----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:17:18]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.788834313794154 0.000000000000000 0.000000000000000 b 0.000000000000000 16.868335720000001 0.000000000000000 c -3.218933434258513 0.000000000000000 6.209298516936899 Atomic positions (fractional): *1 Na 0.15745616032455 0.96106754167835 0.31007523058161 22.990 2 Na 0.84254383967545 0.46106754167835 0.18992476941839 22.990 *3 Na 0.42571369835769 0.88404285206312 0.88307488917065 22.990 4 Na 0.57428630164231 0.38404285206312 0.61692511082935 22.990 5 Na 0.57428630164231 0.11595714793688 0.11692511082935 22.990 6 Na 0.42571369835769 0.61595714793688 0.38307488917065 22.990 7 Na 0.84254383967545 0.03893245832165 0.68992476941839 22.990 8 Na 0.15745616032455 0.53893245832165 0.81007523058161 22.990 *9 Cu 0.10642752145313 0.78566791693630 0.09279552015840 63.546 10 Cu 0.10642752145313 0.71433208306370 0.59279552015840 63.546 11 Cu 0.89357247854687 0.21433208306370 0.90720447984160 63.546 12 Cu 0.89357247854687 0.28566791693630 0.40720447984160 63.546 *13 Sb 0.74529135051008 0.82527319544940 0.51774024862959 121.760 14 Sb 0.25470864948992 0.17472680455060 0.48225975137041 121.760 15 Sb 0.74529135051008 0.67472680455060 0.01774024862959 121.760 16 Sb 0.25470864948992 0.32527319544939 0.98225975137041 121.760 *17 S 0.28600590942194 0.80165845304308 0.44994954720675 32.065 *18 S 0.34144445454420 0.05618255567963 0.69632512754988 32.065 *19 S 0.08623486195129 0.38759585347238 0.62767764662973 32.065 20 S 0.34144445454420 0.44381744432037 0.19632512754988 32.065 21 S 0.28600590942194 0.69834154695692 0.94994954720675 32.065 22 S 0.71399409057806 0.30165845304308 0.05005045279325 32.065 23 S 0.91376513804871 0.88759585347238 0.87232235337027 32.065 24 S 0.65855554545580 0.94381744432037 0.30367487245012 32.065 25 S 0.65855554545580 0.55618255567963 0.80367487245012 32.065 26 S 0.71399409057806 0.19834154695692 0.55005045279325 32.065 27 S 0.08623486195129 0.11240414652762 0.12767764662973 32.065 28 S 0.91376513804871 0.61240414652762 0.37232235337027 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.788834313794154 0.000000000000000 0.000000000000000 b 0.000000000000000 16.868335720000001 0.000000000000000 c -3.218933434258513 0.000000000000000 6.209298516936899 Atomic positions (fractional): *1 Na 0.15745616032455 0.96106754167835 0.31007523058161 22.990 > 1 2 Na 0.84254383967545 0.46106754167835 0.18992476941839 22.990 > 2 *3 Na 0.42571369835769 0.88404285206312 0.88307488917065 22.990 > 3 4 Na 0.57428630164231 0.38404285206312 0.61692511082935 22.990 > 4 5 Na 0.57428630164231 0.11595714793688 0.11692511082935 22.990 > 5 6 Na 0.42571369835769 0.61595714793688 0.38307488917065 22.990 > 6 7 Na 0.84254383967545 0.03893245832165 0.68992476941839 22.990 > 7 8 Na 0.15745616032455 0.53893245832165 0.81007523058161 22.990 > 8 *9 Cu 0.10642752145313 0.78566791693630 0.09279552015840 63.546 > 9 10 Cu 0.10642752145313 0.71433208306370 0.59279552015840 63.546 > 10 11 Cu 0.89357247854687 0.21433208306370 0.90720447984160 63.546 > 11 12 Cu 0.89357247854687 0.28566791693630 0.40720447984160 63.546 > 12 *13 Sb 0.74529135051008 0.82527319544940 0.51774024862959 121.760 > 13 14 Sb 0.25470864948992 0.17472680455060 0.48225975137041 121.760 > 14 15 Sb 0.74529135051008 0.67472680455060 0.01774024862959 121.760 > 15 16 Sb 0.25470864948992 0.32527319544939 0.98225975137041 121.760 > 16 *17 S 0.28600590942194 0.80165845304308 0.44994954720675 32.065 > 17 *18 S 0.34144445454420 0.05618255567963 0.69632512754988 32.065 > 18 *19 S 0.08623486195129 0.38759585347238 0.62767764662973 32.065 > 19 20 S 0.34144445454420 0.44381744432037 0.19632512754988 32.065 > 20 21 S 0.28600590942194 0.69834154695692 0.94994954720675 32.065 > 21 22 S 0.71399409057806 0.30165845304308 0.05005045279325 32.065 > 22 23 S 0.91376513804871 0.88759585347238 0.87232235337027 32.065 > 23 24 S 0.65855554545580 0.94381744432037 0.30367487245012 32.065 > 24 25 S 0.65855554545580 0.55618255567963 0.80367487245012 32.065 > 25 26 S 0.71399409057806 0.19834154695692 0.55005045279325 32.065 > 26 27 S 0.08623486195129 0.11240414652762 0.12767764662973 32.065 > 27 28 S 0.91376513804871 0.61240414652762 0.37232235337027 32.065 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.577668627588308 0.000000000000000 0.000000000000000 b 0.000000000000000 16.868335720000001 0.000000000000000 c -6.437866868517026 0.000000000000000 12.418597033873798 Atomic positions (fractional): *1 Na 0.07872808016228 0.96106754167835 0.15503761529081 22.990 > 1 2 Na 0.57872808016228 0.96106754167835 0.15503761529081 22.990 > 1 3 Na 0.07872808016228 0.96106754167835 0.65503761529081 22.990 > 1 4 Na 0.57872808016228 0.96106754167835 0.65503761529081 22.990 > 1 5 Na 0.42127191983772 0.46106754167835 0.09496238470919 22.990 > 2 6 Na 0.92127191983772 0.46106754167835 0.09496238470919 22.990 > 2 7 Na 0.42127191983772 0.46106754167835 0.59496238470919 22.990 > 2 8 Na 0.92127191983772 0.46106754167835 0.59496238470919 22.990 > 2 *9 Na 0.21285684917884 0.88404285206312 0.44153744458532 22.990 > 3 10 Na 0.71285684917884 0.88404285206312 0.44153744458532 22.990 > 3 11 Na 0.21285684917884 0.88404285206312 0.94153744458532 22.990 > 3 12 Na 0.71285684917884 0.88404285206312 0.94153744458532 22.990 > 3 13 Na 0.28714315082116 0.38404285206312 0.30846255541468 22.990 > 4 14 Na 0.78714315082116 0.38404285206312 0.30846255541468 22.990 > 4 15 Na 0.28714315082116 0.38404285206312 0.80846255541468 22.990 > 4 16 Na 0.78714315082116 0.38404285206312 0.80846255541468 22.990 > 4 17 Na 0.28714315082116 0.11595714793688 0.05846255541468 22.990 > 5 18 Na 0.78714315082116 0.11595714793688 0.05846255541468 22.990 > 5 19 Na 0.28714315082116 0.11595714793688 0.55846255541468 22.990 > 5 20 Na 0.78714315082116 0.11595714793688 0.55846255541468 22.990 > 5 21 Na 0.21285684917884 0.61595714793688 0.19153744458532 22.990 > 6 22 Na 0.71285684917884 0.61595714793688 0.19153744458532 22.990 > 6 23 Na 0.21285684917884 0.61595714793688 0.69153744458532 22.990 > 6 24 Na 0.71285684917884 0.61595714793688 0.69153744458532 22.990 > 6 25 Na 0.42127191983772 0.03893245832165 0.34496238470919 22.990 > 7 26 Na 0.92127191983772 0.03893245832165 0.34496238470919 22.990 > 7 27 Na 0.42127191983772 0.03893245832165 0.84496238470919 22.990 > 7 28 Na 0.92127191983772 0.03893245832165 0.84496238470919 22.990 > 7 29 Na 0.07872808016228 0.53893245832165 0.40503761529081 22.990 > 8 30 Na 0.57872808016228 0.53893245832165 0.40503761529081 22.990 > 8 31 Na 0.07872808016228 0.53893245832165 0.90503761529081 22.990 > 8 32 Na 0.57872808016228 0.53893245832165 0.90503761529081 22.990 > 8 *33 Cu 0.05321376072656 0.78566791693630 0.04639776007920 63.546 > 9 34 Cu 0.55321376072656 0.78566791693630 0.04639776007920 63.546 > 9 35 Cu 0.05321376072656 0.78566791693630 0.54639776007920 63.546 > 9 36 Cu 0.55321376072656 0.78566791693630 0.54639776007920 63.546 > 9 37 Cu 0.05321376072656 0.71433208306370 0.29639776007920 63.546 > 10 38 Cu 0.55321376072656 0.71433208306370 0.29639776007920 63.546 > 10 39 Cu 0.05321376072656 0.71433208306370 0.79639776007920 63.546 > 10 40 Cu 0.55321376072656 0.71433208306370 0.79639776007920 63.546 > 10 41 Cu 0.44678623927344 0.21433208306370 0.45360223992080 63.546 > 11 42 Cu 0.94678623927344 0.21433208306370 0.45360223992080 63.546 > 11 43 Cu 0.44678623927344 0.21433208306370 0.95360223992080 63.546 > 11 44 Cu 0.94678623927344 0.21433208306370 0.95360223992080 63.546 > 11 45 Cu 0.44678623927344 0.28566791693630 0.20360223992080 63.546 > 12 46 Cu 0.94678623927344 0.28566791693630 0.20360223992080 63.546 > 12 47 Cu 0.44678623927344 0.28566791693630 0.70360223992080 63.546 > 12 48 Cu 0.94678623927344 0.28566791693630 0.70360223992080 63.546 > 12 *49 Sb 0.37264567525504 0.82527319544940 0.25887012431480 121.760 > 13 50 Sb 0.87264567525504 0.82527319544940 0.25887012431480 121.760 > 13 51 Sb 0.37264567525504 0.82527319544940 0.75887012431480 121.760 > 13 52 Sb 0.87264567525504 0.82527319544940 0.75887012431480 121.760 > 13 53 Sb 0.12735432474496 0.17472680455060 0.24112987568520 121.760 > 14 54 Sb 0.62735432474496 0.17472680455060 0.24112987568520 121.760 > 14 55 Sb 0.12735432474496 0.17472680455060 0.74112987568520 121.760 > 14 56 Sb 0.62735432474496 0.17472680455060 0.74112987568520 121.760 > 14 57 Sb 0.37264567525504 0.67472680455060 0.00887012431480 121.760 > 15 58 Sb 0.87264567525504 0.67472680455060 0.00887012431480 121.760 > 15 59 Sb 0.37264567525504 0.67472680455060 0.50887012431480 121.760 > 15 60 Sb 0.87264567525504 0.67472680455060 0.50887012431480 121.760 > 15 61 Sb 0.12735432474496 0.32527319544939 0.49112987568520 121.760 > 16 62 Sb 0.62735432474496 0.32527319544939 0.49112987568520 121.760 > 16 63 Sb 0.12735432474496 0.32527319544939 0.99112987568520 121.760 > 16 64 Sb 0.62735432474496 0.32527319544939 0.99112987568520 121.760 > 16 *65 S 0.14300295471097 0.80165845304308 0.22497477360338 32.065 > 17 66 S 0.64300295471097 0.80165845304308 0.22497477360338 32.065 > 17 67 S 0.14300295471097 0.80165845304308 0.72497477360338 32.065 > 17 68 S 0.64300295471097 0.80165845304308 0.72497477360338 32.065 > 17 *69 S 0.17072222727210 0.05618255567963 0.34816256377494 32.065 > 18 70 S 0.67072222727210 0.05618255567963 0.34816256377494 32.065 > 18 71 S 0.17072222727210 0.05618255567963 0.84816256377494 32.065 > 18 72 S 0.67072222727210 0.05618255567963 0.84816256377494 32.065 > 18 *73 S 0.04311743097564 0.38759585347238 0.31383882331487 32.065 > 19 74 S 0.54311743097564 0.38759585347238 0.31383882331487 32.065 > 19 75 S 0.04311743097564 0.38759585347238 0.81383882331487 32.065 > 19 76 S 0.54311743097564 0.38759585347238 0.81383882331487 32.065 > 19 77 S 0.17072222727210 0.44381744432037 0.09816256377494 32.065 > 20 78 S 0.67072222727210 0.44381744432037 0.09816256377494 32.065 > 20 79 S 0.17072222727210 0.44381744432037 0.59816256377494 32.065 > 20 80 S 0.67072222727210 0.44381744432037 0.59816256377494 32.065 > 20 81 S 0.14300295471097 0.69834154695692 0.47497477360338 32.065 > 21 82 S 0.64300295471097 0.69834154695692 0.47497477360338 32.065 > 21 83 S 0.14300295471097 0.69834154695692 0.97497477360338 32.065 > 21 84 S 0.64300295471097 0.69834154695692 0.97497477360338 32.065 > 21 85 S 0.35699704528903 0.30165845304308 0.02502522639662 32.065 > 22 86 S 0.85699704528903 0.30165845304308 0.02502522639662 32.065 > 22 87 S 0.35699704528903 0.30165845304308 0.52502522639662 32.065 > 22 88 S 0.85699704528903 0.30165845304308 0.52502522639662 32.065 > 22 89 S 0.45688256902436 0.88759585347238 0.43616117668513 32.065 > 23 90 S 0.95688256902436 0.88759585347238 0.43616117668513 32.065 > 23 91 S 0.45688256902436 0.88759585347238 0.93616117668513 32.065 > 23 92 S 0.95688256902436 0.88759585347238 0.93616117668513 32.065 > 23 93 S 0.32927777272790 0.94381744432037 0.15183743622506 32.065 > 24 94 S 0.82927777272790 0.94381744432037 0.15183743622506 32.065 > 24 95 S 0.32927777272790 0.94381744432037 0.65183743622506 32.065 > 24 96 S 0.82927777272790 0.94381744432037 0.65183743622506 32.065 > 24 97 S 0.32927777272790 0.55618255567963 0.40183743622506 32.065 > 25 98 S 0.82927777272790 0.55618255567963 0.40183743622506 32.065 > 25 99 S 0.32927777272790 0.55618255567963 0.90183743622506 32.065 > 25 100 S 0.82927777272790 0.55618255567963 0.90183743622506 32.065 > 25 101 S 0.35699704528903 0.19834154695692 0.27502522639662 32.065 > 26 102 S 0.85699704528903 0.19834154695692 0.27502522639662 32.065 > 26 103 S 0.35699704528903 0.19834154695692 0.77502522639662 32.065 > 26 104 S 0.85699704528903 0.19834154695692 0.77502522639662 32.065 > 26 105 S 0.04311743097564 0.11240414652762 0.06383882331487 32.065 > 27 106 S 0.54311743097564 0.11240414652762 0.06383882331487 32.065 > 27 107 S 0.04311743097564 0.11240414652762 0.56383882331487 32.065 > 27 108 S 0.54311743097564 0.11240414652762 0.56383882331487 32.065 > 27 109 S 0.45688256902436 0.61240414652762 0.18616117668513 32.065 > 28 110 S 0.95688256902436 0.61240414652762 0.18616117668513 32.065 > 28 111 S 0.45688256902436 0.61240414652762 0.68616117668513 32.065 > 28 112 S 0.95688256902436 0.61240414652762 0.68616117668513 32.065 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.6835745 0.0000000 0.5156482 0.0000000 5.8105403 0.0000000 0.5156566 0.0000000 6.6535338 -------------------------- Born effective charges -------------------------- 1 Na 1.1346819 -0.1562438 0.0499699 -0.0307885 1.5433446 0.2608007 -0.0030186 0.2713993 1.0345921 2 Na 1.1346819 0.1562438 0.0499699 0.0307885 1.5433446 -0.2608007 -0.0030186 -0.2713993 1.0345921 3 Na 1.3550445 -0.0763338 -0.1139077 0.0328337 1.2863113 -0.1758614 -0.0437129 0.0674964 1.2771861 4 Na 1.3550445 0.0763338 -0.1139077 -0.0328337 1.2863113 0.1758614 -0.0437129 -0.0674964 1.2771861 5 Na 1.3550445 -0.0763338 -0.1139077 0.0328337 1.2863113 -0.1758614 -0.0437129 0.0674964 1.2771861 6 Na 1.3550445 0.0763338 -0.1139077 -0.0328337 1.2863113 0.1758614 -0.0437129 -0.0674964 1.2771861 7 Na 1.1346819 -0.1562438 0.0499699 -0.0307885 1.5433446 0.2608007 -0.0030186 0.2713993 1.0345921 8 Na 1.1346819 0.1562438 0.0499699 0.0307885 1.5433446 -0.2608007 -0.0030186 -0.2713993 1.0345921 9 Cu 1.1197489 0.1315955 0.0984694 -0.0759065 0.5210823 0.0203879 -0.1198194 0.1181708 0.5249076 10 Cu 1.1197489 -0.1315955 0.0984694 0.0759065 0.5210823 -0.0203879 -0.1198194 -0.1181708 0.5249076 11 Cu 1.1197489 0.1315955 0.0984694 -0.0759065 0.5210823 0.0203879 -0.1198194 0.1181708 0.5249076 12 Cu 1.1197489 -0.1315955 0.0984694 0.0759065 0.5210823 -0.0203879 -0.1198194 -0.1181708 0.5249076 13 Sb 3.2423147 -0.0424038 0.1476807 0.4782492 1.8759742 -0.3066142 0.4366886 0.0846817 2.6628037 14 Sb 3.2423147 -0.0424038 0.1476807 0.4782492 1.8759742 -0.3066142 0.4366886 0.0846817 2.6628037 15 Sb 3.2423147 0.0424038 0.1476807 -0.4782492 1.8759742 0.3066142 0.4366886 -0.0846817 2.6628037 16 Sb 3.2423147 0.0424038 0.1476807 -0.4782492 1.8759742 0.3066142 0.4366886 -0.0846817 2.6628037 17 S -4.5834844 -0.0225276 -0.2390804 -0.3620609 -0.8426227 -0.1370007 -0.4556654 -0.2376561 -1.2147883 18 S -1.2337305 0.0140846 0.0415876 -0.1812651 -2.7648698 0.7467713 0.0627206 0.7138955 -1.8449216 19 S -1.0345751 0.0261881 0.0152806 0.0600012 -1.6192199 0.2265456 0.1228071 0.8082812 -2.4397797 20 S -1.2337305 -0.0140846 0.0415876 0.1812651 -2.7648698 -0.7467713 0.0627206 -0.7138955 -1.8449216 21 S -4.5834844 0.0225276 -0.2390804 0.3620609 -0.8426227 0.1370007 -0.4556654 0.2376561 -1.2147883 22 S -4.5834844 0.0225276 -0.2390804 0.3620609 -0.8426227 0.1370007 -0.4556654 0.2376561 -1.2147883 23 S -1.0345751 -0.0261881 0.0152806 -0.0600012 -1.6192199 -0.2265456 0.1228071 -0.8082812 -2.4397797 24 S -1.2337305 0.0140846 0.0415876 -0.1812651 -2.7648698 0.7467713 0.0627206 0.7138955 -1.8449216 25 S -1.2337305 -0.0140846 0.0415876 0.1812651 -2.7648698 -0.7467713 0.0627206 -0.7138955 -1.8449216 26 S -4.5834844 -0.0225276 -0.2390804 -0.3620609 -0.8426227 -0.1370007 -0.4556654 -0.2376561 -1.2147883 27 S -1.0345751 -0.0261881 0.0152806 -0.0600012 -1.6192199 -0.2265456 0.1228071 -0.8082812 -2.4397797 28 S -1.0345751 0.0261881 0.0152806 0.0600012 -1.6192199 0.2265456 0.1228071 0.8082812 -2.4397797 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 271 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 271 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 13), data: (784, 27) @ (27, 13) |-- (284, 271), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 13), data: (784, 27) @ (27, 13) |-- (284, 271), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 880 - Time: 1.482 Solver_block: 200 / 880 - Time: 1.438 Solver_block: 300 / 880 - Time: 1.432 Solver_block: 400 / 880 - Time: 1.463 Solver_block: 500 / 880 - Time: 1.444 Solver_block: 600 / 880 - Time: 1.455 Solver_block: 700 / 880 - Time: 1.461 Solver_block: 800 / 880 - Time: 1.449 Solver_block: 880 / 880 - Time: 1.256 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.096 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 271 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 271 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 13), data: (784, 27) @ (27, 13) |-- (284, 271), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 13), data: (784, 27) @ (27, 13) |-- (284, 271), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:18:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:18:15]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.788834313794154 0.000000000000000 0.000000000000000 b 0.000000000000000 16.868335720000001 0.000000000000000 c -3.218933434258513 0.000000000000000 6.209298516936899 Atomic positions (fractional): 1 Na 0.15745616032455 0.96106754167835 0.31007523058161 22.990 2 Na 0.84254383967545 0.46106754167835 0.18992476941839 22.990 3 Na 0.42571369835769 0.88404285206312 0.88307488917065 22.990 4 Na 0.57428630164231 0.38404285206312 0.61692511082935 22.990 5 Na 0.57428630164231 0.11595714793688 0.11692511082935 22.990 6 Na 0.42571369835769 0.61595714793688 0.38307488917065 22.990 7 Na 0.84254383967545 0.03893245832165 0.68992476941839 22.990 8 Na 0.15745616032455 0.53893245832165 0.81007523058161 22.990 9 Cu 0.10642752145313 0.78566791693630 0.09279552015840 63.546 10 Cu 0.10642752145313 0.71433208306370 0.59279552015840 63.546 11 Cu 0.89357247854687 0.21433208306370 0.90720447984160 63.546 12 Cu 0.89357247854687 0.28566791693630 0.40720447984160 63.546 13 Sb 0.74529135051008 0.82527319544940 0.51774024862959 121.760 14 Sb 0.25470864948992 0.17472680455060 0.48225975137041 121.760 15 Sb 0.74529135051008 0.67472680455060 0.01774024862959 121.760 16 Sb 0.25470864948992 0.32527319544939 0.98225975137041 121.760 17 S 0.28600590942194 0.80165845304308 0.44994954720675 32.065 18 S 0.34144445454420 0.05618255567963 0.69632512754988 32.065 19 S 0.08623486195129 0.38759585347238 0.62767764662973 32.065 20 S 0.34144445454420 0.44381744432037 0.19632512754988 32.065 21 S 0.28600590942194 0.69834154695692 0.94994954720675 32.065 22 S 0.71399409057806 0.30165845304308 0.05005045279325 32.065 23 S 0.91376513804871 0.88759585347238 0.87232235337027 32.065 24 S 0.65855554545580 0.94381744432037 0.30367487245012 32.065 25 S 0.65855554545580 0.55618255567963 0.80367487245012 32.065 26 S 0.71399409057806 0.19834154695692 0.55005045279325 32.065 27 S 0.08623486195129 0.11240414652762 0.12767764662973 32.065 28 S 0.91376513804871 0.61240414652762 0.37232235337027 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.577668627588308 0.000000000000000 0.000000000000000 b 0.000000000000000 16.868335720000001 0.000000000000000 c -6.437866868517026 0.000000000000000 12.418597033873798 Atomic positions (fractional): 1 Na 0.07872808016228 0.96106754167835 0.15503761529081 22.990 > 1 2 Na 0.57872808016228 0.96106754167835 0.15503761529081 22.990 > 1 3 Na 0.07872808016228 0.96106754167835 0.65503761529081 22.990 > 1 4 Na 0.57872808016228 0.96106754167835 0.65503761529081 22.990 > 1 5 Na 0.42127191983772 0.46106754167835 0.09496238470919 22.990 > 5 6 Na 0.92127191983772 0.46106754167835 0.09496238470919 22.990 > 5 7 Na 0.42127191983772 0.46106754167835 0.59496238470919 22.990 > 5 8 Na 0.92127191983772 0.46106754167835 0.59496238470919 22.990 > 5 9 Na 0.21285684917884 0.88404285206312 0.44153744458532 22.990 > 9 10 Na 0.71285684917884 0.88404285206312 0.44153744458532 22.990 > 9 11 Na 0.21285684917884 0.88404285206312 0.94153744458532 22.990 > 9 12 Na 0.71285684917884 0.88404285206312 0.94153744458532 22.990 > 9 13 Na 0.28714315082116 0.38404285206312 0.30846255541468 22.990 > 13 14 Na 0.78714315082116 0.38404285206312 0.30846255541468 22.990 > 13 15 Na 0.28714315082116 0.38404285206312 0.80846255541468 22.990 > 13 16 Na 0.78714315082116 0.38404285206312 0.80846255541468 22.990 > 13 17 Na 0.28714315082116 0.11595714793688 0.05846255541468 22.990 > 17 18 Na 0.78714315082116 0.11595714793688 0.05846255541468 22.990 > 17 19 Na 0.28714315082116 0.11595714793688 0.55846255541468 22.990 > 17 20 Na 0.78714315082116 0.11595714793688 0.55846255541468 22.990 > 17 21 Na 0.21285684917884 0.61595714793688 0.19153744458532 22.990 > 21 22 Na 0.71285684917884 0.61595714793688 0.19153744458532 22.990 > 21 23 Na 0.21285684917884 0.61595714793688 0.69153744458532 22.990 > 21 24 Na 0.71285684917884 0.61595714793688 0.69153744458532 22.990 > 21 25 Na 0.42127191983772 0.03893245832165 0.34496238470919 22.990 > 25 26 Na 0.92127191983772 0.03893245832165 0.34496238470919 22.990 > 25 27 Na 0.42127191983772 0.03893245832165 0.84496238470919 22.990 > 25 28 Na 0.92127191983772 0.03893245832165 0.84496238470919 22.990 > 25 29 Na 0.07872808016228 0.53893245832165 0.40503761529081 22.990 > 29 30 Na 0.57872808016228 0.53893245832165 0.40503761529081 22.990 > 29 31 Na 0.07872808016228 0.53893245832165 0.90503761529081 22.990 > 29 32 Na 0.57872808016228 0.53893245832165 0.90503761529081 22.990 > 29 33 Cu 0.05321376072656 0.78566791693630 0.04639776007920 63.546 > 33 34 Cu 0.55321376072656 0.78566791693630 0.04639776007920 63.546 > 33 35 Cu 0.05321376072656 0.78566791693630 0.54639776007920 63.546 > 33 36 Cu 0.55321376072656 0.78566791693630 0.54639776007920 63.546 > 33 37 Cu 0.05321376072656 0.71433208306370 0.29639776007920 63.546 > 37 38 Cu 0.55321376072656 0.71433208306370 0.29639776007920 63.546 > 37 39 Cu 0.05321376072656 0.71433208306370 0.79639776007920 63.546 > 37 40 Cu 0.55321376072656 0.71433208306370 0.79639776007920 63.546 > 37 41 Cu 0.44678623927344 0.21433208306370 0.45360223992080 63.546 > 41 42 Cu 0.94678623927344 0.21433208306370 0.45360223992080 63.546 > 41 43 Cu 0.44678623927344 0.21433208306370 0.95360223992080 63.546 > 41 44 Cu 0.94678623927344 0.21433208306370 0.95360223992080 63.546 > 41 45 Cu 0.44678623927344 0.28566791693630 0.20360223992080 63.546 > 45 46 Cu 0.94678623927344 0.28566791693630 0.20360223992080 63.546 > 45 47 Cu 0.44678623927344 0.28566791693630 0.70360223992080 63.546 > 45 48 Cu 0.94678623927344 0.28566791693630 0.70360223992080 63.546 > 45 49 Sb 0.37264567525504 0.82527319544940 0.25887012431480 121.760 > 49 50 Sb 0.87264567525504 0.82527319544940 0.25887012431480 121.760 > 49 51 Sb 0.37264567525504 0.82527319544940 0.75887012431480 121.760 > 49 52 Sb 0.87264567525504 0.82527319544940 0.75887012431480 121.760 > 49 53 Sb 0.12735432474496 0.17472680455060 0.24112987568520 121.760 > 53 54 Sb 0.62735432474496 0.17472680455060 0.24112987568520 121.760 > 53 55 Sb 0.12735432474496 0.17472680455060 0.74112987568520 121.760 > 53 56 Sb 0.62735432474496 0.17472680455060 0.74112987568520 121.760 > 53 57 Sb 0.37264567525504 0.67472680455060 0.00887012431480 121.760 > 57 58 Sb 0.87264567525504 0.67472680455060 0.00887012431480 121.760 > 57 59 Sb 0.37264567525504 0.67472680455060 0.50887012431480 121.760 > 57 60 Sb 0.87264567525504 0.67472680455060 0.50887012431480 121.760 > 57 61 Sb 0.12735432474496 0.32527319544939 0.49112987568520 121.760 > 61 62 Sb 0.62735432474496 0.32527319544939 0.49112987568520 121.760 > 61 63 Sb 0.12735432474496 0.32527319544939 0.99112987568520 121.760 > 61 64 Sb 0.62735432474496 0.32527319544939 0.99112987568520 121.760 > 61 65 S 0.14300295471097 0.80165845304308 0.22497477360338 32.065 > 65 66 S 0.64300295471097 0.80165845304308 0.22497477360338 32.065 > 65 67 S 0.14300295471097 0.80165845304308 0.72497477360338 32.065 > 65 68 S 0.64300295471097 0.80165845304308 0.72497477360338 32.065 > 65 69 S 0.17072222727210 0.05618255567963 0.34816256377494 32.065 > 69 70 S 0.67072222727210 0.05618255567963 0.34816256377494 32.065 > 69 71 S 0.17072222727210 0.05618255567963 0.84816256377494 32.065 > 69 72 S 0.67072222727210 0.05618255567963 0.84816256377494 32.065 > 69 73 S 0.04311743097564 0.38759585347238 0.31383882331487 32.065 > 73 74 S 0.54311743097564 0.38759585347238 0.31383882331487 32.065 > 73 75 S 0.04311743097564 0.38759585347238 0.81383882331487 32.065 > 73 76 S 0.54311743097564 0.38759585347238 0.81383882331487 32.065 > 73 77 S 0.17072222727210 0.44381744432037 0.09816256377494 32.065 > 77 78 S 0.67072222727210 0.44381744432037 0.09816256377494 32.065 > 77 79 S 0.17072222727210 0.44381744432037 0.59816256377494 32.065 > 77 80 S 0.67072222727210 0.44381744432037 0.59816256377494 32.065 > 77 81 S 0.14300295471097 0.69834154695692 0.47497477360338 32.065 > 81 82 S 0.64300295471097 0.69834154695692 0.47497477360338 32.065 > 81 83 S 0.14300295471097 0.69834154695692 0.97497477360338 32.065 > 81 84 S 0.64300295471097 0.69834154695692 0.97497477360338 32.065 > 81 85 S 0.35699704528903 0.30165845304308 0.02502522639662 32.065 > 85 86 S 0.85699704528903 0.30165845304308 0.02502522639662 32.065 > 85 87 S 0.35699704528903 0.30165845304308 0.52502522639662 32.065 > 85 88 S 0.85699704528903 0.30165845304308 0.52502522639662 32.065 > 85 89 S 0.45688256902436 0.88759585347238 0.43616117668513 32.065 > 89 90 S 0.95688256902436 0.88759585347238 0.43616117668513 32.065 > 89 91 S 0.45688256902436 0.88759585347238 0.93616117668513 32.065 > 89 92 S 0.95688256902436 0.88759585347238 0.93616117668513 32.065 > 89 93 S 0.32927777272790 0.94381744432037 0.15183743622506 32.065 > 93 94 S 0.82927777272790 0.94381744432037 0.15183743622506 32.065 > 93 95 S 0.32927777272790 0.94381744432037 0.65183743622506 32.065 > 93 96 S 0.82927777272790 0.94381744432037 0.65183743622506 32.065 > 93 97 S 0.32927777272790 0.55618255567963 0.40183743622506 32.065 > 97 98 S 0.82927777272790 0.55618255567963 0.40183743622506 32.065 > 97 99 S 0.32927777272790 0.55618255567963 0.90183743622506 32.065 > 97 100 S 0.82927777272790 0.55618255567963 0.90183743622506 32.065 > 97 101 S 0.35699704528903 0.19834154695692 0.27502522639662 32.065 > 101 102 S 0.85699704528903 0.19834154695692 0.27502522639662 32.065 > 101 103 S 0.35699704528903 0.19834154695692 0.77502522639662 32.065 > 101 104 S 0.85699704528903 0.19834154695692 0.77502522639662 32.065 > 101 105 S 0.04311743097564 0.11240414652762 0.06383882331487 32.065 > 105 106 S 0.54311743097564 0.11240414652762 0.06383882331487 32.065 > 105 107 S 0.04311743097564 0.11240414652762 0.56383882331487 32.065 > 105 108 S 0.54311743097564 0.11240414652762 0.56383882331487 32.065 > 105 109 S 0.45688256902436 0.61240414652762 0.18616117668513 32.065 > 109 110 S 0.95688256902436 0.61240414652762 0.18616117668513 32.065 > 109 111 S 0.45688256902436 0.61240414652762 0.68616117668513 32.065 > 109 112 S 0.95688256902436 0.61240414652762 0.68616117668513 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.6835745 0.0000000 0.5156482 0.0000000 5.8105403 0.0000000 0.5156566 0.0000000 6.6535338 -------------------------- Born effective charges -------------------------- 1 Na 1.1346819 -0.1562438 0.0499699 -0.0307885 1.5433446 0.2608007 -0.0030186 0.2713993 1.0345921 2 Na 1.1346819 0.1562438 0.0499699 0.0307885 1.5433446 -0.2608007 -0.0030186 -0.2713993 1.0345921 3 Na 1.3550445 -0.0763338 -0.1139077 0.0328337 1.2863113 -0.1758614 -0.0437129 0.0674964 1.2771861 4 Na 1.3550445 0.0763338 -0.1139077 -0.0328337 1.2863113 0.1758614 -0.0437129 -0.0674964 1.2771861 5 Na 1.3550445 -0.0763338 -0.1139077 0.0328337 1.2863113 -0.1758614 -0.0437129 0.0674964 1.2771861 6 Na 1.3550445 0.0763338 -0.1139077 -0.0328337 1.2863113 0.1758614 -0.0437129 -0.0674964 1.2771861 7 Na 1.1346819 -0.1562438 0.0499699 -0.0307885 1.5433446 0.2608007 -0.0030186 0.2713993 1.0345921 8 Na 1.1346819 0.1562438 0.0499699 0.0307885 1.5433446 -0.2608007 -0.0030186 -0.2713993 1.0345921 9 Cu 1.1197489 0.1315955 0.0984694 -0.0759065 0.5210823 0.0203879 -0.1198194 0.1181708 0.5249076 10 Cu 1.1197489 -0.1315955 0.0984694 0.0759065 0.5210823 -0.0203879 -0.1198194 -0.1181708 0.5249076 11 Cu 1.1197489 0.1315955 0.0984694 -0.0759065 0.5210823 0.0203879 -0.1198194 0.1181708 0.5249076 12 Cu 1.1197489 -0.1315955 0.0984694 0.0759065 0.5210823 -0.0203879 -0.1198194 -0.1181708 0.5249076 13 Sb 3.2423147 -0.0424038 0.1476807 0.4782492 1.8759742 -0.3066142 0.4366886 0.0846817 2.6628037 14 Sb 3.2423147 -0.0424038 0.1476807 0.4782492 1.8759742 -0.3066142 0.4366886 0.0846817 2.6628037 15 Sb 3.2423147 0.0424038 0.1476807 -0.4782492 1.8759742 0.3066142 0.4366886 -0.0846817 2.6628037 16 Sb 3.2423147 0.0424038 0.1476807 -0.4782492 1.8759742 0.3066142 0.4366886 -0.0846817 2.6628037 17 S -4.5834844 -0.0225276 -0.2390804 -0.3620609 -0.8426227 -0.1370007 -0.4556654 -0.2376561 -1.2147883 18 S -1.2337305 0.0140846 0.0415876 -0.1812651 -2.7648698 0.7467713 0.0627206 0.7138955 -1.8449216 19 S -1.0345751 0.0261881 0.0152806 0.0600012 -1.6192199 0.2265456 0.1228071 0.8082812 -2.4397797 20 S -1.2337305 -0.0140846 0.0415876 0.1812651 -2.7648698 -0.7467713 0.0627206 -0.7138955 -1.8449216 21 S -4.5834844 0.0225276 -0.2390804 0.3620609 -0.8426227 0.1370007 -0.4556654 0.2376561 -1.2147883 22 S -4.5834844 0.0225276 -0.2390804 0.3620609 -0.8426227 0.1370007 -0.4556654 0.2376561 -1.2147883 23 S -1.0345751 -0.0261881 0.0152806 -0.0600012 -1.6192199 -0.2265456 0.1228071 -0.8082812 -2.4397797 24 S -1.2337305 0.0140846 0.0415876 -0.1812651 -2.7648698 0.7467713 0.0627206 0.7138955 -1.8449216 25 S -1.2337305 -0.0140846 0.0415876 0.1812651 -2.7648698 -0.7467713 0.0627206 -0.7138955 -1.8449216 26 S -4.5834844 -0.0225276 -0.2390804 -0.3620609 -0.8426227 -0.1370007 -0.4556654 -0.2376561 -1.2147883 27 S -1.0345751 -0.0261881 0.0152806 -0.0600012 -1.6192199 -0.2265456 0.1228071 -0.8082812 -2.4397797 28 S -1.0345751 0.0261881 0.0152806 0.0600012 -1.6192199 0.2265456 0.1228071 0.8082812 -2.4397797 ---------------------------------------------------------------------------- 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 9, 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 73, 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:18:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:18:52]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.788834313794154 0.000000000000000 0.000000000000000 b 0.000000000000000 16.868335720000001 0.000000000000000 c -3.218933434258513 0.000000000000000 6.209298516936899 Atomic positions (fractional): 1 Na 0.15745616032455 0.96106754167835 0.31007523058161 22.990 2 Na 0.84254383967545 0.46106754167835 0.18992476941839 22.990 3 Na 0.42571369835769 0.88404285206312 0.88307488917065 22.990 4 Na 0.57428630164231 0.38404285206312 0.61692511082935 22.990 5 Na 0.57428630164231 0.11595714793688 0.11692511082935 22.990 6 Na 0.42571369835769 0.61595714793688 0.38307488917065 22.990 7 Na 0.84254383967545 0.03893245832165 0.68992476941839 22.990 8 Na 0.15745616032455 0.53893245832165 0.81007523058161 22.990 9 Cu 0.10642752145313 0.78566791693630 0.09279552015840 63.546 10 Cu 0.10642752145313 0.71433208306370 0.59279552015840 63.546 11 Cu 0.89357247854687 0.21433208306370 0.90720447984160 63.546 12 Cu 0.89357247854687 0.28566791693630 0.40720447984160 63.546 13 Sb 0.74529135051008 0.82527319544940 0.51774024862959 121.760 14 Sb 0.25470864948992 0.17472680455060 0.48225975137041 121.760 15 Sb 0.74529135051008 0.67472680455060 0.01774024862959 121.760 16 Sb 0.25470864948992 0.32527319544939 0.98225975137041 121.760 17 S 0.28600590942194 0.80165845304308 0.44994954720675 32.065 18 S 0.34144445454420 0.05618255567963 0.69632512754988 32.065 19 S 0.08623486195129 0.38759585347238 0.62767764662973 32.065 20 S 0.34144445454420 0.44381744432037 0.19632512754988 32.065 21 S 0.28600590942194 0.69834154695692 0.94994954720675 32.065 22 S 0.71399409057806 0.30165845304308 0.05005045279325 32.065 23 S 0.91376513804871 0.88759585347238 0.87232235337027 32.065 24 S 0.65855554545580 0.94381744432037 0.30367487245012 32.065 25 S 0.65855554545580 0.55618255567963 0.80367487245012 32.065 26 S 0.71399409057806 0.19834154695692 0.55005045279325 32.065 27 S 0.08623486195129 0.11240414652762 0.12767764662973 32.065 28 S 0.91376513804871 0.61240414652762 0.37232235337027 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.577668627588308 0.000000000000000 0.000000000000000 b 0.000000000000000 16.868335720000001 0.000000000000000 c -6.437866868517026 0.000000000000000 12.418597033873798 Atomic positions (fractional): 1 Na 0.07872808016228 0.96106754167835 0.15503761529081 22.990 > 1 2 Na 0.57872808016228 0.96106754167835 0.15503761529081 22.990 > 1 3 Na 0.07872808016228 0.96106754167835 0.65503761529081 22.990 > 1 4 Na 0.57872808016228 0.96106754167835 0.65503761529081 22.990 > 1 5 Na 0.42127191983772 0.46106754167835 0.09496238470919 22.990 > 5 6 Na 0.92127191983772 0.46106754167835 0.09496238470919 22.990 > 5 7 Na 0.42127191983772 0.46106754167835 0.59496238470919 22.990 > 5 8 Na 0.92127191983772 0.46106754167835 0.59496238470919 22.990 > 5 9 Na 0.21285684917884 0.88404285206312 0.44153744458532 22.990 > 9 10 Na 0.71285684917884 0.88404285206312 0.44153744458532 22.990 > 9 11 Na 0.21285684917884 0.88404285206312 0.94153744458532 22.990 > 9 12 Na 0.71285684917884 0.88404285206312 0.94153744458532 22.990 > 9 13 Na 0.28714315082116 0.38404285206312 0.30846255541468 22.990 > 13 14 Na 0.78714315082116 0.38404285206312 0.30846255541468 22.990 > 13 15 Na 0.28714315082116 0.38404285206312 0.80846255541468 22.990 > 13 16 Na 0.78714315082116 0.38404285206312 0.80846255541468 22.990 > 13 17 Na 0.28714315082116 0.11595714793688 0.05846255541468 22.990 > 17 18 Na 0.78714315082116 0.11595714793688 0.05846255541468 22.990 > 17 19 Na 0.28714315082116 0.11595714793688 0.55846255541468 22.990 > 17 20 Na 0.78714315082116 0.11595714793688 0.55846255541468 22.990 > 17 21 Na 0.21285684917884 0.61595714793688 0.19153744458532 22.990 > 21 22 Na 0.71285684917884 0.61595714793688 0.19153744458532 22.990 > 21 23 Na 0.21285684917884 0.61595714793688 0.69153744458532 22.990 > 21 24 Na 0.71285684917884 0.61595714793688 0.69153744458532 22.990 > 21 25 Na 0.42127191983772 0.03893245832165 0.34496238470919 22.990 > 25 26 Na 0.92127191983772 0.03893245832165 0.34496238470919 22.990 > 25 27 Na 0.42127191983772 0.03893245832165 0.84496238470919 22.990 > 25 28 Na 0.92127191983772 0.03893245832165 0.84496238470919 22.990 > 25 29 Na 0.07872808016228 0.53893245832165 0.40503761529081 22.990 > 29 30 Na 0.57872808016228 0.53893245832165 0.40503761529081 22.990 > 29 31 Na 0.07872808016228 0.53893245832165 0.90503761529081 22.990 > 29 32 Na 0.57872808016228 0.53893245832165 0.90503761529081 22.990 > 29 33 Cu 0.05321376072656 0.78566791693630 0.04639776007920 63.546 > 33 34 Cu 0.55321376072656 0.78566791693630 0.04639776007920 63.546 > 33 35 Cu 0.05321376072656 0.78566791693630 0.54639776007920 63.546 > 33 36 Cu 0.55321376072656 0.78566791693630 0.54639776007920 63.546 > 33 37 Cu 0.05321376072656 0.71433208306370 0.29639776007920 63.546 > 37 38 Cu 0.55321376072656 0.71433208306370 0.29639776007920 63.546 > 37 39 Cu 0.05321376072656 0.71433208306370 0.79639776007920 63.546 > 37 40 Cu 0.55321376072656 0.71433208306370 0.79639776007920 63.546 > 37 41 Cu 0.44678623927344 0.21433208306370 0.45360223992080 63.546 > 41 42 Cu 0.94678623927344 0.21433208306370 0.45360223992080 63.546 > 41 43 Cu 0.44678623927344 0.21433208306370 0.95360223992080 63.546 > 41 44 Cu 0.94678623927344 0.21433208306370 0.95360223992080 63.546 > 41 45 Cu 0.44678623927344 0.28566791693630 0.20360223992080 63.546 > 45 46 Cu 0.94678623927344 0.28566791693630 0.20360223992080 63.546 > 45 47 Cu 0.44678623927344 0.28566791693630 0.70360223992080 63.546 > 45 48 Cu 0.94678623927344 0.28566791693630 0.70360223992080 63.546 > 45 49 Sb 0.37264567525504 0.82527319544940 0.25887012431480 121.760 > 49 50 Sb 0.87264567525504 0.82527319544940 0.25887012431480 121.760 > 49 51 Sb 0.37264567525504 0.82527319544940 0.75887012431480 121.760 > 49 52 Sb 0.87264567525504 0.82527319544940 0.75887012431480 121.760 > 49 53 Sb 0.12735432474496 0.17472680455060 0.24112987568520 121.760 > 53 54 Sb 0.62735432474496 0.17472680455060 0.24112987568520 121.760 > 53 55 Sb 0.12735432474496 0.17472680455060 0.74112987568520 121.760 > 53 56 Sb 0.62735432474496 0.17472680455060 0.74112987568520 121.760 > 53 57 Sb 0.37264567525504 0.67472680455060 0.00887012431480 121.760 > 57 58 Sb 0.87264567525504 0.67472680455060 0.00887012431480 121.760 > 57 59 Sb 0.37264567525504 0.67472680455060 0.50887012431480 121.760 > 57 60 Sb 0.87264567525504 0.67472680455060 0.50887012431480 121.760 > 57 61 Sb 0.12735432474496 0.32527319544939 0.49112987568520 121.760 > 61 62 Sb 0.62735432474496 0.32527319544939 0.49112987568520 121.760 > 61 63 Sb 0.12735432474496 0.32527319544939 0.99112987568520 121.760 > 61 64 Sb 0.62735432474496 0.32527319544939 0.99112987568520 121.760 > 61 65 S 0.14300295471097 0.80165845304308 0.22497477360338 32.065 > 65 66 S 0.64300295471097 0.80165845304308 0.22497477360338 32.065 > 65 67 S 0.14300295471097 0.80165845304308 0.72497477360338 32.065 > 65 68 S 0.64300295471097 0.80165845304308 0.72497477360338 32.065 > 65 69 S 0.17072222727210 0.05618255567963 0.34816256377494 32.065 > 69 70 S 0.67072222727210 0.05618255567963 0.34816256377494 32.065 > 69 71 S 0.17072222727210 0.05618255567963 0.84816256377494 32.065 > 69 72 S 0.67072222727210 0.05618255567963 0.84816256377494 32.065 > 69 73 S 0.04311743097564 0.38759585347238 0.31383882331487 32.065 > 73 74 S 0.54311743097564 0.38759585347238 0.31383882331487 32.065 > 73 75 S 0.04311743097564 0.38759585347238 0.81383882331487 32.065 > 73 76 S 0.54311743097564 0.38759585347238 0.81383882331487 32.065 > 73 77 S 0.17072222727210 0.44381744432037 0.09816256377494 32.065 > 77 78 S 0.67072222727210 0.44381744432037 0.09816256377494 32.065 > 77 79 S 0.17072222727210 0.44381744432037 0.59816256377494 32.065 > 77 80 S 0.67072222727210 0.44381744432037 0.59816256377494 32.065 > 77 81 S 0.14300295471097 0.69834154695692 0.47497477360338 32.065 > 81 82 S 