# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/02d76791-032d-416e-ad11-da8cfda2afc4/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for KPrPdO3 / C2/m (12) / materials id 560569](https://mdr.nims.go.jp/datasets/c610538a-722e-4cb3-b39f-ceceb6ea22f6) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 16:02:33]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/m (12)Number of symmetry operations in supercell: 48------------------------------ primitive cell ------------------------------Lattice vectors: a 6.628672920024683 -1.968049159999999 0.000000000000000 b 6.628672920024683 1.968049159999999 0.000000000000000 c -1.949320225056251 0.000000000000000 7.216806960228583Atomic positions (fractional): *1 K 0.64243589288040 0.64243589288040 0.06433121154885 39.098 2 K 0.35756410711960 0.35756410711960 0.93566878845115 39.098 *3 Pr 0.35045512211676 0.35045512211676 0.42041421312858 140.908 4 Pr 0.64954487788324 0.64954487788324 0.57958578687142 140.908 *5 Pd 0.99322646025381 0.99322646025381 0.72354045941551 106.420 6 Pd 0.00677353974619 0.00677353974619 0.27645954058449 106.420 *7 O 0.16720140175369 0.16720140175369 0.36554396785641 15.999 *8 O 0.15111818094573 0.15111818094573 0.78069474013750 15.999 *9 O 0.50670642866630 0.50670642866630 0.30754089505022 15.999 10 O 0.84888181905427 0.84888181905427 0.21930525986250 15.999 11 O 0.83279859824631 0.83279859824631 0.63445603214359 15.999 12 O 0.49329357133370 0.49329357133370 0.69245910494978 15.999-------------------------------- unit cell ---------------------------------Lattice vectors: a 13.257345840049366 0.000000000000000 0.000000000000000 b 0.000000000000000 3.936098319999998 0.000000000000000 c -1.949320225056251 0.000000000000000 7.216806960228583Atomic positions (fractional): *1 K 0.14243589288040 0.50000000000000 0.06433121154885 39.098 > 1 2 K 0.35756410711960 0.00000000000000 0.93566878845115 39.098 > 2 3 K 0.64243589288040 0.00000000000000 0.06433121154885 39.098 > 1 4 K 0.85756410711960 0.50000000000000 0.93566878845115 39.098 > 2 *5 Pr 0.35045512211676 0.00000000000000 0.42041421312858 140.908 > 3 6 Pr 0.14954487788324 0.50000000000000 0.57958578687142 140.908 > 4 7 Pr 0.85045512211676 0.50000000000000 0.42041421312858 140.908 > 3 8 Pr 0.64954487788324 0.00000000000000 0.57958578687142 140.908 > 4 *9 Pd 0.49322646025381 0.50000000000000 0.72354045941551 106.420 > 5 10 Pd 0.00677353974619 0.00000000000000 0.27645954058449 106.420 > 6 11 Pd 0.99322646025381 0.00000000000000 0.72354045941551 106.420 > 5 12 Pd 0.50677353974619 0.50000000000000 0.27645954058449 106.420 > 6 *13 O 0.16720140175369 0.00000000000000 0.36554396785641 15.999 > 7 *14 O 0.15111818094573 0.00000000000000 0.78069474013750 15.999 > 8 *15 O 0.00670642866630 0.50000000000000 0.30754089505022 15.999 > 9 16 O 0.34888181905427 0.50000000000000 0.21930525986250 15.999 > 10 17 O 0.33279859824631 0.50000000000000 0.63445603214359 15.999 > 11 18 O 0.49329357133370 0.00000000000000 0.69245910494978 15.999 > 12 19 O 0.66720140175369 0.50000000000000 0.36554396785641 15.999 > 7 20 O 0.65111818094573 0.50000000000000 0.78069474013750 15.999 > 8 21 O 0.50670642866630 0.00000000000000 0.30754089505022 15.999 > 9 22 O 0.84888181905427 0.00000000000000 0.21930525986250 15.999 > 10 23 O 0.83279859824631 0.00000000000000 0.63445603214359 15.999 > 11 24 O 0.99329357133370 0.50000000000000 0.69245910494978 15.999 > 12-------------------------------- super cell --------------------------------Lattice vectors: a 13.257345840049366 0.000000000000000 0.000000000000000 b 0.000000000000000 11.808294959999994 0.000000000000000 c -3.898640450112502 0.000000000000000 14.433613920457166Atomic positions (fractional): *1 K 0.14243589288040 0.16666666666667 0.03216560577443 39.098 > 1 2 K 0.14243589288040 0.50000000000000 0.03216560577443 39.098 > 1 3 K 0.14243589288040 0.83333333333333 0.03216560577443 39.098 > 1 4 K 0.14243589288040 0.16666666666667 0.53216560577443 39.098 > 1 5 K 0.14243589288040 0.50000000000000 0.53216560577443 39.098 > 1 6 K 0.14243589288040 0.83333333333333 0.53216560577443 39.098 > 1 7 K 0.35756410711960 0.00000000000000 0.46783439422557 39.098 > 2 8 K 0.35756410711960 0.33333333333333 0.46783439422557 39.098 > 2 9 K 0.35756410711960 0.66666666666667 0.46783439422557 39.098 > 2 10 K 0.35756410711960 0.00000000000000 0.96783439422557 39.098 > 2 11 K 0.35756410711960 0.33333333333333 0.96783439422557 39.098 > 2 12 K 0.35756410711960 0.66666666666667 0.96783439422557 39.098 > 2 13 K 0.64243589288040 0.00000000000000 0.03216560577443 39.098 > 1 14 K 0.64243589288040 0.33333333333333 0.03216560577443 39.098 > 1 15 K 0.64243589288040 0.66666666666667 0.03216560577443 39.098 > 1 16 K 0.64243589288040 0.00000000000000 0.53216560577443 39.098 > 1 17 K 0.64243589288040 0.33333333333333 0.53216560577443 39.098 > 1 18 K 0.64243589288040 0.66666666666667 0.53216560577443 39.098 > 1 19 K 0.85756410711960 0.16666666666667 0.46783439422557 39.098 > 2 20 K 0.85756410711960 0.50000000000000 0.46783439422557 39.098 > 2 21 K 0.85756410711960 0.83333333333333 0.46783439422557 39.098 > 2 22 K 0.85756410711960 0.16666666666667 0.96783439422557 39.098 > 2 23 K 0.85756410711960 0.50000000000000 0.96783439422557 39.098 > 2 24 K 0.85756410711960 0.83333333333333 0.96783439422557 39.098 > 2 *25 Pr 0.35045512211676 0.00000000000000 0.21020710656429 140.908 > 3 26 Pr 0.35045512211676 0.33333333333333 0.21020710656429 140.908 > 3 27 Pr 0.35045512211676 0.66666666666667 0.21020710656429 140.908 > 3 28 Pr 0.35045512211676 0.00000000000000 0.71020710656429 140.908 > 3 29 Pr 0.35045512211676 0.33333333333333 0.71020710656429 140.908 > 3 30 Pr 0.35045512211676 0.66666666666667 0.71020710656429 140.908 > 3 31 Pr 0.14954487788324 0.16666666666667 0.28979289343571 140.908 > 4 32 Pr 0.14954487788324 0.50000000000000 0.28979289343571 140.908 > 4 33 Pr 0.14954487788324 0.83333333333333 0.28979289343571 140.908 > 4 34 Pr 0.14954487788324 0.16666666666667 0.78979289343571 140.908 > 4 35 Pr 0.14954487788324 0.50000000000000 0.78979289343571 140.908 > 4 36 Pr 0.14954487788324 0.83333333333333 0.78979289343571 140.908 > 4 37 Pr 0.85045512211676 0.16666666666667 0.21020710656429 140.908 > 3 38 Pr 0.85045512211676 0.50000000000000 0.21020710656429 140.908 > 3 39 Pr 0.85045512211676 0.83333333333333 0.21020710656429 140.908 > 3 40 Pr 0.85045512211676 0.16666666666667 0.71020710656429 140.908 > 3 41 Pr 0.85045512211676 0.50000000000000 0.71020710656429 140.908 > 3 42 Pr 0.85045512211676 0.83333333333333 0.71020710656429 140.908 > 3 43 Pr 0.64954487788324 0.00000000000000 0.28979289343571 140.908 > 4 44 Pr 0.64954487788324 0.33333333333333 0.28979289343571 140.908 > 4 45 Pr 0.64954487788324 0.66666666666667 0.28979289343571 140.908 > 4 46 Pr 0.64954487788324 0.00000000000000 0.78979289343571 140.908 > 4 47 Pr 0.64954487788324 0.33333333333333 0.78979289343571 140.908 > 4 48 Pr 0.64954487788324 0.66666666666667 0.78979289343571 140.908 > 4 *49 Pd 0.49322646025381 0.16666666666667 0.36177022970775 106.420 > 5 50 Pd 0.49322646025381 0.50000000000000 0.36177022970775 106.420 > 5 51 Pd 0.49322646025381 0.83333333333333 0.36177022970775 106.420 > 5 52 Pd 0.49322646025381 0.16666666666667 0.86177022970775 106.420 > 5 53 Pd 0.49322646025381 0.50000000000000 0.86177022970775 106.420 > 5 54 Pd 0.49322646025381 0.83333333333333 0.86177022970775 106.420 > 5 55 Pd 0.00677353974619 0.00000000000000 0.13822977029225 106.420 > 6 56 Pd 0.00677353974619 0.33333333333333 0.13822977029225 106.420 > 6 57 Pd 0.00677353974619 0.66666666666667 0.13822977029225 106.420 > 6 58 Pd 0.00677353974619 0.00000000000000 0.63822977029225 106.420 > 6 59 Pd 0.00677353974619 0.33333333333333 0.63822977029225 106.420 > 6 60 Pd 0.00677353974619 0.66666666666667 0.63822977029225 106.420 > 6 61 Pd 0.99322646025381 0.00000000000000 0.36177022970775 106.420 > 5 62 Pd 0.99322646025381 0.33333333333333 0.36177022970775 106.420 > 5 63 Pd 0.99322646025381 0.66666666666667 0.36177022970775 106.420 > 5 64 Pd 0.99322646025381 0.00000000000000 0.86177022970775 106.420 > 5 65 Pd 0.99322646025381 0.33333333333333 0.86177022970775 106.420 > 5 66 Pd 0.99322646025381 0.66666666666667 0.86177022970775 106.420 > 5 67 Pd 0.50677353974619 0.16666666666667 0.13822977029225 106.420 > 6 68 Pd 0.50677353974619 0.50000000000000 0.13822977029225 106.420 > 6 69 Pd 0.50677353974619 0.83333333333333 0.13822977029225 106.420 > 6 70 Pd 0.50677353974619 0.16666666666667 0.63822977029225 106.420 > 6 71 Pd 0.50677353974619 0.50000000000000 0.63822977029225 106.420 > 6 72 Pd 0.50677353974619 0.83333333333333 0.63822977029225 106.420 > 6 *73 O 0.16720140175369 0.00000000000000 0.18277198392821 15.999 > 7 74 O 0.16720140175369 0.33333333333333 0.18277198392821 15.999 > 7 75 O 0.16720140175369 0.66666666666667 0.18277198392821 15.999 > 7 76 O 0.16720140175369 0.00000000000000 0.68277198392821 15.999 > 7 77 O 0.16720140175369 0.33333333333333 0.68277198392821 15.999 > 7 78 O 0.16720140175369 0.66666666666667 0.68277198392821 15.999 > 7 *79 O 0.15111818094573 0.00000000000000 0.39034737006875 15.999 > 8 80 O 0.15111818094573 0.33333333333333 0.39034737006875 15.999 > 8 81 O 0.15111818094573 0.66666666666667 0.39034737006875 15.999 > 8 82 O 