ( -1.233 -0.000 0.103) 1.237 10.950 ( -1.015 -0.000 -0.491) 1.127 11.101 ( -2.841 -0.000 1.386) 3.161 12.372 ( 2.375 0.000 2.749) 3.633 12.535 ( -0.162 -0.000 -2.602) 2.607 13.424 ( 0.094 0.000 0.265) 0.281 13.460 ( -0.741 -0.000 -0.925) 1.185 13.633 ( 3.640 0.000 3.388) 4.972 13.921 ( -1.036 -0.000 -1.365) 1.714 14.429 ( -0.385 -0.000 -0.862) 0.944 14.461 ( -0.341 -0.000 0.104) 0.356 14.586 ( -1.791 -0.000 2.111) 2.769 14.905 ( -11.665 -0.000 -10.076) 15.414 15.295 ( 0.861 0.000 -1.925) 2.109 15.335 ( 0.287 0.000 1.306) 1.337 15.646 ( -1.299 -0.000 1.562) 2.032 15.739 ( -3.167 -0.000 -2.680) 4.149 16.286 ( 0.058 0.000 -5.343) 5.344 16.372 ( 1.095 0.000 2.860) 3.062 16.484 ( 7.932 0.000 5.005) 9.379 16.949 ( -4.777 -0.000 -5.454) 7.250 17.291 ( 11.472 0.000 5.144) 12.572 17.658 ( 0.398 0.000 -5.598) 5.612 19.011 ( 0.962 0.000 -0.416) 1.048 19.677 ( -13.953 -0.000 -10.602) 17.524 21.193 ( 3.624 0.000 0.796) 3.710 21.273 ( 1.117 0.000 -1.690) 2.026 25.557 ( 9.595 0.000 4.370) 10.544 26.272 ( -10.578 -0.000 -20.097) 22.711 27.496 ( 7.116 0.000 -2.849) 7.665 27.700 ( 4.892 0.000 -6.888) 8.448 28.469 ( 1.752 0.000 -1.727) 2.460 28.516 ( 2.069 0.000 0.366) 2.101 29.102 ( 0.992 0.000 -0.724) 1.228 29.119 ( 0.124 0.000 0.078) 0.147 31.591 ( 0.218 0.000 0.381) 0.439 31.599 ( 0.080 0.000 -0.342) 0.351 32.870 ( -4.075 -0.000 2.841) 4.968 32.874 ( -2.183 -0.000 2.246) 3.132 33.214 ( -2.040 -0.000 3.802) 4.314 33.305 ( -3.080 -0.000 -0.560) 3.131 33.581 ( 0.017 0.000 -0.907) 0.907 33.598 ( -0.037 -0.000 2.301) 2.302 33.893 ( 2.475 0.000 -1.454) 2.870 34.147 ( -5.739 -0.000 5.328) 7.831 35.567 ( 4.422 0.000 12.067) 12.851 35.953 ( -5.582 -0.000 -3.447) 6.560 ======================= Grid point 245 (110/117) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 21.779 8.638 1.117) 23.456 1.299 ( 12.514 -2.532 -3.936) 13.360 1.476 ( 5.299 -4.054 -2.230) 7.035 1.777 ( 5.027 -10.619 12.178) 16.921 1.828 ( 13.710 -10.653 -6.462) 18.526 1.936 ( -4.327 -6.580 -7.395) 10.803 2.074 ( 3.525 -5.516 4.994) 8.234 2.294 ( -2.451 -11.881 0.663) 12.150 2.309 ( 0.814 2.622 10.760) 11.105 2.827 ( -15.855 -0.896 -2.099) 16.019 2.911 ( -2.979 -2.181 -5.548) 6.665 2.999 ( -1.130 2.455 -2.791) 3.884 3.171 ( 2.244 1.201 1.340) 2.876 3.182 ( -2.704 -4.246 -0.129) 5.036 3.260 ( 0.265 -7.078 8.717) 11.232 3.476 ( 1.787 -3.410 -4.545) 5.956 3.597 ( -9.115 1.416 -9.879) 13.516 3.697 ( -1.671 2.721 -6.861) 7.567 4.001 ( -0.845 1.641 0.630) 1.950 4.073 ( -1.242 6.539 -1.126) 6.750 4.251 ( 1.245 1.569 -2.021) 2.846 4.315 ( 0.123 -6.499 8.915) 11.033 4.465 ( 0.288 1.273 -0.848) 1.556 4.495 ( -1.152 -2.305 1.682) 3.077 4.580 ( -1.044 2.069 -0.833) 2.463 4.636 ( -3.353 -1.775 -0.185) 3.799 4.889 ( 2.721 -0.424 3.172) 4.201 4.930 ( 7.663 -0.933 7.082) 10.476 5.037 ( 6.173 1.868 -4.457) 7.839 5.072 ( -0.051 1.572 10.367) 10.485 5.213 ( 4.353 -0.128 4.180) 6.036 5.260 ( 3.054 -4.762 3.719) 6.770 5.320 ( 2.418 3.854 0.803) 4.619 5.432 ( -3.021 0.119 -4.135) 5.123 5.492 ( -1.206 3.192 0.361) 3.431 5.719 ( -2.885 -1.080 -8.274) 8.828 5.889 ( 9.272 1.378 -4.426) 10.367 6.015 ( 4.879 -0.494 -4.895) 6.929 6.068 ( 5.940 4.409 8.765) 11.470 6.162 ( -0.686 3.720 -0.575) 3.826 6.188 ( -6.468 8.004 -1.164) 10.356 6.312 ( -2.582 3.717 -5.864) 7.407 6.510 ( -5.957 0.463 3.348) 6.849 6.568 ( -7.898 -1.422 -2.190) 8.319 6.619 ( -1.559 1.819 3.150) 3.958 6.807 ( -6.335 1.062 -6.872) 9.407 6.867 ( 5.322 5.553 3.610) 8.497 7.094 ( -2.893 1.857 0.362) 3.457 7.205 ( 2.692 -4.730 2.232) 5.882 7.328 ( -0.974 11.180 0.714) 11.246 7.748 ( 4.196 -4.566 3.354) 7.050 7.791 ( 0.244 -0.708 1.649) 1.811 7.914 ( 3.844 1.926 0.481) 4.327 8.179 ( -6.968 6.826 -1.261) 9.836 8.331 ( 1.121 -2.308 -2.579) 3.638 8.388 ( -4.161 -8.894 1.287) 9.904 9.450 ( 1.736 -1.392 0.078) 2.227 9.525 ( -1.214 -2.056 0.340) 2.412 9.910 ( 1.833 0.294 -2.356) 3.000 9.946 ( 0.688 -0.351 1.101) 1.345 10.200 ( 2.117 0.704 -0.098) 2.233 10.304 ( -1.916 0.836 -0.015) 2.090 10.975 ( 0.540 -2.634 0.691) 2.776 11.105 ( -3.795 -2.583 0.011) 4.590 12.404 ( 3.358 -1.226 3.384) 4.923 12.540 ( -1.436 -1.055 -3.210) 3.671 13.423 ( 0.794 0.375 0.573) 1.048 13.457 ( -0.966 -0.048 -0.423) 1.056 13.658 ( 6.621 0.841 6.018) 8.987 13.920 ( -2.502 -0.879 -2.036) 3.344 14.429 ( 0.643 0.227 0.209) 0.713 14.454 ( 0.161 0.569 0.523) 0.789 14.565 ( -1.045 1.188 2.199) 2.709 14.790 ( -11.708 3.548 -10.689) 16.246 15.287 ( 1.467 1.307 -1.760) 2.637 15.324 ( -0.234 1.055 1.638) 1.962 15.634 ( -0.183 0.688 1.991) 2.114 15.714 ( -3.326 0.383 -2.871) 4.410 16.270 ( 1.432 1.833 -3.771) 4.430 16.359 ( -0.360 1.475 1.652) 2.244 16.517 ( 8.713 1.938 6.255) 10.899 16.886 ( -8.011 1.794 -7.838) 11.350 17.363 ( 11.737 0.654 5.931) 13.167 17.622 ( -0.949 2.868 -4.272) 5.232 19.035 ( 6.299 0.010 3.659) 7.284 19.565 ( -14.649 1.623 -10.711) 18.220 