0.64300295471097 0.69834154695692 0.47497477360338 32.065 > 81 83 S 0.14300295471097 0.69834154695692 0.97497477360338 32.065 > 81 84 S 0.64300295471097 0.69834154695692 0.97497477360338 32.065 > 81 85 S 0.35699704528903 0.30165845304308 0.02502522639662 32.065 > 85 86 S 0.85699704528903 0.30165845304308 0.02502522639662 32.065 > 85 87 S 0.35699704528903 0.30165845304308 0.52502522639662 32.065 > 85 88 S 0.85699704528903 0.30165845304308 0.52502522639662 32.065 > 85 89 S 0.45688256902436 0.88759585347238 0.43616117668513 32.065 > 89 90 S 0.95688256902436 0.88759585347238 0.43616117668513 32.065 > 89 91 S 0.45688256902436 0.88759585347238 0.93616117668513 32.065 > 89 92 S 0.95688256902436 0.88759585347238 0.93616117668513 32.065 > 89 93 S 0.32927777272790 0.94381744432037 0.15183743622506 32.065 > 93 94 S 0.82927777272790 0.94381744432037 0.15183743622506 32.065 > 93 95 S 0.32927777272790 0.94381744432037 0.65183743622506 32.065 > 93 96 S 0.82927777272790 0.94381744432037 0.65183743622506 32.065 > 93 97 S 0.32927777272790 0.55618255567963 0.40183743622506 32.065 > 97 98 S 0.82927777272790 0.55618255567963 0.40183743622506 32.065 > 97 99 S 0.32927777272790 0.55618255567963 0.90183743622506 32.065 > 97 100 S 0.82927777272790 0.55618255567963 0.90183743622506 32.065 > 97 101 S 0.35699704528903 0.19834154695692 0.27502522639662 32.065 > 101 102 S 0.85699704528903 0.19834154695692 0.27502522639662 32.065 > 101 103 S 0.35699704528903 0.19834154695692 0.77502522639662 32.065 > 101 104 S 0.85699704528903 0.19834154695692 0.77502522639662 32.065 > 101 105 S 0.04311743097564 0.11240414652762 0.06383882331487 32.065 > 105 106 S 0.54311743097564 0.11240414652762 0.06383882331487 32.065 > 105 107 S 0.04311743097564 0.11240414652762 0.56383882331487 32.065 > 105 108 S 0.54311743097564 0.11240414652762 0.56383882331487 32.065 > 105 109 S 0.45688256902436 0.61240414652762 0.18616117668513 32.065 > 109 110 S 0.95688256902436 0.61240414652762 0.18616117668513 32.065 > 109 111 S 0.45688256902436 0.61240414652762 0.68616117668513 32.065 > 109 112 S 0.95688256902436 0.61240414652762 0.68616117668513 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 12.6835745 0.0000000 0.5156482 0.0000000 5.8105403 0.0000000 0.5156566 0.0000000 6.6535338 -------------------------- Born effective charges -------------------------- 1 Na 1.1346819 -0.1562438 0.0499699 -0.0307885 1.5433446 0.2608007 -0.0030186 0.2713993 1.0345921 2 Na 1.1346819 0.1562438 0.0499699 0.0307885 1.5433446 -0.2608007 -0.0030186 -0.2713993 1.0345921 3 Na 1.3550445 -0.0763338 -0.1139077 0.0328337 1.2863113 -0.1758614 -0.0437129 0.0674964 1.2771861 4 Na 1.3550445 0.0763338 -0.1139077 -0.0328337 1.2863113 0.1758614 -0.0437129 -0.0674964 1.2771861 5 Na 1.3550445 -0.0763338 -0.1139077 0.0328337 1.2863113 -0.1758614 -0.0437129 0.0674964 1.2771861 6 Na 1.3550445 0.0763338 -0.1139077 -0.0328337 1.2863113 0.1758614 -0.0437129 -0.0674964 1.2771861 7 Na 1.1346819 -0.1562438 0.0499699 -0.0307885 1.5433446 0.2608007 -0.0030186 0.2713993 1.0345921 8 Na 1.1346819 0.1562438 0.0499699 0.0307885 1.5433446 -0.2608007 -0.0030186 -0.2713993 1.0345921 9 Cu 1.1197489 0.1315955 0.0984694 -0.0759065 0.5210823 0.0203879 -0.1198194 0.1181708 0.5249076 10 Cu 1.1197489 -0.1315955 0.0984694 0.0759065 0.5210823 -0.0203879 -0.1198194 -0.1181708 0.5249076 11 Cu 1.1197489 0.1315955 0.0984694 -0.0759065 0.5210823 0.0203879 -0.1198194 0.1181708 0.5249076 12 Cu 1.1197489 -0.1315955 0.0984694 0.0759065 0.5210823 -0.0203879 -0.1198194 -0.1181708 0.5249076 13 Sb 3.2423147 -0.0424038 0.1476807 0.4782492 1.8759742 -0.3066142 0.4366886 0.0846817 2.6628037 14 Sb 3.2423147 -0.0424038 0.1476807 0.4782492 1.8759742 -0.3066142 0.4366886 0.0846817 2.6628037 15 Sb 3.2423147 0.0424038 0.1476807 -0.4782492 1.8759742 0.3066142 0.4366886 -0.0846817 2.6628037 16 Sb 3.2423147 0.0424038 0.1476807 -0.4782492 1.8759742 0.3066142 0.4366886 -0.0846817 2.6628037 17 S -4.5834844 -0.0225276 -0.2390804 -0.3620609 -0.8426227 -0.1370007 -0.4556654 -0.2376561 -1.2147883 18 S -1.2337305 0.0140846 0.0415876 -0.1812651 -2.7648698 0.7467713 0.0627206 0.7138955 -1.8449216 19 S -1.0345751 0.0261881 0.0152806 0.0600012 -1.6192199 0.2265456 0.1228071 0.8082812 -2.4397797 20 S -1.2337305 -0.0140846 0.0415876 0.1812651 -2.7648698 -0.7467713 0.0627206 -0.7138955 -1.8449216 21 S -4.5834844 0.0225276 -0.2390804 0.3620609 -0.8426227 0.1370007 -0.4556654 0.2376561 -1.2147883 22 S -4.5834844 0.0225276 -0.2390804 0.3620609 -0.8426227 0.1370007 -0.4556654 0.2376561 -1.2147883 23 S -1.0345751 -0.0261881 0.0152806 -0.0600012 -1.6192199 -0.2265456 0.1228071 -0.8082812 -2.4397797 24 S -1.2337305 0.0140846 0.0415876 -0.1812651 -2.7648698 0.7467713 0.0627206 0.7138955 -1.8449216 25 S -1.2337305 -0.0140846 0.0415876 0.1812651 -2.7648698 -0.7467713 0.0627206 -0.7138955 -1.8449216 26 S -4.5834844 -0.0225276 -0.2390804 -0.3620609 -0.8426227 -0.1370007 -0.4556654 -0.2376561 -1.2147883 27 S -1.0345751 -0.0261881 0.0152806 -0.0600012 -1.6192199 -0.2265456 0.1228071 -0.8082812 -2.4397797 28 S -1.0345751 0.0261881 0.0152806 0.0600012 -1.6192199 0.2265456 0.1228071 0.8082812 -2.4397797 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 3 8 ] 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: 0.49, Number of G-points: 301, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 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 0.930 ( 0.000 0.000 0.000) 0.000 1.066 ( 0.000 0.000 0.000) 0.000 1.208 ( 0.000 0.000 0.000) 0.000 1.464 ( 0.000 0.000 0.000) 0.000 1.551 ( 0.000 0.000 0.000) 0.000 1.628 ( 0.000 0.000 0.000) 0.000 1.768 ( 0.000 0.000 0.000) 0.000 1.825 ( 0.000 0.000 0.000) 0.000 1.871 ( 0.000 0.000 0.000) 0.000 1.975 ( 0.000 0.000 0.000) 0.000 2.070 ( 0.000 0.000 0.000) 0.000 2.113 ( 0.000 0.000 0.000) 0.000 2.223 ( 0.000 0.000 0.000) 0.000 2.377 ( 0.000 0.000 0.000) 0.000 2.406 ( 0.000 0.000 0.000) 0.000 2.409 ( 0.000 0.000 0.000) 0.000 2.485 ( 0.000 0.000 0.000) 0.000 2.555 ( 0.000 0.000 0.000) 0.000 2.586 ( 0.000 0.000 0.000) 0.000 2.652 ( 0.000 0.000 0.000) 0.000 2.655 ( 0.000 0.000 0.000) 0.000 2.728 ( 0.000 0.000 0.000) 0.000 2.826 ( 0.000 0.000 0.000) 0.000 2.878 ( 0.000 0.000 0.000) 0.000 2.934 ( 0.000 0.000 0.000) 0.000 2.952 ( 0.000 0.000 0.000) 0.000 3.022 ( 0.000 0.000 0.000) 0.000 3.041 ( 0.000 0.000 0.000) 0.000 3.070 ( 0.000 0.000 0.000) 0.000 3.277 ( 0.000 0.000 0.000) 0.000 3.393 ( 0.000 0.000 0.000) 0.000 3.436 ( 0.000 0.000 0.000) 0.000 3.516 ( 0.000 0.000 0.000) 0.000 3.623 ( 0.000 0.000 0.000) 0.000 3.642 ( 0.000 0.000 0.000) 0.000 3.661 ( 0.000 0.000 0.000) 0.000 3.768 ( 0.000 0.000 0.000) 0.000 4.201 ( 0.000 0.000 0.000) 0.000 4.230 ( 0.000 0.000 0.000) 0.000 4.296 ( 0.000 0.000 0.000) 0.000 4.350 ( 0.000 0.000 0.000) 0.000 4.848 ( 0.000 0.000 0.000) 0.000 5.075 ( 0.000 0.000 0.000) 0.000 5.208 ( 0.000 0.000 0.000) 0.000 5.233 ( 0.000 0.000 0.000) 0.000 5.281 ( 0.000 0.000 0.000) 0.000 5.378 ( 0.000 0.000 0.000) 0.000 5.388 ( 0.000 0.000 0.000) 0.000 5.435 ( 0.000 0.000 0.000) 0.000 5.513 ( 0.000 0.000 0.000) 0.000 5.546 ( 0.000 0.000 0.000) 0.000 5.566 ( 0.000 0.000 0.000) 0.000 5.666 ( 0.000 0.000 0.000) 0.000 5.754 ( 0.000 0.000 0.000) 0.000 5.761 ( 0.000 0.000 0.000) 0.000 5.933 ( 0.000 0.000 0.000) 0.000 5.968 ( 0.000 0.000 0.000) 0.000 6.075 ( 0.000 0.000 0.000) 0.000 6.210 ( 0.000 0.000 0.000) 0.000 6.215 ( 0.000 0.000 0.000) 0.000 6.383 ( 0.000 0.000 0.000) 0.000 8.237 ( 0.000 0.000 0.000) 0.000 8.301 ( 0.000 0.000 0.000) 0.000 8.305 ( 0.000 0.000 0.000) 0.000 8.424 ( 0.000 0.000 0.000) 0.000 8.678 ( 0.000 0.000 0.000) 0.000 8.731 ( 0.000 0.000 0.000) 0.000 9.142 ( 0.000 0.000 0.000) 0.000 9.168 ( 0.000 0.000 0.000) 0.000 9.378 ( 0.000 0.000 0.000) 0.000 9.418 ( 0.000 0.000 0.000) 0.000 9.435 ( 0.000 0.000 0.000) 0.000 9.502 ( 0.000 0.000 0.000) 0.000 9.549 ( 0.000 0.000 0.000) 0.000 9.562 ( 0.000 0.000 0.000) 0.000 9.664 ( 0.000 0.000 0.000) 0.000 9.714 ( 0.000 0.000 0.000) 0.000 10.096 ( 0.000 0.000 0.000) 0.000 10.361 ( 0.000 0.000 0.000) 0.000 10.533 ( 0.000 0.000 0.000) 0.000 10.542 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( 11.339 0.000 20.771) 23.664 0.408 ( 17.479 0.000 11.417) 20.877 0.787 ( 36.871 0.000 14.186) 39.506 1.056 ( 9.483 0.000 5.730) 11.080 1.160 ( 8.022 0.000 4.639) 9.267 1.230 ( 1.489 0.000 2.173) 2.634 1.368 ( -2.983 0.000 2.043) 3.616 1.643 ( 2.039 0.000 -0.729) 2.165 1.750 ( 10.891 0.000 2.577) 11.192 1.766 ( 0.577 0.000 -2.462) 2.528 1.848 ( -0.489 0.000 -5.724) 5.745 1.905 ( 8.431 0.000 2.336) 8.749 2.017 ( 1.494 0.000 3.945) 4.218 2.079 ( 0.918 0.000 0.735) 1.176 2.101 ( 0.320 0.000 -2.065) 2.090 2.266 ( 3.180 0.000 1.029) 3.342 2.368 ( 1.731 0.000 -5.899) 6.148 2.396 ( 4.055 0.000 -7.533) 8.555 2.458 ( 6.472 0.000 -1.133) 6.570 2.512 ( -0.715 0.000 -0.836) 1.100 2.521 ( 4.357 0.000 -6.324) 7.680 2.589 ( 0.823 0.000 -2.043) 2.202 2.637 ( 4.626 0.000 1.061) 4.746 2.748 ( 3.364 0.000 -2.981) 4.495 2.812 ( 1.298 0.000 -2.747) 3.038 2.829 ( 8.087 0.000 7.490) 11.023 2.929 ( 4.075 0.000 1.055) 4.209 2.976 ( 2.268 0.000 -1.790) 2.889 2.988 ( 5.860 0.000 -1.357) 6.015 3.048 ( 4.732 0.000 -3.356) 5.801 3.106 ( 6.327 0.000 4.006) 7.489 3.220 ( 2.867 0.000 4.217) 5.100 3.298 ( 1.018 0.000 2.328) 2.541 3.404 ( -1.368 0.000 0.834) 1.602 3.416 ( 0.415 0.000 -3.784) 3.806 3.452 ( -0.864 0.000 -0.171) 0.881 3.633 ( 0.300 0.000 -1.597) 1.625 3.664 ( 0.925 0.000 0.207) 0.948 3.713 ( 3.457 0.000 0.981) 3.594 3.781 ( 1.824 0.000 0.379) 1.863 4.183 ( 1.282 0.000 -3.846) 4.054 4.192 ( -0.152 0.000 -5.463) 5.465 4.335 ( 0.666 0.000 5.298) 5.339 4.401 ( 0.701 0.000 4.837) 4.887 4.812 ( -3.456 0.000 -1.692) 3.848 5.071 ( -0.364 0.000 -0.756) 0.839 5.185 ( -1.431 0.000 -0.663) 1.577 5.242 ( -0.219 0.000 0.078) 0.233 5.263 ( -1.353 0.000 -0.229) 1.372 5.301 ( -7.374 0.000 -0.016) 7.374 5.430 ( 0.126 0.000 -1.010) 1.018 5.442 ( -2.330 0.000 -0.079) 2.332 5.498 ( 0.016 0.000 -0.340) 0.341 5.500 ( -4.161 0.000 -1.489) 4.419 5.567 ( 0.081 0.000 0.072) 0.109 5.637 ( -1.472 0.000 -1.994) 2.479 5.822 ( 3.039 0.000 2.996) 4.267 5.912 ( -3.522 0.000 3.749) 5.144 5.977 ( -0.060 0.000 1.097) 1.099 6.041 ( -2.693 0.000 3.237) 4.211 6.134 ( 1.601 0.000 -0.730) 1.759 6.205 ( 1.396 0.000 0.656) 1.543 6.273 ( 4.970 0.000 -1.832) 5.297 6.408 ( 3.022 0.000 -15.549) 15.840 8.253 ( 1.780 0.000 -0.163) 1.788 8.376 ( 3.989 0.000 5.768) 7.013 8.407 ( -0.726 0.000 -1.362) 1.543 8.575 ( -4.303 0.000 6.686) 7.951 8.685 ( 0.876 0.000 -0.001) 0.876 8.895 ( 2.047 0.000 -6.789) 7.091 9.149 ( 0.698 0.000 0.511) 0.865 9.193 ( 2.122 0.000 0.684) 2.229 9.381 ( 1.107 0.000 0.306) 1.149 9.437 ( 1.042 0.000 2.051) 2.301 9.463 ( 2.847 0.000 -1.085) 3.046 9.545 ( 0.409 0.000 -2.644) 2.676 9.596 ( 2.781 0.000 3.422) 4.410 9.704 ( 1.967 0.000 2.361) 3.073 9.720 ( 0.699 0.000 0.287) 0.755 9.940 ( -3.956 0.000 5.960) 7.154 10.091 ( -0.769 0.000 0.354) 0.846 10.344 ( -1.045 0.000 -1.857) 2.131 10.477 ( -4.926 0.000 -1.333) 5.103 10.479 ( -6.331 0.000 -1.755) 6.570 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 12.307 0.000 20.071) 23.543 0.804 ( 16.973 0.000 10.328) 19.868 1.277 ( 8.212 0.000 9.182) 12.319 1.318 ( 6.353 0.000 3.673) 7.338 1.382 ( 12.509 0.000 5.679) 13.738 1.417 ( 4.160 0.000 4.194) 5.907 1.512 ( 29.789 0.000 11.400) 31.896 1.685 ( 3.200 0.000 0.078) 3.201 1.750 ( 0.816 0.000 0.357) 0.891 1.840 ( 4.297 0.000 -3.791) 5.731 1.898 ( 4.262 0.000 1.894) 4.664 2.049 ( -0.988 0.000 2.999) 3.157 2.059 ( 1.819 0.000 2.910) 3.432 2.136 ( 4.660 0.000 -1.816) 5.001 2.159 ( 8.603 0.000 1.299) 8.701 2.309 ( 2.420 0.000 -2.161) 3.245 2.372 ( 3.365 0.000 -4.701) 5.781 2.405 ( 4.467 0.000 -6.601) 7.970 2.525 ( 5.688 0.000 -0.092) 5.688 2.551 ( 5.907 0.000 -6.050) 8.455 2.579 ( 4.280 0.000 -4.549) 6.246 2.610 ( 6.362 0.000 -4.465) 7.772 2.788 ( 3.623 0.000 -3.662) 5.151 2.806 ( 11.106 0.000 1.868) 11.262 2.847 ( 5.113 0.000 0.083) 5.114 2.977 ( 3.221 0.000 0.785) 3.316 2.995 ( 6.087 0.000 -5.196) 8.003 3.031 ( 7.680 0.000 1.455) 7.817 3.134 ( 6.210 0.000 -1.387) 6.363 3.153 ( 14.878 0.000 -1.987) 15.010 3.277 ( 6.361 0.000 5.155) 8.188 3.346 ( 1.595 0.000 6.003) 6.211 3.371 ( 5.519 0.000 -1.270) 5.663 3.404 ( 4.807 0.000 0.395) 4.823 3.420 ( 8.883 0.000 -1.881) 9.080 3.523 ( 6.533 0.000 0.599) 6.560 3.614 ( 3.333 0.000 -6.786) 7.561 3.696 ( 1.601 0.000 2.550) 3.011 3.749 ( 1.370 0.000 0.614) 1.501 3.832 ( 3.563 0.000 -1.454) 3.848 4.148 ( -0.752 0.000 -2.426) 2.540 4.196 ( 2.836 0.000 -1.438) 3.179 4.404 ( -4.308 0.000 2.156) 4.817 4.404 ( 2.877 0.000 3.226) 4.323 4.779 ( 1.056 0.000 -0.082) 1.060 5.047 ( -1.794 0.000 0.073) 1.796 5.143 ( -3.472 0.000 -0.321) 3.487 5.163 ( -8.454 0.000 0.445) 8.466 5.222 ( -2.277 0.000 0.219) 2.287 5.227 ( -3.737 0.000 -0.257) 3.746 5.330 ( -9.899 0.000 -0.222) 9.901 5.337 ( -7.980 0.000 -1.308) 8.087 5.453 ( 0.490 0.000 -2.259) 2.312 5.519 ( 0.886 0.000 1.658) 1.880 5.563 ( -0.504 0.000 -0.922) 1.051 5.594 ( -0.837 0.000 -2.580) 2.713 5.879 ( 1.642 0.000 0.571) 1.739 5.916 ( -0.229 0.000 4.787) 4.792 5.973 ( -0.940 0.000 -0.056) 0.942 6.032 ( -0.201 0.000 -0.675) 0.704 6.146 ( 0.239 0.000 0.699) 0.739 6.258 ( 3.408 0.000 0.566) 3.455 6.297 ( -1.291 0.000 -11.865) 11.935 6.337 ( 3.465 0.000 -0.322) 3.480 8.288 ( 2.424 0.000 -0.607) 2.499 8.390 ( 0.406 0.000 -1.517) 1.570 8.479 ( 0.913 0.000 5.387) 5.464 8.562 ( -1.068 0.000 1.437) 1.791 8.714 ( 3.035 0.000 -0.480) 3.073 8.878 ( 0.443 0.000 -1.486) 1.550 9.177 ( 1.744 0.000 1.097) 2.060 9.239 ( 2.313 0.000 0.580) 2.385 9.428 ( 3.153 0.000 1.325) 3.420 9.485 ( 1.704 0.000 3.023) 3.470 9.511 ( 3.437 0.000 -0.144) 3.440 9.546 ( 2.449 0.000 -2.500) 3.500 9.671 ( 2.360 0.000 2.463) 3.411 9.725 ( 0.454 0.000 -0.078) 0.461 9.763 ( 1.618 0.000 2.014) 2.583 9.918 ( -2.511 0.000 1.780) 3.078 10.080 ( -0.904 0.000 0.862) 1.249 10.286 ( -2.991 0.000 -3.801) 4.837 10.350 ( -5.420 0.000 -1.880) 5.737 10.370 ( -5.386 0.000 -1.775) 5.671 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 11.560 0.000 16.667) 20.284 1.169 ( 14.767 0.000 9.156) 17.375 1.483 ( 6.672 0.000 7.968) 10.393 1.503 ( 8.048 0.000 6.421) 10.296 1.553 ( 8.797 0.000 1.320) 8.895 1.620 ( 9.266 0.000 5.080) 10.567 1.745 ( 3.374 0.000 -0.438) 3.402 1.820 ( 5.270 0.000 3.754) 6.470 1.912 ( 5.736 0.000 -0.301) 5.744 1.957 ( 0.837 0.000 3.468) 3.567 1.999 ( 15.099 0.000 3.384) 15.474 2.062 ( 0.222 0.000 2.078) 2.090 2.083 ( -0.591 0.000 2.671) 2.735 2.171 ( 1.462 0.000 -2.881) 3.230 2.262 ( 2.024 0.000 -2.820) 3.471 2.314 ( 1.439 0.000 -3.176) 3.487 2.389 ( 3.082 0.000 -4.068) 5.104 2.426 ( 3.751 0.000 -5.316) 6.506 2.533 ( -2.872 0.000 -5.975) 6.629 2.604 ( 4.374 0.000 -1.681) 4.686 2.637 ( 5.925 0.000 -1.349) 6.077 2.730 ( 10.536 0.000 -3.788) 11.196 2.816 ( 2.489 0.000 0.990) 2.678 2.911 ( 1.956 0.000 -1.104) 2.246 2.966 ( 2.664 0.000 1.142) 2.899 3.065 ( 10.590 0.000 -1.614) 10.713 3.149 ( 0.869 0.000 -2.132) 2.302 3.155 ( 13.198 0.000 -1.136) 13.247 3.215 ( 5.948 0.000 3.130) 6.721 3.375 ( 5.392 0.000 -1.878) 5.710 3.384 ( 6.359 0.000 -7.134) 9.557 3.447 ( 17.836 0.000 1.035) 17.866 3.461 ( 7.301 0.000 3.845) 8.252 3.596 ( 14.578 0.000 1.474) 14.652 3.632 ( 6.240 0.000 -2.132) 6.595 3.667 ( 8.363 0.000 -0.731) 8.395 3.686 ( 14.315 0.000 -2.288) 14.497 3.799 ( 7.645 0.000 4.869) 9.064 3.801 ( 5.624 0.000 -1.043) 5.720 3.887 ( 5.003 0.000 -0.505) 5.028 4.117 ( -1.769 0.000 0.342) 1.802 4.229 ( -0.514 0.000 0.465) 0.693 4.346 ( -0.868 0.000 0.185) 0.888 4.482 ( 3.787 0.000 0.390) 3.807 4.801 ( 0.188 0.000 -0.305) 0.358 5.009 ( -9.842 0.000 0.698) 9.867 5.014 ( -4.150 0.000 1.483) 4.407 5.046 ( -8.274 0.000 0.739) 8.307 5.074 ( -11.886 0.000 -0.812) 11.914 5.144 ( -8.489 0.000 -1.371) 8.599 5.182 ( -6.986 0.000 0.741) 7.025 5.189 ( -6.090 0.000 0.799) 6.143 5.451 ( 1.327 0.000 -2.113) 2.495 5.528 ( -1.753 0.000 -1.637) 2.399 5.549 ( 0.952 0.000 0.981) 1.368 5.574 ( 0.823 0.000 -1.048) 1.332 5.892 ( 0.879 0.000 -2.261) 2.426 5.949 ( -0.983 0.000 -1.265) 1.602 5.960 ( 0.920 0.000 0.434) 1.017 6.032 ( 1.405 0.000 -0.621) 1.536 6.124 ( -2.387 0.000 -6.099) 6.549 6.201 ( -0.658 0.000 0.149) 0.674 6.318 ( 2.538 0.000 1.035) 2.741 6.388 ( 1.939 0.000 1.070) 2.215 8.319 ( 1.939 0.000 -1.032) 2.197 8.393 ( 1.137 0.000 -1.121) 1.597 8.500 ( -0.936 0.000 1.239) 1.553 8.564 ( -0.408 0.000 1.052) 1.129 8.779 ( 3.857 0.000 0.537) 3.895 8.881 ( 0.274 0.000 0.354) 0.448 9.224 ( 1.966 0.000 1.725) 2.615 9.279 ( 1.786 0.000 0.136) 1.791 9.504 ( 3.610 0.000 1.984) 4.119 9.547 ( 2.641 0.000 2.139) 3.399 9.579 ( 3.094 0.000 -1.310) 3.360 9.580 ( 4.003 0.000 0.947) 4.114 9.715 ( 0.980 0.000 0.917) 1.342 9.728 ( 0.025 0.000 -0.029) 0.038 9.795 ( 0.477 0.000 0.816) 0.945 9.884 ( -2.445 0.000 0.085) 2.446 10.080 ( -0.241 0.000 1.415) 1.435 10.185 ( -3.956 0.000 -3.349) 5.184 10.266 ( -3.064 0.000 -1.555) 3.436 10.269 ( -4.302 0.000 -1.823) 4.672 ======================= Grid point 4 (5/84) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 8.138 0.000 10.969) 13.658 1.455 ( 9.254 0.000 6.565) 11.347 1.636 ( 3.183 0.000 3.002) 4.375 1.639 ( 4.394 0.000 4.503) 6.291 1.741 ( 5.919 0.000 -0.432) 5.935 1.789 ( 5.531 0.000 3.901) 6.768 1.803 ( 7.910 0.000 0.741) 7.945 1.955 ( 5.186 0.000 4.351) 6.770 2.008 ( 3.617 0.000 2.155) 4.210 2.021 ( 1.934 0.000 5.735) 6.052 2.047 ( 0.690 0.000 -3.761) 3.824 2.086 ( -1.781 0.000 1.061) 2.073 2.134 ( -0.637 0.000 -1.100) 1.271 2.161 ( 0.880 0.000 -1.744) 1.954 2.224 ( -0.926 0.000 -3.214) 3.345 2.300 ( -0.627 0.000 -2.510) 2.587 2.380 ( -4.358 0.000 -5.529) 7.040 2.403 ( 2.209 0.000 -3.047) 3.763 2.445 ( -0.222 0.000 -3.637) 3.644 2.652 ( 2.209 0.000 -1.205) 2.516 2.680 ( 1.476 0.000 -2.322) 2.752 2.872 ( 7.758 0.000 -2.097) 8.036 2.888 ( 3.514 0.000 1.369) 3.771 2.921 ( -0.163 0.000 0.604) 0.625 2.970 ( -2.193 0.000 1.338) 2.569 3.121 ( -0.338 0.000 -0.656) 0.738 3.181 ( 3.362 0.000 -2.987) 4.497 3.291 ( 2.971 0.000 -0.686) 3.050 3.337 ( 2.581 0.000 2.924) 3.900 3.451 ( 6.884 0.000 -2.174) 7.219 3.509 ( 11.082 0.000 -1.048) 11.132 3.703 ( 13.319 0.000 1.913) 13.456 3.724 ( 8.328 0.000 -1.588) 8.478 3.727 ( 0.699 0.000 0.790) 1.055 3.738 ( 12.112 0.000 -0.321) 12.116 3.844 ( 9.574 0.000 0.908) 9.617 3.878 ( 10.201 0.000 -1.395) 10.296 3.951 ( 13.899 0.000 -4.502) 14.610 4.016 ( 7.758 0.000 1.113) 7.837 4.026 ( 11.778 0.000 1.295) 11.849 4.111 ( 1.545 0.000 2.325) 2.791 4.182 ( -4.495 0.000 4.398) 6.289 4.372 ( 0.807 0.000 -2.208) 2.351 4.514 ( -0.850 0.000 -1.130) 1.414 4.772 ( -3.197 0.000 0.148) 3.200 4.826 ( -11.520 0.000 0.474) 11.530 4.853 ( -7.976 0.000 1.301) 8.082 4.885 ( -9.348 0.000 -0.111) 9.349 4.953 ( -5.085 0.000 0.223) 5.090 4.965 ( -9.627 0.000 -0.522) 9.641 5.085 ( -5.657 0.000 -0.175) 5.660 5.104 ( -5.093 0.000 0.918) 5.175 5.446 ( 0.266 0.000 -0.922) 0.960 5.512 ( 0.905 0.000 -0.216) 0.930 5.566 ( 1.918 0.000 -1.927) 2.719 5.600 ( 0.369 0.000 2.552) 2.579 5.876 ( 0.280 0.000 -2.912) 2.925 5.923 ( -0.614 0.000 -1.057) 1.222 5.947 ( -0.564 0.000 -6.485) 6.509 5.967 ( -2.877 0.000 -2.643) 3.907 6.119 ( 2.289 0.000 2.056) 3.077 6.217 ( -0.054 0.000 2.061) 2.061 6.364 ( 1.387 0.000 1.442) 2.001 6.420 ( 0.879 0.000 0.658) 1.097 8.336 ( 1.032 0.000 -0.801) 1.307 8.403 ( 0.821 0.000 -0.598) 1.016 8.492 ( -0.467 0.000 0.013) 0.467 8.563 ( -0.375 0.000 0.290) 0.474 8.842 ( 2.627 0.000 0.650) 2.706 8.887 ( -0.212 0.000 0.562) 0.601 9.269 ( 1.241 0.000 1.857) 2.234 9.300 ( 0.899 0.000 -0.581) 1.070 9.576 ( 2.519 0.000 1.761) 3.074 9.602 ( 1.772 0.000 0.695) 1.904 9.626 ( 3.185 0.000 -0.484) 3.221 9.660 ( 3.956 0.000 1.217) 4.138 9.727 ( 0.167 0.000 0.159) 0.231 9.730 ( -0.071 0.000 1.142) 1.144 9.792 ( -0.900 0.000 -0.685) 1.131 9.835 ( -2.826 0.000 -0.950) 2.981 10.098 ( 0.722 0.000 1.686) 1.834 10.107 ( -2.248 0.000 -1.715) 2.828 10.190 ( -2.952 0.000 -1.731) 3.422 10.211 ( -1.850 0.000 -1.066) 2.135 ======================= Grid point 5 (6/84) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 0.000 0.000 0.000) 0.000 1.572 ( -0.000 0.000 -0.000) 0.000 1.678 ( 0.000 0.000 0.000) 0.000 1.699 ( 0.000 0.000 0.000) 0.000 1.758 ( 0.000 0.000 0.000) 0.000 1.861 ( -0.000 0.000 0.000) 0.000 1.959 ( 0.000 0.000 0.000) 0.000 2.015 ( 0.000 0.000 0.000) 0.000 2.032 ( 0.000 0.000 -0.000) 0.000 2.050 ( 0.000 0.000 0.000) 0.000 2.054 ( -0.000 0.000 0.000) 0.000 2.089 ( 0.000 0.000 0.000) 0.000 2.111 ( -0.000 0.000 -0.000) 0.000 2.139 ( 0.000 0.000 0.000) 0.000 2.223 ( 0.000 0.000 0.000) 0.000 2.231 ( -0.000 0.000 -0.000) 0.000 2.310 ( -0.000 0.000 0.000) 0.000 2.409 ( 0.000 0.000 -0.000) 0.000 2.426 ( 0.000 0.000 0.000) 0.000 2.663 ( 0.000 0.000 0.000) 0.000 2.676 ( 0.000 0.000 0.000) 0.000 2.913 ( 0.000 0.000 0.000) 0.000 2.938 ( -0.000 0.000 0.000) 0.000 2.938 ( 0.000 0.000 -0.000) 0.000 2.944 ( -0.000 0.000 0.000) 0.000 3.122 ( 0.000 0.000 -0.000) 0.000 3.186 ( 0.000 0.000 0.000) 0.000 3.307 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 -0.000) 0.000 3.502 ( 0.000 0.000 0.000) 0.000 3.624 ( 0.000 0.000 0.000) 0.000 3.714 ( 0.000 0.000 0.000) 0.000 3.826 ( 0.000 0.000 0.000) 0.000 3.835 ( 0.000 0.000 0.000) 0.000 3.872 ( -0.000 0.000 0.000) 0.000 3.891 ( 0.000 0.000 0.000) 0.000 3.981 ( 0.000 0.000 0.000) 0.000 4.087 ( 0.000 0.000 0.000) 0.000 4.104 ( -0.000 0.000 -0.000) 0.000 4.146 ( 0.000 0.000 0.000) 0.000 4.186 ( -0.000 0.000 0.000) 0.000 4.241 ( -0.000 0.000 -0.000) 0.000 4.268 ( 0.000 0.000 0.000) 0.000 4.462 ( 0.000 0.000 0.000) 0.000 4.725 ( 0.000 0.000 0.000) 0.000 4.727 ( 0.000 0.000 -0.000) 0.000 4.770 ( 0.000 0.000 0.000) 0.000 4.810 ( -0.000 0.000 0.000) 0.000 4.861 ( 0.000 0.000 0.000) 0.000 4.965 ( -0.000 0.000 -0.000) 0.000 4.968 ( 0.000 0.000 0.000) 0.000 5.056 ( 0.000 0.000 0.000) 0.000 5.452 ( 0.000 0.000 -0.000) 0.000 5.523 ( -0.000 0.000 0.000) 0.000 5.577 ( 0.000 0.000 0.000) 0.000 5.615 ( 0.000 0.000 -0.000) 0.000 5.863 ( 0.000 0.000 0.000) 0.000 5.880 ( 0.000 0.000 0.000) 0.000 5.912 ( 0.000 0.000 0.000) 0.000 5.950 ( 0.000 0.000 0.000) 0.000 6.153 ( 0.000 0.000 0.000) 0.000 6.225 ( -0.000 0.000 0.000) 0.000 6.384 ( 0.000 0.000 0.000) 0.000 6.430 ( 0.000 0.000 0.000) 0.000 8.342 ( 0.000 0.000 0.000) 0.000 8.408 ( 0.000 0.000 0.000) 0.000 8.487 ( 0.000 0.000 0.000) 0.000 8.560 ( 0.000 0.000 0.000) 0.000 8.876 ( -0.000 0.000 0.000) 0.000 8.881 ( 0.000 0.000 0.000) 0.000 9.293 ( 0.000 0.000 0.000) 0.000 9.301 ( 0.000 0.000 -0.000) 0.000 9.609 ( -0.000 0.000 0.000) 0.000 9.620 ( 0.000 0.000 0.000) 0.000 9.656 ( 0.000 0.000 0.000) 0.000 9.708 ( -0.000 0.000 0.000) 0.000 9.739 ( 0.000 0.000 0.000) 0.000 9.754 ( -0.000 0.000 -0.000) 0.000 9.760 ( 0.000 0.000 0.000) 0.000 9.787 ( 0.000 0.000 0.000) 0.000 10.080 ( 0.000 0.000 0.000) 0.000 10.130 ( 0.000 0.000 0.000) 0.000 10.139 ( -0.000 0.000 -0.000) 0.000 10.189 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/84) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( 0.000 20.180 0.000) 20.180 0.422 ( 0.000 20.547 0.000) 20.547 0.723 ( 0.000 27.193 0.000) 27.193 0.770 ( 0.000 -11.797 0.000) 11.797 0.815 ( 0.000 -12.756 0.000) 12.756 1.334 ( 0.000 -22.963 0.000) 22.963 1.394 ( 0.000 9.713 0.000) 9.713 1.547 ( 0.000 6.272 0.000) 6.272 1.561 ( 0.000 -6.662 0.000) 6.662 1.672 ( 0.000 -7.077 0.000) 7.077 1.808 ( 0.000 3.284 0.000) 3.284 1.861 ( 0.000 -1.510 0.000) 1.510 2.064 ( 0.000 3.809 0.000) 3.809 2.106 ( 0.000 -0.893 0.000) 0.893 2.223 ( 0.000 0.076 0.000) 0.076 2.227 ( 0.000 -0.256 0.000) 0.256 2.392 ( 0.000 1.445 0.000) 1.445 2.437 ( 0.000 -3.118 0.000) 3.118 2.460 ( 0.000 4.718 0.000) 4.718 2.535 ( 0.000 -1.923 0.000) 1.923 2.606 ( 0.000 0.282 0.000) 0.282 2.630 ( 0.000 -2.086 0.000) 2.086 2.665 ( 0.000 1.591 0.000) 1.591 2.701 ( 0.000 -1.440 0.000) 1.440 2.783 ( 0.000 4.038 0.000) 4.038 2.796 ( 0.000 0.163 0.000) 0.163 2.877 ( 0.000 -4.030 0.000) 4.030 2.900 ( 0.000 -3.928 0.000) 3.928 2.948 ( 0.000 2.163 0.000) 2.163 2.982 ( 0.000 -2.126 0.000) 2.126 3.046 ( 0.000 1.874 0.000) 1.874 3.084 ( 0.000 -1.097 0.000) 1.097 3.363 ( 0.000 6.410 0.000) 6.410 3.426 ( 0.000 0.485 0.000) 0.485 3.477 ( 0.000 2.691 0.000) 2.691 3.537 ( 0.000 2.467 0.000) 2.467 3.555 ( 0.000 -5.674 0.000) 5.674 3.599 ( 0.000 -2.876 0.000) 2.876 3.731 ( 0.000 2.337 0.000) 2.337 3.761 ( 0.000 -0.837 0.000) 0.837 4.209 ( 0.000 0.711 0.000) 0.711 4.224 ( 0.000 -0.630 0.000) 0.630 4.363 ( 0.000 1.191 0.000) 1.191 4.389 ( 0.000 -1.165 0.000) 1.165 4.887 ( 0.000 3.884 0.000) 3.884 4.992 ( 0.000 -6.146 0.000) 6.146 5.219 ( 0.000 1.043 0.000) 1.043 5.242 ( 0.000 -0.762 0.000) 0.762 5.298 ( 0.000 2.214 0.000) 2.214 5.343 ( 0.000 -2.094 0.000) 2.094 5.422 ( 0.000 1.908 0.000) 1.908 5.453 ( 0.000 -1.052 0.000) 1.052 5.532 ( 0.000 1.576 0.000) 1.576 5.557 ( 0.000 -0.893 0.000) 0.893 5.568 ( 0.000 2.287 0.000) 2.287 5.627 ( 0.000 -3.107 0.000) 3.107 5.790 ( 0.000 2.884 0.000) 2.884 5.854 ( 0.000 -3.336 0.000) 3.336 5.956 ( 0.000 0.853 0.000) 0.853 5.966 ( 0.000 -0.245 0.000) 0.245 6.109 ( 0.000 3.059 0.000) 3.059 6.175 ( 0.000 -3.080 0.000) 3.080 6.406 ( 0.000 1.841 0.000) 1.841 6.440 ( 0.000 -1.316 0.000) 1.316 8.302 ( 0.000 0.086 0.000) 0.086 8.304 ( 0.000 -0.103 0.000) 0.103 8.437 ( 0.000 1.307 0.000) 1.307 8.469 ( 0.000 -1.642 0.000) 1.642 8.695 ( 0.000 1.404 0.000) 1.404 8.721 ( 0.000 -1.016 0.000) 1.016 9.178 ( 0.000 1.067 0.000) 1.067 9.206 ( 0.000 -1.475 0.000) 1.475 9.401 ( 0.000 1.897 0.000) 1.897 9.433 ( 0.000 -0.771 0.000) 0.771 9.491 ( 0.000 -0.014 0.000) 0.014 9.516 ( 0.000 -2.034 0.000) 2.034 9.581 ( 0.000 1.217 0.000) 1.217 9.593 ( 0.000 0.275 0.000) 0.275 9.691 ( 0.000 0.469 0.000) 0.469 9.705 ( 0.000 -0.744 0.000) 0.744 10.390 ( 0.000 2.763 0.000) 2.763 10.459 ( 0.000 -3.995 0.000) 3.995 10.600 ( 0.000 2.524 0.000) 2.524 10.637 ( 0.000 -1.214 0.000) 1.214 ======================= Grid point 12 (8/84) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 7.089 14.412 14.599) 21.704 0.567 ( 12.650 14.526 6.798) 20.427 0.845 ( 5.876 -14.448 9.250) 18.134 0.889 ( 8.374 -16.011 3.740) 18.451 1.070 ( 24.634 20.368 9.510) 33.348 1.392 ( 4.482 -4.511 4.734) 7.927 1.423 ( 2.969 8.311 1.876) 9.023 1.577 ( 3.983 -7.260 -0.794) 8.319 1.697 ( 12.118 -2.879 1.687) 12.569 1.747 ( 6.683 -6.725 2.088) 9.708 1.770 ( -0.267 1.608 -2.640) 3.102 1.817 ( -2.728 -2.135 -1.738) 3.876 2.075 ( 0.304 2.200 1.987) 2.980 2.098 ( 0.326 -0.424 -0.383) 0.658 2.200 ( -0.732 5.720 -2.391) 6.242 2.264 ( 3.006 -1.201 -1.201) 3.452 2.375 ( 2.008 0.916 -5.915) 6.313 2.399 ( 3.845 -1.382 -5.710) 7.021 2.442 ( -3.148 2.162 -2.177) 4.396 2.494 ( -1.980 -2.093 -1.396) 3.202 2.567 ( 4.965 3.359 -2.186) 6.380 2.600 ( 1.123 0.321 -1.516) 1.914 2.656 ( 6.435 1.310 -3.018) 7.227 2.705 ( 5.914 -3.836 -1.316) 7.171 2.826 ( 4.143 3.751 -1.753) 5.857 2.882 ( 6.741 1.864 3.785) 7.953 2.904 ( 3.024 -3.608 -0.991) 4.811 2.930 ( 4.980 -3.512 -2.596) 6.624 2.966 ( 1.582 1.194 1.309) 2.375 3.010 ( 3.466 -2.407 0.237) 4.227 3.129 ( 7.038 2.241 1.149) 7.475 3.190 ( 4.744 -3.308 2.253) 6.206 3.370 ( -0.505 4.637 2.858) 5.471 3.408 ( -1.756 1.170 1.012) 2.341 3.450 ( -1.096 1.754 -1.990) 2.871 3.482 ( 1.571 1.264 0.159) 2.023 3.604 ( 1.927 -2.518 -1.586) 3.545 3.609 ( 0.755 -2.076 -0.427) 2.250 3.756 ( 1.912 1.890 0.592) 2.753 3.777 ( 1.783 -0.474 0.492) 1.910 4.187 ( 0.744 0.312 -4.038) 4.118 4.192 ( -0.155 -0.116 -4.719) 4.723 4.364 ( -0.854 2.081 4.556) 5.081 4.394 ( -0.252 -0.873 4.592) 4.681 4.853 ( -2.236 4.167 -1.455) 4.948 4.969 ( -0.406 -7.041 -0.928) 7.113 5.208 ( -0.969 1.632 -0.330) 1.926 5.242 ( -0.322 -1.485 -0.373) 1.565 5.264 ( -3.015 1.552 0.088) 3.392 5.297 ( -6.094 -1.160 -0.234) 6.208 5.434 ( -0.877 0.491 -0.592) 1.166 5.446 ( -2.398 -0.411 -0.349) 2.458 5.503 ( -1.974 1.545 -1.498) 2.921 5.528 ( -1.314 0.019 -1.593) 2.065 5.573 ( -0.404 2.141 1.343) 2.559 5.626 ( -1.293 -1.812 -0.349) 2.254 5.822 ( 2.148 1.115 3.783) 4.491 5.874 ( -1.313 -3.402 3.501) 5.056 5.979 ( 0.354 0.840 1.618) 1.857 6.009 ( 0.009 -2.112 3.299) 3.918 6.140 ( 3.855 2.167 -1.354) 4.625 6.190 ( 1.981 -2.220 -0.029) 2.975 6.341 ( 0.222 4.068 -5.382) 6.751 6.396 ( 1.337 -1.502 -11.236) 11.415 8.280 ( 0.763 2.249 -0.243) 2.387 8.329 ( 1.184 -2.645 1.107) 3.102 8.470 ( 1.249 4.209 4.150) 6.041 8.549 ( -1.950 -3.012 7.254) 8.093 8.697 ( 2.102 1.785 -1.916) 3.358 8.775 ( 4.943 -6.472 -4.047) 9.094 9.194 ( -0.352 1.419 0.412) 1.519 9.199 ( 1.427 0.399 0.728) 1.651 9.395 ( 1.171 1.327 -0.223) 1.784 9.424 ( 0.672 -1.304 0.419) 1.526 9.488 ( 2.098 2.100 -0.926) 3.109 9.528 ( 0.900 -1.597 -1.805) 2.573 9.626 ( 2.959 2.744 2.606) 4.804 9.692 ( 2.238 -3.027 1.404) 4.018 9.720 ( 1.868 1.447 2.214) 3.239 9.775 ( 3.710 -5.427 4.576) 8.010 10.337 ( -11.980 10.507 -3.541) 16.323 10.367 ( -1.577 2.109 -2.184) 3.421 10.433 ( -4.114 -2.217 -0.542) 4.705 10.475 ( -9.619 -2.333 -1.967) 10.091 ======================= Grid point 13 (9/84) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 10.905 8.456 16.705) 21.668 0.896 ( 15.209 8.465 9.264) 19.717 1.074 ( 9.373 -11.823 11.065) 18.710 1.127 ( 12.248 -12.255 6.808) 18.616 1.506 ( 5.518 6.011 4.880) 9.508 1.552 ( 7.233 3.380 4.289) 9.063 1.609 ( 20.607 7.125 9.059) 23.611 1.667 ( 6.675 -0.299 1.083) 6.769 1.761 ( 2.242 1.276 0.196) 2.587 1.797 ( 3.004 -1.817 -0.842) 3.611 1.866 ( 5.862 -1.776 1.066) 6.217 1.951 ( 10.202 -7.664 0.846) 12.788 2.104 ( 2.528 1.476 0.101) 2.929 2.144 ( 2.029 -1.092 2.142) 3.146 2.200 ( 2.896 4.643 0.105) 5.474 2.278 ( 2.094 -2.945 -2.076) 4.168 2.385 ( 4.234 1.234 -5.151) 6.781 2.410 ( 3.863 -0.009 -7.539) 8.471 2.445 ( 4.328 -1.715 -1.656) 4.941 2.487 ( 2.809 -4.166 -4.782) 6.936 2.651 ( 6.012 5.225 -1.980) 8.208 2.698 ( 8.833 3.472 -0.176) 9.492 2.772 ( 3.473 -2.726 -2.300) 4.979 2.800 ( 9.395 -2.212 -2.135) 9.885 2.863 ( 5.621 4.001 -2.974) 7.513 2.942 ( 5.511 -3.236 -3.719) 7.395 2.994 ( 6.067 0.810 -1.967) 6.429 3.038 ( 4.805 -0.322 1.759) 5.127 3.079 ( 10.344 -0.981 0.658) 10.411 3.138 ( 10.438 -3.656 2.218) 11.280 3.269 ( 8.041 1.184 -1.018) 8.191 3.306 ( 7.271 -2.793 -1.972) 8.035 3.413 ( 1.939 3.085 4.347) 5.672 3.436 ( 6.322 0.679 2.302) 6.763 3.489 ( 3.953 5.294 1.297) 6.733 3.540 ( 5.744 1.191 -0.890) 5.933 3.595 ( 2.700 -1.426 -6.179) 6.892 3.633 ( 2.457 -4.192 2.292) 5.373 3.790 ( 2.212 2.268 -0.125) 3.170 3.822 ( 3.154 -0.985 -1.036) 3.463 4.161 ( 0.169 1.130 -2.257) 2.530 4.185 ( 1.968 -1.080 -1.750) 2.846 4.406 ( -0.516 0.251 2.865) 2.922 4.408 ( -0.519 0.121 2.769) 2.820 4.831 ( 0.767 5.076 -0.090) 5.134 4.959 ( -0.313 -6.879 0.002) 6.886 5.161 ( -4.949 1.211 0.370) 5.109 5.175 ( -7.106 0.350 -0.140) 7.116 5.213 ( -2.895 -0.471 0.369) 2.956 5.219 ( -3.111 -0.655 -0.380) 3.201 5.328 ( -9.564 -0.053 -0.872) 9.604 5.332 ( -8.960 -0.364 -1.086) 9.033 5.466 ( -0.758 1.707 -1.335) 2.296 5.513 ( -0.121 -2.563 -1.547) 2.996 5.574 ( -0.123 2.698 0.321) 2.719 5.606 ( -0.076 -0.175 -1.224) 1.238 5.883 ( 1.609 0.451 1.854) 2.496 5.900 ( 0.563 -1.180 3.378) 3.622 5.990 ( -0.341 1.572 1.408) 2.138 6.023 ( -0.285 -1.296 1.304) 1.861 6.164 ( 0.723 2.014 -3.006) 3.690 6.217 ( 1.368 -2.918 -4.566) 5.589 6.323 ( 0.789 1.328 -4.932) 5.168 6.337 ( 2.320 -0.185 -1.625) 2.838 8.305 ( 2.042 1.697 -0.533) 2.708 8.351 ( 1.252 -2.686 -0.542) 3.013 8.520 ( -0.436 2.693 3.875) 4.739 8.557 ( -1.277 -0.863 2.344) 2.806 8.735 ( 3.571 2.415 -0.742) 4.375 8.813 ( 2.524 -4.952 -0.902) 5.631 9.207 ( 1.195 1.978 0.797) 2.444 9.234 ( 1.776 -0.685 0.652) 2.012 9.439 ( 2.959 1.107 1.453) 3.478 9.466 ( 2.457 -1.440 2.007) 3.484 9.524 ( 2.737 0.893 -0.296) 2.894 9.540 ( 2.469 -0.625 -1.768) 3.100 9.691 ( 1.976 1.725 1.851) 3.210 9.721 ( 0.907 -0.870 0.543) 1.370 9.775 ( 1.566 1.731 2.032) 3.095 9.840 ( 0.627 -4.704 2.216) 5.237 10.183 ( -5.021 6.810 -0.858) 8.505 10.281 ( -5.178 -1.976 -3.629) 6.624 10.334 ( -4.319 -0.463 -1.203) 4.507 10.352 ( -4.190 -1.437 -1.951) 4.840 ======================= Grid point 14 (10/84) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 10.476 4.698 14.930) 18.834 1.230 ( 13.722 4.624 8.390) 16.735 1.340 ( 9.367 -6.377 10.296) 15.311 1.404 ( 13.451 -8.148 5.061) 16.521 1.636 ( 4.426 4.952 5.348) 8.527 1.684 ( 4.606 0.101 3.087) 5.545 1.769 ( 5.828 2.679 -0.626) 6.445 1.818 ( 4.559 -1.288 2.384) 5.303 1.868 ( 4.797 0.279 3.012) 5.672 1.932 ( 3.334 -3.225 3.220) 5.647 2.024 ( 10.485 2.416 2.248) 10.992 2.049 ( 3.465 0.365 -1.826) 3.933 2.151 ( 1.937 0.585 -0.246) 2.038 2.167 ( -0.631 0.080 2.506) 2.585 2.254 ( 2.153 1.049 -3.770) 4.466 2.301 ( 1.838 -1.431 -2.177) 3.188 2.406 ( 3.338 1.329 -3.965) 5.351 2.419 ( 3.484 -0.326 -5.534) 6.547 2.487 ( 0.756 -1.924 -4.490) 4.943 2.519 ( 4.335 -4.451 -2.183) 6.586 2.704 ( 3.001 3.808 -2.431) 5.424 2.774 ( 4.034 0.742 -2.536) 4.822 2.826 ( 2.800 -0.461 0.815) 2.953 2.887 ( 6.286 0.405 -0.379) 6.311 3.007 ( 4.111 1.748 -2.135) 4.951 3.061 ( 11.615 -0.183 -1.894) 11.770 3.095 ( 5.077 1.168 0.380) 5.223 3.179 ( 11.442 -3.434 -0.132) 11.947 3.244 ( 8.096 1.244 0.909) 8.241 3.281 ( 1.225 -2.824 0.359) 3.099 3.426 ( 13.876 0.034 0.071) 13.877 3.433 ( 12.073 0.489 -3.906) 12.699 3.508 ( 5.589 3.487 -1.413) 6.738 3.580 ( 6.320 -2.936 -3.359) 7.736 3.613 ( 11.614 0.368 1.723) 11.746 3.642 ( 10.746 -1.826 1.016) 10.947 3.717 ( 11.419 2.241 0.583) 11.651 3.763 ( 8.348 -2.179 2.090) 8.877 3.844 ( 5.287 2.275 -0.214) 5.759 3.878 ( 4.956 -1.053 -0.326) 5.077 4.149 ( -0.462 2.853 -0.055) 2.890 4.207 ( 0.780 -2.376 -0.015) 2.500 4.383 ( -0.889 3.376 0.351) 3.508 4.451 ( 1.858 -2.911 0.255) 3.463 4.852 ( 0.237 4.619 0.520) 4.654 4.950 ( -2.665 -4.401 1.323) 5.312 5.038 ( -9.625 0.709 0.762) 9.681 5.046 ( -9.584 -0.172 0.572) 9.603 5.095 ( -9.229 2.195 -0.343) 9.493 5.145 ( -9.815 0.070 -1.246) 9.894 5.153 ( -5.452 -2.727 0.671) 6.133 5.165 ( -8.016 -1.306 0.032) 8.121 5.451 ( 0.429 0.836 -1.167) 1.498 5.487 ( -0.787 -2.490 -1.547) 3.035 5.584 ( 0.834 1.886 0.270) 2.080 5.596 ( 0.186 0.749 -0.926) 1.205 5.904 ( 0.819 1.021 -1.787) 2.215 5.926 ( 0.489 -1.141 -0.864) 1.512 5.995 ( -0.305 2.080 -1.143) 2.393 6.026 ( 0.521 -0.800 -1.291) 1.606 6.128 ( -1.395 0.787 -4.013) 4.321 6.165 ( -0.268 -2.637 -0.628) 2.724 6.344 ( 1.994 1.922 0.970) 2.935 6.376 ( 1.875 -1.141 1.013) 2.417 8.332 ( 1.744 1.290 -0.965) 2.375 8.366 ( 1.325 -1.972 -0.922) 2.548 8.526 ( -0.850 1.889 0.949) 2.279 8.556 ( -0.641 -0.955 0.965) 1.501 8.797 ( 3.283 1.920 0.671) 3.861 8.848 ( 1.516 -2.768 0.626) 3.218 9.243 ( 1.679 1.525 1.226) 2.578 9.269 ( 1.656 -0.960 0.463) 1.970 9.513 ( 3.473 0.924 2.104) 4.164 9.535 ( 3.056 -1.070 2.243) 3.939 9.577 ( 3.469 -0.082 -0.207) 3.476 9.578 ( 3.220 -0.105 -0.678) 3.293 9.725 ( 0.652 0.868 0.764) 1.328 9.736 ( 0.237 0.135 0.537) 0.602 9.803 ( 0.297 1.250 0.560) 1.402 9.848 ( -0.924 -2.793 0.385) 2.967 10.121 ( -2.172 3.230 0.359) 3.909 10.174 ( -3.881 -1.567 -1.995) 4.636 10.258 ( -3.241 -0.180 -1.768) 3.696 10.265 ( -3.526 -0.543 -2.222) 4.203 ======================= Grid point 15 (11/84) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 6.615 1.682 10.030) 12.132 1.486 ( 7.483 0.246 5.424) 9.246 1.565 ( 8.090 0.843 5.673) 9.917 1.664 ( 11.269 -6.126 2.895) 13.149 1.743 ( 2.563 2.855 4.794) 6.141 1.761 ( 2.163 0.184 0.679) 2.275 1.849 ( 3.192 2.249 0.667) 3.961 1.924 ( 4.286 -3.532 3.250) 6.435 1.973 ( 3.827 1.177 3.621) 5.399 2.011 ( 3.023 -1.558 3.611) 4.960 2.063 ( 1.434 1.484 -4.832) 5.254 2.100 ( 0.319 -2.148 -3.169) 3.841 2.164 ( 0.004 1.295 0.289) 1.327 2.182 ( -0.860 1.689 2.735) 3.327 2.229 ( 0.099 2.375 -3.677) 4.379 2.287 ( -0.938 -1.524 -2.292) 2.908 2.387 ( -2.801 0.519 -4.522) 5.345 2.407 ( 0.186 -1.206 -3.991) 4.174 2.449 ( 1.178 2.672 -2.462) 3.819 2.547 ( 1.603 -6.640 -1.873) 7.083 2.721 ( 1.062 3.058 -2.131) 3.876 2.807 ( 0.873 -5.367 -1.564) 5.658 2.900 ( 4.001 4.324 0.985) 5.973 2.987 ( 4.901 0.016 0.870) 4.977 3.049 ( 2.101 3.117 -0.340) 3.774 3.099 ( -1.028 1.110 0.168) 1.522 3.173 ( 2.248 0.972 -2.502) 3.502 3.263 ( -0.466 -4.574 0.385) 4.614 3.361 ( 5.179 2.880 0.364) 5.938 3.417 ( 7.244 -2.458 -0.442) 7.663 3.548 ( 9.198 3.267 -1.413) 9.863 3.629 ( 6.938 -4.694 -0.173) 8.378 3.713 ( 12.936 0.500 -0.640) 12.961 3.728 ( 12.766 -0.881 -0.336) 12.801 3.794 ( 4.864 2.727 1.463) 5.765 3.831 ( 7.109 -1.116 1.677) 7.389 3.898 ( 12.485 1.545 -2.110) 12.756 3.931 ( 14.225 -1.626 -3.841) 14.824 3.991 ( 5.648 -0.277 1.981) 5.992 4.011 ( 8.112 -2.189 4.013) 9.312 4.153 ( 1.805 4.268 -0.548) 4.666 4.211 ( 0.317 -0.245 1.688) 1.735 4.385 ( -0.146 2.397 -1.306) 2.734 4.463 ( -0.705 -4.290 -0.855) 4.431 4.811 ( -7.104 2.302 -0.261) 7.472 4.828 ( -11.306 0.084 0.491) 11.317 4.859 ( -5.424 0.866 1.276) 5.639 4.881 ( -8.898 -0.610 0.308) 8.924 4.954 ( -8.885 1.823 -0.798) 9.105 5.009 ( -6.970 2.122 0.481) 7.302 5.034 ( -4.387 -3.384 0.367) 5.552 5.077 ( -4.144 -2.676 1.264) 5.092 5.451 ( 0.522 0.641 -0.948) 1.258 5.477 ( 1.013 -2.062 -0.874) 2.458 5.591 ( 0.490 1.516 -0.686) 1.734 5.607 ( 0.337 0.046 1.134) 1.184 5.885 ( -0.112 0.846 -3.111) 3.226 5.906 ( -0.691 -1.178 -3.082) 3.371 5.962 ( -0.474 0.946 -3.925) 4.065 5.972 ( -1.609 0.094 -2.846) 3.271 6.135 ( 1.543 1.798 2.190) 3.226 6.184 ( 0.431 -2.702 2.177) 3.497 6.383 ( 1.120 1.506 1.177) 2.215 6.410 ( 0.919 -1.038 0.805) 1.603 8.348 ( 0.953 1.130 -0.747) 1.656 8.378 ( 0.808 -1.804 -0.635) 2.076 8.519 ( -0.370 1.995 0.052) 2.030 8.552 ( -0.367 -1.139 0.202) 1.214 8.850 ( 1.970 0.838 0.690) 2.249 8.873 ( 0.552 -1.237 0.658) 1.506 9.279 ( 1.101 0.860 1.225) 1.858 9.295 ( 0.946 -0.569 0.011) 1.104 9.584 ( 2.358 0.662 1.484) 2.864 9.597 ( 1.993 -0.538 0.859) 2.236 9.629 ( 3.269 0.409 -0.018) 3.295 9.645 ( 3.607 -1.111 0.928) 3.887 9.733 ( -0.004 0.684 0.254) 0.729 9.742 ( -0.187 0.226 0.876) 0.924 9.795 ( -0.966 0.680 -0.826) 1.441 9.819 ( -1.984 -1.336 -0.792) 2.520 10.107 ( -0.605 0.692 0.642) 1.122 10.113 ( -1.598 0.214 -0.360) 1.652 10.190 ( -2.515 0.162 -1.778) 3.084 10.201 ( -1.931 -0.816 -1.304) 2.469 ======================= Grid point 16 (12/84) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 0.000 -0.311 -0.000) 0.311 1.571 ( 0.000 -1.044 0.000) 1.044 1.676 ( -0.000 4.294 0.000) 4.294 1.770 ( -0.000 0.590 -0.000) 0.590 1.777 ( 0.000 2.391 0.000) 2.391 1.816 ( -0.000 -8.010 0.000) 8.010 1.880 ( 0.000 3.533 0.000) 3.533 1.994 ( 0.000 -5.749 0.000) 5.749 2.031 ( 0.000 1.454 -0.000) 1.454 2.044 ( 0.000 1.206 0.000) 1.206 2.064 ( 0.000 -1.797 0.000) 1.797 2.073 ( 0.000 -1.458 0.000) 1.458 2.166 ( 0.000 2.369 0.000) 2.369 2.171 ( -0.000 4.025 0.000) 4.025 2.229 ( 0.000 -0.458 0.000) 0.458 2.230 ( -0.000 0.265 -0.000) 0.265 2.332 ( -0.000 1.994 0.000) 1.994 2.382 ( 0.000 -2.585 0.000) 2.585 2.452 ( 0.000 2.931 -0.000) 2.931 2.552 ( 0.000 -7.019 0.000) 7.019 2.716 ( 0.000 3.024 0.000) 3.024 2.802 ( 0.000 -5.530 0.000) 5.530 2.942 ( 0.000 4.328 0.000) 4.328 3.043 ( -0.000 -0.825 0.000) 0.825 3.069 ( 0.000 0.529 0.000) 0.529 3.085 ( 0.000 6.281 -0.000) 6.281 3.171 ( 0.000 -0.116 0.000) 0.116 3.261 ( 0.000 -5.012 0.000) 5.012 3.397 ( 0.000 3.036 0.000) 3.036 3.465 ( 0.000 -3.264 0.000) 3.264 3.646 ( 0.000 2.045 0.000) 2.045 3.691 ( 0.000 -2.128 0.000) 2.128 3.830 ( 0.000 0.220 0.000) 0.220 3.833 ( 0.000 -0.142 0.000) 0.142 3.880 ( -0.000 0.754 0.000) 0.754 3.891 ( 0.000 -0.202 0.000) 0.202 4.011 ( 0.000 2.645 0.000) 2.645 4.063 ( -0.000 -2.049 0.000) 2.049 4.104 ( 0.000 0.155 0.000) 0.155 4.129 ( 0.000 -2.889 0.000) 2.889 4.178 ( 0.000 2.338 0.000) 2.338 4.221 ( 0.000 -1.819 0.000) 1.819 4.343 ( 0.000 5.027 0.000) 5.027 4.430 ( 0.000 -3.274 0.000) 3.274 4.727 ( -0.000 0.006 0.000) 0.006 4.727 ( 0.000 0.028 -0.000) 0.028 4.785 ( 0.000 1.448 0.000) 1.448 4.819 ( -0.000 -1.390 0.000) 1.390 4.856 ( -0.000 2.706 0.000) 2.706 4.931 ( -0.000 -3.520 0.000) 3.520 5.003 ( 0.000 2.625 0.000) 2.625 5.043 ( 0.000 -1.329 0.000) 1.329 5.454 ( 0.000 0.558 -0.000) 0.558 5.486 ( -0.000 -2.516 0.000) 2.516 5.592 ( 0.000 1.304 0.000) 1.304 5.615 ( 0.000 -0.603 0.000) 0.603 5.866 ( -0.000 0.262 0.000) 0.262 5.872 ( 0.000 -0.366 0.000) 0.366 5.937 ( 0.000 1.595 0.000) 1.595 5.954 ( 0.000 -0.030 0.000) 0.030 6.163 ( 0.000 1.168 0.000) 1.168 6.199 ( -0.000 -2.126 0.000) 2.126 6.399 ( 0.000 1.200 0.000) 1.200 6.421 ( 0.000 -0.882 0.000) 0.882 8.353 ( 0.000 1.093 0.000) 1.093 8.382 ( 0.000 -1.796 0.000) 1.796 8.516 ( 0.000 2.040 0.000) 2.040 8.549 ( 0.000 -1.153 0.000) 1.153 8.874 ( -0.000 -0.047 0.000) 0.047 8.877 ( 0.000 -0.280 0.000) 0.280 9.297 ( 0.000 0.296 0.000) 0.296 9.301 ( 0.000 -0.048 -0.000) 0.048 9.611 ( -0.000 0.246 0.000) 0.246 9.617 ( 0.000 -0.280 0.000) 0.280 9.666 ( 0.000 1.050 0.000) 1.050 9.693 ( -0.000 -1.434 0.000) 1.434 9.736 ( 0.000 0.313 0.000) 0.313 9.747 ( 0.000 -0.614 0.000) 0.614 9.774 ( -0.000 0.760 0.000) 0.760 9.784 ( 0.000 -0.280 0.000) 0.280 10.092 ( 0.000 1.131 0.000) 1.131 10.117 ( 0.000 -1.147 0.000) 1.147 10.153 ( 0.000 1.210 0.000) 1.210 10.178 ( 0.000 -1.061 0.000) 1.061 ======================= Grid point 33 (13/84) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( 1.059 0.000 17.364) 17.396 0.433 ( 2.059 0.000 21.379) 21.477 0.773 ( 3.595 0.000 36.348) 36.526 0.974 ( 4.123 0.000 4.630) 6.200 1.179 ( -0.823 0.000 9.873) 9.907 1.280 ( -1.483 0.000 6.007) 6.188 1.450 ( -1.541 0.000 -0.715) 1.698 1.522 ( 2.358 0.000 -3.162) 3.945 1.663 ( 2.692 0.000 4.094) 4.900 1.752 ( -5.740 0.000 -1.599) 5.958 1.875 ( 1.271 0.000 4.583) 4.756 1.914 ( -3.393 0.000 -2.169) 4.027 2.010 ( -5.397 0.000 3.534) 6.451 2.084 ( 0.013 0.000 0.296) 0.296 2.139 ( -1.176 0.000 0.146) 1.185 2.171 ( 2.369 0.000 -3.870) 4.537 2.329 ( -5.150 0.000 -4.253) 6.679 2.355 ( -2.233 0.000 -5.170) 5.631 2.373 ( 2.255 0.000 -8.872) 9.154 2.381 ( -1.591 0.000 -0.911) 1.833 2.510 ( -1.276 0.000 -1.633) 2.073 2.589 ( -2.323 0.000 -0.550) 2.387 2.647 ( -1.470 0.000 3.284) 3.598 2.693 ( -1.642 0.000 -3.068) 3.480 2.756 ( -0.540 0.000 -4.450) 4.483 2.759 ( 5.121 0.000 -1.182) 5.256 2.895 ( 1.212 0.000 2.314) 2.612 2.935 ( -0.888 0.000 -1.545) 1.782 2.981 ( -0.488 0.000 -2.035) 2.093 2.998 ( -4.227 0.000 0.843) 4.310 3.056 ( 3.620 0.000 3.310) 4.905 3.114 ( 9.536 0.000 -3.182) 10.053 3.336 ( -2.338 0.000 0.048) 2.339 3.402 ( -1.416 0.000 -2.711) 3.059 3.417 ( 1.414 0.000 0.619) 1.544 3.490 ( -4.432 0.000 -2.366) 5.024 3.620 ( -2.230 0.000 -4.740) 5.239 3.657 ( 3.558 0.000 1.299) 3.787 3.677 ( 0.694 0.000 2.229) 2.335 3.771 ( 0.491 0.000 0.684) 0.842 4.108 ( 1.669 0.000 -5.019) 5.289 4.132 ( 1.491 0.000 -2.112) 2.585 4.415 ( -1.121 0.000 5.599) 5.710 4.442 ( 0.037 0.000 5.299) 5.299 4.859 ( -3.006 0.000 0.978) 3.162 5.086 ( -1.605 0.000 0.938) 1.859 5.192 ( -0.551 0.000 -1.424) 1.527 5.236 ( 0.440 0.000 0.072) 0.446 5.290 ( -1.603 0.000 0.829) 1.805 5.382 ( -0.949 0.000 -0.326) 1.003 5.385 ( 1.398 0.000 0.788) 1.605 5.442 ( 0.994 0.000 0.279) 1.032 5.521 ( 1.543 0.000 -2.285) 2.757 5.548 ( -3.176 0.000 3.115) 4.449 5.620 ( 0.058 0.000 -3.753) 3.754 5.655 ( -9.690 0.000 0.586) 9.707 5.778 ( 3.716 0.000 0.900) 3.824 5.869 ( 13.935 0.000 -0.347) 13.939 5.981 ( 0.893 0.000 1.098) 1.415 6.008 ( 5.570 0.000 4.988) 7.477 6.032 ( 1.432 0.000 -3.864) 4.121 6.173 ( 3.081 0.000 -2.368) 3.886 6.227 ( -3.312 0.000 -0.056) 3.313 6.404 ( -18.472 0.000 -7.029) 19.765 8.237 ( -0.154 0.000 -0.039) 0.159 8.337 ( 5.642 0.000 2.620) 6.220 8.404 ( -0.833 0.000 -1.700) 1.894 8.448 ( 20.893 0.000 -2.539) 21.047 8.680 ( -0.578 0.000 1.225) 1.355 8.818 ( -7.204 0.000 2.502) 7.626 9.137 ( 0.434 0.000 -0.888) 0.988 9.152 ( 2.017 0.000 -1.344) 2.424 9.382 ( 0.025 0.000 0.382) 0.383 9.431 ( 1.214 0.000 1.035) 1.595 9.477 ( -3.171 0.000 -0.809) 3.272 9.559 ( -2.776 0.000 -0.388) 2.803 9.601 ( 1.383 0.000 4.226) 4.446 9.701 ( 1.875 0.000 2.616) 3.219 9.728 ( -0.695 0.000 2.036) 2.151 10.108 ( -0.295 0.000 1.125) 1.163 10.164 ( -2.273 0.000 -1.396) 2.667 10.319 ( -0.168 0.000 -4.226) 4.229 10.509 ( -0.531 0.000 -2.340) 2.400 10.538 ( 0.437 0.000 -5.523) 5.540 ======================= Grid point 34 (14/84) ======================= q-point: ( 0.10 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 9.757 0.000 18.349) 20.782 0.738 ( 17.490 0.000 16.088) 23.764 1.189 ( 11.889 0.000 7.611) 14.117 1.204 ( 14.067 0.000 16.796) 21.908 1.306 ( -0.465 0.000 4.158) 4.184 1.332 ( 9.207 0.000 15.726) 18.223 1.407 ( 1.546 0.000 1.854) 2.414 1.594 ( 5.551 0.000 -3.430) 6.525 1.680 ( 1.787 0.000 -3.814) 4.212 1.821 ( 8.081 0.000 3.910) 8.977 1.840 ( -3.492 0.000 1.665) 3.869 1.987 ( 6.098 0.000 4.681) 7.687 2.060 ( 2.571 0.000 1.888) 3.190 2.093 ( 1.572 0.000 -0.212) 1.586 2.117 ( -1.061 0.000 0.130) 1.069 2.248 ( 7.487 0.000 -3.731) 8.365 2.258 ( 3.337 0.000 -2.996) 4.485 2.283 ( 0.112 0.000 -2.764) 2.766 2.349 ( 3.097 0.000 -5.604) 6.403 2.407 ( 4.600 0.000 -1.507) 4.840 2.487 ( 1.003 0.000 -1.397) 1.720 2.551 ( -0.038 0.000 -2.516) 2.517 2.672 ( 3.439 0.000 -3.849) 5.161 2.704 ( 4.267 0.000 3.254) 5.366 2.746 ( 3.619 0.000 -3.405) 4.969 2.848 ( 6.528 0.000 -5.996) 8.864 2.927 ( -1.833 0.000 -2.439) 3.051 2.949 ( 4.921 0.000 -2.352) 5.454 2.967 ( 4.961 0.000 3.845) 6.277 3.025 ( 5.081 0.000 0.457) 5.101 3.199 ( 8.213 0.000 3.891) 9.088 3.215 ( 8.501 0.000 -3.703) 9.272 3.306 ( 1.029 0.000 -4.307) 4.428 3.381 ( -2.121 0.000 -2.548) 3.315 3.392 ( -0.505 0.000 3.238) 3.277 3.441 ( 1.138 0.000 -4.168) 4.320 3.526 ( -1.264 0.000 -6.544) 6.665 3.704 ( 1.007 0.000 2.538) 2.730 3.728 ( 2.670 0.000 2.189) 3.453 3.790 ( 0.555 0.000 1.322) 1.434 4.121 ( 2.166 0.000 -0.413) 2.205 4.158 ( 1.348 0.000 1.548) 2.053 4.432 ( -1.285 0.000 3.208) 3.456 4.478 ( -1.082 0.000 2.167) 2.422 4.795 ( -3.653 0.000 0.177) 3.658 5.074 ( -0.898 0.000 1.075) 1.401 5.170 ( -0.730 0.000 -0.935) 1.186 5.233 ( -0.899 0.000 -0.797) 1.202 5.266 ( -1.577 0.000 0.614) 1.692 5.299 ( -5.957 0.000 -0.073) 5.957 5.429 ( 0.329 0.000 1.167) 1.213 5.434 ( -3.974 0.000 -0.504) 4.006 5.473 ( -4.936 0.000 -1.584) 5.184 5.537 ( -0.346 0.000 3.471) 3.489 5.575 ( -2.230 0.000 0.297) 2.250 5.582 ( -0.968 0.000 -3.396) 3.531 5.838 ( 2.559 0.000 -1.165) 2.812 5.947 ( 0.869 0.000 -1.993) 2.175 5.984 ( -1.000 0.000 -0.859) 1.318 6.018 ( -0.593 0.000 -0.484) 0.766 6.143 ( 3.148 0.000 -9.271) 9.790 6.173 ( -1.333 0.000 1.383) 1.921 6.217 ( 1.906 0.000 0.528) 1.977 6.246 ( 6.142 0.000 -0.708) 6.183 8.247 ( 1.424 0.000 -0.457) 1.496 8.372 ( -0.526 0.000 -1.850) 1.923 8.483 ( 6.628 0.000 2.809) 7.199 8.554 ( 0.680 0.000 -4.072) 4.129 8.702 ( -0.226 0.000 -0.411) 0.469 8.822 ( 3.227 0.000 2.175) 3.891 9.147 ( 1.843 0.000 -0.854) 2.031 9.187 ( 2.965 0.000 -1.214) 3.204 9.409 ( 1.641 0.000 1.245) 2.060 9.460 ( 1.826 0.000 0.573) 1.914 9.473 ( 2.476 0.000 0.619) 2.553 9.525 ( -1.023 0.000 0.698) 1.239 9.669 ( 1.784 0.000 3.735) 4.139 9.731 ( -0.146 0.000 1.311) 1.319 9.761 ( 1.314 0.000 2.858) 3.145 10.046 ( -7.738 0.000 2.779) 8.222 10.108 ( -0.890 0.000 1.212) 1.504 10.266 ( -0.885 0.000 -5.527) 5.597 10.413 ( -5.722 0.000 -3.799) 6.869 10.434 ( -4.576 0.000 -2.800) 5.365 ======================= Grid point 35 (15/84) ======================= q-point: ( 0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 11.715 0.000 14.792) 18.869 1.123 ( 11.148 0.000 14.606) 18.374 1.385 ( 6.538 0.000 2.845) 7.130 1.418 ( 8.232 0.000 4.109) 9.201 1.495 ( 4.751 0.000 2.794) 5.512 1.520 ( 12.053 0.000 8.470) 14.732 1.664 ( 5.002 0.000 -1.510) 5.225 1.709 ( 13.698 0.000 -0.444) 13.706 1.777 ( 11.799 0.000 6.415) 13.430 1.846 ( 1.531 0.000 4.773) 5.013 1.948 ( 3.955 0.000 1.896) 4.386 2.076 ( 0.928 0.000 0.323) 0.982 2.090 ( 2.062 0.000 -0.915) 2.256 2.124 ( 0.936 0.000 -0.648) 1.138 2.162 ( 6.680 0.000 -1.439) 6.833 2.295 ( 4.529 0.000 -2.400) 5.126 2.297 ( -1.046 0.000 0.417) 1.126 2.341 ( 1.098 0.000 2.540) 2.768 2.430 ( 13.062 0.000 -3.878) 13.625 2.467 ( 3.010 0.000 -4.543) 5.449 2.530 ( 5.102 0.000 -0.498) 5.126 2.561 ( 3.526 0.000 -0.996) 3.664 2.752 ( 5.910 0.000 0.007) 5.910 2.839 ( 8.980 0.000 0.932) 9.028 2.852 ( 10.088 0.000 -0.008) 10.088 2.906 ( 4.176 0.000 -2.826) 5.042 2.912 ( 6.693 0.000 -4.115) 7.857 3.084 ( 6.260 0.000 1.269) 6.388 3.085 ( 13.591 0.000 -3.976) 14.160 3.139 ( 6.525 0.000 2.020) 6.831 3.223 ( -1.217 0.000 -8.982) 9.064 3.355 ( 2.509 0.000 -1.119) 2.747 3.364 ( 9.128 0.000 -4.464) 10.161 3.393 ( 9.314 0.000 -2.176) 9.565 3.458 ( 9.069 0.000 -3.324) 9.659 3.490 ( 4.132 0.000 3.816) 5.625 3.509 ( 7.612 0.000 -0.017) 7.612 3.764 ( 2.835 0.000 3.680) 4.645 3.768 ( -0.159 0.000 1.252) 1.263 3.838 ( 2.780 0.000 3.829) 4.732 4.151 ( 0.185 0.000 1.578) 1.589 4.195 ( 1.858 0.000 0.489) 1.921 4.427 ( -4.997 0.000 0.312) 5.007 4.436 ( 0.689 0.000 -0.549) 0.881 4.779 ( 0.940 0.000 0.490) 1.060 5.069 ( -1.383 0.000 1.913) 2.360 5.134 ( -3.810 0.000 -0.443) 3.836 5.170 ( -5.611 0.000 0.257) 5.617 5.221 ( -3.125 0.000 -0.285) 3.138 5.226 ( -5.052 0.000 0.356) 5.065 5.321 ( -7.605 0.000 -0.219) 7.608 5.334 ( -8.736 0.000 0.611) 8.757 5.427 ( -0.818 0.000 -0.503) 0.960 5.530 ( -0.995 0.000 -3.536) 3.674 5.544 ( -1.453 0.000 -0.746) 1.633 5.578 ( 0.878 0.000 3.480) 3.589 5.846 ( 0.972 0.000 -3.108) 3.256 5.923 ( 0.348 0.000 -4.933) 4.945 5.948 ( -1.118 0.000 -2.110) 2.388 6.002 ( -0.423 0.000 -2.079) 2.121 6.086 ( 0.756 0.000 -3.395) 3.478 6.216 ( 0.840 0.000 2.037) 2.204 6.277 ( 3.458 0.000 1.269) 3.683 6.340 ( 4.543 0.000 0.074) 4.543 8.272 ( 2.065 0.000 -0.892) 2.250 8.362 ( 0.895 0.000 -1.126) 1.438 8.520 ( -0.691 0.000 -2.216) 2.321 8.567 ( 1.375 0.000 -0.048) 1.376 8.729 ( 2.850 0.000 2.290) 3.656 8.877 ( 1.251 0.000 1.504) 1.956 9.185 ( 3.159 0.000 -0.567) 3.209 9.226 ( 2.954 0.000 -1.640) 3.379 9.467 ( 3.298 0.000 1.898) 3.806 9.515 ( 2.469 0.000 -0.565) 2.533 9.522 ( 3.934 0.000 1.050) 4.072 9.542 ( 1.397 0.000 1.795) 2.274 9.716 ( 0.616 0.000 1.997) 2.090 9.740 ( -0.367 0.000 1.891) 1.926 9.797 ( 0.575 0.000 1.331) 1.449 9.959 ( -5.130 0.000 1.795) 5.435 10.104 ( -0.725 0.000 1.337) 1.521 10.190 ( -2.115 0.000 -5.108) 5.528 10.303 ( -3.735 0.000 -2.398) 4.438 10.326 ( -4.875 0.000 -2.451) 5.457 ======================= Grid point 36 (16/84) ======================= q-point: ( 0.30 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 9.968 0.000 10.405) 14.409 1.398 ( 8.566 0.000 8.510) 12.074 1.562 ( 6.664 0.000 -0.053) 6.664 1.562 ( 9.912 0.000 1.212) 9.986 1.599 ( 5.488 0.000 1.462) 5.679 1.733 ( 3.811 0.000 0.537) 3.849 1.753 ( 5.994 0.000 7.858) 9.883 1.869 ( 7.901 0.000 -1.729) 8.088 1.956 ( 6.193 0.000 4.986) 7.951 1.974 ( 5.296 0.000 -0.860) 5.366 2.012 ( 2.933 0.000 -0.502) 2.976 2.105 ( 0.551 0.000 0.201) 0.587 2.107 ( 1.381 0.000 -3.331) 3.606 2.133 ( 0.790 0.000 0.464) 0.916 2.209 ( 1.213 0.000 -3.311) 3.526 2.273 ( 0.528 0.000 -1.486) 1.577 2.336 ( 1.510 0.000 -3.388) 3.709 2.384 ( 1.143 0.000 4.511) 4.653 2.437 ( -1.930 0.000 -0.904) 2.131 2.585 ( 5.325 0.000 -0.632) 5.363 2.617 ( 4.142 0.000 -0.250) 4.149 2.677 ( 10.568 0.000 -1.359) 10.655 2.835 ( 3.238 0.000 0.083) 3.239 2.931 ( 1.956 0.000 2.733) 3.361 2.973 ( 4.587 0.000 -3.374) 5.695 3.039 ( 7.758 0.000 1.650) 7.931 3.106 ( -0.243 0.000 -2.571) 2.582 3.116 ( 14.440 0.000 -2.922) 14.733 3.220 ( 11.913 0.000 -4.779) 12.835 3.268 ( 11.526 0.000 -5.391) 12.724 3.338 ( 4.642 0.000 6.435) 7.934 3.456 ( 12.276 0.000 -2.070) 12.449 3.462 ( 15.899 0.000 -2.157) 16.045 3.595 ( 14.574 0.000 -2.603) 14.805 3.597 ( 7.337 0.000 -2.391) 7.716 3.644 ( 11.721 0.000 -1.350) 11.798 3.720 ( 9.560 0.000 5.297) 10.929 3.787 ( 1.153 0.000 3.929) 4.095 3.874 ( 6.934 0.000 2.114) 7.250 3.925 ( 3.732 0.000 2.051) 4.258 4.157 ( -1.102 0.000 2.801) 3.010 4.232 ( 2.561 0.000 -1.022) 2.758 4.352 ( -3.235 0.000 0.161) 3.239 4.448 ( 3.006 0.000 -4.035) 5.031 4.801 ( 0.008 0.000 1.307) 1.307 5.011 ( -9.027 0.000 -0.398) 9.036 5.039 ( -5.512 0.000 0.769) 5.565 5.061 ( -8.614 0.000 0.566) 8.632 5.073 ( -11.096 0.000 0.821) 11.127 5.126 ( -8.078 0.000 -0.369) 8.086 5.199 ( -7.690 0.000 0.688) 7.720 5.209 ( -5.553 0.000 1.015) 5.645 5.422 ( 0.702 0.000 -1.125) 1.326 5.502 ( 1.725 0.000 -3.312) 3.734 5.522 ( -0.683 0.000 1.572) 1.714 5.621 ( 0.531 0.000 2.695) 2.747 5.833 ( 0.978 0.000 -2.463) 2.650 5.874 ( 0.129 0.000 -6.645) 6.646 5.920 ( -0.297 0.000 -1.160) 1.198 5.962 ( -0.410 0.000 -2.752) 2.782 6.114 ( 1.575 0.000 2.618) 3.055 6.235 ( -0.078 0.000 0.644) 0.649 6.342 ( 2.488 0.000 0.888) 2.642 6.398 ( 2.284 0.000 -0.240) 2.297 8.301 ( 2.031 0.000 -0.652) 2.133 8.377 ( 1.480 0.000 -0.340) 1.518 8.496 ( -0.384 0.000 -1.176) 1.237 8.566 ( -0.138 0.000 -0.911) 0.921 8.806 ( 2.998 0.000 1.944) 3.573 8.900 ( -0.012 0.000 1.355) 1.356 9.236 ( 3.172 0.000 -1.087) 3.353 9.256 ( 2.356 0.000 -1.816) 2.975 9.546 ( 3.506 0.000 1.867) 3.972 9.561 ( 2.969 0.000 0.060) 2.970 9.586 ( 2.194 0.000 0.740) 2.316 9.606 ( 4.286 0.000 1.375) 4.501 9.729 ( -0.176 0.000 0.558) 0.586 9.754 ( -0.373 0.000 2.660) 2.686 9.802 ( -0.705 0.000 -0.044) 0.706 9.889 ( -4.235 0.000 0.410) 4.255 10.110 ( 0.013 0.000 1.468) 1.468 10.115 ( -1.887 0.000 -3.239) 3.749 10.229 ( -3.919 0.000 -2.021) 4.409 10.235 ( -2.385 0.000 -1.409) 2.770 ======================= Grid point 37 (17/84) ======================= q-point: ( 0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 2.176 0.000 -0.715) 2.290 1.555 ( 3.065 0.000 2.160) 3.749 1.640 ( 3.710 0.000 -3.572) 5.150 1.656 ( 2.359 0.000 0.303) 2.378 1.719 ( 4.404 0.000 -0.579) 4.442 1.859 ( 1.656 0.000 1.300) 2.105 1.861 ( 8.819 0.000 3.855) 9.625 1.968 ( 4.437 0.000 0.731) 4.497 2.022 ( 1.787 0.000 -1.528) 2.352 2.036 ( 0.515 0.000 -3.225) 3.266 2.078 ( 1.376 0.000 -0.344) 1.418 2.090 ( -1.097 0.000 -1.440) 1.810 2.100 ( 3.330 0.000 1.439) 3.628 2.118 ( -1.206 0.000 -1.126) 1.650 2.204 ( 1.079 0.000 -2.380) 2.613 2.273 ( 1.235 0.000 -3.245) 3.472 2.296 ( -2.258 0.000 2.450) 3.332 2.430 ( -0.013 0.000 2.959) 2.959 2.459 ( 0.104 0.000 8.165) 8.166 2.647 ( 2.413 0.000 1.005) 2.614 2.671 ( 1.902 0.000 1.859) 2.659 2.815 ( 7.032 0.000 -3.042) 7.662 2.870 ( 1.906 0.000 -1.396) 2.362 2.970 ( -0.390 0.000 2.007) 2.045 3.005 ( 1.277 0.000 -1.053) 1.655 3.054 ( 2.287 0.000 -3.739) 4.383 3.158 ( 2.474 0.000 0.953) 2.651 3.233 ( 5.640 0.000 -4.056) 6.947 3.364 ( 2.037 0.000 1.740) 2.679 3.467 ( 6.561 0.000 1.721) 6.783 3.497 ( 13.744 0.000 0.065) 13.744 3.672 ( 6.150 0.000 -3.385) 7.020 3.691 ( 10.622 0.000 -0.325) 10.627 3.749 ( 12.958 0.000 0.869) 12.987 3.781 ( 6.916 0.000 1.244) 7.027 3.840 ( 16.664 0.000 -4.012) 17.140 3.899 ( 8.008 0.000 2.211) 8.308 3.903 ( 4.426 0.000 2.748) 5.209 4.008 ( 7.102 0.000 -1.288) 7.218 4.016 ( 6.573 0.000 0.144) 6.575 4.195 ( 2.000 0.000 4.690) 5.099 4.255 ( 0.760 0.000 1.143) 1.373 4.315 ( -1.808 0.000 -2.374) 2.983 4.458 ( 1.762 0.000 -4.329) 4.674 4.783 ( -4.752 0.000 0.835) 4.825 4.848 ( -7.684 0.000 -1.736) 7.877 4.856 ( -10.523 0.000 2.411) 10.796 4.889 ( -10.334 0.000 0.636) 10.354 4.963 ( -3.734 0.000 0.651) 3.791 4.967 ( -9.421 0.000 0.597) 9.439 5.068 ( -7.871 0.000 -1.191) 7.961 5.121 ( -5.397 0.000 0.537) 5.424 5.430 ( 1.368 0.000 -0.931) 1.655 5.526 ( 3.319 0.000 -2.081) 3.918 5.546 ( -0.074 0.000 3.095) 3.096 5.634 ( -0.708 0.000 0.375) 0.801 5.845 ( 2.232 0.000 -1.486) 2.681 5.850 ( 1.749 0.000 1.074) 2.052 5.917 ( 0.172 0.000 0.589) 0.614 5.954 ( 0.446 0.000 0.474) 0.651 6.157 ( 0.648 0.000 1.632) 1.756 6.222 ( -0.766 0.000 -1.844) 1.997 6.369 ( 0.794 0.000 -1.411) 1.619 6.422 ( 0.858 0.000 -0.198) 0.881 8.329 ( 1.477 0.000 0.134) 1.483 8.400 ( 1.060 0.000 0.333) 1.111 8.485 ( 0.025 0.000 -0.521) 0.522 8.557 ( -0.006 0.000 -0.772) 0.772 8.858 ( 1.580 0.000 0.851) 1.795 8.901 ( -0.940 0.000 0.813) 1.242 9.257 ( 1.551 0.000 -3.007) 3.384 9.282 ( 1.945 0.000 -1.208) 2.290 9.601 ( 1.671 0.000 -0.214) 1.684 9.604 ( 1.282 0.000 0.838) 1.531 9.640 ( 2.804 0.000 1.392) 3.130 9.688 ( 3.469 0.000 1.308) 3.707 9.731 ( 0.394 0.000 -0.003) 0.394 9.767 ( -1.525 0.000 -0.374) 1.571 9.779 ( -0.851 0.000 1.967) 2.143 9.819 ( -3.778 0.000 -0.305) 3.790 10.074 ( -0.362 0.000 -1.330) 1.378 10.129 ( 0.592 0.000 1.119) 1.266 10.156 ( -2.537 0.000 -1.360) 2.879 10.196 ( -0.999 0.000 -0.386) 1.071 ======================= Grid point 38 (18/84) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -6.706 0.000 -8.687) 10.974 1.527 ( -5.092 0.000 -3.139) 5.982 1.615 ( -1.198 0.000 -6.827) 6.931 1.642 ( -2.265 0.000 -3.800) 4.424 1.773 ( 1.306 0.000 1.025) 1.660 1.840 ( -3.658 0.000 -2.146) 4.241 1.937 ( -5.290 0.000 -2.088) 5.687 1.980 ( -0.925 0.000 -3.662) 3.777 2.006 ( -0.471 0.000 -2.794) 2.833 2.019 ( -1.955 0.000 0.336) 1.983 2.029 ( -0.900 0.000 -2.611) 2.762 2.085 ( 0.130 0.000 -2.318) 2.322 2.113 ( 3.014 0.000 0.933) 3.155 2.185 ( 1.252 0.000 4.424) 4.597 2.223 ( 4.221 0.000 1.296) 4.416 2.318 ( 1.918 0.000 2.218) 2.932 2.339 ( 4.117 0.000 5.462) 6.840 2.476 ( 1.107 0.000 4.314) 4.454 2.509 ( -2.455 0.000 7.383) 7.781 2.683 ( 0.315 0.000 1.229) 1.269 2.724 ( 0.672 0.000 4.312) 4.364 2.874 ( 0.240 0.000 -3.128) 3.138 2.895 ( 4.367 0.000 0.035) 4.368 2.964 ( -1.677 0.000 2.748) 3.219 2.989 ( -2.431 0.000 -0.728) 2.538 3.080 ( 3.163 0.000 -0.886) 3.285 3.210 ( 1.768 0.000 2.250) 2.861 3.273 ( 2.476 0.000 -3.085) 3.955 3.375 ( -2.631 0.000 0.448) 2.669 3.507 ( -0.088 0.000 -0.098) 0.131 3.621 ( -0.934 0.000 -0.413) 1.022 3.705 ( 2.296 0.000 -1.285) 2.631 3.832 ( -3.756 0.000 -0.006) 3.756 3.845 ( 3.158 0.000 0.609) 3.216 3.869 ( 3.236 0.000 -1.298) 3.487 3.888 ( -3.743 0.000 -0.046) 3.744 4.028 ( -0.533 0.000 4.505) 4.536 4.053 ( 3.658 0.000 -2.380) 4.364 4.091 ( 0.183 0.000 -0.191) 0.265 4.095 ( 2.916 0.000 -5.096) 5.871 4.167 ( -8.497 0.000 -1.279) 8.593 4.246 ( -4.268 0.000 4.019) 5.862 4.330 ( 4.658 0.000 2.242) 5.170 4.442 ( 3.019 0.000 -1.754) 3.492 4.702 ( -0.835 0.000 -0.550) 0.999 4.740 ( -0.115 0.000 -2.450) 2.453 4.779 ( -1.616 0.000 2.691) 3.139 4.808 ( 0.659 0.000 -0.374) 0.757 4.873 ( -0.205 0.000 1.232) 1.249 4.927 ( -4.191 0.000 -1.735) 4.536 4.996 ( 4.457 0.000 0.533) 4.489 5.055 ( -1.328 0.000 -0.386) 1.383 5.442 ( 0.919 0.000 -0.362) 0.987 5.555 ( -1.513 0.000 2.573) 2.985 5.561 ( 2.032 0.000 -1.221) 2.371 5.611 ( -1.494 0.000 -0.347) 1.533 5.899 ( 1.265 0.000 2.925) 3.187 5.928 ( 4.279 0.000 2.215) 4.818 5.932 ( 0.171 0.000 1.696) 1.704 5.991 ( 2.112 0.000 5.383) 5.783 6.142 ( -2.541 0.000 -1.813) 3.121 6.193 ( -0.033 0.000 -1.864) 1.864 6.352 ( -0.035 0.000 -2.803) 2.804 6.423 ( -0.395 0.000 -0.559) 0.685 8.351 ( 0.446 0.000 0.823) 0.937 8.417 ( 0.196 0.000 0.849) 0.871 8.484 ( 0.166 0.000 -0.511) 0.538 8.552 ( 0.180 0.000 -0.715) 0.738 8.877 ( -0.333 0.000 0.268) 0.428 8.882 ( -1.274 0.000 0.244) 1.297 9.245 ( 0.446 0.000 -3.359) 3.389 9.291 ( 0.890 0.000 -2.205) 2.378 9.601 ( -1.653 0.000 -0.309) 1.682 9.619 ( 0.027 0.000 0.646) 0.647 9.681 ( -1.366 0.000 1.259) 1.858 9.711 ( -2.505 0.000 -2.035) 3.227 9.718 ( -0.322 0.000 -1.452) 1.487 9.731 ( -0.235 0.000 1.520) 1.538 9.796 ( -0.159 0.000 1.918) 1.925 9.800 ( 2.093 0.000 0.942) 2.295 10.081 ( 1.756 0.000 0.201) 1.768 10.100 ( -1.629 0.000 -1.662) 2.327 10.167 ( 1.712 0.000 1.430) 2.230 10.196 ( 0.905 0.000 0.540) 1.054 ======================= Grid point 39 (19/84) ======================= q-point: (-0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -12.700 0.000 -10.974) 16.785 1.341 ( -12.410 0.000 -3.685) 12.946 1.485 ( -5.341 0.000 -8.646) 10.162 1.527 ( -5.343 0.000 -6.121) 8.124 1.715 ( -6.960 0.000 -4.266) 8.163 1.715 ( -7.653 0.000 -2.650) 8.098 1.822 ( -7.355 0.000 -0.286) 7.360 1.899 ( -5.630 0.000 -0.205) 5.634 1.923 ( 0.857 0.000 -1.698) 1.902 1.975 ( -2.493 0.000 -1.795) 3.072 2.040 ( 0.806 0.000 -2.768) 2.883 2.046 ( -2.561 0.000 -3.603) 4.421 2.147 ( -1.855 0.000 1.392) 2.319 2.219 ( -0.696 0.000 3.085) 3.163 2.311 ( 1.475 0.000 3.306) 3.620 2.367 ( -0.064 0.000 3.603) 3.603 2.470 ( 4.232 0.000 3.228) 5.323 2.510 ( -3.691 0.000 5.066) 6.268 2.539 ( 2.194 0.000 4.960) 5.424 2.678 ( -1.952 0.000 0.851) 2.129 2.753 ( -2.680 0.000 5.459) 6.082 2.828 ( -1.320 0.000 -2.179) 2.548 2.903 ( -5.992 0.000 0.879) 6.056 2.962 ( 1.224 0.000 0.841) 1.485 2.974 ( -1.596 0.000 4.332) 4.617 3.147 ( 3.373 0.000 2.406) 4.143 3.233 ( -3.002 0.000 2.174) 3.707 3.254 ( -1.542 0.000 -3.690) 3.999 3.273 ( -6.538 0.000 -2.757) 7.096 3.503 ( -1.340 0.000 1.929) 2.349 3.509 ( -9.423 0.000 -1.116) 9.489 3.637 ( -15.692 0.000 -3.648) 16.111 3.708 ( -1.890 0.000 -0.895) 2.091 3.740 ( -12.322 0.000 -0.342) 12.326 3.790 ( -8.335 0.000 3.524) 9.050 3.868 ( -8.280 0.000 1.602) 8.433 3.902 ( -9.452 0.000 -1.993) 9.659 3.927 ( -5.619 0.000 -5.591) 7.927 3.968 ( -11.616 0.000 -2.422) 11.866 3.986 ( -15.313 0.000 0.737) 15.330 4.140 ( 6.272 0.000 0.622) 6.303 4.181 ( -5.213 0.000 7.137) 8.838 4.400 ( -1.966 0.000 0.809) 2.126 4.512 ( 1.524 0.000 -1.103) 1.881 4.776 ( 4.434 0.000 0.550) 4.468 4.816 ( 9.176 0.000 -1.239) 9.259 4.817 ( 9.274 0.000 -2.105) 9.510 4.877 ( 8.613 0.000 -0.696) 8.641 4.955 ( 6.098 0.000 0.462) 6.115 4.988 ( 9.982 0.000 1.669) 10.121 5.074 ( 4.744 0.000 -0.894) 4.828 5.083 ( 4.715 0.000 -1.335) 4.901 5.471 ( 1.675 0.000 1.260) 2.096 5.549 ( -1.219 0.000 -2.070) 2.402 5.556 ( -1.319 0.000 4.126) 4.331 5.607 ( -0.038 0.000 2.094) 2.095 5.924 ( -0.811 0.000 0.756) 1.109 5.949 ( 0.301 0.000 1.200) 1.237 5.955 ( -0.792 0.000 -2.553) 2.673 6.039 ( -1.425 0.000 -3.781) 4.041 6.150 ( 1.562 0.000 5.053) 5.289 6.197 ( 2.821 0.000 4.657) 5.445 6.333 ( -0.132 0.000 -0.922) 0.932 6.399 ( -1.332 0.000 -1.216) 1.803 8.356 ( -0.881 0.000 0.980) 1.318 8.422 ( -0.648 0.000 1.147) 1.317 8.477 ( -0.071 0.000 -1.609) 1.610 8.547 ( 0.042 0.000 -1.189) 1.190 8.839 ( -3.136 0.000 0.540) 3.182 8.881 ( -0.079 0.000 0.099) 0.126 9.216 ( -0.372 0.000 -3.201) 3.223 9.275 ( 0.050 0.000 -2.993) 2.994 9.552 ( -3.406 0.000 -0.160) 3.410 9.591 ( -3.913 0.000 -0.500) 3.945 9.638 ( -3.696 0.000 -0.986) 3.826 9.641 ( -1.874 0.000 1.169) 2.209 9.727 ( -1.118 0.000 0.075) 1.120 9.733 ( 0.389 0.000 1.120) 1.186 9.798 ( -0.720 0.000 -0.012) 0.720 9.851 ( 2.300 0.000 0.660) 2.393 10.066 ( -0.548 0.000 -1.347) 1.455 10.138 ( 4.016 0.000 1.257) 4.208 10.221 ( 3.147 0.000 1.272) 3.395 10.233 ( 2.410 0.000 0.901) 2.573 ======================= Grid point 40 (20/84) ======================= q-point: (-0.30 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -16.224 0.000 -8.233) 18.194 1.049 ( -18.046 0.000 -2.025) 18.160 1.297 ( -7.032 0.000 -8.424) 10.973 1.375 ( -5.688 0.000 -4.604) 7.318 1.522 ( -10.800 0.000 -1.661) 10.927 1.529 ( -10.219 0.000 -3.775) 10.894 1.719 ( -3.029 0.000 -2.451) 3.896 1.809 ( -5.255 0.000 0.730) 5.305 1.838 ( -14.429 0.000 -6.877) 15.984 1.934 ( -4.684 0.000 1.892) 5.051 1.935 ( -0.663 0.000 0.779) 1.022 2.024 ( 0.695 0.000 -2.880) 2.962 2.076 ( -5.466 0.000 0.572) 5.496 2.223 ( -2.030 0.000 1.962) 2.824 2.282 ( -5.838 0.000 -0.833) 5.897 2.371 ( -2.398 0.000 1.691) 2.934 2.484 ( -3.904 0.000 4.258) 5.776 2.498 ( -2.256 0.000 0.702) 2.363 2.632 ( 1.479 0.000 2.856) 3.217 2.633 ( -3.293 0.000 0.380) 3.315 2.729 ( -6.889 0.000 8.936) 11.283 2.809 ( -6.206 0.000 2.660) 6.752 2.826 ( 0.909 0.000 2.169) 2.352 2.959 ( -3.015 0.000 0.445) 3.048 2.961 ( -4.925 0.000 3.421) 5.996 3.067 ( -11.237 0.000 -0.927) 11.275 3.156 ( -5.583 0.000 -1.130) 5.696 3.186 ( -8.655 0.000 1.255) 8.745 3.212 ( -0.052 0.000 2.642) 2.643 3.324 ( -9.411 0.000 -2.287) 9.685 3.340 ( -8.859 0.000 -6.075) 10.741 3.467 ( -16.389 0.000 -1.316) 16.441 3.478 ( -4.742 0.000 1.762) 5.058 3.578 ( -14.051 0.000 0.271) 14.054 3.621 ( -13.988 0.000 -2.916) 14.288 3.660 ( -10.386 0.000 -1.237) 10.460 3.723 ( -5.344 0.000 -1.673) 5.600 3.772 ( -4.458 0.000 -1.958) 4.870 3.793 ( -9.195 0.000 5.339) 10.633 3.870 ( -0.840 0.000 -3.927) 4.016 4.197 ( -1.435 0.000 7.144) 7.286 4.231 ( 2.610 0.000 -0.008) 2.610 4.350 ( -1.811 0.000 1.048) 2.093 4.448 ( -5.070 0.000 -2.662) 5.726 4.790 ( -0.074 0.000 -1.233) 1.235 4.982 ( 10.832 0.000 -1.821) 10.984 4.995 ( 5.915 0.000 -0.058) 5.916 5.043 ( 8.813 0.000 0.641) 8.836 5.100 ( 10.942 0.000 1.495) 11.044 5.152 ( 5.034 0.000 -1.119) 5.157 5.174 ( 7.224 0.000 0.018) 7.224 5.195 ( 10.197 0.000 1.554) 10.315 5.494 ( -0.585 0.000 1.065) 1.215 5.517 ( -0.496 0.000 -0.906) 1.033 5.588 ( -0.358 0.000 5.025) 5.038 5.624 ( -0.626 0.000 2.803) 2.872 5.868 ( -2.354 0.000 -6.788) 7.185 5.886 ( -1.929 0.000 -3.333) 3.851 5.959 ( 0.331 0.000 -0.120) 0.352 5.997 ( 0.418 0.000 -4.570) 4.589 6.170 ( -0.491 0.000 2.670) 2.714 6.312 ( -2.792 0.000 0.234) 2.802 6.361 ( 4.879 0.000 9.674) 10.835 6.373 ( -0.562 0.000 0.079) 0.568 8.336 ( -2.181 0.000 0.618) 2.267 8.418 ( -0.935 0.000 1.231) 1.546 8.445 ( -1.138 0.000 -3.638) 3.812 8.528 ( -0.344 0.000 -2.505) 2.529 8.787 ( -3.654 0.000 1.343) 3.893 8.885 ( 0.223 0.000 0.620) 0.659 9.179 ( -0.760 0.000 -2.618) 2.726 9.242 ( -0.567 0.000 -3.264) 3.313 9.491 ( -3.891 0.000 1.129) 4.051 9.511 ( -3.872 0.000 -1.053) 4.012 9.574 ( -3.347 0.000 0.451) 3.377 9.623 ( -2.477 0.000 2.857) 3.781 9.692 ( -2.403 0.000 -1.361) 2.762 9.741 ( -0.538 0.000 0.952) 1.094 9.770 ( -1.625 0.000 -1.608) 2.286 9.887 ( 1.347 0.000 0.475) 1.428 10.059 ( 0.627 0.000 -0.521) 0.815 10.238 ( 5.794 0.000 1.575) 6.004 10.287 ( 2.968 0.000 0.249) 2.979 10.298 ( 4.533 0.000 0.971) 4.636 ======================= Grid point 41 (21/84) ======================= q-point: (-0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -16.184 0.000 5.891) 17.223 0.700 ( -20.722 0.000 0.645) 20.732 1.102 ( -8.364 0.000 -6.212) 10.418 1.274 ( -3.585 0.000 0.780) 3.668 1.303 ( -14.384 0.000 -1.767) 14.492 1.355 ( -28.381 0.000 -4.190) 28.688 1.357 ( -5.555 0.000 -1.440) 5.739 1.666 ( -1.551 0.000 -1.110) 1.908 1.801 ( -0.747 0.000 5.327) 5.379 1.878 ( -6.030 0.000 -0.800) 6.083 1.908 ( -0.474 0.000 2.428) 2.474 1.999 ( -2.853 0.000 -1.611) 3.277 2.014 ( -1.325 0.000 -1.482) 1.988 2.127 ( -8.859 0.000 -1.419) 8.971 2.184 ( -3.811 0.000 2.133) 4.368 2.344 ( -1.547 0.000 0.429) 1.606 2.416 ( -4.655 0.000 -2.477) 5.273 2.452 ( -3.177 0.000 1.768) 3.635 2.582 ( -6.139 0.000 -0.869) 6.200 2.595 ( -1.806 0.000 0.494) 1.872 2.695 ( -9.496 0.000 9.655) 13.542 2.703 ( -8.750 0.000 -0.310) 8.755 2.826 ( -11.356 0.000 4.938) 12.383 2.846 ( -0.739 0.000 0.801) 1.089 2.869 ( -6.721 0.000 2.627) 7.216 2.901 ( -8.244 0.000 -4.424) 9.356 2.997 ( -7.104 0.000 -1.818) 7.333 3.100 ( -4.682 0.000 4.564) 6.538 3.140 ( -9.660 0.000 -2.199) 9.907 3.188 ( -10.817 0.000 -3.890) 11.495 3.197 ( -6.570 0.000 4.367) 7.889 3.245 ( -1.893 0.000 -3.496) 3.975 3.287 ( -7.658 0.000 -7.066) 10.420 3.414 ( -4.259 0.000 1.888) 4.658 3.487 ( -3.615 0.000 2.863) 4.611 3.489 ( -6.271 0.000 -0.855) 6.329 3.643 ( -1.595 0.000 -2.409) 2.889 3.724 ( -4.221 0.000 2.731) 5.027 3.727 ( -0.750 0.000 -2.296) 2.415 3.811 ( -2.204 0.000 -3.093) 3.797 4.219 ( -1.902 0.000 0.939) 2.121 4.233 ( -0.915 0.000 -1.308) 1.596 4.353 ( -2.703 0.000 0.636) 2.777 4.361 ( 0.816 0.000 0.765) 1.118 4.792 ( 1.072 0.000 1.519) 1.859 5.067 ( 2.325 0.000 1.902) 3.004 5.141 ( 7.458 0.000 -0.197) 7.460 5.164 ( 5.601 0.000 0.433) 5.617 5.210 ( 3.044 0.000 -0.923) 3.180 5.232 ( 3.325 0.000 0.220) 3.332 5.338 ( 9.604 0.000 0.337) 9.610 5.363 ( 7.003 0.000 0.853) 7.055 5.476 ( -0.716 0.000 -1.509) 1.670 5.521 ( 0.398 0.000 1.585) 1.634 5.616 ( -1.654 0.000 5.300) 5.552 5.638 ( -0.079 0.000 1.966) 1.967 5.800 ( 1.646 0.000 -5.958) 6.182 5.811 ( -1.806 0.000 -5.453) 5.745 5.960 ( 0.398 0.000 -0.953) 1.033 5.969 ( 0.992 0.000 -4.129) 4.247 6.180 ( -1.198 0.000 1.505) 1.924 6.247 ( -3.823 0.000 -0.854) 3.917 6.360 ( -2.515 0.000 1.472) 2.914 6.515 ( 3.727 0.000 7.944) 8.774 8.296 ( -2.732 0.000 0.226) 2.741 8.371 ( -2.779 0.000 -4.488) 5.279 8.416 ( -0.367 0.000 0.933) 1.002 8.482 ( -1.390 0.000 -5.353) 5.530 8.742 ( -3.210 0.000 1.906) 3.733 8.903 ( 1.129 0.000 0.667) 1.311 9.147 ( -0.491 0.000 -1.859) 1.923 9.200 ( -0.963 0.000 -3.008) 3.158 9.448 ( -2.452 0.000 -0.585) 2.521 9.450 ( -2.929 0.000 3.378) 4.471 9.532 ( -2.824 0.000 1.883) 3.394 9.611 ( -2.158 0.000 3.717) 4.298 9.621 ( -3.643 0.000 -2.268) 4.291 9.716 ( -2.263 0.000 -2.350) 3.263 9.736 ( -0.939 0.000 0.693) 1.167 9.910 ( 0.587 0.000 1.493) 1.605 10.075 ( 1.083 0.000 0.385) 1.149 10.324 ( 2.072 0.000 -0.275) 2.090 10.364 ( 7.056 0.000 -0.783) 7.099 10.392 ( 5.534 0.000 0.378) 5.546 ======================= Grid point 42 (22/84) ======================= q-point: (-0.10 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( -16.592 0.000 10.824) 19.811 0.474 ( -8.781 0.000 28.944) 30.246 0.682 ( -33.980 0.000 3.141) 34.125 0.996 ( -7.892 0.000 0.782) 7.931 1.149 ( -6.333 0.000 4.468) 7.751 1.257 ( -1.761 0.000 4.633) 4.956 1.343 ( 4.638 0.000 0.591) 4.676 1.633 ( -1.813 0.000 -0.673) 1.934 1.719 ( -11.295 0.000 -0.946) 11.335 1.812 ( -2.683 0.000 2.177) 3.455 1.888 ( -6.274 0.000 0.258) 6.279 1.945 ( -0.733 0.000 -2.156) 2.278 2.004 ( 5.488 0.000 5.822) 8.001 2.076 ( 0.554 0.000 0.015) 0.554 2.161 ( -1.396 0.000 2.901) 3.220 2.241 ( -6.734 0.000 -1.188) 6.838 2.401 ( 1.647 0.000 -4.231) 4.541 2.403 ( -0.660 0.000 -4.485) 4.534 2.470 ( -2.762 0.000 -4.223) 5.046 2.480 ( -8.198 0.000 -4.219) 9.220 2.572 ( -10.053 0.000 5.629) 11.522 2.618 ( -1.436 0.000 2.158) 2.592 2.709 ( -6.998 0.000 -2.554) 7.450 2.743 ( -3.815 0.000 3.113) 4.924 2.773 ( -5.450 0.000 -0.370) 5.463 2.826 ( -2.127 0.000 -2.515) 3.294 2.909 ( -3.088 0.000 0.193) 3.094 2.990 ( -5.538 0.000 1.716) 5.798 3.001 ( -3.550 0.000 0.135) 3.553 3.038 ( -5.918 0.000 -5.939) 8.384 3.092 ( -4.892 0.000 1.379) 5.083 3.121 ( -5.439 0.000 -2.250) 5.886 3.303 ( 3.203 0.000 2.844) 4.283 3.388 ( 0.153 0.000 0.357) 0.388 3.455 ( -1.502 0.000 -1.230) 1.941 3.495 ( 2.790 0.000 3.489) 4.467 3.627 ( 0.496 0.000 0.975) 1.094 3.664 ( -3.083 0.000 -3.491) 4.658 3.677 ( -2.231 0.000 -0.910) 2.409 3.768 ( -0.327 0.000 -0.873) 0.932 4.154 ( -0.697 0.000 -6.622) 6.659 4.176 ( -1.344 0.000 -6.074) 6.221 4.372 ( -0.433 0.000 6.171) 6.187 4.391 ( 0.063 0.000 5.068) 5.069 4.851 ( 2.654 0.000 2.093) 3.380 5.100 ( -0.743 0.000 1.845) 1.989 5.195 ( 1.189 0.000 0.025) 1.189 5.233 ( 0.511 0.000 -0.614) 0.799 5.272 ( 1.621 0.000 0.815) 1.815 5.302 ( 7.543 0.000 0.403) 7.554 5.425 ( 0.031 0.000 -2.100) 2.100 5.438 ( 1.716 0.000 -0.486) 1.784 5.482 ( 4.606 0.000 -2.987) 5.490 5.549 ( -0.422 0.000 3.712) 3.735 5.651 ( 0.165 0.000 -1.220) 1.231 5.653 ( 1.176 0.000 7.081) 7.178 5.744 ( -0.195 0.000 -2.953) 2.960 5.803 ( 2.906 0.000 -6.400) 7.029 5.955 ( -0.106 0.000 -0.915) 0.921 5.961 ( 0.591 0.000 -0.168) 0.614 6.125 ( -5.300 0.000 -2.809) 5.998 6.183 ( -1.684 0.000 -1.797) 2.463 6.304 ( -4.926 0.000 0.783) 4.988 6.621 ( 2.186 0.000 0.856) 2.348 8.255 ( -1.925 0.000 0.089) 1.927 8.299 ( -0.998 0.000 -1.544) 1.839 8.360 ( -6.306 0.000 -7.280) 9.632 8.419 ( 0.060 0.000 -0.212) 0.221 8.708 ( -2.601 0.000 1.315) 2.914 8.914 ( -0.858 0.000 -1.744) 1.944 9.132 ( 0.423 0.000 -1.022) 1.106 9.161 ( -0.585 0.000 -2.325) 2.397 9.419 ( -0.629 0.000 0.265) 0.683 9.430 ( -3.998 0.000 0.881) 4.094 9.505 ( -1.079 0.000 2.050) 2.316 9.567 ( -1.023 0.000 1.646) 1.938 9.608 ( -2.489 0.000 2.135) 3.280 9.667 ( -0.558 0.000 -0.260) 0.616 9.728 ( -0.888 0.000 1.164) 1.464 9.980 ( 5.630 0.000 9.101) 10.702 10.096 ( 0.599 0.000 0.918) 1.096 10.338 ( 1.059 0.000 -2.353) 2.581 10.463 ( 6.128 0.000 -3.080) 6.858 10.484 ( 4.591 0.000 -0.789) 4.658 ======================= Grid point 43 (23/84) ======================= q-point: ( 0.00 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( 9.284 14.585 9.897) 19.922 0.623 ( -4.333 14.200 15.156) 21.216 0.797 ( 6.578 -14.019 5.443) 16.414 0.921 ( -2.617 -13.783 11.224) 17.966 1.028 ( 3.005 18.875 23.042) 29.937 1.398 ( 2.720 -11.581 4.647) 12.771 1.422 ( 1.938 4.205 2.716) 5.368 1.500 ( -2.979 0.315 -0.937) 3.138 1.620 ( 0.470 0.837 3.729) 3.850 1.734 ( -0.039 -8.379 6.233) 10.443 1.837 ( -5.005 5.442 1.758) 7.599 1.913 ( -4.942 -1.666 2.128) 5.633 2.069 ( 2.089 4.325 0.687) 4.852 2.119 ( -0.861 -0.869 -0.458) 1.306 2.162 ( -0.023 0.286 -4.522) 4.531 2.169 ( -0.520 -0.106 -2.817) 2.866 2.303 ( -2.284 0.987 -6.418) 6.884 2.340 ( -1.725 -1.854 -5.962) 6.478 2.400 ( 0.803 2.373 -9.436) 9.763 2.435 ( 0.035 0.524 -7.897) 7.914 2.546 ( -1.921 3.360 -0.812) 3.955 2.592 ( -1.744 0.494 -1.752) 2.521 2.619 ( -1.356 -3.049 1.844) 3.813 2.629 ( -0.646 -4.394 -3.517) 5.665 2.770 ( -0.128 3.859 -0.953) 3.977 2.820 ( 2.201 1.363 0.317) 2.608 2.885 ( 0.035 -0.614 -0.771) 0.986 2.920 ( -1.082 -2.326 0.909) 2.722 2.973 ( -3.406 -0.046 -1.037) 3.561 2.984 ( -1.262 -0.547 -0.418) 1.438 3.030 ( 3.722 1.268 -0.270) 3.942 3.093 ( 5.625 -3.426 -2.549) 7.062 3.400 ( 0.434 5.908 0.287) 5.930 3.443 ( -1.950 2.569 -2.280) 3.950 3.464 ( 0.013 1.444 1.567) 2.130 3.492 ( -3.586 -0.506 -2.476) 4.387 3.551 ( 1.372 -1.580 -1.742) 2.723 3.616 ( 0.208 -4.368 2.146) 4.872 3.729 ( 1.482 2.664 0.093) 3.050 3.762 ( 0.772 -0.914 0.387) 1.258 4.130 ( 0.907 0.944 -4.402) 4.592 4.138 ( 1.314 0.181 -3.423) 3.670 4.436 ( -0.331 1.097 4.013) 4.174 4.444 ( -0.043 0.088 4.734) 4.735 4.893 ( -2.703 3.470 0.780) 4.467 4.992 ( -2.029 -6.232 0.889) 6.614 5.208 ( -0.094 1.300 -1.026) 1.659 5.234 ( 0.021 -0.957 -0.611) 1.135 5.308 ( -0.825 1.760 0.887) 2.137 5.346 ( 0.515 -1.906 0.411) 2.016 5.423 ( 0.301 1.803 0.020) 1.828 5.451 ( -0.131 -0.655 -0.391) 0.774 5.539 ( 0.291 2.275 -1.110) 2.548 5.579 ( -1.419 0.930 0.964) 1.951 5.591 ( -1.268 -0.250 0.664) 1.453 5.646 ( -2.779 -2.541 0.998) 3.895 5.798 ( 2.846 1.980 0.716) 3.540 5.836 ( 7.284 -1.863 0.012) 7.519 5.982 ( 2.202 0.507 2.286) 3.214 5.999 ( 3.757 -1.134 2.475) 4.640 6.068 ( 0.283 3.241 -3.626) 4.872 6.136 ( 1.402 -3.266 -3.260) 4.823 6.300 ( -4.318 4.732 -4.612) 7.894 6.374 ( -11.138 -2.742 -6.121) 13.001 8.281 ( -1.404 2.603 -0.906) 3.093 8.319 ( 1.817 -1.460 0.990) 2.532 8.427 ( 4.674 1.748 -1.267) 5.149 8.451 ( 14.615 -0.316 -2.458) 14.824 8.694 ( -2.440 1.685 1.609) 3.373 8.753 ( -5.344 -4.119 2.978) 7.375 9.158 ( 1.729 0.939 -1.984) 2.794 9.166 ( 1.874 0.514 -1.864) 2.692 9.401 ( -1.263 1.940 0.284) 2.332 9.439 ( -0.394 -1.057 -0.127) 1.135 9.483 ( -2.117 1.986 0.452) 2.937 9.532 ( -1.835 -2.228 0.203) 2.893 9.634 ( 0.593 2.688 3.849) 4.732 9.688 ( 1.176 -1.947 2.341) 3.264 9.738 ( -0.030 1.726 4.496) 4.816 9.830 ( 0.030 -9.239 10.016) 13.626 10.336 ( 0.346 2.466 -5.564) 6.096 10.365 ( -0.474 1.407 -7.797) 7.938 10.511 ( -0.879 2.244 -4.180) 4.825 10.548 ( -0.413 -0.515 -5.591) 5.629 ======================= Grid point 44 (24/84) ======================= q-point: ( 0.10 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 7.897 7.779 14.669) 18.387 0.834 ( 14.602 8.704 13.726) 21.849 1.026 ( 5.046 -12.986 9.079) 16.630 1.046 ( 12.083 -10.851 10.099) 19.124 1.378 ( 13.187 11.035 14.518) 22.504 1.449 ( 4.802 2.846 1.564) 5.798 1.517 ( 4.842 3.891 5.084) 8.027 1.572 ( 6.099 -1.099 2.598) 6.720 1.698 ( 4.133 0.340 -1.081) 4.286 1.782 ( -1.298 0.036 3.779) 3.995 1.841 ( 3.267 -4.826 6.448) 8.692 1.881 ( 1.128 -3.841 6.041) 7.247 2.089 ( -0.144 0.868 -1.507) 1.745 2.099 ( 1.421 0.879 0.052) 1.672 2.152 ( 2.774 1.869 -2.270) 4.042 2.203 ( 4.332 -3.048 -4.279) 6.809 2.262 ( 2.166 0.575 -4.994) 5.473 2.293 ( 3.911 -0.471 -1.868) 4.360 2.332 ( 1.996 1.322 -6.569) 6.991 2.390 ( 1.347 -2.503 -3.711) 4.674 2.541 ( 3.166 5.440 -0.904) 6.359 2.594 ( 3.502 3.108 -0.739) 4.740 2.649 ( 5.138 -2.791 -2.543) 6.377 2.658 ( 4.240 -4.134 1.137) 6.030 2.787 ( 2.545 1.829 -1.875) 3.652 2.858 ( -0.864 -4.780 -2.448) 5.439 2.879 ( 3.481 4.806 -3.279) 6.780 2.954 ( 5.156 -0.907 1.390) 5.416 2.976 ( 5.967 0.890 -0.437) 6.049 3.002 ( 3.109 -1.623 -1.076) 3.668 3.136 ( 7.632 -2.200 0.704) 7.974 3.159 ( 6.792 -4.016 -3.895) 8.799 3.363 ( 0.903 3.895 -3.062) 5.036 3.401 ( -0.316 0.395 -2.414) 2.467 3.448 ( 0.814 1.867 -3.727) 4.248 3.479 ( -0.211 -0.183 -4.734) 4.742 3.535 ( 0.135 4.985 1.104) 5.108 3.644 ( 1.172 -4.503 3.779) 5.995 3.763 ( 1.564 1.635 1.140) 2.533 3.785 ( 0.858 -0.626 1.237) 1.630 4.133 ( 1.528 1.007 0.077) 1.832 4.151 ( 1.177 -0.670 1.104) 1.747 4.446 ( -1.434 1.272 2.689) 3.303 4.470 ( -1.326 -0.857 2.211) 2.717 4.842 ( -2.582 4.705 0.508) 5.391 4.970 ( -1.061 -7.461 1.003) 7.602 5.200 ( -0.267 1.759 -0.533) 1.857 5.229 ( -0.451 -0.873 -0.801) 1.268 5.269 ( -3.188 0.746 0.477) 3.309 5.291 ( -5.223 -1.017 -0.233) 5.326 5.432 ( -2.427 0.498 0.212) 2.486 5.442 ( -2.985 -0.268 -0.023) 2.997 5.492 ( -3.652 1.924 -0.395) 4.147 5.530 ( -2.938 -1.608 0.719) 3.426 5.581 ( -0.566 1.859 -0.145) 1.949 5.600 ( -1.134 0.361 -1.459) 1.883 5.855 ( 2.305 1.697 -0.687) 2.943 5.902 ( 1.387 -2.836 -0.856) 3.271 6.020 ( -1.129 1.622 -1.184) 2.304 6.023 ( -0.603 0.534 -0.113) 0.813 6.107 ( 4.314 -1.677 -3.832) 6.009 6.124 ( 0.923 -2.744 -2.608) 3.897 6.255 ( 2.511 1.697 -1.399) 3.338 6.265 ( 2.795 0.732 -1.667) 3.336 8.273 ( 0.832 2.393 -0.519) 2.586 8.330 ( 0.240 -3.079 -0.722) 3.171 8.529 ( 5.347 3.063 -0.816) 6.216 8.560 ( 1.850 0.071 -3.805) 4.232 8.700 ( 0.347 0.559 1.617) 1.746 8.756 ( 2.466 -4.722 4.179) 6.770 9.174 ( 2.062 1.635 -1.706) 3.136 9.190 ( 2.498 -0.004 -1.455) 2.891 9.418 ( 1.877 0.961 1.252) 2.452 9.444 ( 1.751 -1.402 0.955) 2.438 9.489 ( 1.319 1.345 0.421) 1.931 9.515 ( -0.301 -1.059 0.473) 1.198 9.689 ( 1.453 1.734 3.137) 3.868 9.721 ( 0.729 -1.197 1.748) 2.240 9.787 ( 0.459 3.006 3.939) 4.976 9.889 ( -1.355 -7.448 5.345) 9.267 10.248 ( -4.137 5.208 -4.535) 8.051 10.279 ( -1.518 0.791 -5.985) 6.225 10.400 ( -5.694 -0.095 -2.320) 6.149 10.425 ( -6.199 -1.418 -2.659) 6.893 ======================= Grid point 45 (25/84) ======================= q-point: ( 0.20 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 11.442 3.435 11.285) 16.434 1.166 ( 10.752 1.537 10.871) 15.367 1.252 ( 10.020 -4.931 9.348) 14.564 1.319 ( 8.652 -6.499 8.722) 13.898 1.570 ( 7.078 3.667 1.705) 8.152 1.618 ( 8.148 0.461 2.192) 8.450 1.672 ( 7.062 4.531 1.049) 8.456 1.758 ( 9.127 0.619 -0.927) 9.195 1.811 ( 1.808 0.249 3.157) 3.647 1.821 ( 10.758 3.538 6.468) 13.042 1.927 ( 2.291 -1.164 4.289) 5.000 2.007 ( 3.111 -6.103 2.602) 7.328 2.093 ( 2.342 2.261 -1.453) 3.565 2.165 ( 3.822 -2.530 -0.863) 4.664 2.182 ( 2.879 2.697 -2.721) 4.792 2.222 ( 3.635 -3.080 -3.458) 5.887 2.299 ( 4.220 1.618 -1.273) 4.696 2.355 ( 2.526 -1.099 1.451) 3.113 2.377 ( 6.044 -1.027 -2.206) 6.516 2.423 ( 4.016 -2.885 0.198) 4.949 2.612 ( 5.133 6.364 -1.827) 8.377 2.665 ( 4.660 5.309 -2.429) 7.470 2.752 ( 7.342 -1.135 0.539) 7.448 2.795 ( 7.979 -4.916 1.352) 9.469 2.826 ( 6.035 -0.333 -1.250) 6.172 2.871 ( 6.824 -3.260 -2.807) 8.067 2.927 ( 7.838 4.179 -3.908) 9.704 3.028 ( 5.236 -4.539 -2.763) 7.460 3.132 ( 13.727 1.717 -2.301) 14.024 3.142 ( 9.845 0.685 3.281) 10.400 3.228 ( 2.872 0.416 -3.816) 4.794 3.286 ( 6.650 -4.263 1.157) 7.983 3.366 ( 4.957 2.127 -5.795) 7.918 3.416 ( 4.779 -1.494 -8.251) 9.651 3.448 ( 7.062 2.220 -0.866) 7.453 3.482 ( 5.861 -1.583 -1.421) 6.235 3.606 ( 5.295 6.213 4.020) 9.100 3.710 ( 2.793 -4.100 3.068) 5.833 3.799 ( 1.053 1.682 1.915) 2.758 3.828 ( 2.219 -1.085 3.137) 3.993 4.161 ( 0.443 0.972 1.287) 1.672 4.183 ( 1.316 -1.064 0.730) 1.843 4.433 ( -3.373 0.426 0.031) 3.400 4.438 ( -0.626 0.012 -0.378) 0.731 4.839 ( 0.990 5.711 1.126) 5.904 4.976 ( 0.150 -7.130 1.681) 7.327 5.163 ( -4.557 1.261 -0.212) 4.733 5.173 ( -5.282 0.066 -0.071) 5.283 5.218 ( -3.131 0.059 0.541) 3.178 5.226 ( -3.525 -0.375 0.889) 3.654 5.309 ( -9.137 -0.131 -0.650) 9.161 5.323 ( -9.388 -1.045 -0.015) 9.446 5.452 ( -1.589 1.915 -0.482) 2.535 5.493 ( -1.822 -2.260 -1.439) 3.240 5.574 ( 0.031 1.791 -0.448) 1.846 5.591 ( 0.414 0.297 0.903) 1.037 5.862 ( 0.811 1.464 -3.194) 3.607 5.896 ( 0.420 -1.805 -3.383) 3.857 5.970 ( -0.796 1.386 -4.158) 4.455 5.995 ( -0.711 -0.902 -3.720) 3.893 6.106 ( 1.256 2.166 -0.485) 2.550 6.166 ( 1.449 -3.495 1.885) 4.227 6.309 ( 3.225 1.789 0.691) 3.753 6.334 ( 4.019 -0.747 0.190) 4.092 8.290 ( 1.740 1.759 -0.849) 2.615 8.334 ( 1.149 -2.293 -0.903) 2.719 8.539 ( -0.234 1.495 -2.166) 2.642 8.564 ( 0.479 -0.679 -1.183) 1.445 8.756 ( 2.998 2.798 2.828) 4.982 8.830 ( 2.165 -3.955 2.349) 5.084 9.204 ( 2.792 1.352 -1.087) 3.287 9.222 ( 2.777 -0.476 -1.535) 3.208 9.478 ( 3.372 1.098 1.736) 3.949 9.504 ( 3.385 -1.278 1.069) 3.773 9.523 ( 2.491 0.458 0.302) 2.551 9.535 ( 1.721 -0.639 1.021) 2.101 9.728 ( 0.528 1.092 1.716) 2.101 9.746 ( 0.213 -0.228 1.935) 1.960 9.814 ( -0.343 2.344 1.815) 2.984 9.889 ( -2.345 -4.749 2.409) 5.818 10.163 ( -2.720 3.443 -1.176) 4.543 10.194 ( -2.394 0.021 -4.475) 5.075 10.297 ( -3.891 -0.205 -2.135) 4.443 10.311 ( -4.775 -1.273 -1.887) 5.290 ======================= Grid point 46 (26/84) ======================= q-point: ( 0.30 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 9.972 1.226 5.598) 11.502 1.421 ( 9.082 -1.918 5.923) 11.011 1.484 ( 8.538 -0.841 5.487) 10.184 1.519 ( 9.040 -2.813 5.064) 10.737 1.688 ( 5.222 4.287 0.103) 6.757 1.738 ( 4.195 -0.228 2.543) 4.911 1.815 ( 4.937 4.429 5.579) 8.668 1.895 ( 4.864 -0.764 1.902) 5.278 1.915 ( 7.521 0.542 1.324) 7.656 1.966 ( 4.128 -0.651 -1.498) 4.440 1.997 ( 2.507 -1.462 2.388) 3.759 2.043 ( 1.471 -4.420 -2.931) 5.504 2.122 ( 2.415 1.604 -2.637) 3.919 2.179 ( 0.993 -2.368 -2.296) 3.445 2.200 ( 1.409 3.579 -1.513) 4.133 2.250 ( 3.007 -1.033 -3.353) 4.620 2.350 ( 1.033 1.750 -1.277) 2.401 2.404 ( -0.703 -1.461 4.188) 4.490 2.423 ( 1.489 1.584 -0.024) 2.174 2.505 ( 3.559 -5.186 0.890) 6.352 2.666 ( 2.975 3.992 -1.035) 5.085 2.729 ( 5.119 1.211 -1.939) 5.607 2.846 ( 3.889 -0.896 0.556) 4.029 2.904 ( 5.276 1.099 1.456) 5.582 2.941 ( 6.609 -0.786 -4.801) 8.206 3.026 ( 7.626 -3.340 -1.582) 8.474 3.108 ( 8.805 2.605 0.599) 9.202 3.161 ( 14.414 -3.341 -1.083) 14.836 3.206 ( 4.628 4.504 -4.367) 7.796 3.270 ( 5.976 -1.463 -2.256) 6.553 3.395 ( 7.347 5.295 2.831) 9.488 3.449 ( 15.568 -0.423 -1.861) 15.684 3.453 ( 14.788 -0.520 -1.541) 14.877 3.521 ( 6.843 -6.369 1.549) 9.476 3.600 ( 11.703 0.956 -3.166) 12.161 3.623 ( 12.430 -0.898 -3.900) 13.059 3.774 ( 8.127 2.883 5.130) 10.034 3.809 ( 3.483 0.509 4.878) 6.015 3.869 ( 7.404 0.545 1.642) 7.604 3.904 ( 4.223 -1.853 1.578) 4.874 4.165 ( -0.953 1.260 0.867) 1.802 4.206 ( 1.352 -2.307 -0.877) 2.814 4.380 ( -1.751 2.320 -0.998) 3.073 4.426 ( 1.158 -1.996 -3.070) 3.841 4.864 ( -0.452 5.414 1.355) 5.600 4.967 ( -4.444 -4.031 0.529) 6.023 5.051 ( -8.855 0.542 0.440) 8.882 5.059 ( -8.903 -0.229 0.591) 8.925 5.096 ( -9.179 2.197 0.398) 9.446 5.139 ( -8.652 0.789 0.662) 8.714 5.159 ( -6.990 -2.484 0.424) 7.431 5.186 ( -6.468 -2.111 1.406) 6.947 5.430 ( 0.172 0.871 -1.135) 1.441 5.458 ( 0.036 -2.009 -1.484) 2.498 5.575 ( 0.367 2.810 -0.033) 2.834 5.614 ( 0.473 -1.014 1.420) 1.808 5.841 ( 0.741 0.831 -3.208) 3.396 5.861 ( 0.298 -1.043 -4.955) 5.072 5.933 ( -0.041 1.086 -2.081) 2.348 5.954 ( -0.065 -0.846 -2.545) 2.683 6.140 ( 1.122 2.502 2.326) 3.596 6.199 ( 0.441 -2.967 1.471) 3.341 6.362 ( 2.217 1.515 0.286) 2.700 6.388 ( 2.218 -0.976 -0.143) 2.427 8.315 ( 1.839 1.427 -0.567) 2.396 8.352 ( 1.512 -2.014 -0.417) 2.552 8.520 ( -0.157 1.911 -1.160) 2.241 8.554 ( -0.111 -1.258 -1.048) 1.641 8.826 ( 2.310 1.955 1.929) 3.589 8.873 ( 0.832 -2.338 1.630) 2.969 9.244 ( 2.841 0.664 -1.339) 3.210 9.254 ( 2.466 -0.269 -1.665) 2.988 9.554 ( 3.140 0.608 1.451) 3.512 9.560 ( 2.821 -0.058 0.265) 2.834 9.582 ( 2.870 -0.042 0.925) 3.016 9.594 ( 4.046 -0.974 1.574) 4.449 9.740 ( -0.249 1.139 0.698) 1.359 9.762 ( -0.384 -0.363 1.738) 1.816 9.809 ( -1.213 1.556 0.399) 2.013 9.858 ( -2.829 -2.651 0.810) 3.961 10.122 ( -1.491 1.114 -1.828) 2.609 10.132 ( -1.301 0.636 -0.627) 1.578 10.219 ( -3.225 -0.280 -1.967) 3.788 10.228 ( -2.946 -0.748 -1.061) 3.220 ======================= Grid point 47 (27/84) ======================= q-point: ( 0.40 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 3.159 -0.243 -2.513) 4.044 1.538 ( 3.051 -3.652 -2.366) 5.314 1.656 ( 5.035 3.357 4.117) 7.319 1.703 ( 6.346 -0.675 1.357) 6.524 1.743 ( 1.476 4.026 -1.429) 4.520 1.822 ( 2.933 -2.683 2.407) 4.647 1.890 ( 0.271 3.328 -0.064) 3.340 1.992 ( 1.538 -4.329 -0.767) 4.657 2.001 ( 3.067 1.476 1.444) 3.698 2.010 ( 2.780 -0.211 -1.399) 3.120 2.040 ( 2.365 -2.007 -1.143) 3.306 2.051 ( 2.961 -2.382 0.962) 3.920 2.136 ( 1.328 2.556 -1.079) 3.076 2.161 ( -0.291 2.033 -2.817) 3.486 2.218 ( 1.619 1.184 -0.193) 2.015 2.258 ( 0.185 -2.442 -1.393) 2.817 2.317 ( -1.251 3.477 -0.738) 3.768 2.396 ( -0.741 -3.497 2.164) 4.179 2.489 ( 0.484 2.685 6.968) 7.483 2.566 ( 1.376 -5.244 3.977) 6.724 2.703 ( 1.815 2.928 0.679) 3.511 2.774 ( 2.351 -3.376 -1.374) 4.337 2.922 ( 3.393 2.221 0.092) 4.056 2.979 ( 3.673 5.356 -3.477) 7.366 2.997 ( 4.833 -3.508 -3.031) 6.697 3.079 ( 2.071 -3.348 -2.120) 4.471 3.151 ( 1.076 4.948 0.968) 5.156 3.237 ( 2.294 -2.157 -1.587) 3.526 3.376 ( 3.955 2.242 1.532) 4.797 3.436 ( 5.743 -2.869 1.362) 6.562 3.537 ( 11.825 3.669 0.214) 12.382 3.620 ( 8.621 -4.050 -0.918) 9.569 3.708 ( 9.895 0.948 -0.137) 9.941 3.731 ( 9.715 -1.364 0.721) 9.837 3.796 ( 13.381 1.319 -1.184) 13.498 3.823 ( 15.874 -1.332 -3.295) 16.267 3.900 ( 5.160 0.478 1.611) 5.427 3.909 ( 3.212 -0.113 1.496) 3.545 4.029 ( 6.767 2.797 3.416) 8.080 4.071 ( 10.951 1.548 1.084) 11.113 4.154 ( -1.298 -0.527 1.665) 2.176 4.220 ( 1.679 -3.939 -1.506) 4.539 4.352 ( -0.596 3.221 -1.790) 3.733 4.420 ( 1.247 -3.246 -3.422) 4.879 4.806 ( -7.407 1.560 -0.232) 7.573 4.831 ( -9.046 -1.059 -0.743) 9.138 4.877 ( -8.715 1.107 0.913) 8.833 4.895 ( -8.428 -0.446 1.005) 8.500 4.948 ( -8.885 2.525 0.318) 9.242 5.018 ( -8.383 -1.403 0.469) 8.512 5.047 ( -4.375 1.434 0.647) 4.649 5.100 ( -4.904 -2.099 0.797) 5.394 5.438 ( 1.420 0.971 -0.408) 1.768 5.476 ( 2.001 -2.814 0.416) 3.478 5.582 ( 0.329 2.107 -0.030) 2.133 5.620 ( -0.410 -1.461 -0.195) 1.530 5.849 ( 2.106 0.281 -0.185) 2.133 5.851 ( 1.756 0.024 0.326) 1.786 5.932 ( 0.696 1.255 0.376) 1.484 5.951 ( 0.780 -0.483 0.369) 0.989 6.168 ( 0.067 1.202 0.816) 1.454 6.201 ( -0.641 -1.792 -0.901) 2.106 6.385 ( 0.822 1.340 -1.178) 1.964 6.411 ( 0.851 -1.068 -0.539) 1.469 8.342 ( 1.343 1.235 0.189) 1.834 8.374 ( 1.098 -1.901 0.279) 2.213 8.512 ( 0.121 1.965 -0.609) 2.061 8.545 ( 0.067 -1.176 -0.747) 1.395 8.867 ( 0.929 0.851 0.872) 1.532 8.888 ( -0.324 -1.130 0.856) 1.454 9.265 ( 1.630 0.693 -2.576) 3.126 9.278 ( 1.825 -0.445 -1.676) 2.518 9.601 ( 1.636 -0.009 0.097) 1.639 9.602 ( 1.438 -0.121 0.502) 1.528 9.651 ( 2.994 1.052 1.590) 3.549 9.675 ( 3.377 -1.192 1.622) 3.931 9.735 ( -0.422 0.649 -0.461) 0.901 9.754 ( -1.400 -1.048 -0.919) 1.975 9.792 ( -1.172 1.127 1.821) 2.441 9.812 ( -2.799 -0.719 0.650) 2.962 10.088 ( -0.430 1.355 -1.361) 1.969 10.119 ( -0.521 -1.381 -0.560) 1.579 10.164 ( -1.392 1.118 -0.189) 1.795 10.187 ( -1.153 -0.918 -0.105) 1.478 ======================= Grid point 48 (28/84) ======================= q-point: (-0.50 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -4.557 0.722 -8.391) 9.576 1.493 ( -3.042 -4.492 -7.413) 9.186 1.654 ( -6.171 6.860 -2.303) 9.510 1.715 ( -0.771 3.439 -3.812) 5.192 1.768 ( 0.393 -1.363 -0.574) 1.530 1.795 ( -6.346 -5.445 -3.125) 8.927 1.888 ( -0.507 0.653 0.513) 0.973 1.947 ( -1.729 -3.019 -2.860) 4.504 2.015 ( -1.376 0.179 -0.946) 1.680 2.020 ( -3.486 -0.264 -2.845) 4.507 2.089 ( 2.483 3.126 -0.149) 3.995 2.112 ( 1.101 1.577 1.392) 2.374 2.124 ( 0.880 0.802 -3.041) 3.266 2.160 ( 1.260 -2.222 2.992) 3.934 2.246 ( 2.929 2.237 1.293) 3.906 2.289 ( 2.481 -1.959 2.395) 3.966 2.361 ( 3.713 2.282 4.092) 5.978 2.432 ( 1.479 -4.014 3.754) 5.692 2.538 ( -2.045 2.541 6.400) 7.183 2.610 ( -1.016 -4.785 4.103) 6.385 2.748 ( 1.121 2.185 3.152) 3.996 2.810 ( 1.671 -3.640 1.116) 4.158 2.944 ( -0.837 2.384 -0.191) 2.534 2.984 ( 1.907 1.926 -4.453) 5.213 3.055 ( 3.451 0.603 -0.731) 3.579 3.078 ( -0.983 1.303 1.082) 1.958 3.191 ( 1.672 0.745 1.202) 2.190 3.252 ( 0.281 -2.993 -0.525) 3.052 3.405 ( -0.928 2.967 0.337) 3.127 3.471 ( -0.248 -3.145 0.098) 3.156 3.646 ( -0.680 2.132 -0.338) 2.263 3.688 ( 0.405 -1.694 -0.792) 1.913 3.840 ( 1.799 0.318 0.137) 1.832 3.843 ( 3.358 -0.130 0.405) 3.385 3.875 ( -1.414 0.773 -0.861) 1.827 3.888 ( -3.328 -0.264 -0.292) 3.351 4.006 ( -0.316 -0.593 -0.382) 0.773 4.021 ( 0.068 -1.875 -2.389) 3.038 4.124 ( 0.637 2.223 1.292) 2.649 4.136 ( -5.534 1.877 -0.839) 5.903 4.167 ( 0.611 0.468 -0.971) 1.239 4.212 ( 1.122 -2.849 2.778) 4.134 4.358 ( 2.113 2.634 0.749) 3.459 4.416 ( 2.472 -2.543 -1.172) 3.735 4.713 ( -0.461 0.827 -0.683) 1.167 4.727 ( -0.369 -0.741 -1.076) 1.358 4.794 ( 0.129 1.113 0.920) 1.449 4.823 ( -1.497 -0.930 0.260) 1.782 4.860 ( 0.651 2.335 0.449) 2.465 4.929 ( -0.305 -2.667 -0.263) 2.697 4.998 ( -0.730 1.891 -0.478) 2.082 5.039 ( -1.551 -1.629 -0.524) 2.309 5.458 ( 0.720 1.652 0.411) 1.848 5.505 ( 0.007 -2.892 1.184) 3.125 5.590 ( 0.682 1.283 0.177) 1.463 5.609 ( -0.391 -0.493 -0.274) 0.686 5.901 ( 1.582 0.364 2.683) 3.136 5.912 ( 2.169 -0.710 2.689) 3.527 5.966 ( 1.883 1.946 2.128) 3.444 5.990 ( 1.910 -0.408 4.112) 4.552 6.146 ( -2.023 0.570 -1.853) 2.802 6.170 ( -0.703 -1.717 -1.930) 2.677 6.375 ( -0.079 1.817 -2.050) 2.741 6.409 ( -0.279 -1.387 -0.988) 1.726 8.362 ( 0.377 1.093 0.827) 1.421 8.392 ( 0.248 -1.775 0.807) 1.965 8.511 ( 0.204 1.908 -0.557) 1.998 8.542 ( 0.206 -1.074 -0.692) 1.293 8.876 ( -0.587 -0.054 0.272) 0.649 8.878 ( -1.120 -0.275 0.269) 1.184 9.259 ( 0.582 1.181 -3.072) 3.342 9.282 ( 0.794 -0.946 -2.502) 2.790 9.607 ( -1.263 0.536 -0.113) 1.377 9.616 ( -0.358 -0.309 0.438) 0.645 9.681 ( -1.848 0.058 0.455) 1.904 9.690 ( -2.522 -0.997 -1.075) 2.917 9.728 ( 0.929 0.519 -0.320) 1.111 9.735 ( 0.254 -0.016 0.435) 0.504 9.797 ( 0.013 0.237 1.521) 1.539 9.802 ( 0.590 -0.070 1.410) 1.530 10.086 ( 1.159 0.467 -0.450) 1.328 10.096 ( -0.528 -0.408 -1.418) 1.567 10.174 ( 1.311 0.632 1.335) 1.975 10.188 ( 0.900 -0.706 0.825) 1.410 ======================= Grid point 49 (29/84) ======================= q-point: (-0.40 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -10.610 3.329 -10.715) 15.442 1.316 ( -8.140 -5.967 -9.116) 13.600 1.459 ( -12.805 5.412 -3.635) 14.369 1.596 ( -12.458 -6.946 -3.446) 14.674 1.632 ( -3.294 5.008 -5.738) 8.298 1.713 ( -3.297 -2.828 -3.957) 5.876 1.879 ( -4.215 2.533 0.003) 4.917 1.885 ( -1.470 -0.518 -0.952) 1.827 1.902 ( -5.791 0.410 -1.171) 5.922 1.954 ( -3.492 -2.295 -2.494) 4.867 2.071 ( -2.078 2.619 -1.925) 3.858 2.097 ( 0.448 1.898 -3.905) 4.365 2.156 ( -1.119 1.200 2.354) 2.869 2.199 ( -0.448 -2.029 2.899) 3.567 2.313 ( 0.953 0.656 3.143) 3.349 2.344 ( 0.278 -1.704 2.383) 2.943 2.473 ( 3.168 0.551 3.912) 5.064 2.506 ( 2.384 -2.524 5.192) 6.246 2.537 ( -3.007 2.575 4.361) 5.889 2.607 ( -2.473 -4.410 3.030) 5.894 2.776 ( -1.525 1.578 3.025) 3.737 2.828 ( -0.704 -2.982 0.649) 3.132 2.897 ( -4.418 3.851 0.908) 5.931 2.970 ( -1.969 -0.879 0.470) 2.207 3.065 ( -1.353 4.750 1.756) 5.242 3.109 ( 1.236 -1.209 1.214) 2.113 3.209 ( -0.934 -1.190 0.459) 1.581 3.227 ( -2.500 -2.100 -1.379) 3.544 3.349 ( -4.878 4.710 -0.871) 6.837 3.434 ( -5.805 -3.867 0.475) 6.991 3.571 ( -5.205 3.039 0.386) 6.040 3.618 ( -10.110 -1.719 -1.502) 10.364 3.708 ( -8.256 0.182 -1.470) 8.388 3.726 ( -12.583 -1.453 -0.786) 12.691 3.794 ( -10.518 1.071 1.769) 10.719 3.833 ( -10.658 -2.480 1.176) 11.006 3.910 ( -1.964 0.388 -4.961) 5.349 3.928 ( -5.106 -1.708 -4.082) 6.757 3.942 ( -12.058 1.304 -0.042) 12.129 3.972 ( -13.760 -1.381 0.879) 13.857 4.206 ( -0.793 3.197 4.075) 5.240 4.216 ( -2.683 2.419 3.833) 5.267 4.401 ( -0.750 1.068 0.287) 1.336 4.463 ( 1.491 -4.078 -0.638) 4.389 4.814 ( 8.260 0.734 -0.851) 8.336 4.816 ( 11.923 0.487 -0.738) 11.956 4.823 ( 2.985 2.144 -2.019) 4.193 4.869 ( 7.977 -1.118 -0.755) 8.090 4.977 ( 8.780 1.902 1.386) 9.090 5.003 ( 6.495 1.746 0.104) 6.726 5.032 ( 5.806 -3.303 0.082) 6.680 5.054 ( 4.309 -2.609 -0.921) 5.121 5.471 ( 0.065 0.670 0.942) 1.158 5.503 ( -0.755 -2.306 1.105) 2.666 5.599 ( -0.446 1.749 1.168) 2.150 5.614 ( 0.288 0.189 1.786) 1.819 5.928 ( -0.596 0.548 0.378) 0.894 5.941 ( -0.550 -0.544 0.555) 0.952 5.986 ( -0.360 2.281 -2.303) 3.261 6.026 ( -0.991 -1.438 -3.356) 3.783 6.153 ( 1.711 0.515 5.194) 5.493 6.176 ( 2.389 -1.614 5.010) 5.780 6.354 ( -0.384 1.728 -1.036) 2.052 6.386 ( -1.009 -1.249 -1.185) 1.995 8.366 ( -0.849 1.041 0.931) 1.634 8.395 ( -0.736 -1.768 0.858) 2.099 8.506 ( 0.015 1.948 -1.292) 2.338 8.536 ( 0.067 -1.053 -1.240) 1.629 8.846 ( -2.508 0.718 0.458) 2.649 8.867 ( -0.997 -1.207 0.224) 1.582 9.233 ( -0.167 1.534 -3.153) 3.511 9.263 ( 0.018 -1.204 -3.055) 3.284 9.561 ( -3.509 0.794 -0.289) 3.609 9.580 ( -3.754 -0.961 -0.460) 3.902 9.636 ( -3.091 -0.014 -0.305) 3.106 9.639 ( -2.226 -0.195 0.756) 2.358 9.734 ( -0.854 0.573 0.314) 1.076 9.740 ( -0.059 0.210 0.721) 0.753 9.805 ( -0.292 0.882 0.132) 0.938 9.832 ( 1.205 -1.548 0.441) 2.011 10.087 ( 0.948 1.808 -0.817) 2.199 10.123 ( 3.177 -1.485 0.406) 3.531 10.223 ( 2.839 0.264 1.376) 3.166 10.230 ( 2.679 -0.329 1.221) 2.963 ======================= Grid point 50 (30/84) ======================= q-point: (-0.30 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -13.799 6.709 -8.553) 17.566 1.074 ( -11.321 -6.086 -6.007) 14.188 1.168 ( -15.853 2.339 -4.468) 16.636 1.326 ( -14.934 -9.597 -2.540) 17.933 1.520 ( -3.786 6.523 -4.772) 8.925 1.612 ( -4.508 -1.743 -3.651) 6.057 1.738 ( -7.352 4.098 -4.267) 9.437 1.815 ( -7.545 -2.023 -5.444) 9.521 1.829 ( -5.516 0.588 2.927) 6.272 1.867 ( -3.156 -3.055 1.591) 4.672 2.001 ( -5.657 4.617 0.154) 7.304 2.058 ( -1.953 0.019 -2.186) 2.932 2.111 ( -3.522 3.792 -0.316) 5.185 2.191 ( -3.181 -3.226 1.755) 4.858 2.287 ( -5.090 0.895 -0.315) 5.178 2.332 ( -3.078 -3.187 0.750) 4.494 2.500 ( -3.099 1.971 3.961) 5.401 2.525 ( -3.128 2.503 2.333) 4.636 2.563 ( -1.910 -3.947 4.350) 6.177 2.595 ( -2.943 -4.034 4.024) 6.413 2.755 ( -4.042 2.458 3.153) 5.685 2.818 ( -0.941 -3.032 1.002) 3.329 2.834 ( -4.291 3.518 1.807) 5.836 2.913 ( -4.753 -2.008 1.296) 5.320 3.046 ( -3.041 3.242 1.981) 4.867 3.087 ( -9.072 2.412 -0.273) 9.391 3.094 ( -6.197 -1.143 1.288) 6.432 3.167 ( -6.813 -2.898 -0.166) 7.405 3.254 ( -6.985 0.809 0.869) 7.086 3.288 ( -10.974 -2.163 2.910) 11.557 3.387 ( -6.092 4.305 -4.638) 8.784 3.460 ( -10.642 -1.641 -1.858) 10.927 3.514 ( -11.891 2.740 -0.604) 12.218 3.554 ( -13.429 -2.923 -2.233) 13.924 3.573 ( -9.238 0.290 -1.223) 9.323 3.635 ( -5.330 -4.954 -2.643) 7.742 3.722 ( -10.483 3.190 0.948) 10.999 3.771 ( -9.699 -1.605 2.977) 10.272 3.834 ( -3.483 2.379 -1.672) 4.538 3.863 ( -1.442 -0.805 -3.255) 3.651 4.213 ( -1.772 1.377 5.737) 6.160 4.235 ( -0.779 -0.359 2.454) 2.599 4.372 ( -1.094 2.445 -0.390) 2.707 4.425 ( -3.504 -2.203 -2.061) 4.624 4.830 ( 0.995 3.786 -1.397) 4.157 4.919 ( 4.900 -4.451 -1.459) 6.779 5.024 ( 9.489 1.314 -0.456) 9.590 5.043 ( 9.670 -0.456 0.492) 9.693 5.112 ( 9.010 1.169 1.066) 9.148 5.135 ( 5.631 -0.957 -0.942) 5.789 5.175 ( 8.345 -0.241 0.823) 8.389 5.180 ( 10.053 -1.107 1.791) 10.271 5.475 ( -0.099 0.756 1.068) 1.312 5.517 ( 1.254 -2.513 0.771) 2.912 5.602 ( -1.683 2.423 3.162) 4.325 5.633 ( -0.660 -0.292 2.553) 2.653 5.869 ( -2.575 0.262 -6.209) 6.727 5.879 ( -2.626 -0.575 -4.830) 5.528 5.969 ( 0.378 0.876 -1.231) 1.557 5.988 ( 0.375 -0.871 -3.411) 3.541 6.207 ( 0.011 3.285 3.640) 4.903 6.276 ( -0.515 -3.141 3.386) 4.647 6.368 ( 2.064 0.416 4.840) 5.278 6.373 ( 0.142 -0.064 1.563) 1.571 8.348 ( -2.010 1.146 0.486) 2.364 8.380 ( -1.558 -2.081 0.197) 2.607 8.484 ( -0.566 2.243 -2.543) 3.438 8.518 ( -0.335 -1.105 -2.577) 2.824 8.804 ( -3.074 1.718 1.261) 3.741 8.851 ( -1.240 -2.695 0.889) 3.097 9.200 ( -0.440 1.724 -2.877) 3.382 9.231 ( -0.439 -1.156 -3.187) 3.418 9.495 ( -3.843 0.480 0.555) 3.912 9.507 ( -3.819 -0.518 -0.168) 3.858 9.583 ( -3.084 1.049 0.663) 3.324 9.609 ( -2.686 -1.274 1.896) 3.526 9.710 ( -1.790 1.541 -0.582) 2.432 9.737 ( -0.896 -0.838 0.431) 1.300 9.785 ( -1.483 1.886 -1.086) 2.634 9.841 ( -0.407 -3.360 -0.220) 3.392 10.119 ( 3.089 4.619 0.180) 5.560 10.204 ( 5.407 -3.399 0.938) 6.455 10.287 ( 3.172 0.453 0.786) 3.299 10.298 ( 3.929 -0.355 0.882) 4.042 ======================= Grid point 51 (31/84) ======================= q-point: (-0.20 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -13.861 9.726 0.027) 16.933 0.817 ( -16.587 9.205 2.131) 19.089 0.887 ( -10.061 -13.674 -4.139) 17.474 1.066 ( -13.045 -13.274 0.791) 18.628 1.392 ( -11.890 6.418 -5.206) 14.480 1.463 ( -10.353 1.554 -3.777) 11.129 1.502 ( -10.524 9.392 -1.642) 14.201 1.634 ( -4.852 -2.874 -1.193) 5.764 1.810 ( -1.935 0.909 4.668) 5.134 1.845 ( -2.809 -2.567 3.007) 4.849 1.880 ( -6.953 0.610 2.318) 7.355 1.950 ( -10.523 -4.576 -0.101) 11.475 2.071 ( -1.052 3.104 -2.229) 3.964 2.130 ( -2.817 -2.555 0.030) 3.803 2.200 ( -2.834 4.296 0.124) 5.148 2.296 ( -0.088 -4.514 -0.557) 4.550 2.439 ( -5.770 2.050 -1.188) 6.237 2.458 ( -4.181 0.346 0.843) 4.279 2.551 ( -4.463 -1.823 1.368) 5.011 2.560 ( -3.987 -2.718 4.036) 6.291 2.676 ( -7.888 0.870 2.964) 8.471 2.714 ( -8.509 -1.182 0.276) 8.595 2.799 ( -3.352 0.732 -0.161) 3.434 2.842 ( -7.194 -1.395 1.440) 7.468 2.930 ( -6.428 5.200 1.504) 8.403 2.984 ( -6.044 3.007 -1.637) 6.946 2.998 ( -8.677 1.166 -0.314) 8.760 3.027 ( -5.819 -3.416 3.551) 7.625 3.105 ( -7.345 -2.833 0.127) 7.873 3.121 ( -11.867 -3.762 2.269) 12.654 3.243 ( -9.959 0.624 -3.308) 10.512 3.258 ( -9.579 -0.818 -4.861) 10.773 3.335 ( 0.054 5.090 -2.540) 5.689 3.403 ( -2.445 -1.045 0.505) 2.707 3.483 ( -3.384 2.120 0.848) 4.082 3.527 ( -2.792 -1.024 0.249) 2.984 3.632 ( -3.322 1.000 -0.306) 3.483 3.678 ( -4.368 -2.656 1.236) 5.259 3.772 ( -1.785 2.113 -1.963) 3.392 3.803 ( -2.229 -0.913 -2.822) 3.710 4.222 ( -1.625 0.315 0.279) 1.679 4.229 ( -1.129 -0.316 -0.834) 1.439 4.356 ( -1.754 0.250 0.685) 1.900 4.360 ( -0.371 -0.125 0.712) 0.812 4.846 ( 1.120 5.259 1.616) 5.615 4.976 ( 1.693 -6.943 1.631) 7.330 5.156 ( 6.437 1.322 0.072) 6.572 5.182 ( 6.269 -0.430 0.523) 6.306 5.204 ( 3.431 0.626 -0.585) 3.537 5.225 ( 2.930 -0.809 0.165) 3.044 5.341 ( 8.948 0.366 0.408) 8.965 5.353 ( 7.694 -0.736 0.602) 7.752 5.499 ( 1.555 2.564 0.687) 3.076 5.549 ( 1.616 -0.271 -0.512) 1.717 5.595 ( -2.635 0.296 4.967) 5.630 5.630 ( -1.845 -1.356 1.697) 2.850 5.791 ( -0.490 -0.682 -5.777) 5.838 5.793 ( -0.162 -0.820 -5.893) 5.952 5.963 ( 0.303 0.295 -1.438) 1.498 5.969 ( 0.630 -0.202 -2.927) 3.000 6.204 ( -2.485 1.850 0.316) 3.114 6.236 ( -3.516 -1.187 -0.668) 3.771 6.403 ( -0.026 3.825 3.594) 5.249 6.480 ( 2.746 -3.282 6.667) 7.923 8.310 ( -2.356 1.312 -0.100) 2.698 8.343 ( -2.130 -1.906 -1.491) 3.224 8.445 ( -1.053 1.880 -2.512) 3.309 8.474 ( -1.261 -0.930 -4.706) 4.960 8.766 ( -2.934 2.533 1.933) 4.331 8.841 ( -1.253 -4.616 1.421) 4.990 9.171 ( -0.042 1.577 -2.528) 2.980 9.194 ( -0.576 -0.702 -2.987) 3.122 9.447 ( -2.558 0.427 1.298) 2.900 9.456 ( -2.558 -0.146 1.725) 3.088 9.546 ( -2.437 1.504 1.848) 3.408 9.582 ( -2.386 -1.816 1.876) 3.537 9.664 ( -2.802 3.001 -0.306) 4.117 9.714 ( -1.719 -1.475 -0.993) 2.473 9.742 ( -2.157 1.923 -0.210) 2.897 9.815 ( -2.507 -5.455 0.293) 6.010 10.199 ( 5.948 8.027 0.665) 10.013 10.324 ( 7.857 -4.189 0.054) 8.904 10.340 ( 2.581 1.444 -0.420) 2.988 10.373 ( 4.132 -1.648 -0.046) 4.449 ======================= Grid point 52 (32/84) ======================= q-point: (-0.10 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( -10.269 11.919 6.131) 16.884 0.641 ( -10.967 11.962 14.253) 21.599 0.748 ( -4.343 -15.097 1.989) 15.834 0.918 ( -8.491 -11.418 7.470) 16.071 1.028 ( -18.312 17.543 4.572) 25.768 1.332 ( -1.741 -6.109 -0.640) 6.384 1.431 ( -2.617 8.408 2.843) 9.254 1.572 ( -2.598 -5.085 -0.504) 5.732 1.702 ( -12.100 -1.126 1.284) 12.220 1.746 ( -6.892 -6.632 2.896) 9.994 1.854 ( -1.174 3.067 4.436) 5.519 1.919 ( 0.837 -3.306 5.815) 6.742 2.041 ( 0.418 4.113 -0.890) 4.229 2.114 ( 0.056 -3.316 0.349) 3.334 2.194 ( 1.451 5.214 -2.470) 5.949 2.258 ( -4.693 -0.851 -1.637) 5.043 2.383 ( 1.961 0.747 -4.607) 5.062 2.411 ( 2.007 -0.177 -4.590) 5.013 2.442 ( -5.696 -0.207 -2.791) 6.346 2.484 ( -3.664 -2.530 -2.502) 5.107 2.592 ( -4.924 2.593 2.344) 6.039 2.622 ( -2.186 -0.203 1.235) 2.519 2.696 ( -6.528 -0.082 -2.000) 6.828 2.728 ( -6.197 -1.951 -0.778) 6.543 2.834 ( -5.393 2.507 -0.791) 5.999 2.839 ( -4.563 3.517 -0.460) 5.780 2.921 ( -4.972 -3.287 -1.036) 6.049 2.927 ( -1.649 -0.770 -0.289) 1.843 2.996 ( -3.191 -0.105 2.040) 3.789 3.012 ( -3.419 -1.348 0.983) 3.804 3.093 ( -6.831 -0.103 -1.149) 6.928 3.116 ( -4.621 -1.183 -3.104) 5.691 3.353 ( 2.453 4.531 1.295) 5.313 3.414 ( 1.809 0.387 2.171) 2.853 3.496 ( 1.180 1.331 2.017) 2.689 3.506 ( -0.939 2.511 0.766) 2.788 3.585 ( -1.574 -2.280 -1.329) 3.073 3.609 ( -3.032 -2.989 -1.224) 4.430 3.730 ( -0.855 2.152 -1.792) 2.929 3.759 ( -0.331 -0.890 -1.147) 1.489 4.167 ( 0.016 0.813 -6.276) 6.328 4.177 ( -0.572 -0.141 -6.066) 6.094 4.382 ( 0.505 0.730 5.434) 5.506 4.391 ( 0.663 -0.117 4.941) 4.986 4.891 ( 1.320 3.993 2.162) 4.728 5.002 ( -0.695 -6.771 2.171) 7.144 5.213 ( 0.735 1.436 -0.140) 1.619 5.242 ( 0.053 -0.878 -0.580) 1.053 5.265 ( 3.544 0.919 0.699) 3.727 5.295 ( 5.445 -1.296 -0.102) 5.598 5.432 ( 1.507 0.788 -1.190) 2.075 5.447 ( 2.815 -0.325 -0.561) 2.889 5.515 ( 2.432 3.764 -2.976) 5.380 5.569 ( 0.208 1.286 2.584) 2.894 5.608 ( -0.683 -3.220 -0.668) 3.359 5.626 ( -0.937 -2.401 6.502) 6.994 5.751 ( 1.526 1.295 -1.952) 2.796 5.784 ( 2.771 -1.641 -4.200) 5.293 5.956 ( 0.087 0.164 -0.738) 0.761 5.960 ( 0.470 -0.163 -0.346) 0.606 6.133 ( -4.085 1.455 -2.079) 4.809 6.169 ( -2.320 -1.585 -2.074) 3.492 6.403 ( -2.866 7.337 -0.114) 7.878 6.543 ( -1.415 -6.400 0.769) 6.599 8.283 ( 0.408 1.352 -0.183) 1.425 8.296 ( -0.571 -0.284 -1.193) 1.353 8.385 ( -3.012 2.057 -5.582) 6.668 8.414 ( -0.174 -0.671 -1.686) 1.823 8.733 ( -2.900 2.701 1.493) 4.235 8.820 ( -3.144 -5.981 1.053) 6.838 9.157 ( 1.078 0.877 -2.259) 2.652 9.162 ( -0.041 0.071 -2.364) 2.366 9.429 ( -1.015 1.097 0.976) 1.785 9.445 ( -1.425 0.095 1.538) 2.099 9.523 ( -2.426 1.888 1.329) 3.349 9.558 ( -1.596 -1.036 1.032) 2.164 9.627 ( -2.433 2.008 2.462) 4.001 9.666 ( -1.630 -0.631 -0.177) 1.757 9.724 ( -1.144 -0.064 1.918) 2.234 9.775 ( -3.945 -7.287 6.075) 10.275 10.341 ( 8.684 7.769 -3.732) 12.235 10.366 ( 3.692 3.613 -2.254) 5.636 10.426 ( 5.082 -1.521 -0.882) 5.378 10.480 ( 8.631 -1.905 -1.341) 8.940 ======================= Grid point 63 (33/84) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 2.972 0.000 17.609) 17.858 0.854 ( 2.034 0.000 20.165) 20.268 1.107 ( 5.403 0.000 8.870) 10.386 1.313 ( -2.888 0.000 12.331) 12.665 1.405 ( -2.968 0.000 5.803) 6.518 1.444 ( 4.594 0.000 -0.956) 4.693 1.451 ( -7.042 0.000 -2.266) 7.397 1.483 ( -0.774 0.000 19.751) 19.766 1.710 ( -6.105 0.000 -1.373) 6.257 1.780 ( 3.275 0.000 6.684) 7.444 1.872 ( -0.860 0.000 -2.285) 2.442 1.972 ( 3.617 0.000 3.308) 4.902 2.036 ( 2.535 0.000 -5.310) 5.885 2.038 ( 2.355 0.000 -4.070) 4.702 2.093 ( -0.770 0.000 -3.979) 4.053 2.116 ( -3.497 0.000 2.593) 4.354 2.219 ( -2.146 0.000 -4.909) 5.358 2.238 ( -1.126 0.000 -4.134) 4.284 2.355 ( -1.987 0.000 3.922) 4.396 2.363 ( 3.617 0.000 -0.864) 3.718 2.509 ( -1.605 0.000 1.227) 2.020 2.525 ( -1.357 0.000 -4.990) 5.172 2.624 ( -4.794 0.000 -3.503) 5.937 2.684 ( 2.306 0.000 0.380) 2.337 2.692 ( -1.733 0.000 -1.890) 2.564 2.722 ( 1.016 0.000 0.380) 1.085 2.886 ( -0.858 0.000 -2.161) 2.325 2.935 ( 2.514 0.000 1.297) 2.829 2.966 ( 0.609 0.000 -1.429) 1.554 2.978 ( -4.929 0.000 -1.763) 5.235 3.021 ( 6.510 0.000 -4.138) 7.714 3.125 ( 3.030 0.000 2.093) 3.682 3.265 ( -1.536 0.000 -4.687) 4.933 3.338 ( -0.032 0.000 -7.956) 7.956 3.408 ( -1.687 0.000 -5.471) 5.725 3.442 ( -5.794 0.000 -2.195) 6.196 3.512 ( -1.376 0.000 1.294) 1.889 3.712 ( 1.410 0.000 2.467) 2.842 3.712 ( 3.051 0.000 3.718) 4.809 3.811 ( 1.379 0.000 3.397) 3.667 4.080 ( 2.675 0.000 1.671) 3.154 4.158 ( 2.881 0.000 3.470) 4.510 4.484 ( -1.058 0.000 1.043) 1.486 4.511 ( -0.669 0.000 1.165) 1.344 4.892 ( -4.669 0.000 2.245) 5.181 5.110 ( -1.504 0.000 1.565) 2.170 5.149 ( 0.400 0.000 -2.927) 2.954 5.237 ( 0.179 0.000 0.115) 0.213 5.302 ( -1.664 0.000 0.220) 1.678 5.368 ( -2.652 0.000 -1.113) 2.876 5.418 ( 3.842 0.000 2.224) 4.439 5.449 ( 2.092 0.000 0.173) 2.099 5.467 ( 1.363 0.000 -2.613) 2.947 5.542 ( 0.999 0.000 -3.239) 3.390 5.614 ( -3.198 0.000 2.868) 4.296 5.668 ( -5.175 0.000 0.591) 5.209 5.784 ( 1.950 0.000 -0.390) 1.988 5.875 ( 4.344 0.000 -0.295) 4.354 5.936 ( 1.842 0.000 -3.872) 4.287 5.995 ( -1.191 0.000 -0.155) 1.201 6.111 ( 2.006 0.000 4.573) 4.994 6.124 ( 5.103 0.000 -2.507) 5.685 6.211 ( -1.353 0.000 -1.130) 1.762 6.245 ( -11.274 0.000 -8.031) 13.842 8.237 ( -0.673 0.000 0.085) 0.679 8.363 ( 5.948 0.000 -1.037) 6.038 8.370 ( -1.497 0.000 -1.389) 2.042 8.388 ( 9.032 0.000 -2.138) 9.281 8.746 ( -2.609 0.000 4.920) 5.569 8.873 ( -2.578 0.000 2.820) 3.821 9.095 ( 1.799 0.000 -2.901) 3.413 9.122 ( 2.183 0.000 -1.891) 2.888 9.397 ( 0.300 0.000 1.154) 1.192 9.453 ( 0.735 0.000 1.060) 1.290 9.469 ( -1.735 0.000 -0.030) 1.735 9.544 ( -1.277 0.000 -1.125) 1.702 9.696 ( 0.710 0.000 4.821) 4.873 9.736 ( 1.189 0.000 1.611) 2.002 9.804 ( -0.889 0.000 4.198) 4.291 10.127 ( -1.305 0.000 -2.277) 2.625 10.135 ( -0.521 0.000 1.306) 1.406 10.201 ( 0.269 0.000 -6.546) 6.551 10.436 ( -0.201 0.000 -4.164) 4.169 10.445 ( -0.511 0.000 -3.792) 3.827 ======================= Grid point 64 (34/84) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 15.573 0.000 14.959) 21.594 1.099 ( 6.104 0.000 17.360) 18.402 1.336 ( 7.232 0.000 6.641) 9.818 1.363 ( -0.265 0.000 1.306) 1.333 1.397 ( 8.435 0.000 7.412) 11.229 1.443 ( 3.180 0.000 0.868) 3.296 1.539 ( 3.495 0.000 0.102) 3.496 1.549 ( 6.007 0.000 0.611) 6.038 1.738 ( 1.459 0.000 5.045) 5.252 1.865 ( 2.025 0.000 1.915) 2.787 1.888 ( 3.836 0.000 2.377) 4.513 2.012 ( 2.300 0.000 -2.821) 3.640 2.053 ( 4.056 0.000 -3.603) 5.425 2.075 ( 1.754 0.000 -1.846) 2.546 2.104 ( -1.845 0.000 0.515) 1.915 2.148 ( 9.727 0.000 -8.449) 12.884 2.196 ( 7.720 0.000 -1.743) 7.914 2.252 ( 2.209 0.000 3.537) 4.170 2.387 ( 0.190 0.000 5.389) 5.392 2.422 ( 4.993 0.000 -1.701) 5.275 2.491 ( -3.419 0.000 3.207) 4.688 2.514 ( 1.885 0.000 0.711) 2.015 2.633 ( 7.350 0.000 1.223) 7.451 2.686 ( 3.873 0.000 -2.003) 4.361 2.729 ( 3.119 0.000 -4.901) 5.809 2.765 ( 5.868 0.000 2.548) 6.397 2.880 ( 1.262 0.000 -1.953) 2.325 2.918 ( 0.999 0.000 -0.550) 1.141 2.963 ( 3.421 0.000 -5.642) 6.598 3.056 ( 7.076 0.000 4.071) 8.163 3.137 ( 10.002 0.000 -3.479) 10.590 3.190 ( -2.330 0.000 -5.800) 6.251 3.206 ( 5.447 0.000 -5.187) 7.521 3.273 ( 2.053 0.000 -5.968) 6.311 3.365 ( 0.253 0.000 -0.990) 1.022 3.387 ( 5.038 0.000 -1.261) 5.194 3.523 ( -0.651 0.000 4.834) 4.878 3.763 ( 1.772 0.000 2.840) 3.348 3.788 ( 1.309 0.000 2.706) 3.007 3.867 ( 0.776 0.000 5.450) 5.505 4.143 ( 2.218 0.000 1.834) 2.878 4.203 ( -0.561 0.000 2.296) 2.363 4.447 ( -2.678 0.000 -1.793) 3.222 4.484 ( -2.455 0.000 -1.669) 2.969 4.825 ( -4.023 0.000 2.915) 4.968 5.112 ( -0.807 0.000 2.488) 2.615 5.140 ( 1.024 0.000 -2.011) 2.257 5.225 ( -1.780 0.000 0.134) 1.786 5.285 ( -1.316 0.000 1.230) 1.802 5.295 ( -4.519 0.000 -0.343) 4.532 5.422 ( -4.321 0.000 -0.906) 4.415 5.431 ( -2.780 0.000 -2.382) 3.661 5.466 ( -1.362 0.000 2.101) 2.504 5.510 ( -1.270 0.000 -3.328) 3.562 5.585 ( -4.270 0.000 0.904) 4.364 5.613 ( -0.287 0.000 3.614) 3.625 5.794 ( 1.064 0.000 -2.551) 2.764 5.854 ( 0.205 0.000 -5.746) 5.750 5.947 ( -2.015 0.000 -2.420) 3.149 5.998 ( -1.150 0.000 -4.076) 4.235 6.038 ( 0.833 0.000 0.767) 1.132 6.205 ( 2.275 0.000 0.957) 2.468 6.216 ( 6.212 0.000 -0.897) 6.277 6.244 ( 4.342 0.000 0.464) 4.367 8.237 ( 0.849 0.000 -0.382) 0.931 8.342 ( -0.192 0.000 -1.041) 1.059 8.438 ( 4.784 0.000 -4.343) 6.462 8.496 ( 5.497 0.000 -2.683) 6.117 8.755 ( -1.101 0.000 4.734) 4.861 8.888 ( 0.367 0.000 3.345) 3.365 9.113 ( 2.986 0.000 -2.433) 3.852 9.148 ( 3.093 0.000 -2.636) 4.064 9.435 ( 2.328 0.000 1.470) 2.753 9.476 ( 2.163 0.000 0.815) 2.312 9.479 ( 1.559 0.000 0.437) 1.619 9.532 ( 0.630 0.000 -0.594) 0.866 9.740 ( -0.006 0.000 3.091) 3.091 9.769 ( 0.606 0.000 2.235) 2.316 9.820 ( -0.978 0.000 3.007) 3.162 10.058 ( -4.007 0.000 -1.367) 4.233 10.132 ( -0.890 0.000 0.925) 1.283 10.153 ( -0.265 0.000 -4.426) 4.434 10.348 ( -4.565 0.000 -2.588) 5.247 10.372 ( -3.700 0.000 -3.102) 4.828 ======================= Grid point 65 (35/84) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 7.809 0.000 8.397) 11.467 1.353 ( 7.182 0.000 10.910) 13.061 1.444 ( 6.894 0.000 4.787) 8.393 1.453 ( 4.607 0.000 0.792) 4.674 1.523 ( 4.734 0.000 0.566) 4.768 1.661 ( 5.496 0.000 1.694) 5.751 1.682 ( 11.645 0.000 0.594) 11.660 1.736 ( 12.140 0.000 9.444) 15.381 1.785 ( 6.416 0.000 -1.822) 6.670 1.945 ( 2.695 0.000 -1.786) 3.233 1.951 ( 3.345 0.000 2.248) 4.030 2.026 ( 3.903 0.000 -5.435) 6.691 2.045 ( 0.730 0.000 -3.672) 3.744 2.106 ( 4.869 0.000 -3.712) 6.123 2.115 ( 0.943 0.000 -0.773) 1.219 2.192 ( 3.260 0.000 -9.261) 9.819 2.309 ( 1.930 0.000 2.904) 3.487 2.372 ( 11.455 0.000 -0.271) 11.458 2.437 ( 2.148 0.000 3.310) 3.946 2.494 ( -1.263 0.000 4.307) 4.488 2.528 ( 7.076 0.000 1.160) 7.170 2.587 ( 3.345 0.000 2.477) 4.162 2.758 ( 6.181 0.000 0.038) 6.181 2.781 ( 8.152 0.000 -5.587) 9.883 2.843 ( 12.206 0.000 0.778) 12.231 2.908 ( 3.462 0.000 1.526) 3.784 2.911 ( 9.333 0.000 0.536) 9.348 3.004 ( 5.189 0.000 -2.412) 5.722 3.012 ( 10.107 0.000 -2.876) 10.508 3.118 ( -0.371 0.000 -1.646) 1.688 3.210 ( 6.828 0.000 -7.460) 10.113 3.221 ( 10.227 0.000 0.638) 10.247 3.309 ( 10.097 0.000 1.974) 10.289 3.334 ( 9.195 0.000 -4.307) 10.154 3.461 ( 2.767 0.000 -0.078) 2.768 3.464 ( 9.173 0.000 0.826) 9.210 3.648 ( 8.111 0.000 7.524) 11.063 3.813 ( 2.744 0.000 0.969) 2.910 3.823 ( 0.520 0.000 3.116) 3.160 3.922 ( 0.567 0.000 2.944) 2.998 4.187 ( 1.130 0.000 2.221) 2.492 4.195 ( -0.875 0.000 -0.120) 0.883 4.374 ( -1.552 0.000 -5.414) 5.632 4.406 ( -3.569 0.000 -2.878) 4.585 4.827 ( -0.067 0.000 4.408) 4.408 5.109 ( -2.208 0.000 1.787) 2.840 5.125 ( -3.119 0.000 -0.454) 3.152 5.175 ( -4.286 0.000 -0.355) 4.300 5.212 ( -4.274 0.000 -0.166) 4.278 5.244 ( -6.285 0.000 1.401) 6.439 5.322 ( -6.061 0.000 -0.036) 6.061 5.343 ( -6.343 0.000 -0.159) 6.345 5.415 ( -2.607 0.000 -0.821) 2.733 5.451 ( -1.083 0.000 -4.062) 4.204 5.559 ( -0.903 0.000 2.634) 2.785 5.643 ( 0.081 0.000 2.178) 2.180 5.793 ( 1.297 0.000 -0.851) 1.552 5.804 ( 0.066 0.000 -5.183) 5.183 5.908 ( -0.170 0.000 -1.465) 1.474 5.939 ( -0.341 0.000 -1.839) 1.870 6.106 ( 2.772 0.000 2.055) 3.450 6.230 ( 0.508 0.000 -0.824) 0.968 6.301 ( 3.167 0.000 0.682) 3.240 6.327 ( 5.187 0.000 -1.218) 5.328 8.258 ( 1.966 0.000 -0.329) 1.993 8.348 ( 1.440 0.000 -0.266) 1.465 8.460 ( 2.116 0.000 -3.133) 3.780 8.534 ( 2.018 0.000 -2.522) 3.230 8.797 ( 1.215 0.000 3.794) 3.983 8.919 ( 0.064 0.000 2.320) 2.321 9.150 ( 3.758 0.000 -2.753) 4.659 9.179 ( 3.368 0.000 -3.092) 4.572 9.501 ( 3.621 0.000 1.564) 3.944 9.519 ( 2.424 0.000 0.697) 2.522 9.542 ( 4.187 0.000 0.730) 4.250 9.549 ( 1.987 0.000 -0.799) 2.142 9.750 ( -0.963 0.000 1.216) 1.551 9.795 ( -0.098 0.000 2.297) 2.299 9.824 ( -1.234 0.000 2.281) 2.594 9.975 ( -4.449 0.000 -0.643) 4.496 10.109 ( -1.405 0.000 -2.020) 2.461 10.127 ( -0.395 0.000 0.712) 0.814 10.262 ( -3.013 0.000 -1.613) 3.418 10.278 ( -4.273 0.000 -2.096) 4.759 ======================= Grid point 66 (36/84) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 3.648 0.000 1.709) 4.028 1.513 ( 5.327 0.000 2.760) 5.999 1.531 ( 3.920 0.000 -0.703) 3.983 1.603 ( 4.113 0.000 0.149) 4.116 1.649 ( 5.633 0.000 7.033) 9.011 1.769 ( 6.499 0.000 2.353) 6.911 1.797 ( 6.029 0.000 -1.483) 6.209 1.876 ( 5.598 0.000 -1.101) 5.706 1.968 ( 2.905 0.000 -2.440) 3.794 1.973 ( 3.923 0.000 1.481) 4.193 2.011 ( 1.195 0.000 -6.168) 6.282 2.041 ( 3.084 0.000 -6.040) 6.782 2.048 ( 4.367 0.000 3.022) 5.311 2.118 ( 1.511 0.000 -7.700) 7.847 2.130 ( 1.357 0.000 1.925) 2.355 2.176 ( 4.435 0.000 -4.045) 6.002 2.354 ( -0.249 0.000 3.946) 3.954 2.505 ( -2.041 0.000 4.898) 5.307 2.531 ( 4.439 0.000 5.563) 7.117 2.581 ( 9.577 0.000 2.795) 9.976 2.653 ( 4.266 0.000 4.128) 5.937 2.656 ( 4.676 0.000 -1.257) 4.842 2.827 ( 2.079 0.000 -0.785) 2.223 2.832 ( 5.774 0.000 -8.324) 10.131 2.984 ( 1.792 0.000 2.231) 2.862 3.040 ( 2.667 0.000 -0.461) 2.707 3.041 ( 10.563 0.000 -3.562) 11.147 3.119 ( 4.271 0.000 1.992) 4.712 3.208 ( 16.579 0.000 -1.004) 16.609 3.220 ( 15.156 0.000 3.620) 15.582 3.387 ( 7.207 0.000 -1.072) 7.286 3.406 ( 18.528 0.000 -2.373) 18.680 3.502 ( 13.737 0.000 -4.504) 14.457 3.511 ( 8.343 0.000 4.034) 9.267 3.540 ( 8.903 0.000 -0.341) 8.910 3.644 ( 10.512 0.000 -0.292) 10.516 3.782 ( 4.663 0.000 -1.455) 4.885 3.875 ( 2.860 0.000 2.662) 3.907 3.932 ( 0.246 0.000 -1.786) 1.803 3.964 ( 8.740 0.000 8.340) 12.081 4.192 ( 1.877 0.000 -1.702) 2.534 4.235 ( 0.084 0.000 5.119) 5.120 4.322 ( 3.797 0.000 -7.845) 8.715 4.327 ( -2.064 0.000 -3.001) 3.642 4.864 ( -1.475 0.000 4.277) 4.524 4.996 ( -9.828 0.000 -1.105) 9.890 5.043 ( -7.227 0.000 -0.220) 7.230 5.066 ( -8.177 0.000 -0.252) 8.181 5.096 ( -10.181 0.000 0.925) 10.223 5.126 ( -7.169 0.000 0.410) 7.180 5.207 ( -8.648 0.000 0.396) 8.657 5.220 ( -5.761 0.000 -0.259) 5.767 5.397 ( 0.762 0.000 -1.230) 1.447 5.435 ( 3.325 0.000 -2.953) 4.447 5.584 ( -0.079 0.000 3.353) 3.354 5.643 ( -0.714 0.000 -0.585) 0.923 5.792 ( 2.401 0.000 -0.076) 2.402 5.837 ( 2.380 0.000 3.087) 3.898 5.913 ( 1.028 0.000 0.556) 1.168 5.942 ( 1.253 0.000 0.386) 1.311 6.163 ( 1.474 0.000 2.151) 2.608 6.209 ( -0.937 0.000 -2.946) 3.091 6.328 ( 1.194 0.000 -2.763) 3.010 6.394 ( 2.665 0.000 0.437) 2.701 8.297 ( 2.384 0.000 0.260) 2.398 8.379 ( 1.877 0.000 0.498) 1.942 8.466 ( 1.156 0.000 -1.702) 2.057 8.537 ( 0.866 0.000 -1.683) 1.892 8.848 ( 1.269 0.000 2.221) 2.558 8.930 ( -0.815 0.000 1.622) 1.816 9.180 ( 2.848 0.000 -3.707) 4.675 9.208 ( 3.335 0.000 -3.401) 4.764 9.566 ( 2.328 0.000 0.173) 2.334 9.576 ( 3.199 0.000 1.039) 3.364 9.593 ( 3.542 0.000 0.445) 3.569 9.624 ( 4.618 0.000 0.455) 