----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:27:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.407595472260821 0.000000000000000 0.000000000000000 b 0.000000000000000 7.516224200000000 0.000000000000000 c -1.208273154601133 0.000000000000000 6.016410088605679 Atomic positions (fractional): *1 O 0.30673852151250 0.22549669925610 0.46447066126868 15.999 2 O 0.69326147848750 0.72549669925611 0.03552933873132 15.999 3 O 0.69326147848750 0.77450330074389 0.53552933873132 15.999 4 O 0.30673852151250 0.27450330074390 0.96447066126868 15.999 *5 O 0.68563667581248 0.41177798701593 0.73959255570232 15.999 6 O 0.31436332418752 0.91177798701593 0.76040744429768 15.999 7 O 0.31436332418752 0.58822201298407 0.26040744429768 15.999 8 O 0.68563667581248 0.08822201298407 0.23959255570232 15.999 *9 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 10 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 *11 Ba 0.63489050311597 0.07504427792142 0.77879375006327 137.327 12 Ba 0.36510949688403 0.57504427792142 0.72120624993673 137.327 13 Ba 0.36510949688403 0.92495572207858 0.22120624993673 137.327 14 Ba 0.63489050311597 0.42495572207858 0.27879375006327 137.327 *15 Bi 0.12653097071216 0.12219790810320 0.72315582689056 208.980 16 Bi 0.87346902928784 0.62219790810320 0.77684417310944 208.980 17 Bi 0.87346902928784 0.87780209189680 0.27684417310944 208.980 18 Bi 0.12653097071216 0.37780209189680 0.22315582689056 208.980 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.407595472260821 0.000000000000000 0.000000000000000 b 0.000000000000000 7.516224200000000 0.000000000000000 c -1.208273154601133 0.000000000000000 6.016410088605679 Atomic positions (fractional): *1 O 0.30673852151250 0.22549669925610 0.46447066126868 15.999 > 1 2 O 0.69326147848750 0.72549669925611 0.03552933873132 15.999 > 2 3 O 0.69326147848750 0.77450330074389 0.53552933873132 15.999 > 3 4 O 0.30673852151250 0.27450330074390 0.96447066126868 15.999 > 4 *5 O 0.68563667581248 0.41177798701593 0.73959255570232 15.999 > 5 6 O 0.31436332418752 0.91177798701593 0.76040744429768 15.999 > 6 7 O 0.31436332418752 0.58822201298407 0.26040744429768 15.999 > 7 8 O 0.68563667581248 0.08822201298407 0.23959255570232 15.999 > 8 *9 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 9 10 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 10 *11 Ba 0.63489050311597 0.07504427792142 0.77879375006327 137.327 > 11 12 Ba 0.36510949688403 0.57504427792142 0.72120624993673 137.327 > 12 13 Ba 0.36510949688403 0.92495572207858 0.22120624993673 137.327 > 13 14 Ba 0.63489050311597 0.42495572207858 0.27879375006327 137.327 > 14 *15 Bi 0.12653097071216 0.12219790810320 0.72315582689056 208.980 > 15 16 Bi 0.87346902928784 0.62219790810320 0.77684417310944 208.980 > 16 17 Bi 0.87346902928784 0.87780209189680 0.27684417310944 208.980 > 17 18 Bi 0.12653097071216 0.37780209189680 0.22315582689056 208.980 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.815190944521643 0.000000000000000 0.000000000000000 b 0.000000000000000 15.032448400000000 0.000000000000000 c -2.416546309202266 0.000000000000000 12.032820177211358 Atomic positions (fractional): *1 O 0.15336926075625 0.11274834962805 0.23223533063434 15.999 > 1 2 O 0.65336926075625 0.11274834962805 0.23223533063434 15.999 > 1 3 O 0.15336926075625 0.61274834962805 0.23223533063434 15.999 > 1 4 O 0.65336926075625 0.61274834962805 0.23223533063434 15.999 > 1 5 O 0.15336926075625 0.11274834962805 0.73223533063434 15.999 > 1 6 O 0.65336926075625 0.11274834962805 0.73223533063434 15.999 > 1 7 O 0.15336926075625 0.61274834962805 0.73223533063434 15.999 > 1 8 O 0.65336926075625 0.61274834962805 0.73223533063434 15.999 > 1 9 O 0.34663073924375 0.36274834962805 0.01776466936566 15.999 > 2 10 O 0.84663073924375 0.36274834962805 0.01776466936566 15.999 > 2 11 O 0.34663073924375 0.86274834962805 0.01776466936566 15.999 > 2 12 O 0.84663073924375 0.86274834962805 0.01776466936566 15.999 > 2 13 O 0.34663073924375 0.36274834962805 0.51776466936566 15.999 > 2 14 O 0.84663073924375 0.36274834962805 0.51776466936566 15.999 > 2 15 O 0.34663073924375 0.86274834962805 0.51776466936566 15.999 > 2 16 O 0.84663073924375 0.86274834962805 0.51776466936566 15.999 > 2 17 O 0.34663073924375 0.38725165037195 0.26776466936566 15.999 > 3 18 O 0.84663073924375 0.38725165037195 0.26776466936566 15.999 > 3 19 O 0.34663073924375 0.88725165037195 0.26776466936566 15.999 > 3 20 O 0.84663073924375 0.88725165037195 0.26776466936566 15.999 > 3 21 O 0.34663073924375 0.38725165037195 0.76776466936566 15.999 > 3 22 O 0.84663073924375 0.38725165037195 0.76776466936566 15.999 > 3 23 O 0.34663073924375 0.88725165037195 0.76776466936566 15.999 > 3 24 O 0.84663073924375 0.88725165037195 0.76776466936566 15.999 > 3 25 O 0.15336926075625 0.13725165037195 0.48223533063434 15.999 > 4 26 O 0.65336926075625 0.13725165037195 0.48223533063434 15.999 > 4 27 O 0.15336926075625 0.63725165037195 0.48223533063434 15.999 > 4 28 O 0.65336926075625 0.63725165037195 0.48223533063434 15.999 > 4 29 O 0.15336926075625 0.13725165037195 0.98223533063434 15.999 > 4 30 O 0.65336926075625 0.13725165037195 0.98223533063434 15.999 > 4 31 O 0.15336926075625 0.63725165037195 0.98223533063434 15.999 > 4 32 O 0.65336926075625 0.63725165037195 0.98223533063434 15.999 > 4 *33 O 0.34281833790624 0.20588899350797 0.36979627785116 15.999 > 5 34 O 0.84281833790624 0.20588899350797 0.36979627785116 15.999 > 5 35 O 0.34281833790624 0.70588899350797 0.36979627785116 15.999 > 5 36 O 0.84281833790624 0.70588899350797 0.36979627785116 15.999 > 5 37 O 0.34281833790624 0.20588899350797 0.86979627785116 15.999 > 5 38 O 0.84281833790624 0.20588899350797 0.86979627785116 15.999 > 5 39 O 0.34281833790624 0.70588899350797 0.86979627785116 15.999 > 5 40 O 0.84281833790624 0.70588899350797 0.86979627785116 15.999 > 5 41 O 0.15718166209376 0.45588899350797 0.38020372214884 15.999 > 6 42 O 0.65718166209376 0.45588899350797 0.38020372214884 15.999 > 6 43 O 0.15718166209376 0.95588899350797 0.38020372214884 15.999 > 6 44 O 0.65718166209376 0.95588899350797 0.38020372214884 15.999 > 6 45 O 0.15718166209376 0.45588899350797 0.88020372214884 15.999 > 6 46 O 0.65718166209376 0.45588899350797 0.88020372214884 15.999 > 6 47 O 0.15718166209376 0.95588899350797 0.88020372214884 15.999 > 6 48 O 0.65718166209376 0.95588899350797 0.88020372214884 15.999 > 6 49 O 0.15718166209376 0.29411100649203 0.13020372214884 15.999 > 7 50 O 0.65718166209376 0.29411100649203 0.13020372214884 15.999 > 7 51 O 0.15718166209376 0.79411100649203 0.13020372214884 15.999 > 7 52 O 0.65718166209376 0.79411100649203 0.13020372214884 15.999 > 7 53 O 0.15718166209376 0.29411100649203 0.63020372214884 15.999 > 7 54 O 0.65718166209376 0.29411100649203 0.63020372214884 15.999 > 7 55 O 0.15718166209376 0.79411100649203 0.63020372214884 15.999 > 7 56 O 0.65718166209376 0.79411100649203 0.63020372214884 15.999 > 7 57 O 0.34281833790624 0.04411100649203 0.11979627785116 15.999 > 8 58 O 0.84281833790624 0.04411100649203 0.11979627785116 15.999 > 8 59 O 0.34281833790624 0.54411100649203 0.11979627785116 15.999 > 8 60 O 0.84281833790624 0.54411100649203 0.11979627785116 15.999 > 8 61 O 0.34281833790624 0.04411100649203 0.61979627785116 15.999 > 8 62 O 0.84281833790624 0.04411100649203 0.61979627785116 15.999 > 8 63 O 0.34281833790624 0.54411100649203 0.61979627785116 15.999 > 8 64 O 0.84281833790624 0.54411100649203 0.61979627785116 15.999 > 8 *65 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 9 66 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 9 67 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 9 68 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 9 69 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 9 70 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 9 71 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 9 72 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 9 73 O 0.00000000000000 0.25000000000000 0.25000000000000 15.999 > 10 74 O 0.50000000000000 0.25000000000000 0.25000000000000 15.999 > 10 75 O 0.00000000000000 0.75000000000000 0.25000000000000 15.999 > 10 76 O 0.50000000000000 0.75000000000000 0.25000000000000 15.999 > 10 77 O 0.00000000000000 0.25000000000000 0.75000000000000 15.999 > 10 78 O 0.50000000000000 0.25000000000000 0.75000000000000 15.999 > 10 79 O 0.00000000000000 0.75000000000000 0.75000000000000 15.999 > 10 80 O 0.50000000000000 0.75000000000000 0.75000000000000 15.999 > 10 *81 Ba 0.31744525155799 0.03752213896071 0.38939687503164 137.327 > 11 82 Ba 0.81744525155799 0.03752213896071 0.38939687503164 137.327 > 11 83 Ba 0.31744525155799 0.53752213896071 0.38939687503164 137.327 > 11 84 Ba 0.81744525155799 0.53752213896071 0.38939687503164 137.327 > 11 85 Ba 0.31744525155799 0.03752213896071 0.88939687503164 137.327 > 11 86 Ba 0.81744525155799 0.03752213896071 0.88939687503164 137.327 > 11 87 Ba 0.31744525155799 0.53752213896071 0.88939687503164 137.327 > 11 88 Ba 0.81744525155799 0.53752213896071 0.88939687503164 137.327 > 11 89 Ba 0.18255474844201 0.28752213896071 0.36060312496836 137.327 > 12 90 Ba 0.68255474844201 0.28752213896071 0.36060312496836 137.327 > 12 91 Ba 0.18255474844201 0.78752213896071 0.36060312496836 137.327 > 12 92 Ba 0.68255474844201 0.78752213896071 0.36060312496836 137.327 > 12 93 Ba 0.18255474844201 0.28752213896071 0.86060312496836 137.327 > 12 94 Ba 0.68255474844201 0.28752213896071 0.86060312496836 137.327 > 12 95 Ba 0.18255474844201 0.78752213896071 0.86060312496836 137.327 > 12 96 Ba 0.68255474844201 0.78752213896071 0.86060312496836 137.327 > 12 97 Ba 0.18255474844201 0.46247786103929 0.11060312496836 137.327 > 13 98 Ba 0.68255474844201 0.46247786103929 0.11060312496836 137.327 > 13 99 Ba 0.18255474844201 0.96247786103929 0.11060312496836 137.327 > 13 100 Ba 0.68255474844201 0.96247786103929 0.11060312496836 137.327 > 13 101 Ba 0.18255474844201 0.46247786103929 0.61060312496836 137.327 > 13 102 Ba 0.68255474844201 0.46247786103929 0.61060312496836 137.327 > 13 103 Ba 0.18255474844201 0.96247786103929 0.61060312496836 137.327 > 13 104 Ba 0.68255474844201 0.96247786103929 0.61060312496836 137.327 > 13 105 Ba 0.31744525155799 0.21247786103929 0.13939687503164 137.327 > 14 106 Ba 0.81744525155799 0.21247786103929 0.13939687503164 137.327 > 14 107 Ba 0.31744525155799 0.71247786103929 0.13939687503164 137.327 > 14 108 Ba 0.81744525155799 0.71247786103929 0.13939687503164 137.327 > 14 109 Ba 0.31744525155799 0.21247786103929 0.63939687503164 137.327 > 14 110 Ba 0.81744525155799 0.21247786103929 0.63939687503164 137.327 > 14 111 Ba 0.31744525155799 0.71247786103929 0.63939687503164 137.327 > 14 112 Ba 0.81744525155799 0.71247786103929 0.63939687503164 137.327 > 14 *113 Bi 0.06326548535608 0.06109895405160 0.36157791344528 208.980 > 15 114 Bi 0.56326548535608 0.06109895405160 0.36157791344528 208.980 > 15 115 Bi 0.06326548535608 0.56109895405160 0.36157791344528 208.980 > 15 116 Bi 0.56326548535608 0.56109895405160 0.36157791344528 208.980 > 15 117 Bi 0.06326548535608 0.06109895405160 0.86157791344528 208.980 > 15 118 Bi 0.56326548535608 0.06109895405160 0.86157791344528 208.980 > 15 119 Bi 0.06326548535608 0.56109895405160 0.86157791344528 208.980 > 15 120 Bi 0.56326548535608 0.56109895405160 0.86157791344528 208.980 > 15 121 Bi 0.43673451464392 0.31109895405160 0.38842208655472 208.980 > 16 122 Bi 0.93673451464392 0.31109895405160 0.38842208655472 208.980 > 16 123 Bi 0.43673451464392 0.81109895405160 0.38842208655472 208.980 > 16 124 Bi 0.93673451464392 0.81109895405160 0.38842208655472 208.980 > 16 125 Bi 0.43673451464392 0.31109895405160 0.88842208655472 208.980 > 16 126 Bi 0.93673451464392 0.31109895405160 0.88842208655472 208.980 > 16 127 Bi 0.43673451464392 0.81109895405160 0.88842208655472 208.980 > 16 128 Bi 0.93673451464392 0.81109895405160 0.88842208655472 208.980 > 16 129 Bi 0.43673451464392 0.43890104594840 0.13842208655472 208.980 > 17 130 Bi 0.93673451464392 0.43890104594840 0.13842208655472 208.980 > 17 131 Bi 0.43673451464392 0.93890104594840 0.13842208655472 208.980 > 17 132 Bi 0.93673451464392 0.93890104594840 0.13842208655472 208.980 > 17 133 Bi 0.43673451464392 0.43890104594840 0.63842208655472 208.980 > 17 134 Bi 0.93673451464392 0.43890104594840 0.63842208655472 208.980 > 17 135 Bi 0.43673451464392 0.93890104594840 0.63842208655472 208.980 > 17 136 Bi 0.93673451464392 0.93890104594840 0.63842208655472 208.980 > 17 137 Bi 0.06326548535608 0.18890104594840 0.11157791344528 208.980 > 18 138 Bi 0.56326548535608 0.18890104594840 0.11157791344528 208.980 > 18 139 Bi 0.06326548535608 0.68890104594840 0.11157791344528 208.980 > 18 140 Bi 0.56326548535608 0.68890104594840 0.11157791344528 208.980 > 18 141 Bi 0.06326548535608 0.18890104594840 0.61157791344528 208.980 > 18 142 Bi 0.56326548535608 0.18890104594840 0.61157791344528 208.980 > 18 143 Bi 0.06326548535608 0.68890104594840 0.61157791344528 208.980 > 18 144 Bi 0.56326548535608 0.68890104594840 0.61157791344528 208.980 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0422236 0.0000000 -0.3671981 0.0000000 5.2544418 0.0000000 -0.3672029 0.0000000 5.8285194 -------------------------- Born effective charges -------------------------- 1 O -2.2801435 0.0833330 0.2796974 0.1362615 -2.4784462 0.9415937 0.3741425 0.8831782 -3.1409500 2 O -2.2801435 -0.0833330 0.2796974 -0.1362615 -2.4784462 -0.9415937 0.3741425 -0.8831782 -3.1409500 3 O -2.2801435 0.0833330 0.2796974 0.1362615 -2.4784462 0.9415937 0.3741425 0.8831782 -3.1409500 4 O -2.2801435 -0.0833330 0.2796974 -0.1362615 -2.4784462 -0.9415937 0.3741425 -0.8831782 -3.1409500 5 O -2.4934537 -0.6958843 -0.1348908 -0.6403525 -2.7875075 -0.1705442 0.0520327 0.1477632 -1.8866359 6 O -2.4934537 0.6958843 -0.1348908 0.6403525 -2.7875075 0.1705442 0.0520327 -0.1477632 -1.8866359 7 O -2.4934537 -0.6958843 -0.1348908 -0.6403525 -2.7875075 -0.1705442 0.0520327 0.1477632 -1.8866359 8 O -2.4934537 0.6958843 -0.1348908 0.6403525 -2.7875075 0.1705442 0.0520327 -0.1477632 -1.8866359 9 O -2.7089465 -0.8762862 1.1822075 -0.8277250 -2.3553798 0.9231581 1.0605186 0.9052067 -3.4289385 10 O -2.7089465 0.8762862 1.1822075 0.8277250 -2.3553798 -0.9231581 1.0605186 -0.9052067 -3.4289385 11 Ba 3.1004615 -0.0512530 0.2124733 -0.1574843 2.8860027 -0.1239033 0.1731384 -0.0096711 2.4916077 12 Ba 3.1004615 0.0512530 0.2124733 0.1574843 2.8860027 0.1239033 0.1731384 0.0096711 2.4916077 13 Ba 3.1004615 -0.0512530 0.2124733 -0.1574843 2.8860027 -0.1239033 0.1731384 -0.0096711 2.4916077 14 Ba 3.1004615 0.0512530 0.2124733 0.1574843 2.8860027 0.1239033 0.1731384 0.0096711 2.4916077 15 Bi 3.0276090 0.0761358 -0.9483837 0.9129875 3.5576409 -0.7618644 -1.1295729 -0.6131237 4.2504475 16 Bi 3.0276090 -0.0761358 -0.9483837 -0.9129875 3.5576409 0.7618644 -1.1295729 0.6131237 4.2504475 17 Bi 3.0276090 0.0761358 -0.9483837 0.9129875 3.5576409 -0.7618644 -1.1295729 -0.6131237 4.2504475 18 Bi 3.0276090 -0.0761358 -0.9483837 -0.9129875 3.5576409 0.7618644 -1.1295729 0.6131237 4.2504475 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3042 Number of blocks in projector: 3042 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 144 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 652 / 652 (1) 147 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 144 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3042, 2998), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), data: True |-- (652, 642), data: False |-- (652, 8), data: (652, 18) @ (18, 8) |-- (152, 144), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (652, 643), data: False |-- (652, 5), data: (652, 14) @ (14, 5) |-- (152, 147), data: True |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (652, 642), data: False |-- (652, 8), data: (652, 18) @ (18, 8) |-- (152, 144), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 560 - Time: 2.250 Solver_block: 200 / 560 - Time: 1.612 Solver_block: 300 / 560 - Time: 1.779 Solver_block: 400 / 560 - Time: 1.972 Solver_block: 500 / 560 - Time: 1.397 Solver_block: 560 / 560 - Time: 1.058 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.608 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3042 Number of blocks in projector: 3042 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 144 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 652 / 652 (1) 147 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 144 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3042, 2998), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), data: True |-- (652, 642), data: False |-- (652, 8), data: (652, 18) @ (18, 8) |-- (152, 144), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (652, 643), data: False |-- (652, 5), data: (652, 14) @ (14, 5) |-- (152, 147), data: True |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (652, 642), data: False |-- (652, 8), data: (652, 18) @ (18, 8) |-- (152, 144), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:28:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:28:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.407595472260821 0.000000000000000 0.000000000000000 b 0.000000000000000 7.516224200000000 0.000000000000000 c -1.208273154601133 0.000000000000000 6.016410088605679 Atomic positions (fractional): 1 O 0.30673852151250 0.22549669925610 0.46447066126868 15.999 2 O 0.69326147848750 0.72549669925611 0.03552933873132 15.999 3 O 0.69326147848750 0.77450330074389 0.53552933873132 15.999 4 O 0.30673852151250 0.27450330074390 0.96447066126868 15.999 5 O 0.68563667581248 0.41177798701593 0.73959255570232 15.999 6 O 0.31436332418752 0.91177798701593 0.76040744429768 15.999 7 O 0.31436332418752 0.58822201298407 0.26040744429768 15.999 8 O 0.68563667581248 0.08822201298407 0.23959255570232 15.999 9 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 10 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 11 Ba 0.63489050311597 0.07504427792142 0.77879375006327 137.327 12 Ba 0.36510949688403 0.57504427792142 0.72120624993673 137.327 13 Ba 0.36510949688403 0.92495572207858 0.22120624993673 137.327 14 Ba 0.63489050311597 0.42495572207858 0.27879375006327 137.327 15 Bi 0.12653097071216 0.12219790810320 0.72315582689056 208.980 16 Bi 0.87346902928784 0.62219790810320 0.77684417310944 208.980 17 Bi 0.87346902928784 0.87780209189680 0.27684417310944 208.980 18 Bi 0.12653097071216 0.37780209189680 0.22315582689056 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.815190944521643 0.000000000000000 0.000000000000000 b 0.000000000000000 15.032448400000000 0.000000000000000 c -2.416546309202266 0.000000000000000 12.032820177211358 Atomic positions (fractional): 1 O 0.15336926075625 0.11274834962805 0.23223533063434 15.999 > 1 2 O 0.65336926075625 0.11274834962805 0.23223533063434 15.999 > 1 3 O 0.15336926075625 0.61274834962805 0.23223533063434 15.999 > 1 4 O 0.65336926075625 0.61274834962805 0.23223533063434 15.999 > 1 5 O 0.15336926075625 0.11274834962805 0.73223533063434 15.999 > 1 6 O 0.65336926075625 0.11274834962805 0.73223533063434 15.999 > 1 7 O 0.15336926075625 0.61274834962805 0.73223533063434 15.999 > 1 8 O 0.65336926075625 0.61274834962805 0.73223533063434 15.999 > 1 9 O 0.34663073924375 0.36274834962805 0.01776466936566 15.999 > 9 10 O 0.84663073924375 0.36274834962805 0.01776466936566 15.999 > 9 11 O 0.34663073924375 0.86274834962805 0.01776466936566 15.999 > 9 12 O 0.84663073924375 0.86274834962805 0.01776466936566 15.999 > 9 13 O 0.34663073924375 0.36274834962805 0.51776466936566 15.999 > 9 14 O 0.84663073924375 0.36274834962805 0.51776466936566 15.999 > 9 15 O 0.34663073924375 0.86274834962805 0.51776466936566 15.999 > 9 16 O 0.84663073924375 0.86274834962805 0.51776466936566 15.999 > 9 17 O 0.34663073924375 0.38725165037195 0.26776466936566 15.999 > 17 18 O 0.84663073924375 0.38725165037195 0.26776466936566 15.999 > 17 19 O 0.34663073924375 0.88725165037195 0.26776466936566 15.999 > 17 20 O 0.84663073924375 0.88725165037195 0.26776466936566 15.999 > 17 21 O 0.34663073924375 0.38725165037195 0.76776466936566 15.999 > 17 22 O 0.84663073924375 0.38725165037195 0.76776466936566 15.999 > 17 23 O 0.34663073924375 0.88725165037195 0.76776466936566 15.999 > 17 24 O 0.84663073924375 0.88725165037195 0.76776466936566 15.999 > 17 25 O 0.15336926075625 0.13725165037195 0.48223533063434 15.999 > 25 26 O 0.65336926075625 0.13725165037195 0.48223533063434 15.999 > 25 27 O 0.15336926075625 0.63725165037195 0.48223533063434 15.999 > 25 28 O 0.65336926075625 0.63725165037195 0.48223533063434 15.999 > 25 29 O 0.15336926075625 0.13725165037195 0.98223533063434 15.999 > 25 30 O 0.65336926075625 0.13725165037195 0.98223533063434 15.999 > 25 31 O 0.15336926075625 0.63725165037195 0.98223533063434 15.999 > 25 32 O 0.65336926075625 0.63725165037195 0.98223533063434 15.999 > 25 33 O 0.34281833790624 0.20588899350797 0.36979627785116 15.999 > 33 34 O 0.84281833790624 0.20588899350797 0.36979627785116 15.999 > 33 35 O 0.34281833790624 0.70588899350797 0.36979627785116 15.999 > 33 36 O 0.84281833790624 0.70588899350797 0.36979627785116 15.999 > 33 37 O 0.34281833790624 0.20588899350797 0.86979627785116 15.999 > 33 38 O 0.84281833790624 0.20588899350797 0.86979627785116 15.999 > 33 39 O 0.34281833790624 0.70588899350797 0.86979627785116 15.999 > 33 40 O 0.84281833790624 0.70588899350797 0.86979627785116 15.999 > 33 41 O 0.15718166209376 0.45588899350797 0.38020372214884 15.999 > 41 42 O 0.65718166209376 0.45588899350797 0.38020372214884 15.999 > 41 43 O 0.15718166209376 0.95588899350797 0.38020372214884 15.999 > 41 44 O 0.65718166209376 0.95588899350797 0.38020372214884 15.999 > 41 45 O 0.15718166209376 0.45588899350797 0.88020372214884 15.999 > 41 46 O 0.65718166209376 0.45588899350797 0.88020372214884 15.999 > 41 47 O 0.15718166209376 0.95588899350797 0.88020372214884 15.999 > 41 48 O 0.65718166209376 0.95588899350797 0.88020372214884 15.999 > 41 49 O 0.15718166209376 0.29411100649203 0.13020372214884 15.999 > 49 50 O 0.65718166209376 0.29411100649203 0.13020372214884 15.999 > 49 51 O 0.15718166209376 0.79411100649203 0.13020372214884 15.999 > 49 52 O 0.65718166209376 0.79411100649203 0.13020372214884 15.999 > 49 53 O 0.15718166209376 0.29411100649203 0.63020372214884 15.999 > 49 54 O 0.65718166209376 0.29411100649203 0.63020372214884 15.999 > 49 55 O 0.15718166209376 0.79411100649203 0.63020372214884 15.999 > 49 56 O 0.65718166209376 0.79411100649203 0.63020372214884 15.999 > 49 57 O 0.34281833790624 0.04411100649203 0.11979627785116 15.999 > 57 58 O 0.84281833790624 0.04411100649203 0.11979627785116 15.999 > 57 59 O 0.34281833790624 0.54411100649203 0.11979627785116 15.999 > 57 60 O 0.84281833790624 0.54411100649203 0.11979627785116 15.999 > 57 61 O 0.34281833790624 0.04411100649203 0.61979627785116 15.999 > 57 62 O 0.84281833790624 0.04411100649203 0.61979627785116 15.999 > 57 63 O 0.34281833790624 0.54411100649203 0.61979627785116 15.999 > 57 64 O 0.84281833790624 0.54411100649203 0.61979627785116 15.999 > 57 65 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 65 66 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 65 67 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 65 68 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 65 69 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 65 70 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 65 71 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 65 72 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 65 73 O 0.00000000000000 0.25000000000000 0.25000000000000 15.999 > 73 74 O 0.50000000000000 0.25000000000000 0.25000000000000 15.999 > 73 75 O 0.00000000000000 0.75000000000000 0.25000000000000 15.999 > 73 76 O 0.50000000000000 0.75000000000000 0.25000000000000 15.999 > 73 77 O 0.00000000000000 0.25000000000000 0.75000000000000 15.999 > 73 78 O 0.50000000000000 0.25000000000000 0.75000000000000 15.999 > 73 79 O 0.00000000000000 0.75000000000000 0.75000000000000 15.999 > 73 80 O 0.50000000000000 0.75000000000000 0.75000000000000 15.999 > 73 81 Ba 0.31744525155799 0.03752213896071 0.38939687503164 137.327 > 81 82 Ba 0.81744525155799 0.03752213896071 0.38939687503164 137.327 > 81 83 Ba 0.31744525155799 0.53752213896071 0.38939687503164 137.327 > 81 84 Ba 0.81744525155799 0.53752213896071 0.38939687503164 137.327 > 81 85 Ba 0.31744525155799 0.03752213896071 0.88939687503164 137.327 > 81 86 Ba 0.81744525155799 0.03752213896071 0.88939687503164 137.327 > 81 87 Ba 0.31744525155799 0.53752213896071 0.88939687503164 137.327 > 81 88 Ba 0.81744525155799 0.53752213896071 0.88939687503164 137.327 > 81 89 Ba 0.18255474844201 0.28752213896071 0.36060312496836 137.327 > 89 90 Ba 0.68255474844201 0.28752213896071 0.36060312496836 137.327 > 89 91 Ba 0.18255474844201 0.78752213896071 0.36060312496836 137.327 > 89 92 Ba 0.68255474844201 0.78752213896071 0.36060312496836 137.327 > 89 93 Ba 0.18255474844201 0.28752213896071 0.86060312496836 137.327 > 89 94 Ba 0.68255474844201 0.28752213896071 0.86060312496836 137.327 > 89 95 Ba 0.18255474844201 0.78752213896071 0.86060312496836 137.327 > 89 96 Ba 0.68255474844201 0.78752213896071 0.86060312496836 137.327 > 89 97 Ba 0.18255474844201 0.46247786103929 0.11060312496836 137.327 > 97 98 Ba 0.68255474844201 0.46247786103929 0.11060312496836 137.327 > 97 99 Ba 0.18255474844201 0.96247786103929 0.11060312496836 137.327 > 97 100 Ba 0.68255474844201 0.96247786103929 0.11060312496836 137.327 > 97 101 Ba 0.18255474844201 0.46247786103929 0.61060312496836 137.327 > 97 102 Ba 0.68255474844201 0.46247786103929 0.61060312496836 137.327 > 97 103 Ba 0.18255474844201 0.96247786103929 0.61060312496836 137.327 > 97 104 Ba 0.68255474844201 0.96247786103929 0.61060312496836 137.327 > 97 105 Ba 0.31744525155799 0.21247786103929 0.13939687503164 137.327 > 105 106 Ba 0.81744525155799 0.21247786103929 0.13939687503164 137.327 > 105 107 Ba 0.31744525155799 0.71247786103929 0.13939687503164 137.327 > 105 108 Ba 0.81744525155799 0.71247786103929 0.13939687503164 137.327 > 105 109 Ba 0.31744525155799 0.21247786103929 0.63939687503164 137.327 > 105 110 Ba 0.81744525155799 0.21247786103929 0.63939687503164 137.327 > 105 111 Ba 0.31744525155799 0.71247786103929 0.63939687503164 137.327 > 105 112 Ba 0.81744525155799 0.71247786103929 0.63939687503164 137.327 > 105 113 Bi 0.06326548535608 0.06109895405160 0.36157791344528 208.980 > 113 114 Bi 0.56326548535608 0.06109895405160 0.36157791344528 208.980 > 113 115 Bi 0.06326548535608 0.56109895405160 0.36157791344528 208.980 > 113 116 Bi 0.56326548535608 0.56109895405160 0.36157791344528 208.980 > 113 117 Bi 0.06326548535608 0.06109895405160 0.86157791344528 208.980 > 113 118 Bi 0.56326548535608 0.06109895405160 0.86157791344528 208.980 > 113 119 Bi 0.06326548535608 0.56109895405160 0.86157791344528 208.980 > 113 120 Bi 0.56326548535608 0.56109895405160 0.86157791344528 208.980 > 113 121 Bi 0.43673451464392 0.31109895405160 0.38842208655472 208.980 > 121 122 Bi 0.93673451464392 0.31109895405160 0.38842208655472 208.980 > 121 123 Bi 0.43673451464392 0.81109895405160 0.38842208655472 208.980 > 121 124 Bi 0.93673451464392 0.81109895405160 0.38842208655472 208.980 > 121 125 Bi 0.43673451464392 0.31109895405160 0.88842208655472 208.980 > 121 126 Bi 0.93673451464392 0.31109895405160 0.88842208655472 208.980 > 121 127 Bi 0.43673451464392 0.81109895405160 0.88842208655472 208.980 > 121 128 Bi 0.93673451464392 0.81109895405160 0.88842208655472 208.980 > 121 129 Bi 0.43673451464392 0.43890104594840 0.13842208655472 208.980 > 129 130 Bi 0.93673451464392 0.43890104594840 0.13842208655472 208.980 > 129 131 Bi 0.43673451464392 0.93890104594840 0.13842208655472 208.980 > 129 132 Bi 0.93673451464392 0.93890104594840 0.13842208655472 208.980 > 129 133 Bi 0.43673451464392 0.43890104594840 0.63842208655472 208.980 > 129 134 Bi 0.93673451464392 0.43890104594840 0.63842208655472 208.980 > 129 135 Bi 0.43673451464392 0.93890104594840 0.63842208655472 208.980 > 129 136 Bi 0.93673451464392 0.93890104594840 0.63842208655472 208.980 > 129 137 Bi 0.06326548535608 0.18890104594840 0.11157791344528 208.980 > 137 138 Bi 0.56326548535608 0.18890104594840 0.11157791344528 208.980 > 137 139 Bi 0.06326548535608 0.68890104594840 0.11157791344528 208.980 > 137 140 Bi 0.56326548535608 0.68890104594840 0.11157791344528 208.980 > 137 141 Bi 0.06326548535608 0.18890104594840 0.61157791344528 208.980 > 137 142 Bi 0.56326548535608 0.18890104594840 0.61157791344528 208.980 > 137 143 Bi 0.06326548535608 0.68890104594840 0.61157791344528 208.980 > 137 144 Bi 0.56326548535608 0.68890104594840 0.61157791344528 208.980 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0422236 0.0000000 -0.3671981 0.0000000 5.2544418 0.0000000 -0.3672029 0.0000000 5.8285194 -------------------------- Born effective charges -------------------------- 1 O -2.2801435 0.0833330 0.2796974 0.1362615 -2.4784462 0.9415937 0.3741425 0.8831782 -3.1409500 2 O -2.2801435 -0.0833330 0.2796974 -0.1362615 -2.4784462 -0.9415937 0.3741425 -0.8831782 -3.1409500 3 O -2.2801435 0.0833330 0.2796974 0.1362615 -2.4784462 0.9415937 0.3741425 0.8831782 -3.1409500 4 O -2.2801435 -0.0833330 0.2796974 -0.1362615 -2.4784462 -0.9415937 0.3741425 -0.8831782 -3.1409500 5 O -2.4934537 -0.6958843 -0.1348908 -0.6403525 -2.7875075 -0.1705442 0.0520327 0.1477632 -1.8866359 6 O -2.4934537 0.6958843 -0.1348908 0.6403525 -2.7875075 0.1705442 0.0520327 -0.1477632 -1.8866359 7 O -2.4934537 -0.6958843 -0.1348908 -0.6403525 -2.7875075 -0.1705442 0.0520327 0.1477632 -1.8866359 8 O -2.4934537 0.6958843 -0.1348908 0.6403525 -2.7875075 0.1705442 0.0520327 -0.1477632 -1.8866359 9 O -2.7089465 -0.8762862 1.1822075 -0.8277250 -2.3553798 0.9231581 1.0605186 0.9052067 -3.4289385 10 O -2.7089465 0.8762862 1.1822075 0.8277250 -2.3553798 -0.9231581 1.0605186 -0.9052067 -3.4289385 11 Ba 3.1004615 -0.0512530 0.2124733 -0.1574843 2.8860027 -0.1239033 0.1731384 -0.0096711 2.4916077 12 Ba 3.1004615 0.0512530 0.2124733 0.1574843 2.8860027 0.1239033 0.1731384 0.0096711 2.4916077 13 Ba 3.1004615 -0.0512530 0.2124733 -0.1574843 2.8860027 -0.1239033 0.1731384 -0.0096711 2.4916077 14 Ba 3.1004615 0.0512530 0.2124733 0.1574843 2.8860027 0.1239033 0.1731384 0.0096711 2.4916077 15 Bi 3.0276090 0.0761358 -0.9483837 0.9129875 3.5576409 -0.7618644 -1.1295729 -0.6131237 4.2504475 16 Bi 3.0276090 -0.0761358 -0.9483837 -0.9129875 3.5576409 0.7618644 -1.1295729 0.6131237 4.2504475 17 Bi 3.0276090 0.0761358 -0.9483837 0.9129875 3.5576409 -0.7618644 -1.1295729 -0.6131237 4.2504475 18 Bi 3.0276090 -0.0761358 -0.9483837 -0.9129875 3.5576409 0.7618644 -1.1295729 0.6131237 4.2504475 ---------------------------------------------------------------------------- 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000011 (zzz) -0.00000011 (zzz) -0.00000011 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (yz) -0.00000003 (yz) 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 07:29:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:29:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.407595472260821 0.000000000000000 0.000000000000000 b 0.000000000000000 7.516224200000000 0.000000000000000 c -1.208273154601133 0.000000000000000 6.016410088605679 Atomic positions (fractional): 1 O 0.30673852151250 0.22549669925610 0.46447066126868 15.999 2 O 0.69326147848750 0.72549669925611 0.03552933873132 15.999 3 O 0.69326147848750 0.77450330074389 0.53552933873132 15.999 4 O 0.30673852151250 0.27450330074390 0.96447066126868 15.999 5 O 0.68563667581248 0.41177798701593 0.73959255570232 15.999 6 O 0.31436332418752 0.91177798701593 0.76040744429768 15.999 7 O 0.31436332418752 0.58822201298407 0.26040744429768 15.999 8 O 0.68563667581248 0.08822201298407 0.23959255570232 15.999 9 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 10 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 11 Ba 0.63489050311597 0.07504427792142 0.77879375006327 137.327 12 Ba 0.36510949688403 0.57504427792142 0.72120624993673 137.327 13 Ba 0.36510949688403 0.92495572207858 0.22120624993673 137.327 14 Ba 0.63489050311597 0.42495572207858 0.27879375006327 137.327 15 Bi 0.12653097071216 0.12219790810320 0.72315582689056 208.980 16 Bi 0.87346902928784 0.62219790810320 0.77684417310944 208.980 17 Bi 0.87346902928784 0.87780209189680 0.27684417310944 208.980 18 Bi 0.12653097071216 0.37780209189680 0.22315582689056 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.815190944521643 0.000000000000000 0.000000000000000 b 0.000000000000000 15.032448400000000 0.000000000000000 c -2.416546309202266 0.000000000000000 12.032820177211358 Atomic positions (fractional): 1 O 0.15336926075625 0.11274834962805 0.23223533063434 15.999 > 1 2 O 0.65336926075625 0.11274834962805 0.23223533063434 15.999 > 1 3 O 0.15336926075625 0.61274834962805 0.23223533063434 15.999 > 1 4 O 0.65336926075625 0.61274834962805 0.23223533063434 15.999 > 1 5 O 0.15336926075625 0.11274834962805 0.73223533063434 15.999 > 1 6 O 0.65336926075625 0.11274834962805 0.73223533063434 15.999 > 1 7 O 0.15336926075625 0.61274834962805 0.73223533063434 15.999 > 1 8 O 0.65336926075625 0.61274834962805 0.73223533063434 15.999 > 1 9 O 0.34663073924375 0.36274834962805 0.01776466936566 15.999 > 9 10 O 0.84663073924375 0.36274834962805 0.01776466936566 15.999 > 9 11 O 0.34663073924375 0.86274834962805 0.01776466936566 15.999 > 9 12 O 0.84663073924375 0.86274834962805 0.01776466936566 15.999 > 9 13 O 0.34663073924375 0.36274834962805 0.51776466936566 15.999 > 9 14 O 0.84663073924375 0.36274834962805 0.51776466936566 15.999 > 9 15 O 0.34663073924375 0.86274834962805 0.51776466936566 15.999 > 9 16 O 0.84663073924375 0.86274834962805 0.51776466936566 15.999 > 9 17 O 0.34663073924375 0.38725165037195 0.26776466936566 15.999 > 17 18 O 0.84663073924375 0.38725165037195 0.26776466936566 15.999 > 17 19 O 0.34663073924375 0.88725165037195 0.26776466936566 15.999 > 17 20 O 0.84663073924375 0.88725165037195 0.26776466936566 15.999 > 17 21 O 0.34663073924375 0.38725165037195 0.76776466936566 15.999 > 17 22 O 0.84663073924375 0.38725165037195 0.76776466936566 15.999 > 17 23 O 0.34663073924375 0.88725165037195 0.76776466936566 15.999 > 17 24 O 0.84663073924375 0.88725165037195 0.76776466936566 15.999 > 17 25 O 0.15336926075625 0.13725165037195 0.48223533063434 15.999 > 25 26 O 0.65336926075625 0.13725165037195 0.48223533063434 15.999 > 25 27 O 0.15336926075625 0.63725165037195 0.48223533063434 15.999 > 25 28 O 0.65336926075625 0.63725165037195 0.48223533063434 15.999 > 25 29 O 0.15336926075625 0.13725165037195 0.98223533063434 15.999 > 25 30 O 0.65336926075625 0.13725165037195 0.98223533063434 15.999 > 25 31 O 0.15336926075625 0.63725165037195 0.98223533063434 15.999 > 25 32 O 0.65336926075625 0.63725165037195 0.98223533063434 15.999 > 25 33 O 0.34281833790624 0.20588899350797 0.36979627785116 15.999 > 33 34 O 0.84281833790624 0.20588899350797 0.36979627785116 15.999 > 33 35 O 0.34281833790624 0.70588899350797 0.36979627785116 15.999 > 33 36 O 0.84281833790624 0.70588899350797 0.36979627785116 15.999 > 33 37 O 0.34281833790624 0.20588899350797 0.86979627785116 15.999 > 33 38 O 0.84281833790624 0.20588899350797 0.86979627785116 15.999 > 33 39 O 0.34281833790624 0.70588899350797 0.86979627785116 15.999 > 33 40 O 0.84281833790624 0.70588899350797 0.86979627785116 15.999 > 33 41 O 0.15718166209376 0.45588899350797 0.38020372214884 15.999 > 41 42 O 0.65718166209376 0.45588899350797 0.38020372214884 15.999 > 41 43 O 0.15718166209376 0.95588899350797 0.38020372214884 15.999 > 41 44 O 0.65718166209376 0.95588899350797 