0.15111818094573 0.00000000000000 0.89034737006875 15.999 > 8 83 O 0.15111818094573 0.33333333333333 0.89034737006875 15.999 > 8 84 O 0.15111818094573 0.66666666666667 0.89034737006875 15.999 > 8 *85 O 0.00670642866630 0.16666666666667 0.15377044752511 15.999 > 9 86 O 0.00670642866630 0.50000000000000 0.15377044752511 15.999 > 9 87 O 0.00670642866630 0.83333333333333 0.15377044752511 15.999 > 9 88 O 0.00670642866630 0.16666666666667 0.65377044752511 15.999 > 9 89 O 0.00670642866630 0.50000000000000 0.65377044752511 15.999 > 9 90 O 0.00670642866630 0.83333333333333 0.65377044752511 15.999 > 9 91 O 0.34888181905427 0.16666666666667 0.10965262993125 15.999 > 10 92 O 0.34888181905427 0.50000000000000 0.10965262993125 15.999 > 10 93 O 0.34888181905427 0.83333333333333 0.10965262993125 15.999 > 10 94 O 0.34888181905427 0.16666666666667 0.60965262993125 15.999 > 10 95 O 0.34888181905427 0.50000000000000 0.60965262993125 15.999 > 10 96 O 0.34888181905427 0.83333333333333 0.60965262993125 15.999 > 10 97 O 0.33279859824631 0.16666666666667 0.31722801607180 15.999 > 11 98 O 0.33279859824631 0.50000000000000 0.31722801607180 15.999 > 11 99 O 0.33279859824631 0.83333333333333 0.31722801607180 15.999 > 11 100 O 0.33279859824631 0.16666666666667 0.81722801607180 15.999 > 11 101 O 0.33279859824631 0.50000000000000 0.81722801607180 15.999 > 11 102 O 0.33279859824631 0.83333333333333 0.81722801607180 15.999 > 11 103 O 0.49329357133370 0.00000000000000 0.34622955247489 15.999 > 12 104 O 0.49329357133370 0.33333333333333 0.34622955247489 15.999 > 12 105 O 0.49329357133370 0.66666666666667 0.34622955247489 15.999 > 12 106 O 0.49329357133370 0.00000000000000 0.84622955247489 15.999 > 12 107 O 0.49329357133370 0.33333333333333 0.84622955247489 15.999 > 12 108 O 0.49329357133370 0.66666666666667 0.84622955247489 15.999 > 12 109 O 0.66720140175369 0.16666666666667 0.18277198392821 15.999 > 7 110 O 0.66720140175369 0.50000000000000 0.18277198392821 15.999 > 7 111 O 0.66720140175369 0.83333333333333 0.18277198392821 15.999 > 7 112 O 0.66720140175369 0.16666666666667 0.68277198392821 15.999 > 7 113 O 0.66720140175369 0.50000000000000 0.68277198392821 15.999 > 7 114 O 0.66720140175369 0.83333333333333 0.68277198392821 15.999 > 7 115 O 0.65111818094573 0.16666666666667 0.39034737006875 15.999 > 8 116 O 0.65111818094573 0.50000000000000 0.39034737006875 15.999 > 8 117 O 0.65111818094573 0.83333333333333 0.39034737006875 15.999 > 8 118 O 0.65111818094573 0.16666666666667 0.89034737006875 15.999 > 8 119 O 0.65111818094573 0.50000000000000 0.89034737006875 15.999 > 8 120 O 0.65111818094573 0.83333333333333 0.89034737006875 15.999 > 8 121 O 0.50670642866630 0.00000000000000 0.15377044752511 15.999 > 9 122 O 0.50670642866630 0.33333333333333 0.15377044752511 15.999 > 9 123 O 0.50670642866630 0.66666666666667 0.15377044752511 15.999 > 9 124 O 0.50670642866630 0.00000000000000 0.65377044752511 15.999 > 9 125 O 0.50670642866630 0.33333333333333 0.65377044752511 15.999 > 9 126 O 0.50670642866630 0.66666666666667 0.65377044752511 15.999 > 9 127 O 0.84888181905427 0.00000000000000 0.10965262993125 15.999 > 10 128 O 0.84888181905427 0.33333333333333 0.10965262993125 15.999 > 10 129 O 0.84888181905427 0.66666666666667 0.10965262993125 15.999 > 10 130 O 0.84888181905427 0.00000000000000 0.60965262993125 15.999 > 10 131 O 0.84888181905427 0.33333333333333 0.60965262993125 15.999 > 10 132 O 0.84888181905427 0.66666666666667 0.60965262993125 15.999 > 10 133 O 0.83279859824631 0.00000000000000 0.31722801607180 15.999 > 11 134 O 0.83279859824631 0.33333333333333 0.31722801607180 15.999 > 11 135 O 0.83279859824631 0.66666666666667 0.31722801607180 15.999 > 11 136 O 0.83279859824631 0.00000000000000 0.81722801607180 15.999 > 11 137 O 0.83279859824631 0.33333333333333 0.81722801607180 15.999 > 11 138 O 0.83279859824631 0.66666666666667 0.81722801607180 15.999 > 11 139 O 0.99329357133370 0.16666666666667 0.34622955247489 15.999 > 12 140 O 0.99329357133370 0.50000000000000 0.34622955247489 15.999 > 12 141 O 0.99329357133370 0.83333333333333 0.34622955247489 15.999 > 12 142 O 0.99329357133370 0.16666666666667 0.84622955247489 15.999 > 12 143 O 0.99329357133370 0.50000000000000 0.84622955247489 15.999 > 12 144 O 0.99329357133370 0.83333333333333 0.84622955247489 15.999 > 12----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.6952562 0.0000000 0.1169139 0.0000000 8.3469381 0.0000000 0.1169138 0.0000000 4.3063644-------------------------- Born effective charges -------------------------- 1 K 1.2179746 0.0000000 0.0878658 0.0000000 1.1413965 0.0000000 0.0130765 0.0000000 1.6338064 2 K 1.2179746 0.0000000 0.0878658 0.0000000 1.1413965 0.0000000 0.0130765 0.0000000 1.6338064 3 Pr 4.7860898 0.0000000 -0.2514031 0.0000000 4.2105126 0.0000000 0.0781561 0.0000000 2.8084128 4 Pr 4.7860898 0.0000000 -0.2514031 0.0000000 4.2105126 0.0000000 0.0781561 0.0000000 2.8084128 5 Pd 1.8877816 0.0000000 0.6537120 0.0000000 2.9702343 0.0000000 0.5773553 0.0000000 -0.5051401 6 Pd 1.8877816 0.0000000 0.6537120 0.0000000 2.9702343 0.0000000 0.5773553 0.0000000 -0.5051401 7 O -3.7252539 0.0000000 -0.2722180 0.0000000 -1.7475992 0.0000000 -0.3129049 0.0000000 -1.3219415 8 O -2.6130843 0.0000000 -0.0988330 0.0000000 -1.9590265 0.0000000 -0.2370986 0.0000000 -1.6102794 9 O -1.5535078 0.0000000 -0.1191237 0.0000000 -4.6155177 0.0000000 -0.1185844 0.0000000 -1.0048582 10 O -2.6130843 0.0000000 -0.0988330 0.0000000 -1.9590265 0.0000000 -0.2370986 0.0000000 -1.6102794 11 O -3.7252539 0.0000000 -0.2722180 0.0000000 -1.7475992 0.0000000 -0.3129049 0.0000000 -1.3219415 12 O -1.5535078 0.0000000 -0.1191237 0.0000000 -4.6155177 0.0000000 -0.1185844 0.0000000 -1.0048582----------------------------------------------------------------------------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: 432/432Permutation basis: 9324/9324Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2160Number of blocks in projector: 2160Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 576Use submatrix version of eigh solver.(1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found.(1) 565 eigenvectors found.(1) Complementary block size: 10(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 336Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 336Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 336Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 288Use standard eigh solver.Tree of FC basis block matrices:- (2160, 2131), data: False|-- (288, 288), data: True|-- (288, 288), data: True|-- (336, 330), data: True|-- (336, 330), data: True|-- (336, 330), data: True|-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 18), data: (576, 29) @ (29, 18) |-- (76, 69), data: True |-- (250, 239), data: True |-- (250, 239), data: True-----Solver_atoms: 1 -- 144 / 144Time (Solver_compr_matrix_reshape): 0.005Solver_block: 100 / 400 - Time: 0.854Solver_block: 200 / 400 - Time: 0.732Solver_block: 300 / 400 - Time: 0.721Solver_block: 400 / 400 - Time: 0.721Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.189--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432Permutation basis: 9324/9324Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2160Number of blocks in projector: 2160Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 576Use submatrix version of eigh solver.(1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found.(1) 565 eigenvectors found.(1) Complementary block size: 10(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 336Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 336Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 336Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 288Use standard eigh solver.Tree of FC basis block matrices:- (2160, 2131), data: False|-- (288, 288), data: True|-- (288, 288), data: True|-- (336, 330), data: True|-- (336, 330), data: True|-- (336, 330), data: True|-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 18), data: (576, 29) @ (29, 18) |-- (76, 69), data: True |-- (250, 239), data: True |-- (250, 239), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 16:03:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 16:03:02]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [1 3 2]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/m (12)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.628672920024683 -1.968049159999999 0.000000000000000 b 6.628672920024683 1.968049159999999 0.000000000000000 c -1.949320225056251 0.000000000000000 7.216806960228583Atomic positions (fractional): 1 K 0.64243589288040 0.64243589288040 0.06433121154885 39.098 2 K 0.35756410711960 0.35756410711960 0.93566878845115 39.098 3 Pr 0.35045512211676 0.35045512211676 0.42041421312858 140.908 4 Pr 0.64954487788324 0.64954487788324 0.57958578687142 140.908 5 Pd 0.99322646025381 0.99322646025381 0.72354045941551 106.420 6 Pd 0.00677353974619 0.00677353974619 0.27645954058449 106.420 7 O 0.16720140175369 0.16720140175369 0.36554396785641 15.999 8 O 0.15111818094573 0.15111818094573 0.78069474013750 15.999 9 O 0.50670642866630 0.50670642866630 0.30754089505022 15.999 10 O 0.84888181905427 0.84888181905427 0.21930525986250 15.999 11 O 0.83279859824631 0.83279859824631 0.63445603214359 15.999 12 O 