4.640 9.737 ( -1.010 0.000 0.099) 1.015 9.789 ( -1.565 0.000 -0.684) 1.708 9.832 ( -1.191 0.000 4.295) 4.457 9.894 ( -4.384 0.000 -0.270) 4.392 10.074 ( -1.258 0.000 -0.347) 1.305 10.132 ( 0.258 0.000 0.471) 0.537 10.194 ( -3.503 0.000 -1.250) 3.719 10.212 ( -1.607 0.000 -0.886) 1.835 ======================= Grid point 67 (37/84) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -4.848 0.000 -2.069) 5.270 1.558 ( 1.099 0.000 -3.314) 3.491 1.562 ( -1.421 0.000 -0.558) 1.527 1.637 ( -0.518 0.000 -1.588) 1.670 1.739 ( 3.649 0.000 1.825) 4.080 1.852 ( -1.413 0.000 -3.414) 3.695 1.914 ( 4.263 0.000 -2.370) 4.878 1.921 ( 6.069 0.000 -0.371) 6.080 1.955 ( -1.951 0.000 -4.805) 5.186 1.985 ( 4.261 0.000 -6.478) 7.754 2.044 ( 1.553 0.000 -2.388) 2.848 2.049 ( -0.195 0.000 -1.559) 1.571 2.086 ( 0.725 0.000 5.454) 5.502 2.115 ( 6.973 0.000 -1.668) 7.169 2.208 ( 2.205 0.000 3.905) 4.484 2.235 ( 5.401 0.000 -1.552) 5.619 2.397 ( 0.266 0.000 6.432) 6.437 2.522 ( -0.654 0.000 4.350) 4.399 2.604 ( -0.316 0.000 2.276) 2.298 2.664 ( 1.760 0.000 -2.370) 2.952 2.754 ( 2.252 0.000 5.664) 6.095 2.817 ( 7.959 0.000 6.478) 10.263 2.839 ( 0.847 0.000 -1.168) 1.443 2.885 ( 7.434 0.000 -4.727) 8.809 3.012 ( -0.108 0.000 2.881) 2.883 3.072 ( 0.655 0.000 1.404) 1.549 3.158 ( 6.433 0.000 -3.007) 7.101 3.198 ( 3.215 0.000 2.973) 4.379 3.420 ( 0.209 0.000 2.656) 2.665 3.471 ( 3.903 0.000 -0.911) 4.008 3.496 ( 14.218 0.000 -0.763) 14.239 3.614 ( 6.599 0.000 -2.099) 6.925 3.690 ( 10.276 0.000 -0.061) 10.276 3.747 ( 15.633 0.000 -1.093) 15.671 3.753 ( 10.072 0.000 -3.710) 10.733 3.783 ( 13.822 0.000 -2.267) 14.006 3.872 ( 7.547 0.000 -2.535) 7.961 3.911 ( 1.801 0.000 -2.022) 2.708 4.012 ( 8.981 0.000 1.691) 9.139 4.128 ( -0.480 0.000 8.144) 8.158 4.237 ( 2.924 0.000 -0.174) 2.930 4.262 ( 1.826 0.000 0.126) 1.830 4.297 ( 1.466 0.000 -1.021) 1.787 4.374 ( 4.482 0.000 -2.102) 4.950 4.789 ( -9.140 0.000 -0.584) 9.159 4.802 ( -9.560 0.000 -2.658) 9.923 4.899 ( -9.803 0.000 0.336) 9.808 4.910 ( -7.525 0.000 2.709) 7.997 4.965 ( -3.688 0.000 -0.627) 3.741 4.984 ( -8.695 0.000 1.035) 8.756 5.053 ( -9.203 0.000 -0.204) 9.205 5.117 ( -5.319 0.000 -0.960) 5.405 5.412 ( 1.762 0.000 -0.535) 1.842 5.492 ( 4.459 0.000 -0.890) 4.547 5.600 ( -0.476 0.000 2.045) 2.099 5.619 ( -0.835 0.000 -1.375) 1.609 5.884 ( 4.290 0.000 3.573) 5.583 5.910 ( 1.746 0.000 3.654) 4.050 5.944 ( 0.947 0.000 1.942) 2.161 5.994 ( 3.200 0.000 3.639) 4.846 6.147 ( -2.024 0.000 -4.555) 4.984 6.194 ( -0.026 0.000 2.056) 2.056 6.307 ( 0.588 0.000 -4.143) 4.184 6.423 ( 0.330 0.000 0.324) 0.462 8.340 ( 1.851 0.000 0.762) 2.002 8.414 ( 1.280 0.000 0.980) 1.612 8.469 ( 0.637 0.000 -1.207) 1.364 8.537 ( 0.546 0.000 -1.084) 1.214 8.878 ( 0.426 0.000 1.333) 1.399 8.922 ( -1.623 0.000 1.364) 2.119 9.184 ( 1.699 0.000 -4.107) 4.444 9.225 ( 2.434 0.000 -4.201) 4.855 9.608 ( 2.113 0.000 0.677) 2.219 9.616 ( 0.573 0.000 0.366) 0.680 9.665 ( 3.642 0.000 0.996) 3.775 9.696 ( 2.001 0.000 -0.756) 2.139 9.727 ( 1.089 0.000 0.078) 1.092 9.738 ( -3.032 0.000 -1.401) 3.340 9.828 ( -3.142 0.000 0.886) 3.265 9.846 ( -1.667 0.000 3.741) 4.096 10.064 ( 0.135 0.000 0.460) 0.479 10.114 ( -2.004 0.000 -1.622) 2.578 10.163 ( 0.324 0.000 1.068) 1.116 10.191 ( -0.131 0.000 -0.252) 0.284 ======================= Grid point 68 (38/84) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -11.189 0.000 -2.216) 11.406 1.483 ( -6.064 0.000 -0.852) 6.123 1.501 ( -4.255 0.000 -3.355) 5.418 1.573 ( -4.993 0.000 -1.493) 5.211 1.751 ( -3.744 0.000 -5.602) 6.737 1.759 ( -2.798 0.000 -3.122) 4.192 1.884 ( -1.229 0.000 -4.377) 4.546 1.938 ( -0.652 0.000 -1.854) 1.965 1.943 ( 0.245 0.000 -2.206) 2.220 2.001 ( -2.980 0.000 -1.384) 3.286 2.009 ( -2.054 0.000 -0.141) 2.059 2.018 ( 3.146 0.000 -2.371) 3.940 2.163 ( 1.365 0.000 4.007) 4.233 2.256 ( -0.029 0.000 2.528) 2.528 2.265 ( 7.348 0.000 2.717) 7.834 2.340 ( 5.804 0.000 0.584) 5.833 2.470 ( 1.108 0.000 5.818) 5.923 2.557 ( 0.888 0.000 3.013) 3.141 2.584 ( -1.607 0.000 -0.992) 1.888 2.668 ( 1.866 0.000 -3.118) 3.634 2.802 ( 0.267 0.000 -1.084) 1.116 2.862 ( -0.154 0.000 6.939) 6.941 2.945 ( 1.734 0.000 0.168) 1.742 2.973 ( 1.698 0.000 4.689) 4.987 3.047 ( -0.288 0.000 5.131) 5.139 3.108 ( 2.984 0.000 1.886) 3.530 3.206 ( 2.110 0.000 -2.777) 3.488 3.268 ( 0.531 0.000 3.571) 3.610 3.373 ( -5.562 0.000 -0.609) 5.596 3.495 ( 1.728 0.000 -0.927) 1.960 3.599 ( -2.107 0.000 -2.152) 3.012 3.651 ( 3.702 0.000 -4.046) 5.484 3.789 ( 3.522 0.000 -5.884) 6.858 3.813 ( -3.192 0.000 -1.800) 3.664 3.837 ( 3.250 0.000 -0.953) 3.386 3.898 ( -2.367 0.000 0.682) 2.463 4.013 ( 2.915 0.000 -1.301) 3.192 4.018 ( 0.503 0.000 -1.477) 1.561 4.115 ( -2.174 0.000 2.287) 3.156 4.136 ( -3.008 0.000 4.340) 5.280 4.196 ( -5.027 0.000 4.234) 6.572 4.305 ( 0.335 0.000 1.418) 1.457 4.355 ( 3.340 0.000 0.299) 3.353 4.405 ( 4.618 0.000 -1.793) 4.954 4.681 ( 0.665 0.000 -2.132) 2.234 4.682 ( 1.006 0.000 -3.224) 3.378 4.797 ( -0.915 0.000 -0.449) 1.019 4.824 ( -4.833 0.000 1.805) 5.159 4.897 ( -2.512 0.000 -1.340) 2.847 4.907 ( 0.112 0.000 1.875) 1.878 4.991 ( 3.477 0.000 -0.387) 3.498 5.038 ( -1.889 0.000 -1.111) 2.191 5.447 ( 2.142 0.000 0.799) 2.286 5.540 ( 0.725 0.000 -0.854) 1.120 5.608 ( 1.264 0.000 0.350) 1.311 5.619 ( -0.135 0.000 3.656) 3.659 5.941 ( 0.285 0.000 -0.541) 0.611 5.944 ( -0.751 0.000 0.652) 0.994 5.963 ( -0.261 0.000 0.787) 0.830 6.011 ( -2.330 0.000 -6.496) 6.901 6.173 ( 4.477 0.000 7.352) 8.608 6.208 ( 0.349 0.000 2.991) 3.011 6.300 ( 2.093 0.000 -1.485) 2.566 6.414 ( -1.314 0.000 -0.270) 1.341 8.369 ( 0.589 0.000 0.822) 1.011 8.438 ( 0.296 0.000 1.145) 1.182 8.462 ( -0.109 0.000 -1.613) 1.617 8.534 ( 0.103 0.000 -1.069) 1.074 8.890 ( -0.262 0.000 1.144) 1.174 8.900 ( -2.429 0.000 1.709) 2.970 9.169 ( 0.924 0.000 -4.092) 4.195 9.218 ( 1.438 0.000 -4.628) 4.846 9.608 ( -1.899 0.000 0.974) 2.134 9.647 ( 0.370 0.000 1.753) 1.792 9.664 ( -2.950 0.000 -1.787) 3.449 9.669 ( -1.796 0.000 -1.772) 2.523 9.728 ( 2.020 0.000 1.337) 2.422 9.758 ( -0.674 0.000 1.036) 1.236 9.819 ( 1.505 0.000 0.823) 1.716 9.836 ( -2.491 0.000 1.990) 3.188 10.069 ( -1.427 0.000 -1.218) 1.875 10.090 ( 2.335 0.000 0.594) 2.409 10.191 ( 1.719 0.000 0.825) 1.907 10.203 ( 1.567 0.000 0.070) 1.568 ======================= Grid point 69 (39/84) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -14.596 0.000 3.448) 14.998 1.341 ( -13.236 0.000 3.819) 13.776 1.364 ( -7.898 0.000 -2.338) 8.236 1.445 ( -6.501 0.000 -1.428) 6.656 1.632 ( -5.815 0.000 -3.206) 6.640 1.654 ( -5.416 0.000 -2.782) 6.089 1.762 ( -6.026 0.000 -3.891) 7.173 1.875 ( -4.426 0.000 -5.300) 6.905 1.934 ( -4.065 0.000 1.051) 4.199 1.942 ( 0.545 0.000 -0.120) 0.558 1.986 ( 0.032 0.000 -1.223) 1.224 2.031 ( -1.700 0.000 1.789) 2.468 2.173 ( -3.650 0.000 1.104) 3.813 2.259 ( -1.006 0.000 1.007) 1.423 2.343 ( -1.643 0.000 0.405) 1.692 2.411 ( 1.456 0.000 0.971) 1.750 2.510 ( 0.359 0.000 0.677) 0.766 2.558 ( -0.621 0.000 0.251) 0.670 2.617 ( 2.479 0.000 1.740) 3.028 2.664 ( -0.172 0.000 -2.397) 2.403 2.797 ( 1.052 0.000 0.131) 1.060 2.901 ( -4.833 0.000 -0.526) 4.862 2.931 ( -1.293 0.000 10.041) 10.124 3.001 ( -1.520 0.000 1.591) 2.201 3.073 ( -2.451 0.000 4.782) 5.373 3.173 ( -0.593 0.000 -2.131) 2.212 3.182 ( -2.158 0.000 -2.444) 3.260 3.254 ( -3.292 0.000 2.264) 3.995 3.278 ( -3.623 0.000 2.650) 4.488 3.480 ( -8.175 0.000 -1.615) 8.333 3.519 ( 0.467 0.000 -0.493) 0.679 3.594 ( -17.651 0.000 0.302) 17.654 3.656 ( 0.770 0.000 -4.246) 4.315 3.725 ( -12.363 0.000 -2.355) 12.586 3.787 ( -1.828 0.000 -5.425) 5.725 3.822 ( -7.138 0.000 -0.863) 7.190 3.837 ( -12.212 0.000 -2.905) 12.552 3.862 ( -13.548 0.000 -1.293) 13.609 3.983 ( -13.522 0.000 2.573) 13.764 4.032 ( -12.001 0.000 2.635) 12.287 4.187 ( 0.352 0.000 2.583) 2.606 4.310 ( -1.579 0.000 4.921) 5.168 4.411 ( -0.480 0.000 0.317) 0.575 4.477 ( 0.527 0.000 -2.277) 2.337 4.751 ( 2.369 0.000 -3.843) 4.514 4.765 ( 10.016 0.000 -2.969) 10.447 4.808 ( 10.420 0.000 1.678) 10.554 4.878 ( 9.920 0.000 1.147) 9.986 4.965 ( 7.545 0.000 0.396) 7.556 5.025 ( 9.699 0.000 1.722) 9.851 5.050 ( 4.542 0.000 -1.870) 4.912 5.074 ( 5.218 0.000 1.088) 5.331 5.490 ( 1.480 0.000 0.702) 1.638 5.518 ( -0.981 0.000 -1.227) 1.571 5.654 ( 1.407 0.000 2.688) 3.034 5.664 ( 0.220 0.000 6.064) 6.068 5.848 ( -4.442 0.000 -7.550) 8.760 5.884 ( -3.155 0.000 -4.324) 5.353 5.948 ( -0.679 0.000 -3.409) 3.476 5.963 ( -0.591 0.000 0.149) 0.609 6.210 ( -0.772 0.000 2.678) 2.787 6.343 ( 1.603 0.000 1.505) 2.199 6.358 ( 6.008 0.000 7.136) 9.329 6.377 ( -1.814 0.000 -1.057) 2.099 8.372 ( -1.012 0.000 0.567) 1.160 8.433 ( -1.214 0.000 -2.380) 2.672 8.445 ( -0.605 0.000 1.111) 1.265 8.517 ( -0.773 0.000 -1.652) 1.824 8.867 ( -3.191 0.000 2.147) 3.846 8.898 ( -0.420 0.000 1.669) 1.721 9.145 ( 0.457 0.000 -3.749) 3.777 9.195 ( 0.729 0.000 -4.526) 4.584 9.575 ( -3.361 0.000 2.089) 3.957 9.578 ( -4.421 0.000 -0.572) 4.458 9.625 ( -2.021 0.000 -0.244) 2.035 9.676 ( -0.117 0.000 1.896) 1.900 9.728 ( -2.838 0.000 0.076) 2.839 9.758 ( 0.218 0.000 1.127) 1.148 9.796 ( -2.993 0.000 -0.088) 2.994 9.864 ( 2.277 0.000 0.827) 2.423 10.049 ( -0.060 0.000 -0.221) 0.229 10.154 ( 4.512 0.000 0.194) 4.516 10.238 ( 3.169 0.000 0.283) 3.181 10.239 ( 2.475 0.000 -0.381) 2.504 ======================= Grid point 70 (40/84) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -13.411 0.000 15.544) 20.529 1.083 ( -19.231 0.000 4.248) 19.695 1.211 ( -8.483 0.000 0.563) 8.501 1.373 ( -4.157 0.000 5.123) 6.597 1.487 ( -9.045 0.000 -0.186) 9.047 1.495 ( -9.817 0.000 -0.666) 9.839 1.677 ( -13.539 0.000 -5.629) 14.663 1.681 ( -1.434 0.000 -0.974) 1.734 1.901 ( -1.702 0.000 3.910) 4.264 1.927 ( -1.369 0.000 -1.941) 2.375 1.990 ( -5.879 0.000 3.866) 7.036 1.990 ( 1.067 0.000 -0.433) 1.151 2.072 ( -6.552 0.000 -0.727) 6.592 2.240 ( -1.811 0.000 -0.321) 1.839 2.257 ( -6.758 0.000 -0.828) 6.809 2.382 ( -4.431 0.000 -0.203) 4.435 2.493 ( -2.937 0.000 -1.036) 3.114 2.547 ( -4.188 0.000 1.955) 4.621 2.614 ( -1.159 0.000 -1.683) 2.044 2.615 ( -1.719 0.000 -4.389) 4.713 2.805 ( -5.270 0.000 -2.414) 5.796 2.847 ( 1.699 0.000 2.611) 3.115 2.956 ( -4.175 0.000 -0.969) 4.286 2.970 ( -6.000 0.000 9.394) 11.146 3.012 ( -7.775 0.000 0.938) 7.831 3.034 ( -8.245 0.000 -2.775) 8.699 3.127 ( -0.511 0.000 -2.160) 2.220 3.210 ( -13.341 0.000 0.749) 13.362 3.234 ( -2.171 0.000 -0.993) 2.387 3.313 ( -10.037 0.000 0.271) 10.040 3.332 ( -7.849 0.000 3.212) 8.481 3.419 ( -18.111 0.000 -0.802) 18.129 3.442 ( -11.769 0.000 -1.871) 11.917 3.563 ( -7.382 0.000 -0.976) 7.446 3.596 ( -6.410 0.000 0.508) 6.430 3.651 ( -10.510 0.000 -2.223) 10.743 3.678 ( -7.686 0.000 -3.055) 8.271 3.714 ( -2.055 0.000 -1.173) 2.366 3.803 ( -5.360 0.000 -2.222) 5.802 3.862 ( -9.539 0.000 0.907) 9.582 4.186 ( 0.065 0.000 -4.453) 4.454 4.314 ( -5.457 0.000 2.372) 5.950 4.397 ( -2.436 0.000 -1.032) 2.645 4.404 ( -0.848 0.000 3.603) 3.702 4.776 ( 2.930 0.000 0.476) 2.968 4.949 ( 12.237 0.000 -1.143) 12.290 5.010 ( 7.615 0.000 1.247) 7.716 5.071 ( 8.603 0.000 1.881) 8.806 5.120 ( 5.257 0.000 -1.865) 5.578 5.123 ( 9.945 0.000 0.907) 9.986 5.183 ( 6.630 0.000 0.511) 6.650 5.222 ( 10.173 0.000 0.779) 10.203 5.485 ( -2.127 0.000 -1.591) 2.656 5.506 ( 0.994 0.000 -0.740) 1.239 5.688 ( -0.897 0.000 3.604) 3.714 5.719 ( -1.408 0.000 6.061) 6.222 5.730 ( -1.063 0.000 -4.848) 4.963 5.785 ( -2.701 0.000 -5.374) 6.014 5.912 ( 0.606 0.000 -2.726) 2.793 5.948 ( -0.395 0.000 -0.746) 0.844 6.211 ( -1.243 0.000 0.714) 1.434 6.303 ( -3.885 0.000 -1.470) 4.154 6.389 ( 0.554 0.000 0.706) 0.898 6.503 ( 4.745 0.000 3.952) 6.175 8.345 ( -2.409 0.000 0.370) 2.437 8.378 ( -2.486 0.000 -2.711) 3.678 8.439 ( -1.035 0.000 0.911) 1.379 8.475 ( -2.124 0.000 -2.442) 3.236 8.829 ( -3.668 0.000 2.834) 4.635 8.908 ( -0.164 0.000 1.830) 1.837 9.120 ( 0.341 0.000 -3.197) 3.215 9.165 ( 0.248 0.000 -4.065) 4.073 9.504 ( -3.858 0.000 0.277) 3.868 9.537 ( -3.241 0.000 2.594) 4.151 9.597 ( -2.033 0.000 1.576) 2.573 9.667 ( -3.740 0.000 -0.643) 3.795 9.681 ( -1.326 0.000 2.343) 2.692 9.734 ( -3.032 0.000 -1.680) 3.466 9.763 ( -0.743 0.000 1.315) 1.511 9.911 ( 1.848 0.000 2.076) 2.780 10.063 ( 1.095 0.000 0.907) 1.422 10.239 ( 5.527 0.000 -1.647) 5.767 10.274 ( 2.391 0.000 -1.352) 2.746 10.304 ( 4.515 0.000 -0.507) 4.543 ======================= Grid point 71 (41/84) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -17.370 0.000 9.494) 19.795 0.934 ( -8.303 0.000 25.717) 27.024 1.074 ( -11.060 0.000 3.324) 11.549 1.315 ( -17.827 0.000 3.281) 18.126 1.329 ( -5.327 0.000 2.126) 5.736 1.354 ( -12.649 0.000 4.261) 13.347 1.413 ( -2.536 0.000 8.854) 9.210 1.659 ( -1.401 0.000 0.508) 1.490 1.860 ( -5.098 0.000 -0.422) 5.116 1.911 ( -5.953 0.000 3.384) 6.848 1.943 ( 0.290 0.000 -0.532) 0.606 1.989 ( -2.198 0.000 -1.156) 2.484 1.993 ( -0.059 0.000 3.677) 3.678 2.113 ( -7.916 0.000 -0.125) 7.917 2.194 ( -1.943 0.000 -1.615) 2.527 2.314 ( -0.801 0.000 -2.141) 2.286 2.382 ( -7.921 0.000 -1.775) 8.117 2.434 ( -6.863 0.000 -2.470) 7.294 2.495 ( -5.262 0.000 -6.834) 8.625 2.600 ( -5.548 0.000 -0.121) 5.549 2.667 ( -4.024 0.000 -1.542) 4.310 2.823 ( -12.333 0.000 -0.701) 12.353 2.823 ( -8.186 0.000 -2.050) 8.439 2.848 ( -3.458 0.000 -0.409) 3.482 2.871 ( -10.015 0.000 -2.704) 10.374 2.901 ( -7.741 0.000 0.645) 7.768 2.988 ( -7.583 0.000 0.212) 7.586 3.069 ( -4.737 0.000 -2.251) 5.245 3.117 ( -11.079 0.000 -6.305) 12.748 3.156 ( -11.735 0.000 2.035) 11.910 3.175 ( -4.054 0.000 -3.503) 5.358 3.192 ( -4.336 0.000 1.908) 4.737 3.348 ( -3.368 0.000 7.920) 8.607 3.456 ( -8.186 0.000 1.440) 8.312 3.503 ( -6.034 0.000 -1.322) 6.177 3.524 ( -0.492 0.000 4.503) 4.530 3.611 ( 1.664 0.000 -0.603) 1.770 3.671 ( -2.802 0.000 -1.947) 3.412 3.720 ( -5.628 0.000 -2.957) 6.357 3.740 ( 0.830 0.000 -3.341) 3.443 4.122 ( -0.911 0.000 -6.275) 6.340 4.164 ( -7.169 0.000 -3.957) 8.189 4.421 ( 1.046 0.000 3.468) 3.623 4.444 ( 0.604 0.000 4.600) 4.640 4.845 ( 2.377 0.000 3.751) 4.441 5.108 ( 2.837 0.000 1.712) 3.314 5.145 ( 10.255 0.000 0.495) 10.267 5.166 ( 2.380 0.000 -0.847) 2.526 5.192 ( 4.119 0.000 -0.378) 4.136 5.238 ( 3.300 0.000 0.466) 3.333 5.331 ( 8.924 0.000 -1.479) 9.046 5.367 ( 5.923 0.000 -0.223) 5.927 5.413 ( -2.210 0.000 -3.245) 3.926 5.537 ( 2.846 0.000 -1.351) 3.150 5.679 ( -2.358 0.000 -0.153) 2.362 5.703 ( 1.757 0.000 -2.775) 3.284 5.722 ( -0.772 0.000 0.404) 0.871 5.737 ( -2.016 0.000 4.852) 5.254 5.936 ( 2.320 0.000 1.468) 2.746 5.947 ( 0.819 0.000 0.039) 0.820 6.168 ( -3.270 0.000 -2.299) 3.997 6.211 ( -4.106 0.000 -2.947) 5.054 6.372 ( -2.586 0.000 -0.724) 2.685 6.580 ( 2.153 0.000 -1.245) 2.488 8.301 ( -2.905 0.000 0.401) 2.932 8.309 ( -2.467 0.000 -1.840) 3.078 8.397 ( -4.159 0.000 -2.590) 4.900 8.427 ( -1.023 0.000 0.323) 1.073 8.792 ( -3.827 0.000 3.388) 5.111 8.921 ( -0.311 0.000 1.360) 1.395 9.102 ( 0.721 0.000 -2.684) 2.779 9.133 ( 0.058 0.000 -3.306) 3.306 9.455 ( -2.469 0.000 1.090) 2.699 9.501 ( -3.409 0.000 0.429) 3.435 9.563 ( -3.343 0.000 0.547) 3.388 9.619 ( -1.828 0.000 3.036) 3.544 9.663 ( -3.197 0.000 -1.841) 3.689 9.683 ( -0.594 0.000 1.947) 2.036 9.765 ( -0.812 0.000 2.401) 2.535 9.982 ( 3.362 0.000 4.901) 5.943 10.095 ( 1.158 0.000 1.510) 1.903 10.274 ( 1.974 0.000 -4.493) 4.907 10.323 ( 5.014 0.000 -2.797) 5.741 10.381 ( 5.298 0.000 -1.590) 5.531 ======================= Grid point 72 (42/84) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -7.292 0.000 17.927) 19.354 0.767 ( -22.669 0.000 9.679) 24.649 1.045 ( -5.447 0.000 10.325) 11.674 1.188 ( -5.896 0.000 24.920) 25.608 1.326 ( 2.640 0.000 2.635) 3.730 1.332 ( -1.832 0.000 13.361) 13.486 1.449 ( -3.755 0.000 7.139) 8.066 1.634 ( -4.942 0.000 0.685) 4.989 1.724 ( -8.059 0.000 2.686) 8.495 1.836 ( -4.946 0.000 -0.581) 4.980 1.900 ( -0.774 0.000 -1.881) 2.034 1.913 ( -1.632 0.000 2.051) 2.621 2.055 ( 0.092 0.000 -2.430) 2.432 2.067 ( 0.095 0.000 -0.775) 0.780 2.186 ( 1.815 0.000 -0.627) 1.920 2.208 ( -7.962 0.000 -2.620) 8.382 2.279 ( -5.893 0.000 -4.557) 7.449 2.322 ( 2.698 0.000 -2.643) 3.777 2.345 ( -4.414 0.000 -7.128) 8.384 2.423 ( -8.798 0.000 -0.084) 8.798 2.601 ( -8.333 0.000 -3.352) 8.982 2.655 ( -7.336 0.000 -3.587) 8.166 2.668 ( 0.340 0.000 -3.527) 3.543 2.715 ( -2.933 0.000 1.556) 3.320 2.762 ( -7.730 0.000 -0.884) 7.780 2.766 ( -4.906 0.000 -0.912) 4.990 2.936 ( -1.865 0.000 1.751) 2.558 2.952 ( -1.997 0.000 -2.259) 3.015 2.954 ( -4.550 0.000 -2.800) 5.343 3.054 ( -4.397 0.000 -4.242) 6.110 3.078 ( -2.649 0.000 2.341) 3.536 3.104 ( -5.863 0.000 0.656) 5.900 3.347 ( -2.799 0.000 -2.277) 3.608 3.388 ( -0.792 0.000 -2.121) 2.265 3.429 ( -1.558 0.000 2.816) 3.218 3.559 ( -5.148 0.000 1.394) 5.333 3.587 ( -1.952 0.000 -7.539) 7.788 3.622 ( 2.542 0.000 1.690) 3.053 3.676 ( 1.340 0.000 2.258) 2.626 3.757 ( 2.400 0.000 0.318) 2.421 4.058 ( -1.125 0.000 -1.972) 2.270 4.086 ( 1.693 0.000 -0.692) 1.829 4.467 ( 0.734 0.000 2.806) 2.900 4.492 ( 0.432 0.000 3.487) 3.514 4.906 ( 0.138 0.000 3.428) 3.431 5.131 ( -1.380 0.000 1.019) 1.716 5.171 ( 0.349 0.000 -2.459) 2.484 5.223 ( 1.532 0.000 -0.445) 1.595 5.304 ( 2.842 0.000 2.246) 3.622 5.324 ( 7.457 0.000 1.614) 7.629 5.359 ( 0.263 0.000 -3.391) 3.401 5.422 ( 1.342 0.000 -0.997) 1.672 5.434 ( 4.562 0.000 -1.824) 4.913 5.550 ( 1.661 0.000 -4.158) 4.478 5.643 ( -2.282 0.000 1.600) 2.787 5.713 ( 0.798 0.000 -1.485) 1.686 5.744 ( 1.162 0.000 2.128) 2.425 5.773 ( 2.358 0.000 3.520) 4.237 5.977 ( 1.405 0.000 1.821) 2.300 5.995 ( 1.234 0.000 0.842) 1.494 6.060 ( -5.003 0.000 -0.453) 5.024 6.125 ( -1.523 0.000 -4.039) 4.317 6.292 ( -4.698 0.000 -2.093) 5.143 6.512 ( -6.426 0.000 -8.528) 10.677 8.259 ( -2.179 0.000 0.415) 2.219 8.288 ( 2.030 0.000 -0.198) 2.039 8.316 ( -1.793 0.000 0.072) 1.795 8.406 ( -1.321 0.000 -0.766) 1.527 8.760 ( -3.696 0.000 4.206) 5.599 8.909 ( -2.414 0.000 0.937) 2.589 9.097 ( 1.441 0.000 -3.076) 3.396 9.113 ( 0.559 0.000 -1.951) 2.029 9.424 ( -3.933 0.000 -0.349) 3.949 9.440 ( -0.693 0.000 1.504) 1.656 9.516 ( -2.725 0.000 -0.302) 2.742 9.593 ( -2.648 0.000 -1.923) 3.272 9.643 ( -0.027 0.000 5.001) 5.001 9.702 ( 0.741 0.000 1.866) 2.007 9.780 ( -0.773 0.000 3.897) 3.973 10.105 ( 4.779 0.000 2.262) 5.287 10.123 ( 0.402 0.000 1.575) 1.626 10.251 ( 0.976 0.000 -6.116) 6.193 10.390 ( 6.656 0.000 -3.069) 7.330 10.445 ( 3.912 0.000 -2.997) 4.928 ======================= Grid point 73 (43/84) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 6.194 8.032 15.769) 18.750 0.941 ( -2.065 7.166 15.626) 17.315 0.976 ( 6.248 -9.709 11.570) 16.345 1.149 ( -4.637 -11.803 10.517) 16.475 1.437 ( -1.505 1.329 2.837) 3.476 1.452 ( -3.297 2.215 6.121) 7.297 1.472 ( 2.573 4.518 5.796) 7.786 1.579 ( 0.843 -1.256 7.261) 7.417 1.730 ( -2.376 5.127 6.208) 8.395 1.850 ( -1.061 4.430 0.643) 4.601 1.876 ( -0.926 -6.015 1.456) 6.258 1.891 ( 2.282 -0.582 0.929) 2.531 2.039 ( 0.972 0.694 -2.782) 3.027 2.046 ( 1.344 -0.079 -5.748) 5.903 2.085 ( -1.041 1.302 -6.273) 6.490 2.157 ( -2.595 -2.798 -1.763) 4.204 2.198 ( -2.326 2.911 -1.586) 4.049 2.266 ( 1.034 2.745 -0.394) 2.960 2.292 ( -1.586 -3.537 0.606) 3.924 2.357 ( 0.517 -3.203 -0.444) 3.275 2.509 ( -1.418 0.659 -1.542) 2.197 2.535 ( 2.518 -0.462 -1.098) 2.786 2.602 ( -2.836 0.244 0.338) 2.867 2.652 ( -1.081 -2.907 0.623) 3.163 2.758 ( -1.079 5.111 -1.739) 5.506 2.783 ( 2.034 5.777 -3.256) 6.936 2.883 ( -0.635 -5.419 0.475) 5.477 2.898 ( -0.326 -2.678 -3.589) 4.490 2.924 ( -1.491 0.473 -2.088) 2.609 2.963 ( -0.678 -0.910 -1.516) 1.894 3.012 ( 3.663 -0.121 -1.696) 4.038 3.052 ( 2.010 -4.401 0.875) 4.917 3.321 ( -0.662 4.070 -5.756) 7.080 3.360 ( -0.517 1.106 -7.591) 7.689 3.417 ( -1.884 -0.468 -6.419) 6.706 3.429 ( -3.804 -1.720 -3.051) 5.170 3.567 ( -0.318 5.257 3.419) 6.279 3.660 ( 1.201 -3.574 2.691) 4.632 3.758 ( 2.145 2.378 2.959) 4.360 3.797 ( 1.666 -1.425 3.208) 3.886 4.110 ( 2.586 2.376 2.233) 4.162 4.148 ( 2.745 -1.158 3.127) 4.319 4.493 ( -0.919 0.734 0.881) 1.470 4.506 ( -0.702 -0.508 0.989) 1.315 4.924 ( -4.147 3.455 2.307) 5.870 5.024 ( -2.952 -6.087 2.011) 7.058 5.180 ( 0.885 2.205 -1.676) 2.908 5.222 ( 0.479 -1.658 -0.575) 1.819 5.317 ( -1.776 1.326 -0.099) 2.219 5.347 ( -1.756 -1.585 -0.571) 2.433 5.433 ( 2.888 0.761 0.735) 3.076 5.445 ( 2.249 -0.509 -0.425) 2.345 5.499 ( 1.438 2.509 -1.845) 3.430 5.535 ( 1.249 -0.962 -2.661) 3.093 5.633 ( -3.327 1.584 1.840) 4.119 5.660 ( -4.384 -0.911 0.604) 4.518 5.803 ( 2.180 1.843 -0.524) 2.903 5.847 ( 2.936 -2.292 -0.404) 3.747 5.964 ( 1.107 2.842 -2.996) 4.275 6.024 ( -0.088 0.881 -1.517) 1.757 6.048 ( 1.482 -2.129 1.095) 2.816 6.102 ( 2.523 -3.542 1.329) 4.547 6.226 ( -3.914 1.903 -3.559) 5.622 6.252 ( -5.458 -0.374 -4.903) 7.346 8.270 ( -0.954 2.814 -0.301) 2.987 8.327 ( -0.074 -2.634 -0.155) 2.640 8.383 ( 6.462 0.910 -3.076) 7.214 8.395 ( 6.928 -0.045 -2.172) 7.261 8.766 ( -2.733 2.133 4.944) 6.038 8.827 ( -2.638 -3.578 4.057) 6.018 9.108 ( 2.222 1.052 -2.889) 3.793 9.124 ( 2.292 -0.260 -2.504) 3.405 9.412 ( -0.224 1.363 0.870) 1.632 9.439 ( -0.305 -1.196 0.367) 1.287 9.492 ( -1.040 1.876 0.226) 2.157 9.528 ( -1.190 -1.495 -0.649) 2.018 9.708 ( 0.737 0.987 3.527) 3.736 9.727 ( 0.998 -0.800 2.029) 2.398 9.847 ( -0.795 4.408 5.116) 6.800 9.973 ( -1.048 -7.913 4.454) 9.141 10.210 ( 0.469 1.368 -5.680) 5.861 10.220 ( -0.049 0.962 -6.348) 6.421 10.437 ( -0.661 0.749 -3.448) 3.590 10.451 ( -0.601 -0.178 -4.124) 4.171 ======================= Grid point 74 (44/84) ======================= q-point: ( 0.10 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 7.695 2.487 12.730) 15.082 1.102 ( 8.282 2.199 12.827) 15.426 1.224 ( 4.934 -5.590 10.360) 12.764 1.257 ( 10.987 -5.999 10.686) 16.459 1.458 ( 4.876 1.342 -0.481) 5.080 1.477 ( 6.063 0.917 0.190) 6.135 1.573 ( 4.101 4.526 3.057) 6.830 1.623 ( 3.347 1.871 -0.224) 3.841 1.781 ( 1.364 4.255 1.962) 4.880 1.845 ( 0.816 -1.104 2.851) 3.164 1.933 ( 2.934 2.492 2.955) 4.853 1.966 ( 2.661 -1.969 -1.159) 3.507 2.034 ( 1.259 -2.842 -5.472) 6.293 2.057 ( 4.871 -4.675 -7.640) 10.196 2.087 ( 3.850 0.536 -0.987) 4.010 2.101 ( 3.651 -0.460 -0.566) 3.723 2.237 ( 5.534 2.477 1.027) 6.149 2.269 ( 0.102 0.594 0.889) 1.074 2.348 ( 2.857 -0.787 5.107) 5.905 2.395 ( 4.100 -3.104 2.345) 5.652 2.531 ( 2.059 3.910 1.336) 4.617 2.586 ( 1.674 2.702 -0.622) 3.239 2.636 ( 7.038 0.317 2.051) 7.338 2.681 ( 3.641 -2.006 0.879) 4.249 2.729 ( 3.455 1.500 -5.108) 6.347 2.793 ( 1.479 3.098 -2.684) 4.358 2.824 ( -0.260 -3.819 -1.244) 4.025 2.917 ( 2.001 -1.451 -3.559) 4.333 2.939 ( 5.923 -0.429 -2.076) 6.291 3.016 ( 6.676 -4.322 1.824) 8.160 3.104 ( 7.466 0.292 -1.410) 7.604 3.146 ( 6.584 -2.630 -1.286) 7.206 3.259 ( 0.936 3.167 -6.661) 7.435 3.294 ( 1.148 0.305 -6.647) 6.752 3.365 ( 1.576 0.904 -1.118) 2.133 3.387 ( 2.462 -0.986 -1.473) 3.033 3.597 ( 0.690 5.835 3.040) 6.615 3.705 ( 1.367 -4.622 2.209) 5.302 3.818 ( 1.100 2.017 3.346) 4.059 3.854 ( 0.882 -1.355 4.611) 4.886 4.166 ( 1.059 1.754 2.285) 3.069 4.194 ( -0.297 -0.958 2.393) 2.595 4.457 ( -2.565 0.893 -1.877) 3.301 4.476 ( -2.484 -0.817 -1.795) 3.172 4.877 ( -2.824 5.115 3.041) 6.587 5.006 ( -1.114 -7.075 2.410) 7.557 5.186 ( 0.606 2.091 -0.773) 2.310 5.218 ( -0.960 -0.972 -0.269) 1.392 5.283 ( -2.416 0.025 0.858) 2.564 5.289 ( -3.531 -0.472 0.164) 3.566 5.423 ( -4.322 0.478 -1.310) 4.542 5.435 ( -3.306 -0.510 -1.499) 3.666 5.483 ( -2.015 1.683 0.026) 2.626 5.510 ( -1.982 -0.657 -1.963) 2.866 5.593 ( -2.762 0.970 1.236) 3.177 5.611 ( -0.932 -0.452 2.305) 2.527 5.809 ( 0.884 1.389 -3.188) 3.588 5.840 ( 0.394 -1.392 -4.708) 4.925 5.950 ( -1.478 0.845 -2.612) 3.118 5.981 ( -2.786 -1.802 -3.738) 4.998 6.069 ( 3.268 3.155 0.984) 4.648 6.143 ( 3.284 -3.934 0.737) 5.177 6.244 ( 5.075 1.061 -0.369) 5.198 6.253 ( 3.637 0.252 -0.112) 3.648 8.261 ( 0.476 2.255 -0.497) 2.357 8.313 ( -0.018 -2.512 -0.766) 2.627 8.456 ( 4.922 1.552 -4.206) 6.658 8.486 ( 5.266 -1.153 -3.534) 6.446 8.781 ( -0.665 2.586 4.907) 5.586 8.846 ( 0.075 -3.465 4.198) 5.444 9.129 ( 3.093 1.224 -2.749) 4.315 9.147 ( 3.013 -0.359 -2.784) 4.118 9.443 ( 2.323 0.773 1.373) 2.807 9.461 ( 2.278 -0.967 0.966) 2.656 9.496 ( 1.073 1.178 0.205) 1.606 9.520 ( 0.702 -1.065 -0.316) 1.314 9.745 ( 0.259 0.640 2.439) 2.535 9.762 ( 0.734 -0.777 2.068) 2.328 9.864 ( -1.690 4.148 3.462) 5.661 9.968 ( -2.752 -5.967 2.453) 7.014 10.161 ( -0.483 1.119 -4.922) 5.071 10.171 ( -0.595 0.637 -3.071) 3.192 10.353 ( -4.739 0.790 -2.158) 5.267 10.370 ( -4.227 -0.511 -2.667) 5.024 ======================= Grid point 75 (45/84) ======================= q-point: ( 0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 6.578 -1.318 7.504) 10.065 1.322 ( 7.665 -3.622 5.449) 10.078 1.430 ( 6.173 0.720 6.480) 8.979 1.449 ( 5.948 -1.256 5.427) 8.149 1.594 ( 7.237 4.703 1.964) 8.852 1.669 ( 7.593 -1.918 3.404) 8.539 1.724 ( 10.024 3.393 0.611) 10.600 1.753 ( 11.981 0.654 1.698) 12.119 1.812 ( 2.879 4.693 0.927) 5.583 1.923 ( 3.466 -2.161 3.546) 5.409 1.971 ( 2.217 -4.120 -4.845) 6.735 1.974 ( 0.810 -2.408 -2.130) 3.316 2.023 ( 4.763 2.102 -4.290) 6.746 2.085 ( 4.173 -1.308 -4.415) 6.214 2.131 ( 3.336 1.691 -3.375) 5.038 2.169 ( 2.651 -2.715 -2.000) 4.290 2.319 ( 4.240 2.910 1.286) 5.301 2.381 ( 7.028 -2.392 1.007) 7.491 2.420 ( 2.173 1.917 3.959) 4.907 2.490 ( 1.009 -3.553 4.438) 5.774 2.588 ( 5.138 5.531 -0.661) 7.578 2.643 ( 3.234 3.219 0.128) 4.565 2.731 ( 5.800 0.051 -4.395) 7.277 2.779 ( 7.605 -2.527 -2.550) 8.410 2.838 ( 7.476 -1.110 2.300) 7.900 2.858 ( 10.849 -0.480 0.333) 10.865 2.887 ( 6.254 -1.198 1.675) 6.585 2.946 ( 6.445 -3.804 -3.352) 8.200 3.086 ( 10.731 3.315 -0.923) 11.270 3.138 ( 3.735 -0.502 -1.844) 4.196 3.189 ( 8.607 0.019 -4.841) 9.875 3.207 ( 7.846 -0.185 -3.371) 8.542 3.317 ( 8.811 1.952 0.673) 9.050 3.372 ( 11.216 -1.530 -1.853) 11.470 3.432 ( 3.531 1.157 2.113) 4.274 3.466 ( 5.467 -1.036 1.527) 5.770 3.687 ( 6.716 3.452 4.261) 8.671 3.764 ( 4.410 -3.784 2.005) 6.147 3.855 ( 0.284 2.281 2.683) 3.534 3.900 ( 0.382 -1.979 2.844) 3.486 4.187 ( -0.251 0.078 1.524) 1.546 4.192 ( -0.989 -0.313 0.443) 1.128 4.383 ( -1.931 0.811 -5.038) 5.456 4.399 ( -2.930 -0.695 -3.777) 4.830 4.892 ( 0.142 5.917 4.117) 7.210 5.022 ( -0.580 -6.267 2.678) 6.839 5.156 ( -4.141 1.062 -0.348) 4.290 5.170 ( -4.169 -0.429 -0.435) 4.214 5.236 ( -2.838 1.803 0.945) 3.493 5.251 ( -5.011 0.402 1.662) 5.295 5.301 ( -7.475 -0.885 -0.316) 7.534 5.320 ( -7.764 -2.007 -0.603) 8.042 5.429 ( -2.381 0.935 -1.719) 3.082 5.444 ( -2.050 -0.589 -3.096) 3.759 5.587 ( -0.458 2.270 2.005) 3.063 5.628 ( -0.029 -1.544 1.901) 2.449 5.796 ( 0.922 0.272 -2.165) 2.369 5.802 ( 0.422 -0.273 -3.966) 3.998 5.913 ( -0.090 0.617 -1.484) 1.610 5.930 ( -0.185 -0.823 -1.689) 1.888 6.135 ( 2.406 2.665 1.639) 3.946 6.195 ( 1.461 -2.929 0.473) 3.307 6.313 ( 3.306 0.794 -0.416) 3.426 6.324 ( 4.404 -0.313 -1.016) 4.531 8.277 ( 1.751 1.803 -0.324) 2.534 8.321 ( 1.445 -2.237 -0.324) 2.683 8.482 ( 2.257 1.838 -2.949) 4.143 8.518 ( 2.137 -1.501 -2.718) 3.769 8.825 ( 0.997 2.589 3.553) 4.508 8.885 ( 0.472 -2.966 2.821) 4.121 9.163 ( 3.520 0.919 -2.943) 4.679 9.176 ( 3.350 -0.353 -3.072) 4.559 9.509 ( 3.596 0.677 1.445) 3.935 9.520 ( 2.717 -0.137 0.857) 2.852 9.535 ( 3.271 -0.139 0.277) 3.286 9.544 ( 2.495 -0.611 -0.185) 2.575 9.758 ( -0.600 0.963 1.040) 1.539 9.783 ( -0.123 -1.263 1.107) 1.684 9.857 ( -2.056 3.231 2.940) 4.828 9.932 ( -3.407 -3.739 1.765) 5.357 10.114 ( -0.877 1.320 -2.907) 3.311 10.140 ( -0.680 -0.463 -1.378) 1.605 10.261 ( -3.937 0.604 -1.290) 4.187 10.277 ( -4.028 -0.491 -1.376) 4.285 ======================= Grid point 76 (46/84) ======================= q-point: ( 0.30 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 3.702 -2.078 1.291) 4.437 1.448 ( 4.438 -3.568 -0.681) 5.735 1.587 ( 7.286 2.164 3.571) 8.398 1.623 ( 6.519 -1.199 4.178) 7.835 1.710 ( 3.659 6.153 3.421) 7.934 1.782 ( 3.833 -0.315 1.541) 4.143 1.834 ( 5.113 3.200 -2.548) 6.548 1.884 ( 6.239 0.047 -2.586) 6.754 1.929 ( 2.830 -1.887 -2.223) 4.063 1.947 ( 2.779 -4.986 -6.464) 8.624 1.990 ( 3.133 0.123 0.205) 3.142 2.007 ( 2.922 -0.546 2.850) 4.118 2.093 ( 2.696 2.262 -3.621) 5.049 2.105 ( 4.115 0.442 -0.705) 4.199 2.159 ( 3.202 1.595 -2.259) 4.231 2.196 ( 2.693 -1.173 -1.971) 3.537 2.355 ( -0.630 2.675 1.667) 3.214 2.450 ( -0.427 -4.822 2.629) 5.508 2.542 ( 4.511 0.736 5.732) 7.331 2.570 ( 4.580 -1.979 5.878) 7.710 2.672 ( 3.701 2.363 1.763) 4.732 2.692 ( 3.914 2.110 -1.427) 4.670 2.789 ( 6.243 0.204 -6.196) 8.798 2.842 ( 4.150 -2.818 -3.482) 6.107 2.937 ( 3.362 0.444 1.894) 3.884 2.995 ( 5.098 -3.943 -0.956) 6.516 3.108 ( 8.054 1.979 -0.097) 8.294 3.120 ( 11.010 0.939 -1.159) 11.111 3.220 ( 12.257 1.704 3.166) 12.774 3.248 ( 12.376 0.544 0.635) 12.405 3.380 ( 11.390 0.533 -1.469) 11.497 3.401 ( 15.615 -0.847 -2.106) 15.779 3.506 ( 11.597 0.688 -2.071) 11.801 3.517 ( 8.514 0.104 -0.663) 8.541 3.552 ( 9.286 1.050 1.412) 9.451 3.596 ( 8.040 -3.392 1.750) 8.900 3.835 ( 6.406 3.892 -1.686) 7.683 3.887 ( 2.856 -0.179 0.580) 2.920 3.922 ( 4.527 0.179 1.325) 4.721 3.953 ( 8.580 -1.437 6.243) 10.707 4.181 ( -0.225 -0.331 0.065) 0.405 4.202 ( -0.662 -2.283 4.050) 4.696 4.321 ( 1.221 0.173 -6.376) 6.495 4.327 ( -0.023 -0.308 -4.987) 4.996 4.911 ( -3.252 3.774 2.762) 5.696 4.975 ( -7.709 -2.219 0.108) 8.023 5.051 ( -7.991 0.539 -0.468) 8.023 5.060 ( -8.316 -0.424 -0.491) 8.341 5.112 ( -9.224 1.937 0.908) 9.469 5.156 ( -6.930 0.917 0.614) 7.017 5.174 ( -7.623 -1.267 1.004) 7.792 5.209 ( -6.556 -1.528 0.671) 6.765 5.402 ( 1.179 0.572 -1.430) 1.939 5.421 ( 2.617 -1.139 -2.022) 3.498 5.595 ( -0.699 1.203 1.426) 1.992 5.626 ( -0.881 -1.570 -0.411) 1.847 5.807 ( 2.662 1.198 0.946) 3.069 5.828 ( 2.565 -0.814 2.332) 3.561 5.920 ( 1.201 0.685 0.478) 1.463 5.935 ( 1.371 -0.658 0.405) 1.574 6.173 ( 0.602 1.015 0.677) 1.360 6.197 ( -0.553 -1.144 -1.793) 2.198 6.346 ( 1.692 1.608 -1.806) 2.951 6.379 ( 2.398 -1.408 -0.231) 2.791 8.313 ( 2.212 1.544 0.299) 2.714 8.352 ( 1.918 -2.134 0.369) 2.893 8.490 ( 1.221 1.870 -1.656) 2.780 8.524 ( 1.032 -1.307 -1.702) 2.381 8.867 ( 0.750 1.771 2.115) 2.859 8.908 ( -0.262 -1.975 1.815) 2.695 9.190 ( 2.892 0.795 -3.657) 4.729 9.204 ( 3.145 -0.484 -3.504) 4.734 9.568 ( 2.384 0.186 0.312) 2.412 9.573 ( 2.597 -0.291 0.614) 2.684 9.599 ( 4.221 0.714 0.790) 4.353 9.616 ( 4.542 -0.775 0.645) 4.652 9.745 ( -1.176 0.917 -0.325) 1.527 9.771 ( -1.469 -1.462 -0.798) 2.221 9.853 ( -1.972 1.821 3.803) 4.655 9.887 ( -3.608 -1.122 1.919) 4.238 10.080 ( -0.668 1.253 -1.468) 2.043 10.119 ( -0.571 -1.927 -1.240) 2.361 10.196 ( -2.565 1.011 -0.275) 2.771 10.214 ( -2.291 -0.386 -0.404) 2.358 ======================= Grid point 77 (47/84) ======================= q-point: ( 0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -2.608 -1.572 -1.686) 3.481 1.465 ( -0.695 -3.776 -2.933) 4.831 1.678 ( 0.953 3.672 -3.025) 4.851 1.706 ( 0.809 5.856 -0.095) 5.913 1.739 ( 0.139 -0.185 -0.097) 0.251 1.821 ( -1.654 -3.598 -3.278) 5.141 1.869 ( 1.316 0.270 -2.328) 2.688 1.913 ( 1.423 -2.783 -4.508) 5.486 1.961 ( 5.723 -0.218 -3.261) 6.590 1.981 ( 5.366 -1.250 0.292) 5.517 2.054 ( 0.793 3.211 -1.449) 3.611 2.075 ( 2.438 0.781 -0.846) 2.697 2.107 ( 3.133 2.331 3.528) 5.263 2.150 ( 2.216 -0.224 -0.670) 2.326 2.200 ( 2.225 1.108 1.348) 2.828 2.233 ( 3.473 -0.977 -1.130) 3.781 2.384 ( 0.979 0.824 5.320) 5.471 2.463 ( -0.151 -5.371 3.497) 6.410 2.615 ( -0.375 1.144 2.062) 2.388 2.647 ( 0.351 -1.669 0.268) 1.726 2.758 ( 2.708 1.268 4.328) 5.260 2.793 ( 3.509 -1.503 4.809) 6.140 2.859 ( 7.519 1.471 -1.864) 7.885 2.889 ( 5.022 -1.032 -2.752) 5.818 3.006 ( 2.478 1.902 2.119) 3.774 3.069 ( 3.467 -3.404 0.678) 4.906 3.174 ( 2.015 3.674 0.877) 4.281 3.219 ( 3.382 -0.108 0.213) 3.390 3.419 ( 2.005 0.632 2.114) 2.982 3.449 ( 3.399 -1.894 0.076) 3.892 3.536 ( 11.856 3.232 -0.790) 12.314 3.594 ( 8.806 -2.105 -1.493) 9.177 3.701 ( 8.413 1.154 -0.628) 8.515 3.728 ( 8.292 -1.337 -1.212) 8.486 3.758 ( 16.242 0.223 -2.623) 16.454 3.769 ( 16.973 -0.943 -2.188) 17.139 3.892 ( 4.413 1.292 -1.780) 4.931 3.911 ( 3.127 -0.474 -1.387) 3.453 4.060 ( 7.715 5.058 -0.047) 9.225 4.164 ( 2.758 2.267 7.671) 8.461 4.179 ( 2.156 -4.545 -1.075) 5.144 4.232 ( 0.228 -2.745 3.328) 4.320 4.309 ( 2.822 1.170 -2.497) 3.945 4.344 ( 4.572 -2.267 -2.685) 5.766 4.793 ( -9.341 0.363 -1.334) 9.443 4.800 ( -9.449 -0.247 -2.207) 9.706 4.894 ( -8.836 0.252 0.691) 8.866 4.911 ( -6.882 -1.476 0.559) 7.060 4.963 ( -9.349 3.114 0.922) 9.898 5.026 ( -9.250 -2.459 0.171) 9.573 5.055 ( -5.634 3.389 0.198) 6.578 5.103 ( -5.468 -1.428 -0.425) 5.668 5.432 ( 2.414 1.984 -0.076) 3.125 5.476 ( 3.775 -1.854 -0.164) 4.209 5.593 ( -0.281 0.057 0.851) 0.898 5.608 ( -0.231 -0.988 -0.465) 1.116 5.892 ( 3.230 0.635 3.294) 4.657 5.904 ( 2.338 -0.516 3.446) 4.196 5.959 ( 1.774 1.447 2.111) 3.114 5.986 ( 2.863 -0.942 2.897) 4.181 6.150 ( -1.633 0.434 -3.326) 3.731 6.170 ( -0.610 -1.559 -0.488) 1.743 6.346 ( 0.530 3.020 -1.904) 3.609 6.401 ( 0.395 -2.135 -0.200) 2.181 8.353 ( 1.687 1.301 0.781) 2.269 8.387 ( 1.370 -1.953 0.798) 2.516 8.495 ( 0.705 1.809 -1.091) 2.228 8.526 ( 0.629 -1.133 -1.125) 1.716 8.888 ( -0.122 0.911 1.390) 1.666 8.910 ( -1.133 -1.094 1.404) 2.110 9.196 ( 1.871 1.053 -4.145) 4.668 9.216 ( 2.235 -0.845 -4.197) 4.830 9.609 ( 1.816 0.133 0.523) 1.895 9.613 ( 1.265 -0.236 0.424) 1.355 9.677 ( 3.357 1.024 0.866) 3.615 9.694 ( 3.053 -0.354 -0.126) 3.076 9.717 ( -0.608 -0.461 -0.391) 0.858 9.725 ( -2.419 -0.929 -1.299) 2.899 9.843 ( -2.838 1.056 2.115) 3.694 9.853 ( -2.412 0.207 3.192) 4.006 10.067 ( 0.211 0.606 -0.489) 0.807 10.093 ( -0.875 -1.715 -1.528) 2.458 10.176 ( -0.205 0.958 0.810) 1.271 10.190 ( -0.442 -0.330 0.173) 0.578 ======================= Grid point 78 (48/84) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -9.178 0.633 -1.869) 9.387 1.375 ( -6.367 -5.104 -2.443) 8.518 1.616 ( -6.826 6.379 -1.579) 9.475 1.633 ( -3.249 4.434 -3.291) 6.407 1.716 ( -4.908 -3.408 -3.931) 7.152 1.722 ( -3.463 -3.819 -4.030) 6.544 1.852 ( 0.456 0.046 -4.183) 4.208 1.886 ( 0.712 -2.769 -3.406) 4.447 1.991 ( -3.184 0.945 -0.959) 3.457 2.004 ( -2.741 -0.471 -0.229) 2.790 2.051 ( 1.017 3.774 -1.992) 4.387 2.066 ( 0.731 2.278 -1.064) 2.618 2.183 ( 0.936 2.125 4.118) 4.728 2.234 ( 0.149 -2.155 3.185) 3.849 2.269 ( 6.883 0.795 1.924) 7.191 2.310 ( 5.285 -2.596 0.341) 5.898 2.467 ( 2.280 0.618 5.204) 5.715 2.513 ( 2.011 -3.434 3.464) 5.276 2.599 ( -1.262 1.455 -0.813) 2.090 2.638 ( 0.189 -2.260 -1.652) 2.806 2.807 ( 0.656 1.206 0.487) 1.457 2.849 ( 0.247 -2.203 2.072) 3.034 2.959 ( 1.227 1.962 3.770) 4.424 2.983 ( 2.869 0.298 4.919) 5.702 3.064 ( 2.669 1.721 1.672) 3.589 3.118 ( 0.580 -2.524 1.645) 3.068 3.198 ( 0.205 3.296 0.335) 3.319 3.268 ( 0.464 -2.066 2.214) 3.063 3.401 ( -3.247 2.880 -0.717) 4.399 3.463 ( 0.015 -2.832 -0.847) 2.956 3.621 ( -0.546 1.720 -2.394) 2.998 3.647 ( 1.954 -0.650 -3.490) 4.053 3.789 ( 3.812 0.424 -4.815) 6.156 3.807 ( 3.248 -0.982 -3.431) 4.826 3.855 ( -2.963 1.775 -0.483) 3.488 3.887 ( -3.162 -1.133 0.166) 3.363 3.993 ( -1.143 -0.229 0.082) 1.169 4.011 ( 0.369 -1.602 -0.056) 1.645 4.119 ( -3.270 2.020 1.774) 4.234 4.160 ( -2.426 -1.156 1.225) 2.953 4.216 ( -0.170 3.098 4.564) 5.519 4.277 ( 2.263 -2.585 2.479) 4.237 4.361 ( 2.876 0.995 -0.467) 3.079 4.390 ( 3.995 -1.501 -1.323) 4.468 4.683 ( 0.951 0.411 -2.679) 2.872 4.688 ( 1.140 0.074 -2.656) 2.891 4.806 ( -1.909 0.873 -0.043) 2.100 4.828 ( -4.880 -0.753 0.263) 4.945 4.878 ( 1.904 1.300 1.248) 2.622 4.924 ( 0.333 -1.644 0.155) 1.685 4.988 ( -0.684 1.319 -0.195) 1.498 5.024 ( -2.374 -1.465 -0.845) 2.915 5.468 ( 1.313 1.995 0.588) 2.460 5.515 ( 0.423 -2.294 -0.129) 2.337 5.612 ( 1.616 0.574 1.486) 2.269 5.621 ( 0.807 -0.114 2.203) 2.349 5.939 ( 0.039 0.417 0.632) 0.758 5.952 ( 0.644 -0.582 1.192) 1.475 5.972 ( -1.525 1.523 -2.680) 3.439 6.000 ( -1.981 -1.094 -5.384) 5.840 6.174 ( 3.825 0.167 6.363) 7.426 6.187 ( 2.105 -1.235 4.006) 4.691 6.339 ( 0.440 2.945 -0.986) 3.136 6.392 ( -0.893 -2.086 -0.489) 2.321 8.380 ( 0.469 1.059 0.779) 1.396 8.408 ( 0.258 -1.755 0.650) 1.889 8.493 ( 0.084 1.847 -1.107) 2.155 8.523 ( 0.125 -1.106 -1.128) 1.585 8.891 ( -0.865 0.122 1.363) 1.619 8.896 ( -1.945 -0.329 1.637) 2.563 9.183 ( 1.079 1.223 -4.259) 4.561 9.207 ( 1.328 -1.032 -4.526) 4.828 9.615 ( -1.622 0.688 0.769) 1.922 9.634 ( -0.927 -1.104 0.784) 1.641 9.663 ( -1.517 0.112 -0.934) 1.785 9.667 ( -2.012 -0.205 -1.109) 2.306 9.740 ( 1.861 0.895 1.126) 2.352 9.755 ( 0.667 -0.488 1.020) 1.312 9.824 ( -0.560 0.611 1.120) 1.393 9.835 ( -2.240 -0.286 1.653) 2.799 10.071 ( -0.118 0.254 -0.895) 0.937 10.081 ( 1.709 -0.690 0.018) 1.843 10.196 ( 1.562 0.387 0.734) 1.769 10.202 ( 1.488 -0.198 0.351) 1.542 ======================= Grid point 79 (49/84) ======================= q-point: (-0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -13.105 2.906 2.769) 13.706 1.223 ( -9.885 -7.187 1.096) 12.270 1.426 ( -14.239 5.350 0.279) 15.214 1.521 ( -8.072 0.228 -3.156) 8.670 1.566 ( -6.955 -0.518 -0.707) 7.010 1.634 ( -2.748 -3.303 -2.895) 5.181 1.788 ( -3.507 2.754 -4.724) 6.496 1.856 ( -2.935 -3.445 -4.017) 6.052 1.915 ( -2.491 1.148 -0.603) 2.808 1.941 ( -3.429 -0.950 1.212) 3.759 2.030 ( -1.151 3.324 -1.572) 3.853 2.062 ( -1.503 0.796 0.465) 1.763 2.195 ( -2.700 2.184 1.233) 3.685 2.238 ( -1.299 -1.835 0.837) 2.399 2.346 ( -1.162 0.694 0.866) 1.607 2.383 ( 0.577 -2.463 1.930) 3.182 2.528 ( 1.553 1.966 0.720) 2.607 2.570 ( 0.507 -0.310 -0.100) 0.602 2.594 ( 1.584 -0.426 1.968) 2.562 2.634 ( 0.349 -2.568 -0.555) 2.650 2.812 ( 0.128 1.289 0.933) 1.596 2.853 ( -1.373 -2.825 1.202) 3.363 2.959 ( -5.321 2.892 5.002) 7.854 3.017 ( -4.045 -0.856 3.525) 5.433 3.107 ( -1.186 1.073 0.788) 1.783 3.122 ( 0.182 -1.644 0.280) 1.677 3.193 ( -1.779 2.386 0.094) 2.978 3.251 ( -4.185 -2.524 2.492) 5.486 3.338 ( -2.454 5.293 0.077) 5.835 3.431 ( -3.391 -3.795 -0.670) 5.133 3.560 ( -4.314 2.424 -1.587) 5.197 3.589 ( -11.335 -0.565 -1.051) 11.398 3.666 ( -5.990 