0.38020372214884 15.999 > 41 45 O 0.15718166209376 0.45588899350797 0.88020372214884 15.999 > 41 46 O 0.65718166209376 0.45588899350797 0.88020372214884 15.999 > 41 47 O 0.15718166209376 0.95588899350797 0.88020372214884 15.999 > 41 48 O 0.65718166209376 0.95588899350797 0.88020372214884 15.999 > 41 49 O 0.15718166209376 0.29411100649203 0.13020372214884 15.999 > 49 50 O 0.65718166209376 0.29411100649203 0.13020372214884 15.999 > 49 51 O 0.15718166209376 0.79411100649203 0.13020372214884 15.999 > 49 52 O 0.65718166209376 0.79411100649203 0.13020372214884 15.999 > 49 53 O 0.15718166209376 0.29411100649203 0.63020372214884 15.999 > 49 54 O 0.65718166209376 0.29411100649203 0.63020372214884 15.999 > 49 55 O 0.15718166209376 0.79411100649203 0.63020372214884 15.999 > 49 56 O 0.65718166209376 0.79411100649203 0.63020372214884 15.999 > 49 57 O 0.34281833790624 0.04411100649203 0.11979627785116 15.999 > 57 58 O 0.84281833790624 0.04411100649203 0.11979627785116 15.999 > 57 59 O 0.34281833790624 0.54411100649203 0.11979627785116 15.999 > 57 60 O 0.84281833790624 0.54411100649203 0.11979627785116 15.999 > 57 61 O 0.34281833790624 0.04411100649203 0.61979627785116 15.999 > 57 62 O 0.84281833790624 0.04411100649203 0.61979627785116 15.999 > 57 63 O 0.34281833790624 0.54411100649203 0.61979627785116 15.999 > 57 64 O 0.84281833790624 0.54411100649203 0.61979627785116 15.999 > 57 65 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 65 66 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 65 67 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 65 68 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 65 69 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 65 70 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 65 71 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 65 72 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 65 73 O 0.00000000000000 0.25000000000000 0.25000000000000 15.999 > 73 74 O 0.50000000000000 0.25000000000000 0.25000000000000 15.999 > 73 75 O 0.00000000000000 0.75000000000000 0.25000000000000 15.999 > 73 76 O 0.50000000000000 0.75000000000000 0.25000000000000 15.999 > 73 77 O 0.00000000000000 0.25000000000000 0.75000000000000 15.999 > 73 78 O 0.50000000000000 0.25000000000000 0.75000000000000 15.999 > 73 79 O 0.00000000000000 0.75000000000000 0.75000000000000 15.999 > 73 80 O 0.50000000000000 0.75000000000000 0.75000000000000 15.999 > 73 81 Ba 0.31744525155799 0.03752213896071 0.38939687503164 137.327 > 81 82 Ba 0.81744525155799 0.03752213896071 0.38939687503164 137.327 > 81 83 Ba 0.31744525155799 0.53752213896071 0.38939687503164 137.327 > 81 84 Ba 0.81744525155799 0.53752213896071 0.38939687503164 137.327 > 81 85 Ba 0.31744525155799 0.03752213896071 0.88939687503164 137.327 > 81 86 Ba 0.81744525155799 0.03752213896071 0.88939687503164 137.327 > 81 87 Ba 0.31744525155799 0.53752213896071 0.88939687503164 137.327 > 81 88 Ba 0.81744525155799 0.53752213896071 0.88939687503164 137.327 > 81 89 Ba 0.18255474844201 0.28752213896071 0.36060312496836 137.327 > 89 90 Ba 0.68255474844201 0.28752213896071 0.36060312496836 137.327 > 89 91 Ba 0.18255474844201 0.78752213896071 0.36060312496836 137.327 > 89 92 Ba 0.68255474844201 0.78752213896071 0.36060312496836 137.327 > 89 93 Ba 0.18255474844201 0.28752213896071 0.86060312496836 137.327 > 89 94 Ba 0.68255474844201 0.28752213896071 0.86060312496836 137.327 > 89 95 Ba 0.18255474844201 0.78752213896071 0.86060312496836 137.327 > 89 96 Ba 0.68255474844201 0.78752213896071 0.86060312496836 137.327 > 89 97 Ba 0.18255474844201 0.46247786103929 0.11060312496836 137.327 > 97 98 Ba 0.68255474844201 0.46247786103929 0.11060312496836 137.327 > 97 99 Ba 0.18255474844201 0.96247786103929 0.11060312496836 137.327 > 97 100 Ba 0.68255474844201 0.96247786103929 0.11060312496836 137.327 > 97 101 Ba 0.18255474844201 0.46247786103929 0.61060312496836 137.327 > 97 102 Ba 0.68255474844201 0.46247786103929 0.61060312496836 137.327 > 97 103 Ba 0.18255474844201 0.96247786103929 0.61060312496836 137.327 > 97 104 Ba 0.68255474844201 0.96247786103929 0.61060312496836 137.327 > 97 105 Ba 0.31744525155799 0.21247786103929 0.13939687503164 137.327 > 105 106 Ba 0.81744525155799 0.21247786103929 0.13939687503164 137.327 > 105 107 Ba 0.31744525155799 0.71247786103929 0.13939687503164 137.327 > 105 108 Ba 0.81744525155799 0.71247786103929 0.13939687503164 137.327 > 105 109 Ba 0.31744525155799 0.21247786103929 0.63939687503164 137.327 > 105 110 Ba 0.81744525155799 0.21247786103929 0.63939687503164 137.327 > 105 111 Ba 0.31744525155799 0.71247786103929 0.63939687503164 137.327 > 105 112 Ba 0.81744525155799 0.71247786103929 0.63939687503164 137.327 > 105 113 Bi 0.06326548535608 0.06109895405160 0.36157791344528 208.980 > 113 114 Bi 0.56326548535608 0.06109895405160 0.36157791344528 208.980 > 113 115 Bi 0.06326548535608 0.56109895405160 0.36157791344528 208.980 > 113 116 Bi 0.56326548535608 0.56109895405160 0.36157791344528 208.980 > 113 117 Bi 0.06326548535608 0.06109895405160 0.86157791344528 208.980 > 113 118 Bi 0.56326548535608 0.06109895405160 0.86157791344528 208.980 > 113 119 Bi 0.06326548535608 0.56109895405160 0.86157791344528 208.980 > 113 120 Bi 0.56326548535608 0.56109895405160 0.86157791344528 208.980 > 113 121 Bi 0.43673451464392 0.31109895405160 0.38842208655472 208.980 > 121 122 Bi 0.93673451464392 0.31109895405160 0.38842208655472 208.980 > 121 123 Bi 0.43673451464392 0.81109895405160 0.38842208655472 208.980 > 121 124 Bi 0.93673451464392 0.81109895405160 0.38842208655472 208.980 > 121 125 Bi 0.43673451464392 0.31109895405160 0.88842208655472 208.980 > 121 126 Bi 0.93673451464392 0.31109895405160 0.88842208655472 208.980 > 121 127 Bi 0.43673451464392 0.81109895405160 0.88842208655472 208.980 > 121 128 Bi 0.93673451464392 0.81109895405160 0.88842208655472 208.980 > 121 129 Bi 0.43673451464392 0.43890104594840 0.13842208655472 208.980 > 129 130 Bi 0.93673451464392 0.43890104594840 0.13842208655472 208.980 > 129 131 Bi 0.43673451464392 0.93890104594840 0.13842208655472 208.980 > 129 132 Bi 0.93673451464392 0.93890104594840 0.13842208655472 208.980 > 129 133 Bi 0.43673451464392 0.43890104594840 0.63842208655472 208.980 > 129 134 Bi 0.93673451464392 0.43890104594840 0.63842208655472 208.980 > 129 135 Bi 0.43673451464392 0.93890104594840 0.63842208655472 208.980 > 129 136 Bi 0.93673451464392 0.93890104594840 0.63842208655472 208.980 > 129 137 Bi 0.06326548535608 0.18890104594840 0.11157791344528 208.980 > 137 138 Bi 0.56326548535608 0.18890104594840 0.11157791344528 208.980 > 137 139 Bi 0.06326548535608 0.68890104594840 0.11157791344528 208.980 > 137 140 Bi 0.56326548535608 0.68890104594840 0.11157791344528 208.980 > 137 141 Bi 0.06326548535608 0.18890104594840 0.61157791344528 208.980 > 137 142 Bi 0.56326548535608 0.18890104594840 0.61157791344528 208.980 > 137 143 Bi 0.06326548535608 0.68890104594840 0.61157791344528 208.980 > 137 144 Bi 0.56326548535608 0.68890104594840 0.61157791344528 208.980 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.0422236 0.0000000 -0.3671981 0.0000000 5.2544418 0.0000000 -0.3672029 0.0000000 5.8285194 -------------------------- Born effective charges -------------------------- 1 O -2.2801435 0.0833330 0.2796974 0.1362615 -2.4784462 0.9415937 0.3741425 0.8831782 -3.1409500 2 O -2.2801435 -0.0833330 0.2796974 -0.1362615 -2.4784462 -0.9415937 0.3741425 -0.8831782 -3.1409500 3 O -2.2801435 0.0833330 0.2796974 0.1362615 -2.4784462 0.9415937 0.3741425 0.8831782 -3.1409500 4 O -2.2801435 -0.0833330 0.2796974 -0.1362615 -2.4784462 -0.9415937 0.3741425 -0.8831782 -3.1409500 5 O -2.4934537 -0.6958843 -0.1348908 -0.6403525 -2.7875075 -0.1705442 0.0520327 0.1477632 -1.8866359 6 O -2.4934537 0.6958843 -0.1348908 0.6403525 -2.7875075 0.1705442 0.0520327 -0.1477632 -1.8866359 7 O -2.4934537 -0.6958843 -0.1348908 -0.6403525 -2.7875075 -0.1705442 0.0520327 0.1477632 -1.8866359 8 O -2.4934537 0.6958843 -0.1348908 0.6403525 -2.7875075 0.1705442 0.0520327 -0.1477632 -1.8866359 9 O -2.7089465 -0.8762862 1.1822075 -0.8277250 -2.3553798 0.9231581 1.0605186 0.9052067 -3.4289385 10 O -2.7089465 0.8762862 1.1822075 0.8277250 -2.3553798 -0.9231581 1.0605186 -0.9052067 -3.4289385 11 Ba 3.1004615 -0.0512530 0.2124733 -0.1574843 2.8860027 -0.1239033 0.1731384 -0.0096711 2.4916077 12 Ba 3.1004615 0.0512530 0.2124733 0.1574843 2.8860027 0.1239033 0.1731384 0.0096711 2.4916077 13 Ba 3.1004615 -0.0512530 0.2124733 -0.1574843 2.8860027 -0.1239033 0.1731384 -0.0096711 2.4916077 14 Ba 3.1004615 0.0512530 0.2124733 0.1574843 2.8860027 0.1239033 0.1731384 0.0096711 2.4916077 15 Bi 3.0276090 0.0761358 -0.9483837 0.9129875 3.5576409 -0.7618644 -1.1295729 -0.6131237 4.2504475 16 Bi 3.0276090 -0.0761358 -0.9483837 -0.9129875 3.5576409 0.7618644 -1.1295729 0.6131237 4.2504475 17 Bi 3.0276090 0.0761358 -0.9483837 0.9129875 3.5576409 -0.7618644 -1.1295729 -0.6131237 4.2504475 18 Bi 3.0276090 -0.0761358 -0.9483837 -0.9129875 3.5576409 0.7618644 -1.1295729 0.6131237 4.2504475 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000011 (zzz) -0.00000011 (zzz) -0.00000011 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 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: 0.60, Number of G-points: 299, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.234 ( 0.000 0.000 0.000) 0.000 1.457 ( 0.000 0.000 0.000) 0.000 1.528 ( 0.000 0.000 0.000) 0.000 1.905 ( 0.000 0.000 0.000) 0.000 2.120 ( 0.000 0.000 0.000) 0.000 2.281 ( 0.000 0.000 0.000) 0.000 2.312 ( 0.000 0.000 0.000) 0.000 2.326 ( 0.000 0.000 0.000) 0.000 2.469 ( 0.000 0.000 0.000) 0.000 2.738 ( 0.000 0.000 0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 3.093 ( 0.000 0.000 0.000) 0.000 3.157 ( 0.000 0.000 0.000) 0.000 3.174 ( 0.000 0.000 0.000) 0.000 3.293 ( 0.000 0.000 0.000) 0.000 3.519 ( 0.000 0.000 0.000) 0.000 3.522 ( 0.000 0.000 0.000) 0.000 3.642 ( 0.000 0.000 0.000) 0.000 3.686 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 4.261 ( 0.000 0.000 0.000) 0.000 4.290 ( 0.000 0.000 0.000) 0.000 4.728 ( 0.000 0.000 0.000) 0.000 5.086 ( 0.000 0.000 0.000) 0.000 5.129 ( 0.000 0.000 0.000) 0.000 5.523 ( 0.000 0.000 0.000) 0.000 5.662 ( 0.000 0.000 0.000) 0.000 6.018 ( 0.000 0.000 0.000) 0.000 6.442 ( 0.000 0.000 0.000) 0.000 7.200 ( 0.000 0.000 0.000) 0.000 7.331 ( 0.000 0.000 0.000) 0.000 7.658 ( 0.000 0.000 0.000) 0.000 7.823 ( 0.000 0.000 0.000) 0.000 8.437 ( 0.000 0.000 0.000) 0.000 8.642 ( 0.000 0.000 0.000) 0.000 9.503 ( 0.000 0.000 0.000) 0.000 9.655 ( 0.000 0.000 0.000) 0.000 9.820 ( 0.000 0.000 0.000) 0.000 9.935 ( 0.000 0.000 0.000) 0.000 10.006 ( 0.000 0.000 0.000) 0.000 12.193 ( 0.000 0.000 0.000) 0.000 13.415 ( 0.000 0.000 0.000) 0.000 14.368 ( 0.000 0.000 0.000) 0.000 14.435 ( 0.000 0.000 0.000) 0.000 14.891 ( 0.000 0.000 0.000) 0.000 15.218 ( 0.000 0.000 0.000) 0.000 17.055 ( 0.000 0.000 0.000) 0.000 17.096 ( 0.000 0.000 0.000) 0.000 17.253 ( 0.000 0.000 0.000) 0.000 17.556 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.299 ( 16.198 0.000 -2.692) 16.421 0.333 ( 13.808 0.000 18.501) 23.086 0.657 ( 32.999 0.000 -2.924) 33.129 1.368 ( 11.781 0.000 -0.611) 11.797 1.480 ( -1.232 0.000 9.132) 9.214 1.527 ( -0.026 0.000 1.375) 1.376 1.955 ( 4.976 0.000 -1.251) 5.131 2.022 ( -7.466 0.000 -7.653) 10.692 2.267 ( 0.231 0.000 0.336) 0.408 2.290 ( 1.541 0.000 -0.358) 1.582 2.486 ( 7.319 0.000 1.059) 7.395 2.530 ( 4.998 0.000 2.921) 5.789 2.773 ( 1.731 0.000 1.170) 2.090 2.936 ( -8.970 0.000 -4.379) 9.982 3.098 ( -6.398 0.000 0.898) 6.461 3.151 ( -9.331 0.000 3.648) 10.019 3.267 ( 5.170 0.000 1.278) 5.325 3.445 ( 4.129 0.000 0.693) 4.187 3.491 ( -0.551 0.000 -1.023) 1.162 3.606 ( -4.322 0.000 2.016) 4.769 3.659 ( 5.598 0.000 -26.701) 27.282 3.678 ( -0.874 0.000 0.961) 1.299 3.907 ( -2.085 0.000 3.564) 4.129 4.175 ( -3.709 0.000 -0.038) 3.710 4.253 ( -2.275 0.000 -1.191) 2.568 4.355 ( -5.449 0.000 15.314) 16.255 4.807 ( 6.924 0.000 1.742) 7.140 5.098 ( -5.475 0.000 4.700) 7.215 5.206 ( 1.620 0.000 -10.744) 10.865 5.504 ( 4.330 0.000 6.252) 7.605 5.842 ( 13.817 0.000 -12.284) 18.488 6.435 ( -0.308 0.000 0.108) 0.326 6.502 ( 10.712 0.000 -49.523) 50.668 7.225 ( 3.760 0.000 -6.197) 7.248 7.296 ( -4.166 0.000 3.008) 5.138 7.654 ( -1.112 0.000 3.821) 3.979 7.852 ( 4.324 0.000 -5.767) 7.208 8.613 ( -2.952 0.000 1.017) 3.122 9.230 ( -10.044 0.000 4.944) 11.195 9.551 ( -11.037 0.000 6.447) 12.782 9.838 ( 1.902 0.000 -2.166) 2.882 9.906 ( 1.520 0.000 -7.510) 7.662 10.109 ( 6.031 0.000 2.651) 6.588 10.503 ( 17.952 0.000 -83.714) 85.617 12.202 ( 0.833 0.000 0.461) 0.952 13.962 ( 5.456 0.000 -44.936) 45.266 14.410 ( 5.162 0.000 -7.271) 8.917 14.851 ( -2.061 0.000 -7.092) 7.386 15.016 ( -8.928 0.000 36.561) 37.635 15.241 ( 0.052 0.000 9.640) 9.640 17.058 ( 0.184 0.000 0.190) 0.265 17.244 ( -0.365 0.000 -2.392) 2.420 17.569 ( 1.352 0.000 -0.162) 1.362 17.914 ( -3.856 0.000 12.277) 12.868 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 16.004 0.000 -1.484) 16.073 0.674 ( 14.027 0.000 18.175) 22.959 1.205 ( 22.869 0.000 -2.248) 22.979 1.401 ( -7.389 0.000 0.191) 7.392 1.469 ( -2.178 0.000 -3.697) 4.291 1.724 ( 17.479 0.000 -0.728) 17.494 1.866 ( -4.071 0.000 -1.789) 4.447 2.072 ( 7.536 0.000 -0.595) 7.559 2.343 ( 6.966 0.000 1.303) 7.086 2.348 ( 4.832 0.000 -4.225) 6.419 2.599 ( 1.902 0.000 -0.243) 1.917 2.654 ( 5.445 0.000 5.508) 7.745 2.696 ( -9.498 0.000 -3.463) 10.110 2.806 ( -4.370 0.000 1.267) 4.549 2.960 ( -8.447 0.000 5.671) 10.174 3.014 ( -3.419 0.000 -0.380) 3.440 3.351 ( 4.506 0.000 -3.651) 5.799 3.382 ( -4.453 0.000 -6.231) 7.658 3.495 ( -7.905 0.000 3.033) 8.467 3.573 ( 3.886 0.000 0.553) 3.925 3.651 ( -3.113 0.000 3.476) 4.666 3.654 ( 1.679 0.000 -9.819) 9.962 3.871 ( -2.907 0.000 5.926) 6.600 4.100 ( -2.596 0.000 -1.111) 2.824 4.207 ( -2.139 0.000 -1.647) 2.700 4.301 ( -4.483 0.000 7.450) 8.695 4.955 ( 6.119 0.000 2.100) 6.469 5.003 ( -4.852 0.000 5.421) 7.275 5.204 ( 1.996 0.000 -5.374) 5.733 5.709 ( 12.503 0.000 1.152) 12.556 6.023 ( 8.605 0.000 -8.310) 11.963 6.384 ( -6.384 0.000 14.208) 15.577 6.577 ( 13.119 0.000 -36.632) 38.910 7.201 ( -7.014 0.000 5.590) 8.969 7.290 ( 5.792 0.000 -9.375) 11.020 7.645 ( -1.846 0.000 6.310) 6.574 7.955 ( 9.455 0.000 -8.911) 12.993 8.550 ( -3.706 0.000 1.407) 3.964 8.997 ( -15.634 0.000 6.828) 17.060 9.338 ( -11.866 0.000 4.576) 12.718 9.861 ( 1.191 0.000 -2.338) 2.623 9.923 ( 1.945 0.000 -4.131) 4.566 10.218 ( 4.257 0.000 1.286) 4.447 10.532 ( 7.938 0.000 -31.312) 32.302 12.226 ( 1.316 0.000 0.640) 1.463 13.891 ( -0.274 0.000 -15.319) 15.322 14.486 ( 5.193 0.000 -7.308) 8.965 14.780 ( -2.092 0.000 -6.532) 6.859 14.978 ( -5.492 0.000 16.596) 17.481 15.277 ( -0.508 0.000 9.843) 9.856 17.060 ( -0.006 0.000 -0.103) 0.104 17.227 ( -0.186 0.000 -2.739) 2.745 17.603 ( 2.181 0.000 -0.452) 2.227 17.878 ( -3.356 0.000 5.815) 6.714 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 13.413 0.000 -0.410) 13.420 1.004 ( 12.610 0.000 17.162) 21.296 1.207 ( -11.139 0.000 -0.091) 11.139 1.297 ( -8.458 0.000 -15.902) 18.011 1.481 ( 3.787 0.000 2.256) 4.408 1.923 ( 7.154 0.000 0.377) 7.164 2.018 ( 10.392 0.000 -0.739) 10.419 2.244 ( 10.078 0.000 0.797) 10.109 2.414 ( 2.089 0.000 -4.065) 4.571 2.477 ( -2.399 0.000 -3.501) 4.244 2.490 ( -3.275 0.000 2.107) 3.894 2.566 ( -2.589 0.000 0.498) 2.637 2.672 ( -3.536 0.000 2.536) 4.352 2.700 ( -5.268 0.000 0.687) 5.313 2.926 ( 1.488 0.000 1.252) 1.945 3.015 ( 1.637 0.000 5.441) 5.682 3.269 ( -3.641 0.000 -6.639) 7.572 3.337 ( -4.936 0.000 -0.661) 4.980 3.446 ( 4.049 0.000 -2.523) 4.771 3.586 ( -4.588 0.000 4.849) 6.676 3.609 ( 0.595 0.000 -1.246) 1.381 3.662 ( 0.971 0.000 -1.264) 1.594 3.858 ( -0.366 0.000 2.192) 2.222 4.072 ( -0.366 0.000 -0.574) 0.680 4.164 ( -1.392 0.000 -0.785) 1.599 4.252 ( -2.152 0.000 2.720) 3.468 4.962 ( -1.216 0.000 1.965) 2.311 5.025 ( 1.027 0.000 0.743) 1.268 5.242 ( 2.254 0.000 -1.743) 2.849 5.909 ( 6.311 0.000 0.224) 6.315 6.105 ( 2.402 0.000 -3.009) 3.850 6.331 ( -2.460 0.000 4.359) 5.005 6.684 ( 6.766 0.000 -13.411) 15.021 7.094 ( -4.969 0.000 4.527) 6.722 7.355 ( 3.223 0.000 -5.298) 6.201 7.634 ( -1.181 0.000 3.934) 4.107 8.125 ( 9.096 0.000 -6.235) 11.028 8.498 ( -1.741 0.000 0.675) 1.867 8.732 ( -11.625 0.000 5.121) 12.703 9.176 ( -5.151 0.000 1.568) 5.384 9.867 ( 0.261 0.000 -0.992) 1.026 9.938 ( 0.637 0.000 -1.282) 1.431 10.278 ( 1.477 0.000 0.387) 1.526 10.557 ( 2.547 0.000 -8.713) 9.078 12.249 ( 0.692 0.000 0.308) 0.757 13.844 ( -0.440 0.000 -4.173) 4.196 14.539 ( 2.197 0.000 -3.164) 3.852 14.733 ( -0.830 0.000 -2.453) 2.590 14.944 ( -2.194 0.000 5.605) 6.019 15.295 ( -0.364 0.000 3.975) 3.992 17.058 ( -0.104 0.000 -0.228) 0.251 17.218 ( 0.030 0.000 -1.071) 1.071 17.639 ( 1.371 0.000 -0.414) 1.432 17.840 ( -1.759 0.000 2.108) 2.745 ======================= Grid point 7 (5/116) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.295 ( 0.000 15.209 0.000) 15.209 0.420 ( 0.000 21.608 0.000) 21.608 0.749 ( 0.000 36.667 0.000) 36.667 1.226 ( 0.000 -0.313 0.000) 0.313 1.470 ( 0.000 3.280 0.000) 3.280 1.699 ( 0.000 14.831 0.000) 14.831 1.883 ( 0.000 -7.389 0.000) 7.389 2.131 ( 0.000 0.052 0.000) 0.052 2.243 ( 0.000 -1.889 0.000) 1.889 2.351 ( 0.000 1.849 0.000) 1.849 2.377 ( 0.000 4.679 0.000) 4.679 2.459 ( 0.000 -1.143 0.000) 1.143 2.709 ( 0.000 -4.642 0.000) 4.642 2.845 ( 0.000 0.734 0.000) 0.734 3.148 ( 0.000 -4.014 0.000) 4.014 3.159 ( 0.000 0.482 0.000) 0.482 3.194 ( 0.000 1.184 0.000) 1.184 3.370 ( 0.000 4.940 0.000) 4.940 3.494 ( 0.000 -3.896 0.000) 3.896 3.584 ( 0.000 5.717 0.000) 5.717 3.689 ( 0.000 1.596 0.000) 1.596 3.834 ( 0.000 2.978 0.000) 2.978 4.118 ( 0.000 -6.426 0.000) 6.426 4.254 ( 0.000 -3.446 0.000) 3.446 4.318 ( 0.000 2.349 0.000) 2.349 4.367 ( 0.000 -5.131 0.000) 5.131 4.792 ( 0.000 5.949 0.000) 5.949 5.066 ( 0.000 -1.715 0.000) 1.715 5.177 ( 0.000 -0.710 0.000) 0.710 5.511 ( 0.000 -1.264 0.000) 1.264 6.015 ( 0.000 -0.323 0.000) 0.323 6.465 ( 0.000 2.458 0.000) 2.458 6.754 ( 0.000 -5.647 0.000) 5.647 7.225 ( 0.000 -10.550 0.000) 10.550 7.661 ( 0.000 0.231 0.000) 0.231 7.688 ( 0.000 -5.918 0.000) 5.918 8.219 ( 0.000 15.010 0.000) 15.010 8.447 ( 0.000 1.014 0.000) 1.014 8.870 ( 0.000 -1.521 0.000) 1.521 9.396 ( 0.000 -7.590 0.000) 7.590 9.739 ( 0.000 4.570 0.000) 4.570 9.786 ( 0.000 -3.301 0.000) 3.301 9.974 ( 0.000 -2.296 0.000) 2.296 10.288 ( 0.000 -1.182 0.000) 1.182 12.571 ( 0.000 3.906 0.000) 3.906 13.361 ( 0.000 -5.504 0.000) 5.504 14.378 ( 0.000 0.947 0.000) 0.947 14.409 ( 0.000 -1.725 0.000) 1.725 15.015 ( 0.000 11.784 0.000) 11.784 16.166 ( 0.000 -3.906 0.000) 3.906 17.124 ( 0.000 2.549 0.000) 2.549 17.304 ( 0.000 5.601 0.000) 5.601 17.527 ( 0.000 -2.955 0.000) 2.955 18.315 ( 0.000 -5.272 0.000) 5.272 ======================= Grid point 8 (6/116) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 10.777 13.264 8.202) 18.957 0.608 ( 13.319 15.865 4.884) 21.282 0.908 ( 18.771 26.644 -5.584) 33.067 1.318 ( 7.438 -2.330 0.485) 7.809 1.523 ( 5.685 3.884 0.804) 6.932 1.678 ( -2.178 13.338 0.308) 13.519 1.903 ( 3.275 -5.818 -5.045) 8.369 2.049 ( -6.714 2.277 -3.640) 7.969 2.200 ( -1.710 -2.240 4.304) 5.145 2.393 ( 4.080 4.863 0.490) 6.367 2.481 ( 6.987 0.088 0.824) 7.036 2.512 ( 5.161 -1.007 2.532) 5.836 2.733 ( 1.230 -4.970 -0.102) 5.121 2.857 ( -2.501 -4.881 -3.570) 6.544 3.076 ( -4.818 -1.382 4.499) 6.735 3.128 ( -4.504 1.912 -1.634) 5.159 3.250 ( 3.826 -0.530 -1.235) 4.055 3.329 ( 0.779 -2.099 -3.483) 4.140 3.532 ( -1.287 -0.506 1.452) 2.005 3.574 ( 1.625 3.172 -1.450) 3.847 3.665 ( -2.375 4.854 -0.102) 5.405 3.802 ( -3.606 1.728 1.329) 4.214 4.078 ( -4.236 -4.519 -1.379) 6.346 4.104 ( -8.726 3.071 -3.859) 10.023 4.237 ( -1.826 -1.232 -1.122) 2.472 4.426 ( -1.679 1.550 7.344) 7.691 4.857 ( 5.485 5.077 3.384) 8.205 5.066 ( -1.837 -3.169 1.104) 3.826 5.158 ( 1.545 -1.230 -4.833) 5.221 5.614 ( 6.425 0.938 2.851) 7.091 5.945 ( -1.885 6.755 1.072) 7.095 6.456 ( -5.489 1.856 18.931) 19.798 6.594 ( 1.005 3.411 -41.051) 41.205 7.174 ( -2.095 -7.558 -1.591) 8.003 7.419 ( -9.228 9.932 -3.982) 14.131 7.657 ( -1.231 0.162 3.169) 3.404 7.927 ( 0.328 9.068 -3.497) 9.725 8.593 ( -1.299 -1.500 0.816) 2.145 9.210 ( -11.058 -2.510 5.418) 12.567 9.418 ( 10.988 -13.289 -8.851) 19.382 9.752 ( 2.712 -1.920 0.005) 3.323 9.904 ( 11.069 -12.636 -6.498) 18.011 9.977 ( 0.915 2.187 -2.402) 3.375 10.348 ( 10.242 -6.019 -26.588) 29.121 12.413 ( -6.531 13.080 -2.132) 14.774 13.637 ( 15.435 -22.069 -11.831) 29.415 14.294 ( -2.204 -2.669 -0.264) 3.471 14.552 ( 4.947 -7.272 7.407) 11.499 15.031 ( 1.095 12.541 3.754) 13.137 15.936 ( -15.958 16.555 -0.370) 22.997 17.119 ( -0.207 3.735 -1.474) 4.020 17.290 ( -0.873 5.432 -0.801) 5.559 17.545 ( 1.741 -2.709 -0.643) 3.284 18.025 ( -15.532 4.723 2.607) 16.443 ======================= Grid point 9 (7/116) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 13.004 10.145 8.021) 18.340 0.839 ( 9.999 16.858 7.220) 20.888 1.299 ( 15.924 10.378 -5.346) 19.745 1.392 ( 0.696 0.676 -1.891) 2.125 1.613 ( -2.774 12.197 -3.238) 12.921 1.724 ( 13.325 0.626 -1.837) 13.465 1.911 ( -1.427 3.913 -0.305) 4.176 1.994 ( 5.385 -6.342 -0.982) 8.378 2.263 ( 6.193 -1.850 2.952) 7.105 2.477 ( 4.438 4.344 -2.384) 6.652 2.573 ( -0.726 -3.144 -1.460) 3.541 2.630 ( 1.089 -0.014 3.151) 3.334 2.700 ( 1.676 -1.022 1.587) 2.525 2.816 ( -0.366 0.218 -0.947) 1.038 2.941 ( -8.891 -0.283 3.516) 9.565 3.023 ( -5.183 1.208 0.747) 5.374 3.310 ( -0.401 -3.441 -3.151) 4.683 3.345 ( 3.899 -2.100 -8.032) 9.172 3.518 ( -2.286 -2.682 5.238) 6.313 3.564 ( -0.970 5.105 -1.578) 5.431 3.625 ( -1.784 4.002 0.207) 4.387 3.717 ( -5.087 0.361 3.850) 6.390 3.940 ( -5.574 3.414 -2.516) 7.004 4.033 ( -1.390 -5.061 0.252) 5.255 4.191 ( -2.423 -1.206 -1.667) 3.179 4.394 ( -3.339 5.287 5.116) 8.079 4.975 ( 3.874 1.673 2.368) 4.839 5.011 ( -3.698 -0.122 4.852) 6.101 5.195 ( 3.829 -0.081 -4.254) 5.724 5.783 ( 10.262 4.265 2.934) 11.494 5.997 ( 5.481 -0.412 -6.617) 8.602 6.395 ( -5.839 0.642 13.254) 14.497 6.581 ( 9.055 0.666 -29.730) 31.086 7.140 ( -2.921 -5.753 1.656) 6.661 7.321 ( -0.519 2.512 -5.019) 5.636 7.640 ( -2.196 -0.537 5.534) 5.978 7.986 ( 7.029 3.277 -6.981) 10.435 8.550 ( -2.820 -0.155 1.266) 3.095 8.923 ( -18.021 -6.281 7.009) 20.331 9.410 ( -5.332 6.760 -0.201) 8.612 9.812 ( 3.066 -2.655 -2.669) 4.855 9.977 ( 0.579 1.827 -2.677) 3.292 10.075 ( 6.720 -13.728 -1.131) 15.326 10.434 ( 7.807 -7.068 -20.763) 23.281 12.346 ( -1.186 10.672 0.159) 10.739 13.760 ( 3.924 -14.623 -10.273) 18.297 14.286 ( 0.499 -10.167 0.901) 10.219 14.612 ( 0.386 -9.108 0.246) 9.120 15.082 ( 1.801 13.434 5.379) 14.582 15.698 ( -9.127 22.068 3.449) 24.129 17.103 ( -0.675 3.531 -2.159) 4.193 17.275 ( -0.215 5.303 -0.767) 5.363 17.580 ( 2.013 -2.439 -1.140) 3.362 17.844 ( -6.241 -3.336 4.087) 8.173 ======================= Grid point 10 (8/116) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 11.018 10.412 0.394) 15.165 1.089 ( 10.979 8.816 15.557) 20.982 1.247 ( -8.637 5.211 -0.510) 10.100 1.346 ( -7.600 5.374 -15.478) 18.062 1.642 ( 2.491 14.337 1.172) 14.599 1.934 ( 8.425 -0.104 -0.475) 8.439 1.999 ( 5.621 -0.732 0.369) 5.680 2.153 ( 10.715 -7.211 0.397) 12.922 2.393 ( -8.764 -6.908 -0.595) 11.175 2.420 ( 5.272 1.262 -2.033) 5.789 2.533 ( 0.382 3.215 0.430) 3.266 2.615 ( -4.607 3.994 0.027) 6.097 2.737 ( -0.368 6.512 1.193) 6.630 2.805 ( -1.620 8.499 0.738) 8.683 2.872 ( 1.108 -5.483 2.118) 5.981 2.971 ( -0.445 -5.359 1.705) 5.641 3.243 ( -2.783 -1.414 -3.186) 4.460 3.366 ( -1.169 0.562 -4.065) 4.267 3.468 ( 1.477 4.341 -1.640) 4.870 3.558 ( -5.266 -3.493 5.598) 8.443 3.598 ( 1.649 -1.379 0.706) 2.262 3.680 ( -0.242 4.528 -0.160) 4.537 3.862 ( -1.879 0.090 -0.532) 1.955 4.024 ( -0.031 -3.643 0.173) 3.647 4.143 ( -1.501 -1.927 -0.898) 2.602 4.356 ( -1.695 6.516 1.991) 7.021 4.980 ( -0.990 1.297 2.039) 2.611 5.012 ( 0.268 -1.404 0.489) 1.511 5.258 ( 2.565 2.181 -1.059) 3.530 5.973 ( 6.746 3.762 1.816) 7.934 6.044 ( 1.005 -3.658 -3.919) 5.454 6.355 ( -1.662 1.830 3.639) 4.399 6.648 ( 4.903 -2.806 -10.954) 12.325 7.071 ( -3.740 -2.200 3.286) 5.443 7.330 ( 1.896 -2.395 -4.014) 5.044 7.620 ( -1.451 -1.502 3.463) 4.044 8.116 ( 7.108 -0.575 -4.672) 8.525 8.518 ( 0.401 -0.312 -0.653) 0.828 8.630 ( -13.129 -5.151 5.263) 15.053 9.313 ( -3.372 11.090 0.475) 11.601 9.842 ( 0.930 -1.184 -1.166) 1.905 9.975 ( 0.104 2.395 -1.028) 2.608 10.157 ( 2.098 -12.858 0.073) 13.028 10.483 ( 2.684 -6.279 -6.848) 9.671 12.340 ( -0.001 8.775 0.242) 8.778 13.769 ( 0.559 -9.468 -3.407) 10.078 14.300 ( 0.429 -14.111 0.289) 14.121 14.604 ( -0.360 -8.581 -0.771) 8.623 15.124 ( 0.775 14.837 2.113) 15.007 15.595 ( -2.945 20.301 2.049) 20.616 17.084 ( -0.444 2.628 -1.171) 2.911 17.273 ( 0.081 5.479 -0.197) 5.483 17.606 ( 0.970 -3.040 -0.765) 3.281 17.780 ( -1.965 -6.136 1.958) 6.733 ======================= Grid point 14 (9/116) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 0.000 13.772 0.000) 13.772 0.813 ( 0.000 19.561 0.000) 19.561 1.097 ( 0.000 -2.016 0.000) 2.016 1.474 ( 0.000 25.382 0.000) 25.382 1.577 ( 0.000 7.562 0.000) 7.562 1.715 ( 0.000 -8.533 0.000) 8.533 2.022 ( 0.000 17.620 0.000) 17.620 2.105 ( 0.000 -2.567 0.000) 2.567 2.226 ( 0.000 0.265 0.000) 0.265 2.356 ( 0.000 -1.570 0.000) 1.570 2.412 ( 0.000 -4.110 0.000) 4.110 2.459 ( 0.000 2.981 0.000) 2.981 2.648 ( 0.000 -0.486 0.000) 0.486 2.858 ( 0.000 0.217 0.000) 0.217 3.084 ( 0.000 -2.390 0.000) 2.390 3.171 ( 0.000 -0.292 0.000) 0.292 3.241 ( 0.000 3.572 0.000) 3.572 3.374 ( 0.000 -6.823 0.000) 6.823 3.462 ( 0.000 4.842 0.000) 4.842 3.703 ( 0.000 6.344 0.000) 6.344 3.745 ( 0.000 2.546 0.000) 2.546 3.914 ( 0.000 5.058 0.000) 5.058 3.992 ( 0.000 -5.758 0.000) 5.758 4.154 ( 0.000 -7.042 0.000) 7.042 4.263 ( 0.000 -5.167 0.000) 5.167 4.323 ( 0.000 -1.963 0.000) 1.963 4.931 ( 0.000 8.266 0.000) 8.266 5.040 ( 0.000 -0.513 0.000) 0.513 5.157 ( 0.000 -1.302 0.000) 1.302 5.466 ( 0.000 -4.047 0.000) 4.047 6.020 ( 0.000 1.819 0.000) 1.819 6.535 ( 0.000 4.781 0.000) 4.781 6.589 ( 0.000 -11.526 0.000) 11.526 6.994 ( 0.000 -12.072 0.000) 12.072 7.630 ( 0.000 -1.075 0.000) 1.075 7.661 ( 0.000 -0.371 0.000) 0.371 8.472 ( 0.000 10.079 0.000) 10.079 8.477 ( 0.000 2.168 0.000) 2.168 8.854 ( 0.000 1.152 0.000) 1.152 9.258 ( 0.000 -6.883 0.000) 6.883 9.712 ( 0.000 -3.998 0.000) 3.998 9.740 ( 0.000 -4.140 0.000) 4.140 9.987 ( 0.000 3.928 0.000) 3.928 10.248 ( 0.000 -3.068 0.000) 3.068 12.679 ( 0.000 7.245 0.000) 7.245 13.218 ( 0.000 -9.108 0.000) 9.108 14.392 ( 0.000 -0.052 0.000) 0.052 14.397 ( 0.000 0.919 0.000) 0.919 15.289 ( 0.000 16.033 0.000) 16.033 16.053 ( 0.000 -7.981 0.000) 7.981 17.180 ( 0.000 3.309 0.000) 3.309 17.449 ( 0.000 -4.975 0.000) 4.975 17.466 ( 0.000 11.050 0.000) 11.050 18.170 ( 0.000 -9.745 0.000) 9.745 ======================= Grid point 15 (10/116) ======================= q-point: ( 0.14 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 12.264 11.648 1.551) 16.985 0.905 ( 9.456 15.919 3.362) 18.818 1.212 ( 10.039 -1.670 1.419) 10.275 1.499 ( 2.646 21.535 -4.466) 22.152 1.622 ( 6.043 4.805 2.564) 8.135 1.775 ( 4.913 -1.840 -5.436) 7.555 1.954 ( -3.013 11.509 -9.329) 15.118 2.106 ( -2.452 4.444 4.892) 7.050 2.169 ( -3.349 -0.816 2.487) 4.251 2.394 ( 2.692 -3.590 2.828) 5.304 2.470 ( 4.745 -4.788 -0.933) 6.806 2.513 ( 4.920 0.902 0.714) 5.053 2.651 ( 0.490 -0.613 -0.996) 1.268 2.820 ( -2.568 0.777 -1.952) 3.318 3.087 ( -2.185 0.332 7.365) 7.690 3.176 ( -0.681 2.182 -2.802) 3.616 3.235 ( -0.504 -0.968 0.903) 1.417 3.285 ( -4.041 -2.586 1.724) 5.098 3.522 ( 2.407 2.281 -1.819) 3.782 3.662 ( -2.059 4.011 -0.796) 4.578 3.781 ( 1.404 4.563 -1.048) 4.887 3.835 ( -6.710 1.736 2.098) 7.241 3.963 ( -3.208 -3.706 1.329) 5.078 4.097 ( -4.487 -2.914 -5.698) 7.816 4.211 ( -2.085 -2.113 -2.314) 3.764 4.389 ( 3.002 -4.694 3.587) 6.627 4.969 ( 1.880 5.572 3.766) 6.983 5.013 ( -2.450 -1.720 0.697) 3.073 5.157 ( 2.318 1.480 -1.398) 3.085 5.567 ( 8.434 -4.995 1.171) 9.872 6.032 ( 1.416 3.811 -1.073) 4.205 6.473 ( -10.021 -2.934 22.199) 24.532 6.592 ( 6.249 0.277 -26.665) 27.388 6.991 ( 0.576 -10.382 -2.231) 10.634 7.537 ( -7.829 3.498 -1.293) 8.672 7.653 ( -1.583 -0.719 2.837) 3.328 8.160 ( -10.643 13.049 2.710) 17.056 8.571 ( -1.051 -1.027 1.095) 1.833 9.094 ( -11.269 -7.956 5.290) 14.775 9.239 ( 23.368 -5.779 -11.074) 26.497 9.702 ( -2.506 -4.648 -1.501) 5.490 9.764 ( 3.759 -1.697 -3.690) 5.534 10.019 ( 2.617 2.419 -1.401) 3.829 10.257 ( 3.213 -4.578 -9.088) 10.671 12.629 ( -3.713 10.510 0.404) 11.154 13.307 ( 6.837 -14.211 0.592) 15.781 14.300 ( -3.925 2.004 -4.052) 5.987 14.464 ( 1.946 -3.274 0.717) 3.875 15.316 ( 1.969 16.358 3.385) 16.821 16.018 ( -3.849 -3.433 2.196) 5.606 17.180 ( 0.224 3.270 -1.669) 3.678 17.432 ( -1.694 5.679 1.310) 6.069 17.480 ( 1.666 -0.757 -1.968) 2.688 18.012 ( -13.179 -5.236 -1.187) 14.230 ======================= Grid point 16 (11/116) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 11.509 11.417 4.753) 16.894 1.134 ( 10.013 13.729 5.173) 17.762 1.394 ( 5.036 -0.521 -0.563) 5.094 1.564 ( 5.755 12.449 -7.738) 15.747 1.761 ( 3.454 2.272 -2.632) 4.901 1.847 ( 7.526 -2.991 -2.037) 8.351 1.892 ( 2.765 16.094 -5.403) 17.200 2.039 ( -4.441 5.592 4.129) 8.248 2.236 ( 8.146 -1.589 1.898) 8.513 2.422 ( -1.117 -5.826 -2.239) 6.340 2.521 ( 0.575 -5.940 -1.171) 6.082 2.635 ( 5.285 -4.038 5.455) 8.602 2.682 ( 3.748 2.929 -0.039) 4.757 2.801 ( 1.635 1.722 -0.656) 2.463 3.005 ( -7.883 4.358 3.703) 9.739 3.088 ( -6.230 5.104 -1.147) 8.135 3.258 ( -1.122 -1.237 -2.257) 2.808 3.272 ( 3.750 -5.562 0.725) 6.747 3.522 ( -1.230 1.908 1.877) 2.946 3.639 ( -4.755 2.203 -0.603) 5.275 3.676 ( -2.882 -0.286 3.409) 4.473 3.815 ( -0.591 11.325 -1.005) 11.384 3.901 ( -3.093 -5.794 -0.391) 6.579 3.981 ( -4.068 -0.561 -3.519) 5.408 4.160 ( -2.889 -2.323 -1.364) 3.950 4.428 ( -0.215 -1.957 2.647) 3.299 4.980 ( -1.321 -2.534 2.585) 3.853 4.990 ( -0.732 -0.483 2.269) 2.432 5.249 ( 6.293 6.204 -0.298) 8.842 5.754 ( 9.209 -5.951 1.029) 11.013 6.061 ( 2.437 5.084 -2.265) 6.076 6.383 ( -4.354 -2.618 7.015) 8.662 6.619 ( 4.519 3.611 -14.618) 15.721 7.005 ( 1.339 -7.923 -1.640) 8.201 7.382 ( -6.737 4.191 -0.676) 7.963 7.620 ( -3.280 -1.799 4.645) 5.964 8.078 ( 0.613 6.272 -2.525) 6.789 8.515 ( -5.540 -4.671 2.280) 7.597 8.844 ( -12.376 0.361 3.714) 12.926 9.560 ( 5.214 7.466 -7.292) 11.666 9.654 ( 4.964 -18.635 -0.754) 19.299 9.823 ( 3.232 -2.500 -3.212) 5.197 10.039 ( -0.423 1.922 0.275) 1.987 10.306 ( 5.303 -6.767 -10.858) 13.849 12.574 ( -2.091 12.778 1.030) 12.989 13.424 ( 4.679 -17.963 -0.188) 18.564 14.220 ( -2.891 1.022 -2.300) 3.833 14.473 ( -0.433 -6.186 -2.181) 6.574 15.380 ( 2.764 16.787 4.199) 17.523 15.940 ( -4.687 4.235 3.090) 7.032 17.172 ( -0.171 3.827 -3.213) 5.000 17.407 ( -1.195 7.192 1.397) 7.423 17.510 ( 2.245 -4.577 -2.403) 5.636 17.766 ( -10.720 -4.585 1.116) 11.712 ======================= Grid point 17 (12/116) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 9.263 9.348 3.518) 13.622 1.316 ( 6.279 13.181 8.160) 16.726 1.380 ( -3.614 7.134 -0.923) 8.050 1.506 ( -5.941 10.951 -12.392) 17.573 1.864 ( 7.412 -4.855 -2.550) 9.220 1.924 ( 1.850 8.939 1.772) 9.299 1.981 ( -3.275 -3.514 0.705) 4.855 2.083 ( 11.690 3.790 1.678) 12.403 2.295 ( -7.356 -1.521 -2.208) 7.830 2.464 ( 10.522 2.228 -2.804) 11.114 2.539 ( 1.781 -2.619 1.686) 3.587 2.712 ( -3.478 -1.138 1.805) 4.080 2.742 ( 1.956 -0.849 3.414) 4.025 2.807 ( -1.852 -4.184 0.792) 4.644 2.913 ( 1.659 6.113 -2.877) 6.957 2.973 ( -5.034 6.660 1.019) 8.410 3.198 ( -2.839 -2.034 -2.609) 4.359 3.352 ( 4.450 -2.239 -0.616) 5.020 3.455 ( -6.838 -2.697 4.332) 8.532 3.596 ( 2.355 3.631 1.713) 4.654 3.674 ( -1.198 5.485 -1.551) 5.825 3.790 ( -0.559 9.680 0.774) 9.727 3.828 ( -2.635 -3.605 -2.677) 5.206 3.955 ( 0.513 -2.911 0.598) 3.016 4.094 ( -2.658 -3.224 -1.047) 4.307 4.419 ( -0.874 -0.295 1.220) 1.530 4.972 ( -0.326 -2.255 0.672) 2.376 4.987 ( -0.179 -1.175 1.274) 1.742 5.345 ( 2.826 7.153 0.237) 7.695 5.869 ( 2.152 -8.489 0.134) 8.758 6.125 ( 3.907 5.217 -1.026) 6.598 6.353 ( -0.892 -3.013 0.810) 3.244 6.641 ( 1.585 3.385 -4.953) 6.205 7.014 ( -0.109 -4.075 0.334) 4.091 7.296 ( -1.805 0.156 -0.971) 2.055 7.575 ( -2.266 -3.453 2.779) 4.978 8.118 ( 3.097 1.088 -2.006) 3.847 8.395 ( -5.574 -8.322 1.025) 10.069 8.700 ( -3.656 9.118 1.138) 9.890 9.504 ( -2.678 6.113 -0.554) 6.697 9.809 ( 6.180 -12.239 -2.906) 14.016 9.853 ( 0.358 -5.379 -0.566) 5.421 10.020 ( -1.182 1.994 0.716) 2.426 10.353 ( 2.279 -7.304 -4.309) 8.781 12.553 ( -0.567 13.114 0.502) 13.136 13.482 ( 1.468 -18.283 -0.220) 18.343 14.176 ( -1.078 -0.470 -0.601) 1.321 14.451 ( -0.575 -7.524 -1.396) 7.674 15.436 ( 1.356 17.054 1.778) 17.200 15.880 ( -2.131 8.519 1.528) 8.914 17.154 ( -0.310 4.692 -1.926) 5.081 17.397 ( -0.380 6.454 0.775) 6.512 17.541 ( 1.748 -3.902 -2.448) 4.927 17.628 ( -4.269 -8.625 2.402) 9.918 ======================= Grid point 21 (13/116) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 0.000 11.213 0.000) 11.213 0.993 ( 0.000 -7.775 0.000) 7.775 1.158 ( 0.000 16.706 0.000) 16.706 1.447 ( 0.000 -13.623 0.000) 13.623 1.739 ( 0.000 8.879 0.000) 8.879 1.853 ( 0.000 1.718 0.000) 1.718 2.116 ( 0.000 8.482 0.000) 8.482 2.251 ( 0.000 1.953 0.000) 1.953 2.287 ( 0.000 -5.545 0.000) 5.545 2.322 ( 0.000 -4.488 0.000) 4.488 2.323 ( 0.000 12.845 0.000) 12.845 2.476 ( 0.000 -2.592 0.000) 2.592 2.686 ( 0.000 5.046 0.000) 5.046 2.818 ( 0.000 -5.649 0.000) 5.649 3.062 ( 0.000 0.122 0.000) 0.122 3.103 ( 0.000 -4.740 0.000) 4.740 3.308 ( 0.000 2.418 0.000) 2.418 3.320 ( 0.000 0.267 0.000) 0.267 3.564 ( 0.000 6.355 0.000) 6.355 3.701 ( 0.000 -6.851 0.000) 6.851 3.832 ( 0.000 7.596 0.000) 7.596 3.961 ( 0.000 0.759 0.000) 0.759 3.992 ( 0.000 1.701 0.000) 1.701 4.001 ( 0.000 -7.379 0.000) 7.379 4.201 ( 0.000 -0.243 0.000) 0.243 4.255 ( 0.000 -4.438 0.000) 4.438 5.050 ( 0.000 1.270 0.000) 1.270 5.062 ( 0.000 2.259 0.000) 2.259 5.170 ( 0.000 5.952 0.000) 5.952 5.339 ( 0.000 -9.022 0.000) 9.022 6.121 ( 0.000 9.003 0.000) 9.003 6.342 ( 0.000 -13.378 0.000) 13.378 6.644 ( 0.000 6.752 0.000) 6.752 6.793 ( 0.000 -9.046 0.000) 9.046 7.628 ( 0.000 0.652 0.000) 0.652 7.646 ( 0.000 -1.036 0.000) 1.036 8.525 ( 0.000 2.620 0.000) 2.620 8.560 ( 0.000 -0.107 0.000) 0.107 8.954 ( 0.000 8.610 0.000) 8.610 9.121 ( 0.000 -8.040 0.000) 8.040 9.652 ( 0.000 -1.812 0.000) 1.812 9.660 ( 0.000 -2.828 0.000) 2.828 10.080 ( 0.000 5.176 0.000) 5.176 10.174 ( 0.000 -4.567 0.000) 4.567 12.840 ( 0.000 9.504 0.000) 9.504 13.031 ( 0.000 -10.278 0.000) 10.278 14.400 ( 0.000 0.628 0.000) 0.628 14.407 ( 0.000 0.032 0.000) 0.032 15.595 ( 0.000 15.530 0.000) 15.530 15.861 ( 0.000 -12.201 0.000) 12.201 17.253 ( 0.000 4.446 0.000) 4.446 17.348 ( 0.000 -5.382 0.000) 5.382 17.703 ( 0.000 13.347 0.000) 13.347 17.954 ( 0.000 -12.670 0.000) 12.670 ======================= Grid point 22 (14/116) ======================= q-point: ( 0.14 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 11.709 9.721 -0.778) 15.238 1.088 ( 9.824 -4.008 -1.720) 10.748 1.236 ( 6.371 11.951 4.855) 14.387 1.477 ( 2.631 -11.578 2.748) 12.187 1.798 ( 6.352 10.124 -2.985) 12.318 1.946 ( 9.525 -0.398 -3.178) 10.049 2.042 ( -5.543 9.001 -6.356) 12.335 2.180 ( -5.966 -0.266 -3.650) 6.999 2.234 ( -3.640 3.686 -0.467) 5.201 2.321 ( 2.652 -4.110 -0.049) 4.891 2.389 ( 1.225 2.121 4.036) 4.722 2.489 ( 0.806 -3.810 3.372) 5.151 2.707 ( 2.405 6.259 -1.313) 6.833 2.827 ( 1.250 -2.862 -2.346) 3.907 3.070 ( -1.031 -1.111 7.154) 7.313 3.098 ( -1.162 -5.472 4.876) 7.421 3.274 ( -2.731 3.379 0.218) 4.350 3.298 ( -1.290 1.036 0.160) 1.662 3.608 ( 3.348 5.908 -2.955) 7.406 3.729 ( -2.124 -5.488 -0.207) 5.888 3.731 ( -4.476 3.137 -1.121) 5.580 3.824 ( -8.059 -4.367 -0.380) 9.174 4.021 ( 3.219 6.131 -1.436) 7.072 4.083 ( 0.748 1.379 -1.410) 2.109 4.163 ( -2.640 -0.849 -1.871) 3.345 4.265 ( 1.263 -7.795 3.367) 8.585 5.006 ( -3.841 0.695 1.150) 4.069 5.021 ( -3.679 -0.070 2.200) 4.287 5.253 ( 7.297 8.405 0.997) 11.175 5.430 ( 7.864 -9.082 1.587) 12.117 6.139 ( 1.723 7.958 -1.314) 8.248 6.322 ( -2.356 -10.391 2.836) 11.026 6.668 ( 3.329 6.246 -5.630) 9.044 6.809 ( 2.192 -8.536 -2.806) 9.249 7.590 ( -4.212 2.386 0.805) 4.907 7.629 ( -2.383 -1.708 2.339) 3.751 8.379 ( -11.429 9.721 5.162) 15.867 8.522 ( -5.793 -5.005 3.416) 8.384 9.020 ( -2.547 1.166 1.042) 2.989 9.114 ( 7.659 -7.135 -2.859) 10.851 9.675 ( 3.847 1.522 -7.594) 8.648 9.724 ( 5.755 -2.814 -6.737) 9.297 10.080 ( 0.338 3.992 -0.687) 4.065 10.166 ( 0.265 -4.858 -3.187) 5.816 12.834 ( -0.804 11.246 1.785) 11.415 13.058 ( 2.011 -12.333 2.102) 12.671 14.350 ( -2.922 3.008 -3.626) 5.544 14.408 ( -0.831 -2.940 -1.933) 3.615 15.623 ( 2.014 15.275 3.328) 15.763 15.875 ( 0.658 -10.856 3.086) 11.305 17.256 ( 0.487 4.769 -1.295) 4.965 17.358 ( 1.090 -5.698 -0.778) 5.853 17.655 ( -4.401 11.266 -0.524) 12.106 17.861 ( -8.484 -9.932 -1.112) 13.110 ======================= Grid point 23 (15/116) ======================= q-point: ( 0.29 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 11.914 9.638 0.129) 15.325 1.316 ( 12.619 -2.180 -2.008) 12.963 1.399 ( 7.273 7.984 5.320) 12.039 1.570 ( 5.592 -7.864 2.958) 10.093 1.885 ( -6.097 9.354 -8.559) 14.069 1.933 ( 6.484 9.711 -1.524) 11.776 2.027 ( -7.703 -4.815 -3.328) 9.675 2.152 ( 8.326 -9.817 -2.593) 13.131 2.205 ( 5.308 12.662 -2.935) 14.040 2.385 ( 4.494 -6.425 -1.024) 7.908 2.398 ( -1.286 4.424 3.039) 5.519 2.526 ( 0.697 -6.545 6.038) 8.932 2.762 ( 3.415 5.933 -1.250) 6.959 2.853 ( 2.502 -0.284 -2.272) 3.392 3.032 ( -5.445 0.132 4.797) 7.257 3.094 ( -3.934 -5.146 5.727) 8.646 3.250 ( 1.440 4.219 0.599) 4.498 3.286 ( 0.656 1.852 -2.268) 3.001 3.547 ( -8.396 2.290 1.938) 8.916 3.635 ( -2.870 -4.107 -0.836) 5.079 3.688 ( -0.518 2.615 0.202) 2.674 3.765 ( -1.083 -6.076 -0.437) 6.187 4.007 ( -3.892 3.680 -2.588) 5.948 4.079 ( 0.972 9.840 -0.107) 9.888 4.099 ( -3.648 -0.201 -1.085) 3.811 4.318 ( 1.938 -9.560 1.459) 9.863 4.949 ( -2.034 -0.285 2.257) 3.052 4.966 ( -2.507 -1.605 2.125) 3.657 5.410 ( 7.305 9.972 1.431) 12.444 5.602 ( 7.867 -9.602 1.440) 12.497 6.162 ( 1.420 6.034 -1.976) 6.506 6.289 ( -1.449 -6.643 0.483) 6.817 6.718 ( 3.637 6.504 -4.839) 8.885 6.855 ( 3.464 -7.685 -2.722) 8.858 7.477 ( -7.419 5.331 1.899) 9.331 7.567 ( -5.178 -3.833 3.677) 7.418 8.217 ( -5.757 8.093 1.047) 9.986 8.378 ( -8.810 -8.596 2.639) 12.588 8.964 ( -1.964 11.617 0.613) 11.798 9.261 ( 5.462 -18.954 -0.869) 19.745 9.714 ( 3.285 6.376 -7.450) 10.341 9.794 ( 3.766 -2.195 -5.330) 6.886 10.084 ( 0.171 3.346 -0.652) 3.413 10.178 ( 2.672 -6.295 -5.256) 8.625 12.828 ( -0.616 13.943 2.191) 14.128 13.107 ( 1.809 -15.538 2.389) 15.824 14.274 ( -3.077 4.107 -3.684) 6.317 14.365 ( -2.096 -5.260 -3.431) 6.620 15.686 ( 2.579 14.507 4.134) 15.303 15.901 ( 0.409 -7.452 3.895) 8.419 17.260 ( 0.663 5.623 -2.577) 6.221 17.381 ( 1.768 -6.674 -1.822) 7.141 17.558 ( -4.810 6.641 0.223) 8.203 17.673 ( -9.428 -5.348 -0.006) 10.839 ======================= Grid point 24 (16/116) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 7.436 8.193 0.854) 11.097 1.460 ( 1.546 0.739 -1.432) 2.234 1.556 ( 7.260 10.108 5.820) 13.739 1.688 ( 1.892 1.124 -2.656) 3.449 1.741 ( -1.503 0.311 -2.459) 2.899 1.868 ( -7.461 -7.299 -2.665) 10.772 2.036 ( 3.439 6.248 0.212) 7.135 2.176 ( 0.090 -3.349 -1.513) 3.676 2.367 ( -0.264 8.480 0.220) 8.487 2.439 ( 10.000 0.125 -1.902) 10.180 2.494 ( 5.512 -3.040 -1.453) 6.461 2.556 ( 0.495 -8.274 4.899) 9.628 2.807 ( 1.042 5.277 -1.677) 5.634 2.870 ( -4.605 5.905 2.576) 7.919 2.926 ( -0.154 -3.922 -2.298) 4.548 2.997 ( -6.268 -4.689 3.065) 8.406 3.266 ( -0.693 6.565 -1.270) 6.722 3.325 ( 3.003 -0.643 -1.409) 3.379 3.447 ( -2.612 4.279 5.146) 7.185 3.614 ( 0.442 -6.900 0.987) 6.984 3.690 ( 0.477 0.370 -1.064) 1.223 3.724 ( -2.305 -2.580 -0.938) 3.585 3.943 ( -1.240 2.205 -0.371) 2.557 4.009 ( -3.787 -2.853 -0.900) 4.826 4.096 ( 0.419 14.459 -0.198) 14.467 4.336 ( -0.079 -8.748 0.586) 8.768 4.939 ( -0.228 -0.758 0.738) 1.083 4.951 ( 0.141 -1.891 0.884) 2.092 5.515 ( 2.692 9.994 0.933) 10.392 5.701 ( 1.887 -9.318 0.810) 9.541 6.193 ( 2.230 2.932 -1.146) 3.858 6.267 ( -0.964 -4.866 -0.919) 5.045 6.757 ( 1.459 7.690 -1.476) 7.966 6.905 ( 1.882 -7.259 -0.915) 7.555 7.361 ( -3.952 6.080 1.014) 7.323 7.484 ( -3.386 -6.017 2.016) 7.192 8.163 ( -0.597 3.660 -0.417) 3.732 8.257 ( -3.633 -6.155 0.312) 7.154 8.941 ( -0.716 16.317 0.179) 16.334 9.305 ( 0.243 -20.665 -0.027) 20.667 9.750 ( 1.935 5.198 -2.389) 6.038 9.828 ( 1.204 -2.350 -1.881) 3.242 10.084 ( 0.052 5.066 -0.423) 5.084 10.209 ( 1.553 -7.585 -2.497) 8.135 12.826 ( -0.217 15.468 0.950) 15.499 13.138 ( 0.657 -17.366 1.016) 17.409 14.219 ( -1.332 4.174 -1.517) 4.636 14.320 ( -1.109 -6.251 -1.705) 6.574 15.737 ( 1.181 13.635 1.816) 13.806 15.916 ( -0.016 -4.343 1.764) 4.687 17.260 ( 0.279 6.554 -1.761) 6.792 17.407 ( 1.472 -8.700 -1.899) 9.026 17.492 ( -1.887 3.200 0.815) 3.803 17.535 ( -4.408 -1.972 1.105) 4.954 ======================= Grid point 49 (17/116) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( -10.005 0.000 17.763) 20.387 0.391 ( -5.448 0.000 18.068) 18.872 0.596 ( 4.903 0.000 26.946) 27.388 1.294 ( -1.548 0.000 5.533) 5.746 1.518 ( 2.030 0.000 -0.985) 2.256 1.814 ( 12.362 0.000 -5.699) 13.612 1.842 ( -0.529 0.000 -4.993) 5.021 1.951 ( 0.252 0.000 -8.864) 8.867 2.260 ( 0.734 0.000 -1.872) 2.011 2.299 ( -2.896 0.000 -2.236) 3.658 2.404 ( 2.874 0.000 -3.306) 4.381 2.515 ( 4.758 0.000 3.886) 6.143 2.785 ( -0.247 0.000 0.948) 0.980 2.901 ( -5.545 0.000 1.187) 5.671 2.914 ( -5.416 0.000 -12.093) 13.250 3.071 ( 8.606 0.000 -7.245) 11.250 3.104 ( 1.254 0.000 -6.575) 6.693 3.362 ( -0.460 0.000 5.465) 5.484 3.457 ( -1.958 0.000 -3.562) 4.065 3.601 ( 3.004 0.000 -7.610) 8.182 3.722 ( -0.881 0.000 5.811) 5.877 3.764 ( -11.010 0.000 3.002) 11.412 4.017 ( 0.946 0.000 6.161) 6.233 4.228 ( 0.084 0.000 1.028) 1.032 4.288 ( -0.448 0.000 1.410) 1.479 4.438 ( 3.915 0.000 7.397) 8.369 4.818 ( -1.332 0.000 8.633) 8.736 5.179 ( 3.076 0.000 4.054) 5.089 5.267 ( -9.851 0.000 8.210) 12.824 5.356 ( 6.011 0.000 -6.641) 8.957 5.889 ( -11.676 0.000 11.593) 16.454 6.071 ( -4.204 0.000 -3.508) 5.476 7.357 ( -10.482 0.000 15.107) 18.387 7.392 ( 1.945 0.000 5.536) 5.868 7.680 ( 3.556 0.000 1.899) 4.031 7.799 ( -5.717 0.000 -2.457) 6.223 8.473 ( 17.173 0.000 4.425) 17.734 8.634 ( 1.018 0.000 -0.807) 1.299 9.201 ( 12.246 0.000 -13.139) 17.961 9.442 ( 8.154 0.000 -17.982) 19.744 9.827 ( -4.160 0.000 1.239) 4.341 9.944 ( -5.679 0.000 0.308) 5.687 10.072 ( 2.805 0.000 5.281) 5.980 10.627 (-128.044 0.000 -1.854) 128.057 12.239 ( -0.734 0.000 4.524) 4.583 13.473 ( -4.531 0.000 3.350) 5.635 14.358 ( -1.691 0.000 -0.902) 1.917 14.764 ( -3.480 0.000 -8.990) 9.640 15.320 ( 6.890 0.000 7.010) 9.829 16.011 ( -28.898 0.000 -3.397) 29.097 17.042 ( 0.025 0.000 -0.514) 0.515 17.299 ( 39.073 0.000 -3.028) 39.190 17.302 ( -3.242 0.000 3.626) 4.864 17.569 ( 1.399 0.000 0.520) 1.492 ======================= Grid point 50 (18/116) ======================= q-point: ( 0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 6.800 0.000 15.707) 17.116 0.636 ( 21.776 0.000 6.511) 22.729 0.875 ( 12.924 0.000 22.742) 26.158 1.409 ( 9.416 0.000 4.535) 10.451 1.547 ( 0.997 0.000 0.142) 1.007 1.635 ( -14.250 0.000 -6.873) 15.820 1.864 ( 4.962 0.000 -6.109) 7.870 2.013 ( -4.695 0.000 3.508) 5.861 2.233 ( -2.103 0.000 -5.063) 5.482 2.271 ( 2.268 0.000 -0.049) 2.269 2.459 ( 4.560 0.000 -0.140) 4.562 2.567 ( 4.502 0.000 1.423) 4.721 2.687 ( -6.293 0.000 -14.276) 15.602 2.881 ( 1.702 0.000 4.324) 4.646 2.965 ( 3.861 0.000 -4.763) 6.131 3.163 ( 4.057 0.000 -8.831) 9.718 3.201 ( 10.244 0.000 -7.771) 12.858 3.303 ( -10.942 0.000 7.699) 13.379 3.403 ( 1.454 0.000 -5.167) 5.367 3.583 ( -1.816 0.000 -6.437) 6.688 3.637 ( -1.058 0.000 7.874) 7.945 3.735 ( -0.226 0.000 4.139) 4.145 4.031 ( -1.161 0.000 5.225) 5.353 4.225 ( -5.176 0.000 0.495) 5.200 4.229 ( -2.013 0.000 4.616) 5.036 4.520 ( 0.919 0.000 2.879) 3.022 4.851 ( 1.645 0.000 8.186) 8.349 5.127 ( -3.889 0.000 5.781) 6.967 5.218 ( 0.241 0.000 6.283) 6.288 5.578 ( 15.956 0.000 -8.234) 17.955 5.740 ( -6.516 0.000 11.308) 13.052 6.054 ( 3.727 0.000 -0.470) 3.757 7.235 ( -6.193 0.000 7.263) 9.545 7.409 ( -3.339 0.000 7.542) 8.248 7.688 ( -18.959 0.000 10.490) 21.667 7.752 ( 2.505 0.000 4.978) 5.572 7.768 ( -51.645 0.000 45.530) 68.849 8.619 ( -1.999 0.000 -0.787) 2.149 9.308 ( -13.474 0.000 4.162) 14.102 9.524 ( 6.249 0.000 -16.077) 17.249 9.539 ( 27.329 0.000 -21.828) 34.977 9.781 ( -10.325 0.000 4.158) 11.131 9.803 ( 0.245 0.000 -0.884) 0.918 10.173 ( 4.641 0.000 3.328) 5.711 12.257 ( 0.650 0.000 4.612) 4.657 13.649 ( 11.046 0.000 1.335) 11.127 14.342 ( 1.295 0.000 -2.308) 2.647 14.681 ( -1.550 0.000 -8.233) 8.378 15.441 ( 2.078 0.000 8.726) 8.970 15.513 ( -20.531 0.000 11.576) 23.570 17.032 ( -0.697 0.000 -1.888) 2.012 17.260 ( -1.984 0.000 2.850) 3.473 17.549 ( 1.503 0.000 -2.409) 2.840 17.796 ( 11.247 0.000 -10.970) 15.711 ======================= Grid point 51 (19/116) ======================= q-point: ( 0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 11.692 0.000 11.749) 16.575 1.038 ( 15.739 0.000 10.377) 18.852 1.206 ( 6.640 0.000 4.775) 8.179 1.398 ( -1.705 0.000 -0.055) 1.706 1.434 ( -7.666 0.000 2.933) 8.208 1.729 ( 15.540 0.000 0.343) 15.544 1.924 ( -4.806 0.000 4.316) 6.460 1.978 ( 9.130 0.000 -6.746) 11.352 2.209 ( 3.073 0.000 -6.529) 7.216 2.369 ( 6.493 0.000 0.406) 6.506 2.516 ( -4.920 0.000 -12.033) 13.000 2.530 ( 2.527 0.000 -3.869) 4.621 2.711 ( 7.780 0.000 0.599) 7.803 2.888 ( -4.480 0.000 6.128) 7.591 2.965 ( -1.917 0.000 -3.124) 3.666 3.095 ( -9.364 0.000 4.159) 10.246 3.166 ( -4.540 0.000 -9.446) 10.481 3.186 ( 3.354 0.000 -10.556) 11.077 3.488 ( -5.394 0.000 -4.816) 7.231 3.554 ( 8.725 0.000 -3.252) 9.311 3.700 ( 1.905 0.000 11.072) 11.235 3.722 ( -3.064 0.000 1.688) 3.498 4.009 ( -3.515 0.000 4.767) 5.923 4.128 ( -3.275 0.000 2.995) 4.438 4.210 ( -2.102 0.000 3.575) 4.147 4.476 ( -6.272 0.000 6.383) 8.949 4.956 ( 5.618 0.000 2.662) 6.216 5.154 ( 3.563 0.000 1.425) 3.837 5.197 ( -6.181 0.000 11.814) 13.333 5.770 ( 5.888 0.000 2.990) 6.604 5.845 ( 13.795 0.000 -6.104) 15.085 6.186 ( 9.985 0.000 -5.648) 11.472 7.031 ( -28.462 0.000 42.262) 50.953 7.174 ( -1.762 0.000 -0.092) 1.764 7.387 ( -5.656 0.000 12.827) 14.019 7.735 ( 7.654 0.000 -11.832) 14.092 7.823 ( 2.287 0.000 8.494) 8.796 8.561 ( -3.487 0.000 -0.693) 3.555 9.080 ( -13.921 0.000 2.452) 14.136 9.480 ( -9.764 0.000 5.720) 11.316 9.670 ( 2.664 0.000 -14.751) 14.989 9.832 ( 3.067 0.000 -0.144) 3.070 9.962 ( 23.663 0.000 -22.094) 32.374 10.261 ( 3.084 0.000 2.308) 3.852 12.294 ( 0.894 0.000 5.567) 5.639 13.817 ( 5.523 0.000 5.246) 7.617 14.397 ( 5.274 0.000 -3.158) 6.147 14.646 ( 0.919 0.000 -5.991) 6.061 15.237 ( -13.470 0.000 7.713) 15.522 15.455 ( -3.878 0.000 6.935) 7.946 17.008 ( -0.209 0.000 -3.482) 3.489 17.255 ( 0.009 0.000 3.925) 3.925 17.566 ( 1.623 0.000 -3.427) 3.791 17.856 ( 0.517 0.000 -5.571) 5.595 ======================= Grid point 52 (20/116) ======================= q-point: ( 0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 11.297 0.000 9.443) 14.724 1.025 ( -12.461 0.000 -7.390) 14.488 1.251 ( -11.488 0.000 4.132) 12.208 1.360 ( 11.938 0.000 11.362) 16.481 1.537 ( 1.373 0.000 5.909) 6.066 1.906 ( 2.866 0.000 -1.867) 3.421 1.981 ( 8.000 0.000 -3.979) 8.935 2.157 ( 12.867 0.000 -8.375) 15.352 2.297 ( 8.112 0.000 -6.328) 10.288 2.362 ( -3.684 0.000 -5.404) 6.541 2.514 ( 2.346 0.000 -0.475) 2.393 2.540 ( -0.370 0.000 -1.754) 1.793 2.732 ( -7.406 0.000 3.523) 8.202 2.781 ( -6.758 0.000 6.965) 9.705 2.883 ( -1.766 0.000 -4.892) 5.201 2.979 ( -4.579 0.000 -5.524) 7.175 3.161 ( 7.412 0.000 -4.306) 8.572 3.202 ( 1.730 0.000 -10.561) 10.701 3.398 ( 0.334 0.000 -3.613) 3.628 3.616 ( -7.384 0.000 -1.739) 7.586 3.645 ( 2.053 0.000 -0.618) 2.144 3.779 ( 1.274 0.000 13.789) 13.848 3.961 ( -3.296 0.000 5.287) 6.230 4.111 ( -0.535 0.000 2.888) 2.937 4.192 ( -0.851 0.000 4.271) 4.355 4.366 ( -6.931 0.000 6.128) 9.252 5.035 ( 1.304 0.000 2.203) 2.560 5.108 ( -7.087 0.000 11.758) 13.728 5.241 ( 4.042 0.000 2.204) 4.604 5.900 ( 5.356 0.000 -2.437) 5.885 6.046 ( 8.264 0.000 -1.801) 8.458 6.330 ( 5.281 0.000 -6.369) 8.274 6.823 ( -7.222 0.000 26.766) 27.724 7.164 ( 2.083 0.000 -6.164) 6.507 7.332 ( -5.409 0.000 15.572) 16.485 7.898 ( 0.240 0.000 14.087) 14.089 7.917 ( 15.632 0.000 -13.566) 20.698 8.493 ( -2.706 0.000 -1.068) 2.909 8.799 ( -15.186 0.000 2.323) 15.363 9.305 ( -9.548 0.000 10.862) 14.462 9.694 ( 5.841 0.000 -20.152) 20.981 9.888 ( 2.053 0.000 2.804) 3.475 10.304 ( 19.348 0.000 -13.405) 23.538 10.304 ( 0.511 0.000 1.550) 1.632 12.323 ( -0.605 0.000 6.507) 6.535 13.934 ( 4.175 0.000 10.635) 11.425 14.507 ( 6.750 0.000 -1.382) 6.890 14.673 ( 3.710 0.000 -2.965) 4.750 15.024 ( -10.959 0.000 2.048) 11.149 15.357 ( -7.472 0.000 1.673) 7.657 17.006 ( 1.205 0.000 -3.104) 3.330 17.281 ( 0.647 0.000 5.324) 5.363 17.582 ( 1.683 0.000 -5.236) 5.499 17.814 ( -2.503 0.000 -3.774) 4.529 ======================= Grid point 53 (21/116) ======================= q-point: (-0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -13.833 0.000 -5.797) 14.999 0.995 ( -13.738 0.000 8.417) 16.112 1.260 ( 9.663 0.000 5.109) 10.931 1.432 ( -6.386 0.000 -1.774) 6.627 1.640 ( 5.627 0.000 15.178) 16.187 1.894 ( -4.142 0.000 -2.009) 4.604 1.977 ( -4.219 0.000 -7.024) 8.194 2.191 ( -12.527 0.000 -0.737) 12.549 2.400 ( 12.228 0.000 -7.195) 14.188 2.431 ( 0.281 0.000 -9.723) 9.727 2.471 ( 1.018 0.000 1.039) 1.455 2.498 ( -3.222 0.000 -1.328) 3.485 2.657 ( -1.183 0.000 0.371) 1.240 2.739 ( 1.062 0.000 4.189) 4.321 2.785 ( -2.837 0.000 -8.303) 8.774 2.948 ( 2.126 0.000 -2.640) 3.390 3.239 ( 6.899 0.000 -9.979) 12.132 3.300 ( 6.829 0.000 -2.393) 7.236 3.450 ( -5.004 0.000 -5.483) 7.423 3.481 ( 5.345 0.000 -0.633) 5.382 3.648 ( -1.395 0.000 0.140) 1.402 3.852 ( 0.518 0.000 14.222) 14.231 3.905 ( -4.578 0.000 5.166) 6.903 4.127 ( 1.192 0.000 2.068) 2.387 4.209 ( 0.516 0.000 4.524) 4.553 4.283 ( -3.201 0.000 4.752) 5.730 5.028 ( -4.988 0.000 8.267) 9.655 5.029 ( -2.890 0.000 3.021) 4.181 5.309 ( 1.496 0.000 4.978) 5.198 5.902 ( -5.066 0.000 -0.881) 5.142 6.145 ( 2.439 0.000 0.046) 2.439 6.320 ( -3.211 0.000 -0.860) 3.324 6.927 ( 7.795 0.000 11.443) 13.846 7.220 ( 6.797 0.000 -8.126) 10.594 7.321 ( -2.482 0.000 21.631) 21.773 7.905 ( -6.891 0.000 19.820) 20.984 8.159 ( 8.911 0.000 -5.032) 10.234 8.468 ( 1.041 0.000 -1.947) 2.208 8.584 ( -2.457 0.000 -6.439) 6.892 9.232 ( -1.492 0.000 6.584) 6.751 9.737 ( 6.568 0.000 -18.673) 19.794 9.926 ( 0.271 0.000 4.324) 4.333 10.290 ( -2.390 0.000 0.844) 2.535 10.630 ( 18.128 0.000 -0.669) 18.140 12.317 ( -2.630 0.000 6.758) 7.252 14.078 ( 5.870 0.000 14.369) 15.522 14.645 ( 7.327 0.000 3.532) 8.134 14.766 ( 6.266 0.000 0.742) 6.309 14.822 ( -9.933 0.000 -2.640) 10.278 15.204 ( -7.229 0.000 -4.607) 8.572 17.022 ( 1.312 0.000 -2.054) 2.437 17.316 ( 0.424 0.000 6.455) 6.468 17.585 ( 0.893 0.000 -6.993) 7.050 17.741 ( -3.199 0.000 -5.266) 6.161 ======================= Grid point 54 (22/116) ======================= q-point: (-0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( -11.218 0.000 2.649) 11.527 0.752 ( -14.799 0.000 10.903) 18.382 1.245 ( -14.736 0.000 2.808) 15.001 1.424 ( 4.915 0.000 2.269) 5.414 1.563 ( -11.538 0.000 4.508) 12.387 1.762 ( -16.655 0.000 2.038) 16.779 1.971 ( 9.382 0.000 6.227) 11.261 1.996 ( -4.468 0.000 -5.730) 7.266 2.285 ( -6.221 0.000 -8.981) 10.925 2.316 ( -7.600 0.000 -1.725) 7.793 2.509 ( -1.106 0.000 -6.535) 6.628 2.584 ( -5.464 0.000 0.144) 5.466 2.665 ( 13.689 0.000 -7.084) 15.413 2.800 ( 1.838 0.000 1.183) 2.186 2.818 ( 7.800 0.000 -7.021) 10.494 3.021 ( 5.522 0.000 -2.322) 5.991 3.247 ( -4.421 0.000 -12.517) 13.274 3.391 ( 3.549 0.000 -1.941) 4.045 3.410 ( 6.471 0.000 -4.330) 7.785 3.592 ( -4.789 0.000 1.097) 4.913 3.651 ( 8.890 0.000 2.093) 9.133 3.845 ( -2.182 0.000 3.529) 4.149 3.902 ( -0.311 0.000 9.513) 9.518 4.168 ( 1.976 0.000 2.946) 3.547 4.237 ( 0.777 0.000 2.332) 2.458 4.285 ( 0.809 0.000 6.062) 6.116 4.951 ( -6.279 0.000 4.482) 7.714 4.993 ( -0.715 0.000 4.380) 4.438 5.344 ( -0.386 0.000 8.250) 8.259 5.714 ( -13.253 0.000 1.012) 13.292 6.145 ( -2.944 0.000 2.521) 3.876 6.251 ( -2.739 0.000 -3.287) 4.279 7.134 ( 9.249 0.000 4.405) 10.245 7.349 ( 8.100 0.000 -3.262) 8.732 7.445 ( 6.416 0.000 30.289) 30.961 7.792 ( -12.045 0.000 19.997) 23.345 8.120 ( -9.187 0.000 7.659) 11.961 8.513 ( 3.959 0.000 -1.946) 4.412 8.732 ( 17.952 0.000 -18.832) 26.018 9.278 ( 4.573 0.000 -2.676) 5.298 9.807 ( 7.056 0.000 -12.483) 14.339 9.928 ( -1.787 0.000 4.326) 4.680 10.222 ( -4.806 0.000 0.666) 4.852 11.031 ( 21.974 0.000 12.005) 25.039 12.282 ( -3.236 0.000 6.285) 7.069 14.251 ( 5.719 0.000 8.792) 10.488 14.582 ( -10.776 0.000 -15.553) 18.921 14.892 ( 13.682 0.000 28.244) 31.384 14.903 ( 5.135 0.000 4.979) 7.152 15.066 ( -2.600 0.000 -9.898) 10.234 17.035 ( 0.658 0.000 -1.229) 1.394 17.341 ( -0.560 0.000 6.653) 6.676 17.550 ( -1.688 0.000 -13.353) 13.460 17.644 ( -4.389 0.000 -6.014) 7.446 ======================= Grid point 55 (23/116) ======================= q-point: (-0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( -1.134 0.000 19.780) 19.813 0.524 ( -13.337 0.000 14.470) 19.678 0.836 ( -28.307 0.000 13.145) 31.210 1.425 ( -10.492 0.000 4.029) 11.239 1.505 ( -2.640 0.000 -0.264) 2.653 1.523 ( 7.493 0.000 2.686) 7.960 1.909 ( -3.613 0.000 -4.455) 5.736 2.082 ( -3.830 0.000 -8.132) 8.989 2.227 ( 7.114 0.000 1.470) 7.264 2.243 ( 0.654 0.000 -2.343) 2.433 2.435 ( -3.074 0.000 -6.027) 6.766 2.488 ( -3.792 0.000 1.724) 4.166 2.799 ( -1.780 0.000 2.364) 2.959 2.889 ( 12.181 0.000 -8.204) 14.686 2.937 ( 5.505 0.000 -7.381) 9.208 3.089 ( -6.131 0.000 -12.698) 14.101 3.098 ( 3.271 0.000 -5.440) 6.348 3.407 ( -2.634 0.000 -1.206) 2.897 3.496 ( -3.541 0.000 1.559) 3.869 3.529 ( 6.811 0.000 -6.401) 9.347 3.728 ( -1.523 0.000 5.541) 5.747 3.897 ( -3.410 0.000 2.600) 4.288 3.922 ( 6.646 0.000 3.522) 7.522 4.215 ( 1.340 0.000 1.488) 2.002 4.260 ( 1.372 0.000 1.400) 1.960 4.345 ( 2.174 0.000 9.256) 9.508 4.852 ( -5.539 0.000 7.660) 9.452 5.051 ( 5.857 0.000 0.749) 5.905 5.351 ( -2.826 0.000 8.763) 9.207 5.459 ( -11.894 0.000 1.050) 11.941 6.053 ( -8.296 0.000 6.682) 10.652 6.177 ( -3.400 0.000 -6.808) 7.609 7.297 ( 6.035 0.000 3.437) 6.945 7.455 ( -1.432 0.000 11.404) 11.494 7.649 ( -5.470 0.000 7.741) 9.479 7.821 ( 16.445 0.000 18.060) 24.425 7.998 ( -0.882 0.000 14.577) 14.603 8.587 ( 3.880 0.000 -1.236) 4.072 9.000 ( 15.902 0.000 -17.339) 23.527 9.359 ( 6.813 0.000 -13.122) 14.785 9.892 ( -3.497 0.000 3.526) 4.966 9.909 ( 6.540 0.000 -4.649) 8.024 10.120 ( -6.171 0.000 2.659) 6.720 11.527 ( 18.957 0.000 1.497) 19.016 12.250 ( -2.290 0.000 5.339) 5.809 14.091 ( -28.101 0.000 -28.967) 40.358 14.388 ( -1.320 0.000 0.890) 1.592 14.876 ( -4.556 0.000 -6.408) 7.863 15.143 ( 8.740 0.000 2.228) 9.019 15.575 ( 44.564 0.000 43.494) 62.271 17.040 ( 0.290 0.000 -0.594) 0.661 17.286 ( -19.371 0.000 -26.137) 32.533 17.339 ( -2.193 0.000 5.520) 5.939 17.577 ( -1.626 0.000 0.360) 1.666 ======================= Grid point 56 (24/116) ======================= q-point: ( 0.00 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( -1.020 13.276 7.245) 15.159 0.537 ( 2.012 9.084 15.051) 17.694 0.926 ( -3.004 24.598 12.875) 27.926 1.292 ( -1.735 0.181 6.047) 6.293 1.503 ( 2.050 -0.317 1.174) 2.383 1.656 ( 3.179 -2.015 -3.447) 5.103 1.836 ( -6.477 -3.129 -6.433) 9.650 2.026 ( 3.139 5.055 -4.577) 7.507 2.278 ( 2.811 -0.569 -0.244) 2.879 2.341 ( -3.916 2.537 -3.432) 5.792 2.377 ( 2.584 1.968 -1.619) 3.630 2.475 ( 2.695 -3.040 1.861) 4.468 2.725 ( 0.243 -6.368 1.729) 6.603 2.848 ( -4.322 -2.463 -3.252) 5.943 2.975 ( 0.542 4.414 -7.845) 9.018 3.021 ( 4.624 -0.435 -9.220) 10.324 3.192 ( 2.293 3.154 -2.281) 4.518 3.402 ( 1.126 2.851 1.859) 3.585 3.472 ( 2.139 -7.242 -4.129) 8.606 3.535 ( -3.069 6.038 -1.607) 6.962 3.711 ( -1.689 3.276 2.180) 4.282 3.881 ( -0.841 2.974 0.413) 3.118 4.117 ( -1.764 1.529 2.472) 3.400 4.191 ( -0.277 -0.422 -2.226) 2.282 4.248 ( -1.205 -3.621 -0.225) 3.822 4.467 ( 4.198 1.440 6.422) 7.806 4.810 ( -1.873 1.395 8.580) 8.892 5.166 ( 1.921 -1.353 5.425) 5.911 5.242 ( -5.836 -1.824 7.153) 9.410 5.420 ( 3.034 3.530 -6.877) 8.304 5.997 ( -1.820 7.132 5.165) 8.992 6.076 ( -4.849 2.019 -5.902) 7.901 7.220 ( -9.897 -10.409 17.089) 22.323 7.367 ( 1.166 -3.750 6.937) 7.971 7.679 ( 3.713 0.147 1.925) 4.185 7.839 ( -7.915 0.556 1.108) 8.011 8.431 ( 23.497 -4.461 4.834) 24.400 8.592 ( -4.726 -1.987 3.824) 6.396 9.123 ( 1.653 -5.761 -9.294) 11.059 9.406 ( -17.878 -17.100 7.554) 25.867 9.636 ( -9.151 -7.621 1.217) 11.971 9.825 ( -6.804 -0.391 2.951) 7.426 9.963 ( 1.415 -5.017 0.427) 5.230 10.414 ( -38.961 -7.673 8.650) 40.641 12.467 ( -3.170 12.729 -3.614) 13.607 13.407 ( -1.585 -6.573 3.137) 7.453 14.335 ( -3.109 -1.834 -0.822) 3.702 14.567 ( 2.333 -11.748 2.310) 12.198 15.151 ( 2.798 3.785 11.292) 12.234 16.108 ( -3.489 -0.482 -4.962) 6.085 17.106 ( -0.750 3.957 -1.314) 4.236 17.331 ( -1.354 3.972 1.936) 4.621 17.511 ( 0.328 -0.893 -2.670) 2.835 17.797 ( 10.472 20.876 -22.670) 32.548 ======================= Grid point 57 (25/116) ======================= q-point: ( 0.14 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 7.977 13.663 7.900) 17.683 0.720 ( 19.630 7.204 4.903) 21.478 1.038 ( 7.538 17.214 15.828) 24.570 1.378 ( 6.901 -2.398 5.184) 8.958 1.551 ( 1.749 1.029 0.381) 2.065 1.625 ( -6.032 2.739 -4.092) 7.787 1.768 ( 5.270 -7.087 -5.896) 10.619 2.062 ( -1.163 5.193 2.290) 5.793 2.254 ( -2.191 0.422 -3.177) 3.882 2.301 ( 1.809 2.580 -3.882) 5.000 2.462 ( 5.208 0.314 -2.964) 6.001 2.530 ( 5.083 -3.092 -2.580) 6.485 2.695 ( -4.827 0.842 -5.594) 7.436 2.797 ( 2.149 -6.876 2.161) 7.521 3.017 ( 1.184 4.254 -6.816) 8.121 3.065 ( 6.218 -1.187 -5.035) 8.088 3.214 ( -0.577 -1.823 -3.158) 3.692 3.295 ( -10.367 -0.441 4.158) 11.178 3.498 ( 1.613 6.665 -3.603) 7.746 3.554 ( 3.380 -1.429 -3.069) 4.784 3.698 ( -0.209 4.734 3.646) 5.979 3.821 ( -3.694 3.849 -1.767) 5.620 4.069 ( -3.617 1.943 4.026) 5.750 4.159 ( -4.470 -6.351 5.224) 9.360 4.212 ( -1.492 -1.289 -0.652) 2.077 4.540 ( 0.430 0.270 3.595) 3.631 4.864 ( 4.053 2.894 5.550) 7.457 5.125 ( -2.523 0.183 6.454) 6.932 5.217 ( -1.781 -0.655 6.388) 6.664 5.585 ( 13.680 0.319 -5.465) 14.735 5.934 ( -5.525 12.358 -1.898) 13.669 6.068 ( 5.961 3.201 -0.877) 6.823 7.100 ( -8.670 -9.666 13.657) 18.845 7.357 ( -7.266 -6.199 11.511) 14.958 7.661 ( -16.348 -2.053 11.876) 20.310 7.743 ( 1.050 -0.032 4.810) 4.923 8.003 ( -36.717 17.906 27.824) 49.426 8.600 ( -0.421 -1.520 -0.468) 1.645 9.195 ( 4.660 -8.735 -1.394) 9.998 9.299 ( 10.856 -13.098 -11.776) 20.690 9.670 ( 2.748 6.459 -9.488) 11.802 9.704 ( 0.580 -2.774 -3.140) 4.230 9.893 ( -5.033 0.255 -0.093) 5.040 10.173 ( 1.934 -0.059 0.036) 1.935 12.397 ( -2.169 12.023 1.514) 12.311 13.561 ( 9.967 -8.668 2.469) 13.438 14.293 ( -1.037 -3.722 -0.402) 3.885 14.581 ( 0.267 -8.753 -3.352) 9.376 15.226 ( -0.404 2.693 11.349) 11.671 15.927 ( -10.067 14.459 -1.381) 17.673 17.073 ( -1.867 3.529 -2.223) 4.569 17.312 ( -0.998 5.418 2.199) 5.932 17.522 ( 1.319 -2.750 -2.085) 3.694 17.846 ( 2.150 3.447 -12.206) 12.865 ======================= Grid point 58 (26/116) ======================= q-point: ( 0.29 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 9.751 12.448 7.567) 17.530 1.100 ( 15.468 5.616 6.273) 17.611 1.237 ( 2.279 4.552 1.834) 5.411 1.410 ( -3.885 2.355 4.394) 6.320 1.532 ( 2.084 8.555 0.097) 8.806 1.719 ( 13.511 -0.086 -0.591) 13.524 1.900 ( 9.400 -5.217 -3.100) 11.188 2.001 ( -4.590 5.757 2.477) 7.768 2.250 ( 3.829 2.004 -5.881) 7.298 2.373 ( 4.269 -0.323 -3.887) 5.782 2.452 ( -0.376 -2.705 -8.516) 8.944 2.612 ( 0.068 6.118 -4.657) 7.689 2.708 ( 9.546 -0.420 0.282) 9.560 2.832 ( -0.535 -6.248 2.036) 6.594 2.972 ( -3.888 0.946 -0.271) 4.010 3.084 ( -10.146 -0.666 2.614) 10.499 3.144 ( -2.921 -2.429 -9.637) 10.359 3.161 ( 4.108 0.759 -6.673) 7.872 3.503 ( -4.169 3.150 -5.457) 7.555 3.577 ( 4.235 -0.232 0.053) 4.242 3.723 ( -2.833 1.586 4.309) 5.395 3.760 ( -0.581 3.870 3.479) 5.236 4.010 ( -5.162 -0.828 5.739) 7.763 4.093 ( -2.212 -3.979 4.451) 6.367 4.186 ( -1.788 -1.148 2.252) 3.096 4.510 ( -4.597 1.750 4.534) 6.690 4.968 ( 4.287 1.136 1.759) 4.771 5.169 ( 1.113 0.211 6.689) 6.784 5.197 ( -1.349 1.568 6.733) 7.044 5.832 ( 12.324 -1.348 -3.394) 12.854 5.880 ( 1.476 8.964 -0.783) 9.119 6.208 ( 8.969 2.194 -5.652) 10.826 6.953 ( -15.203 -5.438 26.825) 31.310 7.177 ( -8.781 -3.343 8.399) 12.602 7.431 ( -9.480 4.726 16.509) 19.615 7.757 ( 2.529 1.066 -2.874) 3.974 7.870 ( 3.315 6.489 3.087) 7.913 8.561 ( -2.882 0.133 -0.496) 2.928 9.018 ( -15.247 -6.146 1.681) 16.525 9.443 ( -1.862 -3.065 2.893) 4.608 9.647 ( 4.166 -1.677 -15.401) 16.042 9.841 ( 5.434 -4.373 -3.830) 7.958 9.910 ( 13.055 -0.824 -11.422) 17.366 10.239 ( 4.019 -2.165 -0.418) 4.584 12.387 ( -0.476 9.077 4.012) 9.936 13.732 ( 6.290 -9.346 5.120) 12.374 14.285 ( 0.191 -7.419 -1.157) 7.511 14.582 ( 1.365 -7.532 -1.907) 7.888 15.213 ( -4.002 7.525 5.568) 10.181 15.754 ( -8.127 17.282 1.102) 19.129 17.033 ( -0.609 2.497 -3.506) 4.348 17.315 ( -0.052 5.838 3.394) 6.753 17.538 ( 1.384 -2.907 -3.259) 4.581 17.816 ( -1.315 -3.809 -4.838) 6.296 ======================= Grid point 59 (27/116) ======================= q-point: ( 0.43 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -5.425 7.583 -5.422) 10.786 1.099 ( 4.666 7.377 4.143) 9.662 1.282 ( -8.250 4.179 4.350) 10.220 1.412 ( 10.659 4.966 10.434) 15.721 1.659 ( 2.845 10.125 2.795) 10.882 1.921 ( 4.306 0.088 -1.808) 4.671 1.968 ( 3.206 0.319 -3.671) 4.885 2.104 ( 12.838 -3.145 -4.625) 14.003 2.294 ( -4.310 -5.655 -4.640) 8.490 2.352 ( 7.141 3.081 -6.528) 10.154 2.517 ( 2.676 1.147 -1.896) 3.474 2.590 ( -1.469 5.032 -2.105) 5.649 2.802 ( -1.849 0.704 2.424) 3.129 2.815 ( -3.813 7.183 2.050) 8.387 2.852 ( -5.062 -1.971 -1.111) 5.545 2.950 ( -2.801 -3.694 -2.895) 5.465 3.098 ( 3.857 -4.577 -8.341) 10.266 3.230 ( 5.196 1.106 -8.393) 9.933 3.394 ( -1.986 1.700 -5.492) 6.082 3.611 ( -6.482 -0.143 -1.405) 6.634 3.650 ( 1.373 -0.941 1.290) 2.106 3.798 ( -0.535 2.925 11.113) 11.504 3.948 ( -2.521 -1.588 5.838) 6.555 4.093 ( -0.990 -1.843 5.101) 5.513 4.170 ( -0.532 -1.810 3.702) 4.155 4.423 ( -5.405 3.813 3.665) 7.562 5.027 ( 0.974 -0.731 2.557) 2.832 5.117 ( -6.252 0.348 10.638) 12.345 5.273 ( 3.241 3.673 2.908) 5.697 5.929 ( 4.222 1.464 -6.127) 7.583 6.031 ( 7.055 -0.031 2.213) 7.394 6.330 ( 4.613 -0.324 -5.315) 7.045 6.824 ( -6.128 0.045 23.977) 24.748 7.126 ( 0.989 -4.157 -3.469) 5.504 7.346 ( -6.139 1.960 15.613) 16.891 7.831 ( 3.193 -3.553 4.520) 6.576 7.998 ( 9.141 4.898 -0.952) 10.414 8.501 ( -2.445 0.272 -1.027) 2.666 8.722 ( -14.980 -6.061 3.576) 16.550 9.358 ( -5.773 4.765 5.106) 9.061 9.681 ( 5.814 -1.086 -18.754) 19.665 9.905 ( 2.775 0.258 0.509) 2.833 10.124 ( 7.731 -12.214 -4.051) 15.012 10.342 ( 9.352 -1.042 -4.729) 10.531 12.394 ( -0.952 7.242 5.157) 8.942 13.861 ( 4.498 -9.794 10.237) 14.865 14.283 ( 0.197 -12.246 -2.252) 12.453 14.618 ( 1.909 -7.960 2.286) 8.499 15.136 ( -4.207 13.510 -1.258) 14.206 15.613 ( -6.197 17.626 -0.768) 18.700 17.033 ( 1.852 2.855 -2.622) 4.295 17.329 ( -0.083 4.757 4.438) 6.506 17.550 ( 1.594 -3.135 -4.872) 6.009 17.764 ( -2.555 -4.956 -2.702) 6.196 ======================= Grid point 60 (28/116) ======================= q-point: (-0.43 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -12.469 8.373 -7.395) 16.741 1.094 ( -10.492 8.964 6.369) 15.198 1.310 ( 7.497 5.538 5.120) 10.634 1.571 ( -1.687 11.088 -2.309) 11.451 1.690 ( 3.438 5.878 12.820) 14.516 1.927 ( -2.870 2.970 -2.589) 4.874 1.938 ( -4.277 -3.802 -5.577) 7.991 2.127 ( -11.019 -5.374 0.493) 12.270 2.325 ( 6.937 -3.207 -4.811) 9.031 2.445 ( 1.082 -1.330 -4.045) 4.393 2.503 ( -3.206 1.966 -0.783) 3.841 2.534 ( 2.020 4.406 -6.340) 7.980 2.727 ( -2.655 5.957 -0.142) 6.524 2.758 ( -2.480 -2.535 -4.957) 6.095 2.798 ( 0.543 4.776 -0.259) 4.814 2.943 ( 2.799 -0.599 -1.978) 3.480 3.204 ( 8.685 -4.036 -4.711) 10.673 3.297 ( 4.529 0.127 -8.889) 9.977 3.414 ( 3.146 -4.334 -7.129) 8.917 3.482 ( -2.890 1.747 -0.762) 3.462 3.661 ( -1.256 0.986 3.549) 3.891 3.801 ( -2.945 0.124 9.055) 9.522 3.975 ( 2.158 1.790 7.775) 8.265 4.085 ( -1.287 -2.699 4.410) 5.328 4.194 ( 0.994 -1.419 4.104) 4.454 4.354 ( -2.375 4.803 1.929) 5.695 5.026 ( -2.542 -0.143 3.287) 4.158 5.042 ( -4.652 0.875 8.039) 9.330 5.320 ( 0.146 1.658 5.128) 5.392 5.923 ( -4.128 1.013 -3.023) 5.216 6.120 ( 1.579 -1.522 2.157) 3.076 6.324 ( -2.868 0.052 -1.885) 3.433 6.912 ( 6.273 -1.431 12.840) 14.362 7.171 ( 4.692 -4.864 -2.330) 7.148 7.331 ( -1.295 1.462 16.962) 17.074 7.856 ( -5.516 -4.469 16.659) 18.109 8.155 ( 4.128 -0.575 -0.876) 4.259 8.511 ( 6.856 0.164 -5.237) 8.629 8.524 ( -5.032 -0.944 -0.014) 5.120 9.310 ( -0.042 6.973 0.629) 7.002 9.725 ( 6.130 -1.002 -17.370) 18.447 9.948 ( 0.868 1.758 2.843) 3.453 10.156 ( -2.137 -13.453 0.454) 13.629 10.569 ( 13.582 -5.444 1.270) 14.687 12.387 ( -1.764 6.992 5.118) 8.843 13.995 ( 4.194 -15.242 15.716) 22.291 14.269 ( -0.694 -13.866 -2.973) 14.198 14.645 ( -1.190 -8.094 3.106) 8.751 15.061 ( -2.178 15.766 -3.815) 16.367 15.539 ( 0.474 20.600 -3.418) 20.887 17.071 ( 2.403 4.555 -1.497) 5.363 17.344 ( -0.338 3.015 5.412) 6.205 17.566 ( 2.335 -1.795 -6.306) 6.961 17.698 ( -2.928 -4.334 -3.702) 6.408 ======================= Grid point 61 (29/116) ======================= q-point: (-0.29 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -10.198 10.845 -2.601) 15.113 0.906 ( -11.866 12.071 7.797) 18.636 1.395 ( -4.985 10.268 4.410) 12.237 1.442 ( -8.373 6.328 -0.851) 10.530 1.624 ( -9.861 3.119 1.955) 10.525 1.790 ( -10.554 4.489 1.964) 11.636 1.969 ( -0.670 -1.835 -1.766) 2.633 1.990 ( 6.689 0.746 4.987) 8.377 2.196 ( -9.088 -2.304 -2.855) 9.801 2.393 ( -5.288 1.077 -6.878) 8.742 2.512 ( -1.862 0.174 -6.356) 6.625 2.568 ( 1.167 0.899 -2.619) 3.005 2.683 ( 4.519 0.104 -1.811) 4.869 2.764 ( 1.899 -2.961 -4.340) 5.587 2.851 ( 5.187 2.768 -4.005) 7.113 3.027 ( 5.539 1.295 -2.659) 6.279 3.256 ( -3.848 -1.202 -6.668) 7.792 3.343 ( 4.989 -0.078 -5.192) 7.201 3.393 ( 1.868 -6.189 -5.774) 8.668 3.581 ( 5.659 0.198 -1.446) 5.844 3.662 ( 2.796 2.098 4.639) 5.808 3.773 ( -2.973 0.990 6.918) 7.595 4.067 ( 4.331 6.247 5.284) 9.258 4.090 ( 0.217 -5.350 4.578) 7.045 4.225 ( 0.806 -1.030 1.830) 2.249 4.348 ( 0.578 4.008 2.360) 4.687 4.963 ( -5.369 0.958 3.748) 6.618 5.005 ( -1.237 1.151 5.056) 5.331 5.330 ( -1.642 -1.065 8.322) 8.549 5.749 ( -12.034 2.592 -0.486) 12.320 6.123 ( -2.269 -1.399 3.383) 4.307 6.248 ( -3.219 -0.529 -4.055) 5.204 7.104 ( 8.537 -3.034 7.149) 11.541 7.269 ( 3.239 -7.548 10.434) 13.278 7.445 ( 6.382 0.904 15.135) 16.450 7.778 ( -7.365 -1.785 18.225) 19.737 8.115 ( -6.941 -0.189 5.858) 9.084 8.514 ( 2.810 -0.319 -2.267) 3.624 8.725 ( 16.327 -0.289 -12.308) 20.449 9.352 ( 5.024 6.916 -6.812) 10.930 9.785 ( 5.832 -1.827 -11.022) 12.603 9.956 ( -1.387 2.655 3.354) 4.497 10.077 ( -5.964 -15.252 0.849) 16.399 10.845 ( 11.038 -14.992 13.653) 23.087 12.379 ( -0.238 8.532 3.842) 9.360 14.076 ( -6.035 -38.985 8.544) 40.364 14.269 ( 3.764 1.231 4.778) 6.206 14.574 ( -6.103 -3.916 -1.640) 7.435 15.035 ( 0.219 11.805 0.236) 11.809 15.643 ( 11.796 21.691 -1.534) 24.739 17.102 ( 1.348 5.577 -1.334) 5.891 17.355 ( -0.909 1.811 5.527) 5.887 17.592 ( 1.688 2.227 -3.059) 4.143 17.629 ( -0.328 -0.370 -11.657) 11.667 ======================= Grid point 62 (30/116) ======================= q-point: (-0.14 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( -2.285 11.790 7.480) 14.148 0.678 ( -15.878 9.883 9.814) 21.121 1.090 ( -17.981 20.809 8.953) 28.922 1.360 ( -5.225 -1.659 3.993) 6.783 1.515 ( -3.805 1.016 -1.098) 4.088 1.638 ( -2.314 8.908 -1.148) 9.275 1.935 ( -2.455 0.934 -1.985) 3.292 2.057 ( -2.875 -1.137 -6.140) 6.874 2.180 ( 6.865 -0.774 2.101) 7.221 2.318 ( 1.796 3.135 -1.453) 3.895 2.424 ( -3.759 -0.371 -5.136) 6.376 2.497 ( -4.611 1.481 -0.417) 4.861 2.741 ( -1.665 -5.943 0.806) 6.224 2.844 ( 7.409 -2.710 -4.548) 9.106 2.936 ( 5.361 -0.491 -7.828) 9.500 3.061 ( -1.114 0.862 -10.671) 10.763 3.176 ( -0.436 4.037 -2.394) 4.713 3.358 ( 0.421 -5.095 -0.734) 5.164 3.445 ( 3.966 -3.204 -5.683) 7.635 3.591 ( -1.734 5.527 0.307) 5.801 3.739 ( -2.506 3.943 5.301) 7.066 3.817 ( 6.825 -1.535 1.538) 7.163 4.113 ( 0.478 -1.745 3.506) 3.945 4.172 ( 4.245 3.993 -1.782) 6.094 4.241 ( 1.071 -0.893 -0.549) 1.499 4.382 ( 1.231 1.692 6.887) 7.197 4.863 ( -6.190 1.633 7.046) 9.520 5.054 ( 4.958 0.250 1.726) 5.256 5.316 ( -3.902 -3.047 9.367) 10.595 5.519 ( -9.748 4.133 -1.502) 10.694 6.060 ( -5.625 1.195 5.727) 8.116 6.174 ( -2.607 -0.388 -7.001) 7.481 7.267 ( 5.019 -3.159 5.679) 8.210 7.324 ( -5.064 -11.629 20.009) 23.691 7.598 ( 3.885 -1.005 2.125) 4.541 7.903 ( 14.709 -2.081 24.475) 28.631 7.990 ( -6.097 5.202 2.613) 8.430 8.571 ( 3.166 -1.326 -1.143) 3.618 8.978 ( 14.507 -2.119 -15.149) 21.081 9.427 ( 6.363 5.808 -13.368) 15.903 9.854 ( 0.475 -3.859 5.495) 6.732 9.908 ( -6.095 -7.493 1.489) 9.773 9.951 ( -4.387 -9.589 -1.432) 10.642 10.982 ( -10.212 -33.671 18.990) 39.983 12.433 ( 5.047 10.749 0.491) 11.885 13.760 ( -24.935 -28.960 -5.734) 38.643 14.398 ( 0.381 0.816 2.835) 2.975 14.475 ( 0.586 -10.521 6.978) 12.638 15.067 ( 2.010 8.267 5.323) 10.036 15.955 ( 17.601 7.240 0.643) 19.043 17.114 ( 0.486 4.420 -1.740) 4.775 17.347 ( -1.584 2.750 3.437) 4.678 17.546 ( -2.575 -0.610 -3.226) 4.172 17.671 ( 8.944 20.341 -18.851) 29.140 ======================= Grid point 63 (31/116) ======================= q-point: ( 0.00 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -2.233 10.486 8.789) 13.863 0.792 ( 4.061 16.097 -0.549) 16.611 1.154 ( 1.444 -1.617 4.464) 4.962 1.442 ( 1.258 8.305 -5.943) 10.290 1.586 ( 1.663 10.439 1.125) 10.631 1.680 ( -7.608 3.958 -0.324) 8.582 1.861 ( -5.228 7.105 -5.674) 10.489 2.121 ( 4.780 5.449 -1.959) 7.509 2.260 ( 1.342 -0.021 0.354) 1.388 2.331 ( -0.467 -5.170 -4.476) 6.855 2.408 ( -1.513 -2.631 -0.734) 3.123 2.469 ( 1.296 4.596 0.625) 4.815 2.607 ( 1.384 -3.617 -1.435) 4.130 2.832 ( -2.650 0.286 -2.198) 3.455 3.006 ( 6.585 -0.751 -9.152) 11.300 3.059 ( 1.885 2.518 -6.544) 7.261 3.253 ( -0.227 3.100 0.500) 3.148 3.324 ( 5.769 -6.641 -5.121) 10.178 3.475 ( -2.202 4.902 2.195) 5.805 3.664 ( -1.336 6.500 -1.934) 6.912 3.793 ( -1.795 4.241 1.360) 4.802 3.928 ( 1.386 1.873 -1.460) 2.749 4.018 ( -0.177 -6.509 6.326) 9.078 4.141 ( -2.648 -7.548 -0.770) 8.036 4.216 ( -3.071 0.473 -2.362) 3.903 4.452 ( 3.001 -3.107 6.628) 7.912 4.900 ( 0.241 7.070 4.577) 8.425 5.142 ( 0.299 -0.905 6.877) 6.943 5.209 ( -2.263 -1.201 5.019) 5.635 5.446 ( 0.615 -1.108 -1.280) 1.801 6.039 ( -1.297 1.063 -1.089) 1.999 6.180 ( 2.276 4.449 -7.437) 8.960 7.042 ( -9.085 -7.149 19.077) 22.306 7.244 ( -2.653 -8.898 15.531) 18.095 7.681 ( 3.138 -0.035 2.511) 4.020 7.773 ( -7.515 -5.279 9.329) 13.091 8.403 ( 18.032 2.477 -0.741) 18.216 8.577 ( -0.355 -0.575 1.867) 1.985 9.027 ( -16.987 -4.216 2.894) 17.740 9.106 ( -0.602 -8.998 -1.637) 9.165 9.659 ( 4.181 1.590 -9.640) 10.627 9.814 ( -2.149 -3.534 7.787) 8.817 9.902 ( -4.241 2.171 -3.907) 6.161 10.294 ( -15.240 -6.346 5.190) 17.305 12.662 ( 0.281 9.069 -0.815) 9.110 13.243 ( 1.591 -10.170 1.811) 10.452 14.328 ( -4.310 1.372 -1.954) 4.927 14.453 ( 0.630 -2.652 1.155) 2.961 15.339 ( 2.900 13.328 4.190) 14.269 16.027 ( 2.653 -7.110 -2.551) 8.006 17.183 ( -1.253 4.084 0.129) 4.274 17.426 ( 0.741 0.579 -1.485) 1.757 