0.49329357133370 0.49329357133370 0.69245910494978 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 13.257345840049366 0.000000000000000 0.000000000000000 b 0.000000000000000 11.808294959999994 0.000000000000000 c -3.898640450112502 0.000000000000000 14.433613920457166Atomic positions (fractional): 1 K 0.14243589288040 0.16666666666667 0.03216560577443 39.098 > 1 2 K 0.14243589288040 0.50000000000000 0.03216560577443 39.098 > 1 3 K 0.14243589288040 0.83333333333333 0.03216560577443 39.098 > 1 4 K 0.14243589288040 0.16666666666667 0.53216560577443 39.098 > 1 5 K 0.14243589288040 0.50000000000000 0.53216560577443 39.098 > 1 6 K 0.14243589288040 0.83333333333333 0.53216560577443 39.098 > 1 7 K 0.35756410711960 0.00000000000000 0.46783439422557 39.098 > 7 8 K 0.35756410711960 0.33333333333333 0.46783439422557 39.098 > 7 9 K 0.35756410711960 0.66666666666667 0.46783439422557 39.098 > 7 10 K 0.35756410711960 0.00000000000000 0.96783439422557 39.098 > 7 11 K 0.35756410711960 0.33333333333333 0.96783439422557 39.098 > 7 12 K 0.35756410711960 0.66666666666667 0.96783439422557 39.098 > 7 13 K 0.64243589288040 0.00000000000000 0.03216560577443 39.098 > 1 14 K 0.64243589288040 0.33333333333333 0.03216560577443 39.098 > 1 15 K 0.64243589288040 0.66666666666667 0.03216560577443 39.098 > 1 16 K 0.64243589288040 0.00000000000000 0.53216560577443 39.098 > 1 17 K 0.64243589288040 0.33333333333333 0.53216560577443 39.098 > 1 18 K 0.64243589288040 0.66666666666667 0.53216560577443 39.098 > 1 19 K 0.85756410711960 0.16666666666667 0.46783439422557 39.098 > 7 20 K 0.85756410711960 0.50000000000000 0.46783439422557 39.098 > 7 21 K 0.85756410711960 0.83333333333333 0.46783439422557 39.098 > 7 22 K 0.85756410711960 0.16666666666667 0.96783439422557 39.098 > 7 23 K 0.85756410711960 0.50000000000000 0.96783439422557 39.098 > 7 24 K 0.85756410711960 0.83333333333333 0.96783439422557 39.098 > 7 25 Pr 0.35045512211676 0.00000000000000 0.21020710656429 140.908 > 25 26 Pr 0.35045512211676 0.33333333333333 0.21020710656429 140.908 > 25 27 Pr 0.35045512211676 0.66666666666667 0.21020710656429 140.908 > 25 28 Pr 0.35045512211676 0.00000000000000 0.71020710656429 140.908 > 25 29 Pr 0.35045512211676 0.33333333333333 0.71020710656429 140.908 > 25 30 Pr 0.35045512211676 0.66666666666667 0.71020710656429 140.908 > 25 31 Pr 0.14954487788324 0.16666666666667 0.28979289343571 140.908 > 31 32 Pr 0.14954487788324 0.50000000000000 0.28979289343571 140.908 > 31 33 Pr 0.14954487788324 0.83333333333333 0.28979289343571 140.908 > 31 34 Pr 0.14954487788324 0.16666666666667 0.78979289343571 140.908 > 31 35 Pr 0.14954487788324 0.50000000000000 0.78979289343571 140.908 > 31 36 Pr 0.14954487788324 0.83333333333333 0.78979289343571 140.908 > 31 37 Pr 0.85045512211676 0.16666666666667 0.21020710656429 140.908 > 25 38 Pr 0.85045512211676 0.50000000000000 0.21020710656429 140.908 > 25 39 Pr 0.85045512211676 0.83333333333333 0.21020710656429 140.908 > 25 40 Pr 0.85045512211676 0.16666666666667 0.71020710656429 140.908 > 25 41 Pr 0.85045512211676 0.50000000000000 0.71020710656429 140.908 > 25 42 Pr 0.85045512211676 0.83333333333333 0.71020710656429 140.908 > 25 43 Pr 0.64954487788324 0.00000000000000 0.28979289343571 140.908 > 31 44 Pr 0.64954487788324 0.33333333333333 0.28979289343571 140.908 > 31 45 Pr 0.64954487788324 0.66666666666667 0.28979289343571 140.908 > 31 46 Pr 0.64954487788324 0.00000000000000 0.78979289343571 140.908 > 31 47 Pr 0.64954487788324 0.33333333333333 0.78979289343571 140.908 > 31 48 Pr 0.64954487788324 0.66666666666667 0.78979289343571 140.908 > 31 49 Pd 0.49322646025381 0.16666666666667 0.36177022970775 106.420 > 49 50 Pd 0.49322646025381 0.50000000000000 0.36177022970775 106.420 > 49 51 Pd 0.49322646025381 0.83333333333333 0.36177022970775 106.420 > 49 52 Pd 0.49322646025381 0.16666666666667 0.86177022970775 106.420 > 49 53 Pd 0.49322646025381 0.50000000000000 0.86177022970775 106.420 > 49 54 Pd 0.49322646025381 0.83333333333333 0.86177022970775 106.420 > 49 55 Pd 0.00677353974619 0.00000000000000 0.13822977029225 106.420 > 55 56 Pd 0.00677353974619 0.33333333333333 0.13822977029225 106.420 > 55 57 Pd 0.00677353974619 0.66666666666667 0.13822977029225 106.420 > 55 58 Pd 0.00677353974619 0.00000000000000 0.63822977029225 106.420 > 55 59 Pd 0.00677353974619 0.33333333333333 0.63822977029225 106.420 > 55 60 Pd 0.00677353974619 0.66666666666667 0.63822977029225 106.420 > 55 61 Pd 0.99322646025381 0.00000000000000 0.36177022970775 106.420 > 49 62 Pd 0.99322646025381 0.33333333333333 0.36177022970775 106.420 > 49 63 Pd 0.99322646025381 0.66666666666667 0.36177022970775 106.420 > 49 64 Pd 0.99322646025381 0.00000000000000 0.86177022970775 106.420 > 49 65 Pd 0.99322646025381 0.33333333333333 0.86177022970775 106.420 > 49 66 Pd 0.99322646025381 0.66666666666667 0.86177022970775 106.420 > 49 67 Pd 0.50677353974619 0.16666666666667 0.13822977029225 106.420 > 55 68 Pd 0.50677353974619 0.50000000000000 0.13822977029225 106.420 > 55 69 Pd 0.50677353974619 0.83333333333333 0.13822977029225 106.420 > 55 70 Pd 0.50677353974619 0.16666666666667 0.63822977029225 106.420 > 55 71 Pd 0.50677353974619 0.50000000000000 0.63822977029225 106.420 > 55 72 Pd 0.50677353974619 0.83333333333333 0.63822977029225 106.420 > 55 73 O 0.16720140175369 0.00000000000000 0.18277198392821 15.999 > 73 74 O 0.16720140175369 0.33333333333333 0.18277198392821 15.999 > 73 75 O 0.16720140175369 0.66666666666667 0.18277198392821 15.999 > 73 76 O 0.16720140175369 0.00000000000000 0.68277198392821 15.999 > 73 77 O 0.16720140175369 0.33333333333333 0.68277198392821 15.999 > 73 78 O 0.16720140175369 0.66666666666667 0.68277198392821 15.999 > 73 79 O 0.15111818094573 0.00000000000000 0.39034737006875 15.999 > 79 80 O 0.15111818094573 0.33333333333333 0.39034737006875 15.999 > 79 81 O 0.15111818094573 0.66666666666667 0.39034737006875 15.999 > 79 82 O 0.15111818094573 0.00000000000000 0.89034737006875 15.999 > 79 83 O 0.15111818094573 0.33333333333333 0.89034737006875 15.999 > 79 84 O 0.15111818094573 0.66666666666667 0.89034737006875 15.999 > 79 85 O 0.00670642866630 0.16666666666667 0.15377044752511 15.999 > 85 86 O 0.00670642866630 0.50000000000000 0.15377044752511 15.999 > 85 87 O 0.00670642866630 0.83333333333333 0.15377044752511 15.999 > 85 88 O 0.00670642866630 0.16666666666667 0.65377044752511 15.999 > 85 89 O 0.00670642866630 0.50000000000000 0.65377044752511 15.999 > 85 90 O 0.00670642866630 0.83333333333333 0.65377044752511 15.999 > 85 91 O 0.34888181905427 0.16666666666667 0.10965262993125 15.999 > 91 92 O 0.34888181905427 0.50000000000000 0.10965262993125 15.999 > 91 93 O 0.34888181905427 0.83333333333333 0.10965262993125 15.999 > 91 94 O 0.34888181905427 0.16666666666667 0.60965262993125 15.999 > 91 95 O 0.34888181905427 0.50000000000000 0.60965262993125 15.999 > 91 96 O 0.34888181905427 0.83333333333333 0.60965262993125 15.999 > 91 97 O 0.33279859824631 0.16666666666667 0.31722801607180 15.999 > 97 98 O 0.33279859824631 0.50000000000000 0.31722801607180 15.999 > 97 99 O 0.33279859824631 0.83333333333333 0.31722801607180 15.999 > 97 100 O 0.33279859824631 0.16666666666667 0.81722801607180 15.999 > 97 101 O 0.33279859824631 0.50000000000000 0.81722801607180 15.999 > 97 102 O 0.33279859824631 0.83333333333333 0.81722801607180 15.999 > 97 103 O 0.49329357133370 0.00000000000000 0.34622955247489 15.999 > 103 104 O 0.49329357133370 0.33333333333333 0.34622955247489 15.999 > 103 105 O 0.49329357133370 0.66666666666667 0.34622955247489 15.999 > 103 106 O 0.49329357133370 0.00000000000000 0.84622955247489 15.999 > 103 107 O 0.49329357133370 0.33333333333333 0.84622955247489 15.999 > 103 108 O 0.49329357133370 0.66666666666667 0.84622955247489 15.999 > 103 109 O 0.66720140175369 0.16666666666667 0.18277198392821 15.999 > 73 110 O 0.66720140175369 0.50000000000000 0.18277198392821 15.999 > 73 111 O 0.66720140175369 0.83333333333333 0.18277198392821 15.999 > 73 112 O 0.66720140175369 0.16666666666667 0.68277198392821 15.999 > 73 113 O 0.66720140175369 0.50000000000000 0.68277198392821 15.999 > 73 114 O 0.66720140175369 0.83333333333333 0.68277198392821 15.999 > 73 115 O 0.65111818094573 0.16666666666667 0.39034737006875 15.999 > 79 116 O 0.65111818094573 0.50000000000000 0.39034737006875 15.999 > 79 117 O 0.65111818094573 0.83333333333333 0.39034737006875 15.999 > 79 118 O 0.65111818094573 0.16666666666667 0.89034737006875 15.999 > 79 119 O 0.65111818094573 0.50000000000000 0.89034737006875 15.999 > 79 120 O 0.65111818094573 0.83333333333333 0.89034737006875 15.999 > 79 121 O 0.50670642866630 0.00000000000000 0.15377044752511 15.999 > 85 122 O 0.50670642866630 0.33333333333333 0.15377044752511 15.999 > 85 123 O 0.50670642866630 0.66666666666667 0.15377044752511 15.999 > 85 124 O 0.50670642866630 0.00000000000000 0.65377044752511 15.999 > 85 125 O 0.50670642866630 0.33333333333333 0.65377044752511 15.999 > 85 126 O 0.50670642866630 0.66666666666667 0.65377044752511 15.999 > 85 127 O 0.84888181905427 0.00000000000000 0.10965262993125 15.999 > 91 128 O 0.84888181905427 0.33333333333333 0.10965262993125 15.999 > 91 129 O 0.84888181905427 0.66666666666667 0.10965262993125 15.999 > 91 130 O 0.84888181905427 0.00000000000000 0.60965262993125 