21.208 ( 3.822 -0.080 3.051) 4.891 21.315 ( -0.921 -3.030 -3.053) 4.399 25.577 ( 11.107 5.021 6.651) 13.886 26.083 ( -10.805 10.983 -16.779) 22.780 27.487 ( 5.966 5.274 -2.585) 8.372 27.598 ( 2.536 10.590 -1.144) 10.949 28.473 ( 1.408 0.578 -1.610) 2.215 28.494 ( 0.981 2.340 1.561) 2.979 29.105 ( 0.765 -0.022 -0.179) 0.786 29.125 ( -0.134 -0.372 -0.088) 0.405 31.635 ( 0.314 -3.477 -0.365) 3.510 31.646 ( -0.149 -4.607 -0.613) 4.650 32.836 ( -1.160 -0.055 1.417) 1.832 32.912 ( -4.785 -3.458 3.044) 6.643 33.236 ( 2.064 -2.667 1.893) 3.867 33.357 ( -3.028 -5.799 -2.152) 6.887 33.628 ( 0.750 -4.666 -2.996) 5.595 33.667 ( -1.653 -6.871 2.497) 7.495 33.980 ( 2.777 -7.191 -1.371) 7.830 34.167 ( -6.232 -5.809 4.903) 9.829 35.552 ( 5.603 5.149 10.958) 13.341 35.837 ( -6.369 7.134 -5.638) 11.101 ======================= Grid point 246 (111/117) ======================= q-point: ( 0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 16.379 3.642 -2.318) 16.939 1.362 ( -3.172 -2.279 2.827) 4.822 1.669 ( 12.476 -9.155 -0.175) 15.476 1.996 ( -1.908 -5.278 -13.577) 14.692 2.052 ( 4.833 -9.137 8.065) 13.110 2.087 ( 0.443 -9.546 -8.515) 12.799 2.166 ( 0.779 -5.478 13.230) 14.340 2.311 ( -9.957 -6.499 -4.358) 12.664 2.619 ( 5.090 -14.493 13.713) 20.591 2.772 ( -5.488 -6.395 0.698) 8.456 2.960 ( 2.147 -0.952 -5.966) 6.412 3.009 ( 5.931 0.197 9.232) 10.975 3.131 ( -6.557 0.540 -9.263) 11.362 3.244 ( -3.683 -5.765 -3.902) 7.876 3.425 ( 4.539 -5.981 4.456) 8.731 3.549 ( 3.522 -4.796 -0.917) 6.020 3.600 ( -4.937 -4.711 -8.060) 10.561 3.656 ( -1.333 1.070 -2.316) 2.878 3.898 ( -3.792 7.385 4.092) 9.256 3.932 ( -5.739 3.657 -0.926) 6.867 4.248 ( 4.338 -0.413 -2.001) 4.795 4.402 ( -6.376 -2.764 -1.260) 7.062 4.470 ( 2.534 -0.924 -1.337) 3.010 4.527 ( -1.652 -2.358 3.432) 4.480 4.571 ( 2.780 0.238 -0.669) 2.869 4.652 ( -3.156 -1.164 -0.585) 3.414 4.875 ( 4.019 3.931 2.925) 6.337 4.963 ( 2.717 4.901 -1.322) 5.758 5.004 ( 0.806 1.897 4.610) 5.050 5.018 ( 0.895 4.419 7.703) 8.925 5.228 ( 2.179 -0.127 -1.917) 2.904 5.236 ( -2.015 4.729 -5.045) 7.203 5.293 ( 5.284 3.754 1.043) 6.566 5.413 ( -4.015 -0.589 0.667) 4.112 5.510 ( 8.581 -2.952 7.848) 11.998 5.737 ( -1.688 -0.889 -4.648) 5.024 5.859 ( 2.923 5.815 -1.859) 6.768 5.946 ( -0.661 6.818 1.342) 6.980 6.002 ( 3.023 4.408 -6.345) 8.297 6.076 ( -3.443 4.007 -1.745) 5.564 6.085 ( 3.318 2.723 8.069) 9.140 6.223 ( -4.054 2.415 -4.898) 6.801 6.453 ( 1.412 4.388 2.501) 5.244 6.519 ( -3.261 2.189 1.786) 4.315 6.599 ( -4.374 -1.639 -0.655) 4.717 6.703 ( -8.667 3.978 -5.601) 11.059 6.843 ( 6.122 1.404 1.909) 6.564 6.994 ( -5.014 4.100 -1.720) 6.702 7.154 ( 6.710 6.542 -2.663) 9.743 7.273 ( -2.944 0.530 3.894) 4.910 7.763 ( 4.448 2.833 3.325) 6.234 7.859 ( -0.747 -4.157 -1.313) 4.423 7.938 ( 2.151 0.148 -1.144) 2.440 8.026 ( -4.788 3.175 1.825) 6.028 8.401 ( 3.397 -3.550 1.371) 5.101 8.506 ( -5.079 -6.062 -1.772) 8.105 9.499 ( 1.896 -2.411 2.412) 3.902 9.561 ( -2.529 -2.889 -2.330) 4.491 9.908 ( 1.971 1.145 -0.839) 2.430 9.945 ( -0.542 0.635 0.341) 0.902 10.195 ( 2.525 1.287 -0.903) 2.974 10.268 ( -2.572 1.436 0.477) 2.984 11.050 ( 2.281 -3.916 1.685) 4.835 11.145 ( -4.065 -3.939 -1.309) 5.810 12.456 ( 3.830 -1.648 3.482) 5.432 12.552 ( -2.544 -1.538 -3.360) 4.486 13.418 ( 0.916 0.836 -0.074) 1.242 13.443 ( -1.165 0.856 0.179) 1.457 13.688 ( 8.870 1.268 7.162) 11.471 13.907 ( -5.486 -0.149 -3.549) 6.535 14.420 ( 1.796 1.444 2.010) 3.058 14.455 ( 1.396 -0.297 1.355) 1.968 14.530 ( -1.537 1.763 0.664) 2.431 14.642 ( -9.942 3.839 -9.468) 14.256 15.273 ( 1.766 0.818 -1.064) 2.218 15.303 ( -0.519 0.656 1.768) 1.956 15.623 ( 1.003 0.628 2.267) 2.557 15.684 ( -3.105 0.432 -2.827) 4.222 16.241 ( 3.117 2.417 -1.054) 4.082 16.319 ( -1.640 1.923 0.018) 2.527 16.528 ( 9.079 2.881 6.872) 11.746 16.782 ( -9.399 2.945 -8.433) 12.967 17.410 ( 9.061 1.477 4.863) 10.389 17.552 ( -1.732 3.223 -2.891) 4.663 19.085 ( 9.956 0.474 6.676) 11.997 19.435 ( -14.056 2.069 -10.238) 17.512 21.251 ( 4.298 -1.405 4.717) 6.534 21.353 ( -2.856 -2.266 -3.939) 5.367 25.510 ( 9.360 8.570 6.622) 14.315 25.763 ( -8.254 14.270 -10.823) 19.720 27.377 ( 3.520 8.588 0.969) 9.332 27.409 ( 1.266 9.201 -0.643) 9.310 28.463 ( 0.625 1.360 1.390) 2.042 28.465 ( 0.512 0.735 -1.161) 1.467 29.114 ( 0.563 -0.365 0.116) 0.681 29.129 ( -0.471 -0.248 -0.151) 0.553 31.722 ( 0.710 -4.894 -0.077) 4.946 31.738 ( -0.387 -4.922 -0.900) 5.018 32.852 ( 0.897 -1.483 0.341) 1.766 32.936 ( -5.757 -2.488 2.134) 6.625 33.324 ( 5.268 -2.988 0.884) 6.121 33.432 ( -2.676 -3.203 -2.047) 4.649 33.758 ( 1.645 -8.155 -2.351) 8.645 33.819 ( -3.102 -10.044 0.616) 10.530 34.186 ( 1.754 -12.030 -0.314) 12.161 34.285 ( -5.390 -9.644 2.413) 11.308 35.462 ( 5.996 7.871 7.942) 12.687 35.635 ( -6.113 8.971 -5.407) 12.128 ======================= Grid point 247 (112/117) ======================= q-point: ( 0.60 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 13.598 -5.536 -2.679) 14.924 1.396 ( -9.906 -6.292 4.996) 12.754 1.884 ( 10.541 -2.876 2.314) 11.169 2.015 ( -7.623 0.278 -10.598) 13.058 2.186 ( 5.644 -6.269 5.101) 9.858 2.270 ( -6.844 -12.315 -2.214) 14.262 2.345 ( 5.994 -9.966 2.579) 11.912 2.432 ( -7.551 -10.429 -0.672) 12.893 2.849 ( 6.299 7.706 5.272) 11.263 2.888 ( 1.477 -12.062 2.235) 12.356 2.932 ( -1.339 0.779 2.042) 2.563 2.985 ( -7.045 -1.795 -9.064) 11.620 3.261 ( 13.246 -14.142 3.799) 19.745 3.419 ( -9.826 -11.846 -3.791) 15.851 3.486 ( 4.933 4.927 1.624) 7.159 3.540 ( -3.554 5.861 2.165) 7.188 3.644 ( 3.413 -1.662 -6.863) 7.842 3.679 ( -2.596 -2.319 1.795) 3.917 3.823 ( 1.976 -3.118 5.891) 6.952 3.895 ( -8.214 -4.479 -3.919) 10.144 4.260 ( 4.717 4.238 2.037) 6.660 4.331 ( -5.990 5.612 -3.703) 9.005 4.501 ( 2.916 1.480 0.399) 3.295 4.521 ( 0.315 3.408 -3.707) 5.046 4.614 ( 0.851 -3.449 0.504) 3.588 4.639 ( -2.867 -1.696 1.245) 3.557 4.810 ( 3.572 4.645 2.631) 6.423 4.866 ( -2.001 3.920 -1.262) 4.578 4.893 ( 1.370 5.588 2.479) 6.265 4.959 ( -5.589 3.066 0.243) 6.380 5.175 ( 4.593 1.300 2.299) 5.299 5.222 ( -1.902 0.273 -3.391) 3.897 5.304 ( 7.746 0.548 -3.130) 8.373 5.392 ( -6.173 0.076 3.103) 6.909 5.563 ( 9.552 5.952 4.420) 12.092 5.666 ( -5.177 7.117 -4.694) 9.974 5.776 ( 8.193 2.314 7.406) 11.284 5.869 ( -5.334 0.507 -1.674) 5.614 5.951 ( -0.266 1.505 -1.181) 1.931 5.969 ( -4.127 3.032 -4.395) 6.748 6.084 ( 4.904 0.820 7.061) 8.636 6.156 ( -5.334 1.549 -6.022) 8.193 6.350 ( 7.408 7.369 2.256) 10.690 6.449 ( -7.889 4.975 -2.687) 9.707 6.599 ( 2.184 -2.143 0.154) 3.064 6.650 ( -5.778 -3.119 -0.621) 6.595 6.866 ( 4.319 0.017 0.512) 4.349 6.923 ( -4.217 0.679 -2.097) 4.758 7.109 ( 7.819 3.051 -2.353) 8.716 7.194 ( -5.719 3.176 3.980) 7.658 7.745 ( 7.165 3.491 4.751) 9.279 7.837 ( -6.757 2.686 -5.373) 9.041 7.958 ( 3.617 -0.702 1.116) 3.850 8.003 ( -3.453 -0.943 -0.196) 3.585 8.497 ( 4.567 -3.307 4.239) 7.054 8.559 ( -4.756 -3.073 -3.777) 6.807 9.565 ( 2.062 -2.999 3.462) 5.023 9.599 ( -2.865 -2.920 -3.708) 5.521 9.893 ( 2.264 1.604 0.859) 2.904 9.918 ( -1.515 1.362 -0.825) 2.198 10.186 ( 2.884 1.345 -1.109) 3.370 10.223 ( -2.940 1.366 0.846) 3.351 11.142 ( 3.531 -3.523 2.472) 5.567 11.193 ( -4.112 -3.566 -2.341) 5.925 12.511 ( 3.952 -1.293 3.300) 5.308 12.561 ( -3.394 -1.286 -3.231) 4.859 13.404 ( 0.808 1.083 -0.624) 1.488 13.414 ( -0.944 1.249 0.592) 1.673 13.724 ( 9.971 1.425 7.260) 12.416 13.849 ( -8.597 1.278 -5.639) 10.360 14.408 ( 4.006 1.698 3.308) 5.466 14.471 ( -3.220 2.898 -1.906) 4.733 14.480 ( 1.840 -1.113 2.120) 3.019 14.542 ( -6.366 0.602 -6.083) 8.826 15.282 ( 1.591 -0.491 -0.414) 1.716 15.297 ( -0.728 -0.282 1.213) 1.443 15.627 ( 2.062 -0.024 2.316) 3.101 15.661 ( -2.832 -0.085 -2.461) 3.753 16.221 ( 4.002 1.961 0.999) 4.567 16.268 ( -2.964 1.877 -1.149) 3.692 16.529 ( 9.388 3.173 7.136) 12.212 16.658 ( -10.067 3.264 -8.131) 13.346 17.424 ( 5.912 1.937 3.462) 7.120 17.480 ( -2.716 2.641 -2.370) 4.469 19.141 ( 11.841 1.025 8.358) 14.530 19.309 ( -13.184 1.764 -9.573) 16.388 21.309 ( 4.461 -1.388 4.805) 6.702 21.365 ( -3.894 -1.401 -4.243) 5.927 25.391 ( 6.267 8.520 5.050) 11.720 25.472 ( -5.677 10.701 -5.991) 13.514 27.244 ( 1.951 6.557 3.955) 7.902 27.262 ( -0.521 6.455 -3.550) 7.385 28.448 ( 0.531 0.743 0.781) 1.202 28.453 ( -0.177 0.635 -0.712) 0.970 29.124 ( 0.422 -0.311 0.134) 0.541 29.130 ( -0.495 -0.208 -0.148) 0.557 31.815 ( 0.634 -4.057 -0.061) 4.107 31.821 ( -0.353 -3.879 -0.284) 3.905 32.898 ( 2.604 -2.030 -0.005) 3.302 32.945 ( -4.930 -2.035 0.730) 5.383 33.387 ( 5.134 -0.111 0.695) 5.182 33.440 ( -3.193 0.057 -1.186) 3.407 33.946 ( 3.166 -9.244 0.862) 9.809 33.992 ( -3.829 -9.718 -1.668) 10.577 34.423 ( 1.062 -11.010 0.715) 11.085 34.449 ( -2.797 -9.641 -0.133) 10.040 35.354 ( 6.317 7.033 4.068) 10.292 35.437 ( -6.277 7.129 -3.207) 10.026 ======================= Grid point 248 (113/117) ======================= q-point: ( 0.70 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -1.990 -7.910 -5.800) 10.008 1.475 ( 1.990 -7.910 5.800) 10.008 1.918 ( -3.422 2.991 -5.803) 7.371 1.918 ( 3.422 2.991 5.803) 7.371 2.430 ( -6.883 -9.260 -4.282) 12.307 2.430 ( 6.883 -9.260 4.282) 12.307 2.547 ( -6.012 -3.803 -4.660) 8.505 2.547 ( 6.012 -3.803 4.660) 8.505 2.751 ( -3.816 2.409 0.100) 4.515 2.751 ( 3.816 2.409 -0.100) 4.514 3.155 ( -1.492 -9.341 -4.579) 10.510 3.155 ( 1.491 -9.341 4.579) 10.510 3.368 ( 0.218 5.929 -2.274) 6.354 3.368 ( -0.218 5.929 2.274) 6.354 3.546 ( -9.310 -5.683 -3.783) 11.545 3.546 ( 9.310 -5.683 3.783) 11.545 3.671 ( 0.941 0.791 -3.705) 3.903 3.671 ( -0.941 0.791 3.705) 3.903 3.954 ( -4.265 -4.492 -5.276) 8.137 3.954 ( 4.265 -4.492 5.276) 8.137 4.137 ( -4.535 9.217 -4.973) 11.412 4.137 ( 4.535 9.217 4.973) 11.412 4.475 ( 1.116 -0.933 -4.430) 4.663 4.475 ( -1.116 -0.933 4.430) 4.663 4.680 ( -3.186 -0.603 -0.705) 3.318 4.680 ( 3.186 -0.603 0.706) 3.318 4.766 ( -5.221 2.215 -5.107) 7.632 4.766 ( 5.221 2.215 5.107) 7.632 4.876 ( -6.397 0.547 -5.713) 8.594 4.876 ( 6.397 0.547 5.713) 8.594 5.211 ( -4.801 -1.287 -4.296) 6.569 5.211 ( 4.801 -1.287 4.296) 6.569 5.315 ( 6.276 3.828 -6.678) 9.932 5.315 ( -6.276 3.828 6.678) 9.932 5.484 ( -7.404 5.942 -2.498) 9.816 5.484 ( 7.403 5.942 2.498) 9.816 5.802 ( -3.346 1.221 -0.505) 3.597 5.802 ( 3.346 1.221 0.505) 3.597 5.953 ( -1.143 -1.873 -4.132) 4.678 5.953 ( 1.143 -1.873 4.132) 4.678 6.108 ( -3.360 0.154 -6.345) 7.181 6.108 ( 3.360 0.154 6.345) 7.181 6.285 ( -9.222 5.114 -4.460) 11.449 6.285 ( 9.222 5.114 4.460) 11.449 6.672 ( -0.722 -1.408 -2.159) 2.677 6.672 ( 0.722 -1.408 2.159) 2.677 6.911 ( -0.191 -2.571 -1.482) 2.974 6.911 ( 0.191 -2.571 1.482) 2.974 7.127 ( 2.851 0.125 -3.178) 4.271 7.127 ( -2.851 0.125 3.178) 4.271 7.712 ( -7.230 4.913 -5.646) 10.406 7.712 ( 7.230 4.913 5.646) 10.406 7.988 ( -3.455 -0.174 -3.353) 4.818 7.988 ( 3.455 -0.174 3.353) 4.818 8.575 ( -2.853 -1.799 -5.982) 6.867 8.575 ( 2.853 -1.799 5.982) 6.867 9.635 ( -1.913 -2.585 -3.310) 4.615 9.635 ( 1.913 -2.585 3.310) 4.615 9.879 ( -1.965 1.410 -1.380) 2.785 9.879 ( 1.965 1.410 1.380) 2.785 10.183 ( -0.658 0.818 -2.079) 2.329 10.183 ( 0.658 0.818 2.079) 2.329 11.222 ( -4.058 -2.019 -3.028) 5.451 11.222 ( 4.058 -2.019 3.028) 5.451 12.555 ( -3.878 -0.560 -2.961) 4.912 12.555 ( 3.878 -0.560 2.961) 4.912 13.389 ( 0.251 0.808 -1.266) 1.523 13.389 ( -0.251 0.808 1.266) 1.523 13.763 ( -9.570 1.190 -6.898) 11.857 13.763 ( 9.570 1.190 6.898) 11.857 14.401 ( -3.220 1.634 -2.325) 4.295 14.401 ( 3.220 1.634 2.325) 4.295 14.520 ( -3.337 -1.279 -3.470) 4.981 14.520 ( 3.337 -1.279 3.470) 4.981 15.302 ( 0.673 -0.551 -0.818) 1.194 15.302 ( -0.673 -0.551 0.818) 1.194 15.654 ( -2.418 -1.143 -2.225) 3.479 15.654 ( 2.418 -1.143 2.225) 3.479 16.213 ( -3.536 1.480 -1.705) 4.195 16.213 ( 3.536 1.480 1.705) 4.195 16.534 ( -9.949 2.654 -7.309) 12.627 16.534 ( 9.949 2.654 7.309) 12.627 17.416 ( -3.357 1.953 -2.555) 4.649 17.416 ( 3.357 1.953 2.555) 4.649 19.201 ( -12.188 0.786 -8.950) 15.142 19.201 ( 12.188 0.786 8.950) 15.142 21.359 ( -4.112 -0.782 -4.148) 5.893 21.359 ( 4.112 -0.782 4.148) 5.893 25.288 ( -3.772 5.327 -3.455) 7.385 25.288 ( 3.772 5.327 3.455) 7.385 27.160 ( -1.284 3.444 -2.825) 4.636 27.160 ( 1.284 3.444 2.825) 4.636 28.440 ( -0.431 0.472 -0.408) 0.758 28.440 ( 0.431 0.472 0.408) 0.758 29.131 ( -0.103 -0.206 -0.426) 0.484 29.131 ( 0.103 -0.206 0.426) 0.484 31.877 ( 0.221 -2.021 -4.085) 4.563 31.877 ( -0.221 -2.021 4.085) 4.563 32.957 ( -2.320 -2.011 -1.281) 3.327 32.957 ( 2.320 -2.011 1.281) 3.327 33.401 ( -3.802 1.374 -0.694) 4.101 33.401 ( 3.802 1.374 0.694) 4.101 34.117 ( -3.994 -5.481 -3.099) 7.456 34.117 ( 3.994 -5.481 3.099) 7.456 34.600 ( -0.086 -6.713 -2.932) 7.326 34.600 ( 0.086 -6.713 2.932) 7.326 35.292 ( -2.773 3.562 -5.893) 7.423 35.292 ( 2.773 3.562 5.893) 7.423 ======================= Grid point 256 (114/117) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 9.335 0.000 -3.252) 9.885 1.467 ( -0.328 -0.000 1.232) 1.275 1.554 ( 36.408 0.000 9.066) 37.520 1.706 ( 3.417 0.000 14.810) 15.199 1.756 ( 16.488 0.000 -10.391) 19.489 1.839 ( -3.043 -0.000 -9.245) 9.733 2.050 ( -1.301 -0.000 13.763) 13.824 2.163 ( 7.970 0.000 -8.508) 11.658 2.383 ( -6.600 -0.000 9.422) 11.504 2.571 ( -25.245 -0.000 -13.924) 28.830 2.968 ( 1.262 0.000 -11.495) 11.564 3.023 ( -5.275 -0.000 -10.253) 11.531 3.060 ( -6.635 -0.000 12.776) 14.396 3.079 ( -9.189 -0.000 8.711) 12.662 3.292 ( 8.998 0.000 10.952) 14.174 3.465 ( 9.128 0.000 -3.805) 9.889 3.552 ( -10.451 -0.000 -8.743) 13.626 3.699 ( -6.332 -0.000 -11.791) 13.384 4.033 ( 2.367 0.000 -0.890) 2.529 4.140 ( -4.498 -0.000 -0.025) 4.498 4.267 ( 6.988 0.000 10.151) 12.324 4.272 ( 3.249 0.000 -3.220) 4.574 4.470 ( -1.062 -0.000 3.320) 3.486 4.484 ( -0.966 -0.000 -0.839) 1.279 4.590 ( -3.033 -0.000 -0.017) 3.033 4.602 ( -2.833 -0.000 0.351) 2.855 4.900 ( 5.432 0.000 5.981) 8.079 4.959 ( 5.478 0.000 4.454) 7.060 5.084 ( 4.045 0.000 -8.505) 9.418 5.096 ( -2.061 -0.000 10.302) 10.506 5.225 ( 7.661 0.000 5.042) 9.171 5.235 ( 3.486 0.000 7.888) 8.624 5.386 ( -5.044 -0.000 -8.008) 9.464 5.387 ( 0.772 0.000 0.656) 1.013 5.522 ( 0.939 0.000 2.171) 2.365 5.672 ( -7.772 -0.000 -11.273) 13.692 5.974 ( 11.369 0.000 -3.309) 11.841 6.046 ( 7.661 0.000 -4.228) 8.751 6.150 ( 4.485 0.000 10.464) 11.385 6.198 ( 1.164 0.000 0.457) 1.251 6.231 ( -9.822 -0.000 -3.340) 10.375 6.345 ( -2.511 -0.000 -9.117) 9.457 6.450 ( -4.539 -0.000 4.142) 6.144 6.491 ( -9.250 -0.000 0.148) 9.251 6.656 ( 2.232 0.000 4.443) 4.973 6.778 ( -5.760 -0.000 -7.184) 9.208 6.995 ( 2.850 0.000 6.522) 7.117 7.039 ( -1.108 -0.000 -3.309) 3.490 7.196 ( 5.374 0.000 4.350) 6.913 7.409 ( -9.945 -0.000 -1.252) 10.024 7.752 ( 3.467 0.000 -4.662) 5.810 7.763 ( 2.486 0.000 6.616) 7.068 7.981 ( 5.295 0.000 2.555) 5.879 8.200 ( -9.143 -0.000 -3.437) 9.767 8.270 ( 1.204 0.000 3.195) 3.414 8.306 ( -0.916 -0.000 -3.324) 3.448 9.449 ( 2.206 0.000 -1.497) 2.666 9.499 ( -1.290 -0.000 1.961) 2.347 9.923 ( 1.860 0.000 -2.697) 3.277 9.945 ( 0.316 0.000 1.507) 1.539 10.224 ( 2.894 0.000 1.091) 3.093 10.299 ( -2.353 -0.000 -0.966) 2.543 10.955 ( 1.742 0.000 1.484) 2.288 11.052 ( -4.632 -0.000 -0.878) 4.714 12.416 ( 4.047 0.000 4.223) 5.849 12.516 ( -2.509 -0.000 -4.009) 4.730 13.432 ( 0.811 0.000 1.157) 1.413 13.450 ( -0.651 -0.000 -1.023) 1.213 13.715 ( 8.095 0.000 8.141) 11.481 13.892 ( -3.628 -0.000 -3.626) 5.129 14.438 ( 1.560 0.000 0.608) 1.674 14.460 ( 0.029 0.000 0.229) 0.231 14.578 ( 0.676 0.000 4.054) 4.110 14.748 ( -11.513 -0.000 -11.539) 16.301 15.308 ( 1.265 0.000 -1.342) 1.844 15.334 ( -0.572 -0.000 1.023) 1.172 15.642 ( 0.479 0.000 2.332) 2.381 15.696 ( -3.222 -0.000 -2.968) 4.380 16.301 ( 2.622 0.000 -3.284) 4.203 16.368 ( -1.734 -0.000 2.136) 2.751 16.593 ( 8.892 0.000 7.098) 11.378 16.844 ( -9.605 -0.000 -8.956) 13.132 17.447 ( 11.190 0.000 6.275) 12.829 17.635 ( -3.443 -0.000 -4.923) 6.008 19.090 ( 10.558 0.000 7.085) 12.715 19.476 ( -16.481 -0.000 -11.948) 20.356 21.232 ( 2.556 0.000 2.065) 3.286 21.275 ( -0.477 -0.000 -2.634) 2.676 25.713 ( 14.009 0.000 10.156) 17.304 26.102 ( -14.143 -0.000 -17.552) 22.541 27.582 ( 6.726 0.000 -2.062) 7.035 27.709 ( -2.132 -0.000 -3.048) 3.720 28.491 ( 1.890 0.000 -1.970) 2.730 28.526 ( -0.443 -0.000 1.343) 1.414 29.112 ( 0.683 0.000 -0.790) 1.045 29.119 ( -0.056 -0.000 0.298) 0.304 31.595 ( 0.258 0.000 0.344) 0.430 31.599 ( -0.042 -0.000 -0.335) 0.338 32.835 ( -1.599 -0.000 2.286) 2.789 32.849 ( -1.871 -0.000 1.226) 2.237 33.213 ( 1.094 0.000 1.955) 2.240 33.268 ( -2.759 -0.000 -0.776) 2.866 33.582 ( 0.387 0.000 -0.949) 1.025 33.596 ( -0.550 -0.000 1.750) 1.834 33.940 ( 4.935 0.000 -4.724) 6.831 34.075 ( -6.119 -0.000 6.239) 8.739 35.648 ( 6.917 0.000 11.611) 13.516 35.860 ( -8.146 -0.000 -7.691) 11.203 ======================= Grid point 257 (115/117) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 8.960 3.266 -1.618) 9.673 1.392 ( -2.742 5.123 -0.419) 5.826 1.670 ( 20.883 0.194 5.061) 21.488 1.808 ( -2.264 -6.555 2.059) 7.234 1.906 ( 4.174 -7.537 -6.813) 10.984 2.007 ( 5.958 -8.919 1.439) 10.822 2.066 ( -1.114 -1.216 5.132) 5.391 2.186 ( -8.424 -0.746 -3.912) 9.318 2.404 ( 9.326 -11.280 8.416) 16.883 2.584 ( -18.941 -9.447 -5.449) 21.856 2.897 ( 0.854 0.722 -1.252) 1.679 2.936 ( -5.271 -0.335 -3.242) 6.197 3.160 ( -0.250 -7.643 6.057) 9.755 3.181 ( -2.025 -5.521 -6.326) 8.637 3.327 ( 9.139 -0.239 12.062) 15.135 3.458 ( -9.443 1.505 -9.815) 13.702 3.551 ( 6.652 -2.277 -2.402) 7.429 3.638 ( -6.170 0.428 -4.257) 7.508 4.013 ( 2.218 4.521 1.419) 5.232 4.048 ( -2.785 6.744 -1.504) 7.449 4.275 ( 3.033 0.759 -2.424) 3.956 4.313 ( -2.426 -1.381 5.319) 6.007 4.471 ( 1.488 -0.477 -0.769) 1.741 4.488 ( -0.819 -1.337 1.420) 2.115 4.574 ( 0.376 -0.019 -1.240) 1.296 4.594 ( -2.907 -1.734 0.775) 3.473 4.954 ( 6.575 0.021 1.987) 6.869 5.012 ( 1.070 -1.593 3.867) 4.316 5.056 ( 0.814 2.804 6.804) 7.404 5.088 ( 0.204 1.363 -4.898) 5.088 5.242 ( 1.279 0.573 6.787) 6.930 5.268 ( -1.670 1.746 -7.642) 8.015 5.372 ( 4.413 -1.050 4.749) 6.567 5.404 ( -1.221 0.341 -1.021) 1.628 5.517 ( 5.294 0.331 5.807) 7.865 5.627 ( -9.436 -2.453 -11.620) 15.168 5.999 ( 8.437 4.093 -1.574) 9.508 6.073 ( 1.982 3.827 0.095) 4.311 6.103 ( -2.428 4.196 -4.050) 6.316 6.141 ( -3.219 2.856 1.857) 4.686 6.173 ( 6.881 4.510 8.480) 11.815 6.261 ( -5.252 4.676 -8.240) 10.832 6.452 ( -2.222 -1.276 3.036) 3.973 6.474 ( -5.172 -2.936 -1.382) 6.106 6.645 ( 4.002 3.161 6.039) 7.904 6.718 ( -6.511 2.357 -7.465) 10.182 6.948 ( 6.929 4.121 2.931) 8.579 7.035 ( -6.233 2.639 -1.855) 7.018 7.245 ( 3.387 -1.009 2.593) 4.383 7.292 ( -3.759 4.566 -1.713) 6.157 7.787 ( 1.759 -2.645 0.871) 3.293 7.795 ( 0.199 -1.152 0.594) 1.311 7.988 ( 7.025 2.827 2.732) 8.050 8.084 ( -7.796 5.154 -2.616) 9.705 8.340 ( 0.870 -4.281 -2.310) 4.942 8.354 ( -1.731 -5.977 1.685) 6.447 9.476 ( 2.286 -1.375 -0.234) 2.678 9.504 ( -2.086 -1.464 0.451) 2.588 9.932 ( 1.723 0.247 -1.716) 2.444 9.947 ( -0.732 0.003 1.212) 1.416 10.235 ( 3.096 0.887 0.677) 3.290 10.274 ( -2.874 0.904 -0.726) 3.099 10.999 ( 3.126 -2.824 1.985) 4.657 11.050 ( -4.527 -2.786 -1.705) 5.583 12.455 ( 4.172 -1.134 4.343) 6.128 12.507 ( -3.373 -1.062 -4.230) 5.513 13.435 ( 0.830 0.334 0.587) 1.070 13.445 ( -0.846 0.175 -0.510) 1.003 13.765 ( 8.696 0.520 8.120) 11.909 13.865 ( -6.071 -0.212 -5.349) 8.094 14.447 ( 1.653 0.217 0.929) 1.909 14.457 ( 0.037 0.124 0.357) 0.380 14.571 ( 2.387 1.970 5.079) 5.948 14.648 ( -8.990 2.909 -9.918) 13.699 15.304 ( 1.321 1.083 -1.393) 2.205 15.317 ( -0.908 1.065 1.330) 1.930 15.644 ( 1.466 0.478 2.647) 3.064 15.672 ( -2.795 0.360 -2.969) 4.094 16.302 ( 3.349 1.631 -1.805) 4.140 16.340 ( -2.630 1.457 1.276) 3.266 16.635 ( 9.470 1.798 7.939) 12.488 16.763 ( -10.001 1.694 -8.997) 13.559 17.498 ( 8.697 1.445 5.332) 10.303 17.584 ( -4.696 2.126 -4.387) 6.769 19.167 ( 13.358 0.222 9.423) 16.349 19.362 ( -15.991 0.705 -11.605) 19.771 21.254 ( 3.221 -0.904 3.547) 4.876 21.292 ( -2.313 -1.975 -3.570) 4.690 25.740 ( 13.502 6.751 11.213) 18.805 25.919 ( -13.389 8.674 -14.508) 21.564 27.553 ( 4.742 6.698 -2.062) 8.462 27.597 ( -2.217 8.621 0.705) 8.930 28.489 ( 1.168 1.145 -1.827) 2.452 28.498 ( -0.412 1.863 1.834) 2.647 29.114 ( 0.679 -0.011 -0.137) 0.693 29.121 ( -0.429 -0.180 0.020) 0.466 31.638 ( 0.329 -3.809 -0.242) 3.831 31.642 ( -0.302 -4.245 -0.087) 4.256 32.836 ( 1.106 -0.865 0.027) 1.404 32.863 ( -3.246 -1.974 1.690) 4.158 33.272 ( 3.268 -4.511 1.408) 5.746 33.315 ( -3.409 -5.617 -1.615) 6.766 33.637 ( 0.983 -5.074 -2.736) 5.848 33.650 ( -1.360 -5.721 2.614) 6.435 34.029 ( 4.951 -6.185 -3.576) 8.692 34.094 ( -5.868 -5.823 4.700) 9.510 35.641 ( 7.277 5.593 10.147) 13.682 35.742 ( -7.735 6.234 -8.481) 13.063 ======================= Grid point 258 (116/117) ======================= q-point: ( 0.60 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 8.348 1.838 -4.590) 9.702 1.292 ( -8.348 1.838 4.590) 9.702 1.860 ( -12.776 -6.997 -8.469) 16.850 1.860 ( 12.776 -6.997 8.469) 16.850 2.101 ( 0.569 -6.332 -14.633) 15.955 2.101 ( -0.569 -6.332 14.633) 15.955 2.203 ( -4.882 -6.812 -6.333) 10.505 2.203 ( 4.882 -6.812 6.333) 10.505 2.694 ( -5.498 -10.832 -6.931) 13.985 2.694 ( 5.498 -10.832 6.931) 13.985 3.006 ( -4.819 -6.829 -2.394) 8.694 3.006 ( 4.819 -6.829 2.394) 8.694 3.160 ( -8.408 2.695 -0.437) 8.840 3.160 ( 8.408 2.695 0.437) 8.840 3.500 ( -6.584 -8.674 -4.980) 11.975 3.500 ( 6.584 -8.674 4.980) 11.975 3.618 ( 0.228 -1.104 -9.432) 9.499 3.618 ( -0.228 -1.104 9.432) 9.499 3.886 ( -1.281 7.242 -3.074) 7.971 3.886 ( 1.281 7.242 3.074) 7.971 4.316 ( -6.167 -1.419 -0.349) 6.338 4.316 ( 6.167 -1.419 0.349) 6.338 4.503 ( 1.988 -1.589 -2.570) 3.617 4.503 ( -1.988 -1.589 2.570) 3.617 4.610 ( -0.150 -1.075 -3.583) 3.744 4.610 ( 0.150 -1.075 3.583) 3.744 4.938 ( -5.009 5.325 -0.304) 7.317 4.938 ( 5.009 5.325 0.304) 7.317 5.025 ( 2.566 4.618 -7.057) 8.815 5.025 ( -2.566 4.618 7.057) 8.815 5.229 ( 0.541 1.597 -2.932) 3.383 5.229 ( -0.541 1.597 2.932) 3.383 5.358 ( -4.764 1.489 0.347) 5.004 5.358 ( 4.764 1.489 -0.347) 5.004 5.640 ( -9.557 -3.958 -11.716) 15.629 5.640 ( 9.557 -3.958 11.716) 15.629 5.922 ( -4.069 7.521 -2.653) 8.953 5.922 ( 4.069 7.521 2.653) 8.953 6.031 ( 1.308 5.370 -2.312) 5.991 6.031 ( -1.308 5.370 2.312) 5.991 6.153 ( -5.722 2.259 -8.297) 10.329 6.153 ( 5.722 2.259 8.297) 10.329 6.481 ( -1.905 0.562 -3.088) 3.672 6.481 ( 1.905 0.562 3.088) 3.672 6.608 ( -4.785 3.087 -5.661) 8.029 6.608 ( 4.785 3.087 5.661) 8.029 6.922 ( -6.049 2.822 -1.817) 6.918 6.922 ( 6.049 2.822 1.817) 6.918 7.225 ( 2.759 3.292 -4.387) 6.140 7.225 ( -2.759 3.292 4.387) 6.140 7.823 ( -3.678 -0.147 -4.131) 5.533 7.823 ( 3.678 -0.147 4.131) 5.533 7.974 ( 3.548 1.195 -1.891) 4.195 7.974 ( -3.548 1.195 1.891) 4.195 8.448 ( -3.098 -5.035 -2.872) 6.573 8.448 ( 3.098 -5.035 2.872) 6.573 9.528 ( -1.846 -2.476 -3.384) 4.582 9.528 ( 1.846 -2.476 3.384) 4.582 9.931 ( -1.062 0.932 0.044) 1.413 9.931 ( 1.062 0.932 -0.044) 1.413 10.231 ( -3.026 1.415 0.307) 3.355 10.231 ( 3.026 1.415 -0.307) 3.355 11.092 ( -3.997 -4.069 -2.255) 6.134 11.092 ( 3.997 -4.069 2.255) 6.134 12.509 ( -3.867 -1.552 -3.904) 5.710 12.509 ( 3.867 -1.552 3.904) 5.710 13.429 ( -0.256 0.866 -0.587) 1.077 13.429 ( 0.256 0.866 0.587) 1.077 13.811 ( -8.805 0.771 -7.329) 11.482 13.811 ( 8.805 0.771 7.329) 11.482 14.454 ( -2.234 0.137 -1.389) 2.634 14.454 ( 2.234 0.137 1.389) 2.634 14.541 ( -4.291 3.040 -5.658) 7.725 14.541 ( 4.291 3.040 5.658) 7.725 15.292 ( 0.774 0.644 -1.404) 1.727 15.292 ( -0.774 0.644 1.404) 1.727 15.647 ( -2.370 0.447 -2.850) 3.734 15.647 ( 2.370 0.447 2.850) 3.734 16.286 ( -3.425 2.108 -0.162) 4.025 16.286 ( 3.425 2.108 0.162) 4.025 16.652 ( -10.006 2.929 -8.402) 13.390 16.652 ( 10.006 2.929 8.402) 13.390 17.505 ( -5.427 2.490 -3.925) 7.146 17.505 ( 5.427 2.490 3.925) 7.146 19.246 ( -14.249 1.026 -10.220) 17.565 19.246 ( 14.249 1.026 10.220) 17.565 21.307 ( -3.851 -1.777 -4.841) 6.436 21.307 ( 3.851 -1.777 4.841) 6.436 25.639 ( -10.008 11.281 -9.432) 17.787 25.639 ( 10.008 11.281 9.432) 17.787 27.408 ( -0.044 9.138 -3.953) 9.957 27.408 ( 0.044 9.138 3.953) 9.957 28.468 ( -0.007 1.135 -1.345) 1.760 28.468 ( 0.007 1.135 1.345) 1.760 29.121 ( -0.622 -0.246 -0.119) 0.679 29.121 ( 0.622 -0.246 0.119) 0.679 31.731 ( -0.066 -4.972 -1.882) 