17.485 ( -1.722 4.344 0.821) 4.744 17.966 ( 2.009 -0.486 -15.198) 15.338 ======================= Grid point 64 (32/116) ======================= q-point: ( 0.14 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 11.717 7.266 8.372) 16.130 0.937 ( 12.041 12.619 -0.494) 17.449 1.292 ( 8.738 -0.405 5.220) 10.186 1.460 ( 0.083 16.691 -0.603) 16.702 1.626 ( 4.766 -7.028 -4.598) 9.657 1.652 ( 4.006 8.918 -2.233) 10.029 1.754 ( -2.333 9.302 -4.476) 10.583 2.154 ( -1.777 1.145 -1.447) 2.562 2.237 ( -1.879 -0.048 2.645) 3.244 2.322 ( 2.885 -1.890 -8.055) 8.763 2.442 ( 1.436 -2.167 -1.766) 3.143 2.507 ( 6.209 1.666 -2.186) 6.791 2.666 ( 3.656 -2.454 2.296) 4.966 2.760 ( -3.044 2.452 -3.011) 4.934 3.044 ( 2.750 -0.510 -9.268) 9.681 3.126 ( 4.747 3.238 -8.440) 10.210 3.211 ( -4.425 2.347 -0.460) 5.030 3.287 ( -7.018 -0.147 2.002) 7.300 3.490 ( 1.671 -1.667 -0.283) 2.378 3.634 ( -0.160 5.174 -1.819) 5.487 3.815 ( 2.197 4.020 0.408) 4.599 3.853 ( -5.350 1.702 -1.303) 5.763 4.000 ( -4.106 -8.186 6.013) 10.956 4.087 ( -4.215 0.323 4.280) 6.016 4.183 ( -0.078 -1.652 -1.139) 2.008 4.502 ( -0.085 -4.232 5.500) 6.940 4.950 ( 2.301 4.863 2.708) 6.023 5.137 ( -1.508 -0.186 7.487) 7.640 5.213 ( 0.628 2.188 5.608) 6.052 5.573 ( 10.968 -2.337 -1.518) 11.316 6.026 ( 0.264 2.499 -2.535) 3.569 6.207 ( 3.538 5.899 -7.304) 10.034 6.945 ( -7.742 -6.029 15.768) 18.572 7.181 ( -10.347 -11.180 18.380) 23.872 7.642 ( -8.090 0.422 8.377) 11.653 7.738 ( 0.873 -0.611 4.559) 4.682 8.325 ( -24.634 14.601 15.596) 32.608 8.582 ( 1.498 -0.176 -0.335) 1.545 9.028 ( 20.274 -8.342 -8.006) 23.339 9.106 ( -3.900 -7.191 -8.483) 11.785 9.629 ( -5.179 -3.124 1.115) 6.151 9.773 ( -3.883 -1.694 4.157) 5.936 9.857 ( 4.541 2.094 -11.532) 12.570 10.151 ( -0.414 -2.679 -3.566) 4.479 12.636 ( -2.032 12.440 0.805) 12.631 13.353 ( 6.697 -12.350 3.316) 14.435 14.254 ( -2.888 0.176 -0.453) 2.929 14.446 ( -0.714 -5.283 -2.026) 5.703 15.414 ( 2.412 13.795 5.145) 14.919 16.030 ( -1.534 -1.700 -1.464) 2.718 17.146 ( -2.296 4.157 -1.437) 4.962 17.437 ( 1.009 0.256 -2.169) 2.406 17.462 ( -0.891 3.465 1.151) 3.758 17.866 ( -5.504 -1.852 -9.881) 11.462 ======================= Grid point 65 (33/116) ======================= q-point: ( 0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 9.867 8.816 6.517) 14.750 1.225 ( 14.519 7.458 -0.007) 16.322 1.405 ( -1.219 10.428 -2.865) 10.883 1.449 ( 0.104 2.205 2.302) 3.190 1.684 ( 3.145 2.141 -1.750) 4.188 1.764 ( 9.197 4.830 -3.547) 10.977 1.847 ( 11.462 4.128 -1.239) 12.246 2.088 ( -3.560 0.620 -1.307) 3.843 2.252 ( 3.653 -1.078 -0.446) 3.835 2.336 ( -1.540 0.722 -3.107) 3.542 2.456 ( 4.759 -1.769 -5.295) 7.336 2.679 ( 9.580 -1.424 -1.862) 9.863 2.712 ( -0.668 3.519 -3.302) 4.872 2.736 ( 2.547 -2.230 1.382) 3.657 3.020 ( -2.877 3.503 -6.150) 7.640 3.072 ( -6.429 -0.814 -2.345) 6.891 3.129 ( -5.857 1.721 -4.466) 7.563 3.198 ( 1.857 1.731 -4.165) 4.877 3.519 ( 1.466 -0.720 -2.199) 2.739 3.615 ( -1.819 3.738 -0.626) 4.204 3.724 ( -4.583 -1.572 -3.316) 5.871 3.885 ( 0.427 9.454 6.885) 11.703 3.927 ( -5.171 -8.173 6.010) 11.387 4.034 ( -2.021 -0.383 5.406) 5.784 4.167 ( -1.941 -1.577 1.708) 3.028 4.497 ( -2.193 -3.504 3.284) 5.280 4.990 ( 1.056 1.148 2.447) 2.902 5.130 ( -2.722 -3.169 8.975) 9.900 5.301 ( 5.098 8.306 4.534) 10.749 5.786 ( 9.846 -4.016 0.262) 10.637 6.025 ( 1.404 6.052 -3.594) 7.178 6.257 ( 4.012 2.084 -5.226) 6.910 6.865 ( -7.295 -3.364 18.060) 19.766 7.053 ( -6.677 -8.119 10.119) 14.591 7.526 ( -8.989 4.849 14.295) 17.568 7.753 ( -0.939 -1.358 5.126) 5.385 8.065 ( -5.160 12.153 3.902) 13.768 8.559 ( -4.140 -1.231 1.593) 4.603 8.891 ( -13.068 -4.923 -0.728) 13.984 9.378 ( 15.999 -5.786 -10.445) 19.963 9.573 ( 0.842 -5.277 -8.346) 9.910 9.713 ( -1.608 -5.064 1.145) 5.435 9.945 ( 6.906 2.720 -8.541) 11.315 10.181 ( 4.002 -3.893 -2.790) 6.242 12.606 ( -1.735 13.216 2.419) 13.547 13.479 ( 4.365 -15.788 4.645) 17.027 14.207 ( -2.072 -0.701 0.573) 2.262 14.434 ( 0.507 -7.050 -0.697) 7.103 15.455 ( 0.158 15.318 2.168) 15.471 15.964 ( -4.419 4.466 -1.393) 6.435 17.101 ( -0.786 4.640 -3.005) 5.584 17.443 ( -0.027 4.307 0.040) 4.307 17.461 ( 0.581 -2.721 -0.985) 2.952 17.733 ( -5.018 -4.433 -3.163) 7.405 ======================= Grid point 66 (34/116) ======================= q-point: ( 0.43 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -3.855 8.329 -5.894) 10.908 1.306 ( 4.717 12.451 0.433) 13.322 1.404 ( -4.517 7.320 4.350) 9.639 1.522 ( 10.550 6.015 5.475) 13.321 1.783 ( 6.369 0.453 -2.202) 6.754 1.870 ( 1.124 -4.907 -7.278) 8.849 2.017 ( 0.680 1.733 1.809) 2.596 2.106 ( 10.452 5.093 0.239) 11.630 2.244 ( -5.346 3.222 -1.041) 6.328 2.384 ( 8.459 0.230 -5.660) 10.180 2.535 ( 2.908 -1.800 -1.864) 3.895 2.675 ( -1.795 1.621 -6.574) 7.005 2.765 ( -0.863 0.827 -0.497) 1.295 2.806 ( 1.761 -6.451 -0.614) 6.715 2.909 ( -3.913 3.324 2.537) 5.727 2.973 ( -2.452 4.123 -3.051) 5.685 3.030 ( -0.038 0.822 -6.927) 6.976 3.236 ( 4.399 -0.770 -9.206) 10.233 3.448 ( -6.024 2.515 -4.505) 7.932 3.622 ( -2.184 0.561 -0.502) 2.310 3.643 ( 1.177 1.554 -1.480) 2.448 3.862 ( -3.438 -2.956 4.100) 6.113 3.906 ( -0.105 4.115 8.443) 9.394 4.055 ( -0.141 -1.437 7.631) 7.766 4.134 ( -1.628 -1.922 4.312) 4.994 4.449 ( -3.301 -1.743 1.453) 4.005 5.013 ( -0.005 -0.580 4.048) 4.089 5.100 ( -4.031 -2.151 8.710) 9.836 5.390 ( 1.687 8.522 4.153) 9.629 5.894 ( 1.564 -4.591 -0.524) 4.879 6.088 ( 5.327 4.666 -1.749) 7.294 6.309 ( 2.451 -1.972 -3.051) 4.382 6.823 ( -3.421 -0.015 17.203) 17.540 7.017 ( 0.307 -6.501 0.414) 6.521 7.417 ( -7.604 5.444 16.524) 18.986 7.764 ( -0.819 -3.818 8.352) 9.220 8.088 ( 3.966 4.413 1.396) 6.095 8.437 ( -7.469 -7.427 2.905) 10.926 8.705 ( -5.312 6.276 -0.907) 8.272 9.462 ( -1.188 5.557 -2.715) 6.298 9.629 ( 8.011 -8.314 -19.029) 22.258 9.751 ( 4.361 -11.979 -1.063) 12.792 10.020 ( 2.180 1.636 -0.182) 2.732 10.283 ( 7.925 -4.707 -3.079) 9.718 12.584 ( -1.636 12.414 3.027) 12.882 13.551 ( 0.900 -19.790 5.559) 20.575 14.187 ( -0.149 0.318 1.837) 1.871 14.463 ( 1.807 -7.667 2.787) 8.356 15.437 ( -1.870 16.591 -2.090) 16.827 15.866 ( -4.129 7.737 -3.271) 9.360 17.110 ( 2.680 5.034 -1.902) 6.012 17.435 ( -1.132 4.917 1.858) 5.377 17.472 ( 1.781 -4.568 -3.833) 6.224 17.650 ( -3.232 -5.947 0.233) 6.773 ======================= Grid point 67 (35/116) ======================= q-point: (-0.43 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -8.902 13.345 -9.164) 18.475 1.287 ( -6.914 10.496 3.530) 13.055 1.446 ( 3.572 7.516 4.006) 9.236 1.724 ( 5.886 4.316 -0.865) 7.350 1.781 ( -3.903 -4.286 -0.125) 5.798 1.878 ( 3.637 1.763 -2.914) 4.982 2.005 ( -2.128 2.133 1.314) 3.287 2.082 ( -11.094 6.319 2.045) 12.930 2.300 ( 6.624 0.572 -0.785) 6.695 2.434 ( -0.797 -0.089 -6.388) 6.438 2.529 ( -6.018 -0.125 1.129) 6.124 2.603 ( -2.427 -0.120 -8.203) 8.556 2.692 ( 1.012 -1.348 -1.861) 2.511 2.781 ( -2.702 -0.040 -0.849) 2.833 2.926 ( -1.513 7.046 -2.232) 7.544 2.953 ( 5.359 0.897 -2.381) 5.932 3.118 ( 8.809 -2.052 -3.413) 9.667 3.289 ( 5.223 -1.645 -9.404) 10.882 3.335 ( -3.652 -2.611 -4.136) 6.104 3.541 ( -2.258 3.870 -2.686) 5.224 3.702 ( 2.304 1.978 0.296) 3.051 3.834 ( -0.558 0.677 2.635) 2.778 3.951 ( 0.669 -0.394 7.457) 7.497 4.061 ( -0.826 -0.209 8.974) 9.014 4.160 ( 1.526 -2.118 4.318) 5.045 4.400 ( -1.699 -0.737 -0.316) 1.878 5.019 ( -1.454 -0.653 4.687) 4.950 5.044 ( -4.520 -0.880 7.615) 8.899 5.396 ( -2.680 6.693 5.320) 8.960 5.882 ( -2.903 -5.375 -0.461) 6.126 6.139 ( 0.014 3.274 0.134) 3.277 6.304 ( -1.876 -2.229 -3.374) 4.458 6.884 ( 3.411 -1.137 13.608) 14.075 7.057 ( 3.059 -6.504 1.655) 7.376 7.389 ( -1.218 4.791 15.218) 16.001 7.757 ( -4.953 -5.756 15.130) 16.929 8.145 ( 0.580 0.131 0.908) 1.085 8.395 ( 2.551 -6.594 1.104) 7.156 8.664 ( 1.874 10.538 -2.222) 10.931 9.448 ( 2.387 6.365 -6.399) 9.335 9.687 ( 5.784 -5.979 -17.395) 19.282 9.789 ( -0.806 -16.201 -2.397) 16.397 10.040 ( -0.551 4.015 5.152) 6.555 10.446 ( 8.128 -7.341 3.190) 11.407 12.566 ( -1.225 11.597 2.468) 11.920 13.553 ( -2.913 -24.058 5.034) 24.751 14.223 ( 2.587 2.441 4.491) 5.729 14.508 ( 0.942 -6.532 3.808) 7.620 15.373 ( -3.181 16.561 -4.321) 17.409 15.810 ( 0.671 7.487 -5.265) 9.177 17.169 ( 3.046 5.299 -0.636) 6.146 17.420 ( -1.198 4.415 2.894) 5.414 17.519 ( 5.824 -4.001 -6.652) 9.704 17.598 ( -2.677 -4.702 1.611) 5.646 ======================= Grid point 68 (36/116) ======================= q-point: (-0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -7.042 15.960 -6.586) 18.646 1.131 ( -11.407 10.997 4.393) 16.442 1.441 ( -6.965 0.513 2.609) 7.455 1.591 ( -6.792 -5.383 -9.483) 12.846 1.759 ( -9.540 16.027 3.535) 18.983 1.921 ( -3.020 2.750 2.538) 4.808 1.935 ( 3.182 5.389 -1.136) 6.360 2.048 ( 6.132 4.908 4.207) 8.910 2.221 ( -11.724 3.843 1.691) 12.453 2.355 ( -2.469 -3.223 -6.285) 7.483 2.506 ( -2.370 -1.581 -4.959) 5.719 2.556 ( 2.780 -6.690 0.112) 7.245 2.680 ( -3.102 2.945 -4.095) 5.921 2.743 ( 1.675 1.809 -2.281) 3.359 2.916 ( 1.425 2.887 -6.040) 6.845 3.063 ( 6.536 0.860 -4.757) 8.129 3.197 ( 0.567 -4.038 -1.120) 4.229 3.254 ( -3.041 -3.048 -3.407) 5.491 3.406 ( 7.787 3.520 -7.214) 11.183 3.582 ( 8.960 0.621 -3.136) 9.513 3.714 ( -1.319 1.433 2.522) 3.187 3.859 ( 1.482 5.982 1.367) 6.312 3.962 ( -1.556 -5.264 6.719) 8.677 4.132 ( 3.848 0.403 7.057) 8.048 4.203 ( 1.753 -1.427 1.819) 2.901 4.378 ( -0.641 -1.662 -1.102) 2.095 4.974 ( -3.550 0.168 3.293) 4.845 5.023 ( -1.210 0.122 7.141) 7.244 5.341 ( -5.291 3.475 7.702) 9.969 5.753 ( -10.051 -3.020 0.598) 10.512 6.129 ( -0.825 2.178 1.398) 2.717 6.227 ( -3.395 -1.538 -6.052) 7.108 7.030 ( 5.227 -4.084 13.802) 15.313 7.123 ( 0.518 -6.938 11.088) 13.090 7.485 ( 5.237 3.138 9.484) 11.279 7.721 ( -3.444 -3.971 15.934) 16.779 8.134 ( -1.860 2.719 2.705) 4.263 8.472 ( 4.365 -4.536 -1.817) 6.552 8.762 ( 8.878 5.208 -4.201) 11.117 9.498 ( 5.743 7.487 -12.840) 15.934 9.676 ( -5.722 -22.358 -1.988) 23.164 9.754 ( 3.370 -3.305 -10.958) 11.931 10.039 ( -2.501 5.978 7.466) 9.886 10.585 ( 1.853 -11.984 12.554) 17.454 12.566 ( 0.857 10.892 0.986) 10.970 13.473 ( -7.098 -24.923 3.037) 26.091 14.311 ( 3.884 2.901 6.312) 7.959 14.507 ( -2.351 -3.320 1.166) 4.232 15.303 ( -1.922 15.442 -3.163) 15.879 15.853 ( 5.418 2.531 -5.260) 7.964 17.201 ( 0.623 4.665 -0.778) 4.770 17.414 ( -0.411 3.661 2.062) 4.222 17.551 ( -2.108 -3.595 0.527) 4.201 17.669 ( 11.558 1.201 -6.860) 13.495 ======================= Grid point 69 (37/116) ======================= q-point: (-0.14 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -1.772 15.910 0.059) 16.009 0.880 ( -14.729 11.270 3.921) 18.956 1.238 ( -10.800 -2.465 3.120) 11.509 1.482 ( -1.420 -2.128 -11.252) 11.540 1.609 ( -5.702 17.531 4.268) 18.923 1.847 ( -7.999 11.198 2.891) 14.062 1.956 ( -1.597 5.721 -2.426) 6.416 2.069 ( -0.994 0.975 -2.031) 2.463 2.193 ( 5.188 1.580 1.358) 5.591 2.315 ( 1.564 -3.125 -1.433) 3.777 2.436 ( -1.844 0.976 -2.904) 3.576 2.532 ( -5.751 -0.782 0.193) 5.807 2.616 ( -0.605 -3.873 -4.255) 5.785 2.828 ( 5.269 1.271 -0.936) 5.501 2.919 ( 2.844 -1.121 -8.759) 9.277 3.108 ( -1.800 2.338 -7.859) 8.394 3.199 ( 5.617 -8.240 -3.236) 10.485 3.244 ( 1.121 2.708 0.288) 2.945 3.485 ( 2.820 5.906 -4.404) 7.889 3.688 ( -1.571 3.732 1.882) 4.465 3.792 ( 10.105 0.097 -2.561) 10.425 3.855 ( -2.205 6.209 2.830) 7.171 3.982 ( 1.052 -8.077 5.234) 9.683 4.183 ( -0.952 -2.144 1.879) 3.005 4.260 ( 2.316 -0.336 -3.262) 4.014 4.369 ( 0.656 -3.317 4.962) 6.005 4.919 ( -3.429 3.788 4.172) 6.597 5.062 ( 3.019 0.440 5.044) 5.895 5.267 ( -5.316 -0.849 8.030) 9.667 5.551 ( -9.712 -1.318 0.991) 9.851 6.092 ( -3.612 1.540 0.584) 3.970 6.174 ( 1.106 0.675 -7.559) 7.669 7.119 ( -5.921 -8.419 21.958) 24.251 7.181 ( 2.754 -5.666 11.861) 13.430 7.602 ( 4.257 0.922 1.387) 4.571 7.789 ( 1.408 -6.671 17.622) 18.894 8.142 ( 4.993 8.766 0.593) 10.105 8.539 ( 3.307 -2.504 -1.888) 4.557 8.936 ( 10.917 -1.459 -9.258) 14.388 9.433 ( -13.807 -14.907 1.020) 20.344 9.607 ( 4.196 -0.676 -10.053) 10.915 9.792 ( 2.593 -3.632 -2.799) 5.268 9.991 ( -4.755 5.348 4.584) 8.498 10.556 ( -11.851 -14.476 16.003) 24.619 12.615 ( 3.747 9.173 -0.366) 9.916 13.318 ( -8.375 -17.884 0.831) 19.765 14.403 ( 2.735 0.474 4.939) 5.666 14.431 ( -4.692 0.649 -1.600) 5.000 15.289 ( 1.019 13.964 0.481) 14.010 15.952 ( 5.983 -4.995 -3.909) 8.720 17.199 ( -0.421 4.392 -0.285) 4.421 17.419 ( 0.364 2.620 0.047) 2.646 17.516 ( -1.860 0.687 1.193) 2.315 17.876 ( 11.910 1.730 -11.998) 16.994 ======================= Grid point 70 (38/116) ======================= q-point: ( 0.00 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -2.044 9.148 5.394) 10.814 1.001 ( -1.624 -1.304 -0.233) 2.096 1.149 ( 5.707 8.697 0.045) 10.402 1.361 ( 5.142 -10.220 -7.563) 13.714 1.772 ( -3.763 8.197 2.337) 9.317 1.862 ( -4.349 3.861 -0.779) 5.868 1.976 ( -3.756 7.325 -7.764) 11.316 2.165 ( -2.005 -8.767 -7.891) 11.964 2.243 ( 1.580 2.989 -1.784) 3.823 2.317 ( -3.910 -4.087 1.185) 5.779 2.359 ( 5.506 9.908 0.595) 11.351 2.510 ( 1.607 -2.937 1.570) 3.698 2.638 ( 1.697 6.844 -3.953) 8.084 2.794 ( -1.335 -6.422 -2.169) 6.909 2.997 ( 5.194 0.553 -7.933) 9.498 3.035 ( 4.819 -3.265 -5.266) 7.849 3.274 ( 3.727 1.611 -4.471) 6.040 3.297 ( 1.434 0.208 -2.560) 2.941 3.600 ( -3.947 8.215 4.954) 10.373 3.766 ( -3.626 -7.785 5.471) 10.182 3.794 ( -1.827 7.624 -2.144) 8.128 3.937 ( 2.762 1.332 -1.616) 3.466 3.964 ( -8.802 -6.254 -2.642) 11.117 3.987 ( 6.652 -3.051 0.677) 7.350 4.254 ( -0.903 4.316 3.262) 5.485 4.361 ( 1.598 -5.962 5.857) 8.509 5.030 ( 0.810 5.679 2.906) 6.431 5.110 ( 0.469 -2.938 4.344) 5.265 5.241 ( -1.248 5.267 6.033) 8.106 5.369 ( -0.489 -6.560 3.547) 7.473 6.098 ( 0.645 5.051 -4.396) 6.727 6.190 ( 3.035 -3.200 -7.623) 8.807 6.978 ( -8.625 0.818 22.012) 23.656 7.069 ( -7.182 -8.096 22.376) 24.856 7.681 ( 1.302 0.289 3.874) 4.098 7.702 ( -1.528 -2.124 6.106) 6.643 8.478 ( 10.339 4.342 -3.372) 11.710 8.548 ( 4.421 -2.702 -1.678) 5.446 8.979 ( -8.542 -0.274 0.567) 8.565 9.008 ( 3.189 -2.968 -8.811) 9.830 9.677 ( -1.398 1.233 -2.090) 2.800 9.726 ( -2.342 -4.046 2.999) 5.554 10.013 ( -5.593 7.557 -0.913) 9.446 10.160 ( -8.730 -7.602 1.992) 11.746 12.840 ( 1.988 9.916 0.204) 10.115 13.039 ( 2.453 -10.862 0.717) 11.159 14.370 ( -3.769 2.559 -1.543) 4.810 14.414 ( -1.910 -2.006 -0.313) 2.787 15.607 ( 3.491 14.032 0.878) 14.486 15.851 ( 3.583 -11.297 -1.120) 11.904 17.264 ( -1.361 4.487 0.765) 4.750 17.354 ( -0.880 -4.873 0.354) 4.964 17.667 ( -0.071 11.093 -3.113) 11.522 17.864 ( 0.310 -8.836 -7.583) 11.647 ======================= Grid point 71 (39/116) ======================= q-point: ( 0.14 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 10.193 7.246 5.020) 13.476 1.083 ( 9.264 -0.437 0.661) 9.298 1.306 ( 9.183 6.073 2.229) 11.233 1.467 ( 7.544 -8.880 -3.353) 12.125 1.729 ( -0.574 10.908 -5.950) 12.439 1.860 ( 3.832 4.343 -5.989) 8.331 1.878 ( -2.314 6.345 -4.268) 7.989 2.068 ( -3.201 -8.252 -5.489) 10.415 2.234 ( -3.395 1.201 1.281) 3.822 2.288 ( 2.579 -3.384 -1.348) 4.463 2.461 ( 2.627 6.094 1.404) 6.783 2.545 ( 2.826 -0.632 1.095) 3.096 2.678 ( 3.403 3.983 -2.250) 5.701 2.773 ( 0.007 -2.907 -2.316) 3.717 3.038 ( 2.601 1.025 -9.241) 9.655 3.098 ( 3.151 -4.363 -7.290) 9.061 3.271 ( -3.714 2.335 -2.579) 5.089 3.290 ( -1.747 0.191 -1.361) 2.223 3.561 ( -1.077 8.703 1.789) 8.950 3.704 ( -1.871 2.103 -1.378) 3.134 3.750 ( -3.477 -7.061 -0.754) 7.907 3.801 ( -5.620 -6.935 3.287) 9.512 3.995 ( 2.432 5.635 0.649) 6.172 4.088 ( 2.924 -3.229 1.231) 4.527 4.219 ( -4.153 7.572 4.625) 9.796 4.383 ( -1.336 -8.083 5.824) 10.052 5.030 ( -1.481 3.688 3.752) 5.466 5.096 ( -2.765 -3.230 5.494) 6.947 5.325 ( 6.591 8.115 4.872) 11.533 5.479 ( 8.784 -7.248 2.254) 11.609 6.113 ( 2.136 6.378 -3.605) 7.631 6.224 ( 3.049 -3.717 -6.854) 8.372 6.894 ( -7.500 1.082 17.891) 19.430 6.986 ( -8.926 -8.256 19.496) 22.977 7.672 ( -3.195 2.299 6.103) 7.263 7.715 ( -0.500 -1.909 5.111) 5.479 8.527 ( -12.004 6.351 8.775) 16.169 8.584 ( -0.552 -0.399 2.168) 2.273 8.930 ( 7.991 -0.623 -10.134) 12.920 8.991 ( 0.442 -5.374 -9.791) 11.178 9.604 ( -4.779 1.012 3.272) 5.880 9.670 ( -3.949 -5.515 4.647) 8.223 9.962 ( 2.533 6.222 -9.692) 11.793 10.073 ( 0.384 -5.230 -6.348) 8.234 12.870 ( 0.614 12.412 1.765) 12.552 13.111 ( 3.488 -12.860 2.696) 13.595 14.291 ( -3.426 3.181 -1.675) 4.966 14.361 ( -2.614 -3.996 -2.122) 5.225 15.686 ( 3.510 13.852 2.156) 14.452 15.914 ( 2.658 -9.641 0.171) 10.002 17.235 ( -1.598 5.213 -0.804) 5.512 17.341 ( -0.396 -5.771 -0.978) 5.867 17.625 ( -2.692 9.028 -2.007) 9.632 17.780 ( -5.359 -6.791 -5.624) 10.318 ======================= Grid point 72 (40/116) ======================= q-point: ( 0.29 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 10.915 6.421 4.172) 13.333 1.309 ( 12.139 -1.335 1.005) 12.253 1.481 ( 7.157 5.731 2.478) 9.498 1.596 ( 5.273 -2.875 0.450) 6.022 1.658 ( -2.098 8.289 -12.019) 14.751 1.841 ( -2.398 -6.897 -11.838) 13.909 1.927 ( 7.133 9.458 0.591) 11.861 2.118 ( 9.482 -6.002 -1.621) 11.338 2.192 ( -0.925 5.729 1.890) 6.103 2.346 ( 3.545 -7.432 -1.285) 8.334 2.464 ( -1.194 9.189 1.822) 9.444 2.618 ( 2.193 -6.339 1.698) 6.919 2.750 ( 4.256 2.859 -1.053) 5.234 2.778 ( 2.062 2.047 -4.647) 5.480 3.011 ( -2.102 0.198 -8.954) 9.200 3.079 ( -3.033 -4.205 -8.337) 9.818 3.173 ( -2.223 4.466 -4.797) 6.921 3.226 ( -3.019 0.142 -1.656) 3.447 3.560 ( 0.137 5.592 0.602) 5.626 3.654 ( -3.480 -0.602 0.491) 3.566 3.690 ( -0.446 -0.798 -3.293) 3.417 3.751 ( -3.661 -8.697 4.785) 10.580 4.035 ( 0.794 4.464 3.588) 5.782 4.113 ( -0.885 -2.749 3.202) 4.312 4.147 ( -4.397 11.365 4.783) 13.091 4.370 ( -1.598 -9.788 3.281) 10.446 5.018 ( -1.428 1.927 4.870) 5.428 5.066 ( -2.665 -3.165 7.146) 8.258 5.484 ( 6.693 10.195 4.597) 13.034 5.666 ( 8.108 -8.426 3.214) 12.127 6.139 ( 1.912 6.317 -3.030) 7.262 6.245 ( 1.316 -3.746 -3.875) 5.548 6.842 ( -4.037 1.266 13.414) 14.065 6.913 ( -4.171 -5.944 10.761) 12.981 7.620 ( -5.631 5.025 10.518) 12.945 7.706 ( -2.913 -3.656 7.809) 9.101 8.284 ( -11.951 10.541 6.136) 17.076 8.466 ( -11.897 -8.285 5.601) 15.543 8.925 ( 0.732 8.679 -5.735) 10.428 9.161 ( 12.349 -14.340 -10.058) 21.432 9.561 ( 0.126 2.916 -3.791) 4.784 9.633 ( 0.499 -4.090 -4.090) 5.806 10.010 ( 4.966 4.102 -6.673) 9.274 10.096 ( 3.733 -4.790 -4.272) 7.424 12.875 ( -0.958 14.981 2.462) 15.212 13.172 ( 1.246 -16.112 3.463) 16.527 14.236 ( -1.711 3.245 0.231) 3.676 14.318 ( -0.832 -5.221 -0.450) 5.306 15.739 ( 1.140 13.557 0.272) 13.608 15.938 ( -0.287 -6.622 -1.054) 6.712 17.206 ( -0.342 6.247 -2.384) 6.695 17.333 ( 0.466 -6.955 -2.585) 7.435 17.568 ( -2.758 5.338 0.560) 6.034 17.654 ( -5.530 -4.042 -1.337) 6.979 ======================= Grid point 73 (41/116) ======================= q-point: ( 0.43 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 2.734 8.250 -2.169) 8.958 1.480 ( 3.001 -0.437 3.083) 4.325 1.539 ( -0.731 11.242 -5.558) 12.562 1.633 ( 7.927 5.306 -0.066) 9.539 1.724 ( 2.544 -5.489 -2.867) 6.695 1.734 ( -0.380 -8.043 -6.049) 10.071 2.070 ( 4.440 5.890 2.636) 7.833 2.195 ( 1.834 -1.714 2.973) 3.891 2.324 ( 6.022 1.106 -3.820) 7.216 2.378 ( 3.333 0.425 -3.236) 4.664 2.488 ( 2.287 3.436 0.231) 4.134 2.632 ( -0.575 -8.279 0.995) 8.359 2.751 ( -2.386 5.071 -5.143) 7.607 2.832 ( 2.617 -0.693 -4.093) 4.907 2.914 ( -3.764 0.900 -2.624) 4.676 2.972 ( -2.142 -1.494 -5.405) 6.003 3.143 ( 0.102 5.094 -4.407) 6.737 3.202 ( 2.536 -2.200 -8.179) 8.841 3.517 ( -6.162 6.125 1.022) 8.748 3.627 ( -0.933 -0.700 -0.330) 1.212 3.665 ( 1.076 0.021 -3.773) 3.924 3.711 ( -0.833 -8.497 1.681) 8.702 4.050 ( -1.070 1.368 7.867) 8.056 4.074 ( -3.316 1.567 5.192) 6.357 4.133 ( 0.012 9.340 4.412) 10.329 4.347 ( -1.646 -9.062 0.810) 9.246 5.013 ( -1.340 0.808 6.057) 6.255 5.048 ( -2.434 -2.752 7.504) 8.355 5.579 ( 0.874 10.630 4.694) 11.653 5.767 ( 0.551 -8.623 3.981) 9.514 6.176 ( 3.157 4.484 -2.793) 6.154 6.255 ( 0.905 -3.644 -1.558) 4.065 6.838 ( -1.137 1.974 9.858) 10.117 6.904 ( 0.079 -4.937 3.835) 6.252 7.541 ( -7.045 7.194 15.816) 18.749 7.672 ( -4.572 -6.067 12.813) 14.896 8.173 ( -1.788 4.956 1.760) 5.555 8.288 ( -5.932 -7.227 2.519) 9.683 8.925 ( 0.317 15.958 -2.214) 16.114 9.282 ( 3.142 -20.586 -4.054) 21.216 9.575 ( 3.804 4.949 -10.151) 11.916 9.654 ( 3.881 -3.329 -10.642) 11.806 10.081 ( 3.807 4.388 -0.795) 5.864 10.180 ( 5.990 -5.712 -1.662) 8.442 12.855 ( -1.977 15.820 2.107) 16.082 13.181 ( -1.429 -18.499 2.842) 18.771 14.235 ( 0.986 4.097 3.216) 5.301 14.332 ( 1.636 -6.042 3.149) 7.007 15.727 ( -1.607 13.018 -3.171) 13.495 15.898 ( -2.427 -4.145 -3.917) 6.197 17.218 ( 2.609 6.252 -2.017) 7.069 17.347 ( 2.338 -7.079 -3.510) 8.241 17.523 ( -2.476 3.039 1.805) 4.316 17.569 ( -3.257 -2.655 1.797) 4.570 ======================= Grid point 74 (42/116) ======================= q-point: (-0.43 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -6.128 13.383 -9.005) 17.256 1.451 ( -4.385 3.563 -2.325) 6.110 1.550 ( -2.339 2.439 4.222) 5.408 1.594 ( -7.229 -8.225 -5.036) 12.052 1.812 ( 9.410 2.106 0.245) 9.646 1.861 ( 7.335 -3.059 -1.286) 8.051 2.081 ( -3.133 8.568 4.438) 10.145 2.230 ( -2.462 -0.589 1.699) 3.049 2.337 ( 2.592 3.764 -1.113) 4.703 2.408 ( -2.187 -2.091 -5.862) 6.597 2.472 ( -4.525 -1.657 -0.354) 4.832 2.534 ( -8.795 -4.828 -0.421) 10.042 2.750 ( 5.386 5.962 -7.796) 11.195 2.848 ( -0.983 4.411 0.349) 4.533 2.883 ( 2.939 -4.238 -6.935) 8.643 2.970 ( 0.930 -3.564 0.530) 3.721 3.171 ( 4.034 3.777 -4.573) 7.173 3.233 ( 3.669 -3.227 -7.676) 9.100 3.402 ( -3.064 9.898 -0.794) 10.391 3.574 ( -1.794 -3.130 -2.014) 4.132 3.702 ( 1.652 -1.070 -1.329) 2.375 3.732 ( 2.369 -5.949 -0.314) 6.411 4.067 ( 0.366 1.364 8.106) 8.228 4.079 ( 1.554 4.300 3.796) 5.942 4.141 ( -1.230 5.071 4.908) 7.164 4.317 ( -1.416 -7.849 -0.570) 7.996 5.007 ( -1.916 -0.204 6.769) 7.038 5.019 ( -3.568 -1.322 7.164) 8.111 5.561 ( -4.180 9.920 5.256) 11.979 5.745 ( -3.929 -8.774 3.932) 10.387 6.203 ( 0.046 2.929 -2.929) 4.143 6.253 ( -0.630 -2.680 -3.414) 4.385 6.883 ( 2.013 1.445 10.257) 10.552 6.945 ( 2.316 -4.894 4.976) 7.354 7.504 ( -2.543 6.921 15.174) 16.871 7.637 ( -4.228 -6.789 15.121) 17.106 8.179 ( 1.288 3.590 0.881) 3.914 8.274 ( 2.486 -5.975 1.652) 6.679 8.924 ( 0.560 16.888 -1.496) 16.963 9.295 ( -0.044 -21.073 -1.766) 21.147 9.600 ( 3.443 4.591 -13.850) 14.992 9.679 ( 3.697 -3.356 -13.918) 14.787 10.149 ( 2.132 7.052 5.097) 8.958 10.297 ( 4.911 -8.135 4.297) 10.429 12.821 ( -1.964 15.153 1.027) 15.314 13.144 ( -3.102 -19.041 1.553) 19.355 14.294 ( 2.949 4.600 5.582) 7.811 14.392 ( 2.387 -5.671 5.029) 7.947 15.662 ( -3.063 12.978 -5.466) 14.412 15.835 ( -1.671 -4.474 -6.105) 7.751 17.272 ( 2.655 5.794 -0.974) 6.447 17.397 ( 3.274 -7.229 -3.069) 8.508 17.498 ( 0.371 3.382 1.486) 3.713 17.548 ( 0.652 -1.925 2.104) 2.925 ======================= Grid point 75 (43/116) ======================= q-point: (-0.29 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -6.126 14.825 -6.874) 17.452 1.309 ( -10.243 6.514 -0.536) 12.151 1.398 ( -12.694 -7.452 3.291) 15.083 1.439 ( -6.308 -6.455 -7.173) 11.529 1.971 ( 6.150 3.022 0.906) 6.912 1.995 ( 1.301 4.486 0.564) 4.704 2.027 ( 1.108 7.303 -0.093) 7.387 2.161 ( -2.504 2.102 -1.781) 3.723 2.280 ( -10.722 0.033 2.810) 11.084 2.308 ( -3.277 -0.433 -4.727) 5.768 2.411 ( 1.129 -3.319 1.948) 4.010 2.452 ( -1.303 -4.504 -0.454) 4.711 2.762 ( -2.441 6.156 -6.826) 9.511 2.835 ( 1.087 6.004 0.937) 6.173 2.892 ( 0.997 -4.383 -10.885) 11.776 2.987 ( 0.536 -7.514 -1.072) 7.609 3.204 ( 1.173 3.799 -3.688) 5.422 3.254 ( 1.334 -0.475 -3.190) 3.491 3.490 ( 10.615 6.801 -2.893) 12.935 3.602 ( 6.515 -1.139 -3.274) 7.380 3.713 ( -0.174 -0.042 1.795) 1.803 3.780 ( 1.929 -6.983 1.555) 7.409 4.082 ( -2.968 10.288 0.421) 10.716 4.136 ( 2.544 1.382 6.831) 7.419 4.165 ( 2.696 -2.368 3.609) 5.089 4.280 ( -2.150 -8.290 -1.783) 8.747 4.980 ( -2.210 0.753 5.477) 5.953 5.004 ( -0.792 -1.587 7.053) 7.272 5.468 ( -7.823 8.956 6.599) 13.600 5.640 ( -8.720 -8.262 4.616) 12.869 6.176 ( -0.951 1.969 -3.460) 4.093 6.201 ( -1.974 -1.065 -6.957) 7.310 6.980 ( 1.888 -0.567 15.394) 15.520 7.016 ( 1.003 -4.103 12.268) 12.975 7.556 ( 2.200 4.147 9.567) 10.656 7.639 ( -1.012 -4.469 12.380) 13.201 8.222 ( 2.756 6.266 1.254) 6.959 8.355 ( 5.034 -7.144 0.183) 8.741 8.935 ( 1.222 12.974 -1.903) 13.170 9.253 ( -4.175 -20.191 -1.264) 20.657 9.620 ( 5.049 5.254 -15.547) 17.170 9.700 ( 4.387 -3.334 -14.725) 15.722 10.185 ( -2.119 9.120 10.298) 13.918 10.374 ( -0.864 -10.536 11.285) 15.464 12.795 ( -0.607 13.361 -0.366) 13.380 13.082 ( -3.398 -17.196 0.091) 17.529 14.374 ( 2.643 3.590 5.509) 7.087 14.442 ( 0.601 -3.546 3.819) 5.246 15.587 ( -1.946 13.679 -5.159) 14.748 15.796 ( 0.249 -7.633 -6.072) 9.757 17.294 ( -0.061 5.416 0.204) 5.421 17.401 ( -1.280 -5.166 -0.049) 5.322 17.560 ( 4.268 4.658 0.301) 6.325 17.646 ( 9.076 -3.406 -2.260) 9.954 ======================= Grid point 76 (44/116) ======================= q-point: (-0.14 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -9.710 10.472 3.627) 14.734 1.106 ( -5.323 11.591 -6.462) 14.298 1.158 ( -11.089 -4.747 4.726) 12.955 1.343 ( 0.035 -10.699 -10.023) 14.660 1.872 ( -7.649 10.055 3.250) 13.045 2.015 ( -10.295 -2.592 2.763) 10.970 2.041 ( 0.495 7.282 -5.017) 8.857 2.153 ( 6.223 2.022 -4.389) 7.879 2.227 ( 0.428 3.007 -2.796) 4.129 2.264 ( 2.529 1.374 -0.752) 2.974 2.391 ( -3.166 -2.796 2.070) 4.704 2.468 ( 1.830 -5.471 1.008) 5.856 2.668 ( -2.913 8.175 -6.534) 10.864 2.835 ( -1.540 -5.321 -2.654) 6.142 2.909 ( 5.326 2.272 -6.175) 8.465 2.992 ( 1.746 -7.092 -4.255) 8.453 3.221 ( 2.895 4.500 -4.925) 7.272 3.274 ( 1.602 -0.457 -2.133) 2.706 3.631 ( 1.853 8.954 -0.436) 9.154 3.738 ( 3.854 2.356 1.599) 4.791 3.783 ( 8.876 -1.736 0.164) 9.045 3.810 ( 1.615 -8.830 3.591) 9.668 3.997 ( -4.652 7.445 -2.372) 9.094 4.127 ( -5.983 -5.008 -0.445) 7.815 4.232 ( 1.964 -0.169 1.482) 2.466 4.282 ( 3.270 -4.567 5.146) 7.618 4.988 ( 1.220 3.376 3.370) 4.924 5.046 ( 2.608 -2.353 5.056) 6.157 5.326 ( -8.735 6.755 7.267) 13.219 5.469 ( -9.772 -6.862 5.444) 13.123 6.127 ( -1.637 2.554 -5.065) 5.904 6.173 ( 1.663 -1.476 -7.473) 7.797 7.028 ( -4.826 -0.931 21.889) 22.434 7.073 ( -1.738 -4.891 18.946) 19.644 7.628 ( 2.362 1.988 3.847) 4.933 7.685 ( 0.441 -4.144 9.545) 10.415 8.310 ( 6.970 8.658 -1.611) 11.231 8.457 ( 5.716 -6.301 -2.559) 8.884 8.963 ( 3.008 5.068 -3.959) 7.100 9.134 ( -7.187 -12.863 -0.499) 14.743 9.667 ( 4.872 3.442 -13.147) 14.437 9.728 ( 2.792 -3.167 -8.592) 9.573 10.133 ( -7.224 9.195 10.044) 15.414 10.326 ( -9.038 -10.846 12.535) 18.880 12.802 ( 1.632 10.804 -0.876) 10.962 13.030 ( -1.418 -13.235 -0.598) 13.325 14.422 ( 0.164 1.112 2.754) 2.974 14.436 ( -1.974 -0.260 1.060) 2.256 15.563 ( 1.061 14.076 -2.390) 14.316 15.801 ( 2.311 -10.584 -3.887) 11.509 17.283 ( -1.065 4.656 1.014) 4.883 17.374 ( -1.434 -4.652 0.656) 4.912 17.641 ( 3.683 9.358 -1.782) 10.213 17.808 ( 7.823 -7.307 -5.658) 12.108 ======================= Grid point 98 (45/116) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -12.770 0.000 13.945) 18.909 0.734 ( -2.277 0.000 14.475) 14.653 1.071 ( 7.056 0.000 17.494) 18.863 1.428 ( -0.653 0.000 4.648) 4.694 1.498 ( 1.522 0.000 1.447) 2.100 1.669 ( 0.454 0.000 -4.263) 4.287 1.750 ( -2.121 0.000 -3.033) 3.701 1.836 ( 5.584 0.000 -3.862) 6.789 2.212 ( 1.956 0.000 -2.724) 3.354 2.236 ( -5.084 0.000 -4.068) 6.511 2.302 ( 4.843 0.000 -5.950) 7.672 2.514 ( -3.704 0.000 -17.274) 17.667 2.543 ( 4.344 0.000 -0.978) 4.453 2.837 ( 4.413 0.000 -8.268) 9.373 2.919 ( -1.218 0.000 -4.638) 4.795 2.956 ( 4.109 0.000 1.222) 4.287 2.967 ( 5.523 0.000 -0.532) 5.549 3.383 ( 2.310 0.000 -12.867) 13.073 3.388 ( -1.834 0.000 0.708) 1.966 3.520 ( -1.263 0.000 6.316) 6.441 3.827 ( -1.490 0.000 3.109) 3.448 3.847 ( -7.804 0.000 4.886) 9.207 4.038 ( 1.330 0.000 -4.013) 4.228 4.240 ( 4.337 0.000 -0.264) 4.345 4.394 ( -1.351 0.000 7.619) 7.738 4.570 ( 1.136 0.000 4.862) 4.993 5.048 ( -2.717 0.000 11.954) 12.259 5.233 ( 8.873 0.000 0.820) 8.911 5.334 ( -5.710 0.000 3.897) 6.913 5.477 ( -10.748 0.000 9.953) 14.649 5.980 ( 1.444 0.000 -4.233) 4.472 6.059 ( -4.814 0.000 4.971) 6.920 7.544 ( 2.982 0.000 8.721) 9.217 7.719 ( 5.412 0.000 1.510) 5.618 7.722 ( -9.412 0.000 -4.514) 10.439 7.785 ( -17.839 0.000 23.540) 29.536 8.569 ( 14.858 0.000 2.887) 15.136 8.603 ( -1.069 0.000 -2.956) 3.144 8.927 ( 16.815 0.000 -9.601) 19.363 9.003 ( 8.309 0.000 -21.334) 22.895 9.876 ( -7.732 0.000 3.046) 8.310 9.946 ( 2.148 0.000 -0.070) 2.149 10.203 ( 2.462 0.000 7.173) 7.584 10.571 ( -62.454 0.000 -3.281) 62.540 12.387 ( -3.202 0.000 9.909) 10.413 13.510 ( 4.280 0.000 -1.238) 4.455 14.336 ( -2.793 0.000 -0.971) 2.957 14.589 ( -3.037 0.000 -7.280) 7.888 15.456 ( 8.961 0.000 5.836) 10.694 15.913 ( -12.757 0.000 -5.734) 13.986 17.053 ( -1.287 0.000 1.591) 2.046 17.239 ( 19.239 0.000 -2.486) 19.399 17.366 ( -4.179 0.000 2.130) 4.691 17.554 ( 0.224 0.000 -2.134) 2.146 ======================= Grid point 99 (46/116) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 12.924 0.000 6.980) 14.688 0.829 ( 4.954 0.000 16.617) 17.340 1.271 ( 5.976 0.000 11.837) 13.260 1.495 ( 4.927 0.000 -2.996) 5.766 1.557 ( 3.243 0.000 7.223) 7.918 1.562 ( -6.299 0.000 4.841) 7.945 1.758 ( 4.077 0.000 -3.779) 5.559 1.989 ( 8.146 0.000 -7.397) 11.003 2.097 ( -7.120 0.000 -4.238) 8.286 2.251 ( 4.265 0.000 -3.673) 5.628 2.369 ( -4.474 0.000 -12.282) 13.071 2.426 ( 8.441 0.000 -3.700) 9.217 2.581 ( 0.751 0.000 -1.226) 1.438 2.867 ( -0.752 0.000 -5.504) 5.555 2.902 ( 5.273 0.000 -9.139) 10.551 3.011 ( 0.906 0.000 0.418) 0.998 3.078 ( 3.429 0.000 -4.228) 5.444 3.357 ( 0.386 0.000 -14.570) 14.575 3.363 ( 2.030 0.000 3.079) 3.688 3.458 ( -10.858 0.000 6.422) 12.615 3.790 ( -3.197 0.000 0.239) 3.206 3.808 ( 2.873 0.000 7.995) 8.495 4.039 ( 0.794 0.000 -3.004) 3.107 4.265 ( -2.481 0.000 2.223) 3.331 4.378 ( -3.233 0.000 7.919) 8.553 4.582 ( -1.592 0.000 2.545) 3.002 5.076 ( 1.109 0.000 11.583) 11.636 5.303 ( 2.858 0.000 -0.197) 2.865 5.313 ( -8.751 0.000 10.370) 13.569 5.478 ( 13.573 0.000 1.416) 13.646 5.974 ( -6.375 0.000 8.923) 10.966 6.029 ( 4.350 0.000 -1.901) 4.747 7.504 ( -16.312 0.000 16.999) 23.560 7.508 ( -7.739 0.000 -4.370) 8.888 7.616 ( -0.808 0.000 6.188) 6.241 7.845 ( 4.595 0.000 3.839) 5.988 8.552 ( -1.545 0.000 -7.130) 7.295 8.646 ( -24.501 0.000 23.040) 33.632 9.091 ( 8.143 0.000 -20.645) 22.193 9.206 ( 15.433 0.000 -7.029) 16.959 9.413 ( -28.123 0.000 3.240) 28.309 9.839 ( -4.852 0.000 4.385) 6.540 9.932 ( -4.898 0.000 7.442) 8.909 10.276 ( 1.664 0.000 7.565) 7.746 12.395 ( 0.282 0.000 8.953) 8.957 13.713 ( 13.409 0.000 1.477) 13.490 14.294 ( -0.657 0.000 -1.934) 2.043 14.534 ( -0.075 0.000 -5.690) 5.691 15.593 ( 2.117 0.000 5.945) 6.310 15.603 ( -16.086 0.000 -1.042) 16.120 17.004 ( -3.480 0.000 -0.689) 3.548 17.323 ( -0.888 0.000 2.950) 3.081 17.458 ( 3.428 0.000 -5.827) 6.761 17.625 ( 8.835 0.000 -5.715) 10.523 ======================= Grid point 100 (47/116) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 7.761 0.000 15.479) 17.315 1.117 ( 17.277 0.000 1.330) 17.328 1.251 ( -9.386 0.000 3.233) 9.927 1.493 ( -4.225 0.000 0.440) 4.248 1.623 ( 6.882 0.000 13.787) 15.409 1.707 ( 9.573 0.000 -0.792) 9.605 1.847 ( 5.573 0.000 -6.061) 8.234 1.940 ( -7.120 0.000 -3.305) 7.850 2.086 ( 5.403 0.000 -5.108) 7.435 2.274 ( 0.701 0.000 -7.191) 7.225 2.375 ( 7.825 0.000 -1.319) 7.935 2.492 ( 0.003 0.000 -0.503) 0.503 2.675 ( 8.545 0.000 -3.985) 9.429 2.860 ( 2.327 0.000 -5.868) 6.313 2.930 ( 0.700 0.000 -12.771) 12.791 3.013 ( -0.365 0.000 3.525) 3.543 3.023 ( -4.568 0.000 -3.841) 5.968 3.213 ( -15.338 0.000 6.751) 16.758 3.290 ( -1.114 0.000 -13.365) 13.411 3.500 ( 8.453 0.000 -0.906) 8.502 3.697 ( -5.929 0.000 -3.997) 7.150 3.935 ( 4.968 0.000 9.869) 11.049 4.038 ( -0.656 0.000 -0.988) 1.186 4.208 ( -3.124 0.000 3.892) 4.990 4.335 ( -3.883 0.000 6.861) 7.883 4.530 ( -4.182 0.000 0.447) 4.206 5.162 ( 1.180 0.000 13.876) 13.926 5.253 ( -0.448 0.000 7.781) 7.794 5.389 ( 3.639 0.000 3.537) 5.075 5.704 ( 6.945 0.000 -0.647) 6.975 5.932 ( 1.344 0.000 6.755) 6.888 6.125 ( 6.331 0.000 -2.726) 6.893 7.289 ( -11.350 0.000 10.251) 15.294 7.377 ( -3.539 0.000 -6.043) 7.003 7.603 ( -2.694 0.000 4.933) 5.621 7.962 ( 6.363 0.000 4.651) 7.882 8.051 ( -34.084 0.000 37.935) 50.998 8.496 ( -1.480 0.000 -6.801) 6.960 9.098 ( -11.121 0.000 -1.777) 11.262 9.146 ( 6.542 0.000 -22.382) 23.318 9.629 ( 24.562 0.000 -8.180) 25.888 9.814 ( -11.622 0.000 14.976) 18.957 9.868 ( 4.294 0.000 3.235) 5.376 10.324 ( 0.864 0.000 4.414) 4.498 12.456 ( 1.718 0.000 10.398) 10.539 13.979 ( 11.825 0.000 7.487) 13.996 14.303 ( 3.400 0.000 -5.870) 6.783 14.543 ( 3.013 0.000 -3.759) 4.817 15.302 ( -14.682 0.000 -0.837) 14.706 15.560 ( -7.426 0.000 3.235) 8.100 16.951 ( -0.784 0.000 -1.931) 2.084 17.346 ( 1.343 0.000 4.489) 4.686 17.456 ( 0.313 0.000 -6.947) 6.954 17.727 ( 3.422 0.000 -5.804) 6.738 ======================= Grid point 101 (48/116) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -13.956 0.000 6.702) 15.482 1.227 ( 7.681 0.000 10.774) 13.232 1.367 ( -9.268 0.000 7.053) 11.646 1.396 ( 8.510 0.000 -3.084) 9.052 1.766 ( 1.266 0.000 10.880) 10.953 1.830 ( 1.104 0.000 -8.197) 8.271 1.858 ( 1.783 0.000 -2.719) 3.252 1.949 ( 12.648 0.000 -10.645) 16.532 2.186 ( 6.986 0.000 -4.157) 8.130 2.330 ( 2.963 0.000 1.378) 3.268 2.469 ( 1.321 0.000 -3.266) 3.523 2.488 ( 0.263 0.000 -3.457) 3.467 2.756 ( 0.845 0.000 -3.260) 3.368 2.822 ( -7.388 0.000 -0.485) 7.404 2.896 ( 2.018 0.000 -5.336) 5.705 2.923 ( -9.330 0.000 2.658) 9.701 2.967 ( -5.746 0.000 -4.074) 7.044 3.071 ( 6.766 0.000 -3.587) 7.658 3.270 ( 4.782 0.000 -8.035) 9.350 3.535 ( -7.961 0.000 -5.855) 9.882 3.622 ( 4.317 0.000 -1.007) 4.433 4.014 ( -1.050 0.000 -0.316) 1.096 4.050 ( 2.567 0.000 10.607) 10.913 4.175 ( -2.758 0.000 3.184) 4.212 4.306 ( -1.101 0.000 5.560) 5.668 4.438 ( -5.011 0.000 1.173) 5.146 5.193 ( -2.281 0.000 12.188) 12.400 5.342 ( 4.647 0.000 7.225) 8.591 5.397 ( -6.759 0.000 13.543) 15.135 5.785 ( 5.856 0.000 -6.832) 8.998 6.045 ( 5.247 0.000 0.668) 5.289 6.234 ( 5.402 0.000 -4.065) 6.760 7.155 ( -4.981 0.000 4.589) 6.773 7.267 ( -8.979 0.000 8.636) 12.459 7.627 ( 8.068 0.000 -5.817) 9.947 7.771 ( -8.984 0.000 22.278) 24.022 8.126 ( 7.551 0.000 7.160) 10.406 8.448 ( -0.954 0.000 -3.986) 4.099 8.841 ( -14.696 0.000 1.258) 14.750 9.185 ( 7.236 0.000 -24.794) 25.829 9.624 ( -13.753 0.000 17.756) 22.459 9.968 ( 3.933 0.000 4.442) 5.932 10.099 ( 26.072 0.000 -4.763) 26.503 10.337 ( -0.973 0.000 1.699) 1.958 12.519 ( -0.340 0.000 12.704) 12.708 14.197 ( 5.331 0.000 13.209) 14.244 14.400 ( 10.638 0.000 -10.289) 14.800 14.623 ( 6.331 0.000 -1.672) 6.548 15.036 ( -11.878 0.000 -0.673) 11.897 15.359 ( -12.587 0.000 -1.405) 12.665 16.961 ( 1.962 0.000 -1.085) 2.242 17.397 ( 1.689 0.000 5.394) 5.653 17.426 ( -0.324 0.000 -9.234) 9.240 17.725 ( -1.131 0.000 -4.137) 4.288 ======================= Grid point 102 (49/116) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -11.697 0.000 9.203) 14.883 1.176 ( -11.265 0.000 6.897) 13.209 1.399 ( -4.052 0.000 -2.200) 4.611 1.411 ( 4.715 0.000 9.037) 10.193 1.790 ( -0.289 0.000 -7.276) 7.281 1.839 ( -4.621 0.000 0.446) 4.642 1.898 ( 7.287 0.000 5.909) 9.382 2.161 ( 4.048 0.000 -8.337) 9.268 2.241 ( -1.700 0.000 -3.674) 4.049 2.290 ( 2.345 0.000 -2.427) 3.375 2.439 ( -4.175 0.000 -4.985) 6.502 2.472 ( -3.848 0.000 0.225) 3.854 2.647 ( -5.352 0.000 -0.799) 5.411 2.691 ( -4.977 0.000 -0.103) 4.978 2.812 ( -4.598 0.000 0.207) 4.603 2.879 ( 2.884 0.000 -3.132) 4.258 2.963 ( 5.206 0.000 -13.766) 14.718 3.224 ( 8.324 0.000 -4.523) 9.474 3.330 ( -1.140 0.000 -6.388) 6.489 3.460 ( 7.503 0.000 -1.804) 7.716 3.661 ( -0.223 0.000 1.644) 1.659 3.990 ( -2.050 0.000 1.043) 2.300 4.099 ( -1.881 0.000 8.684) 8.885 4.135 ( -1.151 0.000 0.706) 1.351 4.322 ( 0.019 0.000 4.809) 4.809 