15.999 > 91 131 O 0.84888181905427 0.33333333333333 0.60965262993125 15.999 > 91 132 O 0.84888181905427 0.66666666666667 0.60965262993125 15.999 > 91 133 O 0.83279859824631 0.00000000000000 0.31722801607180 15.999 > 97 134 O 0.83279859824631 0.33333333333333 0.31722801607180 15.999 > 97 135 O 0.83279859824631 0.66666666666667 0.31722801607180 15.999 > 97 136 O 0.83279859824631 0.00000000000000 0.81722801607180 15.999 > 97 137 O 0.83279859824631 0.33333333333333 0.81722801607180 15.999 > 97 138 O 0.83279859824631 0.66666666666667 0.81722801607180 15.999 > 97 139 O 0.99329357133370 0.16666666666667 0.34622955247489 15.999 > 103 140 O 0.99329357133370 0.50000000000000 0.34622955247489 15.999 > 103 141 O 0.99329357133370 0.83333333333333 0.34622955247489 15.999 > 103 142 O 0.99329357133370 0.16666666666667 0.84622955247489 15.999 > 103 143 O 0.99329357133370 0.50000000000000 0.84622955247489 15.999 > 103 144 O 0.99329357133370 0.83333333333333 0.84622955247489 15.999 > 103----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.6952562 0.0000000 0.1169139 0.0000000 8.3469381 0.0000000 0.1169138 0.0000000 4.3063644-------------------------- Born effective charges -------------------------- 1 K 1.2179746 0.0000000 0.0878658 0.0000000 1.1413965 0.0000000 0.0130765 0.0000000 1.6338064 2 K 1.2179746 0.0000000 0.0878658 0.0000000 1.1413965 0.0000000 0.0130765 0.0000000 1.6338064 3 Pr 4.7860898 0.0000000 -0.2514031 0.0000000 4.2105126 0.0000000 0.0781561 0.0000000 2.8084128 4 Pr 4.7860898 0.0000000 -0.2514031 0.0000000 4.2105126 0.0000000 0.0781561 0.0000000 2.8084128 5 Pd 1.8877816 0.0000000 0.6537120 0.0000000 2.9702343 0.0000000 0.5773553 0.0000000 -0.5051401 6 Pd 1.8877816 0.0000000 0.6537120 0.0000000 2.9702343 0.0000000 0.5773553 0.0000000 -0.5051401 7 O -3.7252539 0.0000000 -0.2722180 0.0000000 -1.7475992 0.0000000 -0.3129049 0.0000000 -1.3219415 8 O -2.6130843 0.0000000 -0.0988330 0.0000000 -1.9590265 0.0000000 -0.2370986 0.0000000 -1.6102794 9 O -1.5535078 0.0000000 -0.1191237 0.0000000 -4.6155177 0.0000000 -0.1185844 0.0000000 -1.0048582 10 O -2.6130843 0.0000000 -0.0988330 0.0000000 -1.9590265 0.0000000 -0.2370986 0.0000000 -1.6102794 11 O -3.7252539 0.0000000 -0.2722180 0.0000000 -1.7475992 0.0000000 -0.3129049 0.0000000 -1.3219415 12 O -1.5535078 0.0000000 -0.1191237 0.0000000 -4.6155177 0.0000000 -0.1185844 0.0000000 -1.0048582----------------------------------------------------------------------------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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097]Computing fc3[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097]Computing fc3[ 49, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097]Computing fc3[ 73, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097]Computing fc3[ 79, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097]Computing fc3[ 85, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency 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 16:03:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 16:03:31]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 3 2]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/m (12)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.628672920024683 -1.968049159999999 0.000000000000000 b 6.628672920024683 1.968049159999999 0.000000000000000 c -1.949320225056251 0.000000000000000 7.216806960228583Atomic positions (fractional): 1 K 0.64243589288040 0.64243589288040 0.06433121154885 39.098 2 K 0.35756410711960 0.35756410711960 0.93566878845115 39.098 3 Pr 0.35045512211676 0.35045512211676 0.42041421312858 140.908 4 Pr 0.64954487788324 0.64954487788324 0.57958578687142 140.908 5 Pd 0.99322646025381 0.99322646025381 0.72354045941551 106.420 6 Pd 0.00677353974619 0.00677353974619 0.27645954058449 106.420 7 O 0.16720140175369 0.16720140175369 0.36554396785641 15.999 8 O 0.15111818094573 0.15111818094573 0.78069474013750 15.999 9 O 0.50670642866630 0.50670642866630 0.30754089505022 15.999 10 O 0.84888181905427 0.84888181905427 0.21930525986250 15.999 11 O 0.83279859824631 0.83279859824631 0.63445603214359 15.999 12 O 0.49329357133370 0.49329357133370 0.69245910494978 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 13.257345840049366 0.000000000000000 0.000000000000000 b 0.000000000000000 11.808294959999994 0.000000000000000 c -3.898640450112502 0.000000000000000 14.433613920457166Atomic positions (fractional): 1 K 0.14243589288040 0.16666666666667 0.03216560577443 39.098 > 1 2 K 0.14243589288040 0.50000000000000 0.03216560577443 39.098 > 1 3 K 0.14243589288040 0.83333333333333 0.03216560577443 39.098 > 1 4 K 0.14243589288040 0.16666666666667 0.53216560577443 39.098 > 1 5 K 0.14243589288040 0.50000000000000 0.53216560577443 39.098 > 1 6 K 0.14243589288040 0.83333333333333 0.53216560577443 39.098 > 1 7 K 0.35756410711960 0.00000000000000 0.46783439422557 39.098 > 7 8 K 0.35756410711960 0.33333333333333 0.46783439422557 39.098 > 7 9 K 0.35756410711960 0.66666666666667 0.46783439422557 39.098 > 7 10 K 0.35756410711960 0.00000000000000 0.96783439422557 39.098 > 7 11 K 0.35756410711960 0.33333333333333 0.96783439422557 39.098 > 7 12 K 0.35756410711960 0.66666666666667 0.96783439422557 39.098 > 7 13 K 0.64243589288040 0.00000000000000 0.03216560577443 39.098 > 1 14 K 0.64243589288040 0.33333333333333 0.03216560577443 39.098 > 1 15 K 0.64243589288040 0.66666666666667 0.03216560577443 39.098 > 1 16 K 0.64243589288040 0.00000000000000 0.53216560577443 39.098 > 1 17 K 0.64243589288040 0.33333333333333 0.53216560577443 39.098 > 1 18 K 0.64243589288040 0.66666666666667 0.53216560577443 39.098 > 1 19 K 0.85756410711960 0.16666666666667 0.46783439422557 39.098 > 7 20 K 0.85756410711960 0.50000000000000 0.46783439422557 39.098 > 7 21 K 0.85756410711960 0.83333333333333 0.46783439422557 39.098 > 7 22 K 0.85756410711960 0.16666666666667 0.96783439422557 39.098 > 7 23 K 0.85756410711960 0.50000000000000 0.96783439422557 39.098 > 7 24 K 0.85756410711960 0.83333333333333 0.96783439422557 39.098 > 7 25 Pr 0.35045512211676 0.00000000000000 0.21020710656429 140.908 > 25 26 Pr 0.35045512211676 0.33333333333333 0.21020710656429 140.908 > 25 27 Pr 0.35045512211676 0.66666666666667 0.21020710656429 140.908 > 25 28 Pr 0.35045512211676 0.00000000000000 0.71020710656429 140.908 > 25 29 Pr 0.35045512211676 0.33333333333333 0.71020710656429 140.908 > 25 30 Pr 0.35045512211676 0.66666666666667 0.71020710656429 140.908 > 25 31 Pr 0.14954487788324 0.16666666666667 0.28979289343571 140.908 > 31 32 Pr 0.14954487788324 0.50000000000000 0.28979289343571 140.908 > 31 33 Pr 0.14954487788324 0.83333333333333 0.28979289343571 140.908 > 31 34 Pr 0.14954487788324 0.16666666666667 0.78979289343571 140.908 > 31 35 Pr 0.14954487788324 0.50000000000000 0.78979289343571 140.908 > 31 36 Pr 0.14954487788324 0.83333333333333 0.78979289343571 140.908 > 31 37 Pr 0.85045512211676 0.16666666666667 0.21020710656429 140.908 > 25 38 Pr 0.85045512211676 0.50000000000000 0.21020710656429 140.908 > 25 39 Pr 0.85045512211676 0.83333333333333 0.21020710656429 140.908 > 25 40 Pr 0.85045512211676 0.16666666666667 0.71020710656429 140.908 > 25 41 Pr 0.85045512211676 0.50000000000000 0.71020710656429 140.908 > 25 42 Pr 0.85045512211676 0.83333333333333 0.71020710656429 140.908 > 25 43 Pr 0.64954487788324 0.00000000000000 0.28979289343571 140.908 > 31 44 Pr 0.64954487788324 0.33333333333333 0.28979289343571 140.908 > 31 45 Pr 0.64954487788324 0.66666666666667 0.28979289343571 140.908 > 31 46 Pr 0.64954487788324 0.00000000000000 0.78979289343571 140.908 > 31 47 Pr 0.64954487788324 0.33333333333333 0.78979289343571 140.908 > 31 48 Pr 0.64954487788324 0.66666666666667 0.78979289343571 140.908 > 31 49 Pd 0.49322646025381 0.16666666666667 0.36177022970775 106.420 > 49 50 Pd 0.49322646025381 0.50000000000000 0.36177022970775 106.420 > 49 51 Pd 0.49322646025381 0.83333333333333 0.36177022970775 106.420 > 49 52 Pd 0.49322646025381 0.16666666666667 0.86177022970775 106.420 > 49 53 Pd 0.49322646025381 0.50000000000000 0.86177022970775 106.420 > 49 54 Pd 0.49322646025381 0.83333333333333 0.86177022970775 106.420 > 49 55 Pd 0.00677353974619 0.00000000000000 0.13822977029225 106.420 > 55 56 Pd 0.00677353974619 0.33333333333333 0.13822977029225 106.420 > 55 57 Pd 0.00677353974619 0.66666666666667 0.13822977029225 106.420 > 55 58 Pd 0.00677353974619 0.00000000000000 0.63822977029225 106.420 > 55 59 Pd 0.00677353974619 0.33333333333333 0.63822977029225 106.420 > 55 60 Pd 0.00677353974619 0.66666666666667 0.63822977029225 106.420 > 55 61 Pd 0.99322646025381 0.00000000000000 0.36177022970775 106.420 > 49 62 Pd 0.99322646025381 0.33333333333333 0.36177022970775 106.420 > 49 63 Pd 0.99322646025381 0.66666666666667 0.36177022970775 106.420 > 49 64 Pd 0.99322646025381 0.00000000000000 0.86177022970775 106.420 > 49 65 Pd 0.99322646025381 0.33333333333333 0.86177022970775 106.420 > 49 66 Pd 0.99322646025381 0.66666666666667 0.86177022970775 106.420 > 49 67 Pd 0.50677353974619 0.16666666666667 0.13822977029225 106.420 > 55 68 Pd 0.50677353974619 0.50000000000000 0.13822977029225 106.420 > 55 69 Pd 0.50677353974619 0.83333333333333 0.13822977029225 106.420 > 55 70 Pd 0.50677353974619 0.16666666666667 0.63822977029225 