1.078 -2.246) 6.488 3.705 ( -12.615 -2.327 -1.302) 12.894 3.779 ( -5.292 0.163 -6.044) 8.035 3.797 ( -9.467 -1.248 -3.858) 10.299 3.828 ( -6.821 0.798 -0.393) 6.878 3.872 ( -10.862 -3.156 -0.691) 11.332 3.959 ( -13.612 2.338 2.215) 13.988 4.014 ( -12.882 -2.324 2.409) 13.310 4.277 ( -0.146 5.768 2.729) 6.383 4.323 ( -1.809 0.666 4.592) 4.980 4.402 ( -0.007 -0.335 -0.033) 0.337 4.440 ( 0.832 -3.295 -1.699) 3.799 4.754 ( 4.911 0.234 -3.930) 6.294 4.759 ( 8.228 -0.322 -3.395) 8.906 4.833 ( 9.333 2.119 1.360) 9.667 4.869 ( 9.829 -1.090 0.988) 9.938 4.994 ( 7.196 2.248 0.188) 7.541 5.020 ( 8.161 -0.551 0.888) 8.228 5.030 ( 4.971 -0.651 -0.014) 5.014 5.058 ( 6.663 -1.949 1.371) 7.076 5.486 ( 0.105 0.350 0.517) 0.633 5.507 ( -0.198 -1.241 -0.484) 1.346 5.662 ( 0.849 0.644 3.657) 3.809 5.668 ( 0.969 0.108 4.289) 4.398 5.855 ( -4.364 0.705 -7.304) 8.538 5.873 ( -3.831 -0.966 -5.940) 7.134 5.951 ( -0.415 0.356 -1.970) 2.045 5.959 ( -0.366 -0.338 -0.546) 0.739 6.245 ( 0.158 3.070 3.468) 4.634 6.310 ( 1.779 -3.009 4.442) 5.652 6.363 ( 2.489 0.726 1.654) 3.075 6.376 ( 0.886 -0.416 1.124) 1.491 8.380 ( -1.043 0.852 0.403) 1.405 8.404 ( -1.066 -1.514 -0.179) 1.860 8.477 ( -0.721 1.782 -1.082) 2.206 8.506 ( -0.727 -1.066 -1.574) 2.035 8.872 ( -2.630 0.551 2.116) 3.420 8.887 ( -1.267 -0.860 1.888) 2.431 9.160 ( 0.598 1.256 -4.008) 4.243 9.184 ( 0.714 -1.033 -4.388) 4.565 9.572 ( -3.801 0.258 0.819) 3.897 9.582 ( -3.927 -0.352 0.869) 4.037 9.630 ( -1.627 1.009 -0.058) 1.916 9.659 ( -0.853 -1.481 1.105) 2.035 9.744 ( -2.098 1.213 0.570) 2.490 9.762 ( -0.566 -0.265 1.209) 1.360 9.804 ( -1.903 1.186 -0.132) 2.246 9.840 ( 0.672 -2.006 0.484) 2.170 10.079 ( 1.663 2.518 0.027) 3.017 10.130 ( 3.742 -2.238 0.175) 4.363 10.238 ( 2.773 0.214 0.023) 2.781 10.242 ( 2.897 -0.016 -0.092) 2.898 ======================= Grid point 80 (50/84) ======================= q-point: (-0.30 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -13.720 3.239 11.423) 18.144 1.074 ( -10.791 -8.749 5.855) 15.075 1.162 ( -16.799 6.691 3.936) 18.506 1.318 ( -12.642 -8.361 2.324) 15.334 1.478 ( -4.872 5.295 0.443) 7.209 1.559 ( -4.862 -1.794 -1.307) 5.344 1.655 ( -7.612 2.981 -3.001) 8.708 1.722 ( -6.822 -1.196 -2.137) 7.248 1.887 ( -0.849 0.659 -0.150) 1.085 1.918 ( -1.812 -1.596 2.480) 3.461 1.993 ( -2.730 2.664 0.527) 3.851 2.031 ( -2.654 -0.268 0.871) 2.806 2.116 ( -6.035 4.554 -0.334) 7.568 2.201 ( -3.161 -3.348 -1.383) 4.808 2.276 ( -5.724 2.059 0.271) 6.089 2.341 ( -5.359 -3.657 0.482) 6.506 2.519 ( -2.777 2.201 -1.527) 3.858 2.551 ( -3.877 -0.382 -0.429) 3.920 2.605 ( -1.140 0.223 0.056) 1.163 2.620 ( -1.659 -0.427 -1.437) 2.236 2.819 ( -2.827 1.166 -0.500) 3.099 2.832 ( -1.282 -1.014 1.566) 2.264 2.889 ( -8.009 -2.745 3.803) 9.282 2.917 ( -6.416 -3.020 -0.025) 7.092 3.062 ( -5.981 1.747 -1.348) 6.375 3.067 ( -5.400 1.343 -0.341) 5.575 3.132 ( -3.052 1.942 0.706) 3.686 3.192 ( -7.206 -2.730 1.875) 7.930 3.286 ( -16.031 1.273 -0.633) 16.094 3.317 ( -1.171 5.167 -0.519) 5.323 3.334 ( -12.982 -1.514 -1.135) 13.119 3.401 ( -5.933 -2.145 0.456) 6.326 3.460 ( -17.702 2.541 -1.012) 17.912 3.550 ( -14.502 -6.326 -1.707) 15.913 3.571 ( -4.320 0.887 0.745) 4.473 3.593 ( -5.209 -0.803 0.698) 5.317 3.722 ( -6.481 2.648 -2.439) 7.414 3.742 ( -3.136 1.104 -3.177) 4.599 3.795 ( -4.363 0.022 -2.643) 5.102 3.831 ( -9.003 -2.719 0.239) 9.408 4.237 ( -3.680 3.900 -2.921) 6.106 4.298 ( -6.200 -1.866 0.279) 6.481 4.397 ( -0.981 0.041 0.718) 1.217 4.400 ( -0.470 -0.268 3.047) 3.095 4.816 ( 4.594 3.718 0.408) 5.925 4.901 ( 8.800 -4.119 -0.204) 9.718 5.025 ( 8.692 1.434 0.456) 8.821 5.062 ( 8.923 -1.869 0.844) 9.155 5.120 ( 6.213 1.211 -0.034) 6.330 5.132 ( 8.278 0.316 1.000) 8.344 5.190 ( 7.680 0.412 0.427) 7.703 5.208 ( 9.667 -1.239 0.649) 9.768 5.482 ( -0.264 0.859 -0.753) 1.173 5.509 ( 1.107 -0.905 -1.280) 1.919 5.690 ( -2.112 0.646 3.019) 3.740 5.711 ( -1.791 -0.931 4.299) 4.750 5.737 ( -1.309 0.695 -3.818) 4.095 5.760 ( -2.405 -1.654 -4.791) 5.610 5.927 ( 0.355 1.016 -2.226) 2.473 5.943 ( -0.139 -0.551 -1.267) 1.388 6.241 ( -1.967 2.469 -0.100) 3.159 6.286 ( -3.328 -1.685 -1.146) 3.903 6.417 ( 1.840 2.628 1.770) 3.664 6.474 ( 3.952 -2.639 3.384) 5.834 8.352 ( -2.363 0.621 -0.014) 2.443 8.367 ( -2.358 -0.835 -1.301) 2.819 8.451 ( -1.383 0.941 -0.602) 1.778 8.468 ( -1.882 -0.659 -2.023) 2.840 8.844 ( -3.084 1.471 2.705) 4.358 8.882 ( -1.416 -2.125 2.227) 3.388 9.134 ( 0.459 1.158 -3.518) 3.732 9.156 ( 0.355 -0.852 -3.931) 4.038 9.512 ( -3.609 0.839 0.846) 3.800 9.532 ( -3.352 -0.789 1.822) 3.896 9.606 ( -1.953 1.296 1.645) 2.863 9.642 ( -2.332 -1.882 1.233) 3.240 9.707 ( -2.209 1.808 0.208) 2.862 9.736 ( -2.384 -0.764 -0.925) 2.669 9.780 ( -1.260 2.434 1.212) 2.997 9.850 ( -0.313 -4.237 1.547) 4.521 10.128 ( 3.511 4.648 0.598) 5.856 10.208 ( 5.247 -3.033 -0.711) 6.102 10.282 ( 2.811 0.700 -1.286) 3.170 10.297 ( 3.789 -0.666 -0.968) 3.967 ======================= Grid point 81 (51/84) ======================= q-point: (-0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -16.265 2.421 11.197) 19.895 0.945 ( -11.075 -10.587 8.146) 17.352 1.024 ( -9.813 6.867 17.944) 21.574 1.183 ( -9.148 -8.428 10.433) 16.235 1.330 ( -12.141 5.602 -0.137) 13.371 1.431 ( -8.387 -1.496 1.223) 8.607 1.536 ( -4.172 7.439 4.663) 9.720 1.643 ( -3.845 -2.352 2.133) 4.986 1.852 ( -4.118 1.429 -0.608) 4.401 1.906 ( -3.809 -1.701 1.977) 4.616 1.949 ( -4.251 1.188 2.228) 4.945 1.980 ( -3.185 -1.113 4.803) 5.870 2.036 ( -1.923 3.470 -1.689) 4.312 2.102 ( -3.945 -2.326 -2.949) 5.447 2.204 ( -2.729 2.163 0.133) 3.485 2.271 ( -1.502 -3.667 -0.998) 4.087 2.406 ( -7.296 1.805 -2.580) 7.947 2.430 ( -6.733 -0.482 -3.129) 7.440 2.513 ( -6.449 2.081 -3.905) 7.821 2.578 ( -5.579 -3.238 -0.021) 6.451 2.699 ( -6.944 3.032 -2.295) 7.917 2.749 ( -7.954 -2.591 0.862) 8.410 2.789 ( -5.576 -1.893 -0.085) 5.890 2.823 ( -6.472 -3.138 -3.300) 7.913 2.913 ( -7.458 3.409 -1.649) 8.364 2.968 ( -6.316 2.441 -0.598) 6.797 2.975 ( -10.120 -0.254 -2.795) 10.502 3.045 ( -10.343 -3.301 -1.475) 10.957 3.076 ( -6.887 1.162 -3.248) 7.703 3.128 ( -6.573 -3.455 0.678) 7.457 3.196 ( -10.275 2.818 -0.072) 10.655 3.254 ( -10.580 0.114 0.225) 10.583 3.338 ( -0.633 2.133 2.786) 3.565 3.422 ( -0.153 -3.104 1.696) 3.541 3.528 ( -2.668 1.885 2.664) 4.215 3.549 ( -2.628 0.485 0.414) 2.704 3.621 ( -3.360 1.888 0.888) 3.955 3.664 ( -3.784 -1.577 -0.762) 4.170 3.717 ( -2.389 0.387 -3.464) 4.225 3.732 ( 0.229 -0.735 -3.569) 3.651 4.133 ( -2.781 0.966 -5.660) 6.379 4.154 ( -5.863 -0.937 -4.488) 7.442 4.427 ( 0.877 0.556 3.710) 3.852 4.439 ( 0.638 -0.490 4.274) 4.349 4.898 ( 2.338 5.044 3.502) 6.571 5.019 ( 3.037 -6.351 2.513) 7.475 5.161 ( 7.258 0.882 0.137) 7.313 5.178 ( 5.000 -0.526 -1.225) 5.175 5.202 ( 3.313 1.521 0.485) 3.678 5.229 ( 2.685 -0.964 0.294) 2.868 5.336 ( 8.121 0.530 -1.081) 8.210 5.351 ( 6.201 -0.958 -0.595) 6.303 5.456 ( -0.003 3.389 -3.368) 4.778 5.521 ( 1.843 -2.319 -3.058) 4.257 5.662 ( -1.136 -0.118 0.076) 1.145 5.683 ( 0.613 -1.533 -1.067) 1.966 5.732 ( -0.632 0.682 2.266) 2.450 5.742 ( -1.451 -0.183 3.950) 4.212 5.938 ( 1.693 0.222 0.579) 1.803 5.944 ( 1.038 -0.312 0.031) 1.084 6.178 ( -3.919 1.015 -2.737) 4.887 6.201 ( -4.130 -1.028 -2.955) 5.181 6.434 ( -0.909 5.203 -0.832) 5.347 6.535 ( 1.192 -4.260 -1.112) 4.561 8.304 ( -2.634 0.292 -0.315) 2.669 8.309 ( -2.495 -0.106 -1.198) 2.769 8.405 ( -3.202 0.741 -1.885) 3.789 8.421 ( -1.633 -0.650 -0.407) 1.804 8.814 ( -3.389 2.241 3.136) 5.133 8.875 ( -1.845 -3.547 2.220) 4.573 9.115 ( 0.756 0.871 -3.035) 3.246 9.129 ( 0.325 -0.476 -3.251) 3.302 9.468 ( -2.411 1.283 0.917) 2.880 9.494 ( -2.626 -0.955 0.756) 2.895 9.584 ( -2.847 1.526 0.976) 3.374 9.607 ( -2.419 -0.791 1.430) 2.919 9.681 ( -2.249 0.922 0.074) 2.432 9.685 ( -1.039 0.299 0.258) 1.112 9.780 ( -1.077 2.103 3.478) 4.205 9.869 ( -0.370 -6.531 4.622) 8.010 10.203 ( 4.715 5.854 -0.570) 7.538 10.272 ( 3.727 -1.083 -4.385) 5.856 10.321 ( 4.005 0.664 -1.714) 4.407 10.358 ( 4.936 -2.136 -1.273) 5.526 ======================= Grid point 82 (52/84) ======================= q-point: (-0.10 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -9.939 4.393 15.309) 18.773 0.872 ( -5.841 -11.815 10.584) 16.904 0.959 ( -13.229 8.893 11.743) 19.799 1.155 ( -7.374 -9.390 12.060) 16.970 1.275 ( -0.761 8.092 18.054) 19.799 1.402 ( 0.152 -1.109 8.833) 8.904 1.513 ( -5.480 3.971 4.027) 7.875 1.587 ( -4.935 -3.881 2.311) 6.691 1.755 ( -7.950 3.288 4.439) 9.681 1.831 ( -2.719 -3.967 4.251) 6.419 1.900 ( -2.320 4.630 -0.577) 5.211 1.957 ( -2.790 0.183 -2.306) 3.624 2.045 ( 1.369 -0.208 -0.365) 1.432 2.067 ( 2.046 -1.237 -3.445) 4.193 2.170 ( -1.844 1.841 -1.652) 3.086 2.218 ( -4.281 -1.469 -2.276) 5.066 2.299 ( -4.752 2.114 -3.257) 6.137 2.309 ( 0.681 -0.231 -2.978) 3.063 2.343 ( -6.448 0.392 -5.506) 8.488 2.412 ( -8.374 -3.601 -1.418) 9.225 2.579 ( -4.522 0.220 -3.680) 5.834 2.621 ( -6.369 -2.677 -5.527) 8.848 2.671 ( -5.136 0.164 0.414) 5.155 2.689 ( -4.563 -1.648 0.699) 4.902 2.803 ( -3.008 3.253 -1.635) 4.723 2.816 ( -4.812 3.784 -1.417) 6.284 2.904 ( -3.235 -2.458 -0.529) 4.098 2.921 ( -0.987 -2.053 -0.260) 2.293 2.985 ( -3.147 1.757 -1.643) 3.961 3.031 ( -3.755 -2.230 -0.103) 4.368 3.054 ( -5.556 0.175 -3.587) 6.616 3.092 ( -7.243 -2.185 0.309) 7.572 3.362 ( 1.356 3.904 -2.511) 4.836 3.442 ( -1.952 0.101 -4.783) 5.167 3.464 ( -0.423 1.508 0.336) 1.602 3.516 ( -2.197 -2.607 -1.854) 3.881 3.574 ( -4.251 2.606 2.792) 5.715 3.637 ( -1.028 -2.378 1.282) 2.890 3.699 ( 2.544 2.849 0.440) 3.845 3.743 ( 2.357 -1.473 0.172) 2.785 4.070 ( 0.377 0.904 -1.862) 2.104 4.083 ( 1.598 -0.326 -1.103) 1.968 4.474 ( 0.791 0.603 2.877) 3.044 4.486 ( 0.636 -0.509 3.245) 3.346 4.945 ( -0.807 3.930 3.251) 5.163 5.050 ( -1.651 -6.052 2.461) 6.738 5.190 ( 0.339 1.614 -2.128) 2.692 5.220 ( 0.786 -0.977 -1.417) 1.892 5.297 ( 4.265 0.014 2.120) 4.763 5.309 ( 5.106 -0.946 1.250) 5.341 5.390 ( 1.633 1.951 -2.587) 3.629 5.420 ( 2.554 -1.003 -1.979) 3.383 5.463 ( 3.577 2.987 -1.840) 5.010 5.522 ( 2.682 -2.564 -3.597) 5.168 5.659 ( -1.155 1.628 1.584) 2.548 5.696 ( 0.245 -1.666 -0.325) 1.715 5.756 ( 1.347 1.091 2.301) 2.881 5.774 ( 1.856 -0.364 3.174) 3.695 5.977 ( 1.248 0.275 2.014) 2.385 5.990 ( 2.109 -0.758 3.159) 3.873 6.067 ( -4.578 1.383 -3.533) 5.946 6.104 ( -2.461 -1.858 -4.163) 5.181 6.356 ( -5.499 5.266 -3.922) 8.564 6.461 ( -6.457 -4.656 -6.877) 10.520 8.277 ( 0.289 0.950 -0.124) 1.000 8.288 ( 1.531 -0.226 0.048) 1.548 8.339 ( -2.080 2.475 -0.664) 3.300 8.388 ( -1.357 -1.873 -0.986) 2.514 8.784 ( -3.628 2.464 3.862) 5.843 8.854 ( -3.108 -4.197 2.494) 5.787 9.106 ( 1.254 0.616 -3.070) 3.373 9.115 ( 1.184 -0.131 -2.402) 2.681 9.437 ( -2.357 1.209 0.006) 2.649 9.453 ( -1.658 0.115 0.095) 1.665 9.531 ( -3.082 1.745 -0.131) 3.544 9.570 ( -2.587 -1.810 -0.620) 3.217 9.669 ( -0.163 1.800 3.016) 3.516 9.695 ( 0.483 -0.753 1.864) 2.068 9.807 ( -0.521 3.221 5.480) 6.378 9.924 ( 0.456 -8.479 6.568) 10.735 10.242 ( 2.101 2.951 -5.162) 6.306 10.266 ( 1.757 0.561 -6.558) 6.812 10.401 ( 6.537 1.781 -1.662) 6.976 10.438 ( 5.193 -1.105 -2.738) 5.973 ======================= Grid point 93 (53/84) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 4.601 0.000 14.736) 15.437 1.221 ( 1.032 0.000 14.887) 14.923 1.304 ( 4.213 0.000 9.497) 10.389 1.387 ( 0.729 0.000 -1.897) 2.033 1.428 ( -7.466 0.000 -1.024) 7.536 1.468 ( -6.593 0.000 3.579) 7.502 1.544 ( 0.627 0.000 6.226) 6.258 1.601 ( -7.230 0.000 0.675) 7.262 1.744 ( 0.557 0.000 -3.150) 3.199 1.834 ( 1.357 0.000 0.145) 1.364 1.861 ( 4.554 0.000 -5.056) 6.805 1.906 ( -1.215 0.000 -1.754) 2.134 1.949 ( 2.326 0.000 -3.904) 4.544 1.988 ( 4.160 0.000 -1.032) 4.286 2.022 ( -2.287 0.000 -2.240) 3.201 2.112 ( -1.756 0.000 -6.351) 6.589 2.172 ( -0.870 0.000 2.615) 2.756 2.254 ( 3.476 0.000 4.440) 5.639 2.327 ( 1.634 0.000 -2.843) 3.279 2.430 ( -0.898 0.000 2.268) 2.439 2.539 ( -1.027 0.000 5.001) 5.106 2.541 ( 1.705 0.000 -0.281) 1.728 2.577 ( -0.872 0.000 1.470) 1.709 2.657 ( -1.453 0.000 -3.838) 4.104 2.678 ( -3.209 0.000 0.469) 3.243 2.746 ( 0.635 0.000 2.241) 2.330 2.848 ( 1.656 0.000 -6.261) 6.476 2.869 ( -3.229 0.000 -0.240) 3.238 2.954 ( -3.027 0.000 0.041) 3.027 2.984 ( 4.418 0.000 2.493) 5.073 3.007 ( 3.687 0.000 1.231) 3.887 3.130 ( -0.612 0.000 -1.457) 1.580 3.148 ( -0.916 0.000 -6.308) 6.374 3.173 ( -0.014 0.000 -6.877) 6.877 3.320 ( 1.405 0.000 -0.149) 1.413 3.402 ( -6.382 0.000 -1.980) 6.682 3.612 ( -2.118 0.000 6.633) 6.963 3.773 ( 0.707 0.000 3.324) 3.398 3.778 ( 2.757 0.000 1.960) 3.383 3.871 ( 3.856 0.000 0.633) 3.908 4.158 ( 0.620 0.000 6.172) 6.203 4.236 ( 1.655 0.000 3.963) 4.295 4.452 ( -0.744 0.000 -3.903) 3.974 4.479 ( -0.664 0.000 -4.343) 4.393 4.946 ( -4.977 0.000 3.047) 5.836 5.081 ( 1.721 0.000 -3.607) 3.997 5.155 ( -0.677 0.000 3.001) 3.076 5.239 ( 0.557 0.000 -0.184) 0.587 5.307 ( -0.102 0.000 0.498) 0.508 5.346 ( -2.281 0.000 -0.987) 2.485 5.412 ( 1.588 0.000 -1.762) 2.372 5.425 ( 1.386 0.000 -2.175) 2.579 5.476 ( 3.007 0.000 2.215) 3.735 5.513 ( -0.533 0.000 -0.023) 0.533 5.657 ( -0.640 0.000 1.385) 1.526 5.676 ( -3.199 0.000 0.124) 3.201 5.764 ( -0.294 0.000 -1.195) 1.230 5.808 ( -1.840 0.000 -3.950) 4.358 5.936 ( 4.841 0.000 1.486) 5.064 5.977 ( -4.135 0.000 -1.356) 4.351 6.067 ( 6.703 0.000 -2.814) 7.270 6.098 ( -9.046 0.000 -5.674) 10.678 6.185 ( 0.823 0.000 2.357) 2.497 6.204 ( 1.663 0.000 0.399) 1.710 8.244 ( -1.601 0.000 0.715) 1.753 8.311 ( 4.304 0.000 -2.671) 5.065 8.353 ( -2.135 0.000 -0.310) 2.157 8.369 ( 4.991 0.000 -0.783) 5.052 8.853 ( -3.318 0.000 5.193) 6.163 8.933 ( -1.143 0.000 3.185) 3.384 9.028 ( 2.817 0.000 -3.690) 4.642 9.071 ( 1.904 0.000 -3.097) 3.635 9.429 ( 0.423 0.000 1.990) 2.035 9.470 ( 0.213 0.000 0.535) 0.576 9.473 ( -0.858 0.000 0.303) 0.910 9.515 ( -0.457 0.000 -1.763) 1.821 9.773 ( 1.213 0.000 1.967) 2.311 9.777 ( -0.144 0.000 2.815) 2.819 9.879 ( -0.973 0.000 3.373) 3.510 10.049 ( -0.466 0.000 -5.369) 5.389 10.121 ( 0.421 0.000 -0.786) 0.892 10.151 ( -0.652 0.000 0.056) 0.654 10.370 ( -0.509 0.000 -2.424) 2.477 10.371 ( 0.017 0.000 -2.987) 2.987 ======================= Grid point 94 (54/84) ======================= q-point: ( 0.10 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 9.034 0.000 9.264) 12.940 1.317 ( 4.064 0.000 -0.637) 4.114 1.417 ( 5.387 0.000 3.167) 6.249 1.428 ( 2.065 0.000 2.464) 3.215 1.470 ( 3.156 0.000 8.370) 8.945 1.527 ( 12.650 0.000 5.388) 13.749 1.562 ( 1.850 0.000 1.873) 2.633 1.621 ( 3.148 0.000 4.117) 5.183 1.741 ( 3.352 0.000 -0.687) 3.422 1.870 ( 2.173 0.000 -5.640) 6.044 1.892 ( 4.136 0.000 0.671) 4.190 1.936 ( 0.414 0.000 -5.051) 5.068 1.950 ( 7.705 0.000 -3.917) 8.644 1.989 ( 0.026 0.000 -5.842) 5.842 2.018 ( 3.474 0.000 -2.688) 4.392 2.085 ( 2.048 0.000 -0.673) 2.155 2.232 ( 4.317 0.000 2.974) 5.243 2.294 ( 1.580 0.000 -1.450) 2.145 2.404 ( 6.841 0.000 2.811) 7.396 2.423 ( 0.342 0.000 -3.670) 3.686 2.552 ( 0.357 0.000 2.921) 2.943 2.570 ( 1.685 0.000 2.547) 3.054 2.620 ( 2.849 0.000 -4.673) 5.473 2.675 ( 4.111 0.000 1.754) 4.470 2.714 ( 7.048 0.000 3.915) 8.063 2.787 ( 4.123 0.000 -1.872) 4.529 2.848 ( 1.987 0.000 -1.607) 2.555 2.920 ( 6.627 0.000 3.675) 7.578 2.926 ( -0.194 0.000 1.455) 1.468 3.065 ( 5.066 0.000 -2.174) 5.513 3.073 ( 0.366 0.000 -5.297) 5.309 3.097 ( 0.410 0.000 -3.653) 3.676 3.152 ( 9.479 0.000 3.890) 10.246 3.179 ( 3.902 0.000 -4.460) 5.926 3.357 ( 2.893 0.000 -0.475) 2.932 3.424 ( 6.813 0.000 4.560) 8.198 3.647 ( 0.139 0.000 6.843) 6.844 3.796 ( -0.091 0.000 0.243) 0.259 3.821 ( 1.566 0.000 -0.150) 1.573 3.916 ( 2.095 0.000 -2.499) 3.261 4.208 ( -0.643 0.000 4.816) 4.859 4.255 ( -2.635 0.000 3.192) 4.139 4.377 ( -3.484 0.000 -3.733) 5.106 4.406 ( -2.284 0.000 -5.830) 6.262 4.908 ( -2.789 0.000 4.908) 5.644 5.096 ( 2.776 0.000 -2.271) 3.586 5.164 ( -1.538 0.000 2.467) 2.907 5.226 ( -1.911 0.000 -0.586) 1.998 5.288 ( -3.716 0.000 -0.187) 3.721 5.318 ( -0.334 0.000 1.969) 1.997 5.387 ( -2.401 0.000 -1.805) 3.004 5.390 ( -2.714 0.000 -2.091) 3.426 5.459 ( -3.870 0.000 -1.908) 4.315 5.495 ( -3.410 0.000 0.489) 3.445 5.618 ( -2.755 0.000 2.299) 3.588 5.666 ( -0.402 0.000 1.282) 1.344 5.761 ( -0.243 0.000 -2.658) 2.669 5.770 ( 1.510 0.000 1.004) 1.813 5.904 ( -1.799 0.000 -1.451) 2.311 5.948 ( -3.030 0.000 -1.063) 3.211 6.052 ( 5.273 0.000 0.533) 5.300 6.193 ( 8.530 0.000 -0.947) 8.582 6.208 ( 0.601 0.000 -0.658) 0.891 6.251 ( 2.934 0.000 -0.015) 2.935 8.236 ( 0.263 0.000 0.333) 0.424 8.329 ( -0.007 0.000 -0.267) 0.267 8.361 ( 4.378 0.000 -3.217) 5.433 8.444 ( 4.607 0.000 -2.277) 5.139 8.851 ( -1.732 0.000 4.611) 4.925 8.951 ( -0.355 0.000 3.046) 3.067 9.053 ( 3.557 0.000 -3.440) 4.949 9.081 ( 2.936 0.000 -3.951) 4.923 9.468 ( 2.016 0.000 1.624) 2.589 9.490 ( 1.669 0.000 0.487) 1.739 9.491 ( 2.341 0.000 0.783) 2.469 9.505 ( 1.184 0.000 -1.772) 2.131 9.782 ( -1.133 0.000 0.826) 1.402 9.805 ( 0.551 0.000 0.970) 1.115 9.889 ( -1.394 0.000 4.074) 4.306 9.992 ( -1.200 0.000 -4.101) 4.273 10.124 ( -0.344 0.000 0.893) 0.957 10.136 ( -0.572 0.000 -0.572) 0.809 10.309 ( -3.796 0.000 -1.134) 3.962 10.324 ( -3.057 0.000 -1.378) 3.353 ======================= Grid point 95 (55/84) ======================= q-point: ( 0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 3.622 0.000 -1.765) 4.030 1.419 ( 7.997 0.000 -0.233) 8.000 1.540 ( 2.245 0.000 6.765) 7.128 1.552 ( 5.201 0.000 2.442) 5.745 1.625 ( 8.354 0.000 -5.068) 9.771 1.631 ( 6.548 0.000 7.607) 10.037 1.705 ( 2.641 0.000 0.768) 2.750 1.770 ( 6.258 0.000 -0.289) 6.265 1.880 ( 4.064 0.000 -3.382) 5.287 1.897 ( 2.376 0.000 -6.387) 6.815 1.899 ( 8.502 0.000 3.087) 9.045 1.928 ( 1.668 0.000 -3.423) 3.808 1.998 ( 5.203 0.000 3.052) 6.032 1.999 ( 2.834 0.000 -6.223) 6.838 2.054 ( 4.032 0.000 -2.396) 4.690 2.131 ( 1.661 0.000 2.632) 3.112 2.339 ( 9.214 0.000 -3.519) 9.863 2.372 ( 4.240 0.000 2.998) 5.192 2.463 ( 8.536 0.000 -2.332) 8.848 2.560 ( 5.204 0.000 3.261) 6.141 2.590 ( 4.199 0.000 3.079) 5.207 2.600 ( 2.364 0.000 -1.255) 2.677 2.699 ( 5.629 0.000 0.599) 5.661 2.768 ( 3.596 0.000 1.153) 3.776 2.871 ( 5.918 0.000 0.502) 5.940 2.898 ( 9.922 0.000 0.497) 9.934 2.931 ( 9.697 0.000 1.140) 9.764 2.986 ( 5.027 0.000 0.400) 5.043 3.062 ( 5.074 0.000 2.862) 5.825 3.098 ( 3.270 0.000 0.564) 3.318 3.114 ( 10.604 0.000 -2.198) 10.830 3.172 ( 10.226 0.000 -3.053) 10.672 3.246 ( 9.343 0.000 -3.471) 9.967 3.367 ( 11.484 0.000 2.203) 11.694 3.466 ( 8.991 0.000 -0.534) 9.007 3.549 ( 0.241 0.000 7.282) 7.286 3.730 ( 0.883 0.000 -0.622) 1.080 3.834 ( 9.651 0.000 1.296) 9.737 3.838 ( 2.024 0.000 -2.322) 3.081 3.898 ( 0.327 0.000 -5.690) 5.700 4.205 ( -0.572 0.000 -4.339) 4.377 4.234 ( -2.793 0.000 4.404) 5.215 4.309 ( -2.367 0.000 -5.946) 6.399 4.316 ( -2.176 0.000 4.646) 5.130 4.935 ( -0.426 0.000 5.685) 5.701 5.114 ( 0.210 0.000 -1.428) 1.444 5.135 ( -3.807 0.000 0.811) 3.893 5.138 ( -7.075 0.000 -2.040) 7.363 5.231 ( -3.777 0.000 1.422) 4.036 5.262 ( -7.950 0.000 -0.487) 7.965 5.307 ( -4.941 0.000 -1.315) 5.113 5.337 ( -3.328 0.000 0.394) 3.351 5.379 ( -1.545 0.000 -2.677) 3.091 5.402 ( -4.291 0.000 -0.261) 4.298 5.620 ( -0.690 0.000 1.847) 1.972 5.653 ( -1.320 0.000 -0.466) 1.400 5.768 ( 2.006 0.000 2.470) 3.182 5.833 ( 2.786 0.000 3.969) 4.849 5.896 ( 1.215 0.000 0.109) 1.220 5.930 ( 0.550 0.000 0.717) 0.904 6.135 ( 3.268 0.000 -0.088) 3.269 6.197 ( -0.304 0.000 -1.099) 1.140 6.267 ( 2.008 0.000 -3.236) 3.808 6.336 ( 5.401 0.000 1.679) 5.656 8.260 ( 2.027 0.000 0.412) 2.069 8.349 ( 2.042 0.000 0.321) 2.067 8.401 ( 3.317 0.000 -2.714) 4.286 8.485 ( 2.662 0.000 -2.110) 3.397 8.873 ( -0.347 0.000 3.753) 3.769 8.966 ( -0.801 0.000 2.392) 2.522 9.083 ( 3.433 0.000 -3.727) 5.067 9.101 ( 3.681 0.000 -4.547) 5.851 9.520 ( 2.468 0.000 -1.332) 2.805 9.526 ( 3.279 0.000 0.547) 3.324 9.540 ( 3.051 0.000 0.802) 3.155 9.555 ( 3.882 0.000 0.845) 3.973 9.760 ( -1.443 0.000 -0.270) 1.468 9.802 ( -0.871 0.000 -0.738) 1.141 9.909 ( -1.286 0.000 5.154) 5.312 9.933 ( -2.088 0.000 -2.801) 3.493 10.119 ( -1.890 0.000 2.061) 2.797 10.128 ( 0.193 0.000 -0.498) 0.534 10.240 ( -3.063 0.000 -0.409) 3.090 10.250 ( -4.177 0.000 -0.641) 4.225 ======================= Grid point 96 (56/84) ======================= q-point: ( 0.30 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 4.693 0.000 -3.841) 6.064 1.558 ( 4.508 0.000 1.149) 4.652 1.581 ( -2.609 0.000 2.794) 3.823 1.602 ( 1.315 0.000 -1.366) 1.896 1.715 ( 1.309 0.000 -0.048) 1.310 1.740 ( 8.912 0.000 -7.032) 11.352 1.774 ( 6.759 0.000 -5.348) 8.618 1.819 ( 2.345 0.000 -1.176) 2.623 1.892 ( -0.678 0.000 -3.168) 3.240 1.908 ( 1.819 0.000 -3.712) 4.134 1.981 ( 3.072 0.000 -0.433) 3.103 1.986 ( 7.685 0.000 3.313) 8.369 1.996 ( 3.672 0.000 -1.662) 4.030 2.120 ( 5.197 0.000 -1.236) 5.341 2.142 ( 1.221 0.000 5.847) 5.973 2.192 ( 4.085 0.000 3.582) 5.433 2.452 ( 1.305 0.000 5.150) 5.313 2.497 ( 9.794 0.000 -4.647) 10.841 2.571 ( 5.075 0.000 -6.912) 8.576 2.575 ( -1.255 0.000 1.609) 2.041 2.682 ( 8.866 0.000 1.583) 9.007 2.770 ( 4.658 0.000 6.168) 7.729 2.801 ( 2.676 0.000 -1.473) 3.054 2.818 ( 4.968 0.000 7.649) 9.121 2.992 ( 7.545 0.000 -1.057) 7.618 3.039 ( 2.995 0.000 3.542) 4.639 3.040 ( 4.449 0.000 -0.060) 4.450 3.154 ( 5.158 0.000 1.935) 5.509 3.201 ( 17.021 0.000 -0.033) 17.021 3.285 ( 13.336 0.000 1.659) 13.439 3.370 ( 17.635 0.000 -1.827) 17.729 3.372 ( 15.284 0.000 0.214) 15.285 3.444 ( 14.990 0.000 -0.857) 15.015 3.515 ( 1.179 0.000 1.714) 2.080 3.614 ( 8.134 0.000 -2.306) 8.455 3.615 ( 3.157 0.000 1.824) 3.646 3.723 ( 5.186 0.000 -2.860) 5.923 3.839 ( 1.282 0.000 -6.434) 6.560 3.882 ( 5.652 0.000 -2.097) 6.029 4.077 ( 13.445 0.000 1.076) 13.488 4.162 ( 2.838 0.000 -6.531) 7.121 4.235 ( 0.668 0.000 -5.319) 5.361 4.252 ( -1.820 0.000 7.402) 7.622 4.358 ( 0.058 0.000 5.772) 5.773 4.942 ( -5.687 0.000 2.833) 6.354 4.961 ( -10.615 0.000 -2.598) 10.929 5.035 ( -7.405 0.000 -0.413) 7.416 5.052 ( -6.306 0.000 -0.737) 6.349 5.099 ( -8.787 0.000 -0.320) 8.793 5.143 ( -7.949 0.000 1.067) 8.020 5.195 ( -5.610 0.000 -1.907) 5.925 5.222 ( -9.134 0.000 0.819) 9.170 5.385 ( 0.690 0.000 0.447) 0.822 5.401 ( 4.699 0.000 -0.195) 4.703 5.618 ( -0.176 0.000 0.626) 0.650 5.622 ( -1.339 0.000 -0.942) 1.637 5.860 ( 3.603 0.000 4.013) 5.393 5.910 ( 2.130 0.000 1.731) 2.744 5.942 ( 2.349 0.000 3.105) 3.894 5.974 ( 2.821 0.000 2.764) 3.949 6.122 ( -0.780 0.000 -4.068) 4.142 6.221 ( 0.711 0.000 3.373) 3.447 6.247 ( 0.471 0.000 -4.585) 4.609 6.417 ( 1.896 0.000 1.892) 2.679 8.307 ( 2.649 0.000 0.661) 2.731 8.394 ( 2.273 0.000 0.917) 2.451 8.427 ( 2.175 0.000 -2.101) 3.024 8.505 ( 1.583 0.000 -1.522) 2.196 8.900 ( -0.191 0.000 2.999) 3.005 8.968 ( -1.346 0.000 2.224) 2.600 9.099 ( 2.545 0.000 -4.202) 4.913 9.121 ( 3.442 0.000 -5.030) 6.095 9.563 ( 3.284 0.000 -0.348) 3.302 9.580 ( 2.916 0.000 -0.772) 3.017 9.608 ( 3.772 0.000 0.855) 3.868 9.635 ( 4.216 0.000 0.807) 4.293 9.733 ( -1.181 0.000 -0.329) 1.227 9.767 ( -1.915 0.000 -1.361) 2.349 9.875 ( -2.185 0.000 -1.389) 2.589 9.928 ( -2.024 0.000 4.863) 5.267 10.100 ( -2.270 0.000 2.171) 3.141 10.123 ( -0.658 0.000 -1.139) 1.316 10.186 ( -2.191 0.000 0.381) 2.223 10.199 ( -1.446 0.000 -0.201) 1.460 ======================= Grid point 97 (57/84) ======================= q-point: ( 0.40 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -3.913 0.000 1.240) 4.105 1.515 ( -1.441 0.000 -1.398) 2.007 1.530 ( -1.728 0.000 -2.168) 2.772 1.627 ( -0.852 0.000 -1.144) 1.427 1.740 ( -2.251 0.000 -5.554) 5.993 1.747 ( 0.817 0.000 -2.227) 2.373 1.822 ( 5.304 0.000 -5.769) 7.837 1.867 ( 8.041 0.000 -4.325) 9.130 1.875 ( -0.770 0.000 -1.838) 1.993 1.902 ( 1.326 0.000 -0.927) 1.618 2.001 ( 0.828 0.000 -1.674) 1.868 2.053 ( 0.505 0.000 1.257) 1.354 2.156 ( 7.715 0.000 2.960) 8.264 2.216 ( 0.733 0.000 7.464) 7.500 2.228 ( 7.575 0.000 1.259) 7.679 2.282 ( 1.520 0.000 4.167) 4.435 2.516 ( 0.553 0.000 4.257) 4.292 2.551 ( 1.508 0.000 -6.529) 6.700 2.559 ( 3.398 0.000 -4.980) 6.029 2.576 ( 0.076 0.000 1.841) 1.843 2.781 ( 0.216 0.000 -1.605) 1.620 2.857 ( 7.946 0.000 0.602) 7.969 2.924 ( 3.134 0.000 7.013) 7.682 2.977 ( 4.957 0.000 6.359) 8.063 3.078 ( 3.105 0.000 2.245) 3.832 3.093 ( 1.699 0.000 0.837) 1.894 3.139 ( 3.930 0.000 2.692) 4.764 3.275 ( 5.043 0.000 4.006) 6.441 3.426 ( 1.838 0.000 -1.527) 2.389 3.450 ( 10.894 0.000 -3.736) 11.517 3.464 ( -2.684 0.000 0.049) 2.685 3.571 ( 5.202 0.000 -3.636) 6.347 3.669 ( 6.923 0.000 -2.371) 7.317 3.676 ( 7.077 0.000 -1.160) 7.171 3.727 ( 14.068 0.000 -3.229) 14.433 3.738 ( 18.854 0.000 0.715) 18.868 3.854 ( 7.059 0.000 1.018) 7.132 3.895 ( 9.417 0.000 1.447) 9.528 4.024 ( 11.205 0.000 -1.408) 11.293 4.200 ( 3.564 0.000 -3.590) 5.059 4.207 ( 6.930 0.000 -2.762) 7.460 4.280 ( 1.525 0.000 2.781) 3.172 4.308 ( 2.507 0.000 4.691) 5.319 4.384 ( -1.367 0.000 1.281) 1.874 4.745 ( -10.494 0.000 -2.915) 10.891 4.756 ( -11.859 0.000 -2.455) 12.110 4.900 ( -9.330 0.000 -0.372) 9.337 4.951 ( -6.442 0.000 -0.148) 6.443 4.962 ( -4.097 0.000 2.213) 4.657 5.003 ( -7.900 0.000 0.577) 7.921 5.047 ( -10.933 0.000 -0.624) 10.951 5.096 ( -4.685 0.000 -0.677) 4.734 5.420 ( 2.087 0.000 1.273) 2.444 5.493 ( 4.568 0.000 0.686) 4.620 5.596 ( -0.535 0.000 -0.547) 0.765 5.638 ( 1.222 0.000 1.918) 2.274 5.927 ( 1.622 0.000 0.314) 1.652 5.949 ( 1.479 0.000 0.318) 1.513 5.976 ( -1.173 0.000 -0.446) 1.255 5.982 ( -2.128 0.000 -5.422) 5.825 6.162 ( 5.192 0.000 6.398) 8.240 6.238 ( 2.722 0.000 -1.682) 3.200 6.252 ( -0.771 0.000 3.627) 3.709 6.438 ( -0.899 0.000 1.197) 1.497 8.355 ( 1.949 0.000 0.679) 2.064 8.436 ( 1.391 0.000 1.121) 1.787 8.437 ( 0.945 0.000 -1.850) 2.078 8.514 ( 0.862 0.000 -1.254) 1.522 8.918 ( -0.566 0.000 2.720) 2.778 8.961 ( -1.855 0.000 2.621) 3.211 9.097 ( 1.747 0.000 -4.415) 4.748 9.127 ( 2.618 0.000 -5.181) 5.805 9.610 ( 1.588 0.000 -1.044) 1.900 9.619 ( 3.000 0.000 0.324) 3.018 9.672 ( 2.061 0.000 -0.437) 2.107 9.683 ( -0.387 0.000 0.026) 0.388 9.724 ( -1.165 0.000 0.169) 1.178 9.738 ( 2.462 0.000 0.905) 2.623 9.837 ( -1.462 0.000 -0.195) 1.475 9.916 ( -3.370 0.000 2.706) 4.322 10.086 ( -0.878 0.000 1.155) 1.451 10.086 ( -1.757 0.000 -0.798) 1.930 10.182 ( 0.279 0.000 0.793) 0.841 10.187 ( 0.104 0.000 0.041) 0.112 ======================= Grid point 98 (58/84) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -9.801 0.000 5.677) 11.326 1.489 ( -4.833 0.000 1.555) 5.077 1.498 ( -1.861 0.000 1.977) 2.715 1.580 ( -4.685 0.000 0.373) 4.700 1.656 ( -1.841 0.000 -3.439) 3.901 1.671 ( -3.354 0.000 -5.002) 6.022 1.802 ( -3.018 0.000 -1.542) 3.390 1.880 ( -1.852 0.000 -2.878) 3.423 1.892 ( 2.533 0.000 -2.051) 3.260 1.948 ( 2.965 0.000 -3.045) 4.250 2.015 ( 3.102 0.000 0.193) 3.108 2.026 ( -3.256 0.000 0.304) 3.271 2.263 ( -3.385 0.000 5.032) 6.064 2.306 ( -2.093 0.000 2.974) 3.637 2.312 ( 7.426 0.000 1.472) 7.571 2.356 ( 4.462 0.000 1.500) 4.707 2.521 ( -1.325 0.000 -0.760) 1.528 2.529 ( 1.640 0.000 -2.476) 2.970 2.580 ( 4.177 0.000 -4.669) 6.264 2.604 ( 0.314 0.000 0.537) 0.622 2.784 ( 0.995 0.000 1.147) 1.519 2.924 ( 0.859 0.000 -2.108) 2.276 3.019 ( 1.417 0.000 5.768) 5.940 3.071 ( -1.836 0.000 3.615) 4.055 3.128 ( 2.992 0.000 -0.155) 2.996 3.140 ( 0.632 0.000 2.870) 2.939 3.205 ( -0.014 0.000 3.847) 3.847 3.345 ( -2.347 0.000 3.392) 4.124 3.359 ( -3.628 0.000 -0.761) 3.707 3.471 ( 2.731 0.000 -1.056) 2.928 3.510 ( 1.761 0.000 -6.279) 6.522 3.557 ( 1.555 0.000 -4.814) 5.059 3.703 ( 0.394 0.000 -1.234) 1.296 3.774 ( 2.297 0.000 -2.048) 3.077 3.849 ( -3.171 0.000 2.494) 4.034 3.912 ( 2.106 0.000 0.504) 2.165 4.005 ( -0.910 0.000 -0.121) 0.918 4.007 ( -2.602 0.000 0.649) 2.681 4.154 ( -0.338 0.000 0.921) 0.981 4.198 ( -4.215 0.000 1.381) 4.436 4.288 ( -0.680 0.000 3.744) 3.805 4.314 ( 4.899 0.000 0.138) 4.901 4.341 ( 0.248 0.000 -1.441) 1.462 4.369 ( 3.936 0.000 -1.646) 4.266 4.613 ( 1.322 0.000 -3.641) 3.874 4.618 ( 1.134 0.000 -2.908) 3.121 4.796 ( -0.409 0.000 0.359) 0.544 4.845 ( -8.339 0.000 -0.688) 8.368 4.884 ( 0.407 0.000 1.126) 1.198 4.934 ( 0.932 0.000 0.461) 1.040 5.001 ( 4.242 0.000 1.187) 4.405 5.022 ( -2.860 0.000 -0.246) 2.870 5.469 ( 2.101 0.000 1.297) 2.469 5.522 ( -0.819 0.000 -1.067) 1.345 5.633 ( 3.691 0.000 2.181) 4.287 5.694 ( 2.315 0.000 3.627) 4.303 5.844 ( -4.657 0.000 -7.235) 8.605 5.897 ( -3.802 0.000 -4.615) 5.980 5.951 ( -0.855 0.000 0.183) 0.875 5.970 ( 0.295 0.000 0.001) 0.295 6.261 ( -1.568 0.000 2.875) 3.275 6.300 ( 3.909 0.000 0.737) 3.978 6.322 ( 6.010 0.000 5.499) 8.146 6.412 ( -2.584 0.000 -0.084) 2.586 8.382 ( 0.520 0.000 0.566) 0.768 8.426 ( -0.399 0.000 -1.788) 1.832 8.461 ( 0.277 0.000 1.110) 1.144 8.509 ( -0.084 0.000 -1.324) 1.327 8.929 ( -1.086 0.000 2.763) 2.968 8.952 ( -2.283 0.000 3.325) 4.033 9.083 ( 1.288 0.000 -4.331) 4.518 9.120 ( 1.826 0.000 -4.837) 5.170 9.621 ( 0.462 0.000 -0.140) 0.482 9.633 ( -2.535 0.000 -1.154) 2.785 9.657 ( -2.424 0.000 0.756) 2.539 9.674 ( 1.600 0.000 0.640) 1.723 9.756 ( 1.683 0.000 1.491) 2.249 9.776 ( -1.012 0.000 0.809) 1.295 9.832 ( 1.867 0.000 0.507) 1.935 9.863 ( -4.059 0.000 0.294) 4.069 10.059 ( -1.087 0.000 0.453) 1.178 10.098 ( 1.799 0.000 -0.019) 1.799 10.200 ( 1.332 0.000 -0.310) 1.368 10.200 ( 1.332 0.000 0.091) 1.335 ======================= Grid point 99 (59/84) ======================= q-point: (-0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -8.731 0.000 12.558) 15.295 1.393 ( -8.141 0.000 4.468) 9.287 1.417 ( -13.675 0.000 1.863) 13.801 1.502 ( -2.131 0.000 6.222) 6.577 1.598 ( -3.808 0.000 -0.043) 3.808 1.623 ( -1.886 0.000 -0.361) 1.921 1.703 ( -5.612 0.000 -0.565) 5.640 1.787 ( -6.128 0.000 -2.725) 6.707 1.905 ( 0.996 0.000 -1.492) 1.794 1.942 ( -0.567 0.000 -0.329) 0.655 1.985 ( -0.993 0.000 -0.338) 1.049 2.073 ( 1.417 0.000 0.860) 1.658 2.183 ( -7.074 0.000 0.041) 7.074 2.279 ( -3.277 0.000 1.258) 3.511 2.362 ( -4.577 0.000 1.902) 4.956 2.419 ( 2.065 0.000 0.047) 2.066 2.486 ( 0.016 0.000 -3.357) 3.357 2.566 ( 2.627 0.000 1.303) 2.933 2.573 ( -0.851 0.000 -5.421) 5.487 2.597 ( 0.968 0.000 -3.559) 3.688 2.835 ( 1.942 0.000 2.598) 3.244 2.869 ( -4.054 0.000 -3.284) 5.217 3.023 ( -4.679 0.000 1.292) 4.854 3.076 ( 0.176 0.000 2.934) 2.940 3.102 ( -4.412 0.000 -3.627) 5.711 3.126 ( -3.757 0.000 -0.477) 3.787 3.193 ( -5.669 0.000 4.084) 6.987 3.298 ( -4.178 0.000 2.148) 4.698 3.328 ( -2.315 0.000 0.424) 2.353 3.441 ( -4.370 0.000 -1.992) 4.802 3.496 ( 0.499 0.000 -1.365) 1.454 3.554 ( 2.221 0.000 -4.637) 5.141 3.633 ( -17.206 0.000 2.412) 17.375 3.669 ( -3.033 0.000 -1.819) 3.537 3.755 ( -17.202 0.000 0.982) 17.230 3.767 ( -6.229 0.000 -3.984) 7.394 3.820 ( -14.150 0.000 2.100) 14.305 3.870 ( -10.122 0.000 2.373) 10.396 4.015 ( -13.901 0.000 0.314) 13.905 4.063 ( -12.088 0.000 -0.462) 12.097 4.202 ( -6.413 0.000 -1.031) 6.496 4.370 ( 2.096 0.000 1.146) 2.389 4.411 ( 3.552 0.000 -0.198) 3.558 4.424 ( -1.334 0.000 -2.864) 3.159 4.688 ( 6.808 0.000 -1.562) 6.985 4.715 ( 11.750 0.000 -1.500) 11.845 4.850 ( 9.011 0.000 2.084) 9.249 4.920 ( 10.528 0.000 2.514) 10.824 4.977 ( 7.798 0.000 0.960) 7.857 5.015 ( 3.698 0.000 -1.376) 3.945 5.046 ( 9.561 0.000 0.127) 9.562 5.098 ( 5.009 0.000 0.685) 5.055 5.490 ( -0.873 0.000 -1.672) 1.886 5.501 ( -0.152 0.000 0.440) 0.466 5.697 ( -3.170 0.000 -6.230) 6.990 5.713 ( 1.854 0.000 2.360) 3.001 5.788 ( 2.417 0.000 5.943) 6.415 5.792 ( -3.017 0.000 -3.205) 4.402 5.917 ( -2.813 0.000 0.207) 2.821 5.959 ( -1.260 0.000 -0.320) 1.300 6.246 ( -2.113 0.000 0.676) 2.218 6.347 ( -3.374 0.000 -2.115) 3.982 6.362 ( 2.218 0.000 -0.197) 2.227 6.453 ( 4.825 0.000 2.303) 5.347 8.382 ( -1.115 0.000 0.630) 1.280 8.391 ( -1.755 0.000 -1.635) 2.399 8.466 ( -0.708 0.000 1.031) 1.251 8.485 ( -1.331 0.000 -1.453) 1.970 8.924 ( -2.780 0.000 3.608) 4.555 8.949 ( -1.391 0.000 3.324) 3.603 9.066 ( 1.078 0.000 -4.062) 4.203 9.105 ( 1.198 0.000 -4.256) 4.421 9.573 ( -3.510 0.000 0.139) 3.512 9.616 ( -3.193 0.000 1.332) 3.460 9.628 ( -0.161 0.000 0.742) 0.759 9.698 ( 0.514 0.000 0.126) 0.530 9.733 ( -3.581 0.000 0.291) 3.592 9.785 ( 0.117 0.000 1.357) 1.362 9.789 ( -4.020 0.000 -0.472) 4.048 9.891 ( 3.034 0.000 1.862) 3.560 10.061 ( 0.393 0.000 1.280) 1.339 10.142 ( 3.604 0.000 -1.490) 3.900 10.221 ( 1.780 0.000 -1.234) 2.166 10.231 ( 2.737 0.000 -0.986) 2.909 ======================= Grid point 100 (60/84) ======================= q-point: (-0.30 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -15.387 0.000 6.771) 16.810 1.282 ( -6.604 0.000 11.686) 13.423 1.328 ( -7.083 0.000 14.039) 15.724 1.504 ( -10.173 0.000 2.792) 10.550 1.522 ( -6.535 0.000 3.903) 7.612 1.542 ( -0.595 0.000 7.662) 7.685 1.616 ( -11.326 0.000 -0.489) 11.337 1.683 ( 0.155 0.000 1.618) 1.625 1.901 ( -0.703 0.000 -0.151) 0.719 1.933 ( -0.415 0.000 -0.449) 0.611 1.979 ( 0.391 0.000 -0.698) 0.800 2.037 ( -5.740 0.000 -2.035) 6.090 2.087 ( -3.674 0.000 3.321) 4.953 2.216 ( -3.715 0.000 -2.089) 4.262 2.261 ( -7.545 0.000 1.142) 7.631 2.381 ( -5.390 0.000 0.480) 5.411 2.446 ( -2.345 0.000 -3.992) 4.630 2.482 ( -3.361 0.000 -7.731) 8.430 2.532 ( -5.135 0.000 -1.980) 5.504 2.625 ( 2.101 0.000 1.895) 2.829 2.741 ( -6.801 0.000 -3.144) 7.493 2.846 ( -1.710 0.000 -3.853) 4.216 2.933 ( -7.594 0.000 -2.525) 8.003 2.971 ( -5.592 0.000 -1.158) 5.711 3.006 ( -6.658 0.000 -1.349) 6.794 3.031 ( -7.667 0.000 -2.365) 8.023 3.129 ( -4.584 0.000 4.195) 6.213 3.215 ( -8.830 0.000 -1.303) 8.926 3.236 ( -8.045 0.000 0.694) 8.075 3.262 ( -16.755 0.000 -3.467) 17.110 3.323 ( -8.476 0.000 0.185) 8.478 3.434 ( -17.717 0.000 0.016) 17.717 3.529 ( -1.968 0.000 2.482) 3.167 3.550 ( -0.232 0.000 -1.441) 1.460 3.606 ( -1.106 0.000 0.603) 1.259 3.608 ( -9.323 0.000 -2.100) 9.557 3.629 ( -8.066 0.000 3.346) 8.732 3.752 ( -12.515 0.000 -2.866) 12.839 3.789 ( -6.420 0.000 7.881) 10.165 3.821 ( -11.191 0.000 -4.160) 11.939 4.098 ( -3.260 0.000 -2.963) 4.406 4.278 ( -9.639 0.000 -3.659) 10.310 4.415 ( 2.123 0.000 0.498) 2.181 4.458 ( 1.902 0.000 1.260) 2.282 4.816 ( 6.461 0.000 3.276) 7.244 4.943 ( 13.442 0.000 0.556) 13.454 5.032 ( 7.603 0.000 0.776) 7.642 5.080 ( 5.617 0.000 -1.950) 5.946 5.103 ( 6.687 0.000 0.717) 6.725 5.142 ( 9.933 0.000 0.896) 9.973 5.179 ( 4.625 0.000 -0.862) 4.704 5.228 ( 9.972 0.000 0.132) 9.973 5.446 ( -4.479 0.000 -1.836) 4.841 5.473 ( 1.130 0.000 -2.491) 2.736 5.645 ( 1.282 0.000 -2.445) 2.761 5.680 ( -1.885 0.000 -3.303) 3.803 5.792 ( -1.133 0.000 5.064) 5.189 5.844 ( -3.647 0.000 4.043) 5.445 5.916 ( 3.033 0.000 3.532) 4.655 5.940 ( -0.054 0.000 0.166) 0.174 6.197 ( -2.966 0.000 -1.658) 3.398 6.248 ( -4.559 0.000 -4.056) 6.102 6.375 ( 0.139 0.000 -2.273) 2.278 6.523 ( 2.589 0.000 -1.458) 2.971 8.338 ( -2.701 0.000 -1.258) 2.980 8.357 ( -2.506 0.000 0.938) 2.675 8.437 ( -2.787 0.000 -1.388) 3.114 8.456 ( -1.379 0.000 0.873) 1.632 8.904 ( -3.679 0.000 4.630) 5.914 8.957 ( -1.116 0.000 2.893) 3.100 9.049 ( 1.072 0.000 -3.869) 4.015 9.087 ( 0.832 0.000 -3.552) 3.648 9.520 ( -3.270 0.000 1.266) 3.507 9.564 ( -3.645 0.000 0.041) 3.645 9.619 ( -2.322 0.000 0.578) 2.393 9.685 ( -2.085 0.000 2.214) 3.041 9.686 ( -1.958 0.000 -1.456) 2.440 9.724 ( -2.210 0.000 0.331) 2.235 9.800 ( -0.166 0.000 2.243) 2.249 9.969 ( 3.501 0.000 3.226) 4.761 10.091 ( 1.316 0.000 1.718) 2.164 10.178 ( 2.865 0.000 -3.941) 4.873 10.239 ( 2.174 0.000 -1.986) 2.944 10.276 ( 4.117 0.000 -2.220) 4.677 ======================= Grid point 101 (61/84) ======================= q-point: (-0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -10.575 0.000 13.232) 16.939 1.202 ( -15.247 0.000 8.582) 17.496 1.311 ( -9.973 0.000 10.239) 14.293 1.390 ( -5.696 0.000 4.350) 7.167 1.471 ( -4.911 0.000 8.750) 10.034 1.533 ( -1.624 0.000 14.758) 14.847 1.593 ( -2.210 0.000 5.452) 5.883 1.697 ( -0.991 0.000 4.069) 4.188 1.875 ( -3.389 0.000 1.495) 3.704 1.886 ( -3.489 0.000 -3.437) 4.898 1.921 ( -4.365 0.000 -3.039) 5.318 1.968 ( -1.217 0.000 -1.048) 1.606 2.076 ( -1.818 0.000 -0.698) 1.947 2.114 ( -10.594 0.000 0.358) 10.601 2.127 ( -0.604 0.000 -2.990) 3.050 2.300 ( -3.582 0.000 1.124) 3.754 2.319 ( -7.364 0.000 -4.262) 8.508 2.333 ( -3.695 0.000 -8.379) 9.158 2.415 ( -8.449 0.000 2.365) 8.774 2.589 ( -7.636 0.000 -1.711) 7.825 2.646 ( -3.571 0.000 -1.664) 3.940 2.688 ( -8.537 0.000 -7.797) 11.561 2.749 ( -6.194 0.000 -2.077) 6.533 2.844 ( -9.920 0.000 0.835) 9.955 2.866 ( -7.462 0.000 -0.417) 7.473 2.897 ( -7.538 0.000 -0.288) 7.543 2.980 ( -7.320 0.000 -0.407) 7.331 3.046 ( -7.412 0.000 -0.346) 7.420 3.071 ( -8.714 0.000 -0.330) 8.720 3.099 ( -6.954 0.000 -3.399) 7.740 3.178 ( -6.397 0.000 -2.616) 6.911 3.195 ( -8.274 0.000 0.219) 8.277 3.426 ( -8.624 0.000 -2.435) 8.962 3.469 ( -3.706 0.000 -6.086) 7.125 3.471 ( -10.442 0.000 -0.746) 10.468 3.577 ( -2.756 0.000 3.499) 4.455 3.602 ( 1.993 0.000 2.278) 3.027 3.677 ( 3.616 0.000 1.349) 3.859 3.698 ( -1.489 0.000 2.358) 2.788 3.742 ( -7.649 0.000 4.986) 9.131 4.059 ( 0.899 0.000 0.260) 0.936 4.103 ( -5.633 0.000 -1.306) 5.782 4.451 ( 2.231 0.000 -0.851) 2.388 4.495 ( 1.528 0.000 0.020) 1.528 4.937 ( 2.482 0.000 5.094) 5.667 5.120 ( 2.639 0.000 -3.176) 4.129 5.128 ( 3.202 0.000 0.387) 3.226 5.153 ( 6.895 0.000 -0.088) 6.895 5.202 ( 6.761 0.000 1.089) 6.848 5.239 ( 4.082 0.000 -0.667) 4.136 5.301 ( 6.549 0.000 -0.286) 6.555 5.363 ( 5.190 0.000 -0.127) 5.192 5.370 ( -1.432 0.000 -1.619) 2.162 5.472 ( 1.781 0.000 -3.889) 4.278 5.647 ( 0.506 0.000 -1.141) 1.248 5.663 ( 2.330 0.000 -1.241) 2.640 5.799 ( -2.292 0.000 3.870) 4.498 5.818 ( -2.282 0.000 3.403) 4.097 5.971 ( 1.910 0.000 2.335) 3.017 5.987 ( 0.741 0.000 0.893) 1.160 6.127 ( -4.246 0.000 -5.170) 6.690 6.129 ( -2.955 0.000 0.237) 2.964 6.324 ( -2.743 0.000 -3.861) 4.736 6.501 ( -2.064 0.000 -5.526) 5.899 8.286 ( -1.904 0.000 -0.780) 2.058 8.317 ( -3.161 0.000 1.236) 3.394 8.368 ( -3.700 0.000 -0.734) 3.772 8.434 ( -1.957 0.000 0.497) 2.019 8.883 ( -3.988 0.000 5.384) 6.700 8.958 ( -1.615 0.000 2.276) 2.791 9.034 ( 1.245 0.000 -3.974) 4.164 9.073 ( 