4.384 ( -0.780 0.000 4.226) 4.298 5.178 ( -3.834 0.000 10.143) 10.844 5.279 ( -9.772 0.000 14.316) 17.333 5.456 ( 3.729 0.000 9.042) 9.781 5.844 ( 0.360 0.000 -5.371) 5.383 6.097 ( 1.788 0.000 -3.671) 4.083 6.262 ( -1.316 0.000 -4.385) 4.578 7.156 ( 4.168 0.000 1.483) 4.424 7.183 ( -2.151 0.000 11.091) 11.297 7.740 ( 0.089 0.000 16.038) 16.038 7.899 ( 19.368 0.000 -14.555) 24.227 8.265 ( 2.065 0.000 10.891) 11.085 8.439 ( 0.637 0.000 1.024) 1.206 8.568 ( -13.882 0.000 3.296) 14.268 9.213 ( 3.148 0.000 -23.261) 23.473 9.485 ( -3.472 0.000 11.583) 12.092 10.032 ( 0.658 0.000 5.553) 5.592 10.298 ( -3.256 0.000 -0.193) 3.261 10.597 ( 26.517 0.000 -1.606) 26.566 12.532 ( -3.737 0.000 14.189) 14.673 14.270 ( -0.304 0.000 -1.351) 1.385 14.532 ( 0.065 0.000 -5.360) 5.360 14.774 ( 9.526 0.000 0.455) 9.537 14.960 ( 8.296 0.000 9.132) 12.338 15.104 ( -11.788 0.000 -5.147) 12.863 16.999 ( 1.952 0.000 -0.028) 1.952 17.359 ( -2.711 0.000 -12.334) 12.629 17.445 ( 0.877 0.000 5.543) 5.612 17.670 ( -2.784 0.000 -2.353) 3.645 ======================= Grid point 103 (50/116) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -1.529 0.000 14.830) 14.909 0.981 ( -11.891 0.000 9.443) 15.184 1.320 ( -3.900 0.000 2.582) 4.677 1.470 ( -0.396 0.000 1.800) 1.843 1.630 ( -15.199 0.000 1.810) 15.306 1.753 ( -5.321 0.000 -1.695) 5.585 1.956 ( -9.076 0.000 1.660) 9.226 2.045 ( 1.542 0.000 1.046) 1.863 2.197 ( -3.895 0.000 3.071) 4.960 2.288 ( -10.050 0.000 0.011) 10.050 2.368 ( -2.218 0.000 -6.651) 7.012 2.442 ( 13.175 0.000 -12.897) 18.437 2.575 ( -4.315 0.000 -3.138) 5.335 2.698 ( 7.164 0.000 -3.136) 7.820 2.810 ( 2.287 0.000 -1.778) 2.897 2.931 ( 3.307 0.000 -5.069) 6.052 2.936 ( -1.698 0.000 -15.820) 15.911 3.315 ( 3.124 0.000 -4.800) 5.727 3.334 ( 4.624 0.000 -3.276) 5.667 3.635 ( -3.365 0.000 3.531) 4.878 3.671 ( 11.913 0.000 -0.634) 11.930 3.945 ( -2.744 0.000 3.662) 4.576 4.056 ( -4.782 0.000 6.113) 7.761 4.144 ( 1.858 0.000 -2.936) 3.474 4.340 ( 0.062 0.000 5.367) 5.367 4.433 ( 2.735 0.000 6.303) 6.871 5.129 ( -5.112 0.000 10.573) 11.744 5.163 ( -6.693 0.000 10.737) 12.652 5.549 ( 1.557 0.000 11.167) 11.275 5.723 ( -10.361 0.000 -0.762) 10.389 6.119 ( 1.650 0.000 -3.959) 4.288 6.164 ( -5.850 0.000 -5.696) 8.165 7.263 ( 5.511 0.000 7.855) 9.595 7.314 ( 10.979 0.000 0.158) 10.980 7.840 ( 4.467 0.000 9.406) 10.413 8.229 ( 14.959 0.000 -8.359) 17.137 8.254 ( -9.766 0.000 19.443) 21.758 8.368 ( -2.946 0.000 -1.786) 3.444 8.487 ( 4.045 0.000 1.404) 4.282 9.105 ( -4.130 0.000 -15.916) 16.443 9.609 ( 11.671 0.000 -2.346) 11.904 10.036 ( -2.424 0.000 5.642) 6.141 10.222 ( -3.877 0.000 -0.723) 3.944 11.082 ( 23.238 0.000 -3.941) 23.570 12.492 ( -5.735 0.000 14.097) 15.219 14.109 ( -13.413 0.000 -17.909) 22.375 14.451 ( -3.510 0.000 1.254) 3.728 14.877 ( -8.463 0.000 -7.696) 11.439 14.990 ( 11.210 0.000 2.964) 11.595 15.380 ( 26.110 0.000 14.502) 29.867 17.031 ( 1.135 0.000 0.920) 1.461 17.207 ( -7.864 0.000 -13.696) 15.793 17.465 ( -1.059 0.000 4.833) 4.948 17.614 ( -2.267 0.000 -0.968) 2.465 ======================= Grid point 104 (51/116) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -9.649 0.000 11.579) 15.073 0.823 ( 4.492 0.000 19.662) 20.169 1.105 ( -20.980 0.000 9.845) 23.175 1.453 ( -0.873 0.000 -0.571) 1.043 1.524 ( 7.209 0.000 -2.026) 7.489 1.559 ( -10.298 0.000 3.912) 11.016 1.847 ( -6.021 0.000 0.083) 6.021 1.924 ( -7.961 0.000 -2.490) 8.342 2.188 ( 0.420 0.000 -2.261) 2.300 2.266 ( 3.450 0.000 -1.499) 3.762 2.302 ( -1.196 0.000 -4.418) 4.577 2.497 ( -1.357 0.000 -1.577) 2.080 2.585 ( 5.583 0.000 -17.083) 17.972 2.824 ( 0.149 0.000 -10.820) 10.821 2.840 ( 7.347 0.000 -1.847) 7.576 2.875 ( 2.558 0.000 0.038) 2.559 2.954 ( 1.530 0.000 -7.334) 7.492 3.366 ( 3.809 0.000 -8.483) 9.299 3.382 ( 1.530 0.000 -0.639) 1.658 3.568 ( -4.856 0.000 4.835) 6.852 3.824 ( 1.836 0.000 1.832) 2.593 3.971 ( -6.308 0.000 4.551) 7.778 3.974 ( 5.557 0.000 0.188) 5.560 4.169 ( 2.475 0.000 -3.150) 4.006 4.371 ( 0.517 0.000 6.717) 6.737 4.511 ( 2.562 0.000 6.056) 6.576 5.075 ( -4.670 0.000 11.754) 12.648 5.128 ( 0.278 0.000 6.008) 6.014 5.501 ( -11.585 0.000 2.014) 11.758 5.582 ( -3.758 0.000 12.318) 12.879 6.030 ( -4.192 0.000 -7.779) 8.837 6.113 ( -1.633 0.000 0.060) 1.635 7.416 ( 6.444 0.000 7.553) 9.928 7.539 ( 11.159 0.000 0.664) 11.179 7.886 ( -4.025 0.000 -1.933) 4.465 8.060 ( -18.039 0.000 24.128) 30.126 8.303 ( 6.438 0.000 10.769) 12.547 8.581 ( 3.798 0.000 1.537) 4.097 8.617 ( 20.150 0.000 -15.833) 25.627 8.991 ( 0.809 0.000 -20.922) 20.937 9.829 ( 10.437 0.000 -2.573) 10.750 9.983 ( -5.177 0.000 4.797) 7.058 10.168 ( -1.258 0.000 1.857) 2.243 11.304 ( -4.167 0.000 -14.684) 15.264 12.432 ( -5.571 0.000 12.338) 13.538 13.693 ( -18.896 0.000 -13.540) 23.246 14.397 ( -3.007 0.000 -0.114) 3.010 14.705 ( -5.892 0.000 -8.059) 9.984 15.231 ( 11.672 0.000 4.541) 12.524 15.915 ( 18.939 0.000 0.667) 18.951 17.023 ( -2.111 0.000 -4.057) 4.574 17.051 ( 0.400 0.000 1.726) 1.772 17.437 ( -3.554 0.000 3.407) 4.923 17.575 ( -1.412 0.000 -1.010) 1.736 ======================= Grid point 105 (52/116) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -5.342 1.180 11.185) 12.451 0.852 ( -2.211 5.357 13.235) 14.448 1.147 ( 4.917 5.195 7.189) 10.141 1.443 ( 0.525 -1.332 6.555) 6.709 1.504 ( 1.022 2.215 -0.749) 2.552 1.631 ( -0.312 -0.343 2.244) 2.291 1.737 ( -6.506 2.980 0.224) 7.159 1.930 ( 4.375 6.032 -5.053) 9.003 2.216 ( -4.575 -1.807 -8.729) 10.019 2.246 ( 2.476 0.641 -2.483) 3.565 2.294 ( 3.762 1.245 -5.431) 6.723 2.454 ( -1.190 -1.749 -4.439) 4.917 2.629 ( 0.928 4.904 -8.808) 10.123 2.767 ( 2.307 -3.956 -5.286) 6.994 2.882 ( 4.792 -6.150 -1.014) 7.862 2.931 ( -0.012 0.776 -0.919) 1.203 3.098 ( 3.955 8.492 -5.457) 10.841 3.325 ( 2.910 -5.580 -9.803) 11.649 3.413 ( 0.583 3.158 1.875) 3.719 3.575 ( -1.188 4.834 3.657) 6.177 3.799 ( -4.708 -0.944 6.058) 7.731 3.852 ( -2.002 0.149 -2.423) 3.147 4.083 ( 0.116 3.073 -4.905) 5.789 4.218 ( 3.185 -2.452 0.027) 4.020 4.339 ( -1.625 -5.035 8.912) 10.364 4.581 ( 1.273 0.175 4.086) 4.283 5.059 ( -2.217 1.609 12.896) 13.184 5.249 ( 8.011 1.477 2.514) 8.525 5.365 ( -5.690 2.109 2.444) 6.542 5.451 ( -9.665 -1.793 9.841) 13.910 5.955 ( -0.442 -1.969 -5.609) 5.961 6.087 ( -0.968 1.697 1.847) 2.688 7.529 ( 2.131 -1.823 8.890) 9.322 7.623 ( -13.602 -5.731 14.143) 20.442 7.730 ( 7.162 0.277 3.295) 7.889 7.853 ( -14.459 4.029 6.434) 16.330 8.496 ( 10.748 -5.654 -0.212) 12.146 8.615 ( 4.126 -0.343 0.017) 4.141 8.832 ( 9.753 -5.104 -12.665) 16.780 9.097 ( 11.892 4.786 -19.264) 23.140 9.792 ( -13.810 -15.131 2.879) 20.686 9.865 ( 0.608 -2.979 -1.169) 3.258 10.120 ( -3.493 -3.279 13.849) 14.654 10.538 ( -40.298 -3.319 3.112) 40.554 12.497 ( -2.817 9.424 6.095) 11.571 13.442 ( 3.785 -6.933 -0.951) 7.956 14.320 ( -2.735 -1.388 -0.622) 3.129 14.529 ( -1.977 -5.063 -3.712) 6.582 15.366 ( 5.215 -2.256 8.614) 10.319 15.979 ( -2.963 1.937 -7.214) 8.036 17.092 ( 0.103 3.935 0.362) 3.953 17.325 ( 3.713 4.302 -3.820) 6.847 17.428 ( 0.664 5.626 -1.391) 5.833 17.584 ( 2.371 4.459 -3.955) 6.415 ======================= Grid point 106 (53/116) ======================= q-point: ( 0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 13.173 3.185 5.307) 14.554 0.946 ( 5.961 7.735 12.422) 15.800 1.299 ( 4.433 2.473 6.883) 8.553 1.493 ( 3.537 0.057 -2.453) 4.305 1.541 ( 2.219 -0.713 6.969) 7.348 1.630 ( -3.341 6.091 6.429) 9.465 1.697 ( 5.602 -4.587 -1.192) 7.338 2.040 ( 6.574 4.185 -8.963) 11.877 2.097 ( -3.346 -0.165 -3.762) 5.037 2.258 ( 1.236 0.790 -3.204) 3.524 2.350 ( -4.826 -0.533 -7.804) 9.191 2.421 ( 10.016 -0.026 -4.490) 10.977 2.620 ( -0.443 3.420 -3.263) 4.748 2.796 ( 2.139 -4.829 -4.383) 6.864 2.909 ( 1.250 -1.389 -8.200) 8.410 2.952 ( 1.889 -2.911 0.271) 3.480 3.130 ( -0.881 2.731 -3.866) 4.815 3.312 ( 0.079 -3.859 -10.387) 11.081 3.450 ( 3.194 6.674 1.762) 7.607 3.504 ( -9.045 4.600 4.064) 10.931 3.775 ( -2.839 -1.319 -0.902) 3.258 3.817 ( 3.446 1.685 4.659) 6.035 4.070 ( 0.291 2.426 -3.358) 4.153 4.231 ( -2.530 -3.785 1.773) 4.886 4.332 ( -2.678 -4.148 9.129) 10.379 4.591 ( -1.537 0.107 1.718) 2.308 5.095 ( 0.784 2.217 13.198) 13.405 5.308 ( -6.324 0.258 9.629) 11.523 5.325 ( 0.568 1.192 2.037) 2.428 5.486 ( 13.386 0.915 -0.257) 13.420 5.921 ( -1.733 -2.700 -2.394) 4.004 6.102 ( 1.886 4.136 2.606) 5.240 7.403 ( -13.492 -5.918 14.476) 20.654 7.537 ( -7.108 -0.435 4.947) 8.671 7.659 ( -4.818 3.559 3.535) 6.955 7.849 ( 4.222 0.253 4.171) 5.940 8.535 ( -0.103 -1.533 -6.962) 7.130 8.670 ( -20.168 2.074 19.925) 28.426 8.961 ( 11.641 -9.279 -16.064) 21.901 9.156 ( -6.857 -9.305 -1.893) 11.713 9.435 ( -1.201 5.009 -6.642) 8.405 9.799 ( -5.425 -2.345 6.088) 8.485 9.987 ( -9.525 2.307 7.650) 12.433 10.236 ( -0.058 -3.922 7.033) 8.052 12.484 ( -0.672 8.573 6.926) 11.042 13.622 ( 11.959 -8.880 1.165) 14.941 14.277 ( -1.665 -1.293 -0.632) 2.201 14.500 ( 1.131 -3.780 -3.525) 5.291 15.415 ( -3.992 -2.110 6.593) 7.991 15.859 ( -5.336 9.945 -5.042) 12.362 17.040 ( -4.205 3.459 -0.940) 5.525 17.355 ( 1.053 2.972 1.377) 3.440 17.452 ( 1.141 -0.518 -4.016) 4.207 17.651 ( 5.634 2.333 -6.491) 8.906 ======================= Grid point 107 (54/116) ======================= q-point: ( 0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 10.411 3.440 6.680) 12.839 1.172 ( 12.399 4.965 5.860) 14.585 1.269 ( -6.593 2.151 2.944) 7.534 1.508 ( -3.344 2.579 1.291) 4.416 1.659 ( 6.914 -1.309 1.998) 7.315 1.704 ( 7.874 3.282 6.011) 10.435 1.828 ( 7.535 -1.327 -3.461) 8.397 1.974 ( -4.114 2.276 -5.376) 7.142 2.141 ( 2.962 5.801 -2.446) 6.958 2.255 ( 0.054 -1.072 -5.645) 5.746 2.349 ( 8.176 -2.094 -2.135) 8.706 2.535 ( 0.714 3.777 -2.681) 4.687 2.671 ( 8.621 -0.426 -4.394) 9.686 2.809 ( 1.381 -4.754 -3.616) 6.131 2.890 ( 0.020 -3.288 -11.268) 11.738 2.983 ( 1.997 -1.142 -1.149) 2.572 3.037 ( -6.138 -0.267 -2.141) 6.506 3.225 ( -9.115 0.184 2.847) 9.551 3.315 ( -5.510 3.642 -8.623) 10.862 3.559 ( 5.206 4.486 -0.295) 6.879 3.680 ( -5.278 -1.624 -3.455) 6.514 3.944 ( 4.613 1.839 7.359) 8.878 4.054 ( -1.628 0.933 -0.730) 2.014 4.185 ( -1.471 -3.051 4.001) 5.243 4.302 ( -3.562 -2.529 7.235) 8.451 4.541 ( -3.664 0.374 -0.354) 3.700 5.159 ( -0.663 -0.300 13.982) 14.001 5.295 ( 1.687 4.639 7.258) 8.778 5.371 ( 1.415 -2.068 5.275) 5.840 5.709 ( 7.619 0.787 -2.878) 8.182 5.915 ( 4.123 -1.011 -0.290) 4.255 6.172 ( 4.481 3.364 -0.051) 5.603 7.223 ( -9.947 -4.818 10.950) 15.558 7.391 ( -7.234 -0.031 1.750) 7.443 7.630 ( -0.883 2.605 1.460) 3.114 7.937 ( 0.225 -1.482 9.883) 9.996 8.163 ( -26.079 9.506 29.840) 40.754 8.500 ( -0.814 0.720 -6.723) 6.810 8.964 ( -4.751 -9.225 -8.204) 13.228 9.181 ( 5.416 -1.399 -15.883) 16.839 9.577 ( 10.297 -3.361 -3.388) 11.349 9.793 ( 2.253 -0.902 7.252) 7.647 9.887 ( -1.979 -0.301 6.082) 6.402 10.276 ( 1.059 -4.734 3.721) 6.113 12.520 ( 0.738 6.479 8.999) 11.113 13.858 ( 11.068 -12.508 3.801) 17.129 14.247 ( -1.105 -2.345 -0.771) 2.704 14.556 ( 5.365 -2.125 -1.013) 5.858 15.279 ( -10.267 3.547 0.776) 10.890 15.727 ( -7.493 10.917 -3.573) 13.715 16.978 ( -0.854 2.864 -1.695) 3.436 17.387 ( 1.197 3.511 2.707) 4.592 17.441 ( -0.003 -1.157 -5.201) 5.328 17.708 ( 2.179 -1.853 -4.820) 5.605 ======================= Grid point 108 (55/116) ======================= q-point: ( 0.43 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -12.700 2.662 5.238) 13.993 1.260 ( 7.585 3.296 5.920) 10.170 1.403 ( -6.905 4.647 6.379) 10.486 1.446 ( 8.725 4.426 -1.573) 9.909 1.785 ( 0.529 -3.084 -6.805) 7.490 1.804 ( 5.824 0.197 3.058) 6.581 1.892 ( -1.001 4.349 -2.665) 5.198 1.994 ( 11.164 4.991 -4.406) 12.999 2.214 ( 5.891 2.630 -4.324) 7.767 2.294 ( 1.761 -3.050 2.612) 4.385 2.457 ( 1.927 -0.318 -3.554) 4.055 2.514 ( -1.002 2.012 -4.613) 5.132 2.753 ( 1.269 -1.221 -4.933) 5.238 2.799 ( -0.435 -1.141 -2.769) 3.026 2.879 ( -2.702 -2.371 -6.024) 7.015 2.948 ( -0.004 -1.795 -3.669) 4.084 2.970 ( -6.555 3.330 5.816) 9.375 3.071 ( 1.215 0.851 -4.162) 4.418 3.248 ( 1.643 -0.610 -8.116) 8.303 3.532 ( -6.000 -0.050 -5.344) 8.035 3.646 ( 2.534 1.469 -0.530) 2.976 3.974 ( -2.349 -2.633 1.461) 3.819 4.072 ( 1.916 0.918 8.405) 8.669 4.197 ( -0.942 1.683 4.356) 4.764 4.273 ( -0.915 -2.849 5.193) 5.993 4.458 ( -4.371 1.166 -0.245) 4.530 5.181 ( -2.075 -1.161 11.505) 11.748 5.365 ( -3.182 -1.716 10.165) 10.789 5.388 ( 1.405 3.429 8.530) 9.300 5.787 ( 4.919 0.565 -6.541) 8.204 6.043 ( 6.081 -0.230 -1.643) 6.303 6.254 ( 3.790 1.264 -2.680) 4.811 7.118 ( -3.836 -3.043 6.363) 8.029 7.261 ( -8.927 -0.971 10.779) 14.030 7.670 ( 7.707 3.730 -8.234) 11.879 7.806 ( -10.779 3.449 24.370) 26.869 8.167 ( 7.512 3.875 8.285) 11.836 8.457 ( -1.201 1.347 -4.359) 4.717 8.771 ( -12.511 -6.595 0.806) 14.166 9.200 ( 5.703 0.871 -22.997) 23.709 9.556 ( -10.441 -5.820 12.921) 17.602 9.958 ( 4.573 -2.484 3.977) 6.550 10.049 ( 18.133 -4.329 -0.969) 18.668 10.303 ( 2.310 -3.147 0.032) 3.904 12.562 ( -0.822 4.645 11.347) 12.288 14.065 ( 8.232 -21.045 2.138) 22.699 14.240 ( 0.649 0.207 3.869) 3.928 14.682 ( 6.394 -3.821 2.790) 7.954 15.071 ( -9.414 10.287 -4.420) 14.628 15.546 ( -8.178 12.867 -5.875) 16.339 16.995 ( 2.635 3.455 -0.956) 4.449 17.398 ( -0.013 -1.592 -6.218) 6.419 17.435 ( 0.580 2.584 2.430) 3.594 17.701 ( -1.053 -2.348 -2.951) 3.915 ======================= Grid point 109 (56/116) ======================= q-point: (-0.43 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -12.173 3.063 6.299) 14.045 1.263 ( -9.308 8.333 8.597) 15.165 1.381 ( 2.280 -0.931 -2.355) 3.408 1.507 ( -1.039 8.103 0.591) 8.190 1.770 ( 1.856 -1.208 -5.755) 6.167 1.867 ( -3.079 1.205 -1.253) 3.536 1.936 ( 6.111 3.607 6.455) 9.593 2.160 ( -7.348 0.413 -0.871) 7.411 2.211 ( 6.423 -1.117 -6.822) 9.436 2.312 ( 3.476 0.138 -3.475) 4.917 2.445 ( -3.250 0.731 -0.622) 3.388 2.457 ( -3.305 0.907 -5.656) 6.613 2.696 ( -6.853 1.861 -0.543) 7.122 2.730 ( -5.021 3.401 -0.275) 6.070 2.780 ( -0.491 -1.726 -3.617) 4.037 2.879 ( 0.048 0.501 -2.259) 2.314 3.006 ( 6.212 3.885 -11.972) 14.036 3.191 ( 8.027 -3.060 -2.334) 8.902 3.275 ( 1.797 -5.294 -6.262) 8.394 3.452 ( 1.614 0.818 -1.980) 2.682 3.685 ( 1.903 1.098 0.103) 2.199 3.936 ( -2.392 -3.733 2.419) 5.051 4.119 ( -0.330 0.494 5.120) 5.154 4.176 ( -2.139 3.250 4.904) 6.260 4.294 ( 0.060 -2.535 4.673) 5.316 4.401 ( -0.887 1.206 1.787) 2.331 5.161 ( -4.236 -1.347 8.854) 9.907 5.290 ( -7.278 0.578 14.119) 15.895 5.467 ( 2.225 1.644 8.433) 8.875 5.836 ( 0.766 -0.595 -5.508) 5.593 6.093 ( 1.189 -0.394 -4.140) 4.326 6.264 ( -2.053 -0.384 -3.767) 4.307 7.145 ( 4.882 -1.025 2.826) 5.734 7.184 ( -2.331 -0.172 11.955) 12.181 7.754 ( -1.478 1.511 16.658) 16.791 7.890 ( 15.094 0.143 -9.852) 18.025 8.320 ( 0.754 2.444 14.657) 14.878 8.435 ( 1.250 2.164 -3.150) 4.021 8.546 ( -9.707 -2.491 2.564) 10.345 9.216 ( 3.003 0.228 -22.556) 22.756 9.432 ( -2.924 -4.772 6.390) 8.494 10.037 ( 1.424 -2.193 4.514) 5.216 10.191 ( -1.936 -8.253 2.780) 8.921 10.559 ( 22.092 -3.757 -1.672) 22.471 12.567 ( -3.468 3.824 12.536) 13.557 14.113 ( -1.672 -23.652 -9.504) 25.545 14.353 ( 5.843 -2.159 14.015) 15.337 14.722 ( -6.112 -8.848 3.861) 11.426 14.974 ( 2.909 13.775 -4.174) 14.684 15.438 ( 1.897 16.865 -6.661) 18.232 17.048 ( 2.522 4.496 -0.505) 5.180 17.359 ( -0.416 -0.103 -11.187) 11.195 17.458 ( 0.019 1.354 4.915) 5.098 17.657 ( -2.310 -1.313 -1.286) 2.952 ======================= Grid point 110 (57/116) ======================= q-point: (-0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -4.511 0.795 10.424) 11.386 1.112 ( -10.266 10.368 10.702) 18.094 1.331 ( -3.918 -1.482 -5.845) 7.191 1.482 ( -2.479 4.587 2.179) 5.651 1.685 ( -13.320 2.463 0.612) 13.559 1.786 ( -3.609 4.631 -1.042) 5.963 1.942 ( -5.808 -0.385 1.368) 5.979 2.090 ( 4.920 3.187 3.805) 6.988 2.196 ( -11.516 0.886 2.791) 11.883 2.311 ( -3.562 -0.447 -2.380) 4.308 2.365 ( -0.910 0.811 -6.484) 6.598 2.429 ( 5.860 2.248 -8.940) 10.923 2.620 ( -0.796 1.969 -4.516) 4.991 2.696 ( 3.169 -0.737 -2.092) 3.868 2.788 ( 1.884 -2.503 -3.366) 4.598 2.875 ( 0.607 1.015 -9.219) 9.294 3.057 ( 3.484 6.804 -10.294) 12.822 3.276 ( 1.720 -4.639 -4.746) 6.856 3.310 ( 4.848 -1.844 -0.634) 5.226 3.548 ( 5.648 -3.714 -1.467) 6.917 3.739 ( 3.848 2.327 2.988) 5.399 3.896 ( -2.988 -2.017 3.950) 5.348 4.119 ( -0.195 0.746 -0.952) 1.225 4.151 ( -1.493 3.030 2.666) 4.303 4.308 ( -0.571 -2.952 5.877) 6.601 4.440 ( 2.945 0.208 4.284) 5.203 5.099 ( -4.812 -1.466 8.078) 9.516 5.214 ( -6.048 3.647 13.048) 14.836 5.531 ( 0.216 -1.603 10.450) 10.575 5.735 ( -8.882 1.044 -1.480) 9.064 6.102 ( 1.410 -1.592 -4.383) 4.872 6.157 ( -6.202 -1.036 -5.308) 8.229 7.259 ( 5.244 -0.408 8.320) 9.843 7.314 ( 10.781 -0.179 1.806) 10.933 7.820 ( 1.418 -1.887 12.027) 12.256 8.119 ( 6.396 -3.913 2.866) 8.027 8.262 ( -7.555 -3.153 12.690) 15.101 8.466 ( 1.189 4.898 1.215) 5.185 8.505 ( 5.674 4.136 -4.826) 8.520 9.115 ( -3.207 1.146 -16.673) 17.018 9.540 ( 11.683 -6.437 -6.754) 14.951 10.030 ( -3.371 -8.088 1.585) 8.905 10.157 ( -2.501 -0.071 6.406) 6.878 10.965 ( 17.948 -10.549 -0.696) 20.830 12.536 ( -4.202 4.314 11.698) 13.157 13.941 ( -12.027 -19.268 -13.164) 26.252 14.461 ( -0.934 0.626 4.239) 4.386 14.607 ( -3.979 -12.017 5.303) 13.725 15.048 ( 5.188 7.321 0.567) 8.991 15.615 ( 16.417 11.538 -1.868) 20.153 17.073 ( 0.278 3.724 -1.470) 4.013 17.301 ( -0.516 7.869 -11.825) 14.213 17.470 ( -0.743 0.718 4.084) 4.213 17.612 ( -1.935 -0.105 -0.150) 1.944 ======================= Grid point 111 (58/116) ======================= q-point: (-0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -0.866 -1.680 12.842) 12.980 0.951 ( -11.523 5.787 15.256) 19.976 1.173 ( -9.499 3.981 -1.370) 10.391 1.436 ( -1.800 -3.440 2.321) 4.524 1.510 ( -3.062 3.891 1.217) 5.099 1.669 ( -5.040 9.745 2.285) 11.207 1.864 ( -5.909 1.921 -1.302) 6.348 1.977 ( -7.728 4.417 0.216) 8.904 2.184 ( 3.540 -0.632 -1.114) 3.764 2.287 ( -0.110 1.227 -5.337) 5.478 2.316 ( -0.624 2.156 -4.888) 5.379 2.440 ( 0.267 -2.742 -3.582) 4.519 2.650 ( 3.795 3.727 -10.474) 11.747 2.765 ( 1.567 -2.231 -8.500) 8.927 2.788 ( 3.043 -6.743 -0.613) 7.423 2.889 ( 4.021 2.761 -2.774) 5.611 3.072 ( 1.919 8.573 -7.484) 11.541 3.297 ( 2.341 -6.419 -5.302) 8.649 3.380 ( 2.607 -0.089 0.100) 2.611 3.591 ( -0.412 2.265 0.179) 2.309 3.842 ( 3.249 0.957 0.574) 3.436 3.856 ( -2.459 -3.127 5.525) 6.809 4.100 ( -0.346 4.084 -3.361) 5.301 4.160 ( 1.971 -0.467 -1.015) 2.266 4.324 ( -0.460 -4.170 7.710) 8.778 4.520 ( 2.991 0.004 4.951) 5.784 5.062 ( -2.388 -0.500 9.021) 9.345 5.170 ( -2.163 3.741 9.489) 10.427 5.507 ( -8.107 -1.489 3.944) 9.138 5.569 ( -6.842 0.597 9.112) 11.411 6.020 ( -4.295 -1.173 -7.207) 8.471 6.104 ( -0.271 -1.064 -1.898) 2.193 7.409 ( 6.123 -0.724 8.001) 10.101 7.541 ( 11.046 -0.173 2.007) 11.228 7.806 ( -8.632 -6.196 10.381) 14.855 8.090 ( -11.911 2.371 12.097) 17.141 8.264 ( 5.852 -3.734 12.085) 13.937 8.557 ( 4.686 -1.777 0.186) 5.015 8.650 ( 13.125 2.580 -13.597) 19.074 9.025 ( 3.042 3.291 -22.266) 22.712 9.748 ( 10.917 -6.765 -5.900) 14.134 9.947 ( -5.277 -11.324 0.649) 12.510 10.135 ( -3.406 2.612 10.741) 11.567 11.098 ( -8.649 -16.968 -3.464) 19.357 12.514 ( -1.998 6.848 8.363) 10.992 13.590 ( -15.948 -11.210 -9.169) 21.542 14.392 ( -4.334 -0.382 -0.795) 4.423 14.580 ( -2.091 -8.622 0.557) 8.890 15.196 ( 8.139 1.723 6.127) 10.332 15.923 ( 12.475 -1.100 -3.789) 13.084 17.064 ( 1.008 4.411 -2.562) 5.199 17.275 ( 2.176 14.539 -7.121) 16.335 17.455 ( -2.069 2.599 1.933) 3.843 17.583 ( -0.803 1.345 -0.932) 1.823 ======================= Grid point 112 (59/116) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -0.376 8.844 1.745) 9.022 0.947 ( 0.501 4.705 10.265) 11.303 1.196 ( 5.142 0.064 -1.114) 5.261 1.356 ( 4.546 -5.623 2.400) 7.618 1.597 ( -1.667 7.395 -0.718) 7.615 1.701 ( -8.858 5.207 2.816) 10.654 1.880 ( -8.455 9.102 5.137) 13.443 2.051 ( 6.699 7.760 -5.461) 11.615 2.139 ( -3.590 -5.745 -10.424) 12.432 2.239 ( 4.514 0.721 -2.112) 5.035 2.356 ( -0.543 2.883 -3.828) 4.823 2.472 ( -0.654 3.121 -0.882) 3.309 2.644 ( 1.843 -7.042 3.175) 7.941 2.727 ( -0.230 3.442 -8.716) 9.374 2.794 ( 5.105 -2.847 -8.715) 10.494 2.951 ( 0.114 0.198 -3.450) 3.457 3.156 ( 5.904 -3.955 -10.012) 12.278 3.236 ( -0.245 -1.029 -3.187) 3.358 3.539 ( 2.997 9.689 4.352) 11.036 3.673 ( -1.366 5.146 0.957) 5.409 3.813 ( -2.463 1.792 2.755) 4.107 3.861 ( -1.607 1.273 -4.463) 4.912 4.109 ( 0.539 -2.183 -3.003) 3.752 4.139 ( 1.396 -5.606 0.674) 5.817 4.246 ( -1.815 -2.502 8.527) 9.070 4.546 ( 1.650 -4.194 2.696) 5.252 5.117 ( -0.148 4.237 12.807) 13.491 5.286 ( 3.917 2.199 6.061) 7.544 5.348 ( -5.225 -2.658 7.402) 9.442 5.466 ( -6.771 2.074 3.264) 7.798 5.923 ( -0.276 -0.840 -7.470) 7.522 6.091 ( 2.641 -1.703 -4.398) 5.405 7.475 ( -5.234 -2.767 14.450) 15.616 7.545 ( -7.270 -2.823 20.043) 21.506 7.741 ( 5.660 1.031 2.861) 6.425 7.903 ( -12.101 0.399 4.256) 12.834 8.400 ( 9.926 -3.177 -0.997) 10.469 8.579 ( 5.282 -3.379 -0.861) 6.330 8.771 ( 5.023 -1.127 -12.627) 13.636 9.104 ( 1.553 -5.991 -13.633) 14.972 9.526 ( -3.807 -6.979 1.651) 8.119 9.777 ( 7.398 -6.201 -5.925) 11.326 10.129 ( -11.941 3.200 17.985) 21.824 10.451 ( -25.220 -5.618 8.594) 27.229 12.680 ( -0.057 9.398 3.200) 9.928 13.266 ( 3.989 -10.818 -0.213) 11.532 14.308 ( -3.346 0.763 -0.318) 3.447 14.449 ( -2.669 -3.053 -1.096) 4.201 15.434 ( 4.721 8.044 4.593) 10.396 15.944 ( 3.322 -4.988 -5.464) 8.110 17.183 ( -0.816 5.056 -0.035) 5.121 17.380 ( -0.198 1.054 -3.243) 3.415 17.491 ( -1.412 3.205 -0.121) 3.505 17.695 ( 2.528 4.020 -9.490) 10.612 ======================= Grid point 113 (60/116) ======================= q-point: ( 0.14 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 13.078 8.718 -1.051) 15.753 1.073 ( 7.390 5.337 10.220) 13.695 1.344 ( 7.326 1.403 -0.549) 7.479 1.485 ( 3.348 -2.399 5.129) 6.578 1.528 ( 1.178 0.315 -2.355) 2.652 1.665 ( 1.748 4.416 1.016) 4.857 1.782 ( -2.560 6.561 4.327) 8.266 2.033 ( -2.217 -2.683 -8.756) 9.423 2.175 ( 8.399 5.480 -4.790) 11.114 2.275 ( -2.217 2.295 0.615) 3.250 2.383 ( -2.210 3.002 -3.694) 5.248 2.431 ( 7.119 1.464 -4.492) 8.545 2.673 ( -1.127 -2.043 -4.348) 4.934 2.715 ( 1.862 0.073 -0.044) 1.864 2.830 ( 2.912 -3.953 -10.375) 11.478 2.955 ( 1.688 -0.116 -5.414) 5.672 3.161 ( -4.198 0.977 -3.875) 5.796 3.226 ( 2.649 -4.406 -8.814) 10.204 3.547 ( -5.650 4.484 4.435) 8.468 3.624 ( -1.376 5.530 1.640) 5.930 3.746 ( -4.720 -0.959 -2.580) 5.464 3.891 ( 6.102 5.558 1.997) 8.492 4.098 ( -0.769 -4.034 0.884) 4.200 4.136 ( -2.817 -1.017 -1.264) 3.251 4.256 ( -0.890 -2.991 9.489) 9.989 4.558 ( -1.127 -3.996 0.556) 4.190 5.152 ( -1.856 3.172 13.991) 14.465 5.314 ( -1.737 -1.747 8.177) 8.540 5.346 ( -0.455 3.257 6.570) 7.347 5.516 ( 11.903 1.671 -2.580) 12.293 5.897 ( 0.719 0.664 -8.242) 8.300 6.138 ( 3.527 -0.930 -2.661) 4.515 7.317 ( -13.454 -2.392 19.588) 23.883 7.498 ( -8.021 -3.559 12.220) 15.044 7.728 ( -5.012 3.311 1.576) 6.211 7.847 ( 2.751 -0.694 5.191) 5.916 8.513 ( 4.383 -0.133 -7.787) 8.937 8.705 ( -10.390 1.225 12.218) 16.085 8.793 ( 9.215 -7.930 -11.955) 17.051 8.949 ( -7.080 -10.319 -1.713) 12.631 9.552 ( 8.191 6.283 -12.015) 15.840 9.761 ( -8.085 -1.760 4.891) 9.612 9.982 ( -10.803 -2.056 12.861) 16.922 10.143 ( -5.092 -5.504 6.301) 9.794 12.683 ( -0.666 11.612 4.047) 12.315 13.408 ( 8.652 -12.800 1.026) 15.483 14.263 ( -1.919 0.126 1.062) 2.197 14.414 ( 0.249 -4.499 -0.614) 4.547 15.498 ( -0.169 8.918 2.721) 9.326 15.945 ( -0.666 -0.455 -6.642) 6.691 17.122 ( -4.435 4.867 -0.856) 6.640 17.380 ( 0.987 -1.860 -3.123) 3.767 17.480 ( 0.176 4.591 0.591) 4.633 17.688 ( 0.327 0.792 -6.637) 6.692 ======================= Grid point 114 (61/116) ======================= q-point: ( 0.29 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 12.112 7.388 -3.384) 14.585 1.260 ( 3.487 4.155 8.465) 10.054 1.351 ( 1.242 5.848 -0.193) 5.981 1.581 ( -0.249 0.121 8.485) 8.489 1.605 ( 7.630 0.177 -6.917) 10.300 1.714 ( 2.876 -2.610 -2.958) 4.882 1.853 ( 8.215 3.000 1.677) 8.905 2.019 ( 3.769 3.576 -4.031) 6.576 2.237 ( -0.850 0.331 -0.358) 0.980 2.285 ( -2.866 5.493 -3.456) 7.094 2.348 ( 9.906 3.907 -2.594) 10.960 2.578 ( 1.883 -0.530 -4.827) 5.208 2.657 ( 6.190 -1.118 -4.541) 7.758 2.733 ( 0.334 -2.595 -2.350) 3.517 2.830 ( 0.969 -2.161 -10.174) 10.446 2.957 ( 0.893 -2.548 -5.703) 6.310 3.038 ( -5.966 1.226 -2.507) 6.587 3.207 ( -2.793 -1.898 -3.269) 4.700 3.416 ( -5.839 6.324 -3.231) 9.194 3.630 ( -3.600 2.201 -1.507) 4.480 3.648 ( -0.745 -0.735 0.514) 1.165 4.011 ( -1.694 -0.239 0.832) 1.902 4.041 ( -0.535 0.211 5.683) 5.712 4.115 ( 1.777 -0.608 2.340) 3.000 4.265 ( -1.743 -1.551 7.527) 7.880 4.515 ( -2.823 -3.508 -1.187) 4.657 5.158 ( -2.279 0.381 12.070) 12.289 5.310 ( -1.541 -4.037 7.011) 8.236 5.424 ( 4.104 8.422 6.897) 11.633 5.734 ( 9.233 1.212 -3.688) 10.016 5.913 ( 5.229 1.291 -6.507) 8.447 6.199 ( 3.598 -1.332 -2.448) 4.551 7.155 ( -9.740 -1.548 14.965) 17.922 7.354 ( -10.327 -3.848 12.477) 16.647 7.697 ( 0.820 4.232 -0.759) 4.377 7.906 ( 0.208 -2.026 9.568) 9.783 8.349 ( -21.016 8.504 20.377) 30.483 8.545 ( 0.894 4.768 -4.136) 6.375 8.784 ( -4.368 -9.146 -7.491) 12.603 9.079 ( 12.703 -8.131 -14.078) 20.632 9.547 ( -5.355 -0.056 0.842) 5.422 9.780 ( 9.068 -2.718 -4.009) 10.280 9.846 ( -5.476 -1.109 11.427) 12.719 10.163 ( 2.105 -6.762 1.562) 7.253 12.691 ( -0.604 11.252 6.116) 12.821 13.559 ( 5.865 -17.356 1.455) 18.378 14.243 ( -0.596 1.428 3.693) 4.004 14.465 ( 4.011 -5.841 3.217) 7.782 15.448 ( -4.457 12.050 -2.836) 13.157 15.866 ( -4.566 2.984 -8.021) 9.699 17.057 ( -0.959 5.250 -1.242) 5.480 17.373 ( -0.254 -3.871 -4.264) 5.765 17.494 ( 0.442 5.022 1.879) 5.380 17.667 ( -0.425 -2.167 -2.826) 3.587 ======================= Grid point 115 (62/116) ======================= q-point: ( 0.43 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -9.749 5.326 -0.487) 11.120 1.343 ( 4.892 4.949 -2.205) 7.300 1.528 ( 8.484 3.195 -0.501) 9.080 1.543 ( -2.824 8.519 6.685) 11.191 1.704 ( 1.961 -4.625 -4.922) 7.033 1.772 ( 6.773 -2.676 -1.723) 7.484 2.000 ( 3.860 5.786 -5.446) 8.834 2.115 ( 7.365 6.516 1.181) 9.904 2.235 ( 0.435 -0.722 -1.810) 1.996 2.289 ( 2.235 3.576 1.172) 4.377 2.480 ( 3.508 1.707 -3.093) 4.979 2.532 ( -2.585 0.230 -5.649) 6.217 2.690 ( -0.310 -5.571 -8.663) 10.304 2.776 ( 2.237 -0.947 -2.057) 3.183 2.827 ( 3.704 -3.135 -5.570) 7.387 2.921 ( -2.904 -0.687 -2.317) 3.778 3.009 ( 4.673 1.464 -2.988) 5.737 3.100 ( -5.845 0.918 -0.157) 5.918 3.307 ( -3.920 7.231 -7.490) 11.124 3.542 ( -2.491 1.273 -4.860) 5.608 3.655 ( 0.034 -0.531 1.256) 1.364 3.905 ( -4.614 -5.923 -0.250) 7.512 4.088 ( 0.248 1.679 8.015) 8.193 4.198 ( 3.302 -0.877 5.022) 6.074 4.249 ( -2.615 0.257 6.105) 6.646 4.450 ( -3.076 -2.512 -1.619) 4.289 5.162 ( -1.860 -0.489 9.500) 9.692 5.297 ( -3.036 -4.375 8.455) 9.992 5.513 ( 1.857 8.683 7.073) 11.352 5.816 ( 2.827 2.255 -5.056) 6.216 6.035 ( 6.732 -0.497 -4.206) 7.953 6.244 ( 1.752 -2.899 -3.257) 4.699 7.075 ( -3.124 -0.894 10.135) 10.643 7.221 ( -8.493 -3.159 14.759) 17.319 7.756 ( 6.881 5.321 -5.871) 10.494 7.879 ( -8.885 3.521 22.943) 24.853 8.231 ( 2.238 1.894 7.538) 8.088 8.501 ( -5.080 -0.526 1.753) 5.399 8.654 ( -5.257 -0.527 -2.990) 6.071 9.184 ( 6.255 -3.369 -20.185) 21.399 9.461 ( -6.244 -2.861 4.450) 8.184 9.809 ( 0.248 -11.640 6.393) 13.282 10.011 ( 11.131 0.277 -0.393) 11.142 10.229 ( 6.645 -4.600 -1.932) 8.310 12.699 ( -1.768 9.662 8.232) 12.816 13.633 ( 1.298 -22.420 0.596) 22.465 14.283 ( 2.330 3.320 8.271) 9.212 14.562 ( 3.227 -6.594 6.259) 9.647 15.336 ( -4.220 14.918 -7.545) 17.242 15.729 ( -4.913 5.379 -10.036) 12.402 17.081 ( 3.330 5.169 -0.926) 6.218 17.347 ( 0.070 -3.513 -6.262) 7.181 17.501 ( -0.729 3.660 2.818) 4.676 17.648 ( -0.981 -2.857 -0.436) 3.052 ======================= Grid point 116 (63/116) ======================= q-point: (-0.43 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -9.906 7.557 -1.197) 12.517 1.335 ( -2.905 -1.673 -5.454) 6.402 1.472 ( -5.686 9.316 3.634) 11.503 1.653 ( 1.100 5.505 -0.853) 5.678 1.749 ( 4.908 -0.536 -1.953) 5.309 1.868 ( 2.369 -0.887 -2.145) 3.317 2.022 ( 1.652 5.719 0.557) 5.979 2.150 ( -10.185 -0.289 3.440) 10.754 2.239 ( 3.686 1.687 -6.403) 7.578 2.324 ( 3.799 3.170 -2.799) 5.685 2.458 ( -2.233 0.159 -3.645) 4.277 2.522 ( 1.179 4.328 -1.384) 4.694 2.617 ( -3.149 -7.231 -6.516) 10.231 2.778 ( -2.761 3.187 -0.226) 4.223 2.820 ( -3.595 -1.025 -4.086) 5.538 2.897 ( 2.497 2.596 -3.479) 5.008 3.083 ( 7.425 2.178 -7.539) 10.803 3.132 ( 5.918 -2.279 -1.315) 6.477 3.212 ( -1.816 2.282 -4.947) 5.743 3.498 ( -0.699 3.714 -1.815) 4.193 3.677 ( 2.769 -1.929 -2.192) 4.024 3.858 ( -0.233 -5.392 0.099) 5.398 4.119 ( -0.900 0.194 7.682) 7.737 4.218 ( -2.231 1.014 5.173) 5.724 4.244 ( -0.169 -2.141 3.620) 4.209 4.403 ( -1.073 -1.602 0.157) 1.934 5.144 ( -3.556 -0.105 6.824) 7.696 5.273 ( -3.189 -2.597 12.175) 12.851 5.546 ( -1.437 6.795 8.090) 10.663 5.830 ( -0.126 0.022 -3.854) 3.856 6.082 ( 0.550 -0.764 -5.743) 5.820 6.225 ( -2.694 -3.944 -3.567) 5.962 7.126 ( 4.895 -0.736 6.564) 8.221 7.169 ( -1.800 -1.330 13.405) 13.590 7.804 ( -4.434 3.999 17.336) 18.335 7.933 ( 9.913 4.208 -0.522) 10.782 8.277 ( -6.199 -4.905 12.615) 14.887 8.440 ( 0.278 -6.459 2.584) 6.962 8.608 ( 2.211 11.631 -2.873) 12.183 9.214 ( 5.121 -1.116 -22.128) 22.740 9.344 ( -4.318 -3.325 -2.132) 5.852 9.803 ( -3.774 -18.061 3.037) 18.699 10.167 ( 4.713 2.957 5.851) 8.074 10.464 ( 16.474 -5.879 -1.333) 17.542 12.682 ( -3.331 8.388 9.005) 12.749 13.614 ( -3.426 -25.186 -0.511) 25.423 14.380 ( 3.327 2.970 10.567) 11.470 14.602 ( -2.008 -4.731 5.174) 7.293 15.251 ( -1.256 14.620 -7.442) 16.453 15.649 ( 1.768 5.368 -10.448) 11.879 17.142 ( 2.498 4.912 -1.511) 5.714 17.350 ( 3.728 -1.133 -8.459) 9.314 17.493 ( -1.067 2.274 3.567) 4.363 17.627 ( -1.203 -1.725 0.753) 2.234 ======================= Grid point 117 (64/116) ======================= q-point: (-0.29 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -4.316 8.251 0.464) 9.323 1.237 ( -5.564 -1.781 -2.425) 6.326 1.330 ( -9.159 5.544 -0.003) 10.706 1.566 ( -11.053 0.707 3.891) 11.739 1.744 ( -4.224 6.186 -6.035) 9.619 1.894 ( 1.065 5.201 -1.958) 5.659 1.981 ( -2.002 4.739 4.209) 6.647 2.096 ( 0.946 -1.694 -1.322) 2.348 2.243 ( -0.862 -1.320 -3.039) 3.424 2.295 ( -5.297 5.114 0.771) 7.403 2.405 ( -3.404 2.054 -1.099) 4.125 2.533 ( 0.897 5.819 -5.129) 7.808 2.575 ( 0.855 -6.143 -0.966) 6.277 2.671 ( -2.467 -0.160 -6.929) 7.357 2.788 ( 0.874 1.761 -4.728) 5.120 2.944 ( 3.096 5.092 -5.929) 8.406 3.111 ( -1.058 -5.974 -7.233) 9.441 3.193 ( 4.486 0.318 -4.910) 6.658 3.315 ( 7.598 4.426 0.564) 8.811 3.531 ( 5.523 1.587 -1.597) 5.964 3.738 ( 3.608 -2.003 0.236) 4.133 3.880 ( 1.617 -1.149 0.365) 2.017 4.097 ( -2.965 -1.237 4.210) 5.296 4.202 ( -1.273 0.872 0.885) 1.779 4.250 ( -0.559 -2.385 3.827) 4.544 4.416 ( 1.748 -3.257 3.245) 4.919 5.092 ( -3.795 0.948 6.686) 7.746 5.262 ( -3.471 0.011 13.798) 14.228 5.526 ( -4.147 2.688 8.902) 10.182 5.754 ( -6.513 0.777 -0.994) 6.634 6.065 ( 0.999 -2.253 -6.638) 7.080 6.115 ( -6.333 -3.430 -4.616) 8.554 7.249 ( 4.969 -0.480 9.690) 10.901 7.299 ( 9.385 -1.510 6.253) 11.378 7.801 ( -3.652 0.989 16.009) 16.450 8.101 ( 3.063 -0.215 12.152) 12.534 8.187 ( -3.760 -2.685 5.419) 7.122 8.460 ( 1.029 -2.781 1.616) 3.376 8.669 ( 3.478 10.052 -4.023) 11.372 9.154 ( -1.234 3.017 -18.143) 18.433 9.392 ( 11.231 -8.886 -13.998) 20.026 9.710 ( -5.753 -20.502 1.412) 21.341 10.254 ( 0.697 7.090 10.095) 12.356 10.752 ( 10.597 -10.851 3.165) 15.494 12.650 ( -2.823 7.752 7.645) 11.247 13.493 ( -8.427 -23.515 -1.845) 25.048 14.469 ( 1.517 0.774 8.137) 8.313 14.527 ( -6.240 -0.357 1.043) 6.336 15.239 ( 2.354 11.915 -3.220) 12.565 15.719 ( 8.161 0.171 -7.568) 11.131 17.159 ( 0.779 5.205 -2.665) 5.899 17.401 ( 2.985 1.193 -6.885) 7.598 17.506 ( 1.696 2.929 1.002) 3.530 17.615 ( 0.305 0.501 0.097) 0.594 ======================= Grid point 118 (65/116) ======================= q-point: (-0.14 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 1.236 7.199 2.897) 7.858 1.050 ( -13.866 4.445 9.415) 17.340 1.200 ( -2.565 -0.730 -7.571) 8.027 1.356 ( -7.390 -4.462 3.560) 9.338 1.646 ( -3.689 9.270 -1.426) 10.078 1.881 ( -6.281 8.663 1.083) 10.755 1.954 ( 0.203 8.677 -0.710) 8.708 2.050 ( -6.011 3.223 2.171) 7.158 2.167 ( -0.889 -0.525 -2.477) 2.683 2.253 ( -0.776 -3.441 -6.817) 7.675 2.398 ( 0.968 4.576 -4.687) 6.621 2.439 ( -1.725 1.752 -0.324) 2.480 2.624 ( 0.190 -7.823 2.451) 8.200 2.701 ( 7.290 0.701 -9.472) 11.973 2.773 ( -0.528 2.010 -7.451) 7.736 2.962 ( 1.098 4.493 -5.115) 6.896 3.094 ( 2.812 -8.790 -7.036) 11.605 3.233 ( 1.456 1.011 -2.390) 2.975 3.440 ( 5.377 8.398 1.767) 10.127 3.649 ( 5.548 3.724 -5.267) 8.508 3.808 ( 2.111 -1.196 4.513) 5.124 3.891 ( -0.823 2.676 0.242) 2.810 4.079 ( 0.718 -4.792 0.890) 4.926 4.165 ( -1.932 -1.418 -3.289) 4.069 4.249 ( -1.372 -2.216 6.076) 6.612 4.483 ( 3.091 -4.200 4.230) 6.714 5.075 ( -0.583 2.042 7.981) 8.259 5.247 ( -2.744 2.941 11.772) 12.440 5.447 ( -7.108 -2.025 7.849) 10.781 5.610 ( -8.526 2.084 4.052) 9.667 5.985 ( -3.785 -2.227 -6.950) 8.222 6.069 ( 1.815 -2.634 -6.046) 6.840 7.394 ( 5.213 -0.580 9.546) 10.893 7.508 ( 7.957 -3.504 9.321) 12.746 7.739 ( -8.516 0.436 14.382) 16.720 8.095 ( -8.317 -4.561 8.745) 12.902 8.221 ( 4.729 2.138 9.317) 10.665 8.510 ( 3.417 -3.446 -0.188) 4.857 8.714 ( 5.094 4.508 -11.631) 13.474 9.094 ( 3.919 2.934 -22.952) 23.469 9.581 ( 6.990 -15.159 -4.261) 17.228 9.625 ( 0.926 -12.788 -2.504) 13.064 10.251 ( -6.215 7.691 14.028) 17.163 10.801 ( -9.632 -13.244 6.595) 17.655 12.652 ( 0.595 7.657 4.781) 9.046 13.311 ( -7.654 -15.946 -1.919) 17.792 14.402 ( -5.960 1.745 -0.927) 6.279 14.491 ( -1.435 -1.662 2.893) 3.632 15.315 ( 5.424 9.507 1.798) 11.092 15.857 ( 7.614 -5.604 -5.201) 10.790 17.171 ( 1.472 6.274 -1.957) 6.735 17.401 ( -0.358 1.049 -2.799) 3.011 17.521 ( -0.875 2.784 -0.443) 2.951 17.656 ( 4.497 4.465 -6.820) 9.310 ======================= Grid point 119 (66/116) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 1.566 7.812 -3.269) 8.612 1.011 ( 1.153 0.492 1.703) 2.114 1.184 ( 5.209 0.471 2.414) 5.761 1.250 ( 5.043 -5.348 3.099) 7.977 1.756 ( -4.950 7.777 -5.618) 10.796 1.806 ( -6.288 4.205 0.163) 7.566 1.950 ( -7.771 0.048 0.686) 7.802 2.016 ( -1.620 -6.224 -4.701) 7.966 2.204 ( 1.174 5.828 -2.147) 6.321 2.290 ( 4.322 -0.834 -2.711) 5.170 2.406 ( -0.645 6.781 2.428) 7.231 2.523 ( 3.243 -4.719 0.418) 5.741 2.555 ( 0.743 6.112 -3.343) 7.006 2.714 ( 1.502 -7.352 -6.092) 9.665 2.798 ( 1.875 3.525 -9.592) 10.390 2.879 ( 2.622 -5.747 -8.043) 10.227 3.140 ( 4.305 3.056 -8.129) 9.693 3.206 ( 1.133 -2.877 -5.775) 6.550 3.723 ( -2.587 7.802 3.495) 8.932 3.785 ( -3.768 7.182 0.639) 8.136 3.816 ( -2.559 -1.671 -0.834) 3.168 3.917 ( 0.114 2.768 -0.075) 2.771 3.970 ( -0.075 -7.410 4.444) 8.641 4.038 ( 5.407 -6.095 3.800) 8.991 4.291 ( 0.228 5.998 1.080) 6.099 4.429 ( 1.733 -7.528 1.111) 7.804 5.198 ( 1.403 3.815 10.798) 11.538 5.264 ( 0.175 -3.316 9.443) 10.010 5.381 ( -4.052 4.986 6.611) 9.218 5.465 ( -5.793 -2.732 4.463) 7.806 5.943 ( 1.981 3.135 -8.966) 9.703 6.025 ( 3.519 -4.648 -8.618) 10.404 7.458 ( -6.654 0.958 19.255) 20.395 7.495 ( -5.213 -2.511 19.647) 20.482 7.778 ( 0.410 3.153 5.129) 6.035 7.857 ( -7.045 -4.427 7.243) 11.031 8.405 ( 7.491 3.374 -3.433) 8.904 8.494 ( 5.907 -5.169 -3.079) 8.432 8.796 ( 0.458 3.999 -10.034) 10.811 8.926 ( -4.205 -9.465 -6.926) 12.459 9.533 ( 9.236 4.735 -7.119) 12.586 9.649 ( 10.098 -6.852 -7.414) 14.279 10.216 ( -17.112 5.661 16.254) 24.271 10.334 ( -20.196 -6.466 12.583) 24.658 12.859 ( 2.663 9.696 1.860) 10.226 13.055 ( 4.009 -10.928 0.689) 11.660 14.346 ( -4.294 2.758 -0.794) 5.164 14.399 ( -3.930 -2.626 -0.968) 4.825 15.620 ( 5.204 10.522 0.253) 11.741 15.809 ( 5.069 -8.902 -3.020) 10.680 17.274 ( -1.785 4.517 0.141) 4.859 17.351 ( -1.483 -3.316 -0.842) 3.728 17.594 ( 0.139 6.512 -3.496) 7.392 17.697 ( 0.968 -3.426 -7.426) 8.235 ======================= Grid point 120 (67/116) ======================= q-point: ( 0.14 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 11.816 7.381 -1.694) 14.034 1.135 ( 9.416 0.158 4.523) 10.447 1.348 ( 9.407 0.596 0.941) 9.473 1.403 ( 8.264 -4.546 2.463) 9.748 1.608 ( -5.871 6.469 -3.374) 9.365 1.717 ( -3.633 -3.032 -6.254) 7.843 1.886 ( 0.515 6.936 2.344) 7.339 1.993 ( 1.148 -2.988 -2.397) 3.999 2.228 ( 2.169 2.485 -2.195) 3.962 2.298 ( -0.749 -3.643 1.134) 3.888 2.471 ( 3.247 7.257 0.181) 7.953 2.521 ( 1.066 6.584 -3.848) 7.700 2.591 ( 2.837 -2.615 -4.936) 6.265 2.707 ( 0.095 -5.690 -4.807) 7.449 2.811 ( 2.964 2.806 -9.863) 10.674 2.894 ( 1.690 -5.380 -9.180) 10.773 3.171 ( -0.388 0.382 -7.469) 7.489 3.184 ( 0.367 -0.523 -6.647) 6.678 3.630 ( -6.567 3.242 1.079) 7.403 3.659 ( -4.043 -0.555 -2.350) 4.709 3.779 ( -3.853 4.658 4.734) 7.679 3.909 ( -1.775 -7.279 5.031) 9.024 4.043 ( 3.757 4.705 3.263) 6.848 4.134 ( 2.824 -3.402 2.066) 4.880 4.285 ( -1.552 6.980 2.362) 7.530 4.441 ( -0.797 -7.949 -0.037) 7.989 5.206 ( -4.177 2.683 11.806) 12.807 5.261 ( -3.584 -3.133 9.392) 10.530 5.436 ( 5.795 5.237 5.183) 9.374 5.514 ( 9.007 -2.351 0.914) 9.353 5.956 ( 3.062 5.307 -9.872) 11.618 6.070 ( 4.222 -5.634 -7.947) 10.617 7.324 ( -12.884 2.987 21.640) 25.362 7.410 ( -11.058 -5.278 18.926) 22.546 7.781 ( -2.267 2.335 3.013) 4.435 7.821 ( 0.635 -1.880 4.861) 5.250 8.548 ( 8.823 3.903 -8.427) 12.810 8.650 ( 10.408 -6.289 -6.044) 13.580 8.736 ( -6.678 1.575 0.005) 6.861 8.798 ( -5.392 -5.363 -2.718) 8.076 9.657 ( 6.191 4.539 -9.509) 12.221 9.724 ( -3.252 -2.518 -1.946) 4.550 9.963 ( -12.667 1.292 15.407) 19.988 10.035 ( -10.294 -5.478 9.455) 15.012 12.912 ( 1.691 12.491 2.398) 12.831 13.157 ( 5.041 -13.238 1.462) 14.241 14.286 ( -1.830 2.199 1.136) 3.078 14.340 ( -1.308 -3.338 0.392) 3.607 15.693 ( 2.027 10.447 -1.610) 10.763 15.866 ( 2.018 -7.212 -4.888) 8.943 17.219 ( -3.357 5.223 -0.679) 6.246 17.314 ( -1.703 -4.534 -1.512) 5.074 17.583 ( 0.006 5.466 -1.842) 5.768 17.667 ( -1.159 -2.962 -4.693) 5.670 ======================= Grid point 121 (68/116) ======================= q-point: ( 0.29 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 12.501 7.170 -3.213) 14.765 1.342 ( 6.230 3.558 6.097) 9.415 1.438 ( 0.300 2.326 -6.833) 7.225 1.496 ( 3.047 -5.261 -4.011) 7.283 1.619 ( 6.038 0.116 3.144) 6.808 1.666 ( 0.816 -3.360 -1.482) 3.762 1.949 ( 5.742 7.402 1.068) 9.428 2.059 ( 6.919 -2.161 -4.238) 8.397 2.254 ( 0.857 3.529 2.856) 4.620 2.337 ( 3.221 -2.796 -0.090) 4.266 2.446 ( -0.892 6.826 -3.812) 7.869 2.585 ( 1.459 -5.925 -4.986) 7.880 2.622 ( 3.566 5.479 -7.080) 9.637 2.698 ( 2.225 -1.144 -5.297) 5.858 2.815 ( 0.350 0.068 -8.008) 8.016 2.871 ( 0.212 -5.695 -7.236) 9.211 3.089 ( -3.195 3.634 -4.319) 6.486 3.157 ( -1.604 -3.264 -5.362) 6.479 3.538 ( -1.935 5.701 -3.862) 7.152 3.608 ( -1.480 -2.140 -2.122) 3.357 3.704 ( -5.251 5.125 3.450) 8.108 3.853 ( -5.871 -9.659 3.628) 11.871 4.132 ( 3.510 3.626 4.960) 7.076 4.168 ( 0.132 2.051 1.007) 2.289 4.261 ( -1.959 4.070 5.978) 7.492 4.405 ( -2.461 -7.827 -0.275) 8.209 5.178 ( -2.802 1.873 9.561) 10.138 5.232 ( -2.624 -3.742 7.717) 8.969 5.589 ( 6.570 8.203 5.336) 11.787 5.711 ( 9.136 -4.111 1.342) 10.108 5.988 ( 4.336 6.364 -9.678) 12.368 6.119 ( 3.823 -6.438 -7.390) 10.520 7.173 ( -10.180 3.228 18.243) 21.139 7.261 ( -10.930 -5.375 18.160) 21.866 7.781 ( 1.452 4.363 2.028) 5.025 7.855 ( 1.245 -3.363 6.327) 7.273 8.472 ( -15.420 5.596 8.883) 18.654 8.587 ( -11.319 -5.798 4.761) 13.579 8.729 ( 8.134 7.957 -9.437) 14.783 8.908 ( 12.577 -9.546 -11.159) 19.335 9.572 ( -7.764 2.982 2.751) 8.760 9.666 ( -3.633 -6.624 1.742) 7.753 9.905 ( 3.504 5.558 1.989) 6.864 10.029 ( 3.447 -7.084 0.001) 7.878 12.937 ( -0.377 14.365 3.550) 14.802 13.232 ( 1.757 -16.618 1.913) 16.819 14.289 ( 1.002 3.251 4.952) 6.008 14.364 ( 2.469 -4.641 4.722) 7.066 15.677 ( -1.881 11.037 -6.242) 12.818 15.839 ( -2.052 -5.467 -8.411) 10.239 17.168 ( -0.969 6.141 -1.197) 6.331 17.281 ( -0.798 -5.589 -2.283) 6.090 17.577 ( -0.546 3.431 0.294) 3.486 17.628 ( -1.578 -2.143 -1.171) 2.908 ======================= Grid point 122 (69/116) ======================= q-point: ( 0.43 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -6.619 8.137 -7.030) 12.627 1.387 ( -3.594 -3.249 -9.952) 11.069 1.558 ( 11.415 2.627 -1.387) 11.795 1.624 ( 7.065 -2.074 2.532) 7.787 1.676 ( -0.369 2.665 3.282) 4.244 1.725 ( 4.097 -2.224 1.624) 4.937 2.109 ( 8.628 5.814 -1.095) 10.462 2.183 ( 6.333 -0.601 -7.605) 9.915 2.281 ( 0.034 5.204 3.099) 6.057 2.352 ( -1.112 0.642 0.983) 1.617 2.448 ( 1.087 -0.117 -3.392) 3.564 2.551 ( -1.500 -7.465 -8.812) 11.646 2.616 ( -0.984 5.821 -5.253) 7.902 2.729 ( 0.860 -5.238 -3.764) 6.508 2.811 ( 4.518 2.582 -5.148) 7.320 2.880 ( 2.628 -3.648 -4.906) 6.654 3.054 ( 1.482 2.853 -4.349) 5.408 3.096 ( -2.271 -1.269 -3.536) 4.389 3.489 ( -3.550 10.605 -4.331) 11.993 3.574 ( 0.327 1.455 -4.359) 4.607 3.635 ( -2.284 -0.902 1.853) 3.076 3.736 ( -5.868 -10.666 1.023) 12.216 4.152 ( -1.414 4.137 2.884) 5.237 4.199 ( 0.470 -0.306 5.116) 5.147 4.261 ( -1.025 2.523 6.255) 6.822 4.362 ( -1.702 -6.249 0.531) 6.499 5.169 ( -1.800 1.374 7.909) 8.227 5.217 ( -2.041 -3.602 7.371) 8.454 5.693 ( 1.568 9.281 5.763) 11.037 5.823 ( 1.673 -3.244 1.212) 3.846 6.051 ( 4.987 3.309 -7.552) 9.636 6.151 ( 1.987 -6.087 -6.838) 9.368 7.090 ( -4.519 2.299 14.229) 15.105 7.151 ( -6.845 -3.815 16.223) 18.017 7.861 ( 5.775 5.078 2.686) 8.146 7.917 ( -0.320 -0.197 15.505) 15.510 8.261 ( -7.241 2.756 5.950) 9.769 8.370 ( -11.846 -8.313 6.645) 15.924 8.822 ( 4.521 12.893 -7.452) 15.563 9.054 ( 7.511 -10.238 -14.700) 19.425 9.468 ( -5.245 3.542 1.395) 6.481 9.594 ( -5.060 -9.611 5.325) 12.097 10.047 ( 10.069 3.429 -2.132) 10.848 10.133 ( 8.625 -5.194 -2.581) 10.393 12.927 ( -2.294 14.304 4.965) 15.313 13.241 ( -1.621 -18.661 2.395) 18.883 14.357 ( 2.941 4.399 8.598) 10.095 14.449 ( 3.189 -5.313 7.856) 10.006 15.592 ( -3.074 11.267 -9.865) 15.288 15.741 ( -3.364 -3.939 -11.182) 12.324 17.180 ( 2.545 5.062 -1.642) 5.899 17.270 ( 1.066 -4.450 -3.622) 5.836 17.560 ( -1.526 2.478 1.665) 3.353 17.601 ( -1.164 -2.112 1.111) 2.655 ======================= Grid point 123 (70/116) ======================= q-point: (-0.43 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -6.654 9.674 -8.705) 14.617 1.257 ( -4.683 -6.849 -12.153) 14.715 1.613 ( -6.072 5.580 5.129) 9.711 1.684 ( -2.866 -1.652 3.931) 5.138 1.768 ( 8.335 2.419 -1.527) 8.812 1.830 ( 6.324 -3.319 -2.238) 7.484 2.148 ( -2.671 6.014 -4.397) 7.914 2.183 ( -4.951 2.588 -1.352) 5.748 2.279 ( -0.949 3.686 -3.266) 5.015 2.381 ( 5.336 -1.041 1.247) 5.578 2.430 ( -2.210 -1.921 -2.951) 4.157 2.476 ( -1.880 -4.059 -4.429) 6.295 2.616 ( 2.348 4.361 -3.418) 6.018 2.722 ( -1.023 -6.705 -3.926) 7.837 2.854 ( -0.172 4.543 -2.336) 5.112 2.922 ( 2.873 -1.568 -5.217) 6.159 3.085 ( 4.375 0.416 -5.630) 7.142 3.106 ( 4.078 -1.203 -4.229) 5.997 3.388 ( -2.934 12.941 -0.343) 13.274 3.568 ( -3.086 0.557 1.060) 3.310 3.620 ( 4.134 -2.327 -6.216) 7.820 3.711 ( 2.954 -8.769 -0.671) 9.278 4.150 ( -0.405 2.807 3.790) 4.733 4.201 ( -1.112 -2.317 3.460) 4.310 4.252 ( -2.258 3.005 4.627) 5.961 4.337 ( -1.879 -4.906 2.361) 5.760 5.160 ( -2.403 1.792 6.964) 7.581 5.211 ( -1.937 -3.347 9.145) 9.929 5.700 ( -3.003 8.349 7.139) 11.388 5.815 ( -2.496 -2.860 1.980) 4.281 6.075 ( 0.055 0.698 -7.636) 7.668 6.131 ( -1.645 -4.906 -6.342) 8.185 7.122 ( 2.754 0.410 11.044) 11.389 7.141 ( 0.089 -1.425 13.421) 13.497 7.909 ( -5.870 6.701 19.785) 21.698 8.000 ( 2.211 -0.023 14.343) 14.512 8.200 ( -3.128 -0.391 3.332) 4.587 8.294 ( 4.249 -7.835 -1.120) 8.983 8.864 ( 2.923 14.516 -4.892) 15.594 9.115 ( 5.993 -10.127 -15.647) 19.578 9.347 ( -6.001 3.721 -6.467) 9.575 9.492 ( -6.699 -12.408 0.066) 14.101 10.242 ( 9.334 4.848 3.173) 10.986 10.348 ( 12.807 -6.089 0.344) 14.185 12.888 ( -3.763 13.330 5.522) 14.911 13.193 ( -4.201 -18.961 2.704) 19.608 14.447 ( 2.197 3.833 9.105) 10.120 14.521 ( 0.673 -4.004 7.351) 8.398 15.503 ( -1.687 11.240 -9.901) 15.074 15.655 ( -0.399 -4.284 -11.256) 12.050 17.229 ( 2.792 4.349 -2.619) 5.794 17.306 ( 4.333 -3.451 -4.942) 7.424 17.543 ( -0.645 2.788 2.319) 3.684 17.591 ( -0.301 -2.163 1.651) 2.738 ======================= Grid point 124 (71/116) ======================= q-point: (-0.29 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -3.017 10.296 -7.923) 13.337 1.136 ( -2.528 -7.799 -11.762) 14.337 1.440 ( -13.709 5.196 6.219) 15.925 1.526 ( -14.371 -3.696 5.879) 15.961 1.875 ( 3.107 5.839 -8.288) 10.604 1.943 ( 6.925 -0.859 -3.578) 7.842 2.073 ( -1.881 2.278 -5.972) 6.663 2.096 ( -2.626 1.974 2.662) 4.228 2.228 ( -2.957 3.208 -1.332) 4.562 2.349 ( -5.152 -4.702 2.479) 7.402 2.445 ( -0.872 2.588 -0.387) 2.759 2.480 ( 1.375 -1.179 3.003) 3.506 2.598 ( -3.499 2.940 -5.409) 7.082 2.672 ( 1.255 -2.200 -9.092) 9.438 2.832 ( -0.321 3.393 -3.394) 4.810 2.925 ( -0.347 -6.255 -5.090) 8.072 3.099 ( -0.350 5.196 -5.677) 7.704 3.176 ( 3.802 -2.511 -5.095) 6.835 3.469 ( 9.889 9.551 0.955) 13.782 3.572 ( 4.709 0.559 0.002) 4.742 3.698 ( 5.170 -0.275 -3.211) 6.093 3.793 ( 5.013 -7.614 -0.165) 9.118 4.120 ( -5.100 3.688 3.289) 7.101 4.185 ( -2.264 -2.319 -0.319) 3.256 4.240 ( 0.125 1.701 3.389) 3.794 4.320 ( -0.007 -5.946 4.402) 7.399 5.134 ( -2.714 3.374 7.673) 8.810 5.211 ( -2.011 -4.225 10.609) 11.595 5.637 ( -6.877 7.403 8.503) 13.206 5.744 ( -6.305 -2.794 4.049) 7.997 6.025 ( -0.903 -1.198 -8.610) 8.740 6.045 ( -3.553 -3.076 -7.392) 8.760 7.247 ( 5.417 0.401 11.089) 12.348 7.266 ( 6.983 -1.558 10.367) 12.596 7.871 ( -5.712 6.052 17.797) 19.647 8.007 ( -6.036 -7.466 18.859) 21.162 8.247 ( 4.494 6.443 0.164) 7.857 8.373 ( 2.952 -6.072 0.923) 6.814 8.887 ( -0.146 13.341 -2.865) 13.646 9.165 ( -0.453 -13.258 -10.158) 16.709 9.242 ( 5.257 3.844 -17.132) 18.329 9.384 ( -0.554 -11.448 -7.570) 13.735 10.399 ( 3.504 8.077 8.643) 12.337 10.562 ( 6.473 -9.159 5.923) 12.683 12.834 ( -3.319 11.789 4.375) 13.005 13.107 ( -5.305 -17.114 1.925) 18.021 14.495 ( -0.566 1.625 6.016) 6.257 14.520 ( -3.019 -0.848 3.566) 4.749 15.468 ( 1.681 11.414 -6.360) 13.174 15.649 ( 3.474 -7.045 -8.086) 11.273 17.265 ( 2.031 5.716 -2.612) 6.604 17.364 ( 2.489 -4.229 -3.631) 6.105 17.565 ( 2.052 3.135 0.263) 3.756 17.612 ( 2.577 -1.413 -0.687) 3.019 ======================= Grid point 125 (72/116) ======================= q-point: (-0.14 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 1.990 9.062 -5.878) 10.984 1.069 ( -2.031 -4.404 -7.631) 9.042 1.199 ( -9.969 2.691 5.001) 11.473 1.273 ( -10.945 -4.277 6.159) 13.267 1.833 ( -2.636 9.667 -6.070) 11.715 1.966 ( -5.794 -1.581 -4.711) 7.633 2.058 ( -2.971 1.699 1.303) 3.662 2.073 ( 1.815 0.024 -1.175) 2.162 2.208 ( -0.714 1.728 -0.909) 2.079 2.229 ( -3.053 2.136 -0.496) 3.759 2.443 ( -1.348 -1.220 2.123) 2.795 2.454 ( 0.867 -0.830 -3.760) 3.947 2.555 ( 0.143 5.497 -0.616) 5.533 2.693 ( 3.289 -3.964 -7.749) 9.304 2.812 ( 0.275 2.016 -7.056) 7.343 2.885 ( -0.717 -7.576 -5.406) 9.335 3.097 ( 2.725 6.276 -6.731) 9.598 3.200 ( 1.473 -4.004 -4.984) 6.561 3.659 ( 6.761 12.236 4.199) 14.597 3.724 ( 9.546 3.844 -5.554) 11.694 3.785 ( 4.381 -1.413 1.228) 4.764 3.893 ( 5.314 -7.397 1.430) 9.219 3.998 ( -8.034 1.784 3.806) 9.068 4.087 ( -6.864 -5.462 -1.006) 8.829 4.269 ( 1.247 3.719 2.164) 4.480 4.373 ( 2.852 -6.537 3.314) 7.864 5.136 ( 0.041 4.173 8.454) 9.428 5.222 ( -0.670 -4.344 10.099) 11.014 5.503 ( -9.676 6.411 8.675) 14.491 5.607 ( -9.498 -3.105 6.501) 11.922 5.961 ( -0.676 0.539 -8.666) 8.709 6.007 ( 1.826 -3.542 -9.062) 9.899 7.397 ( 4.390 1.095 12.238) 13.048 7.438 ( 4.716 -3.156 13.768) 14.892 7.810 ( -6.628 6.318 13.672) 16.455 7.956 ( -6.319 -8.363 13.325) 16.953 8.313 ( 2.560 6.019 2.112) 6.873 8.425 ( 2.749 -5.399 -0.346) 6.068 8.838 ( -1.318 8.855 -8.615) 12.425 9.040 ( -4.437 -10.278 -11.867) 16.314 9.376 ( 9.762 -0.275 -7.993) 12.620 9.463 ( 11.353 -7.122 -11.582) 17.714 10.408 ( -7.551 8.736 13.140) 17.492 10.585 ( -8.425 -10.002 10.540) 16.796 12.815 ( 0.343 9.802 2.489) 10.119 13.032 ( -2.048 -13.087 0.717) 13.265 14.443 ( -5.065 2.070 0.144) 5.474 14.472 ( -3.218 -1.009 1.503) 3.692 15.519 ( 4.880 11.126 -1.884) 12.294 15.715 ( 5.528 -9.153 -4.309) 11.528 17.285 ( 0.634 5.460 -0.938) 5.576 17.373 ( -0.287 -3.519 -1.105) 3.699 17.594 ( 1.183 4.893 -2.288) 5.529 17.674 ( 4.089 -2.439 -6.026) 7.680 ======================= Grid point 147 (73/116) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -12.163 0.000 8.044) 14.582 0.970 ( 2.896 0.000 7.960) 8.471 1.332 ( 5.873 0.000 9.626) 11.276 1.452 ( -1.702 0.000 0.781) 1.873 1.571 ( 3.249 0.000 0.101) 3.250 1.596 ( 8.421 0.000 -5.605) 10.116 1.770 ( -6.705 0.000 6.861) 9.594 1.843 ( -5.584 0.000 4.397) 7.107 2.080 ( -0.686 0.000 -10.987) 11.008 2.146 ( -4.277 0.000 -3.293) 5.397 2.163 ( 5.404 0.000 -7.406) 9.168 2.264 ( 2.330 0.000 -5.146) 5.649 2.511 ( 2.121 0.000 -0.991) 2.341 2.643 ( 3.408 0.000 -8.013) 8.707 2.786 ( -0.703 0.000 -4.644) 4.697 2.952 ( 7.366 0.000 -5.775) 9.360 3.012 ( 4.824 0.000 2.154) 5.283 3.130 ( -4.818 0.000 -7.835) 9.198 3.489 ( 0.063 0.000 8.598) 8.598 3.643 ( -2.382 0.000 5.709) 6.186 3.814 ( -0.688 0.000 -4.471) 4.523 3.924 ( 2.403 0.000 -6.082) 6.540 3.961 ( -5.966 0.000 5.906) 8.395 4.192 ( 5.674 0.000 -4.237) 7.081 4.541 ( -0.705 0.000 5.767) 5.810 4.635 ( 0.491 0.000 1.330) 1.418 5.262 ( -1.018 0.000 7.713) 7.780 5.272 ( 0.299 0.000 3.157) 3.171 5.417 ( 0.304 0.000 3.122) 3.137 5.561 ( -8.215 0.000 -2.916) 8.718 5.978 ( 1.461 0.000 4.706) 4.927 6.116 ( -0.497 0.000 0.712) 0.868 7.648 ( -11.218 0.000 -1.181) 11.280 7.722 ( 9.065 0.000 -1.349) 9.165 7.751 ( 3.724 0.000 10.920) 11.537 8.213 ( -16.435 0.000 14.704) 22.052 8.381 ( -5.115 0.000 -17.506) 18.238 8.532 ( 11.093 0.000 -4.830) 12.099 8.779 ( 1.092 0.000 1.126) 1.569 8.872 ( 19.869 0.000 1.442) 19.921 9.929 ( -9.992 0.000 1.606) 10.121 9.942 ( 6.603 0.000 -0.176) 6.606 10.351 ( 9.016 0.000 6.426) 11.072 10.506 ( -37.367 0.000 -2.705) 37.465 12.661 ( -7.241 0.000 16.467) 17.989 13.377 ( 9.693 0.000 -11.901) 15.349 14.335 ( -2.541 0.000 1.193) 2.807 14.466 ( -1.899 0.000 -4.748) 5.114 15.565 ( 9.770 0.000 4.869) 10.916 15.787 ( -9.542 0.000 -6.126) 11.339 17.102 ( -3.680 0.000 2.857) 4.659 17.196 ( 12.783 0.000 -1.720) 12.899 17.392 ( -3.327 0.000 0.790) 3.419 17.488 ( -0.464 0.000 -3.719) 3.747 ======================= Grid point 148 (74/116) ======================= q-point: ( 0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 6.212 0.000 6.816) 9.223 1.129 ( 8.198 0.000 11.344) 13.996 1.402 ( -2.307 0.000 -4.789) 5.316 1.441 ( 1.127 0.000 8.008) 8.087 1.666 ( 5.264 0.000 -4.462) 6.900 1.694 ( 2.914 0.000 -2.709) 3.979 1.760 ( 1.624 0.000 10.343) 10.470 1.817 ( 2.858 0.000 -1.476) 3.217 2.055 ( 3.550 0.000 -8.879) 9.562 2.060 ( -3.622 0.000 0.206) 3.628 2.301 ( 2.697 0.000 -0.174) 2.703 2.321 ( 12.887 0.000 -6.221) 14.310 2.524 ( -0.140 0.000 -3.030) 3.033 2.666 ( 2.321 0.000 -10.440) 10.695 2.750 ( -0.634 0.000 -4.780) 4.822 3.012 ( -2.369 0.000 -11.518) 11.759 3.038 ( 3.484 0.000 -5.500) 6.510 3.046 ( -1.875 0.000 1.420) 2.352 3.510 ( -0.547 0.000 9.731) 9.746 3.577 ( -8.533 0.000 5.245) 10.016 3.728 ( -5.655 0.000 -5.954) 8.211 3.955 ( 2.879 0.000 -4.942) 5.720 3.956 ( 3.533 0.000 6.231) 7.163 4.268 ( 2.567 0.000 -2.265) 3.423 4.518 ( -3.540 0.000 5.266) 6.346 4.612 ( -3.176 0.000 0.175) 3.181 5.273 ( 1.582 0.000 -0.454) 1.646 5.295 ( 1.514 0.000 9.093) 9.218 5.459 ( -2.083 0.000 1.742) 2.715 5.571 ( 10.884 0.000 5.216) 12.069 6.009 ( 0.742 0.000 1.027) 1.267 6.085 ( -3.135 0.000 1.745) 3.588 7.423 ( -10.785 0.000 -1.374) 10.872 7.815 ( -1.639 0.000 11.281) 11.399 7.818 ( -6.879 0.000 8.019) 10.565 7.937 ( -8.314 0.000 8.054) 11.575 8.265 ( 0.062 0.000 -18.709) 18.709 8.724 ( 8.355 0.000 -6.415) 10.534 8.803 ( 2.189 0.000 -7.500) 7.813 9.241 ( 16.395 0.000 0.023) 16.395 9.515 ( -35.269 0.000 8.814) 36.354 9.973 ( -10.511 0.000 7.903) 13.151 10.047 ( 3.383 0.000 3.675) 4.995 10.494 ( 0.737 0.000 12.454) 12.476 12.645 ( -0.482 0.000 15.341) 15.349 13.605 ( 17.093 0.000 -12.930) 21.433 14.308 ( -1.149 0.000 3.841) 4.009 14.445 ( 1.236 0.000 -2.971) 3.218 15.526 ( -13.976 0.000 -5.288) 14.943 15.695 ( 0.723 0.000 4.062) 4.126 16.996 ( -6.082 0.000 -0.320) 6.090 17.331 ( 1.875 0.000 -6.095) 6.377 17.384 ( 1.176 0.000 3.098) 3.314 17.534 ( 6.583 0.000 -3.127) 7.288 ======================= Grid point 149 (75/116) ======================= q-point: ( 0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 12.057 0.000 1.197) 12.116 1.290 ( 1.607 0.000 5.683) 5.906 1.398 ( 7.056 0.000 -4.016) 8.119 1.414 ( -7.820 0.000 11.108) 13.585 1.700 ( 1.176 0.000 -4.586) 4.735 1.733 ( 3.385 0.000 -3.651) 4.979 1.824 ( -0.989 0.000 8.586) 8.642 1.890 ( 3.560 0.000 -0.264) 3.570 2.025 ( 0.593 0.000 0.030) 0.594 2.177 ( 10.481 0.000 -3.978) 11.211 2.371 ( 3.861 0.000 0.914) 3.967 2.473 ( -1.947 0.000 -1.748) 2.616 2.579 ( 12.450 0.000 -4.198) 13.139 2.645 ( 0.375 0.000 -12.769) 12.775 2.736 ( 1.395 0.000 -6.032) 6.191 2.982 ( 4.732 0.000 -13.370) 14.183 2.994 ( -2.764 0.000 1.301) 3.055 3.045 ( -0.872 0.000 -2.628) 2.769 3.368 ( -14.891 0.000 7.697) 16.763 3.557 ( 2.244 0.000 6.468) 6.846 3.567 ( -7.942 0.000 -8.149) 11.379 3.983 ( 1.338 0.000 -4.240) 4.446 4.087 ( 6.275 0.000 4.778) 7.887 4.267 ( -1.860 0.000 1.384) 2.318 4.458 ( -4.299 0.000 4.710) 6.377 4.529 ( -4.707 0.000 -0.572) 4.742 5.359 ( 7.570 0.000 -2.925) 8.115 5.390 ( 3.981 0.000 8.304) 9.209 5.463 ( -0.621 0.000 9.132) 9.153 5.780 ( 5.938 0.000 5.243) 7.922 6.024 ( -2.584 0.000 1.241) 2.867 6.033 ( 3.339 0.000 -5.151) 6.138 7.258 ( -4.703 0.000 -2.054) 5.132 7.536 ( -17.957 0.000 11.607) 21.381 7.786 ( -5.398 0.000 10.786) 12.062 8.009 ( 7.709 0.000 -0.428) 7.721 8.227 ( 2.826 0.000 -17.522) 17.748 8.579 ( -24.994 0.000 11.785) 27.633 8.806 ( 1.899 0.000 -9.842) 10.023 9.021 ( -9.720 0.000 -3.662) 10.387 9.632 ( 20.089 0.000 5.685) 20.878 9.960 ( 3.382 0.000 5.552) 6.501 10.083 ( -2.830 0.000 8.917) 9.355 10.476 ( -6.263 0.000 10.676) 12.377 12.746 ( 3.299 0.000 17.789) 18.093 13.882 ( 16.363 0.000 -18.060) 24.370 14.334 ( 2.047 0.000 9.584) 9.800 14.491 ( 4.413 0.000 -1.410) 4.632 15.234 ( -13.762 0.000 -4.964) 14.629 15.595 ( -11.615 0.000 0.354) 11.621 16.928 ( -0.330 0.000 -0.293) 0.441 17.300 ( -1.240 0.000 -7.419) 7.522 17.436 ( 2.366 0.000 4.147) 4.775 17.631 ( 3.729 0.000 -3.483) 5.102 ======================= Grid point 150 (76/116) ======================= q-point: (-0.57 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -12.808 0.000 10.590) 16.619 1.291 ( -0.689 0.000 -3.885) 3.946 1.315 ( 3.822 0.000 -2.456) 4.543 1.559 ( 5.948 0.000 7.703) 9.732 1.729 ( 5.134 0.000 -7.840) 9.371 1.797 ( -2.639 0.000 4.981) 5.637 1.812 ( 4.760 0.000 -0.959) 4.856 1.933 ( 1.355 0.000 4.697) 4.889 2.095 ( 7.001 0.000 -4.640) 8.399 2.309 ( -0.012 0.000 -4.799) 4.799 2.412 ( -2.928 0.000 -3.031) 4.215 2.437 ( 4.607 0.000 0.234) 4.613 2.610 ( 1.934 0.000 -12.694) 12.841 2.698 ( 0.232 0.000 -4.087) 4.094 2.780 ( 3.723 0.000 -0.230) 3.730 2.987 ( -4.059 0.000 -0.926) 4.163 3.006 ( 4.017 0.000 0.582) 4.059 3.084 ( -16.511 0.000 7.429) 18.105 3.100 ( 10.408 0.000 -7.899) 13.066 3.376 ( -7.019 0.000 -9.102) 11.494 3.646 ( 4.364 0.000 4.057) 5.958 3.964 ( -1.241 0.000 -4.198) 4.377 4.202 ( 3.240 0.000 4.101) 5.226 4.232 ( -2.459 0.000 2.359) 3.408 4.406 ( -2.439 0.000 3.816) 4.529 4.450 ( -2.756 0.000 0.171) 2.761 5.427 ( -3.693 0.000 8.224) 9.015 5.512 ( 8.399 0.000 -2.976) 8.911 5.538 ( 4.223 0.000 10.946) 11.732 5.764 ( -7.396 0.000 5.539) 9.240 6.038 ( 1.852 0.000 -1.662) 2.488 6.102 ( 5.615 0.000 -8.411) 10.113 7.245 ( 4.137 0.000 -2.492) 4.830 7.292 ( -10.193 0.000 6.870) 12.292 7.707 ( -6.123 0.000 9.964) 11.695 8.184 ( -17.641 0.000 14.434) 22.793 8.192 ( 7.225 0.000 -1.166) 7.319 8.247 ( 10.183 0.000 -15.540) 18.579 8.806 ( 1.976 0.000 -9.302) 9.509 8.839 ( -9.790 0.000 -1.301) 9.876 9.989 ( -11.553 0.000 15.196) 19.089 10.065 ( 6.873 0.000 2.737) 7.398 10.087 ( 22.079 0.000 3.513) 22.356 10.379 ( -5.830 0.000 2.656) 6.407 12.869 ( 0.714 0.000 21.172) 21.184 14.024 ( 5.803 0.000 -23.530) 24.235 14.495 ( 8.686 0.000 13.335) 15.914 14.607 ( 7.964 0.000 0.068) 7.965 14.993 ( -7.263 0.000 -3.443) 8.038 15.302 ( -16.417 0.000 -3.988) 16.894 16.962 ( 2.811 0.000 1.180) 3.048 17.236 ( -2.388 0.000 -8.261) 8.599 17.497 ( 2.010 0.000 4.124) 4.588 17.651 ( 0.044 0.000 -2.988) 2.988 ======================= Grid point 151 (77/116) ======================= q-point: (-0.43 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -10.133 0.000 11.620) 15.417 1.222 ( -5.361 0.000 -1.166) 5.486 1.336 ( 0.135 0.000 -2.114) 2.118 1.622 ( -3.731 0.000 10.415) 11.063 1.757 ( 1.352 0.000 2.630) 2.957 1.814 ( -4.196 0.000 -1.410) 4.426 1.911 ( 12.393 0.000 -13.383) 18.239 2.038 ( 5.796 0.000 5.495) 7.986 2.168 ( -8.275 0.000 -4.392) 9.368 2.227 ( 7.284 0.000 -4.964) 8.814 2.328 ( -4.458 0.000 -3.625) 5.746 2.499 ( -1.380 0.000 -0.103) 1.384 2.623 ( 3.846 0.000 -9.946) 10.664 2.643 ( -3.753 0.000 -3.191) 4.926 2.758 ( -14.105 0.000 7.970) 16.201 2.845 ( 0.102 0.000 1.159) 1.163 2.846 ( -9.878 0.000 -2.160) 10.112 3.149 ( 8.198 0.000 -1.635) 8.359 3.187 ( 1.284 0.000 -7.209) 7.323 3.393 ( 12.066 0.000 -4.827) 12.995 3.728 ( 1.633 0.000 4.894) 5.160 3.926 ( -0.218 0.000 -5.999) 6.003 4.182 ( -3.663 0.000 2.919) 4.684 4.223 ( -2.289 0.000 3.792) 4.430 4.399 ( 0.256 0.000 2.818) 2.830 4.451 ( 2.341 0.000 1.988) 3.071 5.367 ( -4.848 0.000 6.454) 8.072 5.543 ( -9.127 0.000 9.373) 13.082 5.666 ( 4.502 0.000 10.411) 11.343 5.703 ( 3.307 0.000 -6.455) 7.253 6.025 ( -1.098 0.000 -3.292) 3.470 6.130 ( -0.524 0.000 -7.742) 7.760 7.216 ( 0.504 0.000 2.804) 2.849 7.347 ( 4.089 0.000 4.806) 6.310 7.712 ( 7.166 0.000 0.217) 7.169 8.014 ( -6.086 0.000 9.057) 10.912 8.243 ( 4.493 0.000 -9.345) 10.369 8.516 ( 15.695 0.000 -1.433) 15.760 8.647 ( -9.915 0.000 3.520) 10.521 8.804 ( 1.096 0.000 -8.898) 8.965 9.790 ( -13.578 0.000 14.504) 19.868 10.140 ( 1.090 0.000 4.276) 4.413 10.277 ( -4.907 0.000 -2.058) 5.321 10.559 ( 23.969 0.000 -2.718) 24.123 12.918 ( -4.605 0.000 23.039) 23.495 13.939 ( -4.525 0.000 -24.349) 24.766 14.573 ( -4.888 0.000 3.737) 6.153 14.797 ( 11.301 0.000 1.648) 11.420 14.981 ( -13.929 0.000 -6.720) 15.465 15.103 ( 18.168 0.000 5.134) 18.879 17.023 ( 2.540 0.000 2.289) 3.420 17.138 ( -4.451 0.000 -8.336) 9.450 17.538 ( 0.578 0.000 3.463) 3.511 17.623 ( -1.573 0.000 -2.343) 2.822 ======================= Grid point 152 (78/116) ======================= q-point: (-0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 1.831 0.000 11.226) 11.375 1.095 ( -7.439 0.000 2.289) 7.784 1.342 ( 0.987 0.000 1.964) 2.198 1.557 ( -5.382 0.000 7.326) 9.091 1.645 ( -13.190 0.000 0.253) 13.192 1.726 ( -6.832 0.000 -2.424) 7.249 1.981 ( 0.302 0.000 -0.824) 0.877 2.101 ( -4.031 0.000 1.030) 4.161 2.168 ( 8.979 0.000 -11.688) 14.739 2.211 ( -1.285 0.000 -2.664) 2.958 2.305 ( -1.656 0.000 -1.199) 2.044 2.343 ( -13.963 0.000 4.547) 14.684 2.511 ( -6.447 0.000 1.410) 6.599 2.643 ( -0.431 0.000 -11.088) 11.096 2.657 ( 3.667 0.000 -2.555) 4.469 2.715 ( 2.810 0.000 -6.054) 6.674 2.872 ( 0.953 0.000 1.193) 1.527 3.213 ( 3.100 0.000 -5.436) 6.258 3.296 ( 6.977 0.000 0.766) 7.019 3.620 ( 11.607 0.000 -4.090) 12.306 3.737 ( -2.667 0.000 6.043) 6.605 3.911 ( 0.923 0.000 -6.630) 6.694 4.129 ( -2.190 0.000 1.289) 2.541 4.170 ( -4.785 0.000 4.921) 6.864 4.434 ( 2.038 0.000 3.789) 4.302 4.523 ( 3.607 0.000 2.275) 4.264 5.304 ( -3.754 0.000 4.817) 6.107 5.376 ( -9.966 0.000 8.806) 13.299 5.666 ( -5.548 0.000 -4.632) 7.228 5.782 ( 2.907 0.000 10.514) 10.909 6.019 ( -7.125 0.000 -7.264) 10.175 6.039 ( 3.755 0.000 -3.065) 4.847 7.318 ( 8.940 0.000 -0.640) 8.963 7.447 ( 4.412 0.000 10.199) 11.112 7.925 ( 3.422 0.000 -0.765) 3.507 8.007 ( 12.348 0.000 -4.321) 13.082 8.308 ( 5.485 0.000 -8.861) 10.421 8.510 ( -5.642 0.000 7.744) 9.581 8.733 ( -0.805 0.000 11.452) 11.481 8.773 ( 1.880 0.000 -8.507) 8.712 9.661 ( -1.191 0.000 4.613) 4.764 10.140 ( -2.666 0.000 3.810) 4.650 10.186 ( -2.735 0.000 -2.997) 4.057 10.943 ( 16.385 0.000 -8.755) 18.577 12.874 ( -8.814 0.000 22.502) 24.166 13.680 ( -11.722 0.000 -22.888) 25.715 14.474 ( -4.943 0.000 0.510) 4.970 14.727 ( -9.478 0.000 -7.287) 11.956 15.047 ( 13.299 0.000 2.925) 13.617 15.543 ( 22.248 0.000 3.453) 22.514 17.012 ( -4.764 0.000 -5.700) 7.429 17.074 ( 1.677 0.000 3.206) 3.618 17.538 ( -1.943 0.000 2.347) 3.047 17.579 ( -1.952 0.000 -2.383) 3.080 ======================= Grid point 153 (79/116) ======================= q-point: (-0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -5.414 0.000 4.975) 7.352 1.133 ( 5.788 0.000 6.461) 8.674 1.272 ( -16.377 0.000 11.708) 20.132 1.466 ( 4.157 0.000 -3.161) 5.222 1.489 ( -3.672 0.000 4.132) 5.527 1.583 ( -4.547 0.000 -1.289) 4.726 1.929 ( -9.602 0.000 6.687) 11.701 1.966 ( -8.039 0.000 2.653) 8.465 2.137 ( -3.210 0.000 -5.609) 6.463 2.163 ( -2.286 0.000 -4.571) 5.111 2.240 ( -3.256 0.000 -4.474) 5.534 2.249 ( 3.196 0.000 -11.363) 11.804 2.471 ( 1.043 0.000 0.970) 1.424 2.614 ( 2.224 0.000 -8.060) 8.361 2.770 ( 6.087 0.000 -5.446) 8.168 2.817 ( 8.302 0.000 -6.034) 10.263 2.902 ( 2.847 0.000 2.973) 4.116 3.219 ( -1.077 0.000 -5.279) 5.388 3.417 ( 4.361 0.000 4.772) 6.464 3.688 ( -4.394 0.000 6.593) 7.923 3.779 ( 6.297 0.000 -5.129) 8.121 3.909 ( 1.575 0.000 -6.092) 6.293 4.075 ( -6.992 0.000 5.278) 8.760 4.123 ( 2.003 0.000 -1.821) 2.707 4.499 ( 2.363 0.000 5.313) 5.815 4.594 ( 2.725 0.000 1.962) 3.358 5.266 ( -3.877 0.000 6.703) 7.743 5.266 ( -2.115 0.000 5.420) 5.819 5.513 ( -7.737 0.000 -1.270) 7.841 5.761 ( -9.744 0.000 -0.518) 9.758 5.924 ( 1.496 0.000 3.019) 3.370 6.098 ( 2.445 0.000 -1.067) 2.667 7.522 ( 11.816 0.000 -2.385) 12.054 7.599 ( 6.643 0.000 10.294) 12.252 7.843 ( -7.735 0.000 -0.743) 7.771 8.326 ( 15.829 0.000 -7.481) 17.508 8.349 ( -0.301 0.000 -3.255) 3.269 8.543 ( 8.483 0.000 7.019) 11.010 8.593 ( -9.581 0.000 -8.496) 12.805 8.778 ( -4.325 0.000 15.320) 15.919 9.782 ( 10.313 0.000 -2.639) 10.645 10.068 ( -6.036 0.000 2.944) 6.716 10.187 ( 4.599 0.000 -0.500) 4.626 11.014 ( -7.985 0.000 -12.989) 15.247 12.767 ( -10.206 0.000 19.797) 22.273 13.396 ( -6.621 0.000 -16.331) 17.622 14.393 ( -3.632 0.000 -0.008) 3.632 14.557 ( -5.386 0.000 -6.449) 8.402 15.319 ( 13.131 0.000 4.154) 13.772 15.856 ( 7.177 0.000 -4.173) 8.302 16.988 ( 5.645 0.000 -0.414) 5.661 17.111 ( 0.504 0.000 3.919) 3.951 17.479 ( -4.677 0.000 0.936) 4.769 17.531 ( -1.949 0.000 -3.127) 3.684 ======================= Grid point 154 (80/116) ======================= q-point: ( 0.00 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -6.494 -4.049 8.914) 11.749 1.020 ( 1.213 1.269 3.020) 3.493 1.313 ( 3.856 -0.853 10.031) 10.781 1.484 ( 0.586 2.856 -0.345) 2.935 1.526 ( 2.757 -2.516 1.967) 4.219 1.702 ( 4.320 8.199 -4.729) 10.405 1.764 ( -7.251 0.230 5.108) 8.873 1.900 ( -5.192 4.241 3.405) 7.519 2.022 ( -1.708 -2.387 -7.704) 8.244 2.164 ( 5.130 -0.074 -5.558) 7.564 2.209 ( 1.324 4.140 -1.934) 4.757 2.311 ( -2.817 4.737 -7.211) 9.076 2.523 ( 2.283 1.078 -1.948) 3.189 2.620 ( 3.422 -1.409 -6.561) 7.532 2.814 ( 0.011 0.044 -4.676) 4.676 2.943 ( 6.791 0.215 -4.853) 8.350 2.992 ( 1.180 -3.130 -0.551) 3.390 3.137 ( -2.374 1.216 -6.014) 6.579 3.529 ( 1.473 4.126 8.112) 9.220 3.645 ( 0.524 0.168 3.303) 3.348 3.776 ( -1.803 -2.645 -4.425) 5.461 3.923 ( -1.098 -0.156 2.299) 2.552 3.978 ( -3.164 1.721 -2.062) 4.150 4.179 ( 4.635 -1.552 -3.701) 6.131 4.509 ( -0.815 -3.217 6.674) 7.453 4.631 ( 0.649 -1.036 0.661) 1.389 5.267 ( 2.938 1.439 6.031) 6.861 5.320 ( -1.781 4.000 5.072) 6.700 5.431 ( -0.974 1.413 2.734) 3.228 5.544 ( -7.922 -1.714 -2.568) 8.502 5.924 ( -1.181 -4.802 4.114) 6.433 6.090 ( 2.191 -3.027 -1.138) 3.906 7.675 ( -9.302 2.377 0.033) 9.601 7.725 ( 4.386 0.610 5.156) 6.797 7.760 ( 6.283 1.273 4.415) 7.784 8.208 ( -17.296 -2.556 15.947) 23.664 8.332 ( -1.945 -2.043 -14.153) 14.431 8.558 ( 6.398 1.263 -5.344) 8.432 8.703 ( 2.498 -6.246 1.128) 6.820 8.868 ( 19.570 -1.244 -3.400) 19.903 9.820 ( -12.171 -11.837 0.297) 16.981 9.832 ( 7.535 -8.289 -1.290) 11.276 10.382 ( 1.636 3.789 10.263) 11.062 10.566 ( -26.267 3.631 -0.075) 26.517 12.708 ( -5.917 4.448 13.888) 15.738 13.330 ( 8.301 -4.749 -10.174) 13.963 14.323 ( -1.945 -1.004 1.272) 2.532 14.449 ( -2.212 -1.580 -3.784) 4.659 15.520 ( 5.816 -2.150 6.717) 9.142 15.819 ( -3.396 1.369 -7.884) 8.693 17.122 ( -0.187 2.515 2.317) 3.425 17.242 ( 4.718 3.521 -3.419) 6.808 17.428 ( -1.363 3.339 0.465) 3.637 17.510 ( 0.060 2.195 -3.408) 4.054 ======================= Grid point 155 (81/116) ======================= q-point: ( 0.14 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 6.901 -1.921 5.756) 9.189 1.168 ( 9.373 2.691 7.544) 12.329 1.380 ( -0.298 -0.650 -0.491) 0.868 1.470 ( -0.914 2.310 5.343) 5.892 1.638 ( 6.216 -2.050 -2.030) 6.853 1.715 ( 0.153 -1.365 0.945) 1.667 1.747 ( 2.073 2.301 0.768) 3.191 1.869 ( 0.205 3.777 0.906) 3.889 2.034 ( 5.681 1.358 -3.690) 6.909 2.169 ( -2.945 7.574 -2.802) 8.596 2.280 ( 1.520 -1.434 -0.068) 2.090 2.320 ( 11.537 -0.074 -5.293) 12.694 2.535 ( -0.048 0.910 -3.959) 4.062 2.652 ( 2.704 -0.950 -8.335) 8.814 2.755 ( -2.518 -0.623 -5.013) 5.644 2.985 ( -0.064 -2.132 -2.107) 2.998 3.023 ( 1.409 -1.145 -9.753) 9.920 3.063 ( -2.092 0.885 -2.740) 3.559 3.555 ( -2.042 2.196 4.686) 5.563 3.606 ( -4.859 4.019 5.873) 8.617 3.727 ( -5.287 0.867 -3.239) 6.261 3.913 ( 3.064 -2.980 4.251) 6.028 3.982 ( 3.101 1.977 -4.553) 5.853 4.233 ( 1.739 -3.544 -1.845) 4.358 4.493 ( -3.319 -2.493 6.028) 7.319 4.609 ( -2.974 -1.015 -0.256) 3.153 5.303 ( 0.278 2.892 -0.988) 3.069 5.333 ( 1.707 3.788 9.068) 9.975 5.459 ( -0.546 0.165 2.151) 2.226 5.563 ( 10.234 -1.046 4.984) 11.432 5.885 ( -3.369 -8.261 1.037) 8.982 6.128 ( 1.845 0.493 -0.543) 1.985 7.466 ( -10.167 4.388 -0.978) 11.116 7.752 ( -8.198 -3.281 12.379) 15.206 7.864 ( -1.522 1.859 7.032) 7.431 7.945 ( -7.775 0.564 8.889) 11.822 8.254 ( 1.186 -0.894 -17.552) 17.615 8.720 ( 9.934 -2.184 -6.962) 12.326 8.745 ( 2.656 -3.922 -5.424) 7.202 9.232 ( 17.833 -2.271 -0.063) 17.978 9.401 ( -30.987 -8.317 5.003) 32.472 9.896 ( -1.552 -5.477 3.262) 6.561 10.163 ( -8.839 7.367 8.611) 14.372 10.468 ( -2.363 -2.473 13.615) 14.038 12.692 ( -0.660 4.707 13.144) 13.977 13.530 ( 14.640 -7.265 -10.872) 19.629 14.307 ( -0.646 0.086 4.076) 4.128 14.439 ( 2.564 -0.889 -2.452) 3.657 15.496 ( -9.747 -0.800 0.677) 9.804 15.749 ( -1.530 3.231 -4.074) 5.421 17.029 ( -6.093 3.298 -0.328) 6.936 17.323 ( 2.264 -0.220 -4.028) 4.626 17.425 ( 0.695 3.300 1.526) 3.702 17.553 ( 5.098 1.772 -3.211) 6.279 ======================= Grid point 156 (82/116) ======================= q-point: ( 0.29 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 9.761 -3.644 -0.737) 10.445 1.341 ( 1.025 3.510 2.253) 4.295 1.400 ( 5.241 0.202 3.705) 6.422 1.445 ( -2.113 2.975 5.526) 6.622 1.690 ( 1.744 -0.779 -3.571) 4.050 1.755 ( 3.227 1.520 -2.871) 4.579 1.783 ( -1.046 -1.613 5.939) 6.243 1.918 ( 4.794 2.183 -1.258) 5.415 2.128 ( -0.535 8.747 1.437) 8.880 2.179 ( 9.323 0.760 -3.371) 9.943 2.339 ( 4.366 -2.867 1.493) 5.432 2.483 ( -1.104 0.692 -2.666) 2.967 2.555 ( 10.450 -1.421 -6.262) 12.265 2.642 ( 0.024 -1.100 -9.876) 9.937 2.731 ( 2.500 -0.663 -3.720) 4.530 2.934 ( -2.610 -2.357 -7.867) 8.617 2.998 ( 1.215 -1.542 -1.846) 2.694 3.034 ( -0.893 -0.784 -5.620) 5.744 3.412 ( -13.090 3.663 6.890) 15.239 3.551 ( -5.806 0.083 -4.312) 7.232 3.636 ( -0.250 5.395 3.115) 6.235 3.963 ( 0.411 -2.032 -3.741) 4.277 4.079 ( 6.888 0.323 2.142) 7.220 4.247 ( 0.510 -2.749 1.674) 3.259 4.433 ( -4.872 -1.750 4.967) 7.174 4.529 ( -4.516 -0.762 -0.841) 4.657 5.339 ( 3.862 -1.567 -1.294) 4.364 5.434 ( 4.635 4.256 8.125) 10.277 5.488 ( -0.161 2.029 8.276) 8.523 5.731 ( 1.933 -5.794 1.943) 6.410 5.873 ( 5.445 -4.676 -1.182) 7.274 6.156 ( 1.810 3.312 -2.112) 4.325 7.312 ( -4.431 5.499 -1.400) 7.199 7.517 ( -16.238 -1.253 12.354) 20.442 7.785 ( -6.859 -0.258 10.443) 12.496 8.014 ( 7.435 0.029 -0.758) 7.473 8.236 ( 2.943 1.315 -16.017) 16.339 8.642 ( -22.550 5.700 11.115) 25.778 8.764 ( 1.484 -4.084 -7.567) 8.726 8.989 ( -6.016 -3.564 -4.077) 8.094 9.569 ( 17.790 -4.942 2.425) 18.622 9.906 ( 2.876 -5.268 4.628) 7.579 10.114 ( -4.078 2.099 10.498) 11.456 10.419 ( -6.798 -5.641 10.542) 13.754 12.775 ( 2.618 3.106 15.734) 16.250 13.751 ( 12.033 -11.907 -14.105) 22.034 14.348 ( 2.712 1.478 9.766) 10.242 14.525 ( 7.130 1.935 -1.771) 7.597 15.255 ( -13.212 3.047 -2.956) 13.878 15.628 ( -9.774 2.494 -5.015) 11.265 16.960 ( -0.439 3.305 -0.102) 3.336 17.300 ( -1.558 -0.108 -6.064) 6.262 17.467 ( 2.057 2.922 3.248) 4.829 17.627 ( 3.083 -0.323 -2.922) 4.260 ======================= Grid point 157 (83/116) ======================= q-point: (-0.57 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -10.734 -1.804 3.825) 11.537 1.217 ( 3.001 -3.510 -3.468) 5.776 1.419 ( -0.066 6.236 0.432) 6.252 1.586 ( 4.724 2.247 7.152) 8.861 1.734 ( 4.837 0.355 -4.166) 6.394 1.752 ( -0.965 -1.975 4.257) 4.791 1.837 ( 5.482 1.722 -1.610) 5.967 2.004 ( 3.185 6.041 -0.539) 6.850 2.139 ( 2.828 4.320 -1.832) 5.479 2.301 ( 0.343 -0.463 -4.071) 4.111 2.409 ( 1.511 -1.089 -2.223) 2.900 2.435 ( -0.122 0.792 -1.272) 1.504 2.597 ( 1.526 -1.443 -10.217) 10.430 2.704 ( 5.173 -1.351 -2.068) 5.733 2.746 ( -0.775 -1.276 -3.990) 4.260 2.926 ( -5.020 -4.713 -1.730) 7.100 2.981 ( 9.041 -2.390 -1.211) 9.430 3.091 ( 6.600 -0.555 -6.206) 9.077 3.149 ( -16.227 5.310 7.300) 18.569 3.398 ( -5.690 1.872 -7.615) 9.689 3.672 ( 1.539 1.982 3.654) 4.433 3.933 ( -1.049 -2.996 -4.152) 5.227 4.210 ( 4.661 1.076 3.598) 5.986 4.265 ( -0.711 2.282 2.711) 3.614 4.364 ( -2.722 -3.296 3.371) 5.444 4.445 ( -3.444 -1.032 -0.588) 3.643 5.402 ( -1.703 -3.697 6.548) 7.710 5.477 ( 1.688 -1.415 1.214) 2.515 5.564 ( 3.341 1.436 8.133) 8.909 5.730 ( -0.584 -1.693 0.652) 1.906 5.988 ( 4.169 -1.413 -1.576) 4.676 6.183 ( 1.894 3.309 -4.621) 5.991 7.276 ( -4.705 1.495 5.849) 7.654 7.331 ( -0.779 5.717 0.979) 5.852 7.686 ( -6.348 -1.782 8.856) 11.041 8.185 ( -5.053 2.523 7.527) 9.410 8.219 ( 11.002 -2.497 -13.085) 17.277 8.311 ( -6.387 8.611 3.286) 11.214 8.748 ( -2.523 -4.083 -2.330) 5.335 8.876 ( -4.030 1.683 -7.258) 8.471 9.850 ( -2.366 -10.456 13.213) 17.014 10.026 ( 9.748 -4.041 0.431) 10.561 10.113 ( 7.359 -0.587 7.099) 10.242 10.325 ( -4.702 -5.197 2.158) 7.333 12.878 ( 0.249 1.243 19.100) 19.142 13.855 ( 4.966 -14.896 -17.665) 23.635 14.485 ( 5.547 0.817 13.960) 15.044 14.702 ( 11.528 3.920 -0.717) 12.197 14.995 ( -11.925 3.619 -2.201) 12.655 15.378 ( -11.054 5.761 -9.717) 15.805 16.994 ( 3.043 3.250 0.897) 4.542 17.235 ( -2.434 -0.150 -7.160) 7.564 17.515 ( 1.387 1.799 3.552) 4.217 17.646 ( 0.150 -0.525 -2.369) 2.431 ======================= Grid point 158 (84/116) ======================= q-point: (-0.43 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -11.082 -2.815 7.886) 13.890 1.246 ( -0.367 -0.303 -4.324) 4.350 1.392 ( -1.704 6.180 -0.131) 6.412 1.596 ( -5.180 -1.256 9.848) 11.198 1.781 ( 1.437 2.778 4.887) 5.802 1.832 ( -0.332 0.854 -2.132) 2.320 1.938 ( 9.734 1.308 -10.748) 14.560 2.064 ( 2.829 3.069 -1.204) 4.344 2.147 ( -5.250 0.208 -1.741) 5.535 2.253 ( 3.830 1.268 -2.948) 4.997 2.334 ( -4.308 0.957 -4.603) 6.377 2.466 ( -1.304 -2.215 -1.450) 2.951 2.612 ( 2.189 -1.440 -4.637) 5.326 2.676 ( -2.453 2.341 -4.477) 5.616 2.782 ( -5.551 1.652 2.490) 6.304 2.826 ( -1.259 -0.970 -2.469) 2.937 2.867 ( -10.216 1.825 0.454) 10.388 3.138 ( 3.307 -3.030 -4.751) 6.534 3.169 ( 6.856 0.312 -1.214) 6.970 3.397 ( 8.049 1.526 -3.465) 8.895 3.715 ( 1.956 -1.577 3.336) 4.176 3.909 ( 0.202 -2.378 -4.183) 4.816 4.191 ( -5.731 1.964 2.428) 