106.420 > 55 71 Pd 0.50677353974619 0.50000000000000 0.63822977029225 106.420 > 55 72 Pd 0.50677353974619 0.83333333333333 0.63822977029225 106.420 > 55 73 O 0.16720140175369 0.00000000000000 0.18277198392821 15.999 > 73 74 O 0.16720140175369 0.33333333333333 0.18277198392821 15.999 > 73 75 O 0.16720140175369 0.66666666666667 0.18277198392821 15.999 > 73 76 O 0.16720140175369 0.00000000000000 0.68277198392821 15.999 > 73 77 O 0.16720140175369 0.33333333333333 0.68277198392821 15.999 > 73 78 O 0.16720140175369 0.66666666666667 0.68277198392821 15.999 > 73 79 O 0.15111818094573 0.00000000000000 0.39034737006875 15.999 > 79 80 O 0.15111818094573 0.33333333333333 0.39034737006875 15.999 > 79 81 O 0.15111818094573 0.66666666666667 0.39034737006875 15.999 > 79 82 O 0.15111818094573 0.00000000000000 0.89034737006875 15.999 > 79 83 O 0.15111818094573 0.33333333333333 0.89034737006875 15.999 > 79 84 O 0.15111818094573 0.66666666666667 0.89034737006875 15.999 > 79 85 O 0.00670642866630 0.16666666666667 0.15377044752511 15.999 > 85 86 O 0.00670642866630 0.50000000000000 0.15377044752511 15.999 > 85 87 O 0.00670642866630 0.83333333333333 0.15377044752511 15.999 > 85 88 O 0.00670642866630 0.16666666666667 0.65377044752511 15.999 > 85 89 O 0.00670642866630 0.50000000000000 0.65377044752511 15.999 > 85 90 O 0.00670642866630 0.83333333333333 0.65377044752511 15.999 > 85 91 O 0.34888181905427 0.16666666666667 0.10965262993125 15.999 > 91 92 O 0.34888181905427 0.50000000000000 0.10965262993125 15.999 > 91 93 O 0.34888181905427 0.83333333333333 0.10965262993125 15.999 > 91 94 O 0.34888181905427 0.16666666666667 0.60965262993125 15.999 > 91 95 O 0.34888181905427 0.50000000000000 0.60965262993125 15.999 > 91 96 O 0.34888181905427 0.83333333333333 0.60965262993125 15.999 > 91 97 O 0.33279859824631 0.16666666666667 0.31722801607180 15.999 > 97 98 O 0.33279859824631 0.50000000000000 0.31722801607180 15.999 > 97 99 O 0.33279859824631 0.83333333333333 0.31722801607180 15.999 > 97 100 O 0.33279859824631 0.16666666666667 0.81722801607180 15.999 > 97 101 O 0.33279859824631 0.50000000000000 0.81722801607180 15.999 > 97 102 O 0.33279859824631 0.83333333333333 0.81722801607180 15.999 > 97 103 O 0.49329357133370 0.00000000000000 0.34622955247489 15.999 > 103 104 O 0.49329357133370 0.33333333333333 0.34622955247489 15.999 > 103 105 O 0.49329357133370 0.66666666666667 0.34622955247489 15.999 > 103 106 O 0.49329357133370 0.00000000000000 0.84622955247489 15.999 > 103 107 O 0.49329357133370 0.33333333333333 0.84622955247489 15.999 > 103 108 O 0.49329357133370 0.66666666666667 0.84622955247489 15.999 > 103 109 O 0.66720140175369 0.16666666666667 0.18277198392821 15.999 > 73 110 O 0.66720140175369 0.50000000000000 0.18277198392821 15.999 > 73 111 O 0.66720140175369 0.83333333333333 0.18277198392821 15.999 > 73 112 O 0.66720140175369 0.16666666666667 0.68277198392821 15.999 > 73 113 O 0.66720140175369 0.50000000000000 0.68277198392821 15.999 > 73 114 O 0.66720140175369 0.83333333333333 0.68277198392821 15.999 > 73 115 O 0.65111818094573 0.16666666666667 0.39034737006875 15.999 > 79 116 O 0.65111818094573 0.50000000000000 0.39034737006875 15.999 > 79 117 O 0.65111818094573 0.83333333333333 0.39034737006875 15.999 > 79 118 O 0.65111818094573 0.16666666666667 0.89034737006875 15.999 > 79 119 O 0.65111818094573 0.50000000000000 0.89034737006875 15.999 > 79 120 O 0.65111818094573 0.83333333333333 0.89034737006875 15.999 > 79 121 O 0.50670642866630 0.00000000000000 0.15377044752511 15.999 > 85 122 O 0.50670642866630 0.33333333333333 0.15377044752511 15.999 > 85 123 O 0.50670642866630 0.66666666666667 0.15377044752511 15.999 > 85 124 O 0.50670642866630 0.00000000000000 0.65377044752511 15.999 > 85 125 O 0.50670642866630 0.33333333333333 0.65377044752511 15.999 > 85 126 O 0.50670642866630 0.66666666666667 0.65377044752511 15.999 > 85 127 O 0.84888181905427 0.00000000000000 0.10965262993125 15.999 > 91 128 O 0.84888181905427 0.33333333333333 0.10965262993125 15.999 > 91 129 O 0.84888181905427 0.66666666666667 0.10965262993125 15.999 > 91 130 O 0.84888181905427 0.00000000000000 0.60965262993125 15.999 > 91 131 O 0.84888181905427 0.33333333333333 0.60965262993125 15.999 > 91 132 O 0.84888181905427 0.66666666666667 0.60965262993125 15.999 > 91 133 O 0.83279859824631 0.00000000000000 0.31722801607180 15.999 > 97 134 O 0.83279859824631 0.33333333333333 0.31722801607180 15.999 > 97 135 O 0.83279859824631 0.66666666666667 0.31722801607180 15.999 > 97 136 O 0.83279859824631 0.00000000000000 0.81722801607180 15.999 > 97 137 O 0.83279859824631 0.33333333333333 0.81722801607180 15.999 > 97 138 O 0.83279859824631 0.66666666666667 0.81722801607180 15.999 > 97 139 O 0.99329357133370 0.16666666666667 0.34622955247489 15.999 > 103 140 O 0.99329357133370 0.50000000000000 0.34622955247489 15.999 > 103 141 O 0.99329357133370 0.83333333333333 0.34622955247489 15.999 > 103 142 O 0.99329357133370 0.16666666666667 0.84622955247489 15.999 > 103 143 O 0.99329357133370 0.50000000000000 0.84622955247489 15.999 > 103 144 O 0.99329357133370 0.83333333333333 0.84622955247489 15.999 > 103----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.6952562 0.0000000 0.1169139 0.0000000 8.3469381 0.0000000 0.1169138 0.0000000 4.3063644-------------------------- Born effective charges -------------------------- 1 K 1.2179746 0.0000000 0.0878658 0.0000000 1.1413965 0.0000000 0.0130765 0.0000000 1.6338064 2 K 1.2179746 0.0000000 0.0878658 0.0000000 1.1413965 0.0000000 0.0130765 0.0000000 1.6338064 3 Pr 4.7860898 0.0000000 -0.2514031 0.0000000 4.2105126 0.0000000 0.0781561 0.0000000 2.8084128 4 Pr 4.7860898 0.0000000 -0.2514031 0.0000000 4.2105126 0.0000000 0.0781561 0.0000000 2.8084128 5 Pd 1.8877816 0.0000000 0.6537120 0.0000000 2.9702343 0.0000000 0.5773553 0.0000000 -0.5051401 6 Pd 1.8877816 0.0000000 0.6537120 0.0000000 2.9702343 0.0000000 0.5773553 0.0000000 -0.5051401 7 O -3.7252539 0.0000000 -0.2722180 0.0000000 -1.7475992 0.0000000 -0.3129049 0.0000000 -1.3219415 8 O -2.6130843 0.0000000 -0.0988330 0.0000000 -1.9590265 0.0000000 -0.2370986 0.0000000 -1.6102794 9 O -1.5535078 0.0000000 -0.1191237 0.0000000 -4.6155177 0.0000000 -0.1185844 0.0000000 -1.0048582 10 O -2.6130843 0.0000000 -0.0988330 0.0000000 -1.9590265 0.0000000 -0.2370986 0.0000000 -1.6102794 11 O -3.7252539 0.0000000 -0.2722180 0.0000000 -1.7475992 0.0000000 -0.3129049 0.0000000 -1.3219415 12 O -1.5535078 0.0000000 -0.1191237 0.0000000 -4.6155177 0.0000000 -0.1185844 0.0000000 -1.0048582----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx)Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 13 13 7 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.72, Number of G-points: 297, Lambda: 0.19Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/322) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 2.589 ( 0.000 0.000 0.000) 0.000 2.835 ( 0.000 0.000 0.000) 0.000 2.844 ( 0.000 0.000 0.000) 0.000 3.011 ( 0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 0.000) 0.000 3.395 ( 0.000 0.000 0.000) 0.000 3.738 ( 0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 3.854 ( 0.000 0.000 0.000) 0.000 4.056 ( 0.000 0.000 0.000) 0.000 4.341 ( 0.000 0.000 0.000) 0.000 5.084 ( 0.000 0.000 0.000) 0.000 5.213 ( 0.000 0.000 0.000) 0.000 5.281 ( 0.000 0.000 0.000) 0.000 5.680 ( 0.000 0.000 0.000) 0.000 6.616 ( 0.000 0.000 0.000) 0.000 7.726 ( 0.000 0.000 0.000) 0.000 7.789 ( 0.000 0.000 0.000) 0.000 8.239 ( 0.000 0.000 0.000) 0.000 8.640 ( 0.000 0.000 0.000) 0.000 8.830 ( 0.000 0.000 0.000) 0.000 9.604 ( 0.000 0.000 0.000) 0.000 9.707 ( 0.000 0.000 0.000) 0.000 10.385 ( 0.000 0.000 0.000) 0.000 10.653 ( 0.000 0.000 0.000) 0.000 10.708 ( 0.000 0.000 0.000) 0.000 11.162 ( 0.000 0.000 0.000) 0.000 14.277 ( 0.000 0.000 0.000) 0.000 14.825 ( 0.000 0.000 0.000) 0.000 16.035 ( 0.000 0.000 0.000) 0.000 16.421 ( 0.000 0.000 0.000) 0.000 19.459 ( 0.000 0.000 0.000) 0.000 19.686 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/322) =======================q-point: ( 0.08 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.507 ( 5.309 -23.279 2.605) 24.018 0.670 ( 18.200 -28.105 3.258) 33.642 1.208 ( 12.108 -55.550 1.371) 56.871 2.685 ( -0.119 -8.422 0.547) 8.441 2.787 ( -0.765 0.849 -0.966) 1.496 2.897 ( -1.033 -3.365 -0.681) 3.585 3.107 ( -0.214 -4.940 -0.144) 4.947 3.132 ( 1.978 -10.307 -0.314) 10.500 3.525 ( -0.905 -9.288 0.275) 9.336 3.747 ( -5.262 -3.456 -5.402) 8.296 3.873 ( 0.681 -1.485 4.439) 4.730 4.159 ( 1.263 -12.376 -0.578) 12.454 4.325 ( -0.242 0.798 0.447) 0.946 4.800 ( -31.966 -15.941 -11.315) 37.470 5.157 ( 0.618 -0.501 12.797) 12.822 5.224 ( 1.246 -0.766 1.590) 2.161 5.353 ( 17.856 3.135 -3.075) 18.388 5.769 ( -1.406 -10.406 -1.759) 10.646 6.580 ( -3.307 2.372 -0.254) 4.078 7.602 ( -1.306 9.839 -0.487) 9.937 7.782 ( -0.210 2.948 -2.469) 3.851 8.022 ( 1.581 18.692 0.526) 18.766 8.871 ( -0.070 -7.398 -2.374) 7.769 8.981 ( 4.330 -2.774 5.634) 7.628 9.582 ( 6.306 3.680 -3.194) 7.969 10.254 ( -7.846 1.534 -8.481) 11.655 10.391 ( -5.759 3.061 -5.262) 8.380 10.523 ( 4.618 -1.798 0.791) 5.019 10.913 ( 3.027 -8.376 8.283) 12.163 11.118 ( 1.656 4.271 2.167) 5.068 14.429 ( 38.867 10.680 9.856) 41.495 14.811 ( 1.483 1.705 -1.253) 2.584 16.029 ( 7.916 5.063 0.817) 