5.317 31.731 ( 0.066 -4.972 1.882) 5.317 32.879 ( -0.870 -1.951 -0.640) 2.230 32.879 ( 0.870 -1.951 0.640) 2.230 33.386 ( -4.197 -3.504 -1.686) 5.721 33.386 ( 4.197 -3.504 1.686) 5.721 33.783 ( 0.781 -9.076 -1.976) 9.321 33.783 ( -0.781 -9.076 1.976) 9.321 34.225 ( -0.111 -10.628 -1.886) 10.795 34.225 ( 0.111 -10.628 1.886) 10.795 35.548 ( -5.806 8.352 -8.650) 13.352 35.548 ( 5.806 8.352 8.650) 13.352 ======================= Grid point 269 (117/117) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -8.718 -0.000 0.944) 8.769 1.401 ( 8.718 0.000 -0.944) 8.769 1.747 ( -1.787 -0.000 -13.346) 13.465 1.747 ( 1.787 0.000 13.346) 13.465 1.921 ( 5.254 0.000 -10.958) 12.153 1.921 ( -5.254 -0.000 10.958) 12.153 2.112 ( -21.791 -0.000 -14.029) 25.916 2.112 ( 21.791 0.000 14.029) 25.916 2.327 ( 0.033 0.000 -9.348) 9.348 2.327 ( -0.033 -0.000 9.348) 9.348 2.986 ( 4.003 0.000 -4.934) 6.354 2.986 ( -4.003 -0.000 4.934) 6.354 3.007 ( 3.676 0.000 -14.352) 14.815 3.007 ( -3.676 -0.000 14.352) 14.815 3.419 ( -10.089 -0.000 -8.535) 13.215 3.419 ( 10.089 0.000 8.535) 13.215 3.592 ( -9.590 -0.000 -5.768) 11.191 3.592 ( 9.590 0.000 5.768) 11.191 4.077 ( -4.714 -0.000 1.136) 4.849 4.077 ( 4.714 0.000 -1.136) 4.849 4.309 ( 1.657 0.000 -4.443) 4.742 4.309 ( -1.657 -0.000 4.443) 4.742 4.468 ( -1.056 -0.000 -1.831) 2.113 4.468 ( 1.056 0.000 1.831) 2.113 4.576 ( -0.792 -0.000 -1.036) 1.304 4.576 ( 0.792 0.000 1.036) 1.304 4.975 ( -3.992 -0.000 -2.674) 4.805 4.975 ( 3.992 0.000 2.674) 4.805 5.090 ( -0.680 -0.000 -11.406) 11.426 5.090 ( 0.680 0.000 11.406) 11.426 5.278 ( -1.558 -0.000 -9.037) 9.170 5.278 ( 1.558 0.000 9.037) 9.170 5.367 ( -3.169 -0.000 -4.868) 5.809 5.367 ( 3.169 0.000 4.868) 5.809 5.567 ( -6.192 -0.000 -7.057) 9.388 5.567 ( 6.192 0.000 7.057) 9.388 6.103 ( -8.548 -0.000 0.938) 8.599 6.103 ( 8.548 0.000 -0.938) 8.599 6.134 ( 4.106 0.000 -4.216) 5.885 6.134 ( -4.106 -0.000 4.216) 5.885 6.277 ( -7.275 -0.000 -9.217) 11.742 6.277 ( 7.275 0.000 9.217) 11.742 6.425 ( -0.910 -0.000 -1.770) 1.991 6.425 ( 0.910 0.000 1.770) 1.991 6.704 ( -4.823 -0.000 -6.642) 8.209 6.704 ( 4.823 0.000 6.642) 8.209 7.024 ( -1.287 -0.000 -4.579) 4.756 7.024 ( 1.287 0.000 4.579) 4.756 7.286 ( -8.599 -0.000 -4.002) 9.485 7.286 ( 8.599 0.000 4.002) 9.485 7.775 ( 0.725 0.000 -4.575) 4.632 7.775 ( -0.725 -0.000 4.575) 4.632 8.082 ( -9.083 -0.000 -4.794) 10.270 8.082 ( 9.083 0.000 4.794) 10.270 8.289 ( -1.380 -0.000 -3.106) 3.398 8.289 ( 1.380 0.000 3.106) 3.398 9.477 ( 2.309 0.000 -1.580) 2.798 9.477 ( -2.309 -0.000 1.580) 2.798 9.941 ( 1.088 0.000 -1.967) 2.248 9.941 ( -1.088 -0.000 1.967) 2.248 10.264 ( -3.071 -0.000 -1.395) 3.373 10.264 ( 3.071 0.000 1.395) 3.373 10.994 ( -4.099 -0.000 -1.993) 4.557 10.994 ( 4.099 0.000 1.993) 4.557 12.471 ( -4.003 -0.000 -4.645) 6.132 12.471 ( 4.003 0.000 4.645) 6.132 13.442 ( -0.605 -0.000 -1.075) 1.233 13.442 ( 0.605 0.000 1.075) 1.233 13.821 ( -7.126 -0.000 -7.206) 10.134 13.821 ( 7.126 0.000 7.206) 10.134 14.456 ( -0.853 -0.000 -0.330) 0.914 14.456 ( 0.853 0.000 0.330) 0.914 14.624 ( -6.528 -0.000 -8.628) 10.819 14.624 ( 6.528 0.000 8.628) 10.819 15.323 ( 1.202 0.000 -1.014) 1.573 15.323 ( -1.202 -0.000 1.014) 1.573 15.660 ( -2.082 -0.000 -2.807) 3.495 15.660 ( 2.082 0.000 2.807) 3.495 16.338 ( 3.147 0.000 -2.114) 3.791 16.338 ( -3.147 -0.000 2.114) 3.791 16.715 ( -9.766 -0.000 -8.627) 13.031 16.715 ( 9.766 0.000 8.627) 13.031 17.566 ( -7.207 -0.000 -5.183) 8.877 17.566 ( 7.207 0.000 5.183) 8.877 19.264 ( -15.564 -0.000 -11.276) 19.219 19.264 ( 15.564 0.000 11.276) 19.219 21.260 ( -1.579 -0.000 -2.758) 3.178 21.260 ( 1.579 0.000 2.758) 3.178 25.906 ( -15.146 -0.000 -14.446) 20.931 25.906 ( 15.146 0.000 14.446) 20.931 27.658 ( -5.406 -0.000 0.157) 5.408 27.658 ( 5.406 0.000 -0.157) 5.408 28.512 ( 1.656 0.000 -1.957) 2.564 28.512 ( -1.656 -0.000 1.957) 2.564 29.118 ( 0.275 0.000 -0.547) 0.612 29.118 ( -0.275 -0.000 0.547) 0.612 31.598 ( -0.178 -0.000 -0.333) 0.378 31.598 ( 0.178 0.000 0.333) 0.378 32.832 ( -0.711 -0.000 -0.366) 0.800 32.832 ( 0.711 0.000 0.366) 0.800 33.236 ( -2.252 -0.000 -1.107) 2.509 33.236 ( 2.252 0.000 1.107) 2.509 33.589 ( 0.677 0.000 -1.271) 1.440 33.589 ( -0.677 -0.000 1.271) 1.440 34.004 ( 5.818 0.000 -6.166) 8.478 34.004 ( -5.818 -0.000 6.166) 8.478 35.750 ( -8.194 -0.000 -10.298) 13.160 35.750 ( 8.194 0.000 10.298) 13.160 =================== 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 3/43200 10.0 9.699 2.846 8.129 0.000 3.566 0.000 3/43200 20.0 2.675 1.448 2.504 0.000 1.010 0.000 3/43200 30.0 1.551 1.007 1.508 0.000 0.598 0.000 3/43200 40.0 1.142 0.804 1.134 0.000 0.446 0.000 3/43200 50.0 0.937 0.685 0.939 0.000 0.366 0.000 3/43200 60.0 0.811 0.603 0.816 0.000 0.315 0.000 3/43200 70.0 0.724 0.542 0.729 0.000 0.280 0.000 3/43200 80.0 0.657 0.493 0.661 0.000 0.253 0.000 