6.527 4.270 ( -1.697 2.876 3.464) 4.811 4.376 ( 1.410 -2.433 2.996) 4.109 4.425 ( 2.187 -2.247 0.611) 3.195 5.328 ( -5.962 -3.654 5.987) 9.206 5.542 ( -2.702 -1.158 7.878) 8.409 5.614 ( 3.410 -1.324 3.321) 4.941 5.738 ( 0.511 1.268 -1.376) 1.940 6.006 ( -0.389 -0.678 -2.263) 2.394 6.165 ( -2.423 1.725 -5.550) 6.297 7.229 ( 0.572 1.518 4.081) 4.392 7.398 ( 1.578 4.408 7.495) 8.837 7.700 ( 8.774 -0.174 -2.180) 9.042 8.046 ( -6.474 3.237 8.492) 11.158 8.287 ( 4.292 3.129 -11.404) 12.581 8.519 ( 15.342 0.808 0.791) 15.384 8.622 ( -9.109 -2.215 5.060) 10.653 8.824 ( 0.720 1.809 -9.345) 9.546 9.678 ( -14.650 -10.042 13.830) 22.511 10.109 ( -1.194 -6.606 1.868) 6.968 10.245 ( -0.623 -0.824 1.691) 1.982 10.505 ( 22.365 -5.077 -3.702) 23.231 12.914 ( -4.614 -0.002 20.730) 21.237 13.806 ( -2.680 -12.965 -19.542) 23.604 14.586 ( -2.278 1.402 6.901) 7.401 14.817 ( -7.091 -5.656 6.344) 11.069 14.896 ( 7.306 6.446 -3.723) 10.430 15.273 ( 8.849 9.242 -8.057) 15.120 17.054 ( 1.638 2.895 1.045) 3.487 17.160 ( -1.627 2.066 -7.221) 7.685 17.542 ( -0.087 0.486 3.184) 3.222 17.626 ( -1.095 0.224 -1.775) 2.097 ======================= Grid point 159 (85/116) ======================= q-point: (-0.29 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -1.796 -5.160 9.012) 10.539 1.185 ( -3.808 2.727 -1.002) 4.790 1.378 ( -1.233 4.038 5.149) 6.659 1.509 ( -7.019 -0.913 5.589) 9.018 1.695 ( -9.886 2.133 1.569) 10.234 1.750 ( -7.182 2.832 -3.411) 8.440 2.001 ( -1.235 2.860 1.893) 3.645 2.064 ( 5.010 -6.306 -10.243) 13.030 2.207 ( 1.323 -1.199 -1.713) 2.474 2.215 ( -2.968 7.877 -3.033) 8.947 2.281 ( -3.451 0.096 -0.743) 3.531 2.386 ( -4.968 2.544 1.561) 5.796 2.559 ( -8.580 3.627 0.607) 9.335 2.612 ( 1.064 -2.366 -7.139) 7.595 2.643 ( -0.666 -0.730 -5.358) 5.448 2.766 ( 3.864 4.607 -4.548) 7.539 2.907 ( 3.433 1.999 -1.656) 4.304 3.178 ( 3.436 -3.517 -5.368) 7.280 3.313 ( 6.675 1.657 2.048) 7.176 3.533 ( 4.956 -3.893 0.015) 6.302 3.795 ( 4.766 1.730 2.299) 5.567 3.903 ( 0.603 -1.724 -3.484) 3.933 4.091 ( -4.244 -0.457 -0.169) 4.272 4.210 ( -4.857 1.493 2.495) 5.660 4.421 ( 1.739 -1.828 4.589) 5.237 4.502 ( 4.322 -1.702 1.625) 4.922 5.247 ( -4.463 -3.395 5.240) 7.675 5.452 ( -7.393 5.563 8.217) 12.374 5.671 ( -6.169 0.133 -3.272) 6.984 5.727 ( 4.266 -5.036 5.441) 8.553 6.002 ( -1.110 -1.037 -3.520) 3.834 6.051 ( -4.612 0.132 -3.679) 5.902 7.330 ( 8.457 1.374 0.423) 8.578 7.470 ( 3.442 1.904 10.765) 11.462 7.934 ( 6.887 1.379 -1.423) 7.166 8.015 ( 7.778 1.444 -2.264) 8.229 8.345 ( 5.984 2.720 -11.446) 13.199 8.489 ( -6.038 -2.259 7.877) 10.178 8.729 ( -0.630 -0.239 12.398) 12.416 8.794 ( -0.008 2.465 -7.852) 8.230 9.522 ( -1.658 -12.348 2.951) 12.804 10.038 ( -4.468 -11.011 -0.633) 11.900 10.268 ( 0.825 6.991 3.041) 7.668 10.871 ( 15.698 -6.770 -7.525) 18.679 12.867 ( -7.974 -0.305 19.756) 21.307 13.606 ( -9.656 -8.231 -18.655) 22.561 14.486 ( -6.505 1.531 0.101) 6.684 14.679 ( -7.905 -3.731 -0.679) 8.768 15.071 ( 11.354 3.471 2.534) 12.140 15.568 ( 18.214 1.328 -1.992) 18.371 17.026 ( -2.227 2.481 -3.104) 4.555 17.164 ( 2.643 6.968 -1.340) 7.572 17.533 ( -1.957 -0.129 1.854) 2.699 17.594 ( -1.714 1.064 -1.478) 2.500 ======================= Grid point 160 (86/116) ======================= q-point: (-0.14 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -1.912 -4.284 7.492) 8.840 1.129 ( -3.744 -2.797 -0.509) 4.701 1.272 ( -10.495 1.775 14.151) 17.708 1.449 ( 1.200 1.174 -0.631) 1.793 1.543 ( -4.763 0.194 3.222) 5.754 1.654 ( 0.334 8.731 -3.759) 9.512 1.925 ( -8.950 1.110 4.048) 9.885 2.046 ( -10.472 5.512 3.588) 12.366 2.092 ( 1.048 -6.465 -9.639) 11.654 2.165 ( -3.825 1.879 -3.661) 5.618 2.192 ( -0.869 3.290 -2.969) 4.516 2.377 ( 0.657 5.831 -6.132) 8.487 2.488 ( 0.671 1.610 -1.476) 2.285 2.586 ( 1.822 -1.695 -6.889) 7.325 2.736 ( 8.092 -2.952 -4.201) 9.583 2.853 ( 5.558 3.508 -5.068) 8.300 2.953 ( 2.120 2.031 -0.282) 2.949 3.192 ( -0.501 -1.975 -4.559) 4.994 3.438 ( 4.725 2.302 5.452) 7.573 3.602 ( 2.660 -4.888 0.898) 5.637 3.838 ( -1.891 3.256 -0.152) 3.768 3.911 ( 1.460 -0.152 -2.611) 2.995 4.050 ( -1.365 -1.784 0.513) 2.304 4.133 ( -1.399 0.406 -1.373) 2.001 4.475 ( 1.433 -2.772 6.184) 6.927 4.585 ( 3.374 -1.094 1.424) 3.822 5.212 ( -0.787 -1.657 5.831) 6.113 5.359 ( -4.762 5.791 6.298) 9.792 5.523 ( -7.103 0.832 -0.963) 7.216 5.731 ( -7.974 -3.060 0.511) 8.556 5.910 ( -0.337 -1.300 0.834) 1.581 6.057 ( 1.902 -4.019 -1.589) 4.722 7.529 ( 11.241 0.762 -0.646) 11.286 7.610 ( 6.338 0.949 9.289) 11.285 7.866 ( -7.655 2.545 0.563) 8.087 8.280 ( 9.659 -3.432 -2.329) 10.512 8.396 ( 1.572 3.759 -8.930) 9.816 8.506 ( 6.978 -3.636 7.051) 10.565 8.626 ( -5.962 2.943 -8.557) 10.837 8.732 ( -6.241 -4.344 14.771) 16.613 9.648 ( 11.586 -10.873 -4.264) 16.451 9.958 ( -4.274 -11.646 0.142) 12.407 10.300 ( 1.800 9.200 4.512) 10.403 10.954 ( -6.347 -5.562 -9.107) 12.416 12.782 ( -7.636 1.488 16.818) 18.530 13.359 ( -6.626 -4.330 -13.456) 15.611 14.379 ( -4.279 -0.825 -0.158) 4.361 14.540 ( -5.349 -1.490 -3.838) 6.749 15.314 ( 11.463 0.607 5.542) 12.747 15.825 ( 7.585 -3.058 -4.945) 9.557 17.028 ( 4.265 4.143 -0.798) 5.999 17.208 ( 1.884 7.902 -0.173) 8.125 17.483 ( -3.537 0.770 0.486) 3.652 17.548 ( -2.118 1.455 -2.293) 3.443 ======================= Grid point 161 (87/116) ======================= q-point: ( 0.00 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -3.038 -0.037 4.342) 5.299 1.009 ( 4.909 -2.176 -2.253) 5.823 1.320 ( 2.362 1.387 11.210) 11.540 1.460 ( 3.953 -2.992 5.583) 7.466 1.573 ( -1.825 4.794 -1.127) 5.252 1.766 ( -5.521 -0.726 -4.770) 7.332 1.861 ( -4.202 7.307 -0.292) 8.434 1.954 ( -0.751 2.325 -1.642) 2.943 2.054 ( -2.695 4.731 -0.084) 5.445 2.174 ( 6.014 1.807 -4.094) 7.497 2.299 ( 0.543 5.629 -0.494) 5.676 2.414 ( -4.174 5.143 -4.891) 8.234 2.549 ( 2.225 1.534 -5.421) 6.057 2.600 ( 3.328 -0.975 -5.720) 6.689 2.749 ( 0.118 -5.957 1.033) 6.048 2.922 ( 0.850 -3.703 0.828) 3.888 2.932 ( 3.958 -2.197 -9.306) 10.348 3.142 ( -0.727 -1.761 -5.399) 5.725 3.637 ( 1.401 5.178 -0.164) 5.367 3.657 ( 2.932 2.216 0.350) 3.692 3.769 ( -1.019 3.135 -0.100) 3.298 3.932 ( -3.561 1.760 6.295) 7.444 4.019 ( -0.424 2.190 -4.660) 5.166 4.134 ( 2.604 -2.691 -1.644) 4.090 4.423 ( -0.388 -5.624 7.244) 9.179 4.572 ( 0.421 -5.512 -0.216) 5.532 5.311 ( 7.135 2.691 4.909) 9.069 5.411 ( -2.890 5.041 6.253) 8.536 5.461 ( -1.535 0.750 2.740) 3.229 5.508 ( -8.814 -0.726 -1.656) 8.998 5.831 ( -3.075 -4.155 1.114) 5.288 5.999 ( 4.536 -6.240 -3.928) 8.657 7.705 ( 0.959 1.175 8.729) 8.859 7.779 ( -6.625 4.576 3.691) 8.857 7.801 ( 6.903 2.639 1.271) 7.499 8.087 ( -11.041 -7.896 6.872) 15.214 8.356 ( -10.985 2.370 1.336) 11.317 8.538 ( 4.553 -3.559 -2.716) 6.385 8.598 ( 3.989 -3.496 -3.380) 6.290 8.827 ( 17.542 -2.877 -10.130) 20.460 9.575 ( -8.883 -11.271 1.820) 14.465 9.667 ( 9.961 -8.781 -4.190) 13.924 10.465 ( -5.184 4.278 12.802) 14.459 10.602 ( -18.249 0.203 5.066) 18.940 12.808 ( -2.474 5.700 8.984) 10.923 13.208 ( 5.914 -7.644 -5.838) 11.291 14.313 ( -1.787 0.333 1.071) 2.109 14.415 ( -2.986 -1.934 -2.306) 4.240 15.531 ( 4.363 3.255 5.010) 7.399 15.806 ( 1.437 -2.631 -7.458) 8.038 17.193 ( 0.069 4.459 1.181) 4.613 17.302 ( -0.269 2.466 -3.777) 4.519 17.488 ( -0.900 2.613 0.034) 2.764 17.562 ( 1.322 2.508 -4.159) 5.034 ======================= Grid point 162 (88/116) ======================= q-point: ( 0.14 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 8.148 2.276 0.537) 8.477 1.183 ( 11.977 -1.633 -0.701) 12.109 1.406 ( 1.067 3.026 5.664) 6.510 1.515 ( -2.828 2.015 2.352) 4.194 1.595 ( 6.336 -2.196 2.901) 7.307 1.675 ( -0.476 -2.561 -1.986) 3.276 1.818 ( -0.004 5.223 0.027) 5.223 1.938 ( -1.438 3.031 1.356) 3.619 2.087 ( 6.540 3.047 -3.177) 7.884 2.284 ( -1.720 1.828 -0.938) 2.680 2.319 ( 2.172 7.575 -0.653) 7.907 2.339 ( 6.136 3.423 -3.962) 8.066 2.542 ( -0.378 -0.839 -5.939) 6.010 2.632 ( 1.902 -1.368 -7.345) 7.710 2.710 ( -2.285 -3.184 -1.627) 4.243 2.935 ( -0.244 -4.175 2.580) 4.914 2.989 ( 4.493 -1.850 -10.712) 11.762 3.075 ( -4.089 0.003 -5.326) 6.714 3.542 ( -5.242 -1.641 -3.995) 6.792 3.696 ( 0.008 1.501 4.439) 4.686 3.786 ( -8.623 4.550 4.004) 10.540 3.906 ( 6.359 5.050 0.133) 8.121 4.037 ( 2.723 3.871 -3.779) 6.056 4.144 ( -0.693 -5.398 -0.160) 5.444 4.430 ( -1.708 -3.998 6.442) 7.771 4.551 ( -2.288 -5.297 -1.044) 5.864 5.353 ( -4.159 1.574 -1.373) 4.654 5.418 ( 0.397 3.534 7.849) 8.617 5.483 ( 4.242 2.812 3.404) 6.123 5.532 ( 8.839 -1.091 4.738) 10.088 5.767 ( -2.357 -3.123 -1.521) 4.198 6.078 ( 4.515 -5.610 -3.085) 7.834 7.578 ( -8.901 7.062 1.214) 11.427 7.709 ( -10.077 -0.903 13.260) 16.678 7.879 ( -5.217 -0.838 7.607) 9.262 7.944 ( -2.272 -0.924 7.681) 8.063 8.252 ( 3.150 1.379 -13.555) 13.984 8.614 ( 5.541 -6.292 -6.821) 10.809 8.705 ( 7.939 -1.906 -4.002) 9.093 9.081 ( 1.618 -11.561 5.919) 13.089 9.353 ( -5.709 2.576 -6.976) 9.376 9.765 ( 1.374 -8.173 -2.224) 8.581 10.273 ( -13.731 4.086 13.423) 19.632 10.416 ( -8.758 -2.721 15.922) 18.374 12.811 ( -0.137 7.487 8.207) 11.110 13.356 ( 9.978 -10.395 -6.654) 15.871 14.315 ( 0.746 0.791 4.306) 4.441 14.410 ( 3.442 -1.965 -0.178) 3.968 15.531 ( -5.669 4.163 0.464) 7.049 15.774 ( -1.514 -0.755 -8.746) 8.908 17.112 ( -5.472 5.151 -0.124) 7.516 17.320 ( 0.686 -0.552 -2.341) 2.501 17.491 ( 1.418 3.475 0.608) 3.802 17.587 ( 2.430 1.350 -3.215) 4.250 ======================= Grid point 163 (89/116) ======================= q-point: ( 0.29 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 9.220 1.648 -5.370) 10.796 1.356 ( -2.290 -1.751 -4.583) 5.414 1.429 ( 5.734 2.030 5.085) 7.928 1.479 ( 0.756 -0.663 1.979) 2.220 1.678 ( 3.736 -0.062 -0.832) 3.828 1.764 ( 3.356 0.788 6.211) 7.104 1.829 ( 0.937 4.864 -0.039) 4.953 1.956 ( 4.875 1.902 -2.222) 5.685 2.212 ( 5.732 2.133 -2.541) 6.623 2.288 ( 0.903 1.583 4.156) 4.538 2.321 ( 3.809 7.807 -1.347) 8.791 2.482 ( 0.913 -1.290 -4.823) 5.075 2.550 ( 7.306 0.425 -3.929) 8.306 2.590 ( -1.945 -3.508 -8.385) 9.295 2.701 ( 2.906 -2.250 -2.729) 4.577 2.900 ( -3.735 -3.355 -1.750) 5.316 2.964 ( -4.604 0.176 -4.804) 6.656 3.032 ( 4.406 0.691 -8.235) 9.365 3.433 ( -6.581 -1.692 1.064) 6.878 3.589 ( -10.070 2.832 -0.451) 10.470 3.713 ( -0.783 2.309 4.035) 4.714 3.934 ( -2.805 -0.499 -6.499) 7.096 4.124 ( 6.500 4.063 1.915) 7.901 4.167 ( 3.135 -3.905 2.304) 5.513 4.404 ( -3.176 -1.681 4.930) 6.100 4.483 ( -3.914 -4.104 -1.491) 5.863 5.312 ( 0.046 -1.163 -0.284) 1.199 5.450 ( -2.410 -4.674 7.983) 9.559 5.569 ( 2.639 7.057 6.150) 9.726 5.668 ( 5.177 2.163 -3.153) 6.436 5.832 ( 8.607 -1.158 1.343) 8.788 6.142 ( 3.341 -4.693 -3.198) 6.588 7.443 ( -6.835 7.030 5.287) 11.139 7.520 ( -10.550 2.453 9.958) 14.713 7.771 ( -8.356 -1.215 9.542) 12.742 7.987 ( 5.457 -3.300 -2.714) 6.930 8.296 ( 4.226 5.175 -11.256) 13.090 8.670 ( 2.234 -5.265 -4.492) 7.273 8.751 ( -16.756 4.609 9.029) 19.584 8.887 ( 0.303 -6.427 -2.271) 6.823 9.501 ( 13.439 -1.515 -4.548) 14.268 9.774 ( 2.806 -8.098 1.303) 8.669 10.135 ( -8.151 0.158 13.391) 15.677 10.290 ( -8.928 -6.977 11.224) 15.949 12.866 ( 1.572 6.469 10.568) 12.491 13.493 ( 6.605 -14.236 -8.088) 17.655 14.387 ( 3.996 2.506 9.745) 10.827 14.530 ( 7.857 -1.315 2.235) 8.274 15.359 ( -9.898 7.344 -4.943) 13.280 15.655 ( -6.918 -0.221 -11.088) 13.071 17.047 ( -0.852 5.522 0.172) 5.589 17.289 ( -2.140 -1.269 -3.434) 4.240 17.530 ( 1.575 3.253 1.557) 3.935 17.619 ( 1.654 -0.502 -1.770) 2.474 ======================= Grid point 164 (90/116) ======================= q-point: (-0.57 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -3.588 -2.805 -1.812) 4.902 1.202 ( -3.541 0.447 -6.126) 7.090 1.463 ( 1.297 -1.034 -1.454) 2.206 1.656 ( 10.534 1.294 -2.463) 10.896 1.705 ( -1.322 0.733 2.971) 3.333 1.804 ( 0.534 4.943 8.159) 9.554 1.880 ( 4.002 3.650 -1.791) 5.705 2.099 ( 8.871 2.895 -3.584) 9.996 2.241 ( -2.011 4.948 1.075) 5.449 2.314 ( -1.163 2.399 -1.549) 3.084 2.389 ( 2.101 -0.639 -6.910) 7.250 2.462 ( -1.039 1.639 -1.209) 2.286 2.535 ( 0.659 -4.438 -2.149) 4.975 2.653 ( 6.544 -0.907 -5.985) 8.914 2.768 ( 0.213 0.734 -2.803) 2.905 2.837 ( -1.891 -4.450 -4.759) 6.784 2.935 ( 7.678 -1.519 -3.044) 8.398 3.075 ( 0.285 -1.627 -3.541) 3.908 3.261 ( -9.853 6.274 3.365) 12.156 3.439 ( -3.972 2.560 -5.051) 6.917 3.696 ( -2.265 0.286 2.819) 3.628 3.856 ( -1.880 -5.190 -4.192) 6.932 4.219 ( 2.579 -1.814 4.526) 5.516 4.271 ( 4.576 0.597 2.090) 5.066 4.349 ( -3.997 0.851 3.255) 5.224 4.404 ( -3.020 -2.825 -2.192) 4.681 5.327 ( -1.361 -3.424 4.103) 5.515 5.395 ( -1.617 -5.817 1.595) 6.245 5.651 ( 2.734 7.173 5.468) 9.425 5.750 ( 3.115 3.520 -1.095) 4.826 5.972 ( 4.175 -1.070 0.501) 4.339 6.177 ( 1.437 -4.041 -3.586) 5.590 7.317 ( -7.746 3.389 11.822) 14.534 7.469 ( -0.558 6.285 5.824) 8.587 7.666 ( -2.697 1.315 2.073) 3.647 8.137 ( 11.470 -6.003 -9.620) 16.129 8.272 ( -6.669 5.983 5.348) 10.434 8.486 ( -5.689 8.222 1.095) 10.058 8.672 ( -2.611 -3.161 2.662) 4.888 8.880 ( -0.250 -1.528 -8.915) 9.048 9.668 ( -3.309 -7.123 12.765) 14.988 9.911 ( 8.411 -8.160 -0.789) 11.745 10.060 ( 0.704 -3.519 7.487) 8.302 10.208 ( -0.003 -6.613 0.148) 6.615 12.929 ( -0.507 4.424 13.713) 14.418 13.545 ( 2.336 -16.405 -8.978) 18.846 14.524 ( 4.516 2.910 13.744) 14.756 14.699 ( 6.550 -2.423 6.261) 9.379 15.153 ( -7.455 10.546 -8.707) 15.576 15.460 ( -6.204 2.189 -15.064) 16.438 17.072 ( 2.867 4.565 0.206) 5.394 17.228 ( -2.159 -0.608 -4.699) 5.207 17.555 ( 0.214 2.082 2.298) 3.109 17.632 ( 0.285 -0.874 -1.056) 1.400 ======================= Grid point 165 (91/116) ======================= q-point: (-0.43 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -10.383 -0.674 2.729) 10.757 1.182 ( -1.275 -5.675 -4.931) 7.625 1.485 ( 2.240 3.511 -6.037) 7.334 1.661 ( -4.681 6.034 8.522) 11.443 1.824 ( 4.844 -1.573 -2.275) 5.578 1.834 ( 0.375 0.936 1.147) 1.527 1.947 ( 1.593 3.214 -2.029) 4.122 2.148 ( -1.952 -0.165 -2.058) 2.841 2.169 ( -6.341 4.370 -4.608) 8.974 2.282 ( 3.450 3.276 1.873) 5.113 2.381 ( 1.369 2.705 -7.803) 8.371 2.442 ( 0.983 -0.289 -4.161) 4.286 2.567 ( -0.404 -1.702 3.335) 3.766 2.711 ( -1.234 0.960 -5.433) 5.654 2.783 ( 4.035 -0.331 -3.491) 5.346 2.813 ( -2.073 -1.571 -3.256) 4.168 2.911 ( -5.040 1.584 -5.474) 7.608 3.069 ( 0.064 -2.795 -3.207) 4.254 3.229 ( 5.149 6.208 3.896) 8.957 3.446 ( 6.497 2.758 -3.544) 7.898 3.663 ( -1.151 -3.644 1.886) 4.262 3.837 ( 0.915 -5.072 -2.312) 5.649 4.239 ( -4.656 2.241 3.489) 6.235 4.284 ( -2.521 -1.155 1.971) 3.402 4.308 ( 0.186 -4.191 2.443) 4.854 4.402 ( 3.014 -0.157 -0.138) 3.021 5.264 ( -4.557 -2.228 4.144) 6.550 5.449 ( 3.859 -6.752 2.891) 8.297 5.682 ( -1.626 6.657 4.232) 8.055 5.769 ( -0.746 2.713 -1.485) 3.182 5.992 ( -1.277 -1.448 0.012) 1.931 6.154 ( -2.856 -3.217 -3.732) 5.695 7.279 ( 0.122 3.724 7.418) 8.301 7.455 ( -3.434 0.564 13.806) 14.238 7.763 ( 12.576 7.550 -7.905) 16.663 8.130 ( -6.752 5.335 6.314) 10.673 8.293 ( 6.368 -3.006 -9.933) 12.175 8.514 ( -0.961 -3.879 3.640) 5.406 8.634 ( 3.971 5.757 4.801) 8.483 8.859 ( 1.931 1.404 -9.723) 10.012 9.478 ( -17.167 -9.103 12.661) 23.192 9.883 ( -7.651 -15.267 3.752) 17.484 10.250 ( 8.979 0.402 1.596) 9.128 10.395 ( 19.256 -5.771 -5.285) 20.786 12.938 ( -4.469 2.930 15.112) 16.029 13.511 ( -2.315 -16.312 -9.294) 18.916 14.622 ( -0.818 2.217 10.404) 10.669 14.734 ( -6.482 -2.551 8.588) 11.058 15.077 ( 3.520 10.517 -8.546) 14.001 15.388 ( 6.461 2.693 -13.653) 15.342 17.117 ( 0.270 3.502 -0.865) 3.617 17.203 ( 2.940 1.930 -5.067) 6.168 17.557 ( -0.871 1.086 2.527) 2.885 17.626 ( -0.450 -0.331 -0.715) 0.907 ======================= Grid point 166 (92/116) ======================= q-point: (-0.29 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -2.449 -0.738 5.151) 5.751 1.120 ( -3.387 -7.276 -2.040) 8.281 1.479 ( -4.589 5.106 3.545) 7.726 1.570 ( -5.656 5.447 1.396) 7.975 1.708 ( -12.544 -0.333 3.412) 13.004 1.835 ( -1.998 6.007 -4.263) 7.632 1.929 ( 3.484 -6.434 -9.751) 12.190 2.103 ( -1.769 6.960 1.951) 7.441 2.161 ( 1.390 -3.390 -1.836) 4.098 2.313 ( -1.137 3.537 2.137) 4.286 2.397 ( 1.841 8.424 -8.591) 12.173 2.438 ( -2.766 3.279 0.088) 4.291 2.560 ( -3.200 -2.115 -2.552) 4.607 2.574 ( -4.662 -2.765 1.108) 5.532 2.667 ( -2.474 2.481 -6.920) 7.756 2.856 ( 3.245 2.397 -1.765) 4.404 2.927 ( 2.195 2.134 -8.212) 8.765 3.084 ( 5.432 -5.164 -5.441) 9.261 3.372 ( 6.458 4.085 3.152) 8.266 3.534 ( 1.722 3.884 2.637) 5.000 3.738 ( 8.260 -7.481 0.017) 11.144 3.865 ( 2.675 -1.518 -1.804) 3.566 4.132 ( -6.160 3.878 0.408) 7.290 4.211 ( -4.513 -1.154 0.000) 4.658 4.350 ( 1.310 -5.022 4.760) 7.042 4.470 ( 3.516 -2.255 1.743) 4.526 5.209 ( -2.631 -0.181 4.119) 4.891 5.508 ( -1.256 -4.610 7.788) 9.137 5.640 ( -4.095 3.705 0.774) 5.576 5.715 ( -1.931 2.501 -2.433) 3.988 5.965 ( -1.457 -3.203 0.221) 3.526 6.032 ( -7.551 -2.407 -3.811) 8.794 7.373 ( 7.016 3.077 3.536) 8.438 7.497 ( 2.699 0.569 11.606) 11.929 8.000 ( 7.960 5.682 -1.189) 9.852 8.071 ( 3.058 4.361 -0.551) 5.354 8.363 ( 5.447 -1.502 -9.719) 11.242 8.422 ( -5.465 -4.888 4.693) 8.705 8.745 ( -2.576 2.426 6.813) 7.677 8.881 ( -1.192 7.103 -2.023) 7.481 9.258 ( -1.663 -14.365 0.306) 14.464 9.749 ( -6.231 -18.356 2.036) 19.492 10.398 ( 5.295 6.210 2.847) 8.643 10.726 ( 14.550 -7.581 -5.207) 17.213 12.882 ( -6.545 2.350 14.014) 15.644 13.385 ( -6.794 -13.593 -8.378) 17.352 14.534 ( -8.356 3.079 0.600) 8.926 14.628 ( -6.522 -1.436 4.511) 8.059 15.182 ( 8.697 7.722 -1.020) 11.675 15.561 ( 12.630 -2.347 -6.658) 14.469 17.103 ( 0.395 5.218 -2.492) 5.796 17.273 ( 4.684 3.452 -3.871) 6.988 17.542 ( -1.458 1.211 1.475) 2.402 17.609 ( -1.180 0.357 -0.795) 1.467 ======================= Grid point 167 (93/116) ======================= q-point: (-0.14 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -0.222 -1.461 5.834) 6.019 1.038 ( -4.295 -5.649 -2.876) 7.657 1.325 ( -9.321 2.781 11.565) 15.112 1.451 ( -6.051 -1.538 4.338) 7.603 1.589 ( -0.191 5.205 -2.046) 5.596 1.829 ( 2.307 7.122 -7.990) 10.949 1.924 ( -2.095 -1.210 -3.960) 4.641 2.051 ( -4.690 3.422 1.687) 6.046 2.125 ( -3.760 1.987 -2.543) 4.955 2.197 ( -8.991 2.798 1.938) 9.614 2.309 ( -1.822 6.560 -3.450) 7.633 2.458 ( 1.150 2.800 -0.620) 3.090 2.513 ( 4.098 0.948 -5.620) 7.019 2.588 ( -1.079 1.819 -8.302) 8.567 2.674 ( 5.764 -3.661 0.236) 6.832 2.900 ( 1.815 1.005 -0.005) 2.075 2.926 ( 0.868 -4.256 -7.676) 8.820 3.151 ( 2.308 -2.736 -5.135) 6.259 3.500 ( 7.477 2.842 -1.267) 8.098 3.601 ( 3.273 6.888 5.500) 9.403 3.840 ( 0.053 -4.710 -2.821) 5.491 3.922 ( 1.604 2.641 3.655) 4.786 4.047 ( -0.385 1.789 -2.647) 3.218 4.126 ( -3.316 -1.204 -1.086) 3.691 4.391 ( 0.751 -5.657 6.312) 8.509 4.539 ( 2.636 -4.208 1.256) 5.122 5.209 ( 1.324 1.460 4.913) 5.294 5.465 ( -4.922 2.144 7.304) 9.065 5.529 ( -5.668 1.657 -0.065) 5.905 5.679 ( -5.538 -0.856 0.063) 5.604 5.876 ( -3.539 -2.344 -1.627) 4.546 5.961 ( 0.518 -5.726 -2.647) 6.329 7.554 ( 9.513 1.983 3.346) 10.277 7.629 ( 6.499 0.851 7.735) 10.139 7.940 ( -7.733 4.976 3.838) 9.965 8.212 ( -0.692 -3.486 -0.197) 3.560 8.413 ( 6.879 -5.139 3.117) 9.135 8.472 ( 7.894 2.097 -10.738) 13.491 8.635 ( -11.783 -2.225 12.667) 17.443 8.707 ( -5.934 3.783 -7.630) 10.380 9.439 ( 14.726 -10.245 -5.749) 18.838 9.670 ( -3.550 -16.949 2.665) 17.521 10.470 ( 0.477 8.163 6.013) 10.150 10.836 ( -3.124 -6.323 -2.728) 7.561 12.825 ( -3.917 3.119 11.340) 12.396 13.227 ( -4.969 -9.044 -6.229) 12.054 14.387 ( -6.036 1.863 -0.360) 6.327 14.512 ( -5.758 -1.389 -1.281) 6.060 15.370 ( 9.263 5.207 3.944) 11.335 15.746 ( 7.791 -5.128 -5.090) 10.626 17.133 ( 3.476 6.452 -1.412) 7.464 17.324 ( 1.450 3.247 -3.154) 4.753 17.514 ( -1.624 2.226 -0.271) 2.768 17.576 ( -1.265 1.365 -2.168) 2.857 ======================= Grid point 168 (94/116) ======================= q-point: ( 0.00 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 1.818 3.793 -1.907) 4.618 0.945 ( 5.130 -4.313 -4.383) 8.008 1.357 ( 2.657 2.349 10.817) 11.383 1.405 ( 3.386 -2.737 8.848) 9.862 1.661 ( -3.542 4.218 -3.998) 6.806 1.729 ( -4.787 -2.880 -6.633) 8.673 1.958 ( -5.423 3.182 1.383) 6.438 1.992 ( -2.687 0.100 -0.590) 2.753 2.158 ( -0.572 6.255 -1.854) 6.549 2.221 ( 4.382 0.944 -3.795) 5.873 2.426 ( 1.512 6.519 0.239) 6.696 2.485 ( -2.244 2.437 -3.477) 4.803 2.536 ( -1.294 -3.441 -3.026) 4.762 2.575 ( 3.427 -1.740 -3.827) 5.423 2.677 ( 1.349 0.950 0.200) 1.662 2.782 ( 0.487 -8.816 -0.732) 8.859 2.957 ( 2.620 4.271 -8.596) 9.950 3.064 ( 0.715 -5.833 -7.682) 9.672 3.677 ( 1.560 1.570 -4.760) 5.250 3.698 ( -3.675 -0.115 -5.830) 6.893 3.909 ( 2.906 8.393 5.801) 10.608 3.984 ( -2.182 1.717 4.459) 5.253 4.039 ( 0.710 0.914 1.942) 2.261 4.103 ( 2.285 -1.609 1.644) 3.242 4.335 ( 0.279 -0.954 3.148) 3.301 4.430 ( -0.100 -8.342 -0.736) 8.375 5.360 ( 5.954 2.607 3.142) 7.219 5.415 ( 2.067 -3.027 2.353) 4.356 5.511 ( -6.395 3.665 5.786) 9.371 5.535 ( -8.151 1.232 3.503) 8.957 5.794 ( -0.252 0.978 -3.630) 3.768 5.873 ( 3.602 -6.380 -5.211) 8.991 7.745 ( 2.601 3.208 10.588) 11.366 7.810 ( 6.638 -2.270 7.370) 10.175 7.880 ( -9.387 5.241 3.557) 11.324 7.968 ( -9.910 -4.406 2.951) 11.240 8.376 ( -7.181 1.099 2.625) 7.724 8.444 ( -0.070 -5.482 -0.835) 5.545 8.618 ( 5.517 5.354 -6.828) 10.282 8.742 ( 8.412 -6.304 -9.203) 13.971 9.455 ( 2.070 -0.894 -1.190) 2.550 9.517 ( 8.974 -6.413 -4.609) 11.955 10.535 ( -10.064 3.097 12.370) 16.244 10.583 ( -13.806 -1.942 9.601) 16.928 12.923 ( 1.169 6.491 4.134) 7.784 13.058 ( 3.831 -7.736 -0.764) 8.667 14.336 ( -2.753 1.916 -0.018) 3.354 14.376 ( -3.295 -2.113 -1.228) 4.102 15.622 ( 4.132 5.733 0.366) 7.077 15.730 ( 3.451 -5.159 -4.264) 7.531 17.274 ( -1.132 3.730 0.102) 3.899 17.321 ( -1.255 -0.809 -1.838) 2.368 17.538 ( 0.118 2.754 -1.657) 3.217 17.578 ( 1.070 -0.936 -3.927) 4.176 ======================= Grid point 169 (95/116) ======================= q-point: ( 0.14 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 10.372 6.654 -4.673) 13.179 1.107 ( 12.183 -6.013 -5.240) 14.562 1.471 ( 2.353 3.426 8.340) 9.318 1.523 ( -0.587 -1.632 4.702) 5.012 1.579 ( 1.824 1.068 1.301) 2.482 1.620 ( -0.966 -2.882 -3.461) 4.606 1.924 ( 0.252 4.541 0.537) 4.579 1.968 ( -0.098 -0.216 0.951) 0.981 2.166 ( 2.821 6.304 -2.678) 7.407 2.283 ( 3.477 -3.356 -2.467) 5.426 2.412 ( -2.936 2.604 -3.469) 5.238 2.453 ( 0.844 0.507 -4.472) 4.579 2.520 ( 1.572 4.869 0.652) 5.158 2.603 ( 0.649 -1.560 -4.963) 5.243 2.693 ( 0.614 1.874 -1.928) 2.758 2.804 ( 0.940 -8.555 0.902) 8.654 2.985 ( 3.509 1.577 -8.933) 9.726 3.041 ( -0.245 -3.419 -7.189) 7.964 3.555 ( -6.297 3.299 -5.075) 8.735 3.642 ( -3.806 -4.938 -1.453) 6.401 3.892 ( -5.617 5.971 5.015) 9.611 3.996 ( -1.964 -3.387 2.941) 4.896 4.097 ( 4.571 5.661 0.948) 7.338 4.126 ( 1.734 3.791 -1.461) 4.418 4.357 ( 0.225 -2.424 3.768) 4.486 4.418 ( -0.810 -7.645 -1.403) 7.815 5.372 ( -4.859 1.058 0.081) 4.973 5.407 ( -3.248 -2.574 2.788) 4.995 5.545 ( 6.046 2.754 5.599) 8.688 5.562 ( 8.544 1.460 6.929) 11.097 5.786 ( 1.454 5.342 -4.752) 7.296 5.934 ( 4.387 -8.735 -4.608) 10.807 7.707 ( -9.472 5.039 8.147) 13.471 7.719 ( -10.124 1.621 12.149) 15.898 7.843 ( -4.576 -1.151 5.938) 7.585 7.895 ( -1.404 -4.322 4.443) 6.355 8.327 ( 5.156 6.498 -8.978) 12.224 8.476 ( 5.542 -8.319 -7.254) 12.351 8.722 ( 5.450 4.604 -1.093) 7.218 8.868 ( 2.595 -10.097 2.853) 10.808 9.447 ( 1.064 6.821 -8.964) 11.314 9.599 ( 2.284 -8.813 -6.954) 11.457 10.329 ( -14.985 2.222 16.744) 22.580 10.369 ( -13.409 -2.187 17.323) 22.016 12.969 ( 2.089 9.105 2.893) 9.779 13.155 ( 5.620 -10.375 -2.028) 11.973 14.338 ( 2.046 1.550 3.771) 4.562 14.372 ( 2.939 -1.952 2.229) 4.173 15.630 ( -2.849 5.614 -3.874) 7.392 15.725 ( -1.533 -4.086 -7.811) 8.947 17.211 ( -3.965 4.968 0.049) 6.357 17.289 ( -1.897 -2.924 -0.671) 3.549 17.553 ( 1.714 2.895 -1.018) 3.515 17.592 ( 1.406 -0.989 -2.537) 3.065 ======================= Grid point 170 (96/116) ======================= q-point: ( 0.29 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 7.980 6.756 -9.656) 14.233 1.282 ( 4.538 -6.227 -10.482) 13.009 1.445 ( -1.452 -0.092 1.774) 2.294 1.449 ( -1.737 -0.964 3.240) 3.801 1.703 ( 6.544 2.575 4.190) 8.186 1.754 ( 7.263 -2.095 6.160) 9.751 1.937 ( 1.461 5.219 -2.747) 6.076 1.987 ( 2.984 0.323 -0.713) 3.085 2.248 ( 5.527 3.694 -1.650) 6.850 2.353 ( 3.563 1.809 1.791) 4.379 2.369 ( 0.293 -2.855 -4.387) 5.242 2.449 ( 1.480 -3.127 -1.924) 3.958 2.546 ( -1.921 3.934 -3.574) 5.651 2.604 ( 4.411 0.373 -3.072) 5.388 2.683 ( -0.435 2.969 -4.200) 5.162 2.800 ( -1.391 -6.465 -0.823) 6.664 2.987 ( -1.080 1.658 -5.088) 5.459 3.029 ( 2.145 -1.982 -5.856) 6.544 3.440 ( -3.426 4.153 -4.489) 7.010 3.554 ( -4.019 -5.837 -3.252) 7.798 3.787 ( -6.345 5.404 3.764) 9.145 3.890 ( -7.737 -4.787 -0.622) 9.119 4.162 ( 2.502 4.044 -0.349) 4.769 4.211 ( 4.594 2.184 2.116) 5.509 4.359 ( -1.161 -2.080 1.544) 2.839 4.393 ( -1.267 -4.348 1.022) 4.642 5.306 ( -2.154 0.857 0.876) 2.478 5.353 ( -3.576 -4.140 3.461) 6.473 5.696 ( 6.431 5.474 4.656) 9.644 5.754 ( 7.114 1.754 3.773) 8.241 5.831 ( 5.609 4.648 -3.682) 8.162 5.999 ( 3.905 -9.541 -3.924) 11.030 7.541 ( -12.058 4.166 16.094) 20.537 7.589 ( -7.725 1.055 11.138) 13.596 7.772 ( -3.050 3.441 0.806) 4.668 7.888 ( 2.616 -6.686 -3.419) 7.952 8.421 ( 5.108 7.491 -7.512) 11.774 8.560 ( 3.721 -6.643 -5.117) 9.174 8.794 ( -1.321 -0.220 1.833) 2.270 8.801 ( -6.554 -1.350 6.231) 9.144 9.518 ( 9.464 3.300 -7.839) 12.724 9.622 ( 4.826 -7.284 -4.025) 9.620 10.138 ( -11.723 0.732 14.857) 18.939 10.181 ( -11.829 -4.084 13.647) 18.516 13.020 ( 1.576 9.744 4.247) 10.745 13.234 ( 3.167 -12.630 -2.035) 13.179 14.439 ( 5.418 2.799 8.927) 10.811 14.490 ( 6.754 -2.528 6.601) 9.777 15.503 ( -6.702 7.121 -9.350) 13.530 15.613 ( -5.644 -4.145 -12.149) 14.023 17.155 ( -1.529 5.531 -0.013) 5.738 17.244 ( -2.134 -3.580 -1.152) 4.323 17.581 ( 1.017 1.975 0.118) 2.225 17.607 ( 0.748 -0.899 -0.799) 1.416 ======================= Grid point 171 (97/116) ======================= q-point: (-0.57 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -5.819 1.382 -5.329) 8.011 1.187 ( -5.210 -2.585 -8.349) 10.175 1.476 ( 5.910 3.364 -4.086) 7.933 1.571 ( 8.515 -5.883 -6.244) 12.087 1.790 ( 1.019 4.533 6.014) 7.600 1.852 ( 0.250 -1.070 7.018) 7.103 1.982 ( 4.751 6.821 -3.361) 8.966 2.100 ( 7.640 -3.802 -3.728) 9.313 2.317 ( 0.471 3.249 -2.778) 4.301 2.357 ( 0.437 1.886 -2.090) 2.849 2.376 ( -4.324 -0.186 -1.663) 4.637 2.444 ( -0.508 -2.609 1.742) 3.178 2.560 ( 4.380 5.934 0.459) 7.390 2.684 ( 4.386 2.883 -6.076) 8.029 2.701 ( 4.516 -6.257 -0.388) 7.726 2.764 ( -0.027 -3.604 -5.457) 6.540 2.953 ( 0.583 2.832 -5.580) 6.285 3.019 ( -1.987 -3.816 -3.415) 5.493 3.391 ( 0.029 7.143 -3.500) 7.954 3.477 ( -2.072 -0.293 -4.455) 4.921 3.691 ( -4.904 0.137 2.653) 5.578 3.745 ( -5.667 -5.466 -0.802) 7.915 4.200 ( 1.222 1.426 2.046) 2.777 4.263 ( -0.334 -3.675 1.435) 3.959 4.347 ( -0.440 1.571 1.709) 2.363 4.379 ( -0.673 -0.987 1.198) 1.692 5.286 ( -1.485 -0.699 2.422) 2.926 5.307 ( -1.062 -2.981 1.308) 3.424 5.799 ( 2.324 6.998 3.930) 8.356 5.840 ( 1.668 4.618 1.276) 5.073 5.941 ( 4.426 -0.822 -1.632) 4.789 6.048 ( 2.395 -8.552 -3.127) 9.416 7.400 ( -8.132 4.951 14.817) 17.612 7.485 ( -8.132 -3.273 15.602) 17.896 7.794 ( 6.885 10.272 -7.199) 14.308 7.989 ( 9.658 -9.433 -8.305) 15.850 8.400 ( -7.123 7.036 6.432) 11.901 8.518 ( -6.804 -4.592 4.282) 9.258 8.706 ( 0.515 6.041 -1.592) 6.269 8.815 ( 2.257 -4.981 -7.141) 8.995 9.621 ( -4.275 2.394 9.737) 10.900 9.738 ( 0.726 -8.865 4.248) 9.857 10.029 ( 2.359 0.765 2.470) 3.500 10.090 ( 3.182 -5.243 -0.642) 6.167 13.053 ( -0.689 8.711 6.700) 11.011 13.261 ( 0.175 -13.117 -0.892) 13.148 14.585 ( 4.361 3.314 12.782) 13.906 14.645 ( 4.659 -3.027 10.594) 11.963 15.338 ( -4.708 8.207 -13.534) 16.513 15.450 ( -4.333 -3.325 -16.005) 16.911 17.154 ( 1.331 3.678 -0.758) 3.984 17.206 ( -0.813 -1.863 -2.309) 3.076 17.589 ( -0.305 1.501 1.109) 1.891 17.613 ( 0.059 -1.121 0.105) 1.127 ======================= Grid point 172 (98/116) ======================= q-point: (-0.43 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -7.477 3.113 -2.214) 8.397 1.066 ( -4.727 -5.925 -5.022) 9.092 1.571 ( 5.413 5.323 -8.266) 11.223 1.668 ( 3.575 -4.322 -5.245) 7.679 1.817 ( -0.474 1.375 3.864) 4.129 1.844 ( -3.479 -0.739 3.646) 5.094 2.037 ( -1.898 5.331 -1.476) 5.848 2.123 ( -3.969 -2.929 -3.773) 6.211 2.236 ( -1.718 3.664 -3.378) 5.271 2.323 ( 2.922 -5.434 -5.084) 7.994 2.398 ( 2.850 7.694 3.033) 8.748 2.483 ( 2.101 0.549 1.913) 2.894 2.593 ( -1.612 3.567 0.137) 3.917 2.681 ( -3.966 -4.620 -3.210) 6.883 2.778 ( 2.348 -0.144 -3.485) 4.205 2.785 ( 2.224 -0.615 -6.252) 6.664 2.940 ( 2.927 2.873 -7.837) 8.845 3.014 ( 3.021 -3.774 -3.872) 6.193 3.383 ( 0.004 8.136 -0.489) 8.151 3.478 ( 4.696 -0.783 -5.939) 7.612 3.616 ( -2.744 0.905 3.451) 4.501 3.717 ( 2.442 -7.236 0.819) 7.681 4.226 ( -0.093 -1.182 3.219) 3.431 4.241 ( -1.819 -2.556 0.962) 3.281 4.319 ( -2.921 3.611 2.061) 5.081 4.381 ( 0.051 -2.420 1.340) 2.766 5.259 ( -1.547 1.787 2.375) 3.351 5.329 ( 1.719 -5.349 1.728) 5.878 5.813 ( -1.911 5.651 2.211) 6.362 5.847 ( -1.549 4.272 2.958) 5.422 5.954 ( -1.915 -0.844 -2.584) 3.326 6.049 ( -1.882 -7.284 -2.382) 7.891 7.360 ( -1.208 4.285 11.421) 12.258 7.429 ( -2.964 -2.788 14.157) 14.730 7.954 ( 12.087 11.267 -9.893) 19.259 8.148 ( 9.264 -7.734 -13.011) 17.746 8.277 ( -7.028 5.788 11.976) 15.044 8.406 ( -7.393 -6.744 9.381) 13.717 8.764 ( 6.207 6.361 -2.875) 9.341 8.853 ( 5.073 -2.606 -7.761) 9.631 9.409 ( -18.449 3.320 10.382) 21.428 9.590 ( -13.586 -14.073 7.316) 20.884 10.261 ( 14.919 1.122 -1.756) 15.064 10.304 ( 17.162 -3.557 -4.622) 18.126 13.036 ( -4.071 7.605 8.057) 11.804 13.230 ( -3.321 -12.725 0.118) 13.152 14.664 ( -1.852 2.103 11.083) 11.432 14.699 ( -3.949 -1.589 9.959) 10.831 15.262 ( 2.785 8.366 -12.444) 15.251 15.378 ( 4.154 -3.568 -14.524) 15.522 17.180 ( 1.319 2.877 -1.915) 3.699 17.216 ( 3.388 -0.701 -3.244) 4.743 17.583 ( -0.712 1.553 1.503) 2.275 17.611 ( -0.315 -1.246 0.317) 1.323 ======================= Grid point 173 (99/116) ======================= q-point: (-0.29 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -2.378 3.826 0.206) 4.509 0.977 ( -2.720 -6.920 -2.366) 7.803 1.562 ( -8.258 3.859 2.799) 9.535 1.621 ( -9.289 -1.447 1.544) 9.527 1.728 ( -4.569 3.792 -2.126) 6.307 1.818 ( 2.040 -5.158 -7.416) 9.261 1.963 ( 0.477 6.590 -4.078) 7.764 2.078 ( 1.459 -5.306 -3.100) 6.316 2.259 ( -0.298 8.429 2.886) 8.915 2.361 ( 0.734 -0.172 -1.056) 1.298 2.447 ( 0.837 -1.041 0.216) 1.353 2.496 ( -5.914 -4.365 -1.099) 7.432 2.520 ( -3.530 4.851 -4.601) 7.560 2.574 ( 0.545 0.723 -0.655) 1.118 2.715 ( -2.977 3.869 -5.364) 7.253 2.814 ( 1.363 -5.182 -4.486) 6.988 2.994 ( -2.198 3.554 -3.912) 5.725 3.041 ( 6.185 -0.547 -7.078) 9.415 3.439 ( 5.938 4.130 -3.884) 8.210 3.569 ( 7.667 -8.921 -3.918) 12.398 3.671 ( 5.618 9.032 5.244) 11.859 3.813 ( 6.332 -4.865 2.095) 8.256 4.185 ( -3.977 -0.855 0.121) 4.070 4.188 ( -5.515 -0.015 2.433) 6.028 4.301 ( 0.314 2.524 2.569) 3.615 4.396 ( 0.875 -5.370 2.582) 6.022 5.248 ( -0.615 4.307 2.974) 5.270 5.365 ( 0.715 -7.678 3.231) 8.361 5.767 ( -3.628 5.871 1.474) 7.057 5.789 ( -5.350 5.430 2.118) 7.912 5.889 ( -2.627 -3.622 -2.210) 4.990 5.950 ( -6.810 -6.051 -2.417) 9.425 7.438 ( 5.190 3.379 7.817) 9.973 7.487 ( 3.643 -1.584 10.916) 11.617 8.134 ( 3.508 7.570 -1.217) 8.431 8.168 ( 1.737 5.084 -1.067) 5.478 8.298 ( 1.793 -4.566 -0.905) 4.989 8.306 ( -1.307 -6.616 0.370) 6.754 8.828 ( -1.324 6.541 -1.624) 6.868 8.999 ( 6.344 -10.721 -4.066) 13.104 9.082 ( -11.295 12.579 5.195) 17.686 9.388 ( -7.165 -18.408 4.479) 20.255 10.502 ( 9.568 5.007 0.583) 10.815 10.600 ( 12.779 -5.660 -2.467) 14.192 12.967 ( -5.691 6.718 7.702) 11.697 13.140 ( -5.664 -11.367 0.719) 12.720 14.585 ( -7.979 2.077 2.458) 8.604 14.611 ( -6.865 -0.793 4.277) 8.127 15.340 ( 7.934 8.303 -4.780) 12.440 15.480 ( 9.214 -6.021 -7.069) 13.081 17.207 ( 2.578 5.193 -2.557) 6.337 17.282 ( 4.131 -2.202 -3.383) 5.776 17.574 ( -0.692 1.871 0.513) 2.059 17.603 ( -0.586 -0.983 -0.374) 1.204 ======================= Grid point 174 (100/116) ======================= q-point: (-0.14 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 0.195 2.223 0.539) 2.295 0.936 ( -0.952 -4.770 -3.172) 5.807 1.371 ( -9.356 2.221 9.147) 13.271 1.413 ( -8.641 -2.198 7.000) 11.336 1.704 ( 0.538 6.127 -5.815) 8.464 1.807 ( -0.186 -4.636 -8.913) 10.048 2.011 ( 3.405 5.668 -3.549) 7.504 2.088 ( -3.307 -2.133 -1.064) 4.077 2.186 ( -3.408 5.843 0.361) 6.774 2.248 ( -9.289 0.517 -0.400) 9.312 2.405 ( 0.514 4.300 0.018) 4.331 2.481 ( 2.319 -1.412 1.573) 3.138 2.528 ( 2.174 0.667 -4.710) 5.230 2.582 ( -0.267 -3.088 -5.149) 6.010 2.663 ( -0.525 4.752 -1.134) 4.914 2.797 ( -0.990 -8.223 -2.655) 8.697 2.956 ( 0.417 5.624 -6.179) 8.366 3.076 ( 1.116 -5.637 -6.627) 8.772 3.574 ( 9.308 5.796 -7.092) 13.058 3.706 ( 6.069 -7.022 -5.304) 10.690 3.807 ( 5.101 10.861 7.141) 13.963 3.949 ( 5.401 -1.823 3.513) 6.696 4.083 ( -5.005 0.398 3.191) 5.949 4.095 ( -4.643 -1.573 0.660) 4.947 4.320 ( 0.355 1.006 2.565) 2.778 4.424 ( 0.735 -7.305 1.502) 7.493 5.269 ( 1.865 4.805 3.859) 6.439 5.382 ( 0.003 -6.578 3.923) 7.659 5.642 ( -8.364 6.456 3.405) 11.101 5.698 ( -7.649 1.181 1.872) 7.962 5.823 ( -2.318 -2.327 -3.537) 4.827 5.855 ( -0.204 -4.909 -3.852) 6.243 7.600 ( 7.773 2.482 6.886) 10.677 7.633 ( 7.254 -0.715 7.654) 10.569 8.042 ( -8.556 5.506 5.953) 11.789 8.141 ( -8.313 -4.527 3.376) 10.050 8.352 ( 7.007 0.224 -1.210) 7.115 8.419 ( 7.063 -5.382 -3.974) 9.729 8.695 ( -10.973 6.002 -0.072) 12.508 8.761 ( -8.015 0.359 -7.592) 11.045 9.299 ( 14.127 -2.749 -2.364) 14.585 9.384 ( 3.470 -11.291 3.001) 12.187 10.607 ( -0.249 6.364 4.937) 8.058 10.721 ( -1.092 -5.838 1.966) 6.256 12.909 ( -2.396 5.885 6.117) 8.820 13.050 ( -2.951 -8.806 0.673) 9.311 14.437 ( -6.961 2.801 -0.749) 7.541 14.482 ( -6.570 -1.911 -0.818) 6.891 15.495 ( 8.141 7.332 0.135) 10.956 15.632 ( 7.776 -6.794 -3.255) 10.827 17.253 ( 2.706 5.633 -1.776) 6.497 17.331 ( 1.664 -2.219 -2.408) 3.673 17.556 ( -1.003 2.147 -1.254) 2.681 17.586 ( -0.438 -0.629 -2.469) 2.585 ======================= Grid point 196 (101/116) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -7.891 0.000 1.044) 7.960 1.052 ( 7.891 0.000 -1.044) 7.960 1.459 ( -6.490 0.000 0.268) 6.495 1.459 ( 6.490 0.000 -0.268) 6.495 1.527 ( 0.324 0.000 -3.140) 3.157 1.527 ( -0.324 0.000 3.140) 3.157 1.908 ( 1.653 0.000 -2.935) 3.369 1.908 ( -1.653 0.000 2.935) 3.369 1.972 ( 5.097 0.000 -9.678) 10.938 1.972 ( -5.097 0.000 9.678) 10.938 2.175 ( 3.729 0.000 -4.349) 5.729 2.175 ( -3.729 0.000 4.349) 5.729 2.532 ( 1.137 0.000 -3.038) 3.244 2.532 ( -1.137 0.000 3.038) 3.244 2.783 ( 3.214 0.000 -5.285) 6.185 2.783 ( -3.214 0.000 5.285) 6.185 3.057 ( -4.946 0.000 -2.224) 5.423 3.057 ( 4.946 0.000 2.224) 5.423 3.678 ( -1.274 0.000 -8.086) 8.186 3.678 ( 1.274 0.000 8.086) 8.186 3.779 ( 4.137 0.000 -7.550) 8.610 3.779 ( -4.137 0.000 7.550) 8.610 4.084 ( 5.174 0.000 -5.755) 7.739 4.084 ( -5.174 0.000 5.755) 7.739 4.625 ( 0.439 0.000 -2.288) 2.330 4.625 ( -0.439 0.000 2.288) 2.330 5.336 ( -3.831 0.000 1.096) 3.985 5.336 ( 3.831 0.000 -1.096) 3.985 5.469 ( -6.769 0.000 -3.213) 7.493 5.469 ( 6.769 0.000 3.213) 7.493 6.085 ( 0.405 0.000 -3.836) 3.858 6.085 ( -0.405 0.000 3.836) 3.858 7.672 ( -11.556 0.000 2.772) 11.883 7.672 ( 11.556 0.000 -2.772) 11.883 8.016 ( -3.668 0.000 -14.939) 15.382 8.016 ( 3.668 0.000 14.939) 15.382 8.423 ( 11.356 0.000 -5.987) 12.838 8.423 ( -11.356 0.000 5.987) 12.838 8.862 ( -14.397 0.000 3.431) 14.800 8.862 ( 14.397 0.000 -3.431) 14.800 9.941 ( -9.936 0.000 -0.008) 9.936 9.941 ( 9.936 0.000 0.008) 9.936 10.451 ( -20.484 0.000 -3.223) 20.736 10.451 ( 20.484 0.000 3.223) 20.736 13.042 ( 10.383 0.000 -18.862) 21.531 13.042 ( -10.383 0.000 18.862) 21.531 14.384 ( 0.252 0.000 -3.277) 3.286 14.384 ( -0.252 0.000 3.277) 3.286 15.668 ( -9.647 0.000 -5.265) 10.990 15.668 ( 