9.432 16.395 ( 1.547 2.903 -0.069) 3.290 19.618 ( -0.023 -15.470 0.008) 15.470 21.712 ( -22.031 -4.129 -5.547) 23.091======================= Grid point 2 (3/322) =======================q-point: ( 0.15 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.958 ( 5.748 -18.558 2.100) 19.541 1.306 ( 15.980 -25.811 3.001) 30.505 2.251 ( 11.762 -41.166 0.609) 42.818 2.771 ( -4.336 -1.732 0.772) 4.733 2.893 ( 2.159 -10.264 -2.099) 10.696 2.991 ( -0.202 -7.952 -0.159) 7.956 3.217 ( -0.471 -6.498 -0.540) 6.538 3.388 ( 2.641 -13.879 -1.987) 14.267 3.615 ( -2.545 -2.567 -1.116) 3.783 3.780 ( -4.904 -2.788 -4.537) 7.239 3.936 ( 0.776 -3.852 4.810) 6.211 4.313 ( -0.116 -0.451 0.319) 0.564 4.519 ( 2.764 -14.473 1.156) 14.780 4.862 ( -11.545 -3.715 -2.532) 12.389 5.268 ( -6.454 -7.564 3.790) 10.641 5.301 ( 5.208 -10.872 2.638) 12.340 5.426 ( 5.963 -5.906 -3.063) 8.934 6.069 ( -3.378 -19.875 -2.968) 20.378 6.515 ( -9.527 -1.732 0.216) 9.686 7.355 ( -2.200 14.080 -0.606) 14.264 7.544 ( -3.921 20.923 -0.328) 21.290 7.772 ( 6.514 5.660 0.565) 8.648 8.878 ( 1.480 7.569 4.351) 8.855 9.104 ( 0.930 -6.220 -0.661) 6.324 9.516 ( 4.624 7.369 -3.616) 9.421 10.095 ( -2.141 10.495 -0.998) 10.758 10.240 ( 0.003 3.401 -0.637) 3.460 10.645 ( -2.199 0.609 -6.370) 6.767 11.082 ( 0.585 -4.720 7.229) 8.653 11.194 ( -0.521 -18.997 0.451) 19.010 14.483 ( 16.594 1.309 3.529) 17.015 14.782 ( 3.504 2.218 -1.356) 4.363 15.969 ( 4.333 4.395 0.266) 6.178 16.339 ( 2.901 3.667 0.047) 4.676 20.010 ( -0.059 -23.053 0.001) 23.053 21.630 ( -10.894 1.985 -2.548) 11.363======================= Grid point 3 (4/322) =======================q-point: ( 0.23 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.276 ( 6.311 -9.290 0.935) 11.270 1.854 ( 12.541 -20.862 2.175) 24.438 2.696 ( -1.227 -0.527 -1.499) 2.007 2.865 ( 2.608 -9.047 -1.290) 9.504 3.116 ( 3.173 -9.725 1.153) 10.294 3.258 ( -1.941 -15.219 -1.217) 15.390 3.382 ( 2.192 -13.544 -0.563) 13.732 3.616 ( 0.716 -5.146 -9.063) 10.447 3.682 ( -1.956 -6.779 -1.488) 7.211 3.836 ( -0.143 -8.991 4.763) 10.176 4.046 ( 2.065 -5.763 3.680) 7.143 4.334 ( -0.221 -1.928 -1.017) 2.191 4.636 ( 2.699 1.001 2.877) 4.069 4.817 ( -4.442 2.364 0.868) 5.106 5.341 ( -5.618 -3.448 1.502) 6.761 5.474 ( 3.523 -4.395 0.099) 5.634 5.876 ( 0.234 -29.673 -1.223) 29.699 6.245 ( -9.141 -2.060 -2.428) 9.680 6.751 ( -11.417 -25.995 0.369) 28.394 7.023 ( -6.704 15.614 -0.542) 17.001 7.153 ( 4.382 15.593 0.365) 16.201 7.766 ( 8.224 -0.028 0.194) 8.226 8.675 ( -0.189 12.855 5.365) 13.931 9.170 ( 4.874 1.499 -2.339) 5.610 9.312 ( -0.760 12.347 -3.257) 12.792 9.847 ( -2.865 12.206 -1.283) 12.603 10.266 ( 2.564 -2.560 0.616) 3.675 10.464 ( 1.038 13.528 -1.495) 13.650 11.266 ( -1.220 -13.818 2.569) 14.107 11.675 ( -4.487 -27.887 -0.670) 28.253 14.576 ( 7.724 -2.833 -0.071) 8.227 14.773 ( 6.610 1.240 0.605) 6.752 15.924 ( 3.477 2.172 -0.010) 4.099 16.299 ( 3.881 2.216 0.365) 4.484 20.463 ( -0.060 -22.205 -0.084) 22.205 21.506 ( -5.578 5.200 -1.029) 7.695======================= Grid point 4 (5/322) =======================q-point: ( 0.31 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.367 ( 6.209 4.135 -1.052) 7.534 2.255 ( 8.474 -13.325 0.752) 15.809 2.623 ( -2.723 4.597 -1.225) 5.482 2.999 ( 2.104 -4.686 -2.218) 5.595 3.293 ( 3.084 -6.346 0.928) 7.116 3.418 ( -4.047 -6.862 -0.790) 8.006 3.609 ( -3.355 -5.601 -5.808) 8.739 3.719 ( -3.199 -4.869 -0.388) 5.839 3.793 ( 2.857 -10.101 -2.370) 10.761 4.084 ( 7.201 -6.536 5.275) 11.063 4.185 ( 2.735 -5.765 0.147) 6.382 4.380 ( -1.285 -3.443 -1.689) 4.045 4.630 ( 5.976 2.799 7.368) 9.891 4.787 ( -2.690 -4.438 -0.137) 5.192 5.328 ( -7.257 0.605 -0.095) 7.283 5.578 ( 2.213 -4.469 0.437) 5.006 6.146 ( -15.293 -1.028 0.378) 15.332 6.311 ( -2.542 -4.110 -1.180) 4.975 6.709 ( 1.389 4.135 1.079) 4.493 6.963 ( 2.423 2.816 -1.262) 3.924 7.307 ( -8.616 -25.725 -0.564) 27.136 7.852 ( 11.835 -2.352 0.114) 12.067 8.435 ( -0.806 11.139 4.421) 12.012 9.035 ( -2.013 10.438 -3.477) 11.184 9.146 ( 3.323 5.906 -1.943) 7.050 9.613 ( -2.858 9.349 -0.635) 9.796 10.199 ( 1.483 12.851 -0.143) 12.937 10.320 ( 1.068 -2.055 0.710) 2.423 11.599 ( 1.871 -18.582 1.370) 18.726 12.145 ( -7.934 -22.898 -1.570) 24.285 14.653 ( 1.993 -2.037 -3.265) 4.334 14.826 ( 8.979 -1.566 3.423) 9.736 15.936 ( 3.745 -1.425 -0.106) 4.009 16.299 ( 3.997 0.471 0.641) 4.075 20.846 ( -0.013 -16.555 -0.208) 16.557 21.370 ( -1.800 6.172 -0.014) 6.429======================= Grid point 5 (6/322) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.199 ( 4.622 14.506 -2.590) 15.443 2.428 ( -0.473 0.538 -0.804) 1.077 2.563 ( 4.739 -1.489 -0.293) 4.976 3.085 ( 1.455 -3.311 -1.220) 3.817 3.392 ( -1.368 -2.954 0.091) 3.257 3.513 ( -0.028 -4.486 -0.916) 4.579 3.675 ( -2.581 -4.298 -1.867) 5.350 3.765 ( -4.543 -2.975 -2.880) 6.147 3.991 ( 0.945 -7.607 0.922) 7.720 4.143 ( 2.803 2.097 0.476) 3.532 4.282 ( 4.737 -3.038 1.607) 5.852 4.434 ( -0.556 -2.188 -1.906) 2.954 4.584 ( 3.078 4.859 6.072) 8.364 4.978 ( 2.733 -10.613 0.984) 11.004 5.281 ( -5.414 -0.990 -0.520) 5.529 5.669 ( 1.806 -3.319 0.775) 3.857 5.993 ( -14.640 5.574 1.269) 15.716 6.247 ( -1.260 3.864 -0.408) 4.085 6.737 ( 4.679 -0.950 0.131) 4.776 7.005 ( -0.354 -3.517 -0.960) 3.663 7.642 ( -4.424 -11.640 -0.085) 12.452 7.986 ( 12.445 -3.159 1.014) 12.880 8.286 ( -3.005 2.007 1.123) 3.784 8.829 ( -4.610 8.510 -2.968) 10.123 9.035 ( 2.506 6.388 -1.361) 6.995 9.449 ( -1.578 6.444 0.677) 6.668 10.017 ( 0.739 5.860 0.403) 5.921 10.387 ( 0.194 -4.500 -0.148) 4.506 11.965 ( 4.396 -15.619 1.214) 16.271 12.449 ( -8.885 -13.264 -1.788) 16.065 14.680 ( 0.969 -0.660 -2.642) 2.891 14.915 ( 5.945 -1.870 2.568) 6.740 16.018 ( 3.916 -4.252 0.066) 5.781 16.316 ( 2.762 0.219 0.604) 2.835 21.101 ( 0.018 -9.576 -0.202) 9.578 21.256 ( 0.221 4.837 0.361) 4.856======================= Grid point 6 (7/322) =======================q-point: ( 0.46 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.945 ( 1.834 9.601 -1.596) 9.904 2.366 ( -0.850 2.148 -0.310) 2.331 2.633 ( 2.832 -1.244 -0.309) 3.109 3.138 ( 0.649 -1.392 -0.231) 1.553 3.409 ( -1.780 -0.450 -0.101) 1.838 3.582 ( 0.868 -1.866 -0.430) 2.102 3.734 ( -1.705 -2.805 1.546) 3.628 3.770 ( -1.462 0.120 -3.301) 3.612 4.095 ( -0.306 -2.752 0.689) 2.854 4.115 ( 0.920 1.120 0.130) 1.455 4.367 ( 3.690 -2.670 0.665) 4.603 4.438 ( -0.666 1.313 -1.325) 1.981 4.527 ( 0.089 1.866 2.695) 3.279 5.116 ( 0.228 -2.455 0.084) 2.467 5.320 ( 0.061 -3.019 0.123) 3.022 5.714 ( -0.371 -0.375 0.571) 0.778 5.859 ( -4.088 1.658 0.493) 4.439 6.180 ( -0.965 1.879 -0.292) 2.133 6.776 ( 1.259 -0.818 0.085) 1.504 7.036 ( -0.131 -0.400 -0.334) 0.537 7.747 ( -0.116 -1.850 0.434) 1.904 8.055 ( 3.187 0.390 0.948) 3.348 8.363 ( 1.667 -7.860 -1.140) 8.115 8.630 ( -4.449 8.174 -0.908) 9.350 8.949 ( 0.911 2.704 -0.432) 2.886 9.345 ( -0.495 3.107 0.541) 3.193 9.967 ( 0.120 0.556 0.090) 0.576 10.469 ( 0.015 -2.782 -0.116) 2.785 12.217 ( 3.201 -6.500 0.729) 7.282 12.565 ( -4.873 -3.700 -0.986) 6.197 14.689 ( 0.394 -0.167 -0.932) 1.026 14.965 ( 1.927 -0.595 0.840) 2.184 16.116 ( 1.997 -2.851 0.095) 3.482 16.317 ( 0.737 0.660 0.240) 1.018 21.191 ( 0.308 1.736 0.330) 1.793 21.224 ( 0.059 -2.973 -0.219) 2.982======================= Grid point 14 (8/322) =======================q-point: ( 0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.256 ( 19.891 -0.000 8.560) 21.654 0.373 ( 30.731 -0.000 4.506) 31.060 0.727 ( 59.722 -0.000 9.215) 60.428 2.593 ( 0.649 -0.000 0.365) 0.745 2.796 ( -6.380 0.000 -0.251) 6.385 2.840 ( -0.078 0.000 -1.920) 1.921 3.036 ( -2.425 0.000 0.468) 2.470 3.046 ( 6.056 -0.000 -0.220) 6.060 3.381 ( -2.354 0.000 0.049) 2.354 3.666 ( -8.089 0.000 -6.749) 10.535 3.833 ( 1.241 -0.000 0.351) 1.289 3.894 ( 2.930 -0.000 2.035) 3.567 4.069 ( 2.759 -0.000 -6.161) 6.751 4.358 ( 2.335 -0.000 1.385) 2.715 5.135 ( -7.615 0.000 9.489) 12.166 5.246 ( 1.508 -0.000 -0.458) 1.576 5.546 ( -12.677 0.000 4.513) 13.457 5.768 ( 6.780 -0.000 -4.680) 8.238 6.589 ( -3.962 0.000 -1.547) 4.254 7.693 ( -5.320 0.000 -0.347) 5.331 7.834 ( 2.938 -0.000 -14.827) 15.115 8.248 ( 1.387 -0.000 -0.023) 1.387 8.665 ( 4.042 -0.000 0.110) 4.043 9.257 ( -2.699 0.000 8.236) 8.667 9.710 ( 0.524 -0.000 0.421) 0.672 9.848 ( 14.002 -0.000 -54.376) 56.150 10.397 ( 1.912 -0.000 0.023) 1.912 10.705 ( -0.450 0.000 -0.226) 0.503 10.857 ( -11.598 0.000 13.394) 17.717 11.207 ( 4.234 -0.000 7.521) 8.631 14.819 ( 0.013 -0.000 -3.570) 3.570 15.638 ( -0.231 0.000 5.165) 5.170 16.439 ( 3.161 -0.000 -0.186) 3.167 18.216 ( -0.178 0.000 -15.974) 15.975 19.459 ( -0.030 0.000 -0.002) 0.030 19.686 ( -0.039 0.000 -0.006) 0.040======================= Grid point 15 (9/322) =======================q-point: ( 0.15 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.627 ( 12.561 -19.122 5.114) 23.443 0.959 ( 24.236 -24.002 4.706) 34.433 1.506 ( 36.701 -40.303 4.358) 54.683 2.678 ( -2.712 -5.677 1.305) 6.426 2.761 ( -2.534 -2.743 -2.095) 4.282 2.878 ( -1.025 -3.802 -1.873) 4.360 3.095 ( -2.227 -5.390 -0.190) 5.835 3.178 ( 6.239 -8.861 -0.636) 10.855 3.503 ( -3.156 -8.807 -0.050) 9.356 3.638 ( -8.307 -5.008 -7.191) 12.075 3.891 ( -0.114 -1.804 4.440) 4.794 4.179 ( 2.230 -12.039 -1.275) 12.310 4.290 ( -7.735 -8.057 -1.127) 11.226 4.508 ( -9.762 -20.458 -3.290) 22.905 5.127 ( -5.845 -2.436 7.186) 9.578 