0.902 0.000 -2.789) 2.931 9.485 ( -2.320 0.000 1.747) 2.904 9.490 ( -4.280 0.000 -0.513) 4.310 9.567 ( -3.318 0.000 -0.214) 3.325 9.618 ( -3.089 0.000 -2.073) 3.720 9.700 ( -0.198 0.000 4.187) 4.192 9.716 ( -0.156 0.000 1.311) 1.320 9.825 ( 0.222 0.000 3.039) 3.047 10.062 ( 3.694 0.000 2.078) 4.239 10.128 ( 1.068 0.000 1.596) 1.921 10.166 ( 0.912 0.000 -5.423) 5.499 10.270 ( 4.014 0.000 -2.039) 4.503 10.330 ( 4.798 0.000 -3.338) 5.845 ======================= Grid point 102 (62/84) ======================= q-point: (-0.10 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -14.610 0.000 12.037) 18.930 1.076 ( -2.692 0.000 17.214) 17.423 1.245 ( -7.346 0.000 10.710) 12.987 1.387 ( 0.366 0.000 2.618) 2.644 1.498 ( -3.581 0.000 9.750) 10.386 1.539 ( -5.886 0.000 2.937) 6.578 1.642 ( -12.060 0.000 -0.323) 12.065 1.678 ( 0.536 0.000 11.266) 11.279 1.771 ( -4.742 0.000 -4.476) 6.521 1.829 ( -0.888 0.000 4.534) 4.620 1.843 ( -0.904 0.000 -3.452) 3.568 1.942 ( -0.445 0.000 -0.266) 0.519 1.978 ( -2.769 0.000 -4.322) 5.133 1.984 ( -1.714 0.000 -5.228) 5.502 2.137 ( -7.417 0.000 -4.072) 8.461 2.153 ( 2.904 0.000 -3.818) 4.797 2.224 ( -1.768 0.000 -2.854) 3.357 2.259 ( -9.974 0.000 0.216) 9.976 2.306 ( 1.595 0.000 0.260) 1.616 2.463 ( -6.237 0.000 2.589) 6.753 2.524 ( -3.159 0.000 -1.950) 3.712 2.531 ( -3.269 0.000 1.034) 3.429 2.709 ( -3.388 0.000 1.432) 3.678 2.713 ( -7.999 0.000 -4.757) 9.307 2.744 ( -2.043 0.000 1.587) 2.587 2.762 ( -6.560 0.000 0.231) 6.564 2.910 ( -1.767 0.000 -2.907) 3.402 2.940 ( -5.412 0.000 1.861) 5.723 2.965 ( -2.432 0.000 -1.095) 2.667 2.973 ( -3.008 0.000 -0.515) 3.051 3.038 ( -5.513 0.000 -2.969) 6.261 3.136 ( -0.910 0.000 -0.252) 0.944 3.253 ( -4.399 0.000 -7.869) 9.016 3.295 ( -6.192 0.000 -5.314) 8.160 3.365 ( -2.728 0.000 -4.691) 5.427 3.575 ( -11.119 0.000 -0.187) 11.121 3.586 ( -1.710 0.000 6.263) 6.492 3.692 ( 3.763 0.000 3.652) 5.244 3.728 ( 0.545 0.000 3.642) 3.683 3.781 ( 5.190 0.000 1.368) 5.367 4.089 ( 0.613 0.000 4.989) 5.026 4.135 ( 4.549 0.000 4.240) 6.219 4.471 ( 1.651 0.000 -2.600) 3.080 4.506 ( 0.812 0.000 -2.254) 2.396 4.983 ( -1.935 0.000 3.904) 4.357 5.101 ( 0.337 0.000 -4.248) 4.261 5.148 ( -0.671 0.000 1.163) 1.343 5.215 ( 2.385 0.000 -0.393) 2.417 5.308 ( 1.835 0.000 -1.601) 2.436 5.349 ( 3.720 0.000 1.794) 4.130 5.350 ( 5.996 0.000 0.750) 6.042 5.395 ( 0.501 0.000 -1.844) 1.911 5.406 ( 4.060 0.000 -0.730) 4.125 5.487 ( 2.856 0.000 -1.117) 3.067 5.657 ( 0.469 0.000 -0.012) 0.470 5.692 ( 1.415 0.000 -0.814) 1.632 5.787 ( -1.813 0.000 1.094) 2.118 5.836 ( 1.100 0.000 2.344) 2.589 5.926 ( -3.713 0.000 -4.188) 5.597 6.023 ( 2.062 0.000 -0.116) 2.065 6.032 ( -2.039 0.000 -2.262) 3.046 6.137 ( 0.260 0.000 4.372) 4.380 6.229 ( -3.249 0.000 -3.390) 4.696 6.341 ( -9.281 0.000 -7.573) 11.979 8.273 ( 1.613 0.000 -1.198) 2.009 8.275 ( -2.832 0.000 1.172) 3.065 8.323 ( -0.362 0.000 0.397) 0.537 8.397 ( -2.547 0.000 0.010) 2.547 8.865 ( -3.774 0.000 5.725) 6.857 8.941 ( -2.334 0.000 2.192) 3.202 9.023 ( 1.800 0.000 -3.992) 4.379 9.069 ( 1.289 0.000 -2.553) 2.860 9.430 ( -2.423 0.000 1.053) 2.642 9.470 ( -1.091 0.000 1.278) 1.681 9.508 ( -2.906 0.000 -0.330) 2.925 9.554 ( -2.124 0.000 -1.936) 2.874 9.737 ( 0.842 0.000 1.817) 2.003 9.741 ( 0.334 0.000 4.260) 4.273 9.857 ( -0.034 0.000 3.408) 3.408 10.095 ( 0.808 0.000 -3.929) 4.012 10.131 ( 0.349 0.000 -3.350) 3.368 10.151 ( 0.172 0.000 0.989) 1.004 10.346 ( 5.268 0.000 -1.670) 5.526 10.372 ( 3.470 0.000 -3.877) 5.204 ======================= Grid point 103 (63/84) ======================= q-point: ( 0.00 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 4.759 5.046 13.229) 14.937 1.194 ( 2.077 -5.602 9.655) 11.354 1.249 ( 1.797 0.836 12.729) 12.882 1.325 ( -3.399 -5.506 6.082) 8.880 1.439 ( -3.098 1.411 0.271) 3.415 1.462 ( -4.338 -0.561 -0.541) 4.408 1.613 ( -1.291 4.652 4.371) 6.512 1.648 ( -4.693 1.875 1.491) 5.269 1.744 ( 0.162 1.289 -4.814) 4.986 1.806 ( 1.766 -3.205 -3.908) 5.354 1.874 ( 2.205 1.334 -3.275) 4.168 1.920 ( 0.904 -2.582 -2.225) 3.527 1.932 ( 0.140 2.021 -1.262) 2.387 1.972 ( 1.038 -1.554 -2.603) 3.204 2.030 ( 0.882 1.957 0.428) 2.189 2.081 ( -0.692 -2.716 -3.431) 4.430 2.223 ( -0.325 3.553 1.301) 3.798 2.277 ( -1.048 0.039 0.133) 1.057 2.304 ( 4.719 1.069 0.914) 4.925 2.388 ( -0.671 -4.112 1.690) 4.496 2.551 ( -0.567 1.228 2.924) 3.222 2.582 ( 0.373 0.266 0.452) 0.644 2.594 ( -0.532 1.999 0.374) 2.102 2.632 ( -0.492 0.239 -5.853) 5.879 2.682 ( -0.844 -0.027 3.587) 3.685 2.778 ( -1.819 -4.483 -4.964) 6.932 2.796 ( 0.171 3.622 1.643) 3.981 2.873 ( -0.684 0.626 -1.454) 1.725 2.915 ( -1.728 -2.719 0.870) 3.337 2.963 ( 0.980 -3.904 -0.097) 4.026 3.017 ( 2.322 2.773 2.459) 4.374 3.077 ( 0.860 -3.282 1.171) 3.590 3.174 ( -0.214 2.206 -6.888) 7.236 3.200 ( 0.490 0.293 -6.869) 6.892 3.349 ( -1.193 2.367 -0.300) 2.668 3.391 ( -4.497 -1.401 -1.270) 4.879 3.643 ( -0.939 2.990 4.555) 5.529 3.714 ( 0.770 -3.709 2.647) 4.621 3.821 ( 2.221 2.362 2.536) 4.116 3.860 ( 3.037 -1.312 1.794) 3.764 4.187 ( 1.155 2.324 5.069) 5.695 4.225 ( 1.603 -1.227 4.114) 4.583 4.458 ( -0.778 0.612 -4.084) 4.202 4.472 ( -0.716 -0.632 -4.293) 4.397 4.979 ( -4.063 3.183 2.814) 5.879 5.054 ( -1.761 -3.442 0.133) 3.869 5.161 ( 1.228 1.816 0.543) 2.258 5.212 ( 0.945 -2.505 -0.477) 2.720 5.315 ( -0.552 0.689 0.123) 0.891 5.332 ( -1.512 -1.043 -0.613) 1.936 5.414 ( 1.751 0.260 -1.789) 2.517 5.421 ( 1.657 -0.344 -1.939) 2.574 5.499 ( 1.910 1.651 1.376) 2.875 5.518 ( 0.439 -0.046 0.424) 0.612 5.659 ( -1.391 0.284 0.799) 1.629 5.668 ( -2.687 -0.601 0.201) 2.761 5.774 ( -0.520 0.992 -1.809) 2.128 5.797 ( -1.285 -1.043 -3.240) 3.638 5.951 ( 2.161 1.882 0.907) 3.006 5.996 ( -0.976 -0.635 -0.524) 1.277 6.031 ( 0.428 0.110 -2.604) 2.641 6.080 ( -2.417 -2.603 -4.220) 5.516 6.194 ( 0.369 1.149 1.192) 1.696 6.210 ( 0.840 -0.132 -0.050) 0.852 8.270 ( -1.536 2.340 0.360) 2.822 8.317 ( 0.957 -1.281 -1.277) 2.046 8.333 ( 1.902 0.313 -1.019) 2.180 8.359 ( 4.071 -1.209 -1.491) 4.501 8.870 ( -2.809 1.624 4.979) 5.943 8.909 ( -1.746 -2.019 4.030) 4.834 9.042 ( 2.724 1.199 -3.640) 4.702 9.064 ( 2.298 -0.791 -3.409) 4.187 9.438 ( 0.193 0.768 1.650) 1.830 9.454 ( -0.037 -0.857 1.035) 1.344 9.490 ( -0.558 0.980 -0.481) 1.226 9.507 ( -0.509 -0.706 -1.363) 1.617 9.769 ( 0.549 -0.262 2.126) 2.212 9.770 ( 0.582 -0.350 2.179) 2.283 9.927 ( -1.103 4.202 2.875) 5.210 10.015 ( -1.080 -3.815 -0.492) 3.995 10.115 ( 0.443 0.667 -2.401) 2.531 10.140 ( 0.227 -1.303 -2.163) 2.535 10.375 ( -0.350 0.460 -2.549) 2.614 10.379 ( -0.266 0.235 -2.853) 2.875 ======================= Grid point 104 (64/84) ======================= q-point: ( 0.10 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 4.191 -1.279 5.101) 6.725 1.289 ( 3.992 -1.995 3.766) 5.840 1.406 ( 3.756 0.168 4.954) 6.219 1.432 ( 2.802 -2.170 4.634) 5.834 1.456 ( 9.073 2.863 2.892) 9.944 1.513 ( 12.095 -2.127 5.102) 13.298 1.636 ( 1.436 4.034 1.688) 4.603 1.669 ( 2.608 1.898 3.985) 5.127 1.743 ( 5.333 2.210 -1.472) 5.958 1.835 ( 5.717 -4.589 -6.365) 9.709 1.886 ( 2.858 0.266 -0.245) 2.881 1.909 ( 1.092 -1.338 -4.136) 4.482 1.956 ( 1.120 1.555 0.111) 1.919 1.993 ( 2.198 -1.326 -0.936) 2.732 2.035 ( 2.038 2.742 -4.126) 5.357 2.084 ( 3.342 -1.664 -2.232) 4.350 2.245 ( 2.488 2.506 0.426) 3.557 2.301 ( 3.121 -1.522 0.267) 3.482 2.408 ( 2.646 0.450 -1.614) 3.132 2.422 ( 6.760 0.659 0.682) 6.826 2.550 ( 0.272 0.643 0.501) 0.859 2.588 ( 3.000 -0.671 -0.353) 3.094 2.612 ( 3.428 0.506 -1.660) 3.842 2.640 ( 4.107 -2.978 -1.285) 5.233 2.738 ( 3.064 3.635 2.611) 5.424 2.788 ( 3.497 -1.580 1.420) 4.092 2.836 ( 3.046 -1.153 1.667) 3.658 2.896 ( -0.718 -3.113 1.193) 3.410 2.922 ( 7.101 3.038 -0.132) 7.725 3.022 ( 5.375 -4.206 -1.140) 6.919 3.072 ( 1.596 0.833 -1.683) 2.465 3.097 ( 1.795 -0.494 -2.122) 2.823 3.177 ( 6.770 2.124 -0.974) 7.162 3.197 ( 4.828 0.395 -3.695) 6.092 3.384 ( 3.958 1.931 1.643) 4.700 3.413 ( 5.716 -1.011 3.882) 6.983 3.672 ( 0.209 2.490 4.147) 4.841 3.739 ( 0.410 -3.868 0.712) 3.955 3.861 ( 0.980 2.557 0.244) 2.749 3.904 ( 1.440 -1.454 -0.886) 2.230 4.225 ( -1.111 1.430 3.841) 4.246 4.248 ( -2.177 -0.721 3.280) 4.002 4.381 ( -3.417 0.461 -4.476) 5.650 4.396 ( -2.808 -0.893 -5.573) 6.304 4.956 ( -1.745 4.428 4.334) 6.437 5.052 ( 0.438 -4.319 1.753) 4.682 5.176 ( -0.013 1.432 -0.212) 1.447 5.210 ( -0.981 -1.563 -0.845) 2.029 5.293 ( -2.667 0.558 0.353) 2.748 5.308 ( -0.881 -0.819 1.280) 1.757 5.385 ( -3.223 0.115 -1.841) 3.713 5.390 ( -2.659 -0.229 -2.315) 3.533 5.473 ( -4.249 1.179 -1.076) 4.539 5.492 ( -4.188 -0.551 -0.257) 4.232 5.631 ( -1.652 1.224 2.167) 2.987 5.656 ( -0.612 -1.015 1.603) 1.993 5.762 ( 0.156 0.136 -1.800) 1.812 5.767 ( 0.946 -0.284 -0.191) 1.006 5.913 ( -1.981 0.890 -1.107) 2.438 5.935 ( -2.664 -1.138 -0.998) 3.064 6.080 ( 5.390 2.623 0.198) 5.998 6.142 ( 5.522 -3.293 -0.531) 6.451 6.235 ( 3.350 1.167 -0.588) 3.596 6.249 ( 3.064 -0.301 -0.341) 3.098 8.257 ( 0.109 1.972 0.128) 1.980 8.302 ( -0.009 -2.220 -0.289) 2.239 8.385 ( 4.467 1.928 -2.808) 5.618 8.425 ( 4.593 -1.780 -2.494) 5.521 8.874 ( -1.425 2.135 4.336) 5.039 8.923 ( -0.764 -2.405 3.570) 4.372 9.064 ( 3.486 0.908 -3.689) 5.156 9.078 ( 3.126 -0.389 -3.911) 5.022 9.474 ( 2.166 0.518 1.608) 2.747 9.485 ( 2.302 -0.524 1.272) 2.682 9.494 ( 1.416 0.341 -0.371) 1.503 9.502 ( 1.258 -0.336 -1.328) 1.859 9.780 ( -0.655 0.177 0.782) 1.035 9.793 ( 0.139 -0.914 0.719) 1.171 9.928 ( -1.625 3.238 3.131) 4.788 9.985 ( -1.500 -1.654 -0.661) 2.329 10.102 ( -0.489 -0.097 -0.670) 0.835 10.127 ( 0.057 -1.561 -1.440) 2.124 10.318 ( -3.657 0.737 -1.088) 3.886 10.327 ( -3.129 0.007 -1.273) 3.378 ======================= Grid point 105 (65/84) ======================= q-point: ( 0.20 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 3.863 -1.599 0.190) 4.185 1.388 ( 4.947 -2.690 1.430) 5.810 1.506 ( 5.771 0.941 2.042) 6.193 1.548 ( 6.575 -2.578 0.958) 7.127 1.642 ( 7.935 3.512 0.152) 8.678 1.693 ( 6.612 0.338 0.232) 6.624 1.747 ( 4.436 1.160 2.500) 5.222 1.759 ( 5.533 0.147 0.634) 5.571 1.840 ( 1.259 -0.947 -4.036) 4.333 1.854 ( 2.578 -1.570 -2.338) 3.818 1.933 ( 4.311 1.953 0.463) 4.755 1.967 ( 3.230 2.643 -1.121) 4.321 1.997 ( 6.800 -1.537 -0.187) 6.974 2.011 ( 2.423 -0.059 -1.770) 3.001 2.069 ( 4.697 2.925 -0.195) 5.537 2.129 ( 4.161 -2.093 -0.095) 4.659 2.312 ( 5.455 1.112 -2.381) 6.055 2.372 ( 6.767 -2.872 -1.957) 7.608 2.477 ( 5.532 2.807 0.820) 6.257 2.553 ( 5.281 -3.718 1.999) 6.761 2.596 ( 5.532 2.759 1.814) 6.443 2.642 ( 2.482 0.051 0.530) 2.539 2.666 ( 4.093 1.832 -0.086) 4.485 2.746 ( 5.660 -3.656 -0.851) 6.792 2.866 ( 8.201 0.820 0.522) 8.258 2.882 ( 7.674 1.911 2.025) 8.164 2.924 ( 6.083 -3.721 0.876) 7.185 2.948 ( 5.582 -2.812 2.728) 6.820 3.088 ( 11.781 2.507 0.322) 12.049 3.116 ( 5.861 1.979 -0.462) 6.204 3.130 ( 6.518 0.263 -0.403) 6.536 3.146 ( 9.959 -1.600 -2.241) 10.332 3.287 ( 9.102 2.476 -2.405) 9.735 3.334 ( 10.814 -2.303 -0.925) 11.095 3.516 ( 7.013 3.029 2.965) 8.194 3.546 ( 1.976 -0.366 6.360) 6.669 3.728 ( 2.455 0.588 -1.201) 2.796 3.775 ( 7.024 -3.650 -1.061) 7.987 3.871 ( 1.955 1.730 -1.832) 3.189 3.897 ( 0.978 -0.622 -3.942) 4.109 4.221 ( -0.469 1.362 -3.284) 3.586 4.238 ( -1.646 0.051 2.988) 3.412 4.294 ( -3.174 -0.926 -4.059) 5.235 4.299 ( -3.085 -1.228 3.028) 4.494 4.985 ( -0.658 4.394 4.615) 6.406 5.075 ( -1.666 -3.857 2.334) 4.807 5.143 ( -3.312 0.827 -2.280) 4.105 5.148 ( -4.681 0.223 -0.769) 4.749 5.248 ( -3.875 1.896 0.067) 4.315 5.272 ( -7.451 0.760 -0.929) 7.547 5.295 ( -5.590 -1.079 -0.423) 5.709 5.306 ( -1.901 -2.437 0.872) 3.211 5.388 ( -2.957 0.588 -2.023) 3.631 5.398 ( -3.905 -0.383 -0.991) 4.047 5.628 ( -1.294 0.726 1.040) 1.812 5.644 ( -1.537 -0.793 -0.127) 1.734 5.785 ( 2.423 1.466 2.862) 4.027 5.816 ( 2.748 -1.490 3.600) 4.767 5.903 ( 1.038 0.752 0.326) 1.323 5.921 ( 0.730 -0.821 0.631) 1.267 6.150 ( 2.224 1.300 -0.833) 2.708 6.179 ( 0.489 -1.453 -1.621) 2.231 6.288 ( 2.977 1.725 -1.267) 3.667 6.321 ( 4.670 -1.417 0.892) 4.961 8.278 ( 1.958 1.715 0.308) 2.621 8.320 ( 1.940 -2.219 0.110) 2.950 8.428 ( 3.260 2.049 -2.317) 4.494 8.467 ( 2.908 -1.658 -2.179) 3.994 8.895 ( -0.440 2.013 3.428) 4.000 8.940 ( -0.630 -2.236 2.749) 3.600 9.091 ( 3.435 0.623 -4.003) 5.311 9.100 ( 3.541 -0.208 -4.370) 5.629 9.522 ( 2.573 0.273 -1.008) 2.777 9.528 ( 2.752 -0.109 -0.441) 2.789 9.540 ( 3.522 0.296 1.347) 3.782 9.550 ( 3.775 -0.458 1.122) 3.965 9.763 ( -1.270 0.522 -0.502) 1.462 9.784 ( -1.016 -1.376 -0.851) 1.910 9.933 ( -1.682 1.998 4.268) 5.003 9.953 ( -2.076 0.770 0.031) 2.214 10.087 ( -0.932 -0.807 0.348) 1.281 10.112 ( -0.451 -2.250 -1.357) 2.666 10.248 ( -3.645 1.011 0.074) 3.783 10.260 ( -3.485 0.098 -0.249) 3.495 ======================= Grid point 106 (66/84) ======================= q-point: ( 0.30 0.33 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 3.403 -0.699 -0.814) 3.568 1.468 ( 1.870 -4.225 2.186) 5.111 1.604 ( 2.235 0.414 -4.867) 5.371 1.612 ( 5.012 -0.021 -2.806) 5.744 1.758 ( 3.719 2.817 -1.903) 5.039 1.772 ( 2.761 2.178 -2.904) 4.560 1.791 ( 3.422 0.924 -5.461) 6.510 1.821 ( 3.808 0.592 -0.316) 3.867 1.829 ( -0.239 -2.529 -4.539) 5.202 1.888 ( 5.937 -4.787 2.574) 8.050 1.995 ( 4.514 3.284 0.282) 5.589 2.020 ( 2.245 3.263 -1.860) 4.375 2.054 ( 5.211 1.659 1.128) 5.584 2.096 ( 4.375 -1.821 -0.051) 4.739 2.175 ( 2.607 2.378 3.702) 5.114 2.198 ( 2.863 0.114 3.095) 4.218 2.398 ( 4.221 -1.324 1.583) 4.698 2.462 ( 4.023 -5.782 -1.724) 7.252 2.571 ( 4.404 3.005 -1.905) 5.661 2.611 ( 1.382 -0.302 -1.038) 1.755 2.706 ( 5.572 3.634 -0.021) 6.652 2.757 ( 6.662 -0.361 5.342) 8.547 2.777 ( 5.312 -1.590 3.995) 6.834 2.798 ( 3.776 -3.312 1.991) 5.403 2.980 ( 4.322 -0.604 2.470) 5.015 2.992 ( 5.244 -0.567 0.823) 5.339 3.106 ( 7.988 1.563 -0.192) 8.142 3.125 ( 9.133 -1.016 1.039) 9.248 3.252 ( 12.707 2.960 0.456) 13.055 3.284 ( 12.793 -0.184 1.772) 12.917 3.372 ( 16.851 0.305 -0.784) 16.872 3.377 ( 15.557 0.079 0.900) 15.583 3.461 ( 12.367 1.499 -0.950) 12.494 3.497 ( 6.389 -1.807 0.088) 6.640 3.600 ( 4.545 -0.004 0.248) 4.552 3.612 ( 1.987 -0.845 0.375) 2.191 3.770 ( 5.168 3.512 -4.309) 7.591 3.824 ( 2.484 -1.753 -5.605) 6.377 3.911 ( 7.258 3.590 -1.822) 8.300 4.014 ( 11.785 -5.510 -0.204) 13.012 4.180 ( 2.467 1.639 -5.946) 6.643 4.216 ( 1.432 -1.682 -5.309) 5.750 4.275 ( -1.418 2.216 7.460) 7.910 4.328 ( -0.468 -2.638 6.617) 7.139 4.952 ( -8.121 0.801 0.890) 8.209 4.963 ( -10.449 -0.112 -1.434) 10.548 5.038 ( -7.178 0.263 -0.589) 7.207 5.045 ( -6.927 -0.467 -0.764) 6.985 5.123 ( -7.442 2.094 0.138) 7.732 5.161 ( -5.687 -0.533 0.025) 5.712 5.187 ( -7.903 0.948 -0.012) 7.960 5.216 ( -8.172 -0.855 0.263) 8.221 5.388 ( 2.143 0.383 0.367) 2.207 5.398 ( 4.362 -0.426 0.171) 4.386 5.610 ( -1.009 -0.402 0.242) 1.112 5.613 ( -1.098 -0.600 -0.387) 1.310 5.873 ( 3.223 1.101 3.087) 4.597 5.897 ( 2.465 -1.131 2.231) 3.512 5.950 ( 2.499 0.760 2.979) 3.961 5.967 ( 2.699 -0.737 2.762) 3.931 6.132 ( -0.648 1.006 -3.403) 3.607 6.166 ( -0.168 -2.516 -1.697) 3.040 6.321 ( 1.309 4.164 0.249) 4.372 6.390 ( 1.762 -2.604 1.505) 3.486 8.323 ( 2.537 1.529 0.601) 3.022 8.362 ( 2.335 -2.179 0.461) 3.226 8.457 ( 2.080 1.909 -1.573) 3.232 8.490 ( 1.772 -1.344 -1.557) 2.715 8.916 ( -0.455 1.490 2.815) 3.217 8.949 ( -1.007 -1.627 2.426) 3.089 9.107 ( 2.720 0.624 -4.438) 5.242 9.118 ( 3.159 -0.373 -4.843) 5.794 9.566 ( 3.102 0.269 -0.478) 3.150 9.573 ( 2.898 -0.466 -0.766) 3.033 9.618 ( 4.017 0.710 1.005) 4.201 9.630 ( 4.212 -0.463 0.907) 4.333 9.734 ( -1.392 0.306 -0.551) 1.528 9.750 ( -1.655 -1.198 -1.049) 2.297 9.910 ( -2.683 2.569 0.005) 3.715 9.937 ( -2.510 0.217 3.651) 4.436 10.077 ( -1.127 -1.130 1.134) 1.958 10.090 ( -0.546 -2.214 -1.038) 2.505 10.202 ( -2.008 1.076 0.706) 2.385 10.211 ( -2.016 0.316 0.069) 2.042 ======================= Grid point 107 (67/84) ======================= q-point: ( 0.40 0.33 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -2.800 -1.366 2.309) 3.878 1.464 ( -4.610 -2.162 3.115) 5.969 1.585 ( 2.729 3.302 -5.725) 7.150 1.649 ( 3.242 -1.095 -4.936) 6.006 1.705 ( -2.086 -0.662 -3.903) 4.475 1.731 ( -3.050 -1.123 -4.644) 5.669 1.791 ( 1.671 -0.451 -4.607) 4.921 1.812 ( 1.224 -2.539 -4.228) 5.081 1.934 ( 7.363 4.050 -1.034) 8.467 1.989 ( 3.364 -1.029 -0.735) 3.594 2.020 ( -0.472 5.925 -0.903) 6.012 2.078 ( 0.038 -0.008 0.584) 0.585 2.154 ( 7.076 0.994 1.897) 7.393 2.194 ( 6.611 -2.240 2.019) 7.266 2.243 ( 1.107 1.638 5.136) 5.503 2.272 ( 0.976 -0.965 4.882) 5.072 2.481 ( 2.893 -1.749 2.731) 4.346 2.498 ( 2.251 -3.212 -0.559) 3.962 2.583 ( 0.296 1.633 -3.447) 3.825 2.599 ( -0.149 0.133 -1.261) 1.277 2.781 ( 2.098 1.325 0.213) 2.490 2.829 ( 3.461 -2.438 -0.299) 4.244 2.940 ( 6.626 0.660 5.499) 8.636 2.957 ( 6.135 -1.311 5.622) 8.424 3.068 ( 2.019 1.029 3.745) 4.377 3.098 ( 4.323 -1.231 2.781) 5.285 3.188 ( 2.772 3.740 0.638) 4.699 3.249 ( 4.954 -2.301 1.894) 5.781 3.432 ( 2.364 0.758 -0.860) 2.628 3.450 ( 1.043 -0.829 -0.404) 1.392 3.493 ( 5.564 2.912 -2.965) 6.945 3.547 ( 5.219 -2.181 -3.628) 6.720 3.683 ( 5.805 1.220 -0.506) 5.953 3.689 ( 7.049 0.699 -1.718) 7.289 3.721 ( 16.198 -0.290 -2.562) 16.402 3.731 ( 16.527 -0.931 0.080) 16.554 3.865 ( 9.664 1.204 -0.210) 9.741 3.890 ( 9.273 -0.879 0.282) 9.319 4.059 ( 9.356 3.883 -1.262) 10.208 4.156 ( 6.252 -4.521 -3.303) 8.393 4.221 ( 5.513 1.241 -1.454) 5.835 4.253 ( 2.955 -1.977 1.759) 3.967 4.324 ( 0.474 1.810 4.282) 4.672 4.365 ( -0.757 -1.867 2.575) 3.270 4.747 ( -10.715 0.214 -2.791) 11.075 4.752 ( -11.361 -0.273 -2.540) 11.645 4.902 ( -7.726 0.361 0.082) 7.735 4.920 ( -5.917 -1.560 0.341) 6.129 4.981 ( -9.069 2.022 1.033) 9.349 5.023 ( -10.238 -1.793 -0.297) 10.398 5.058 ( -6.330 2.755 0.024) 6.904 5.092 ( -5.392 -0.684 -0.459) 5.455 5.441 ( 2.567 2.019 0.984) 3.411 5.482 ( 3.630 -1.462 0.625) 3.963 5.599 ( 0.460 0.735 0.376) 0.945 5.624 ( 1.269 -1.316 1.543) 2.393 5.930 ( 1.657 0.366 0.039) 1.697 5.942 ( 1.719 -0.664 0.203) 1.854 5.976 ( -1.788 0.143 -2.158) 2.806 5.980 ( -1.960 -0.184 -4.028) 4.483 6.164 ( 4.516 0.320 5.275) 6.952 6.184 ( 2.904 -1.919 2.717) 4.416 6.335 ( -0.277 4.474 0.899) 4.571 6.409 ( -0.750 -2.803 1.062) 3.090 8.368 ( 1.781 1.231 0.582) 2.242 8.399 ( 1.428 -1.848 0.241) 2.348 8.472 ( 1.048 1.709 -0.943) 2.215 8.502 ( 0.935 -1.145 -1.211) 1.911 8.929 ( -0.886 0.948 2.729) 3.022 8.950 ( -1.521 -1.022 2.675) 3.243 9.106 ( 1.946 0.774 -4.630) 5.082 9.121 ( 2.379 -0.618 -5.011) 5.581 9.608 ( 1.933 0.030 -0.814) 2.098 9.614 ( 2.548 -0.463 -0.176) 2.595 9.680 ( 0.934 0.525 -0.341) 1.124 9.684 ( 0.123 0.053 -0.287) 0.317 9.721 ( 0.367 0.004 0.831) 0.908 9.730 ( 1.833 -0.692 1.136) 2.264 9.866 ( -2.246 2.460 -0.014) 3.331 9.908 ( -3.357 -1.231 1.538) 3.892 10.069 ( -0.436 -0.452 0.234) 0.670 10.078 ( -0.810 -1.012 0.813) 1.530 10.189 ( -0.168 0.513 0.506) 0.740 10.193 ( -0.269 0.245 0.231) 0.431 ======================= Grid point 108 (68/84) ======================= q-point: (-0.50 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -8.984 0.826 6.368) 11.042 1.415 ( -6.535 -3.487 5.447) 9.195 1.567 ( -1.884 3.469 -1.985) 4.419 1.608 ( -4.545 2.001 -0.879) 5.043 1.638 ( -1.931 -2.595 -4.227) 5.323 1.650 ( -2.461 -0.929 -2.620) 3.713 1.763 ( -0.478 -0.571 -3.532) 3.609 1.805 ( 2.677 -4.497 -4.041) 6.612 1.957 ( -3.988 3.843 -1.160) 5.658 2.004 ( -2.433 -1.122 -0.131) 2.683 2.017 ( 2.178 3.840 -1.802) 4.768 2.053 ( 1.431 0.822 -1.008) 1.934 2.262 ( -1.830 0.272 3.185) 3.683 2.284 ( -1.219 -1.549 2.202) 2.955 2.327 ( 5.178 0.571 2.978) 6.001 2.337 ( 5.141 -0.769 2.712) 5.863 2.515 ( 0.518 0.129 -0.822) 0.980 2.540 ( 1.862 -1.870 -2.125) 3.388 2.564 ( 1.551 1.611 -0.518) 2.295 2.598 ( 0.720 -1.147 -1.177) 1.794 2.807 ( 1.085 2.190 0.887) 2.600 2.866 ( 0.672 -3.621 0.036) 3.683 3.060 ( 3.148 1.982 2.249) 4.347 3.087 ( 1.527 -0.734 0.275) 1.717 3.096 ( -0.670 1.841 5.475) 5.815 3.158 ( -1.585 -3.450 4.640) 5.995 3.226 ( 0.416 5.109 1.174) 5.259 3.316 ( 0.126 -3.362 1.295) 3.605 3.388 ( -3.157 2.594 0.025) 4.086 3.439 ( -0.174 -2.367 -1.245) 2.680 3.534 ( 2.768 1.362 -5.468) 6.278 3.552 ( 2.152 -0.509 -5.153) 5.607 3.717 ( 0.341 1.445 -1.394) 2.037 3.753 ( 1.251 -1.846 -1.847) 2.895 3.866 ( -2.958 1.502 1.754) 3.753 3.897 ( -0.455 -1.361 0.740) 1.615 4.003 ( -2.071 0.222 0.768) 2.220 4.010 ( -0.796 -0.207 0.146) 0.835 4.160 ( -1.099 1.048 1.059) 1.852 4.190 ( -1.822 -1.281 0.557) 2.296 4.292 ( 0.141 0.492 2.763) 2.810 4.305 ( 3.379 -0.732 0.741) 3.536 4.347 ( 1.982 0.693 -0.635) 2.194 4.363 ( 3.655 -0.653 -1.167) 3.892 4.617 ( 1.332 0.353 -3.398) 3.667 4.621 ( 1.227 0.094 -3.278) 3.501 4.804 ( -2.087 0.834 0.122) 2.250 4.827 ( -5.413 -1.362 -0.425) 5.598 4.906 ( 1.719 2.016 1.664) 3.129 4.942 ( 1.119 -0.596 1.066) 1.656 4.991 ( 0.737 0.202 0.341) 0.837 5.013 ( -2.665 -1.083 -0.233) 2.886 5.482 ( 1.179 1.179 0.740) 1.825 5.508 ( -0.205 -1.235 -0.469) 1.337 5.650 ( 3.410 1.498 2.320) 4.389 5.680 ( 2.640 -1.309 3.075) 4.259 5.854 ( -4.454 1.028 -6.515) 7.959 5.881 ( -4.100 -1.422 -5.241) 6.805 5.953 ( -0.385 0.327 -0.018) 0.505 5.963 ( 0.151 -0.585 -0.037) 0.606 6.274 ( 2.140 1.350 3.980) 4.716 6.305 ( 4.871 -1.362 5.165) 7.230 6.335 ( 0.716 2.685 0.216) 2.788 6.389 ( -1.915 -2.229 -0.077) 2.939 8.391 ( 0.347 0.810 0.363) 0.952 8.411 ( -0.045 -1.099 -0.441) 1.185 8.477 ( 0.079 1.209 -0.267) 1.241 8.499 ( -0.033 -0.944 -1.113) 1.460 8.934 ( -1.413 0.488 2.950) 3.307 8.946 ( -2.015 -0.540 3.225) 3.840 9.094 ( 1.428 0.904 -4.484) 4.792 9.112 ( 1.693 -0.792 -4.735) 5.091 9.622 ( -0.280 0.329 -0.132) 0.451 9.635 ( -0.604 -0.683 -0.606) 1.095 9.653 ( -2.180 0.592 0.548) 2.325 9.669 ( -0.043 -0.622 0.348) 0.714 9.765 ( 1.734 0.708 1.364) 2.317 9.775 ( 0.456 -0.228 1.044) 1.162 9.838 ( -0.475 0.730 0.286) 0.917 9.856 ( -3.400 -0.770 0.120) 3.488 10.066 ( -0.012 0.723 0.495) 0.877 10.086 ( 1.312 -1.065 0.257) 1.709 10.202 ( 1.258 0.135 -0.260) 1.291 10.202 ( 1.209 0.123 -0.056) 1.217 ======================= Grid point 109 (69/84) ======================= q-point: (-0.40 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -9.884 0.939 11.135) 14.918 1.337 ( -9.272 -3.810 8.433) 13.100 1.456 ( -11.720 2.901 2.506) 12.331 1.505 ( -5.326 -1.220 2.017) 5.825 1.576 ( -4.573 0.015 0.931) 4.666 1.605 ( -0.878 -1.870 -0.557) 2.140 1.711 ( -2.625 2.784 -2.460) 4.549 1.801 ( -1.779 -5.330 -1.290) 5.765 1.875 ( -2.714 4.380 -1.396) 5.338 1.945 ( -2.111 -2.492 -0.051) 3.266 2.032 ( 0.083 4.246 0.323) 4.259 2.084 ( 0.974 -0.410 0.496) 1.167 2.195 ( -5.916 1.337 -0.495) 6.085 2.239 ( -4.188 -2.920 -0.351) 5.118 2.383 ( -3.160 1.778 2.655) 4.495 2.415 ( 0.168 -0.900 1.062) 1.402 2.495 ( 0.684 1.283 -3.692) 3.968 2.535 ( 0.480 -2.299 -3.532) 4.241 2.593 ( 1.408 1.062 -0.894) 1.977 2.603 ( 1.612 0.165 -1.922) 2.514 2.838 ( 0.844 0.392 0.991) 1.359 2.852 ( -1.601 -1.055 -1.282) 2.307 3.023 ( -6.160 1.193 1.089) 6.368 3.071 ( -4.652 -2.599 -1.542) 5.547 3.106 ( -1.885 2.114 2.651) 3.879 3.150 ( -4.065 -2.307 3.134) 5.627 3.196 ( -4.206 4.888 -1.386) 6.595 3.289 ( -3.354 -3.725 -0.526) 5.040 3.353 ( -2.409 3.814 1.465) 4.743 3.416 ( -1.705 -2.317 -0.367) 2.900 3.512 ( -1.830 1.206 -2.628) 3.422 3.538 ( -1.091 -1.328 -3.649) 4.033 3.651 ( -13.549 1.732 0.583) 13.672 3.674 ( -5.475 0.124 -1.335) 5.637 3.719 ( -10.805 -1.003 0.009) 10.852 3.748 ( -8.207 -3.626 -0.243) 8.976 3.826 ( -14.975 2.561 0.833) 15.215 3.874 ( -12.344 -1.589 0.983) 12.484 3.999 ( -14.568 0.919 1.400) 14.664 4.040 ( -13.177 -2.204 -0.196) 13.361 4.285 ( -3.396 5.844 -1.882) 7.016 4.378 ( -0.126 -2.616 -0.773) 2.731 4.386 ( 2.293 0.579 -0.715) 2.471 4.411 ( 0.966 -1.125 -0.326) 1.518 4.693 ( 8.158 0.521 -1.489) 8.309 4.706 ( 10.614 -0.721 -1.405) 10.731 4.867 ( 8.815 1.552 1.722) 9.115 4.901 ( 9.965 -1.577 1.687) 10.229 5.001 ( 7.041 1.301 0.546) 7.181 5.019 ( 5.139 0.054 0.440) 5.158 5.043 ( 8.666 0.933 0.072) 8.716 5.083 ( 6.087 -1.676 0.760) 6.359 5.488 ( -1.001 0.005 -0.833) 1.302 5.494 ( -0.342 -0.540 -0.188) 0.666 5.706 ( -2.716 0.766 -5.267) 5.976 5.716 ( 0.396 -0.004 -0.424) 0.580 5.776 ( -0.214 -0.377 2.183) 2.225 5.784 ( -0.159 -0.842 2.505) 2.647 5.928 ( -2.053 0.929 -0.267) 2.270 5.948 ( -1.382 -0.978 -0.453) 1.752 6.277 ( -2.460 2.610 -0.107) 3.588 6.327 ( -3.324 -2.047 -1.442) 4.161 6.384 ( 3.153 2.101 0.460) 3.817 6.430 ( 4.296 -2.093 1.796) 5.105 8.385 ( -1.268 0.276 0.236) 1.319 8.390 ( -1.569 -0.154 -0.861) 1.796 8.470 ( -0.874 0.371 0.195) 0.969 8.479 ( -1.174 -0.501 -1.029) 1.640 8.930 ( -2.529 0.501 3.588) 4.418 8.942 ( -1.850 -0.630 3.443) 3.959 9.077 ( 1.147 0.961 -4.130) 4.393 9.096 ( 1.192 -0.845 -4.231) 4.476 9.581 ( -3.289 0.815 0.307) 3.402 9.603 ( -2.958 -1.218 0.616) 3.257 9.642 ( -0.457 1.513 1.182) 1.974 9.677 ( -0.197 -1.734 0.635) 1.857 9.750 ( -2.769 1.357 -0.086) 3.085 9.776 ( -2.303 -1.061 -0.306) 2.554 9.812 ( -0.957 2.191 1.334) 2.738 9.861 ( 1.213 -2.458 1.727) 3.240 10.087 ( 1.905 2.098 0.611) 2.898 10.126 ( 3.284 -1.546 -0.724) 3.701 10.224 ( 1.955 0.267 -1.233) 2.327 10.229 ( 2.414 -0.194 -1.138) 2.676 ======================= Grid point 110 (70/84) ======================= q-point: (-0.30 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -13.839 0.550 8.817) 16.418 1.246 ( -11.274 -5.475 9.294) 15.603 1.355 ( -6.678 3.676 14.205) 16.121 1.425 ( -7.142 -3.272 6.628) 10.278 1.509 ( -7.063 1.454 2.814) 7.740 1.570 ( -4.204 -2.509 3.093) 5.791 1.649 ( -3.371 4.351 1.784) 5.786 1.736 ( -4.201 -1.481 2.849) 5.287 1.849 ( 0.304 2.293 -2.075) 3.108 1.930 ( -0.157 -3.580 -0.415) 3.607 2.024 ( -1.872 4.631 0.807) 5.060 2.075 ( -3.764 2.161 -2.916) 5.229 2.084 ( -4.044 -0.466 2.384) 4.717 2.145 ( -4.655 -4.495 -3.162) 7.203 2.308 ( -6.582 2.727 2.174) 7.449 2.359 ( -6.102 -2.134 1.350) 6.604 2.453 ( -2.367 0.662 -5.227) 5.776 2.468 ( -3.429 -0.803 -6.685) 7.556 2.574 ( -2.915 2.998 -1.737) 4.528 2.617 ( 0.770 -1.086 0.478) 1.415 2.777 ( -5.098 2.972 -2.696) 6.488 2.823 ( -2.848 -1.677 -2.932) 4.418 2.914 ( -7.091 -1.681 0.722) 7.323 2.928 ( -9.575 -2.048 -1.946) 9.983 3.042 ( -7.365 1.584 -0.265) 7.538 3.070 ( -6.200 4.255 -2.417) 7.899 3.082 ( -5.711 -2.284 -0.049) 6.151 3.176 ( -7.379 -5.326 -3.734) 9.836 3.264 ( -16.674 2.184 -0.228) 16.818 3.296 ( -10.650 0.832 0.565) 10.698 3.337 ( -6.435 3.986 0.894) 7.622 3.442 ( -4.856 -4.017 0.250) 6.307 3.488 ( -14.337 1.864 1.427) 14.528 3.545 ( -12.727 -2.468 1.066) 13.008 3.592 ( 0.225 0.606 0.869) 1.083 3.612 ( -0.937 -0.868 0.073) 1.279 3.650 ( -5.928 2.050 -1.475) 6.444 3.701 ( -7.843 -3.263 -3.068) 9.032 3.798 ( -8.412 1.037 4.885) 9.782 3.820 ( -10.300 -0.771 -0.157) 10.330 4.160 ( -6.146 4.816 -3.697) 8.639 4.244 ( -8.774 -3.256 -3.847) 10.118 4.426 ( 2.023 1.054 0.611) 2.362 4.448 ( 1.907 -0.934 1.007) 2.350 4.850 ( 8.064 2.987 2.740) 9.025 4.913 ( 11.445 -2.826 1.339) 11.864 5.034 ( 7.757 0.684 0.292) 7.793 5.059 ( 7.173 -1.635 -0.862) 7.407 5.135 ( 5.885 2.292 0.581) 6.342 5.157 ( 7.624 0.720 1.333) 7.773 5.181 ( 6.329 0.362 -1.186) 6.450 5.210 ( 9.694 -1.729 0.023) 9.847 5.450 ( -2.568 0.758 -1.934) 3.303 5.470 ( -0.235 -0.730 -2.386) 2.506 5.642 ( 0.266 0.093 -2.426) 2.442 5.659 ( -1.424 -1.470 -2.805) 3.472 5.808 ( -1.315 1.435 4.947) 5.316 5.837 ( -2.380 -1.046 4.794) 5.454 5.918 ( 1.899 0.414 1.956) 2.757 5.931 ( 0.448 -0.728 0.481) 0.981 6.211 ( -3.608 1.227 -2.739) 4.693 6.237 ( -4.318 -1.119 -3.747) 5.825 6.417 ( 1.008 3.657 -1.734) 4.171 6.490 ( 2.154 -3.101 -1.450) 4.045 8.344 ( -2.708 0.507 -0.770) 2.860 8.354 ( -2.595 -0.365 0.313) 2.639 8.440 ( -2.360 0.390 -0.771) 2.514 8.451 ( -1.662 -0.535 0.334) 1.778 8.915 ( -3.230 0.998 4.293) 5.464 8.940 ( -1.992 -1.371 3.417) 4.186 9.060 ( 1.073 0.955 -3.793) 4.056 9.079 ( 0.929 -0.786 -3.657) 3.855 9.529 ( -3.247 0.943 0.837) 3.483 9.552 ( -3.335 -1.146 0.289) 3.538 9.637 ( -1.953 1.378 0.839) 2.533 9.662 ( -2.274 -1.114 0.512) 2.583 9.708 ( -1.577 0.879 0.103) 1.809 9.721 ( -2.276 -0.373 -0.097) 2.309 9.826 ( -0.073 2.780 2.902) 4.020 9.904 ( 1.255 -4.634 3.424) 5.897 10.135 ( 3.051 2.676 -0.143) 4.061 10.170 ( 3.141 -0.896 -2.895) 4.365 10.246 ( 2.437 0.737 -1.926) 3.193 10.265 ( 3.530 -0.984 -1.952) 4.152 ======================= Grid point 111 (71/84) ======================= q-point: (-0.20 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -12.241 1.242 12.626) 17.629 1.142 ( -10.017 -8.836 10.599) 17.052 1.300 ( -12.655 5.818 7.164) 15.663 1.409 ( -7.953 -4.680 8.392) 12.473 1.454 ( -2.146 4.506 12.978) 13.904 1.546 ( -2.334 -2.769 9.192) 9.880 1.643 ( -2.289 3.665 4.687) 6.375 1.707 ( -3.695 -1.048 3.417) 5.141 1.832 ( -0.237 1.985 -1.246) 2.356 1.905 ( -1.962 -2.374 -1.555) 3.450 1.962 ( -5.093 3.384 -1.483) 6.293 1.984 ( -3.415 1.046 -3.149) 4.762 2.035 ( -2.978 -1.582 -2.638) 4.282 2.061 ( -2.256 -3.058 2.139) 4.361 2.204 ( -6.807 4.083 -0.949) 7.994 2.271 ( -5.359 -2.625 0.232) 5.972 2.317 ( -5.475 0.078 -5.168) 7.529 2.325 ( -4.304 -0.543 -6.673) 7.959 2.479 ( -7.887 5.249 1.616) 9.611 2.590 ( -6.820 -5.111 -0.007) 8.523 2.625 ( -7.476 3.417 -3.526) 8.944 2.701 ( -6.982 -2.731 -3.518) 8.282 2.738 ( -6.764 2.309 -3.465) 7.943 2.785 ( -7.136 -2.369 -0.372) 7.528 2.889 ( -8.239 0.490 -1.863) 8.461 2.929 ( -8.917 0.312 -0.330) 8.928 2.963 ( -6.063 0.163 -0.220) 6.069 3.011 ( -6.490 -2.019 -0.340) 6.806 3.069 ( -7.572 0.893 0.941) 7.683 3.115 ( -7.651 -2.211 -2.122) 8.242 3.185 ( -12.298 3.479 -0.900) 12.812 3.239 ( -9.086 1.437 -2.036) 9.421 3.357 ( -6.488 -2.089 -1.267) 6.932 3.406 ( -3.703 -4.182 -6.779) 8.784 3.533 ( -5.055 2.417 1.218) 5.734 3.564 ( -3.260 -0.948 2.356) 4.132 3.645 ( 2.219 2.701 -0.273) 3.506 3.678 ( 4.361 -0.448 0.972) 4.490 3.708 ( -3.813 0.913 3.090) 4.992 3.729 ( -7.470 -1.098 4.497) 8.788 4.068 ( -0.950 0.941 -0.169) 1.348 4.091 ( -4.189 -1.085 -0.946) 4.429 4.462 ( 2.043 0.998 -0.658) 2.367 4.484 ( 1.688 -1.010 -0.218) 1.979 4.982 ( 2.629 4.076 4.519) 6.630 5.070 ( 3.718 -4.099 2.247) 5.973 5.139 ( 2.962 0.805 -2.340) 3.860 5.153 ( 5.831 -0.455 -1.131) 5.957 5.212 ( 5.268 0.938 0.652) 5.391 5.231 ( 4.139 -0.780 -0.111) 4.214 5.314 ( 6.272 1.233 -0.448) 6.408 5.340 ( 4.387 -1.264 -0.453) 4.588 5.400 ( 0.697 2.109 -2.137) 3.082 5.448 ( 0.983 -2.296 -3.497) 4.297 5.645 ( 1.436 0.140 -0.805) 1.652 5.655 ( 2.225 -0.690 -1.016) 2.541 5.808 ( -2.174 0.941 3.309) 4.070 5.823 ( -2.128 -0.174 3.223) 3.866 5.974 ( 1.959 0.421 2.609) 3.290 5.985 ( 1.711 -0.424 2.223) 2.837 6.113 ( -4.011 -0.468 -2.549) 4.775 6.119 ( -4.505 -0.725 -4.474) 6.391 6.380 ( -2.517 4.492 -3.998) 6.519 6.465 ( -2.254 -3.478 -4.982) 6.481 8.293 ( -2.174 0.683 -0.390) 2.312 8.309 ( -2.700 -0.748 0.501) 2.846 8.386 ( -3.227 1.606 -0.287) 3.616 8.419 ( -2.310 -1.433 0.241) 2.730 8.896 ( -3.599 1.351 4.825) 6.169 8.932 ( -2.467 -2.017 3.293) 4.582 9.046 ( 1.173 0.993 -3.670) 3.978 9.065 ( 1.042 -0.784 -3.126) 3.387 9.485 ( -2.820 0.495 0.799) 2.972 9.496 ( -3.062 -0.229 0.068) 3.071 9.584 ( -3.468 1.412 -0.601) 3.793 9.608 ( -3.213 -0.922 -1.357) 3.607 9.706 ( -0.168 0.399 2.701) 2.736 9.713 ( -0.110 -0.298 1.550) 1.582 9.861 ( 0.491 3.775 4.045) 5.554 9.965 ( 1.566 -6.230 4.228) 7.690 10.169 ( 1.935 1.070 -2.903) 3.650 10.171 ( 1.165 0.397 -4.820) 4.975 10.288 ( 4.525 1.746 -1.334) 5.030 10.320 ( 4.885 -1.077 -2.450) 5.570 ======================= Grid point 112 (72/84) ======================= q-point: (-0.10 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -7.872 2.428 14.904) 17.029 1.109 ( -5.078 -8.935 11.948) 15.760 1.190 ( -7.495 8.021 11.651) 16.008 1.345 ( -6.158 -6.733 7.594) 11.871 1.513 ( -3.904 3.598 4.572) 7.006 1.560 ( -5.498 -0.050 2.797) 6.169 1.635 ( -6.784 0.110 4.185) 7.972 1.669 ( -0.461 -1.886 7.947) 8.180 1.816 ( -4.565 3.554 -3.716) 6.876 1.852 ( -2.754 1.155 -3.650) 4.716 1.853 ( 0.169 1.734 2.255) 2.850 1.915 ( -1.020 -2.881 -0.487) 3.095 1.988 ( -0.724 1.994 -4.450) 4.930 2.034 ( -2.395 -0.516 -0.109) 2.452 2.065 ( -4.734 0.163 -7.045) 8.490 2.135 ( -2.557 -3.571 -5.202) 6.808 2.238 ( -1.335 1.534 -2.016) 2.863 2.272 ( 0.043 -1.368 -1.058) 1.730 2.342 ( -8.006 5.086 1.702) 9.637 2.438 ( -7.235 -3.245 1.361) 8.046 2.532 ( -2.350 1.509 2.766) 3.931 2.565 ( -4.242 0.708 1.207) 4.467 2.665 ( -3.167 -1.012 -1.301) 3.570 2.689 ( -2.416 -2.585 -2.186) 4.159 2.745 ( -5.638 2.608 -2.509) 6.700 2.816 ( -4.366 0.482 0.971) 4.499 2.875 ( -3.781 -1.253 -2.410) 4.656 2.927 ( -3.893 -3.124 0.776) 5.052 2.973 ( -5.565 1.900 -3.177) 6.684 2.983 ( -2.877 0.699 0.265) 2.973 3.025 ( -5.235 0.964 0.312) 5.332 3.100 ( -5.213 -4.305 0.424) 6.774 3.253 ( -1.887 0.934 -6.614) 6.941 3.277 ( -1.239 -0.740 -9.083) 9.197 3.435 ( -6.229 4.757 -1.582) 7.996 3.521 ( -7.194 -3.629 0.757) 8.093 3.630 ( -3.168 2.299 2.824) 4.827 3.672 ( 0.962 -1.805 2.625) 3.328 3.749 ( 2.491 1.637 3.453) 4.562 3.775 ( 4.284 -0.783 2.506) 5.025 4.105 ( 2.217 1.293 4.683) 5.340 4.127 ( 4.108 -0.800 4.318) 6.014 4.480 ( 1.467 0.807 -2.539) 3.041 4.498 ( 1.068 -0.800 -2.361) 2.712 5.015 ( -2.465 3.207 3.305) 5.223 5.095 ( -2.373 -3.986 1.288) 4.815 5.138 ( 1.422 2.689 -2.030) 3.657 5.193 ( 1.833 -2.182 -1.011) 3.024 5.316 ( 2.613 0.778 -0.835) 2.852 5.334 ( 3.630 -1.005 1.016) 3.901 5.356 ( 4.599 0.622 -0.273) 4.649 5.375 ( 2.081 -1.237 -2.090) 3.199 5.441 ( 3.750 2.173 -0.354) 4.349 5.475 ( 3.651 -1.213 -0.685) 3.907 5.666 ( 0.797 0.789 -0.270) 1.154 5.683 ( 1.234 -0.795 -0.651) 1.606 5.799 ( -1.412 1.286 1.015) 2.163 5.828 ( -0.258 -1.127 1.421) 1.832 5.948 ( -2.392 2.322 -3.807) 5.060 6.001 ( 0.064 -2.405 -4.024) 4.689 6.050 ( -0.654 1.967 2.464) 3.220 6.099 ( 0.550 -2.779 3.490) 4.495 6.268 ( -5.133 2.801 -4.065) 7.121 6.319 ( -7.973 -2.086 -6.335) 10.395 8.276 ( 0.585 0.702 -0.236) 0.943 8.289 ( 0.523 0.003 0.168) 0.549 8.333 ( -2.272 1.660 0.053) 2.815 8.376 ( -2.614 -1.999 -0.093) 3.292 8.879 ( -3.493 1.380 5.168) 6.389 8.915 ( -2.758 -2.050 3.487) 4.896 9.037 ( 1.669 1.172 -3.653) 4.183 9.060 ( 1.541 -0.913 -3.024) 3.515 9.443 ( -2.159 1.060 0.835) 2.545 9.462 ( -1.566 -0.713 0.759) 1.880 9.523 ( -2.650 1.174 -0.612) 2.962 9.545 ( -2.299 -0.863 -1.514) 2.885 9.735 ( 0.731 -0.077 2.105) 2.230 9.737 ( 0.462 -0.256 3.100) 3.145 9.905 ( 0.137 4.538 3.904) 5.988 10.016 ( 0.381 -5.958 2.315) 6.403 10.138 ( 0.585 1.028 -4.853) 4.996 10.159 ( 0.571 -0.587 -3.334) 3.433 10.361 ( 4.508 1.115 -2.121) 5.106 10.374 ( 3.803 -0.078 -3.335) 5.059 ======================= Grid point 123 (73/84) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -5.369 0.000 -8.289) 9.876 1.260 ( 5.369 0.000 8.289) 9.876 1.387 ( 1.533 0.000 -0.650) 1.665 1.387 ( -1.533 0.000 0.650) 1.665 1.515 ( -4.774 0.000 -2.503) 5.390 1.515 ( 4.774 0.000 2.503) 5.390 1.605 ( -0.204 0.000 -2.508) 2.517 1.605 ( 0.204 0.000 2.508) 2.517 1.706 ( 3.483 0.000 -5.703) 6.682 1.706 ( -3.483 0.000 5.703) 6.682 1.867 ( -1.250 0.000 -3.157) 3.395 1.867 ( 1.250 0.000 3.157) 3.395 1.929 ( 0.148 0.000 -3.266) 3.270 1.929 ( -0.148 0.000 3.266) 3.270 2.029 ( 2.352 0.000 -1.933) 3.044 2.029 ( -2.352 0.000 1.933) 3.044 2.243 ( -0.628 0.000 -4.570) 4.613 2.243 ( 0.628 0.000 4.570) 4.613 2.376 ( -3.097 0.000 -6.776) 7.450 2.376 ( 3.097 0.000 6.776) 7.450 2.563 ( -0.656 0.000 -2.152) 2.250 2.563 ( 0.656 0.000 2.152) 2.250 2.610 ( -3.972 0.000 -0.495) 4.003 2.610 ( 3.972 0.000 0.495) 4.003 2.712 ( 1.216 0.000 -3.102) 3.332 2.712 ( -1.216 0.000 3.102) 3.332 2.845 ( -4.353 0.000 -2.355) 4.949 2.845 ( 4.353 0.000 2.355) 4.949 2.984 ( 2.792 0.000 -2.043) 3.460 2.984 ( -2.792 0.000 2.043) 3.460 3.069 ( -4.569 0.000 -3.163) 5.557 3.069 ( 4.569 0.000 3.163) 5.557 3.092 ( 1.355 0.000 -1.919) 2.349 3.092 ( -1.355 0.000 1.919) 2.349 3.356 ( -4.327 0.000 -2.556) 5.026 3.356 ( 4.327 0.000 2.556) 5.026 3.757 ( 2.668 0.000 -5.682) 6.278 3.757 ( -2.668 0.000 5.682) 6.278 3.828 ( 2.242 0.000 -2.572) 3.412 3.828 ( -2.242 0.000 2.572) 3.412 4.287 ( 1.195 0.000 -2.569) 2.833 4.287 ( -1.195 0.000 2.569) 2.834 4.382 ( -0.459 0.000 -0.763) 0.891 4.382 ( 0.459 0.000 0.763) 0.891 5.010 ( 3.344 0.000 -3.329) 4.719 5.010 ( -3.344 0.000 3.329) 4.719 5.216 ( 0.895 0.000 -2.344) 2.509 5.216 ( -0.895 0.000 2.344) 2.509 5.325 ( -1.391 0.000 -1.139) 1.798 5.325 ( 1.391 0.000 1.139) 1.798 5.395 ( -0.298 0.000 -0.360) 0.467 5.395 ( 0.298 0.000 0.360) 0.467 5.508 ( -2.379 0.000 -0.862) 2.530 5.508 ( 2.379 0.000 0.862) 2.530 5.673 ( -1.342 0.000 -0.400) 1.400 5.673 ( 1.342 0.000 0.400) 1.400 5.757 ( -1.348 0.000 -0.920) 1.633 5.757 ( 1.348 0.000 0.921) 1.633 5.954 ( -5.321 0.000 -0.560) 5.351 5.954 ( 5.321 0.000 0.560) 5.351 6.037 ( -7.947 0.000 -0.283) 7.952 6.037 ( 7.947 0.000 0.283) 7.952 6.210 ( -1.314 0.000 0.207) 1.330 6.210 ( 1.314 0.000 -0.207) 1.330 8.267 ( 2.752 0.000 -1.637) 3.202 8.267 ( -2.752 0.000 1.637) 3.202 8.355 ( -3.132 0.000 0.505) 3.172 8.355 ( 3.132 0.000 -0.505) 3.172 8.948 ( 3.353 0.000 -4.302) 5.454 8.948 ( -3.353 0.000 4.302) 5.454 9.002 ( 1.302 0.000 -3.604) 3.832 9.002 ( -1.302 0.000 3.604) 3.832 9.469 ( 0.106 0.000 -1.350) 1.354 9.469 ( -0.106 0.000 1.350) 1.354 9.480 ( -0.164 0.000 -0.854) 0.870 9.480 ( 0.164 0.000 0.854) 0.870 9.801 ( -0.805 0.000 -0.386) 0.893 9.801 ( 0.805 0.000 0.386) 0.893 9.951 ( 0.373 0.000 -4.132) 4.149 9.951 ( -0.373 0.000 4.132) 4.149 10.134 ( -0.558 0.000 -1.404) 1.511 10.134 ( 0.558 0.000 1.404) 1.511 10.342 ( -0.454 0.000 -0.164) 0.483 10.342 ( 0.454 0.000 0.164) 0.483 ======================= Grid point 125 (74/84) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 8.813 0.000 -8.665) 12.359 1.356 ( -1.379 0.000 -7.110) 7.242 1.419 ( 7.522 0.000 -2.667) 7.981 1.421 ( 7.061 0.000 -3.951) 8.092 1.578 ( 0.782 0.000 0.628) 1.003 1.608 ( 13.152 0.000 2.811) 13.449 1.617 ( 5.768 0.000 -2.239) 6.187 1.664 ( 0.447 0.000 6.797) 6.811 1.756 ( 5.550 0.000 -5.294) 7.670 1.801 ( 5.892 0.000 5.521) 8.075 1.842 ( 0.893 0.000 -0.131) 0.902 1.893 ( -0.236 0.000 0.132) 0.271 1.936 ( -0.666 0.000 -0.502) 0.834 1.948 ( 3.569 0.000 1.630) 3.923 2.036 ( -0.658 0.000 5.068) 5.110 2.082 ( 5.446 0.000 0.696) 