9.647 0.000 5.265) 10.990 17.157 ( -7.989 0.000 2.258) 8.302 17.157 ( 7.989 0.000 -2.258) 8.302 17.421 ( 0.884 0.000 -2.349) 2.510 17.421 ( -0.884 0.000 2.349) 2.510 ======================= Grid point 198 (102/116) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 3.803 0.000 1.466) 4.076 1.226 ( 3.687 0.000 -3.664) 5.197 1.361 ( 0.323 0.000 3.651) 3.665 1.537 ( 2.860 0.000 -1.347) 3.161 1.539 ( 4.181 0.000 -8.781) 9.726 1.592 ( 6.468 0.000 -0.968) 6.540 1.894 ( -2.674 0.000 8.039) 8.472 1.959 ( 3.653 0.000 1.751) 4.051 1.999 ( 2.992 0.000 9.449) 9.912 2.084 ( 2.095 0.000 -1.433) 2.538 2.190 ( 10.629 0.000 -3.529) 11.200 2.253 ( 6.057 0.000 -4.170) 7.353 2.508 ( -2.329 0.000 2.103) 3.138 2.530 ( 0.035 0.000 -3.448) 3.448 2.712 ( -4.593 0.000 1.940) 4.986 2.756 ( -3.094 0.000 -6.626) 7.313 2.980 ( -0.928 0.000 -3.709) 3.823 3.119 ( -0.683 0.000 4.718) 4.767 3.568 ( -6.261 0.000 -8.585) 10.625 3.666 ( -5.525 0.000 5.196) 7.584 3.738 ( -3.124 0.000 9.791) 10.278 3.831 ( 4.019 0.000 -6.814) 7.911 4.064 ( 1.262 0.000 4.081) 4.272 4.185 ( 6.252 0.000 -5.084) 8.058 4.585 ( -3.324 0.000 -2.797) 4.345 4.594 ( -3.232 0.000 1.932) 3.766 5.294 ( -0.565 0.000 1.470) 1.575 5.398 ( 4.098 0.000 -5.788) 7.092 5.445 ( 3.685 0.000 5.248) 6.413 5.670 ( 11.155 0.000 4.619) 12.074 6.050 ( -2.123 0.000 -4.918) 5.357 6.061 ( -3.371 0.000 2.728) 4.336 7.453 ( -11.702 0.000 3.432) 12.195 7.836 ( -0.264 0.000 -5.859) 5.865 7.889 ( 3.670 0.000 -10.949) 11.547 8.083 ( -2.801 0.000 14.629) 14.895 8.162 ( -18.359 0.000 8.790) 20.355 8.600 ( 9.127 0.000 -4.538) 10.192 8.681 ( -3.374 0.000 -5.755) 6.671 9.097 ( 8.155 0.000 -12.275) 14.737 9.693 ( -13.960 0.000 6.481) 15.391 10.093 ( 5.963 0.000 0.661) 6.000 10.125 ( -10.024 0.000 5.677) 11.520 10.755 ( 5.047 0.000 12.325) 13.319 13.016 ( 0.602 0.000 19.316) 19.325 13.219 ( 14.769 0.000 -22.119) 26.597 14.404 ( 2.658 0.000 -1.161) 2.900 14.425 ( 2.765 0.000 6.436) 7.005 15.414 ( -13.682 0.000 -5.097) 14.601 15.773 ( -2.231 0.000 3.717) 4.335 16.989 ( -7.080 0.000 -0.299) 7.086 17.210 ( -0.048 0.000 -5.474) 5.474 17.456 ( 2.249 0.000 3.751) 4.373 17.494 ( 5.762 0.000 -0.978) 5.844 ======================= Grid point 199 (103/116) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 6.358 0.000 -1.818) 6.613 1.167 ( -0.865 0.000 -7.834) 7.881 1.427 ( 1.574 0.000 -2.643) 3.077 1.626 ( 3.280 0.000 6.993) 7.724 1.648 ( 7.212 0.000 -0.372) 7.222 1.697 ( 4.685 0.000 -2.071) 5.122 1.858 ( -2.503 0.000 3.678) 4.449 2.032 ( -0.584 0.000 8.616) 8.636 2.061 ( -1.912 0.000 1.621) 2.507 2.119 ( 7.453 0.000 1.237) 7.555 2.341 ( 2.833 0.000 -4.441) 5.267 2.434 ( 3.751 0.000 -2.651) 4.593 2.517 ( 10.847 0.000 0.081) 10.847 2.518 ( -0.335 0.000 1.232) 1.277 2.650 ( -0.999 0.000 -0.977) 1.397 2.729 ( 6.836 0.000 -9.941) 12.065 2.959 ( -0.181 0.000 -5.355) 5.358 3.083 ( -4.364 0.000 6.429) 7.770 3.389 ( -8.587 0.000 -7.741) 11.561 3.514 ( -12.229 0.000 6.061) 13.649 3.734 ( -1.080 0.000 9.422) 9.484 3.870 ( 2.194 0.000 -6.324) 6.693 4.142 ( 4.914 0.000 0.721) 4.967 4.253 ( 2.176 0.000 -2.669) 3.443 4.499 ( -3.826 0.000 -2.385) 4.508 4.527 ( -4.155 0.000 1.762) 4.513 5.335 ( 4.284 0.000 0.205) 4.289 5.509 ( 7.958 0.000 -2.520) 8.347 5.550 ( 4.145 0.000 5.479) 6.870 5.878 ( 6.117 0.000 3.996) 7.307 5.977 ( -2.075 0.000 -5.093) 5.500 5.990 ( -3.763 0.000 1.280) 3.975 7.279 ( -6.729 0.000 2.615) 7.220 7.659 ( -12.555 0.000 -4.957) 13.499 7.890 ( -5.866 0.000 -3.627) 6.897 8.018 ( 6.474 0.000 -2.720) 7.022 8.044 ( -6.306 0.000 13.869) 15.235 8.655 ( 2.419 0.000 -6.386) 6.829 8.664 ( -5.580 0.000 1.060) 5.679 8.943 ( -12.368 0.000 -5.606) 13.580 9.718 ( 12.785 0.000 0.563) 12.797 10.089 ( 2.017 0.000 6.168) 6.489 10.175 ( 2.167 0.000 0.818) 2.316 10.727 ( -11.515 0.000 11.921) 16.575 13.185 ( 6.546 0.000 23.651) 24.540 13.396 ( 12.326 0.000 -26.228) 28.980 14.477 ( 5.331 0.000 -0.112) 5.332 14.551 ( 7.279 0.000 9.866) 12.261 15.126 ( -13.568 0.000 -4.803) 14.393 15.585 ( -16.619 0.000 -1.158) 16.660 16.941 ( 1.483 0.000 1.719) 2.270 17.164 ( -1.927 0.000 -5.501) 5.829 17.517 ( 2.373 0.000 3.535) 4.257 17.577 ( 3.029 0.000 -1.874) 3.562 ======================= Grid point 200 (104/116) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 4.899 0.000 -4.508) 6.657 1.220 ( 2.513 0.000 -1.986) 3.203 1.435 ( 3.822 0.000 -11.352) 11.978 1.551 ( -12.320 0.000 15.652) 19.919 1.761 ( 3.631 0.000 4.410) 5.712 1.800 ( 2.914 0.000 -2.024) 3.548 1.882 ( 5.498 0.000 -7.297) 9.137 1.984 ( -6.937 0.000 9.457) 11.729 2.086 ( 4.953 0.000 2.948) 5.764 2.206 ( -2.118 0.000 -3.334) 3.950 2.347 ( 3.565 0.000 -5.543) 6.590 2.411 ( -3.356 0.000 3.654) 4.961 2.547 ( 2.097 0.000 3.772) 4.316 2.592 ( -0.624 0.000 -3.666) 3.719 2.817 ( 10.529 0.000 1.335) 10.614 2.924 ( -1.386 0.000 -5.281) 5.459 2.940 ( 15.852 0.000 -7.387) 17.489 3.047 ( -0.058 0.000 4.999) 4.999 3.195 ( -7.912 0.000 -6.631) 10.323 3.259 ( -16.174 0.000 7.974) 18.032 3.778 ( 2.112 0.000 7.646) 7.932 3.851 ( -1.713 0.000 -6.291) 6.520 4.229 ( 3.626 0.000 -1.049) 3.774 4.262 ( -0.345 0.000 0.047) 0.348 4.441 ( -1.031 0.000 -1.172) 1.561 4.459 ( -3.067 0.000 1.210) 3.298 5.445 ( 7.079 0.000 -2.456) 7.493 5.555 ( -4.392 0.000 4.928) 6.601 5.682 ( 7.859 0.000 0.563) 7.880 5.827 ( -6.314 0.000 -2.693) 6.864 5.980 ( 2.671 0.000 -0.906) 2.820 6.011 ( 0.730 0.000 1.754) 1.900 7.240 ( 2.580 0.000 0.394) 2.610 7.386 ( -12.402 0.000 1.442) 12.486 7.880 ( 6.470 0.000 -14.762) 16.118 7.965 ( -7.444 0.000 14.551) 16.344 8.149 ( 9.595 0.000 -4.319) 10.522 8.393 ( -17.824 0.000 7.205) 19.225 8.709 ( 4.637 0.000 -2.727) 5.379 8.798 ( -4.378 0.000 -2.452) 5.018 10.017 ( 16.066 0.000 -6.586) 17.363 10.175 ( -3.265 0.000 2.263) 3.972 10.204 ( 7.851 0.000 5.058) 9.339 10.468 ( -17.155 0.000 5.550) 18.030 13.384 ( 2.490 0.000 27.325) 27.438 13.465 ( 5.466 0.000 -28.346) 28.868 14.612 ( 8.603 0.000 -0.209) 8.605 14.744 ( 1.668 0.000 9.410) 9.557 14.915 ( 0.743 0.000 -2.736) 2.835 15.205 ( -19.416 0.000 -4.980) 20.044 17.013 ( 3.820 0.000 3.986) 5.521 17.097 ( -2.911 0.000 -5.035) 5.816 17.569 ( 1.628 0.000 2.946) 3.366 17.597 ( 0.050 0.000 -2.454) 2.454 ======================= Grid point 204 (105/116) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 2.035 -3.813 -3.489) 5.555 1.009 ( -2.035 -3.813 3.489) 5.555 1.489 ( -4.219 1.856 -3.147) 5.581 1.489 ( 4.219 1.856 3.147) 5.581 1.546 ( -0.955 2.200 -4.350) 4.967 1.546 ( 0.955 2.200 4.350) 4.967 1.882 ( 1.879 -0.265 -3.674) 4.135 1.882 ( -1.879 -0.265 3.674) 4.135 2.027 ( 4.271 3.340 -6.892) 8.769 2.027 ( -4.271 3.340 6.892) 8.769 2.213 ( -1.217 4.155 -2.345) 4.923 2.213 ( 1.217 4.155 2.345) 4.923 2.528 ( 1.031 -0.403 -2.302) 2.554 2.528 ( -1.031 -0.403 2.302) 2.554 2.793 ( 1.608 0.383 -3.752) 4.100 2.793 ( -1.608 0.383 3.752) 4.100 3.052 ( -2.292 -0.456 -3.319) 4.059 3.052 ( 2.292 -0.456 3.319) 4.059 3.657 ( -0.547 -2.310 -3.618) 4.327 3.657 ( 0.547 -2.310 3.618) 4.327 3.799 ( 3.889 2.852 -7.899) 9.255 3.799 ( -3.889 2.852 7.899) 9.255 4.077 ( 5.453 -0.738 -5.727) 7.942 4.077 ( -5.453 -0.738 5.727) 7.942 4.608 ( 0.461 -2.032 -2.869) 3.546 4.608 ( -0.461 -2.032 2.869) 3.546 5.362 ( -1.314 2.411 -2.520) 3.727 5.362 ( 1.314 2.411 2.520) 3.727 5.468 ( -5.748 0.066 -1.788) 6.020 5.468 ( 5.748 0.066 1.788) 6.020 6.034 ( 1.938 -4.991 -4.310) 6.873 6.034 ( -1.938 -4.991 4.310) 6.873 7.700 ( -10.341 2.951 1.684) 10.885 7.700 ( 10.341 2.951 -1.684) 10.885 8.001 ( -3.661 -1.548 -14.173) 14.720 8.001 ( 3.661 -1.548 14.173) 14.720 8.443 ( 3.813 1.981 -5.537) 7.009 8.443 ( -3.813 1.981 5.537) 7.009 8.796 ( -1.706 -6.522 -1.302) 6.866 8.796 ( 1.706 -6.522 1.302) 6.866 9.819 ( -10.928 -10.620 0.021) 15.238 9.819 ( 10.928 -10.620 -0.021) 15.238 10.529 ( -13.774 6.117 -3.851) 15.556 10.529 ( 13.774 6.117 3.851) 15.556 13.039 ( 8.474 -0.390 -16.486) 18.540 13.039 ( -8.474 -0.390 16.486) 18.540 14.374 ( -0.453 -0.900 -3.323) 3.472 14.374 ( 0.453 -0.900 3.323) 3.472 15.661 ( -6.364 -0.532 -6.955) 9.442 15.661 ( 6.364 -0.532 6.955) 9.442 17.178 ( -4.060 2.166 -1.928) 4.990 17.178 ( 4.060 2.166 1.928) 4.990 17.451 ( -0.212 2.744 -1.894) 3.341 17.451 ( 0.212 2.744 1.894) 3.341 ======================= Grid point 206 (106/116) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 2.840 -3.567 1.744) 4.881 1.180 ( 6.848 -4.182 -4.570) 9.235 1.404 ( -0.079 3.819 2.137) 4.377 1.534 ( 3.054 -0.076 -6.591) 7.265 1.574 ( 3.241 2.295 -0.775) 4.047 1.620 ( 5.749 2.809 -1.012) 6.478 1.837 ( -1.762 -3.530 6.590) 7.681 1.995 ( 2.924 1.962 2.247) 4.177 2.026 ( 1.460 3.528 8.647) 9.453 2.131 ( 4.669 3.855 -3.893) 7.198 2.208 ( 7.956 2.257 -2.894) 8.762 2.289 ( 4.365 3.340 0.431) 5.513 2.501 ( -2.167 -0.612 1.161) 2.533 2.525 ( 0.005 -0.348 -3.318) 3.337 2.698 ( -4.598 -1.117 -1.052) 4.847 2.793 ( -2.461 3.429 -3.411) 5.427 2.996 ( -1.277 0.115 -2.823) 3.101 3.092 ( -1.305 -2.315 4.937) 5.607 3.551 ( -5.226 -3.267 -3.644) 7.160 3.648 ( -3.916 1.675 -3.757) 5.679 3.776 ( -2.282 3.168 8.125) 9.014 3.880 ( 4.223 3.990 -3.547) 6.807 4.015 ( -1.049 -4.492 4.304) 6.309 4.167 ( 5.298 -1.787 -3.838) 6.782 4.570 ( -2.753 -2.349 -1.710) 4.002 4.581 ( -3.348 -1.069 0.676) 3.579 5.294 ( -1.559 -0.157 -1.398) 2.100 5.428 ( 4.749 3.153 -2.415) 6.191 5.471 ( 3.815 2.496 4.333) 6.290 5.657 ( 10.434 -1.547 4.193) 11.351 5.943 ( -5.885 -6.983 2.033) 9.355 6.078 ( 1.696 -1.657 -3.568) 4.284 7.484 ( -11.214 3.297 2.382) 11.928 7.828 ( -2.773 -0.779 -7.538) 8.069 7.918 ( 6.702 3.159 -7.518) 10.556 8.063 ( -4.565 -1.906 14.021) 14.868 8.187 ( -16.974 2.517 9.315) 19.525 8.600 ( 6.924 -1.948 -4.038) 8.249 8.644 ( 0.523 -2.127 -4.912) 5.379 9.067 ( 11.885 -2.958 -13.348) 18.115 9.546 ( -14.817 -12.094 6.105) 20.077 9.945 ( 2.448 -9.856 1.520) 10.268 10.305 ( -6.750 10.533 3.970) 13.125 10.738 ( 1.780 -1.656 11.743) 11.992 13.000 ( 0.699 -1.249 13.162) 13.239 13.211 ( 12.813 -1.260 -15.800) 20.381 14.388 ( 3.174 -0.766 -0.334) 3.282 14.435 ( 3.822 0.503 5.173) 6.451 15.433 ( -12.520 1.922 -5.532) 13.822 15.739 ( -2.871 -3.114 2.703) 5.024 17.023 ( -6.404 3.555 -0.147) 7.327 17.243 ( -0.106 2.938 -3.154) 4.312 17.469 ( 2.557 1.417 2.060) 3.576 17.516 ( 4.301 1.971 -0.219) 4.736 ======================= Grid point 207 (107/116) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 2.520 -5.909 -4.468) 7.824 1.224 ( 2.973 1.206 -5.065) 5.996 1.447 ( 1.253 1.458 -2.119) 2.861 1.648 ( 7.867 1.497 1.974) 8.248 1.668 ( 5.654 1.928 2.404) 6.439 1.717 ( 3.414 1.868 0.154) 3.895 1.828 ( -0.560 -2.371 3.684) 4.417 1.983 ( -4.361 -0.259 5.941) 7.375 2.128 ( 6.718 3.639 0.730) 7.675 2.171 ( -0.417 4.549 1.847) 4.927 2.342 ( 2.233 0.608 -2.817) 3.646 2.411 ( 3.646 -1.843 -3.399) 5.315 2.491 ( 2.261 -0.997 3.836) 4.562 2.549 ( 6.404 1.590 -0.868) 6.655 2.671 ( 3.256 0.495 -2.355) 4.048 2.739 ( 1.792 2.522 -6.084) 6.825 2.952 ( -2.466 -1.901 -3.861) 4.960 3.052 ( -3.874 -2.877 5.692) 7.462 3.412 ( -7.518 1.916 -6.695) 10.248 3.519 ( -9.173 1.510 2.350) 9.589 3.760 ( -2.058 2.545 6.672) 7.432 3.878 ( -1.155 -1.189 -3.446) 3.825 4.098 ( 6.661 -1.984 -0.111) 6.951 4.250 ( 4.238 -1.380 -1.169) 4.608 4.493 ( -4.572 -0.495 -1.691) 4.900 4.505 ( -4.131 -2.366 0.789) 4.826 5.308 ( 3.422 -2.251 -1.322) 4.304 5.549 ( 7.310 3.843 -1.324) 8.364 5.577 ( 4.304 2.620 4.837) 6.985 5.755 ( -4.514 -10.746 1.351) 11.733 5.930 ( 6.148 0.251 4.602) 7.684 6.077 ( 0.153 2.051 -4.890) 5.305 7.317 ( -6.079 4.045 1.233) 7.405 7.677 ( -10.875 1.821 -3.129) 11.462 7.875 ( -6.884 -1.169 -3.308) 7.726 8.017 ( -1.982 0.383 6.395) 6.706 8.080 ( 1.845 3.309 4.921) 6.210 8.631 ( 3.121 -2.567 -6.170) 7.376 8.708 ( -2.447 3.802 0.157) 4.524 8.934 ( -13.856 -0.608 -4.452) 14.567 9.587 ( 14.920 -11.363 -1.778) 18.838 9.997 ( 3.490 -8.462 3.460) 9.786 10.260 ( -1.773 5.883 3.796) 7.222 10.668 ( -12.624 -5.563 11.729) 18.107 13.144 ( 6.916 -3.514 15.280) 17.136 13.367 ( 9.168 -3.386 -17.299) 19.869 14.493 ( 7.580 1.830 -0.705) 7.829 14.565 ( 7.207 1.343 9.100) 11.686 15.163 ( -12.710 3.530 -5.403) 14.254 15.557 ( -15.331 -2.660 -1.357) 15.619 16.974 ( 0.836 3.415 1.563) 3.847 17.196 ( -2.708 2.804 -3.648) 5.339 17.529 ( 2.437 1.153 2.366) 3.587 17.584 ( 2.531 0.646 -1.197) 2.873 ======================= Grid point 208 (108/116) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 6.686 -5.561 -4.230) 9.670 1.217 ( -3.665 -2.553 -1.614) 4.750 1.484 ( 6.239 3.744 -8.424) 11.131 1.615 ( -10.403 3.943 13.367) 17.391 1.794 ( 3.974 1.173 3.739) 5.581 1.808 ( 5.217 0.115 -4.484) 6.880 1.889 ( 3.861 3.363 -3.846) 6.404 1.924 ( -3.742 -0.694 7.642) 8.537 2.147 ( 1.209 3.725 0.485) 3.946 2.222 ( -1.818 1.323 -1.142) 2.522 2.336 ( 2.763 -0.785 -4.609) 5.431 2.391 ( -2.639 -1.689 1.430) 3.444 2.563 ( 3.132 1.380 4.329) 5.518 2.621 ( -0.607 2.520 -3.189) 4.109 2.764 ( 6.038 -4.523 2.207) 7.861 2.871 ( -4.172 -4.980 -3.681) 7.467 2.935 ( 15.400 -1.072 -3.607) 15.853 3.040 ( 1.647 -0.562 2.458) 3.012 3.234 ( -6.715 4.071 -6.460) 10.168 3.298 ( -14.386 3.375 5.959) 15.933 3.776 ( 1.677 -0.347 3.874) 4.235 3.833 ( -2.224 -2.355 -3.312) 4.633 4.228 ( 6.567 1.320 -0.955) 6.766 4.305 ( 0.233 2.229 0.321) 2.264 4.407 ( -2.594 -2.730 0.484) 3.797 4.433 ( -3.267 -2.777 -0.575) 4.326 5.404 ( 6.976 -3.947 -2.177) 8.305 5.544 ( -7.705 -2.661 3.320) 8.802 5.680 ( 4.897 0.793 -0.713) 5.012 5.720 ( 0.405 -4.772 1.319) 4.968 6.043 ( 1.962 2.351 5.502) 6.297 6.064 ( 0.970 3.926 -6.050) 7.277 7.285 ( 3.171 4.720 -1.285) 5.830 7.429 ( -12.227 4.372 3.587) 13.472 7.857 ( 6.409 -1.982 -15.277) 16.685 7.944 ( -7.720 -1.728 14.651) 16.651 8.202 ( 9.488 4.869 -2.953) 11.065 8.447 ( -17.402 4.884 5.533) 18.902 8.703 ( 4.882 -0.530 -2.438) 5.483 8.792 ( -3.989 -0.540 -2.266) 4.619 9.915 ( 18.339 -8.997 -7.436) 21.739 10.086 ( 1.001 -7.389 4.662) 8.794 10.235 ( -0.400 0.595 3.169) 3.249 10.405 ( -15.984 -6.202 5.336) 17.956 13.325 ( 4.288 -5.249 16.791) 18.107 13.413 ( 2.350 -5.201 -17.345) 18.260 14.655 ( 9.259 4.124 -0.895) 10.176 14.765 ( 4.351 1.994 9.270) 10.433 14.952 ( -1.600 3.589 -3.877) 5.520 15.205 ( -18.269 -0.071 -4.011) 18.704 17.035 ( 3.722 2.234 3.009) 5.282 17.121 ( -3.568 2.157 -3.553) 5.478 17.577 ( 1.583 0.717 2.031) 2.673 17.601 ( -0.044 0.419 -1.702) 1.753 ======================= Grid point 212 (109/116) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 5.116 -4.045 -5.035) 8.240 0.930 ( -5.116 -4.045 5.035) 8.240 1.512 ( -0.866 0.891 -4.871) 5.027 1.512 ( 0.866 0.891 4.871) 5.027 1.590 ( -0.780 1.697 -6.978) 7.224 1.590 ( 0.780 1.697 6.978) 7.224 1.920 ( -5.212 3.481 -0.131) 6.269 1.920 ( 5.212 3.481 0.131) 6.269 2.083 ( 4.156 3.178 -3.786) 6.458 2.083 ( -4.156 3.178 3.786) 6.458 2.325 ( -2.645 7.017 -2.540) 7.918 2.325 ( 2.645 7.017 2.540) 7.918 2.517 ( 1.242 -0.697 -1.798) 2.294 2.517 ( -1.242 -0.697 1.798) 2.294 2.776 ( -0.848 -1.978 -3.318) 3.955 2.776 ( 0.848 -1.978 3.318) 3.955 3.022 ( -0.741 -3.765 -5.986) 7.111 3.022 ( 0.741 -3.765 5.986) 7.111 3.620 ( -8.271 -0.809 -0.528) 8.327 3.620 ( 8.271 -0.809 0.528) 8.327 3.888 ( -0.195 6.203 -6.835) 9.232 3.888 ( 0.195 6.203 6.835) 9.232 4.064 ( 3.831 -0.180 -4.833) 6.170 4.064 ( -3.831 -0.180 4.833) 6.170 4.534 ( -0.212 -5.928 -3.468) 6.872 4.534 ( 0.212 -5.928 3.468) 6.872 5.397 ( -4.781 0.405 -4.637) 6.673 5.397 ( 4.781 0.405 4.637) 6.673 5.497 ( -2.127 3.718 -1.182) 4.443 5.497 ( 2.127 3.718 1.182) 4.443 5.916 ( 3.577 -6.882 -4.360) 8.897 5.916 ( -3.577 -6.882 4.360) 8.897 7.781 ( -9.222 5.312 -0.067) 10.643 7.781 ( 9.222 5.312 0.067) 10.643 7.964 ( -3.629 -2.040 -10.783) 11.559 7.964 ( 3.629 -2.040 10.783) 11.559 8.491 ( -2.510 2.482 -3.339) 4.859 8.491 ( 2.510 2.482 3.339) 4.859 8.642 ( 12.721 -8.586 -7.232) 16.966 8.642 ( -12.721 -8.586 7.232) 16.966 9.607 ( -10.282 -10.474 1.778) 14.785 9.607 ( 10.282 -10.474 -1.778) 14.785 10.630 ( -6.681 4.052 -2.924) 8.343 10.630 ( 6.681 4.052 2.924) 8.343 13.026 ( 4.545 -0.879 -10.703) 11.661 13.026 ( -4.545 -0.879 10.703) 11.661 14.357 ( -0.910 -0.689 -2.885) 3.103 14.357 ( 0.910 -0.689 2.885) 3.103 15.653 ( -2.777 -0.225 -6.696) 7.253 15.653 ( 2.777 -0.225 6.696) 7.253 17.234 ( -3.709 3.316 -2.208) 5.443 17.234 ( 3.709 3.316 2.208) 5.443 17.503 ( -0.091 2.257 -1.508) 2.716 17.503 ( 0.091 2.257 1.508) 2.716 ======================= Grid point 214 (110/116) ======================= q-point: ( 0.14 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 2.106 -2.679 1.290) 3.644 1.084 ( 9.048 -5.750 -6.805) 12.698 1.481 ( 0.319 3.702 0.661) 3.774 1.531 ( 2.877 -0.159 -5.801) 6.477 1.596 ( 3.956 0.296 -0.426) 3.990 1.671 ( 3.349 0.721 4.335) 5.525 1.824 ( -3.893 3.773 2.632) 6.027 2.042 ( -1.528 2.228 5.182) 5.845 2.090 ( 8.883 2.679 2.897) 9.720 2.212 ( 7.642 3.552 -3.045) 8.960 2.281 ( 0.993 6.280 -1.166) 6.464 2.377 ( 0.685 5.672 4.128) 7.048 2.489 ( -1.383 -0.233 0.818) 1.624 2.517 ( 0.002 -0.815 -3.169) 3.272 2.678 ( -4.315 -0.680 -1.269) 4.549 2.844 ( 2.266 -0.101 -1.434) 2.683 2.961 ( -2.776 -2.755 -4.256) 5.780 3.035 ( -2.807 -3.732 5.198) 6.987 3.477 ( -4.693 -2.902 -1.090) 5.625 3.746 ( 2.518 4.252 -3.442) 6.022 3.787 ( -5.663 -0.676 0.159) 5.706 3.957 ( -7.290 1.106 2.086) 7.663 3.987 ( 6.518 6.870 0.693) 9.496 4.125 ( 3.363 -2.394 -1.044) 4.258 4.488 ( -2.475 -6.194 -2.334) 7.066 4.536 ( -1.701 -4.060 1.052) 4.526 5.293 ( -2.753 0.472 -3.563) 4.528 5.487 ( 3.969 -0.716 1.955) 4.482 5.528 ( 4.518 4.885 0.852) 6.708 5.631 ( 6.505 0.815 3.452) 7.409 5.829 ( -2.861 -4.524 4.321) 6.880 6.000 ( 4.465 -6.192 -4.343) 8.782 7.576 ( -9.766 6.065 -0.233) 11.499 7.810 ( -4.016 -1.092 -7.219) 8.333 8.003 ( 8.553 5.143 -3.259) 10.499 8.029 ( -4.057 -0.982 12.450) 13.131 8.237 ( -17.468 1.838 10.779) 20.608 8.491 ( 2.205 -7.092 -4.826) 8.857 8.641 ( 7.659 0.530 -1.938) 7.918 8.992 ( 20.523 -5.321 -13.430) 25.097 9.337 ( -17.890 -7.742 4.033) 19.906 9.719 ( 3.108 -13.249 -2.117) 13.772 10.478 ( -8.209 7.349 5.281) 12.219 10.699 ( -3.925 -2.305 10.376) 11.330 12.986 ( 0.995 0.093 4.850) 4.952 13.161 ( 8.764 -3.929 -8.154) 12.599 14.388 ( 5.022 0.800 0.053) 5.086 14.439 ( 5.445 -0.125 4.850) 7.292 15.482 ( -10.132 3.077 -5.724) 12.037 15.673 ( -4.335 -3.564 0.687) 5.654 17.115 ( -5.162 5.710 0.436) 7.709 17.293 ( -0.461 1.674 -0.069) 1.738 17.505 ( 2.040 2.176 0.637) 3.050 17.552 ( 2.790 1.429 -0.129) 3.138 ======================= Grid point 215 (111/116) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 2.637 -2.431 -5.109) 6.243 1.181 ( 3.900 -5.447 -7.481) 10.042 1.468 ( -1.034 1.112 -0.359) 1.561 1.634 ( 1.676 -4.031 6.818) 8.095 1.709 ( 6.624 2.471 4.483) 8.372 1.767 ( 5.247 4.803 -2.055) 7.404 1.816 ( 6.481 0.703 -2.795) 7.093 2.026 ( -2.688 2.777 6.546) 7.602 2.223 ( 2.352 5.127 4.855) 7.442 2.242 ( 0.386 3.230 -5.125) 6.070 2.376 ( -1.001 2.251 3.290) 4.110 2.403 ( 3.843 3.069 -4.492) 6.661 2.481 ( 1.329 -0.238 2.967) 3.260 2.566 ( 4.621 0.419 2.505) 5.273 2.640 ( 4.885 -2.952 -3.497) 6.694 2.843 ( -3.258 6.415 -0.689) 7.228 2.878 ( -3.969 -4.410 -3.449) 6.863 2.987 ( -1.063 -3.394 2.947) 4.619 3.417 ( -2.794 -1.891 -1.702) 3.779 3.594 ( -11.065 4.271 -0.741) 11.884 3.777 ( -0.547 -5.983 -2.748) 6.606 3.814 ( -5.921 2.063 0.839) 6.326 4.137 ( 7.981 5.261 -0.097) 9.559 4.201 ( 4.284 -2.925 0.962) 5.276 4.427 ( -2.868 -5.407 -2.439) 6.588 4.481 ( -4.094 -1.585 0.782) 4.459 5.271 ( 1.468 -1.059 -2.399) 3.006 5.539 ( -2.488 -9.744 1.941) 10.242 5.644 ( 6.292 5.854 0.114) 8.595 5.663 ( 1.126 5.164 2.863) 6.011 5.930 ( 7.567 -0.927 5.761) 9.556 6.053 ( 3.015 -4.382 -5.299) 7.508 7.430 ( -4.211 7.584 -2.164) 8.940 7.716 ( -4.651 1.527 -3.320) 5.915 7.860 ( -10.648 0.043 2.098) 10.853 8.022 ( -8.678 -0.520 12.892) 15.550 8.171 ( 6.760 6.249 -1.804) 9.381 8.556 ( 5.414 -5.247 -6.091) 9.692 8.766 ( 3.575 1.730 -0.804) 4.052 8.946 ( -18.611 1.901 0.548) 18.716 9.366 ( 19.813 -10.066 -7.938) 23.599 9.781 ( 5.534 -13.675 -0.805) 14.775 10.353 ( -7.885 3.706 6.994) 11.172 10.550 ( -15.135 -6.004 11.435) 19.897 13.087 ( 6.216 -1.839 5.738) 8.657 13.270 ( 5.382 -6.241 -8.232) 11.648 14.543 ( 10.356 3.037 0.093) 10.792 14.593 ( 8.105 1.357 7.349) 11.025 15.246 ( -11.307 4.917 -6.061) 13.739 15.496 ( -13.015 -3.563 -1.969) 13.637 17.062 ( -0.610 5.515 1.370) 5.715 17.243 ( -3.665 1.526 -0.710) 4.033 17.555 ( 2.283 1.490 0.508) 2.773 17.597 ( 1.623 0.471 -0.207) 1.703 ======================= Grid point 216 (112/116) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 6.899 -2.691 -5.028) 8.951 1.148 ( -5.405 -4.387 -1.211) 7.066 1.496 ( 5.590 -2.224 -6.804) 9.082 1.593 ( -7.018 -5.116 11.053) 14.057 1.815 ( 2.867 3.079 2.758) 5.031 1.848 ( 1.663 3.558 -2.189) 4.497 1.991 ( 7.667 5.048 0.028) 9.179 2.023 ( 1.002 6.412 4.383) 7.831 2.198 ( -0.378 1.717 -6.468) 6.703 2.241 ( -2.991 0.756 2.158) 3.764 2.356 ( -0.966 4.163 2.476) 4.939 2.378 ( -1.218 1.745 -4.648) 5.112 2.585 ( 5.617 0.423 3.727) 6.754 2.633 ( 3.966 -2.235 1.475) 4.786 2.721 ( -5.622 1.631 1.509) 6.045 2.760 ( -5.529 -5.978 -2.346) 8.474 2.894 ( 13.265 -2.904 -1.077) 13.622 3.032 ( 1.694 -0.651 -0.073) 1.816 3.319 ( -4.837 3.110 -3.125) 6.545 3.366 ( -10.949 4.143 2.590) 11.990 3.746 ( 1.277 -3.449 -4.565) 5.863 3.771 ( -2.061 -2.799 2.912) 4.534 4.278 ( 6.276 2.435 0.092) 6.733 4.286 ( 4.217 -2.460 0.761) 4.941 4.360 ( -3.135 -4.532 -2.047) 5.879 4.393 ( -5.294 0.847 0.898) 5.436 5.324 ( 4.787 -3.674 -2.115) 6.395 5.432 ( -6.932 -7.031 2.113) 10.097 5.728 ( 2.850 4.376 1.342) 5.392 5.740 ( 2.329 5.007 0.067) 5.523 6.055 ( 2.502 -1.522 5.565) 6.289 6.079 ( 1.733 -2.464 -5.747) 6.488 7.415 ( 4.250 8.530 -5.228) 10.870 7.545 ( -11.260 7.481 8.048) 15.733 7.811 ( 6.112 -2.983 -15.297) 16.741 7.905 ( -8.982 -2.639 15.736) 18.310 8.312 ( 9.456 6.353 -2.622) 11.690 8.532 ( -12.543 2.764 1.658) 12.951 8.699 ( 2.160 0.686 -0.728) 2.380 8.778 ( -3.500 -0.901 -1.034) 3.759 9.735 ( 20.603 -8.467 -9.180) 24.093 9.911 ( 4.155 -10.384 2.195) 11.397 10.215 ( -8.235 -2.443 5.186) 10.034 10.264 ( -14.663 -7.389 5.815) 17.419 13.224 ( 4.607 -4.531 6.682) 9.295 13.295 ( 0.260 -6.295 -7.304) 9.646 14.744 ( 9.738 4.590 -0.019) 10.766 14.807 ( 8.180 2.028 7.261) 11.124 15.036 ( -5.289 4.739 -4.974) 8.670 15.199 ( -15.432 -0.636 -2.659) 15.672 17.092 ( 2.666 3.422 1.553) 4.608 17.164 ( -3.943 1.934 -1.235) 4.562 17.592 ( 1.337 0.757 0.433) 1.596 17.609 ( -0.162 0.278 -0.405) 0.517 ======================= Grid point 220 (113/116) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 2.504 -1.810 -2.445) 3.941 0.871 ( -2.504 -1.810 2.445) 3.941 1.525 ( 0.045 0.359 -1.895) 1.929 1.525 ( -0.045 0.359 1.895) 1.929 1.609 ( -0.335 0.461 -2.617) 2.678 1.609 ( 0.335 0.461 2.617) 2.678 1.971 ( -2.059 1.383 -0.402) 2.513 1.971 ( 2.059 1.383 0.402) 2.513 2.156 ( 2.708 3.370 -1.897) 4.721 2.156 ( -2.708 3.370 1.897) 4.721 2.429 ( -1.264 1.917 -0.933) 2.479 2.429 ( 1.264 1.917 0.933) 2.479 2.519 ( 0.250 1.688 -1.998) 2.628 2.519 ( -0.250 1.688 1.998) 2.628 2.751 ( 2.266 0.332 -4.841) 5.355 2.751 ( -2.266 0.332 4.841) 5.355 2.908 ( 0.219 -6.482 -5.945) 8.798 2.908 ( -0.219 -6.482 5.945) 8.798 3.620 ( -4.376 0.219 -0.321) 4.393 3.620 ( 4.376 0.219 0.321) 4.393 4.001 ( -2.147 3.434 -2.463) 4.740 4.001 ( 2.147 3.434 2.463) 4.740 4.094 ( -0.251 3.876 -2.420) 4.576 4.094 ( 0.251 3.876 2.420) 4.576 4.398 ( -1.199 -6.841 -2.426) 7.357 4.398 ( 1.199 -6.841 2.426) 7.357 5.390 ( -2.298 -0.495 -1.697) 2.899 5.390 ( 2.298 -0.495 1.697) 2.899 5.584 ( -1.118 4.114 -0.680) 4.317 5.584 ( 1.118 4.114 0.680) 4.317 5.797 ( 2.116 -4.685 -2.422) 5.682 5.797 ( -2.116 -4.685 2.422) 5.682 7.880 ( -7.537 4.056 -1.534) 8.695 7.880 ( 7.537 4.056 1.534) 8.695 7.932 ( -4.400 -1.271 -5.220) 6.944 7.932 ( 4.400 -1.271 5.220) 6.944 8.466 ( -2.211 -4.286 -0.753) 4.881 8.466 ( 2.211 -4.286 0.753) 4.881 8.565 ( 8.946 0.701 -6.015) 10.803 8.565 ( -8.946 0.701 6.015) 10.803 9.458 ( -3.946 -4.460 1.153) 6.066 9.458 ( 3.946 -4.460 -1.153) 6.066 10.680 ( -1.953 1.223 -1.027) 2.522 10.680 ( 1.953 1.223 1.027) 2.522 13.011 ( 1.288 -0.518 -3.645) 3.900 13.011 ( -1.288 -0.518 3.645) 3.900 14.349 ( -0.406 -0.165 -1.174) 1.253 14.349 ( 0.406 -0.165 1.174) 1.253 15.652 ( -0.773 0.019 -2.680) 2.790 15.652 ( 0.773 0.019 2.680) 2.790 17.287 ( -1.392 1.761 -1.000) 2.458 17.287 ( 1.392 1.761 1.000) 2.458 17.529 ( 0.141 0.558 -0.848) 1.025 17.529 ( -0.141 0.558 0.848) 1.025 ======================= Grid point 222 (114/116) ======================= q-point: ( 0.14 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 4.141 1.626 -2.167) 4.948 0.974 ( 7.428 -5.314 -6.347) 11.122 1.525 ( 1.009 0.871 -2.256) 2.620 1.531 ( 3.356 0.042 -5.362) 6.325 1.612 ( 1.518 1.855 3.233) 4.025 1.652 ( 2.115 -1.897 4.854) 5.624 1.941 ( -2.347 6.488 2.543) 7.353 2.033 ( 0.772 -2.972 3.942) 4.997 2.164 ( 4.095 4.788 2.206) 6.676 2.235 ( 6.377 -1.580 -0.896) 6.631 2.396 ( -2.191 4.471 1.717) 5.267 2.453 ( 0.476 -0.463 3.917) 3.973 2.500 ( -0.948 1.169 -3.343) 3.666 2.519 ( 0.227 1.672 -1.502) 2.259 2.705 ( -2.647 4.700 0.931) 5.474 2.792 ( 2.412 -3.596 -3.949) 5.861 2.897 ( 1.128 -2.307 -0.509) 2.618 2.950 ( 1.174 -5.954 3.066) 6.799 3.490 ( -7.351 4.719 0.136) 8.736 3.625 ( -4.142 -8.410 1.180) 9.448 3.936 ( -4.377 7.479 -2.827) 9.115 3.997 ( -6.700 1.218 -1.576) 6.990 4.093 ( 3.978 1.250 0.556) 4.207 4.123 ( 3.949 3.665 -0.642) 5.426 4.368 ( -0.876 -3.726 -1.911) 4.278 4.428 ( 0.490 -6.730 1.216) 6.856 5.324 ( -2.608 2.969 -2.521) 4.688 5.406 ( -0.463 -5.303 -0.294) 5.331 5.641 ( 5.590 5.829 2.499) 8.454 5.694 ( 7.268 3.081 3.069) 8.469 5.767 ( 0.186 -0.986 2.192) 2.411 5.862 ( 4.146 -7.648 -2.719) 9.114 7.696 ( -7.629 5.875 -3.133) 10.126 7.778 ( -5.182 -2.698 -5.480) 8.010 8.031 ( -2.222 2.047 11.119) 11.522 8.076 ( 4.530 -0.203 4.733) 6.555 8.259 ( -9.863 3.054 4.450) 11.243 8.366 ( -0.525 -6.423 -3.256) 7.220 8.691 ( 9.520 5.751 -1.318) 11.200 8.846 ( 15.737 -9.299 -5.478) 19.083 9.310 ( -8.906 4.672 -3.664) 10.704 9.474 ( -0.077 -11.645 -5.125) 12.723 10.586 ( -8.565 4.277 7.080) 11.908 10.651 ( -7.453 -2.793 8.784) 11.854 13.010 ( 2.330 2.492 -0.505) 3.449 13.077 ( 4.970 -4.360 -4.048) 7.752 14.410 ( 6.435 1.299 1.916) 6.838 14.431 ( 6.522 -0.752 3.806) 7.588 15.544 ( -7.878 3.376 -4.338) 9.606 15.608 ( -6.015 -3.326 -1.809) 7.107 17.223 ( -3.756 5.104 1.029) 6.420 17.292 ( -2.000 -1.918 1.082) 2.974 17.543 ( 1.948 1.647 0.069) 2.552 17.563 ( 2.161 -0.312 -0.185) 2.192 ======================= Grid point 223 (115/116) ======================= q-point: ( 0.29 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 3.513 2.936 -7.390) 8.693 1.054 ( 4.038 -6.756 -9.262) 12.155 1.500 ( -3.340 2.210 3.720) 5.466 1.554 ( -2.918 -3.596 7.081) 8.461 1.759 ( 11.790 2.435 -0.754) 12.063 1.795 ( 11.887 -1.228 -2.361) 12.182 1.899 ( -1.832 6.749 0.775) 7.036 2.015 ( -2.547 -4.338 2.737) 5.727 2.276 ( 3.427 3.585 3.137) 5.868 2.334 ( -1.669 0.042 0.514) 1.747 2.392 ( 3.712 4.119 2.316) 6.009 2.467 ( -0.163 -1.829 0.524) 1.909 2.482 ( 1.713 1.970 1.411) 2.968 2.554 ( 4.850 -5.027 -1.857) 7.228 2.661 ( -1.766 8.806 1.520) 9.109 2.785 ( -2.093 -4.216 -1.345) 4.895 2.934 ( -3.328 0.727 1.679) 3.797 2.957 ( 3.256 0.089 -0.634) 3.318 3.388 ( -2.764 1.570 0.070) 3.179 3.510 ( -6.659 -9.288 0.108) 11.430 3.804 ( -6.629 4.930 -4.936) 9.624 3.845 ( -7.486 0.434 -0.828) 7.544 4.172 ( 3.846 1.124 1.008) 4.131 4.223 ( 5.068 -0.237 -0.717) 5.124 4.344 ( -0.794 0.363 -1.558) 1.786 4.422 ( -1.148 -4.558 0.204) 4.705 5.285 ( -0.672 2.757 -1.449) 3.186 5.377 ( -2.472 -6.843 0.408) 7.288 5.771 ( 5.472 7.460 0.510) 9.266 5.782 ( 3.839 6.610 1.722) 7.835 5.882 ( 6.801 -4.130 4.737) 9.260 5.929 ( 3.901 -7.983 -3.330) 9.489 7.583 ( -1.908 7.743 -5.831) 9.879 7.698 ( -0.143 -3.802 -7.901) 8.769 7.899 ( -13.010 3.993 12.310) 18.350 7.981 ( -11.414 -3.759 14.489) 18.824 8.306 ( 7.686 7.480 -4.421) 11.600 8.441 ( 7.274 -6.625 -5.784) 11.413 8.811 ( 1.328 4.383 0.700) 4.633 8.926 ( -10.480 -5.585 4.161) 12.583 9.307 ( 16.293 5.538 -12.079) 21.025 9.510 ( 8.439 -13.823 -6.291) 17.374 10.407 ( -13.298 2.359 9.635) 16.590 10.459 ( -15.926 -3.489 10.889) 19.606 13.086 ( 4.957 1.864 0.062) 5.296 13.155 ( 4.303 -5.221 -3.796) 7.758 14.593 ( 10.846 1.855 2.656) 11.319 14.609 ( 9.707 0.114 5.149) 10.989 15.340 ( -10.747 4.768 -5.242) 12.873 15.424 ( -11.350 -4.060 -3.412) 12.528 17.167 ( -2.181 5.063 1.205) 5.643 17.239 ( -3.399 -2.125 0.791) 4.086 17.582 ( 1.675 1.197 -0.134) 2.063 17.598 ( 1.268 -0.417 -0.007) 1.334 ======================= Grid point 224 (116/116) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 4.166 1.024 -5.241) 6.773 1.059 ( -0.950 -4.374 -3.760) 5.845 1.469 ( 0.206 0.202 -0.226) 0.366 1.504 ( -4.187 -3.436 6.457) 8.428 1.882 ( 0.383 3.000 1.479) 3.366 1.900 ( 0.357 1.333 -1.823) 2.286 2.027 ( 10.157 -0.089 0.312) 10.163 2.047 ( 5.661 -2.209 3.262) 6.897 2.248 ( -4.226 2.288 -4.678) 6.706 2.259 ( -4.900 0.743 -0.208) 4.960 2.443 ( 1.943 5.304 2.408) 6.141 2.482 ( -0.515 3.113 0.825) 3.261 2.578 ( 4.930 1.000 0.405) 5.046 2.627 ( 4.670 -0.317 0.133) 4.683 2.674 ( -2.709 -0.303 2.715) 3.847 2.739 ( -2.505 -2.010 1.160) 3.415 2.864 ( 1.865 2.172 -1.443) 3.205 2.973 ( -3.782 -6.207 -0.441) 7.281 3.365 ( 0.778 3.281 0.692) 3.442 3.419 ( -3.171 -0.400 -0.534) 3.241 3.695 ( -1.533 -0.321 -3.526) 3.858 3.725 ( -4.545 -2.375 0.335) 5.139 4.237 ( 2.362 -0.569 1.235) 2.726 4.271 ( -0.276 -3.687 -0.821) 3.787 4.350 ( 2.313 3.065 -0.928) 3.951 4.393 ( -1.900 -1.190 0.015) 2.242 5.286 ( 1.228 -0.093 -0.924) 1.540 5.324 ( -2.908 -4.036 0.880) 5.052 5.841 ( 2.990 7.113 -0.814) 7.758 5.860 ( 1.174 6.962 1.649) 7.250 5.981 ( 2.775 -6.335 -1.165) 7.013 5.989 ( 1.851 -5.926 1.509) 6.389 7.585 ( 5.179 8.688 -9.563) 13.919 7.689 ( -6.033 5.278 7.146) 10.739 7.738 ( 1.407 -3.200 -7.979) 8.711 7.830 ( -9.952 -5.380 15.362) 19.079 8.434 ( 7.307 6.100 -3.322) 10.081 8.526 ( 0.874 -3.116 -2.719) 4.227 8.730 ( -5.947 1.897 1.662) 6.460 8.759 ( -5.133 -1.156 1.522) 5.477 9.642 ( 19.139 -0.379 -9.066) 21.181 9.724 ( 11.747 -8.175 -3.739) 14.792 10.163 ( -15.611 -2.346 6.923) 17.238 10.165 ( -13.866 -2.299 7.885) 16.116 13.172 ( 2.997 -0.743 1.377) 3.380 13.198 ( 1.080 -3.476 -2.477) 4.403 14.812 ( 9.928 2.385 2.260) 10.458 14.831 ( 9.860 0.328 4.466) 10.829 15.119 ( -8.587 3.795 -4.289) 10.321 15.175 ( -11.983 -2.047 -2.906) 12.499 17.153 ( 0.289 2.637 0.679) 2.738 17.181 ( -2.452 -0.262 0.079) 2.467 17.604 ( 0.727 0.475 -0.155) 0.882 17.610 ( 0.070 -0.168 0.020) 0.183 =================== 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 3/21168 10.0 167.094 174.181 136.821 0.000 -1.821 0.000 3/21168 20.0 41.619 39.183 29.788 0.000 -0.621 0.000 3/21168 30.0 20.357 18.351 14.629 0.000 -0.633 0.000 3/21168 40.0 12.828 11.325 9.410 0.000 -0.562 0.000 3/21168 50.0 9.166 8.013 6.861 0.000 -0.488 0.000 3/21168 60.0 7.063 6.145 5.379 0.000 -0.427 0.000 3/21168 70.0 5.725 4.965 4.423 0.000 -0.381 0.000 3/21168 80.0 4.812 4.163 3.761 0.000 -0.347 0.000 3/21168 90.0 4.153 3.585 3.278 0.000 -0.319 0.000 3/21168 100.0 3.658 3.151 2.911 0.000 -0.297 0.000 3/21168 110.0 3.273 2.814 2.622 0.000 -0.279 0.000 3/21168 120.0 2.965 2.546 2.389 0.000 -0.263 0.000 3/21168 130.0 2.713 2.326 2.197 0.000 -0.248 0.000 3/21168 140.0 2.503 2.144 2.035 0.000 -0.236 0.000 3/21168 150.0 2.325 1.990 1.896 0.000 -0.224 0.000 3/21168 160.0 2.172 1.857 1.777 0.000 -0.213 0.000 3/21168 170.0 2.038 1.743 1.672 0.000 -0.204 0.000 3/21168 180.0 1.921 1.642 1.579 0.000 -0.195 0.000 3/21168 190.0 1.817 1.553 1.497 0.000 -0.187 0.000 3/21168 200.0 1.725 1.474 1.423 0.000 -0.179 0.000 3/21168 210.0 1.641 1.402 1.356 0.000 -0.172 0.000 3/21168 220.0 1.566 1.338 1.296 0.000 -0.165 0.000 3/21168 230.0 1.497 1.279 1.241 0.000 -0.159 0.000 3/21168 240.0 1.435 1.226 1.190 0.000 -0.153 0.000 3/21168 250.0 1.377 1.177 1.143 0.000 -0.148 0.000 3/21168 260.0 1.324 1.132 1.100 0.000 -0.143 0.000 3/21168 270.0 1.275 1.090 1.061 0.000 -0.138 0.000 3/21168 280.0 1.230 1.051 1.023 0.000 -0.134 0.000 3/21168 290.0 1.187 1.015 0.989 0.000 -0.130 0.000 3/21168 300.0 1.148 0.982 0.957 0.000 -0.126 0.000 3/21168 310.0 1.111 0.950 0.927 0.000 -0.122 0.000 3/21168 320.0 1.077 0.921 0.898 0.000 -0.118 0.000 3/21168 330.0 1.044 0.893 0.872 0.000 -0.115 0.000 3/21168 340.0 1.014 0.867 0.847 0.000 -0.112 0.000 3/21168 350.0 0.985 0.843 0.823 0.000 -0.109 0.000 3/21168 360.0 0.958 0.820 0.800 0.000 -0.106 0.000 3/21168 370.0 0.932 0.798 0.779 0.000 -0.103 0.000 3/21168 380.0 0.908 0.777 0.759 0.000 -0.101 0.000 3/21168 390.0 0.884 0.757 0.740 0.000 -0.098 0.000 3/21168 400.0 0.862 0.739 0.722 0.000 -0.096 0.000 3/21168 410.0 0.842 0.721 0.705 0.000 -0.094 0.000 3/21168 420.0 0.822 0.704 0.688 0.000 -0.092 0.000 3/21168 430.0 0.803 0.688 0.672 0.000 -0.090 0.000 3/21168 440.0 0.785 0.672 0.657 0.000 -0.088 0.000 3/21168 450.0 0.767 0.658 0.643 0.000 -0.086 0.000 3/21168 460.0 0.751 0.643 0.629 0.000 -0.084 0.000 3/21168 470.0 0.735 0.630 0.616 0.000 -0.082 0.000 3/21168 480.0 0.720 0.617 0.603 0.000 -0.081 0.000 3/21168 490.0 0.705 0.604 0.591 0.000 -0.079 0.000 3/21168 500.0 0.691 0.592 0.580 0.000 -0.078 0.000 3/21168 510.0 0.678 0.581 0.568 0.000 -0.076 0.000 3/21168 520.0 0.665 0.570 0.558 0.000 -0.075 0.000 3/21168 530.0 0.652 0.559 0.547 0.000 -0.073 0.000 3/21168 540.0 0.640 0.549 0.537 0.000 -0.072 0.000 3/21168 550.0 0.628 0.539 0.528 0.000 -0.071 0.000 3/21168 560.0 0.617 0.530 0.518 0.000 -0.070 0.000 3/21168 570.0 0.607 0.520 0.509 0.000 -0.068 0.000 3/21168 580.0 0.596 0.511 0.501 0.000 -0.067 0.000 3/21168 590.0 0.586 0.503 0.492 0.000 -0.066 0.000 3/21168 600.0 0.576 0.495 0.484 0.000 -0.065 0.000 3/21168 610.0 0.567 0.486 0.476 0.000 -0.064 0.000 3/21168 620.0 0.558 0.479 0.469 0.000 -0.063 0.000 3/21168 630.0 0.549 0.471 0.461 0.000 -0.062 0.000 3/21168 640.0 0.541 0.464 0.454 0.000 -0.061 0.000 3/21168 650.0 0.532 0.457 0.447 0.000 -0.060 0.000 3/21168 660.0 0.524 0.450 0.440 0.000 -0.059 0.000 3/21168 670.0 0.516 0.443 0.434 0.000 -0.058 0.000 3/21168 680.0 0.509 0.437 0.428 0.000 -0.058 0.000 3/21168 690.0 0.502 0.430 0.421 0.000 -0.057 0.000 3/21168 700.0 0.494 0.424 0.415 0.000 -0.056 0.000 3/21168 710.0 0.487 0.418 0.410 0.000 -0.055 0.000 3/21168 720.0 0.481 0.413 0.404 0.000 -0.054 0.000 3/21168 730.0 0.474 0.407 0.399 0.000 -0.054 0.000 3/21168 740.0 0.468 0.402 0.393 0.000 -0.053 0.000 3/21168 750.0 0.462 0.396 0.388 0.000 -0.052 0.000 3/21168 760.0 0.455 0.391 0.383 0.000 -0.052 0.000 3/21168 770.0 0.450 0.386 0.378 0.000 -0.051 0.000 3/21168 780.0 0.444 0.381 0.373 0.000 -0.050 0.000 3/21168 790.0 0.438 0.376 0.368 0.000 -0.050 0.000 3/21168 800.0 0.433 0.372 0.364 0.000 -0.049 0.000 3/21168 810.0 0.427 0.367 0.359 0.000 -0.048 0.000 3/21168 820.0 0.422 0.363 0.355 0.000 -0.048 0.000 3/21168 830.0 0.417 0.358 0.351 0.000 -0.047 0.000 3/21168 840.0 0.412 0.354 0.347 0.000 -0.047 0.000 3/21168 850.0 0.407 0.350 0.343 0.000 -0.046 0.000 3/21168 860.0 0.403 0.346 0.339 0.000 -0.046 0.000 3/21168 870.0 0.398 0.342 0.335 0.000 -0.045 0.000 3/21168 880.0 0.394 0.338 0.331 0.000 -0.045 0.000 3/21168 890.0 0.389 0.334 0.327 0.000 -0.044 0.000 3/21168 900.0 0.385 0.330 0.324 0.000 -0.044 0.000 3/21168 910.0 0.381 0.327 0.320 0.000 -0.043 0.000 3/21168 920.0 0.376 0.323 0.317 0.000 -0.043 0.000 3/21168 930.0 0.372 0.320 0.313 0.000 -0.042 0.000 3/21168 940.0 0.369 0.316 0.310 0.000 -0.042 0.000 3/21168 950.0 0.365 0.313 0.307 0.000 -0.041 0.000 3/21168 960.0 0.361 0.310 0.304 0.000 -0.041 0.000 3/21168 970.0 0.357 0.307 0.300 0.000 -0.041 0.000 3/21168 980.0 0.353 0.304 0.297 0.000 -0.040 0.000 3/21168 990.0 0.350 0.301 0.294 0.000 -0.040 0.000 3/21168 1000.0 0.346 0.298 0.291 0.000 -0.039 0.000 3/21168 Thermal conductivity related properties were written into "kappa-m778.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:32:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|