3/43200 90.0 0.605 0.453 0.607 0.000 0.232 0.000 3/43200 100.0 0.562 0.419 0.562 0.000 0.216 0.000 3/43200 110.0 0.527 0.390 0.524 0.000 0.203 0.000 3/43200 120.0 0.497 0.364 0.492 0.000 0.193 0.000 3/43200 130.0 0.472 0.343 0.465 0.000 0.185 0.000 3/43200 140.0 0.451 0.324 0.442 0.000 0.178 0.000 3/43200 150.0 0.434 0.307 0.421 0.000 0.173 0.000 3/43200 160.0 0.418 0.293 0.404 0.000 0.168 0.000 3/43200 170.0 0.405 0.280 0.388 0.000 0.164 0.000 3/43200 180.0 0.393 0.269 0.375 0.000 0.161 0.000 3/43200 190.0 0.383 0.260 0.363 0.000 0.158 0.000 3/43200 200.0 0.373 0.251 0.352 0.000 0.155 0.000 3/43200 210.0 0.365 0.244 0.343 0.000 0.152 0.000 3/43200 220.0 0.357 0.237 0.335 0.000 0.150 0.000 3/43200 230.0 0.350 0.232 0.327 0.000 0.147 0.000 3/43200 240.0 0.343 0.227 0.320 0.000 0.145 0.000 3/43200 250.0 0.337 0.223 0.314 0.000 0.143 0.000 3/43200 260.0 0.331 0.219 0.308 0.000 0.140 0.000 3/43200 270.0 0.325 0.216 0.302 0.000 0.138 0.000 3/43200 280.0 0.320 0.213 0.297 0.000 0.136 0.000 3/43200 290.0 0.315 0.210 0.293 0.000 0.134 0.000 3/43200 300.0 0.310 0.208 0.288 0.000 0.131 0.000 3/43200 310.0 0.306 0.206 0.284 0.000 0.129 0.000 3/43200 320.0 0.301 0.204 0.280 0.000 0.127 0.000 3/43200 330.0 0.297 0.202 0.276 0.000 0.125 0.000 3/43200 340.0 0.293 0.200 0.273 0.000 0.123 0.000 3/43200 350.0 0.288 0.198 0.269 0.000 0.121 0.000 3/43200 360.0 0.284 0.197 0.266 0.000 0.119 0.000 3/43200 370.0 0.281 0.196 0.263 0.000 0.117 0.000 3/43200 380.0 0.277 0.194 0.259 0.000 0.115 0.000 3/43200 390.0 0.273 0.193 0.256 0.000 0.113 0.000 3/43200 400.0 0.269 0.191 0.253 0.000 0.111 0.000 3/43200 410.0 0.266 0.190 0.250 0.000 0.110 0.000 3/43200 420.0 0.262 0.189 0.248 0.000 0.108 0.000 3/43200 430.0 0.259 0.187 0.245 0.000 0.106 0.000 3/43200 440.0 0.256 0.186 0.242 0.000 0.104 0.000 3/43200 450.0 0.252 0.185 0.239 0.000 0.103 0.000 3/43200 460.0 0.249 0.184 0.237 0.000 0.101 0.000 3/43200 470.0 0.246 0.182 0.234 0.000 0.099 0.000 3/43200 480.0 0.243 0.181 0.231 0.000 0.098 0.000 3/43200 490.0 0.240 0.180 0.229 0.000 0.096 0.000 3/43200 500.0 0.237 0.178 0.226 0.000 0.095 0.000 3/43200 510.0 0.234 0.177 0.224 0.000 0.094 0.000 3/43200 520.0 0.231 0.176 0.221 0.000 0.092 0.000 3/43200 530.0 0.229 0.174 0.219 0.000 0.091 0.000 3/43200 540.0 0.226 0.173 0.217 0.000 0.089 0.000 3/43200 550.0 0.223 0.172 0.214 0.000 0.088 0.000 3/43200 560.0 0.220 0.170 0.212 0.000 0.087 0.000 3/43200 570.0 0.218 0.169 0.210 0.000 0.086 0.000 3/43200 580.0 0.215 0.168 0.208 0.000 0.084 0.000 3/43200 590.0 0.213 0.166 0.205 0.000 0.083 0.000 3/43200 600.0 0.210 0.165 0.203 0.000 0.082 0.000 3/43200 610.0 0.208 0.164 0.201 0.000 0.081 0.000 3/43200 620.0 0.206 0.162 0.199 0.000 0.080 0.000 3/43200 630.0 0.203 0.161 0.197 0.000 0.079 0.000 3/43200 640.0 0.201 0.160 0.195 0.000 0.078 0.000 3/43200 650.0 0.199 0.159 0.193 0.000 0.077 0.000 3/43200 660.0 0.197 0.157 0.191 0.000 0.076 0.000 3/43200 670.0 0.194 0.156 0.189 0.000 0.075 0.000 3/43200 680.0 0.192 0.155 0.187 0.000 0.074 0.000 3/43200 690.0 0.190 0.153 0.185 0.000 0.073 0.000 3/43200 700.0 0.188 0.152 0.184 0.000 0.072 0.000 3/43200 710.0 0.186 0.151 0.182 0.000 0.071 0.000 3/43200 720.0 0.184 0.150 0.180 0.000 0.070 0.000 3/43200 730.0 0.182 0.148 0.178 0.000 0.069 0.000 3/43200 740.0 0.180 0.147 0.177 0.000 0.069 0.000 3/43200 750.0 0.179 0.146 0.175 0.000 0.068 0.000 3/43200 760.0 0.177 0.145 0.173 0.000 0.067 0.000 3/43200 770.0 0.175 0.144 0.171 0.000 0.066 0.000 3/43200 780.0 0.173 0.143 0.170 0.000 0.065 0.000 3/43200 790.0 0.172 0.141 0.168 0.000 0.065 0.000 3/43200 800.0 0.170 0.140 0.167 0.000 0.064 0.000 3/43200 810.0 0.168 0.139 0.165 0.000 0.063 0.000 3/43200 820.0 0.166 0.138 0.164 0.000 0.063 0.000 3/43200 830.0 0.165 0.137 0.162 0.000 0.062 0.000 3/43200 840.0 0.163 0.136 0.161 0.000 0.061 0.000 3/43200 850.0 0.162 0.135 0.159 0.000 0.061 0.000 3/43200 860.0 0.160 0.134 0.158 0.000 0.060 0.000 3/43200 870.0 0.159 0.133 0.156 0.000 0.059 0.000 3/43200 880.0 0.157 0.132 0.155 0.000 0.059 0.000 3/43200 890.0 0.156 0.130 0.154 0.000 0.058 0.000 3/43200 900.0 0.154 0.129 0.152 0.000 0.057 0.000 3/43200 910.0 0.153 0.128 0.151 0.000 0.057 0.000 3/43200 920.0 0.151 0.127 0.150 0.000 0.056 0.000 3/43200 930.0 0.150 0.126 0.148 0.000 0.056 0.000 3/43200 940.0 0.149 0.125 0.147 0.000 0.055 0.000 3/43200 950.0 0.147 0.125 0.146 0.000 0.055 0.000 3/43200 960.0 0.146 0.124 0.145 0.000 0.054 0.000 3/43200 970.0 0.145 0.123 0.143 0.000 0.054 0.000 3/43200 980.0 0.144 0.122 0.142 0.000 0.053 0.000 3/43200 990.0 0.142 0.121 0.141 0.000 0.053 0.000 3/43200 1000.0 0.141 0.120 0.140 0.000 0.052 0.000 3/43200 Thermal conductivity related properties were written into "kappa-m10104.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:10:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|