5.490 2.253 ( -1.787 0.000 -3.182) 3.650 2.259 ( 7.145 0.000 -0.888) 7.200 2.318 ( 2.903 0.000 -1.955) 3.500 2.481 ( 4.762 0.000 2.227) 5.257 2.544 ( 0.520 0.000 -2.906) 2.952 2.590 ( 0.712 0.000 0.073) 0.716 2.617 ( 5.560 0.000 3.188) 6.409 2.709 ( 6.024 0.000 0.601) 6.054 2.769 ( 6.092 0.000 -0.225) 6.096 2.788 ( 4.007 0.000 0.199) 4.012 2.812 ( 3.786 0.000 2.277) 4.418 2.962 ( -0.302 0.000 0.758) 0.816 2.977 ( 8.604 0.000 0.693) 8.632 2.999 ( 0.806 0.000 -2.529) 2.655 3.012 ( 2.962 0.000 -2.187) 3.682 3.092 ( -0.225 0.000 2.798) 2.807 3.127 ( 3.221 0.000 1.405) 3.514 3.217 ( 8.785 0.000 2.849) 9.235 3.343 ( 3.935 0.000 -0.606) 3.981 3.527 ( 10.627 0.000 4.477) 11.532 3.738 ( 2.485 0.000 -8.031) 8.407 3.738 ( -2.812 0.000 0.428) 2.844 3.789 ( -3.256 0.000 0.106) 3.258 3.818 ( 0.686 0.000 -4.821) 4.869 4.222 ( -4.633 0.000 -3.740) 5.954 4.232 ( -0.900 0.000 -7.759) 7.811 4.377 ( -2.966 0.000 5.420) 6.178 4.411 ( -1.284 0.000 6.191) 6.323 5.008 ( -1.129 0.000 4.874) 5.003 5.049 ( 3.386 0.000 -2.567) 4.249 5.190 ( -1.242 0.000 -2.637) 2.914 5.201 ( -2.546 0.000 1.136) 2.788 5.291 ( -2.347 0.000 0.340) 2.371 5.354 ( -0.347 0.000 1.265) 1.312 5.362 ( -2.816 0.000 -0.336) 2.836 5.364 ( -3.549 0.000 -0.175) 3.553 5.422 ( -5.103 0.000 -1.803) 5.413 5.490 ( -4.065 0.000 -0.654) 4.117 5.651 ( -1.167 0.000 0.660) 1.341 5.678 ( -1.265 0.000 0.488) 1.356 5.767 ( 1.707 0.000 2.416) 2.958 5.822 ( 3.292 0.000 3.218) 4.603 5.890 ( -1.221 0.000 -0.262) 1.249 5.955 ( -2.397 0.000 1.947) 3.088 6.057 ( 5.037 0.000 -0.268) 5.044 6.188 ( 4.759 0.000 -0.172) 4.762 6.193 ( -0.092 0.000 -0.098) 0.134 6.248 ( 6.020 0.000 0.855) 6.080 8.250 ( -0.441 0.000 0.982) 1.076 8.308 ( 3.693 0.000 -2.134) 4.265 8.327 ( 0.074 0.000 -0.060) 0.096 8.409 ( 3.552 0.000 -1.166) 3.739 8.940 ( -2.007 0.000 4.249) 4.699 8.973 ( 3.974 0.000 -4.700) 6.155 8.999 ( 2.311 0.000 -3.653) 4.323 9.012 ( -1.063 0.000 2.986) 3.170 9.463 ( 1.566 0.000 -2.017) 2.554 9.485 ( 1.580 0.000 -0.100) 1.583 9.502 ( 2.317 0.000 0.397) 2.351 9.516 ( 2.180 0.000 1.726) 2.780 9.773 ( -1.185 0.000 -1.477) 1.894 9.801 ( -0.293 0.000 -1.498) 1.526 9.920 ( -0.441 0.000 -3.102) 3.134 9.985 ( -0.658 0.000 5.381) 5.422 10.118 ( -0.032 0.000 -0.697) 0.698 10.152 ( -0.006 0.000 1.058) 1.058 10.311 ( -3.528 0.000 1.620) 3.882 10.320 ( -3.564 0.000 0.768) 3.645 ======================= Grid point 126 (75/84) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 4.589 0.000 -9.998) 11.001 1.362 ( 14.247 0.000 -5.876) 15.411 1.498 ( 7.218 0.000 -6.194) 9.512 1.503 ( 6.982 0.000 -9.181) 11.534 1.629 ( 2.254 0.000 0.956) 2.448 1.633 ( 0.659 0.000 -6.975) 7.006 1.700 ( 0.632 0.000 2.104) 2.197 1.765 ( 2.520 0.000 -1.202) 2.792 1.822 ( 4.569 0.000 -0.412) 4.587 1.883 ( 1.584 0.000 0.372) 1.627 1.888 ( 4.521 0.000 -1.581) 4.789 1.942 ( 1.867 0.000 1.609) 2.464 1.963 ( 3.348 0.000 6.043) 6.908 2.074 ( 0.609 0.000 3.462) 3.515 2.095 ( 10.943 0.000 3.969) 11.640 2.202 ( 1.499 0.000 4.422) 4.670 2.265 ( 9.233 0.000 -1.610) 9.372 2.369 ( 6.385 0.000 -5.164) 8.211 2.431 ( 7.917 0.000 2.705) 8.366 2.584 ( 1.447 0.000 -1.824) 2.328 2.589 ( 5.759 0.000 1.587) 5.974 2.630 ( 10.400 0.000 0.929) 10.441 2.770 ( 1.276 0.000 -1.906) 2.294 2.789 ( 7.351 0.000 5.871) 9.408 2.860 ( 7.374 0.000 -0.364) 7.383 2.906 ( 9.551 0.000 -0.198) 9.553 2.970 ( 9.527 0.000 1.397) 9.629 3.015 ( 4.901 0.000 2.749) 5.619 3.061 ( 5.533 0.000 -1.300) 5.684 3.094 ( 11.014 0.000 -0.678) 11.035 3.135 ( 7.185 0.000 0.847) 7.235 3.160 ( 7.791 0.000 2.842) 8.294 3.255 ( 8.268 0.000 6.207) 10.339 3.422 ( 11.528 0.000 3.139) 11.948 3.449 ( 8.127 0.000 -0.833) 8.170 3.651 ( -3.709 0.000 0.063) 3.710 3.688 ( -2.824 0.000 -0.918) 2.969 3.709 ( 2.977 0.000 -8.268) 8.788 3.782 ( 1.149 0.000 -5.122) 5.249 3.827 ( 13.381 0.000 -2.031) 13.534 4.109 ( -3.044 0.000 -4.059) 5.074 4.154 ( 0.377 0.000 -6.351) 6.362 4.378 ( -2.943 0.000 6.213) 6.875 4.440 ( -1.506 0.000 5.305) 5.515 5.039 ( -2.050 0.000 -4.835) 5.252 5.041 ( -1.196 0.000 4.649) 4.801 5.130 ( -4.223 0.000 0.087) 4.224 5.147 ( -4.976 0.000 0.432) 4.995 5.232 ( -8.377 0.000 -1.797) 8.567 5.236 ( -3.422 0.000 -0.644) 3.482 5.302 ( -6.999 0.000 0.502) 7.017 5.348 ( 1.107 0.000 -0.194) 1.123 5.356 ( -4.055 0.000 0.813) 4.136 5.413 ( -2.877 0.000 1.642) 3.313 5.633 ( -1.173 0.000 0.340) 1.222 5.648 ( -2.164 0.000 0.229) 2.177 5.834 ( 3.033 0.000 1.160) 3.247 5.872 ( 1.953 0.000 -1.449) 2.432 5.937 ( 3.080 0.000 4.225) 5.229 5.975 ( 0.925 0.000 3.684) 3.799 6.082 ( 0.931 0.000 -2.974) 3.116 6.190 ( 0.519 0.000 -4.179) 4.211 6.237 ( 2.351 0.000 4.046) 4.680 6.395 ( 4.851 0.000 4.358) 6.521 8.272 ( 1.968 0.000 0.674) 2.080 8.351 ( 3.472 0.000 -2.169) 4.094 8.357 ( 2.790 0.000 0.455) 2.827 8.451 ( 2.595 0.000 -1.252) 2.881 8.951 ( -1.123 0.000 4.060) 4.213 8.995 ( 3.816 0.000 -5.432) 6.639 9.014 ( 2.670 0.000 -3.374) 4.303 9.018 ( -1.209 0.000 2.717) 2.974 9.494 ( 3.522 0.000 -0.883) 3.631 9.517 ( 2.652 0.000 -1.206) 2.913 9.557 ( 3.303 0.000 0.695) 3.375 9.581 ( 3.429 0.000 1.638) 3.801 9.742 ( -0.770 0.000 -1.268) 1.484 9.770 ( -0.888 0.000 -2.559) 2.708 9.880 ( -1.123 0.000 -2.520) 2.759 10.018 ( -1.602 0.000 5.351) 5.586 10.118 ( 0.093 0.000 -0.190) 0.211 10.148 ( -1.094 0.000 0.070) 1.096 10.248 ( -4.437 0.000 0.371) 4.452 10.262 ( -4.166 0.000 2.756) 4.995 ======================= Grid point 127 (76/84) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 9.227 0.000 -7.333) 11.786 1.470 ( 3.647 0.000 -8.548) 9.293 1.547 ( 5.280 0.000 -5.708) 7.776 1.591 ( 9.481 0.000 -5.897) 11.165 1.611 ( -3.538 0.000 -0.425) 3.563 1.630 ( 7.964 0.000 -3.940) 8.885 1.682 ( 1.494 0.000 -7.438) 7.587 1.761 ( 0.639 0.000 -4.321) 4.368 1.884 ( 1.250 0.000 3.189) 3.426 1.901 ( -0.128 0.000 1.019) 1.027 1.970 ( 0.919 0.000 -0.160) 0.933 1.999 ( 6.359 0.000 1.071) 6.448 2.094 ( 3.755 0.000 3.558) 5.173 2.142 ( 5.180 0.000 3.757) 6.399 2.266 ( 4.655 0.000 3.149) 5.620 2.289 ( 3.146 0.000 7.986) 8.583 2.408 ( 5.660 0.000 -2.333) 6.122 2.441 ( 6.618 0.000 -4.298) 7.891 2.527 ( 2.130 0.000 0.364) 2.161 2.597 ( 0.581 0.000 2.990) 3.046 2.741 ( 7.392 0.000 4.547) 8.678 2.745 ( 2.026 0.000 -2.958) 3.586 2.871 ( 9.455 0.000 3.050) 9.934 2.948 ( 5.485 0.000 4.361) 7.008 2.984 ( 6.749 0.000 -0.662) 6.781 3.031 ( 5.878 0.000 -0.707) 5.921 3.136 ( 4.340 0.000 5.720) 7.180 3.178 ( 7.328 0.000 -0.459) 7.342 3.204 ( 15.170 0.000 0.386) 15.175 3.305 ( 10.134 0.000 1.270) 10.213 3.314 ( 15.784 0.000 -3.617) 16.193 3.405 ( 17.566 0.000 2.381) 17.726 3.479 ( 8.360 0.000 4.115) 9.318 3.546 ( -3.540 0.000 0.001) 3.540 3.581 ( 7.636 0.000 -0.309) 7.643 3.614 ( -0.673 0.000 -0.340) 0.754 3.703 ( 11.818 0.000 1.113) 11.870 3.725 ( 7.856 0.000 -3.916) 8.778 3.808 ( 7.684 0.000 -4.112) 8.715 3.987 ( 8.575 0.000 -9.575) 12.853 4.082 ( 3.371 0.000 -1.392) 3.647 4.206 ( 8.347 0.000 2.760) 8.791 4.381 ( -2.302 0.000 4.170) 4.763 4.445 ( -2.204 0.000 2.576) 3.390 4.893 ( -9.093 0.000 -3.916) 9.900 4.961 ( -12.407 0.000 -0.705) 12.427 5.042 ( -6.685 0.000 -0.349) 6.694 5.043 ( -5.117 0.000 1.425) 5.311 5.100 ( -6.674 0.000 0.470) 6.690 5.155 ( -9.287 0.000 -0.326) 9.293 5.167 ( -4.161 0.000 -0.121) 4.163 5.231 ( -9.727 0.000 0.049) 9.727 5.416 ( 4.963 0.000 1.245) 5.116 5.418 ( 0.125 0.000 2.543) 2.546 5.617 ( -1.768 0.000 0.548) 1.851 5.635 ( 0.827 0.000 1.324) 1.561 5.879 ( 2.611 0.000 -2.189) 3.407 5.899 ( 2.992 0.000 -1.915) 3.553 5.968 ( -1.718 0.000 -2.934) 3.400 5.986 ( -0.808 0.000 -0.910) 1.217 6.144 ( 4.629 0.000 5.567) 7.240 6.178 ( 2.295 0.000 -1.084) 2.538 6.303 ( 0.424 0.000 4.389) 4.409 6.470 ( 0.083 0.000 3.150) 3.151 8.321 ( 2.698 0.000 0.677) 2.781 8.386 ( 2.503 0.000 -1.866) 3.122 8.414 ( 2.620 0.000 0.996) 2.803 8.477 ( 1.689 0.000 -1.197) 2.071 8.969 ( -0.977 0.000 3.855) 3.977 9.008 ( 3.133 0.000 -5.261) 6.123 9.021 ( -1.337 0.000 3.033) 3.315 9.024 ( 2.338 0.000 -3.919) 4.563 9.552 ( 2.877 0.000 -1.726) 3.356 9.560 ( 4.009 0.000 0.128) 4.011 9.621 ( 3.363 0.000 0.345) 3.381 9.656 ( 3.352 0.000 1.304) 3.596 9.728 ( 0.077 0.000 -0.169) 0.186 9.733 ( -0.697 0.000 -2.138) 2.249 9.843 ( -0.745 0.000 -1.852) 1.997 10.003 ( -3.783 0.000 1.231) 3.978 10.112 ( -1.088 0.000 1.277) 1.677 10.120 ( -1.666 0.000 -0.665) 1.794 10.203 ( -1.581 0.000 1.342) 2.074 10.223 ( -3.022 0.000 2.575) 3.970 ======================= Grid point 128 (77/84) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 8.111 0.000 -2.548) 8.502 1.478 ( 4.419 0.000 -4.182) 6.084 1.521 ( 1.801 0.000 -8.127) 8.324 1.542 ( -4.493 0.000 2.114) 4.965 1.647 ( -0.330 0.000 -3.441) 3.457 1.649 ( 1.297 0.000 -5.496) 5.647 1.765 ( 6.494 0.000 -0.421) 6.507 1.775 ( 7.862 0.000 -5.415) 9.546 1.895 ( -0.915 0.000 0.029) 0.916 1.910 ( -1.701 0.000 3.307) 3.719 1.980 ( 0.897 0.000 -0.330) 0.956 2.063 ( -0.651 0.000 0.205) 0.683 2.187 ( 7.043 0.000 0.235) 7.047 2.280 ( 6.001 0.000 2.171) 6.382 2.373 ( 0.820 0.000 7.204) 7.251 2.385 ( 0.038 0.000 4.650) 4.650 2.430 ( 2.529 0.000 -4.009) 4.740 2.489 ( 2.621 0.000 -0.687) 2.710 2.543 ( -0.776 0.000 0.778) 1.099 2.609 ( -1.176 0.000 -0.904) 1.483 2.786 ( 2.401 0.000 3.365) 4.134 2.865 ( 3.115 0.000 -0.272) 3.127 3.014 ( 4.446 0.000 2.562) 5.131 3.067 ( 4.762 0.000 3.384) 5.842 3.086 ( 5.997 0.000 -1.291) 6.134 3.103 ( 2.145 0.000 0.077) 2.146 3.256 ( 2.449 0.000 6.592) 7.032 3.285 ( 5.997 0.000 -3.458) 6.922 3.363 ( 6.016 0.000 -4.180) 7.325 3.418 ( 1.385 0.000 0.615) 1.515 3.480 ( -3.374 0.000 2.463) 4.177 3.496 ( 1.970 0.000 -2.022) 2.823 3.657 ( 6.355 0.000 -0.427) 6.370 3.667 ( 18.977 0.000 -1.016) 19.004 3.692 ( 3.129 0.000 2.188) 3.818 3.759 ( 18.043 0.000 0.865) 18.064 3.901 ( 6.511 0.000 2.026) 6.819 3.906 ( 13.100 0.000 -4.067) 13.717 4.005 ( 13.696 0.000 3.266) 14.080 4.069 ( 12.158 0.000 -6.995) 14.026 4.185 ( 8.041 0.000 0.101) 8.042 4.348 ( -0.009 0.000 3.185) 3.185 4.378 ( 0.042 0.000 1.973) 1.974 4.404 ( -4.271 0.000 0.639) 4.318 4.693 ( -9.842 0.000 -1.827) 10.010 4.713 ( -13.020 0.000 -1.259) 13.081 4.883 ( -9.182 0.000 -1.255) 9.268 4.951 ( -7.615 0.000 -0.256) 7.619 4.998 ( -3.420 0.000 0.811) 3.515 4.999 ( -7.442 0.000 -0.915) 7.498 5.037 ( -11.505 0.000 0.264) 11.508 5.096 ( -4.446 0.000 0.485) 4.473 5.453 ( 1.476 0.000 1.856) 2.372 5.505 ( 2.815 0.000 0.232) 2.825 5.610 ( 0.883 0.000 2.322) 2.484 5.684 ( 2.470 0.000 2.817) 3.747 5.840 ( -2.659 0.000 -5.687) 6.278 5.906 ( -3.668 0.000 -5.377) 6.509 5.938 ( 2.816 0.000 -1.247) 3.079 5.953 ( 1.046 0.000 0.335) 1.098 6.240 ( 3.732 0.000 0.932) 3.847 6.281 ( 5.049 0.000 4.643) 6.859 6.326 ( -1.589 0.000 3.203) 3.575 6.463 ( -2.759 0.000 0.858) 2.890 8.368 ( 1.887 0.000 0.770) 2.038 8.402 ( 1.081 0.000 -1.424) 1.788 8.459 ( 1.431 0.000 1.169) 1.848 8.488 ( 0.851 0.000 -1.193) 1.466 8.985 ( -1.137 0.000 3.803) 3.969 9.008 ( 1.950 0.000 -4.438) 4.847 9.026 ( -1.634 0.000 3.651) 4.000 9.028 ( 2.477 0.000 -4.489) 5.127 9.586 ( 2.503 0.000 -1.066) 2.720 9.622 ( 2.741 0.000 0.052) 2.741 9.654 ( 0.442 0.000 -1.238) 1.315 9.691 ( -0.375 0.000 0.548) 0.664 9.733 ( 2.201 0.000 0.341) 2.227 9.763 ( 3.009 0.000 1.474) 3.351 9.820 ( -0.294 0.000 -1.404) 1.435 9.930 ( -4.039 0.000 -1.354) 4.260 10.088 ( -0.770 0.000 -1.003) 1.265 10.100 ( -2.108 0.000 2.071) 2.955 10.198 ( -0.562 0.000 0.935) 1.090 10.203 ( -1.408 0.000 1.465) 2.032 ======================= Grid point 129 (78/84) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 3.225 0.000 -5.642) 6.498 1.501 ( -3.225 0.000 5.642) 6.498 1.529 ( 2.740 0.000 -1.965) 3.372 1.529 ( -2.740 0.000 1.965) 3.372 1.614 ( -1.588 0.000 0.361) 1.629 1.614 ( 1.588 0.000 -0.361) 1.629 1.832 ( 0.223 0.000 -2.381) 2.391 1.832 ( -0.223 0.000 2.381) 2.391 1.892 ( 2.611 0.000 -2.235) 3.437 1.892 ( -2.611 0.000 2.235) 3.437 2.015 ( -3.243 0.000 -0.444) 3.274 2.015 ( 3.244 0.000 0.444) 3.274 2.318 ( -7.378 0.000 0.767) 7.417 2.318 ( 7.378 0.000 -0.767) 7.417 2.373 ( 4.441 0.000 -1.760) 4.777 2.373 ( -4.441 0.000 1.760) 4.777 2.502 ( -4.873 0.000 0.932) 4.962 2.502 ( 4.873 0.000 -0.932) 4.962 2.553 ( -2.520 0.000 -3.457) 4.278 2.553 ( 2.520 0.000 3.457) 4.278 2.855 ( -0.794 0.000 -4.417) 4.487 2.855 ( 0.794 0.000 4.417) 4.487 3.088 ( -1.675 0.000 -2.117) 2.699 3.088 ( 1.675 0.000 2.117) 2.699 3.142 ( 1.111 0.000 -2.014) 2.300 3.142 ( -1.111 0.000 2.014) 2.300 3.311 ( 1.768 0.000 -4.452) 4.791 3.311 ( -1.768 0.000 4.452) 4.791 3.408 ( 3.774 0.000 -3.465) 5.124 3.408 ( -3.774 0.000 3.465) 5.124 3.480 ( -0.196 0.000 -2.264) 2.272 3.480 ( 0.196 0.000 2.264) 2.272 3.726 ( 1.843 0.000 -2.524) 3.125 3.726 ( -1.843 0.000 2.524) 3.125 3.903 ( 4.432 0.000 -1.719) 4.753 3.903 ( -4.432 0.000 1.719) 4.753 4.015 ( -0.809 0.000 -0.670) 1.050 4.015 ( 0.809 0.000 0.670) 1.050 4.174 ( 0.143 0.000 -2.292) 2.297 4.174 ( -0.143 0.000 2.292) 2.297 4.318 ( -3.018 0.000 -0.040) 3.018 4.318 ( 3.018 0.000 0.040) 3.018 4.343 ( 2.993 0.000 -1.184) 3.219 4.343 ( -2.993 0.000 1.184) 3.219 4.579 ( 0.136 0.000 -0.487) 0.506 4.579 ( -0.136 0.000 0.487) 0.506 4.814 ( -3.412 0.000 -1.504) 3.729 4.814 ( 3.412 0.000 1.504) 3.729 4.921 ( 1.269 0.000 -1.626) 2.062 4.921 ( -1.269 0.000 1.626) 2.062 5.020 ( -3.879 0.000 -0.403) 3.900 5.020 ( 3.879 0.000 0.403) 3.900 5.497 ( -1.601 0.000 -1.363) 2.103 5.497 ( 1.601 0.000 1.363) 2.103 5.699 ( -3.499 0.000 -4.136) 5.418 5.699 ( 3.499 0.000 4.136) 5.418 5.799 ( -2.535 0.000 -4.145) 4.858 5.799 ( 2.535 0.000 4.145) 4.858 5.963 ( 0.816 0.000 -0.681) 1.063 5.963 ( -0.816 0.000 0.681) 1.063 6.301 ( -3.034 0.000 0.952) 3.180 6.301 ( 3.034 0.000 -0.952) 3.180 6.396 ( -4.301 0.000 -1.927) 4.713 6.396 ( 4.301 0.000 1.927) 4.713 8.397 ( -0.470 0.000 -1.016) 1.120 8.397 ( 0.470 0.000 1.016) 1.120 8.484 ( -0.201 0.000 -1.200) 1.217 8.484 ( 0.201 0.000 1.200) 1.217 8.998 ( 1.392 0.000 -3.981) 4.217 8.998 ( -1.392 0.000 3.981) 4.217 9.029 ( 2.136 0.000 -4.239) 4.746 9.029 ( -2.136 0.000 4.239) 4.746 9.619 ( -1.741 0.000 -0.241) 1.758 9.619 ( 1.741 0.000 0.241) 1.758 9.674 ( -2.034 0.000 0.543) 2.105 9.674 ( 2.034 0.000 -0.543) 2.105 9.781 ( -1.922 0.000 -0.644) 2.027 9.781 ( 1.922 0.000 0.644) 2.027 9.849 ( -3.805 0.000 -1.246) 4.004 9.849 ( 3.805 0.000 1.246) 4.004 10.083 ( 1.352 0.000 -1.392) 1.940 10.083 ( -1.352 0.000 1.392) 1.940 10.198 ( 0.129 0.000 -0.135) 0.186 10.198 ( -0.129 0.000 0.135) 0.186 ======================= Grid point 135 (79/84) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -2.702 0.006 -3.997) 4.825 1.261 ( 2.702 0.006 3.997) 4.825 1.373 ( -0.645 -0.951 -0.145) 1.158 1.373 ( 0.645 -0.951 0.145) 1.158 1.494 ( -0.219 -0.480 -1.517) 1.606 1.494 ( 0.219 -0.480 1.517) 1.606 1.626 ( -0.276 -0.090 -2.908) 2.922 1.626 ( 0.276 -0.090 2.908) 2.922 1.712 ( 1.522 0.978 -1.957) 2.665 1.712 ( -1.522 0.978 1.957) 2.665 1.867 ( -0.425 -0.210 -2.130) 2.182 1.867 ( 0.425 -0.210 2.130) 2.182 1.950 ( 0.134 1.598 -2.430) 2.911 1.950 ( -0.134 1.598 2.430) 2.911 2.026 ( 1.194 -0.244 -1.088) 1.633 2.026 ( -1.194 -0.244 1.088) 1.633 2.257 ( 0.462 1.091 -1.950) 2.282 2.257 ( -0.462 1.091 1.950) 2.282 2.359 ( -2.384 -1.397 -4.439) 5.228 2.359 ( 2.384 -1.397 4.439) 5.228 2.553 ( -0.366 0.326 -0.574) 0.755 2.553 ( 0.366 0.326 0.574) 0.755 2.589 ( 0.110 -1.965 -1.251) 2.332 2.589 ( -0.110 -1.965 1.251) 2.332 2.747 ( 0.532 0.944 -0.947) 1.440 2.747 ( -0.532 0.944 0.947) 1.440 2.838 ( -1.505 1.732 -1.966) 3.021 2.838 ( 1.505 1.732 1.966) 3.021 2.944 ( 0.251 -3.708 -1.238) 3.917 2.944 ( -0.251 -3.708 1.238) 3.917 3.078 ( -2.033 1.196 -2.623) 3.528 3.078 ( 2.033 1.196 2.623) 3.528 3.107 ( -0.438 0.304 -2.020) 2.089 3.107 ( 0.438 0.304 2.020) 2.089 3.366 ( -1.989 0.642 -1.312) 2.468 3.366 ( 1.989 0.642 1.312) 2.468 3.731 ( 0.939 -1.254 -2.321) 2.800 3.731 ( -0.939 -1.254 2.321) 2.800 3.855 ( 0.700 1.348 -1.326) 2.017 3.855 ( -0.700 1.348 1.326) 2.017 4.285 ( 0.573 -0.134 -1.355) 1.477 4.285 ( -0.573 -0.134 1.355) 1.477 4.383 ( -0.173 0.050 -0.499) 0.531 4.383 ( 0.173 0.050 0.499) 0.531 5.028 ( 1.589 1.256 -2.051) 2.882 5.028 ( -1.589 1.256 2.051) 2.882 5.193 ( 0.475 -1.568 -1.625) 2.308 5.193 ( -0.475 -1.568 1.625) 2.308 5.323 ( -0.620 -0.090 -0.498) 0.800 5.323 ( 0.620 -0.090 0.498) 0.800 5.395 ( -0.152 -0.035 -0.194) 0.249 5.395 ( 0.152 -0.035 0.194) 0.249 5.521 ( -1.213 0.763 -0.434) 1.497 5.521 ( 1.213 0.763 0.434) 1.497 5.668 ( -0.756 -0.309 -0.215) 0.845 5.668 ( 0.756 -0.309 0.215) 0.845 5.757 ( -0.647 -0.022 -0.476) 0.804 5.757 ( 0.647 -0.022 0.476) 0.804 5.974 ( -4.909 1.794 -1.083) 5.338 5.974 ( 4.909 1.794 1.083) 5.338 6.015 ( -6.013 -1.977 -1.005) 6.409 6.015 ( 6.013 -1.977 1.006) 6.409 6.213 ( -0.183 0.167 -0.159) 0.294 6.213 ( 0.183 0.167 0.159) 0.294 8.286 ( 1.821 1.582 -1.124) 2.661 8.286 ( -1.821 1.582 1.124) 2.661 8.336 ( -1.396 -1.607 -0.014) 2.129 8.336 ( 1.396 -1.607 0.014) 2.129 8.962 ( 2.873 1.268 -4.202) 5.246 8.962 ( -2.873 1.268 4.203) 5.246 8.990 ( 1.891 -1.146 -3.876) 4.462 8.990 ( -1.891 -1.146 3.876) 4.462 9.472 ( -0.229 0.216 -1.455) 1.488 9.472 ( 0.229 0.216 1.455) 1.488 9.477 ( -0.353 -0.192 -1.303) 1.364 9.477 ( 0.353 -0.192 1.303) 1.364 9.793 ( -0.378 -0.429 -0.115) 0.584 9.793 ( 0.378 -0.429 0.115) 0.584 9.975 ( 0.302 1.590 -2.337) 2.843 9.975 ( -0.302 1.590 2.337) 2.843 10.112 ( -0.103 -1.527 -1.012) 1.835 10.112 ( 0.103 -1.527 1.012) 1.835 10.347 ( -0.227 0.298 -0.107) 0.389 10.347 ( 0.227 0.298 0.107) 0.389 ======================= Grid point 137 (80/84) ======================= q-point: ( 0.10 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 6.699 2.181 -8.260) 10.856 1.300 ( 2.860 -4.362 -5.072) 7.276 1.392 ( 4.698 0.911 -6.855) 8.360 1.437 ( 5.093 -2.664 -1.509) 5.942 1.528 ( 4.848 0.651 0.620) 4.930 1.573 ( 8.883 -2.913 1.241) 9.430 1.673 ( 4.716 2.760 1.922) 5.792 1.707 ( 3.391 0.736 1.815) 3.916 1.795 ( 4.401 2.041 -0.311) 4.861 1.805 ( 8.022 1.487 3.702) 8.959 1.850 ( 0.371 1.214 -0.125) 1.275 1.892 ( 1.347 -1.225 0.030) 1.821 1.931 ( 0.720 0.657 -0.636) 1.164 1.962 ( 2.001 -0.864 0.949) 2.377 2.036 ( 0.641 0.652 2.177) 2.361 2.055 ( 2.948 -1.297 0.796) 3.317 2.250 ( -1.061 0.214 -1.899) 2.186 2.263 ( 2.548 -0.565 -0.816) 2.734 2.353 ( 6.525 4.030 -1.189) 7.761 2.446 ( 5.692 -3.942 0.571) 6.947 2.569 ( 1.446 2.101 2.236) 3.392 2.602 ( 3.823 0.386 1.422) 4.097 2.615 ( 1.786 0.110 0.210) 1.802 2.645 ( 4.402 -2.904 0.385) 5.288 2.766 ( 3.478 -0.443 -2.496) 4.304 2.795 ( 5.328 -1.284 2.607) 6.069 2.850 ( 4.178 2.507 -0.175) 4.876 2.921 ( 5.706 -1.960 0.909) 6.102 2.936 ( 1.678 -0.020 1.416) 2.196 2.993 ( 3.943 -2.190 -1.246) 4.679 3.050 ( 2.171 2.525 -0.946) 3.462 3.091 ( 1.072 -0.993 0.978) 1.759 3.157 ( 3.956 1.624 1.098) 4.415 3.180 ( 5.978 -1.514 1.212) 6.285 3.412 ( 6.552 4.913 1.102) 8.263 3.496 ( 9.359 -3.135 3.286) 10.403 3.709 ( -0.117 -0.918 -3.889) 3.998 3.717 ( -1.398 -1.423 -0.646) 2.097 3.823 ( -1.228 1.745 -3.415) 4.027 3.834 ( -0.560 0.632 -3.967) 4.056 4.222 ( -3.710 0.110 -4.657) 5.955 4.228 ( -2.239 -0.373 -6.312) 6.707 4.385 ( -2.625 0.736 5.646) 6.269 4.402 ( -1.805 -0.819 6.046) 6.363 5.036 ( 0.246 2.582 2.914) 3.901 5.069 ( 2.886 0.635 0.366) 2.978 5.163 ( -1.683 -0.985 -1.982) 2.780 5.185 ( -1.390 -1.790 -0.482) 2.317 5.300 ( -2.021 0.942 0.459) 2.277 5.328 ( -0.679 -1.864 0.912) 2.183 5.361 ( -3.619 -0.046 -0.527) 3.658 5.361 ( -3.788 -0.065 -0.554) 3.829 5.450 ( -4.839 1.949 -1.054) 5.322 5.481 ( -4.643 -1.025 -0.741) 4.812 5.658 ( -1.031 0.635 0.531) 1.322 5.672 ( -1.129 -0.615 0.449) 1.361 5.779 ( 2.070 1.152 2.504) 3.447 5.806 ( 2.833 -1.370 2.946) 4.311 5.907 ( -1.426 1.530 0.468) 2.143 5.939 ( -2.020 -1.449 1.526) 2.917 6.081 ( 4.625 2.238 -0.278) 5.146 6.135 ( 3.493 -3.001 -0.256) 4.612 6.226 ( 2.796 1.303 0.167) 3.089 6.244 ( 4.833 -0.491 0.633) 4.899 8.265 ( -0.410 1.447 0.608) 1.623 8.297 ( 0.226 -1.390 -0.383) 1.459 8.344 ( 3.338 1.922 -1.216) 4.039 8.387 ( 3.653 -1.998 -1.214) 4.337 8.955 ( -1.523 1.351 3.168) 3.765 8.979 ( 2.043 -0.159 -2.918) 3.566 8.990 ( 1.628 -0.265 -1.150) 2.011 9.003 ( 1.028 -0.799 -0.479) 1.388 9.469 ( 1.611 0.533 -1.571) 2.312 9.480 ( 1.609 -0.469 -0.899) 1.902 9.505 ( 2.254 0.398 1.183) 2.576 9.514 ( 2.212 -0.314 1.522) 2.704 9.773 ( -0.999 0.155 -1.390) 1.719 9.785 ( -0.567 -1.034 -1.485) 1.896 9.960 ( -0.237 3.133 -1.699) 3.572 9.996 ( -0.422 0.226 3.405) 3.439 10.099 ( -0.382 -1.004 -0.367) 1.135 10.118 ( -0.492 -2.500 0.923) 2.710 10.320 ( -3.325 0.666 1.502) 3.708 10.326 ( -3.257 0.217 1.103) 3.446 ======================= Grid point 138 (81/84) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 7.524 -0.037 -10.508) 12.924 1.327 ( 7.864 -4.311 -6.521) 11.088 1.452 ( 8.966 2.756 -7.688) 12.128 1.532 ( 6.446 -4.359 -1.645) 7.954 1.626 ( 4.634 2.976 -2.776) 6.167 1.654 ( 1.881 0.055 -3.454) 3.933 1.729 ( 1.742 1.770 -2.823) 3.760 1.757 ( 2.773 -0.904 -2.838) 4.069 1.813 ( -0.596 0.836 0.154) 1.039 1.862 ( 2.267 -2.237 3.002) 4.377 1.930 ( 3.325 0.482 1.195) 3.566 1.948 ( 4.730 2.212 -1.168) 5.351 1.988 ( 3.638 2.538 2.399) 5.043 2.049 ( 2.456 -2.204 3.112) 4.536 2.134 ( 8.759 2.582 4.617) 10.232 2.187 ( 6.535 -2.420 5.096) 8.633 2.257 ( 5.077 1.646 -1.149) 5.460 2.322 ( 5.873 -3.559 -2.564) 7.330 2.490 ( 6.491 4.399 0.995) 7.904 2.573 ( 5.934 -2.887 0.961) 6.669 2.616 ( 3.709 3.479 -1.891) 5.425 2.669 ( 7.649 3.331 2.915) 8.837 2.707 ( 3.792 -4.871 -1.383) 6.326 2.741 ( 6.899 -3.582 3.861) 8.680 2.863 ( 9.194 1.403 -0.027) 9.301 2.931 ( 4.566 0.578 0.652) 4.648 2.941 ( 8.505 -1.261 1.884) 8.802 3.005 ( 4.982 -2.436 1.991) 5.892 3.086 ( 8.172 1.240 -1.170) 8.348 3.092 ( 12.083 0.485 -0.532) 12.105 3.150 ( 8.983 1.867 2.825) 9.600 3.172 ( 6.886 0.613 3.536) 7.765 3.275 ( 8.581 1.659 2.530) 9.099 3.332 ( 10.465 -4.313 0.602) 11.335 3.554 ( 6.603 5.326 0.469) 8.496 3.628 ( -0.469 -2.307 -0.899) 2.520 3.677 ( -0.304 0.325 -2.077) 2.124 3.706 ( 2.647 -1.562 -3.946) 5.002 3.790 ( 2.055 0.762 -5.079) 5.532 3.809 ( 7.630 -1.180 -3.296) 8.395 4.118 ( -2.045 0.911 -4.484) 5.012 4.140 ( -0.325 -1.163 -5.567) 5.697 4.393 ( -2.607 1.359 6.073) 6.747 4.423 ( -1.896 -1.465 5.628) 6.117 5.059 ( -1.440 2.202 0.344) 2.653 5.082 ( -4.406 2.665 -1.322) 5.316 5.109 ( -1.962 -1.693 0.618) 2.664 5.134 ( -4.441 -1.487 -0.121) 4.685 5.235 ( -6.951 0.145 -1.658) 7.147 5.236 ( -4.883 0.000 -0.771) 4.944 5.308 ( -4.988 0.640 0.887) 5.107 5.327 ( -1.443 -1.265 0.745) 2.058 5.371 ( -2.725 1.085 0.472) 2.971 5.397 ( -2.789 -1.342 1.162) 3.306 5.635 ( -1.703 0.223 0.230) 1.733 5.643 ( -2.190 -0.487 0.207) 2.253 5.843 ( 2.706 0.946 0.525) 2.914 5.865 ( 2.127 -0.934 -0.502) 2.377 5.945 ( 2.654 0.944 4.251) 5.100 5.966 ( 1.503 -0.883 3.928) 4.297 6.096 ( 0.566 1.413 -3.129) 3.479 6.138 ( 0.313 -2.854 -2.891) 4.075 6.301 ( 3.259 3.946 2.921) 5.892 6.368 ( 4.441 -2.566 3.898) 6.442 8.286 ( 2.082 1.354 0.390) 2.514 8.319 ( 2.484 -1.822 -0.308) 3.096 8.393 ( 3.302 2.118 -1.075) 4.067 8.433 ( 2.856 -1.702 -1.205) 3.537 8.964 ( -0.805 1.170 3.141) 3.447 8.989 ( 1.262 -0.951 -1.082) 1.915 9.010 ( 1.892 0.059 -1.973) 2.734 9.015 ( 1.893 -0.286 -2.390) 3.062 9.500 ( 3.186 0.497 -0.933) 3.357 9.510 ( 2.755 -0.483 -1.078) 2.998 9.566 ( 3.405 0.673 1.119) 3.647 9.577 ( 3.451 -0.392 1.507) 3.786 9.743 ( -0.815 0.213 -1.373) 1.611 9.755 ( -0.842 -0.984 -1.944) 2.336 9.928 ( -1.284 4.146 -2.411) 4.965 10.006 ( -1.598 -2.387 1.479) 3.230 10.094 ( -0.477 -0.501 1.022) 1.234 10.119 ( -0.856 -2.072 2.194) 3.137 10.267 ( -4.083 0.955 0.900) 4.289 10.270 ( -3.997 0.471 2.003) 4.496 ======================= Grid point 139 (82/84) ======================= q-point: ( 0.30 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 9.919 1.377 -7.900) 12.756 1.421 ( 9.349 -5.662 -7.680) 13.358 1.507 ( 3.357 1.706 -3.342) 5.035 1.561 ( -0.195 -3.281 -2.631) 4.210 1.627 ( 2.943 2.952 -8.812) 9.748 1.678 ( 4.242 -0.498 -5.439) 6.915 1.707 ( 0.583 2.104 -4.953) 5.413 1.771 ( 1.467 -3.443 -0.169) 3.746 1.828 ( 2.170 4.278 0.279) 4.805 1.923 ( 2.556 -3.404 0.230) 4.263 2.006 ( 2.418 4.111 0.780) 4.833 2.031 ( 5.339 0.081 2.233) 5.787 2.080 ( 4.767 0.684 1.581) 5.068 2.116 ( 3.570 -1.972 0.937) 4.185 2.293 ( 2.278 1.581 6.279) 6.864 2.300 ( 3.648 0.838 6.950) 7.894 2.391 ( 7.078 -1.159 -0.877) 7.226 2.407 ( 6.107 -2.221 -2.929) 7.128 2.563 ( 1.416 2.835 0.402) 3.195 2.602 ( 0.074 -0.461 0.962) 1.069 2.742 ( 6.739 0.443 2.498) 7.201 2.753 ( 2.466 -0.111 0.536) 2.526 2.862 ( 9.159 0.422 3.641) 9.865 2.900 ( 6.798 -2.827 3.205) 8.030 3.021 ( 6.355 1.614 1.596) 6.748 3.034 ( 7.364 0.177 2.026) 7.640 3.099 ( 7.188 -0.789 -0.377) 7.241 3.136 ( 7.941 -3.393 -0.010) 8.636 3.262 ( 13.016 3.088 0.522) 13.387 3.302 ( 12.527 -0.912 0.077) 12.561 3.354 ( 11.840 3.986 -0.905) 12.525 3.417 ( 13.821 -0.739 2.480) 14.062 3.478 ( 10.179 0.703 2.165) 10.430 3.516 ( 6.415 -2.378 1.911) 7.104 3.593 ( 2.964 0.804 -0.270) 3.083 3.607 ( 0.071 -0.589 -0.311) 0.670 3.683 ( 6.858 0.211 -2.998) 7.487 3.713 ( 6.867 -1.959 -4.689) 8.543 3.857 ( 8.884 4.056 -3.272) 10.300 3.941 ( 8.836 -3.923 -7.085) 11.986 4.117 ( 4.745 2.932 -0.087) 5.578 4.177 ( 7.037 -2.637 1.951) 7.764 4.397 ( -2.223 1.472 3.822) 4.660 4.429 ( -2.165 -1.484 3.040) 4.017 4.912 ( -10.318 1.655 -3.124) 10.907 4.945 ( -11.836 -1.445 -1.496) 12.017 5.036 ( -6.810 -0.067 0.042) 6.811 5.041 ( -6.415 -0.411 0.633) 6.459 5.129 ( -5.646 2.126 0.625) 6.065 5.161 ( -4.401 -0.857 0.283) 4.493 5.180 ( -8.647 2.016 -0.664) 8.904 5.216 ( -9.325 -1.406 -0.300) 9.435 5.414 ( 2.933 0.375 1.724) 3.423 5.424 ( 2.917 -0.190 2.051) 3.571 5.613 ( -1.320 -0.085 0.645) 1.472 5.623 ( 0.165 -0.919 1.022) 1.385 5.881 ( 2.625 0.476 -1.847) 3.245 5.895 ( 2.704 -0.594 -1.523) 3.159 5.972 ( -1.806 0.424 -3.014) 3.539 5.982 ( -1.427 -0.403 -1.957) 2.455 6.142 ( 4.268 -0.006 4.467) 6.178 6.154 ( 3.395 -1.281 2.113) 4.199 6.361 ( 0.297 4.342 3.158) 5.377 6.439 ( 0.149 -3.028 3.029) 4.286 8.334 ( 2.674 1.221 0.423) 2.970 8.363 ( 2.606 -1.602 -0.372) 3.082 8.435 ( 2.330 1.522 -0.390) 2.810 8.464 ( 1.893 -1.214 -1.008) 2.464 8.980 ( -0.739 0.955 3.172) 3.394 9.001 ( 0.640 -0.918 0.031) 1.119 9.018 ( 1.319 0.168 -2.176) 2.550 9.024 ( 2.065 -0.202 -3.467) 4.041 9.549 ( 3.118 0.111 -1.204) 3.345 9.557 ( 3.473 -0.399 -0.373) 3.516 9.636 ( 3.370 1.040 0.681) 3.592 9.652 ( 3.358 -0.499 1.104) 3.570 9.724 ( -0.266 -0.070 -0.639) 0.696 9.729 ( -0.218 -0.380 -1.007) 1.098 9.882 ( -1.269 3.625 -2.405) 4.532 9.964 ( -2.663 -3.831 -1.607) 4.935 10.099 ( -1.330 0.477 2.713) 3.059 10.120 ( -1.571 -1.026 2.041) 2.772 10.217 ( -2.286 0.991 0.828) 2.626 10.227 ( -2.773 0.056 1.630) 3.217 ======================= Grid point 140 (83/84) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 7.970 0.834 -5.586) 9.769 1.480 ( 4.025 -0.681 -3.159) 5.162 1.535 ( 0.347 0.588 0.196) 0.710 1.560 ( 2.836 0.852 -4.371) 5.280 1.593 ( 1.931 -2.149 -3.057) 4.206 1.634 ( -1.568 -2.685 -4.882) 5.788 1.709 ( 2.290 1.480 -2.543) 3.729 1.779 ( -1.344 -5.115 0.530) 5.316 1.897 ( 6.097 4.884 -2.337) 8.154 1.961 ( 3.046 -1.703 -1.502) 3.800 2.022 ( -1.813 5.003 0.873) 5.393 2.076 ( -1.679 -0.147 -0.104) 1.689 2.189 ( 7.268 0.495 0.868) 7.336 2.226 ( 6.991 -3.384 1.337) 7.881 2.382 ( -0.740 0.707 6.855) 6.930 2.390 ( -0.739 0.175 5.316) 5.370 2.448 ( 3.836 0.889 -2.993) 4.946 2.469 ( 3.202 -1.484 -0.497) 3.564 2.568 ( -0.956 2.007 0.639) 2.313 2.601 ( -1.040 -1.017 -0.089) 1.457 2.802 ( 1.776 1.712 2.331) 3.394 2.842 ( 2.244 -1.964 0.954) 3.131 3.012 ( 4.851 0.250 1.982) 5.246 3.032 ( 5.162 -1.657 2.318) 5.896 3.134 ( 3.944 3.477 3.024) 6.066 3.158 ( 5.449 3.834 -1.207) 6.771 3.209 ( 4.365 -3.262 3.190) 6.315 3.243 ( 5.274 -3.916 -1.883) 6.833 3.397 ( 3.465 2.217 -2.579) 4.855 3.423 ( 1.435 -0.219 -0.885) 1.700 3.480 ( -1.624 0.220 1.615) 2.301 3.490 ( 1.160 -0.596 -0.836) 1.549 3.663 ( 8.496 0.880 -0.835) 8.582 3.675 ( 12.478 -0.031 -1.310) 12.546 3.702 ( 7.356 1.486 1.643) 7.683 3.746 ( 13.924 -1.917 0.750) 14.076 3.872 ( 13.119 -0.194 -1.085) 13.165 3.897 ( 13.892 -1.663 -0.643) 14.006 4.021 ( 12.084 1.478 -0.434) 12.182 4.054 ( 11.800 -1.471 -4.735) 12.799 4.234 ( 5.549 4.066 2.245) 7.236 4.314 ( 2.227 -3.390 3.570) 5.403 4.383 ( -1.962 0.895 1.338) 2.538 4.401 ( -3.036 -0.601 1.003) 3.253 4.698 ( -10.659 0.442 -1.702) 10.803 4.708 ( -12.240 -0.459 -1.439) 12.333 4.894 ( -8.078 0.993 -0.905) 8.189 4.922 ( -7.444 -1.775 -0.341) 7.660 5.003 ( -7.026 0.895 0.617) 7.110 5.025 ( -10.351 -0.942 0.627) 10.413 5.047 ( -6.236 2.782 -1.051) 6.909 5.088 ( -5.128 -1.097 0.000) 5.244 5.465 ( 1.782 1.140 1.230) 2.447 5.492 ( 2.134 -1.287 0.272) 2.507 5.625 ( 1.838 1.577 2.463) 3.454 5.664 ( 2.465 -1.881 2.542) 4.009 5.854 ( -2.654 1.432 -5.240) 6.046 5.889 ( -3.182 -1.666 -5.218) 6.334 5.937 ( 2.025 0.160 -0.862) 2.206 5.945 ( 1.200 -0.555 -0.213) 1.339 6.247 ( 4.137 0.898 2.737) 5.041 6.270 ( 4.828 -1.113 4.219) 6.508 6.368 ( -1.993 3.481 1.804) 4.398 6.434 ( -2.533 -2.712 1.002) 3.844 8.377 ( 1.733 0.801 0.452) 1.962 8.394 ( 1.345 -0.773 -0.554) 1.647 8.466 ( 1.231 0.639 0.269) 1.413 8.480 ( 0.954 -0.714 -0.818) 1.445 8.994 ( -0.968 0.799 3.328) 3.557 9.009 ( 0.861 -0.299 -1.223) 1.525 9.019 ( 0.139 -0.093 -0.269) 0.317 9.025 ( 1.690 -0.350 -3.360) 3.778 9.590 ( 2.583 0.612 -0.695) 2.744 9.609 ( 2.652 -1.100 -0.211) 2.879 9.666 ( 0.084 0.966 -1.002) 1.395 9.684 ( -0.255 -0.710 -0.045) 0.756 9.740 ( 2.420 0.718 0.844) 2.661 9.756 ( 2.660 -0.687 1.328) 3.051 9.846 ( -0.745 2.451 -1.670) 3.058 9.901 ( -2.598 -2.585 -1.793) 4.080 10.089 ( -1.475 0.454 0.993) 1.835 10.101 ( -2.053 -0.394 1.242) 2.432 10.200 ( -0.814 0.304 0.892) 1.245 10.205 ( -1.199 -0.029 0.959) 1.535 ======================= Grid point 141 (84/84) ======================= q-point: (-0.50 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 1.068 0.164 -2.478) 2.703 1.505 ( -1.068 0.164 2.478) 2.703 1.542 ( 2.164 1.367 -1.526) 2.980 1.542 ( -2.164 1.367 1.526) 2.980 1.604 ( 0.678 -0.982 -1.080) 1.610 1.604 ( -0.678 -0.982 1.080) 1.610 1.742 ( 0.117 -3.832 -1.188) 4.013 1.742 ( -0.117 -3.832 1.188) 4.013 1.973 ( 2.470 3.695 -1.794) 4.793 1.973 ( -2.470 3.695 1.794) 4.793 2.017 ( -1.337 -0.330 -1.096) 1.760 2.017 ( 1.337 -0.330 1.096) 1.760 2.306 ( -2.151 -0.760 -0.276) 2.298 2.306 ( 2.151 -0.760 0.276) 2.298 2.369 ( 0.572 -0.193 -0.931) 1.109 2.369 ( -0.572 -0.193 0.931) 1.109 2.506 ( 1.584 0.158 -0.846) 1.803 2.506 ( -1.584 0.158 0.846) 1.803 2.563 ( -1.277 0.661 -1.531) 2.100 2.563 ( 1.277 0.661 1.531) 2.100 2.846 ( -0.613 -0.490 -2.045) 2.190 2.846 ( 0.613 -0.490 2.045) 2.190 3.075 ( -0.712 -0.490 -0.760) 1.151 3.075 ( 0.712 -0.490 0.760) 1.151 3.195 ( 1.200 4.003 -3.985) 5.775 3.195 ( -1.200 4.003 3.985) 5.775 3.272 ( 1.852 -3.305 -4.975) 6.253 3.272 ( -1.852 -3.305 4.975) 6.253 3.416 ( 1.151 0.380 -1.816) 2.184 3.416 ( -1.151 0.380 1.816) 2.184 3.479 ( -0.131 -0.058 -1.188) 1.197 3.479 ( 0.131 -0.058 1.188) 1.197 3.721 ( 0.676 -0.273 -1.248) 1.445 3.721 ( -0.676 -0.273 1.248) 1.445 3.901 ( 1.759 -0.110 -0.749) 1.915 3.901 ( -1.759 -0.110 0.749) 1.915 4.015 ( -0.627 0.034 -0.265) 0.681 4.015 ( 0.627 0.034 0.265) 0.681 4.170 ( 0.138 -0.265 -1.194) 1.231 4.170 ( -0.138 -0.265 1.194) 1.231 4.320 ( -1.436 0.075 0.033) 1.438 4.320 ( 1.436 0.075 -0.033) 1.438 4.346 ( 0.385 0.229 -0.192) 0.488 4.346 ( -0.385 0.229 0.192) 0.488 4.580 ( 0.028 0.097 -0.255) 0.274 4.580 ( -0.028 0.097 0.255) 0.274 4.813 ( -1.487 -0.082 -0.732) 1.659 4.813 ( 1.487 -0.082 0.732) 1.659 4.940 ( -0.517 1.494 -1.266) 2.026 4.940 ( 0.517 1.494 1.266) 2.026 5.004 ( -2.813 -1.269 -0.694) 3.163 5.004 ( 2.813 -1.269 0.694) 3.163 5.496 ( -0.778 -0.016 -0.690) 1.040 5.496 ( 0.778 -0.016 0.690) 1.040 5.703 ( -1.947 0.285 -2.316) 3.039 5.703 ( 1.947 0.285 2.316) 3.039 5.793 ( -1.459 -0.358 -2.341) 2.782 5.793 ( 1.459 -0.358 2.341) 2.782 5.957 ( 0.366 -0.315 -0.374) 0.610 5.957 ( -0.366 -0.315 0.374) 0.610 6.327 ( -2.462 2.302 -1.040) 3.527 6.327 ( 2.462 2.302 1.040) 3.527 6.374 ( -3.849 -2.031 -1.716) 4.678 6.374 ( 3.849 -2.031 1.716) 4.678 8.399 ( -0.242 0.121 -0.535) 0.599 8.399 ( 0.242 0.121 0.535) 0.599 8.481 ( -0.107 -0.137 -0.627) 0.650 8.481 ( 0.107 -0.137 0.627) 0.650 9.006 ( 1.395 0.596 -3.664) 3.966 9.006 ( -1.395 0.596 3.664) 3.966 9.022 ( 1.765 -0.557 -3.791) 4.219 9.022 ( -1.765 -0.557 3.791) 4.219 9.623 ( -1.008 0.274 -0.310) 1.090 9.623 ( 1.008 0.274 0.310) 1.090 9.667 ( -0.442 -0.439 -0.258) 0.674 9.667 ( 0.442 -0.439 0.258) 0.674 9.786 ( -1.208 0.338 -0.361) 1.305 9.786 ( 1.208 0.338 0.361) 1.305 9.845 ( -2.147 -0.217 -0.678) 2.262 9.845 ( 2.147 -0.217 0.678) 2.262 10.082 ( 0.509 -0.030 -0.684) 0.854 10.082 ( -0.509 -0.030 0.684) 0.854 10.199 ( -0.033 0.057 -0.075) 0.100 10.199 ( 0.033 0.057 0.075) 0.100 =================== 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 3/20160 10.0 106.628 72.864 111.091 0.000 20.705 0.000 3/20160 20.0 21.581 10.042 18.461 0.000 4.119 0.000 3/20160 30.0 9.916 4.117 7.769 0.000 1.610 0.000 3/20160 40.0 6.324 2.457 4.649 0.000 0.897 0.000 3/20160 50.0 4.671 1.732 3.271 0.000 0.597 0.000 3/20160 60.0 3.725 1.335 2.517 0.000 0.441 0.000 3/20160 70.0 3.111 1.087 2.048 0.000 0.348 0.000 3/20160 80.0 2.678 0.919 1.730 0.000 0.287 0.000 3/20160 90.0 2.356 0.797 1.501 0.000 0.244 0.000 3/20160 100.0 2.106 0.706 1.328 0.000 0.212 0.000 3/20160 110.0 1.906 0.634 1.192 0.000 0.188 0.000 3/20160 120.0 1.743 0.576 1.083 0.000 0.169 0.000 3/20160 130.0 1.606 0.528 0.994 0.000 0.153 0.000 3/20160 140.0 1.490 0.488 0.919 0.000 0.140 0.000 3/20160 150.0 1.390 0.454 0.855 0.000 0.129 0.000 3/20160 160.0 1.303 0.424 0.799 0.000 0.120 0.000 3/20160 170.0 1.227 0.399 0.751 0.000 0.112 0.000 3/20160 180.0 1.159 0.376 0.708 0.000 0.105 0.000 3/20160 190.0 1.098 0.356 0.671 0.000 0.099 0.000 3/20160 200.0 1.044 0.338 0.637 0.000 0.093 0.000 3/20160 210.0 0.995 0.322 0.606 0.000 0.089 0.000 3/20160 220.0 0.950 0.307 0.579 0.000 0.084 0.000 3/20160 230.0 0.909 0.294 0.553 0.000 0.080 0.000 3/20160 240.0 0.872 0.281 0.530 0.000 0.077 0.000 3/20160 250.0 0.838 0.270 0.509 0.000 0.073 0.000 3/20160 260.0 0.806 0.260 0.490 0.000 0.070 0.000 3/20160 270.0 0.777 0.250 0.472 0.000 0.067 0.000 3/20160 280.0 0.749 0.241 0.455 0.000 0.065 0.000 3/20160 290.0 0.724 0.233 0.439 0.000 0.063 0.000 3/20160 300.0 0.700 0.225 0.425 0.000 0.060 0.000 3/20160 310.0 0.678 0.218 0.411 0.000 0.058 0.000 3/20160 320.0 0.657 0.211 0.398 0.000 0.056 0.000 3/20160 330.0 0.637 0.205 0.386 0.000 0.055 0.000 3/20160 340.0 0.619 0.199 0.375 0.000 0.053 0.000 3/20160 350.0 0.601 0.193 0.364 0.000 0.051 0.000 3/20160 360.0 0.585 0.188 0.354 0.000 0.050 0.000 3/20160 370.0 0.569 0.183 0.345 0.000 0.048 0.000 3/20160 380.0 0.554 0.178 0.336 0.000 0.047 0.000 3/20160 390.0 0.540 0.173 0.327 0.000 0.046 0.000 3/20160 400.0 0.527 0.169 0.319 0.000 0.045 0.000 3/20160 410.0 0.514 0.165 0.312 0.000 0.044 0.000 3/20160 420.0 0.502 0.161 0.304 0.000 0.043 0.000 3/20160 430.0 0.491 0.157 0.297 0.000 0.041 0.000 3/20160 440.0 0.480 0.154 0.290 0.000 0.041 0.000 3/20160 450.0 0.469 0.150 0.284 0.000 0.040 0.000 3/20160 460.0 0.459 0.147 0.278 0.000 0.039 0.000 3/20160 470.0 0.449 0.144 0.272 0.000 0.038 0.000 3/20160 480.0 0.440 0.141 0.266 0.000 0.037 0.000 3/20160 490.0 0.431 0.138 0.261 0.000 0.036 0.000 3/20160 500.0 0.423 0.136 0.256 0.000 0.036 0.000 3/20160 510.0 0.414 0.133 0.251 0.000 0.035 0.000 3/20160 520.0 0.407 0.130 0.246 0.000 0.034 0.000 3/20160 530.0 0.399 0.128 0.242 0.000 0.033 0.000 3/20160 540.0 0.392 0.126 0.237 0.000 0.033 0.000 3/20160 550.0 0.385 0.123 0.233 0.000 0.032 0.000 3/20160 560.0 0.378 0.121 0.229 0.000 0.032 0.000 3/20160 570.0 0.371 0.119 0.225 0.000 0.031 0.000 3/20160 580.0 0.365 0.117 0.221 0.000 0.031 0.000 3/20160 590.0 0.359 0.115 0.217 0.000 0.030 0.000 3/20160 600.0 0.353 0.113 0.214 0.000 0.030 0.000 3/20160 610.0 0.347 0.111 0.210 0.000 0.029 0.000 3/20160 620.0 0.341 0.109 0.207 0.000 0.029 0.000 3/20160 630.0 0.336 0.108 0.203 0.000 0.028 0.000 3/20160 640.0 0.331 0.106 0.200 0.000 0.028 0.000 3/20160 650.0 0.326 0.104 0.197 0.000 0.027 0.000 3/20160 660.0 0.321 0.103 0.194 0.000 0.027 0.000 3/20160 670.0 0.316 0.101 0.191 0.000 0.026 0.000 3/20160 680.0 0.312 0.100 0.189 0.000 0.026 0.000 3/20160 690.0 0.307 0.098 0.186 0.000 0.026 0.000 3/20160 700.0 0.303 0.097 0.183 0.000 0.025 0.000 3/20160 710.0 0.298 0.096 0.181 0.000 0.025 0.000 3/20160 720.0 0.294 0.094 0.178 0.000 0.025 0.000 3/20160 730.0 0.290 0.093 0.176 0.000 0.024 0.000 3/20160 740.0 0.286 0.092 0.173 0.000 0.024 0.000 3/20160 750.0 0.283 0.091 0.171 0.000 0.024 0.000 3/20160 760.0 0.279 0.089 0.169 0.000 0.023 0.000 3/20160 770.0 0.275 0.088 0.167 0.000 0.023 0.000 3/20160 780.0 0.272 0.087 0.165 0.000 0.023 0.000 3/20160 790.0 0.268 0.086 0.162 0.000 0.022 0.000 3/20160 800.0 0.265 0.085 0.160 0.000 0.022 0.000 3/20160 810.0 0.262 0.084 0.158 0.000 0.022 0.000 3/20160 820.0 0.259 0.083 0.157 0.000 0.022 0.000 3/20160 830.0 0.256 0.082 0.155 0.000 0.021 0.000 3/20160 840.0 0.253 0.081 0.153 0.000 0.021 0.000 3/20160 850.0 0.250 0.080 0.151 0.000 0.021 0.000 3/20160 860.0 0.247 0.079 0.149 0.000 0.021 0.000 3/20160 870.0 0.244 0.078 0.148 0.000 0.020 0.000 3/20160 880.0 0.241 0.077 0.146 0.000 0.020 0.000 3/20160 890.0 0.238 0.076 0.144 0.000 0.020 0.000 3/20160 900.0 0.236 0.076 0.143 0.000 0.020 0.000 3/20160 910.0 0.233 0.075 0.141 0.000 0.019 0.000 3/20160 920.0 0.231 0.074 0.140 0.000 0.019 0.000 3/20160 930.0 0.228 0.073 0.138 0.000 0.019 0.000 3/20160 940.0 0.226 0.072 0.137 0.000 0.019 0.000 3/20160 950.0 0.223 0.072 0.135 0.000 0.019 0.000 3/20160 960.0 0.221 0.071 0.134 0.000 0.018 0.000 3/20160 970.0 0.219 0.070 0.132 0.000 0.018 0.000 3/20160 980.0 0.217 0.069 0.131 0.000 0.018 0.000 3/20160 990.0 0.214 0.069 0.130 0.000 0.018 0.000 3/20160 1000.0 0.212 0.068 0.129 0.000 0.018 0.000 3/20160 Thermal conductivity related properties were written into "kappa-m1038.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:29:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|