5.245 ( -0.908 -0.797 -1.971) 2.312 5.457 ( -1.971 2.192 2.911) 4.143 5.766 ( 3.028 -4.535 -4.413) 7.015 6.515 ( -6.898 3.821 -1.540) 8.035 7.562 ( -5.481 8.857 -0.691) 10.439 7.764 ( -0.700 5.841 -4.026) 7.128 8.057 ( 3.593 16.205 0.940) 16.625 8.883 ( 3.044 -13.346 -1.457) 13.766 9.052 ( 3.236 8.351 7.467) 11.660 9.675 ( 10.646 4.948 -6.091) 13.226 10.084 ( -10.955 -11.169 -13.177) 20.455 10.362 ( -0.392 6.079 0.292) 6.099 10.545 ( 0.684 3.524 -2.649) 4.462 10.939 ( -2.900 -8.914 4.324) 10.323 11.175 ( 4.197 5.895 8.232) 10.961 14.772 ( 3.218 5.843 -3.633) 7.596 15.084 ( 41.400 36.968 10.928) 56.568 16.240 ( 27.754 28.497 3.158) 39.904 16.430 ( 4.588 3.030 -0.035) 5.499 19.618 ( -0.064 -15.458 0.023) 15.459 21.296 ( -38.616 -33.067 -9.827) 51.780======================= Grid point 16 (10/322) =======================q-point: ( 0.23 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.061 ( 10.327 -16.738 3.181) 19.923 1.539 ( 20.568 -21.281 3.920) 29.854 2.451 ( 21.412 -32.511 0.116) 38.929 2.703 ( -7.372 -3.137 0.602) 8.034 2.917 ( 3.191 -10.399 -2.429) 11.145 2.989 ( -0.230 -8.970 0.102) 8.974 3.201 ( -2.042 -7.015 -0.899) 7.362 3.426 ( 5.082 -12.540 -2.737) 13.804 3.570 ( -3.157 -3.586 -2.969) 5.625 3.709 ( -5.036 -4.291 -2.569) 7.098 3.961 ( 1.030 -4.419 4.664) 6.507 4.308 ( -0.975 -0.979 0.039) 1.382 4.543 ( -0.062 -14.442 0.508) 14.451 4.754 ( -5.199 -9.056 0.361) 10.448 5.205 ( -6.033 -7.286 3.832) 10.207 5.341 ( 1.042 -13.171 -0.533) 13.223 5.453 ( -1.310 -3.130 -1.363) 3.657 6.007 ( -5.249 -20.135 -3.820) 21.156 6.375 ( -13.401 2.435 -0.434) 13.628 7.298 ( -7.020 14.380 -1.418) 16.065 7.523 ( 0.822 17.503 0.241) 17.524 7.853 ( 6.601 5.778 0.841) 8.812 8.908 ( 0.112 9.730 7.407) 12.229 9.129 ( 4.229 -8.278 -2.069) 9.524 9.557 ( 4.496 11.443 -5.941) 13.655 10.057 ( -3.680 9.249 -1.500) 10.067 10.244 ( 1.226 -0.223 -0.598) 1.382 10.598 ( -1.939 -2.011 -6.735) 7.292 11.110 ( -0.382 0.584 8.424) 8.453 11.182 ( -1.944 -18.484 0.890) 18.607 14.663 ( 9.227 6.071 -1.237) 11.114 14.900 ( 18.475 7.781 3.056) 20.278 16.045 ( 8.545 8.168 0.518) 11.832 16.388 ( 5.329 3.836 0.199) 6.569 20.009 ( -0.104 -23.043 0.003) 23.043 21.452 ( -16.910 -6.520 -3.949) 18.549======================= Grid point 17 (11/322) =======================q-point: ( 0.31 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.373 ( 9.671 -7.881 1.055) 12.520 2.026 ( 15.173 -16.939 2.409) 22.868 2.650 ( -5.530 0.604 -1.446) 5.748 2.897 ( 2.880 -7.010 -3.461) 8.331 3.167 ( 4.372 -9.645 2.064) 10.789 3.232 ( -1.503 -10.541 -1.779) 10.796 3.395 ( 0.817 -14.029 -2.475) 14.269 3.628 ( 0.988 -3.398 -0.902) 3.652 3.642 ( 1.221 -6.509 -7.579) 10.064 3.871 ( 4.374 -16.239 4.677) 17.456 4.088 ( 2.701 -6.523 4.409) 8.324 4.319 ( -1.860 -1.256 -1.866) 2.919 4.652 ( -1.531 -1.569 1.846) 2.866 4.800 ( -0.125 2.401 3.724) 4.433 5.276 ( -5.691 -2.802 1.787) 6.590 5.488 ( -1.668 -4.514 -0.541) 4.843 5.873 ( 0.048 -29.738 -1.538) 29.778 6.113 ( -11.633 2.555 -2.564) 12.183 6.599 ( -14.205 -30.807 -0.174) 33.925 6.937 ( -7.407 15.485 -0.764) 17.182 7.221 ( 7.072 14.178 0.596) 15.855 7.866 ( 8.363 -1.602 0.496) 8.530 8.687 ( -1.164 13.083 6.558) 14.680 9.229 ( 6.320 0.942 -2.999) 7.059 9.287 ( -1.037 14.609 -4.394) 15.291 9.803 ( -3.785 12.077 -1.586) 12.756 10.302 ( 3.027 -1.524 0.855) 3.495 10.471 ( 1.069 12.005 -1.643) 12.164 11.255 ( -2.137 -15.116 3.220) 15.602 11.612 ( -5.711 -25.452 -0.892) 26.100 14.647 ( 5.276 0.402 -2.782) 5.978 14.903 ( 13.810 2.578 3.037) 14.373 15.975 ( 5.123 3.157 0.043) 6.018 16.356 ( 5.318 2.534 0.553) 5.917 20.462 ( -0.085 -22.218 -0.116) 22.218 21.425 ( -7.445 0.831 -1.360) 7.614======================= Grid point 18 (12/322) =======================q-point: ( 0.38 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.449 ( 8.508 5.913 -1.457) 10.463 2.362 ( 8.708 -8.871 0.376) 12.436 2.588 ( -2.163 1.842 -0.784) 2.947 3.004 ( -0.302 -4.843 -2.190) 5.324 3.323 ( 1.096 -4.049 -1.211) 4.366 3.387 ( -0.200 -8.249 0.950) 8.306 3.571 ( -0.691 -5.483 -4.300) 7.002 3.658 ( -5.154 -3.910 -3.241) 7.236 3.834 ( 3.981 -9.094 0.523) 9.941 4.166 ( 4.602 -4.542 2.670) 6.995 4.240 ( 6.179 -4.471 1.325) 7.741 4.349 ( -2.995 -4.725 -1.634) 5.828 4.713 ( 1.406 5.293 6.136) 8.225 4.760 ( -0.504 -10.549 1.478) 10.664 5.263 ( -2.944 0.914 0.711) 3.164 5.577 ( -2.810 -5.699 -0.563) 6.379 5.951 ( -17.375 1.944 0.300) 17.486 6.293 ( -0.407 -4.875 -0.889) 4.972 6.721 ( 0.165 -2.299 0.685) 2.404 6.986 ( 1.158 0.256 -0.411) 1.255 7.222 ( -4.320 -21.863 -1.193) 22.317 7.985 ( 10.481 -4.248 0.408) 11.316 8.429 ( -2.906 12.219 3.914) 13.156 9.000 ( -1.641 12.178 -2.962) 12.640 9.182 ( 3.804 6.338 -2.846) 7.920 9.578 ( -2.720 8.361 -0.320) 8.799 10.215 ( 1.340 12.729 -0.783) 12.824 10.331 ( 0.240 -0.888 1.509) 1.768 11.626 ( 2.085 -20.543 1.192) 20.683 12.039 ( -9.061 -21.853 -1.629) 23.713 14.673 ( 3.248 -0.640 -3.363) 4.719 14.953 ( 10.417 0.524 3.332) 10.950 15.986 ( 4.749 -1.335 0.016) 4.933 16.350 ( 4.188 1.215 0.729) 4.422 20.845 ( -0.013 -16.583 -0.249) 16.585 21.347 ( -2.090 3.910 -0.001) 4.434======================= Grid point 19 (13/322) =======================q-point: ( 0.46 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.255 ( 6.394 16.381 -2.474) 17.758 2.412 ( -1.550 2.740 -0.865) 3.265 2.629 ( 6.073 -2.372 0.096) 6.520 3.084 ( -0.972 -3.838 -0.485) 3.988 3.376 ( -0.241 -2.043 -1.666) 2.647 3.523 ( 1.378 -4.751 0.291) 4.955 3.650 ( -1.803 -4.439 -0.021) 4.791 3.716 ( -1.127 -3.956 -4.180) 5.864 4.003 ( 0.438 -6.428 1.944) 6.730 4.162 ( 0.461 2.900 -0.135) 2.939 4.340 ( 4.156 -2.696 1.387) 5.145 4.420 ( -0.760 -2.899 -1.544) 3.371 4.590 ( -4.962 5.499 2.652) 7.867 5.022 ( 3.704 -9.739 2.864) 10.806 5.260 ( 2.082 -1.993 0.438) 2.915 5.659 ( -4.062 -4.156 -0.155) 5.813 5.825 ( -13.960 0.489 0.840) 13.994 6.241 ( 0.409 4.433 0.088) 4.452 6.809 ( 6.705 -0.025 0.720) 6.744 7.002 ( 0.735 -2.489 -0.974) 2.772 7.591 ( -3.792 -14.939 -0.421) 15.418 8.114 ( 6.367 1.412 0.984) 6.595 8.249 ( -1.836 -0.823 -0.376) 2.047 8.780 ( -2.013 9.485 -1.068) 9.755 9.053 ( 1.354 6.938 -2.032) 7.355 9.435 ( -1.218 5.724 0.928) 5.925 10.026 ( 0.548 6.301 0.230) 6.329 10.385 ( -0.553 -4.462 -0.016) 4.496 12.017 ( 3.701 -15.909 0.570) 16.344 12.339 ( -8.549 -14.568 -1.360) 16.946 14.692 ( 2.500 -0.087 -2.344) 3.428 14.994 ( 6.010 0.900 2.204) 6.464 16.068 ( 4.539 -3.612 0.186) 5.804 16.346 ( 1.783 1.398 0.570) 2.336 21.101 ( 0.032 -9.599 -0.219) 9.601 21.260 ( 0.237 4.229 0.391) 4.253======================= Grid point 20 (14/322) =======================q-point: ( 0.54 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.976 ( 3.943 11.724 -0.764) 12.392 2.355 ( -0.864 1.149 -0.275) 1.464 2.659 ( 1.480 1.608 0.286) 2.204 3.131 ( -1.570 -1.417 -0.033) 2.115 3.412 ( 2.773 -1.361 -1.259) 3.335 3.586 ( -0.069 -1.201 0.680) 1.382 3.727 ( -0.748 -3.743 1.077) 3.966 3.770 ( 3.028 -1.382 -1.770) 3.770 4.091 ( -1.743 -2.233 1.404) 3.161 4.118 ( 0.208 1.114 -0.129) 1.141 4.389 ( -0.844 0.287 -1.165) 1.466 4.432 ( 0.701 1.221 -0.663) 1.556 4.490 ( -5.697 -0.096 0.385) 5.711 5.136 ( 1.722 -1.217 1.791) 2.767 5.339 ( 3.199 -1.919 0.238) 3.738 5.683 ( -4.478 -2.136 0.299) 4.970 5.806 ( -5.014 -3.223 -0.434) 5.976 6.184 ( 1.383 1.564 0.480) 2.142 6.825 ( 6.625 2.058 0.401) 6.949 7.032 ( -0.281 -0.588 -0.404) 0.767 7.746 ( -0.157 -2.416 0.189) 2.429 8.024 ( -7.279 1.212 -2.289) 7.726 8.424 ( 7.982 -7.628 1.059) 11.091 8.592 ( -1.972 7.330 0.588) 7.614 8.950 ( -0.442 3.154 -0.903) 3.311 9.343 ( -0.179 2.738 0.603) 2.810 9.969 ( 0.063 0.740 -0.027) 0.744 10.466 ( -0.533 -2.976 -0.044) 3.024 12.227 ( -1.723 -3.925 -0.825) 4.365 12.533 ( -0.248 -8.375 0.381) 8.387 14.698 ( 1.665 0.430 -0.708) 1.859 14.991 ( 2.075 1.962 0.706) 2.942 16.141 ( 2.369 -0.605 0.069) 2.446 16.318 ( -0.776 1.345 0.197) 1.565 21.195 ( 0.302 2.110 0.323) 2.156 21.224 ( 0.047 -2.969 -0.218) 2.977======================= Grid point 21 (15/322) =======================q-point: (-0.38 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.943 ( 0.297 -7.128 1.885) 7.379 2.377 ( 0.773 -3.368 0.325) 3.471 2.600 ( -2.781 3.795 0.616) 4.745 3.119 ( -2.485 1.258 0.421) 2.817 3.446 ( 4.194 0.691 -0.936) 4.353 3.574 ( -0.563 1.950 1.691) 2.642 3.758 ( 2.759 1.359 -0.633) 3.140 3.819 ( 5.127 -0.758 2.891) 5.935 4.079 ( -3.609 0.883 -1.721) 4.095 4.106 ( -0.555 1.357 1.406) 2.031 4.303 ( -6.119 2.998 -2.426) 7.233 4.449 ( 0.378 -0.798 1.346) 1.610 4.492 ( -2.486 -1.790 -3.277) 4.486 5.111 ( -1.871 4.449 0.469) 4.849 5.352 ( 5.616 1.974 0.493) 5.973 5.685 ( -4.626 0.394 -1.086) 4.768 5.896 ( 2.566 -7.932 -0.597) 8.358 6.203 ( 2.264 -1.994 0.746) 3.107 6.799 ( 5.107 4.474 0.060) 6.790 7.035 ( -0.468 -0.118 0.214) 0.529 7.730 ( -3.809 1.179 -1.182) 4.159 7.984 ( -5.505 0.853 -1.406) 5.745 8.375 ( 1.734 8.026 1.277) 8.310 8.695 ( 5.380 -9.327 2.069) 10.965 8.933 ( -1.853 -2.250 -0.076) 2.916 9.351 ( 0.687 -3.402 -0.356) 3.489 9.966 ( -0.123 -0.343 -0.161) 0.398 10.466 ( -0.478 2.641 0.148) 2.688 12.163 ( -4.796 7.294 -1.380) 8.839 12.635 ( 5.844 0.818 1.425) 6.071 14.694 ( 0.759 0.667 0.944) 1.383 14.943 ( -1.319 3.226 -0.787) 3.573 16.094 ( -1.609 4.871 -0.122) 5.132 16.302 ( -1.545 -0.013 -0.211) 1.560 21.187 ( -0.246 -1.411 -0.267) 1.457 21.224 ( -0.056 3.003 0.176) 3.009======================= Grid point 22 (16/322) =======================q-point: (-0.31 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.165 ( -2.551 -12.565 1.944) 12.968 2.426 ( -1.052 5.692 0.542) 5.814 2.529 ( -1.453 -3.787 0.430) 4.079 3.063 ( -2.534 2.965 1.196) 4.080 3.395 ( -0.516 5.347 -0.863) 5.441 3.538 ( 3.220 2.984 1.878) 4.774 3.726 ( 4.859 3.787 3.294) 6.986 3.828 ( 4.976 3.407 1.145) 6.138 3.969 ( -2.561 8.009 -0.873) 8.454 4.080 ( -7.949 0.315 -2.234) 8.263 4.237 ( -1.491 0.976 -0.489) 1.848 4.443 ( 0.003 1.855 1.858) 2.625 4.519 ( -3.696 -3.281 -5.531) 7.417 4.950 ( -1.741 9.461 -0.236) 9.623 5.368 ( 8.035 0.448 0.688) 8.077 5.623 ( -5.200 2.351 -1.152) 5.822 6.133 ( 9.232 -11.826 -1.022) 15.037 6.270 ( 2.198 -2.978 0.474) 3.731 6.711 ( 0.259 5.429 0.175) 5.438 7.011 ( 0.077 3.411 0.653) 3.474 7.671 ( -0.883 4.433 -0.705) 4.575 7.861 ( -6.842 7.896 0.049) 10.448 8.307 ( 1.514 -1.132 -1.457) 2.386 8.892 ( 4.246 -7.543 2.921) 9.136 9.007 ( -2.724 -6.064 0.611) 6.676 9.465 ( 1.422 -7.258 -0.347) 7.404 10.008 ( -0.619 -5.336 -0.386) 5.386 10.383 ( -0.576 4.629 0.181) 4.668 11.914 ( -3.467 14.759 -1.148) 15.204 12.546 ( 6.601 12.596 1.451) 14.295 14.685 ( 0.365 0.940 2.482) 2.679 14.845 ( -4.508 4.689 -2.447) 6.950 15.978 ( -2.846 4.698 -0.019) 5.492 16.283 ( -2.435 0.650 -0.456) 2.561 21.102 ( -0.005 9.564 0.141) 9.565 21.253 ( -0.156 -5.363 -0.252) 5.371======================= Grid point 23 (17/322) =======================q-point: (-0.23 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.314 ( -3.261 -2.845 0.529) 4.360 2.173 ( -4.984 16.412 -0.534) 17.161 2.651 ( 1.529 -5.455 0.817) 5.724 2.979 ( -1.992 4.626 1.296) 5.201 3.259 ( -1.998 7.205 -0.792) 7.519 3.467 ( 3.445 6.673 0.826) 7.555 3.676 ( 3.813 10.407 2.817) 11.436 3.723 ( 0.126 7.100 2.949) 7.689 3.801 ( 1.381 4.971 3.701) 6.350 3.969 ( -8.617 5.251 -8.283) 13.055 4.170 ( -0.438 7.194 0.620) 7.234 4.392 ( 0.156 3.226 0.941) 3.364 4.554 ( -3.515 -3.541 -4.182) 6.510 4.818 ( 2.430 2.194 0.297) 3.287 5.409 ( 6.274 0.511 -0.065) 6.295 5.534 ( -4.577 3.677 -0.525) 5.894 6.265 ( 4.650 7.066 -0.038) 8.459 6.374 ( 7.334 0.838 0.697) 7.415 6.689 ( -1.259 -10.070 -0.777) 10.178 6.944 ( -1.410 -0.478 0.886) 1.733 7.404 ( 7.140 24.945 0.049) 25.947 7.723 ( -9.496 0.374 0.180) 9.505 8.428 ( 0.145 -10.370 -2.779) 10.737 9.059 ( 0.391 -7.134 2.011) 7.422 9.123 ( -1.268 -7.620 1.140) 7.808 9.643 ( 1.850 -10.001 0.502) 10.183 10.184 ( -0.968 -12.788 -0.116) 12.825 10.306 ( -0.951 2.853 -0.187) 3.013 11.577 ( -1.141 17.193 -0.928) 17.256 12.224 ( 4.684 23.536 0.976) 24.018 14.643 ( -1.341 5.230 2.283) 5.862 14.736 ( -4.647 1.186 -2.437) 5.380 15.902 ( -2.156 1.444 0.088) 2.596 16.259 ( -2.430 -0.051 -0.375) 2.459 20.847 ( 0.008 16.537 0.118) 16.538 21.387 ( 1.045 -7.830 0.013) 7.900======================= Grid point 24 (18/322) =======================q-point: (-0.15 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.224 ( -2.217 10.110 -0.383) 10.357 1.742 ( -5.068 24.073 -0.906) 24.617 2.695 ( -0.912 5.258 0.623) 5.373 2.856 ( 0.035 6.840 0.193) 6.842 3.088 ( -1.167 9.426 -0.318) 9.504 3.280 ( 1.156 20.818 0.513) 20.856 3.358 ( -1.520 8.652 -0.008) 8.785 3.651 ( 0.957 9.898 8.309) 12.958 3.689 ( -0.065 6.712 -3.490) 7.565 3.833 ( 0.786 1.164 -2.171) 2.585 4.020 ( -0.838 6.124 -1.499) 6.360 4.336 ( -0.132 2.250 0.300) 2.274 4.598 ( -1.678 -1.733 -1.344) 2.761 4.870 ( 3.224 -4.041 0.266) 5.177 5.387 ( 2.915 4.719 -1.641) 5.784 5.427 ( -3.564 4.716 0.722) 5.956 5.876 ( -0.132 29.908 0.471) 29.912 6.326 ( 3.509 5.208 1.033) 6.364 6.846 ( 4.520 21.554 -0.335) 22.025 7.078 ( 1.493 -13.377 0.552) 13.472 7.125 ( 0.067 -17.641 -0.441) 17.647 7.691 ( -3.857 -1.003 -0.001) 3.985 8.663 ( -0.029 -12.712 -2.073) 12.880 9.136 ( -1.743 -1.428 0.899) 2.426 9.324 ( 0.093 -11.190 1.177) 11.253 9.873 ( 1.079 -12.176 0.496) 12.234 10.243 ( -0.990 2.852 -0.208) 3.026 10.458 ( -0.437 -14.440 0.598) 14.459 11.269 ( 0.383 13.121 -0.987) 13.164 11.714 ( 1.718 29.381 0.253) 29.432 14.498 ( -4.046 6.571 -0.572) 7.738 14.733 ( -1.279 -1.617 0.303) 2.084 15.896 ( -1.259 -1.699 0.006) 2.115 16.267 ( -1.421 -2.124 -0.127) 2.559 20.464 ( 0.022 22.198 0.030) 22.198 21.554 ( 2.079 -7.868 0.386) 8.147======================= Grid point 25 (19/322) =======================q-point: (-0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.920 ( 0.000 19.374 0.000) 19.374 1.199 ( 0.000 28.939 0.000) 28.939 2.182 ( 0.000 43.469 0.000) 43.469 2.795 ( 0.000 1.261 0.000) 1.261 2.883 ( 0.000 10.811 0.000) 10.811 2.993 ( 0.000 7.386 0.000) 7.386 3.220 ( 0.000 6.406 0.000) 6.406 3.376 ( 0.000 14.331 0.000) 14.331 3.631 ( 0.000 2.575 0.000) 2.575 3.826 ( 0.000 1.489 0.000) 1.489 3.918 ( 0.000 3.924 0.000) 3.924 4.313 ( 0.000 0.091 0.000) 0.091 4.497 ( 0.000 14.597 0.000) 14.597 4.963 ( -0.000 -2.942 -0.000) 2.942 5.240 ( 0.000 11.817 0.000) 11.817 5.313 ( 0.000 5.760 0.000) 5.760 5.380 ( 0.000 11.969 0.000) 11.969 6.095 ( 0.000 19.389 0.000) 19.389 6.573 ( 0.000 3.077 0.000) 3.077 7.366 ( -0.000 -14.297 -0.000) 14.297 7.580 ( -0.000 -24.192 -0.000) 24.192 7.723 ( -0.000 -3.277 -0.000) 3.277 8.860 ( -0.000 -6.032 -0.000) 6.032 9.102 ( 0.000 4.606 0.000) 4.606 9.491 ( -0.000 -5.173 -0.000) 5.173 10.110 ( -0.000 -11.014 -0.000) 11.014 10.242 ( -0.000 -4.972 -0.000) 4.972 10.672 ( -0.000 -3.401 -0.000) 3.401 11.064 ( 0.000 8.690 0.000) 8.690 11.195 ( 0.000 19.048 0.000) 19.048 14.368 ( 0.000 4.787 0.000) 4.787 14.769 ( -0.000 -2.199 -0.000) 2.199 15.943 ( -0.000 -3.267 -0.000) 3.267 16.322 ( -0.000 -3.646 -0.000) 3.646 20.010 ( 0.000 23.056 0.000) 23.056 21.700 ( -0.000 -5.780 -0.000) 5.780======================= Grid point 28 (20/322) =======================q-point: ( 0.15 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.516 ( 20.545 -0.000 7.891) 22.008 0.740 ( 30.072 -0.000 4.396) 30.391 1.438 ( 57.877 -0.000 7.910) 58.415 2.605 ( 0.936 -0.000 0.764) 1.208 2.691 ( -11.380 0.000 -0.204) 11.382 2.830 ( -0.243 0.000 -3.539) 3.547 2.996 ( -4.738 0.000 0.517) 4.766 3.145 ( 10.720 -0.000 0.531) 10.733 3.344 ( -3.980 0.000 0.363) 3.996 3.544 ( -8.198 0.000 -8.408) 11.743 3.854 ( 1.982 -0.000 0.571) 2.063 3.907 ( -0.727 0.000 -0.670) 0.989 4.092 ( 2.733 -0.000 -0.536) 2.785 4.395 ( 2.660 -0.000 2.115) 3.398 5.085 ( -5.208 0.000 6.868) 8.620 5.201 ( -8.568 0.000 -5.931) 10.420 5.441 ( -7.636 0.000 7.079) 10.413 5.799 ( 1.110 -0.000 -5.845) 5.950 6.522 ( -5.860 0.000 -3.197) 6.675 7.610 ( -8.373 0.000 -0.574) 8.392 7.818 ( 0.218 -0.000 -6.351) 6.355 8.269 ( 2.257 -0.000 -0.100) 2.259 8.726 ( 6.101 -0.000 0.167) 6.103 9.246 ( -2.509 0.000 3.563) 4.358 9.721 ( 0.941 -0.000 0.734) 1.194 9.847 ( 6.939 -0.000 -21.972) 23.042 10.424 ( 2.319 -0.000 0.674) 2.415 10.696 ( -0.806 0.000 -0.404) 0.901 10.749 ( -10.525 0.000 2.389) 10.792 11.280 ( 3.230 -0.000 8.621) 9.207 14.811 ( 1.572 -0.000 -5.932) 6.137 15.653 ( 0.419 -0.000 2.295) 2.333 16.493 ( 6.206 -0.000 -0.113) 6.207 18.140 ( -5.804 0.000 -10.353) 11.869 19.458 ( -0.053 0.000 -0.003) 0.053 19.686 ( -0.070 0.000 -0.011) 0.071======================= Grid point 29 (21/322) =======================q-point: ( 0.23 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.817 ( 16.732 -14.781 5.711) 23.045 1.242 ( 22.706 -23.461 4.014) 32.895 2.019 ( 46.098 -24.344 4.429) 52.319 2.603 ( -10.341 -1.508 0.204) 10.452 2.742 ( 0.016 -8.774 -0.087) 8.774 2.862 ( -0.576 -3.974 -3.172) 5.118 3.049 ( -5.313 -6.481 -0.503) 8.395 3.270 ( 8.699 -6.247 1.127) 10.769 3.456 ( -3.215 -7.259 -2.196) 8.237 3.536 ( -5.439 -7.953 -5.328) 11.010 3.901 ( 0.043 -2.724 2.685) 3.825 4.176 ( -5.378 -17.629 -2.299) 18.574 4.206 ( -0.448 -10.216 0.203) 10.228 4.478 ( 0.615 -9.882 0.859) 9.939 5.091 ( -3.754 -2.568 5.921) 7.467 5.164 ( -10.520 -4.271 -6.447) 13.056 5.407 ( -6.470 0.145 5.044) 8.205 5.770 ( -1.505 -1.134 -4.224) 4.625 6.424 ( -6.861 5.594 -3.179) 9.406 7.475 ( -8.618 8.225 -1.099) 11.963 7.751 ( 0.418 6.082 -2.614) 6.633 8.104 ( 3.710 14.214 0.885) 14.717 8.923 ( 4.007 -12.588 -0.080) 13.211 9.099 ( 1.417 8.689 5.566) 10.416 9.769 ( 8.609 6.658 -7.390) 13.155 9.952 ( -6.005 -13.376 -6.297) 15.958 10.356 ( -1.407 8.843 1.025) 9.013 10.540 ( 0.197 2.308 -2.597) 3.479 10.898 ( -4.535 -10.986 0.763) 11.910 11.238 ( 1.462 6.492 8.710) 10.961 14.786 ( 3.130 3.015 -5.830) 7.272 15.422 ( 14.728 23.623 4.727) 28.236 16.496 ( 7.367 4.139 -0.098) 8.450 16.627 ( 31.393 54.901 3.299) 63.328 19.617 ( -0.090 -15.439 0.033) 15.439 20.851 ( -31.462 -46.111 -8.100) 56.407======================= Grid point 30 (22/322) =======================q-point: ( 0.31 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.212 ( 13.793 -14.455 3.371) 20.262 1.784 ( 19.251 -18.807 3.483) 27.137 2.576 ( -8.418 -3.384 -1.498) 9.195 2.719 ( 14.780 -16.592 -2.253) 22.334 2.971 ( 7.721 -13.962 1.254) 16.003 2.988 ( 1.737 -10.726 -1.461) 10.963 3.163 ( -3.765 -8.510 -1.256) 9.390 3.477 ( 3.042 -10.612 -0.365) 11.046 3.562 ( 5.536 -5.480 -3.527) 8.551 3.654 ( -2.607 -6.592 -0.509) 7.108 3.988 ( 1.151 -5.001 3.918) 6.456 4.287 ( -2.485 -1.470 -0.443) 2.921 4.529 ( -1.545 -13.722 0.933) 13.840 4.723 ( -2.636 -11.360 1.153) 11.718 5.163 ( -2.882 -5.371 3.751) 7.157 5.317 ( -4.697 -20.232 -4.343) 21.219 5.391 ( -7.507 -2.600 0.471) 7.958 5.920 ( -8.835 -19.724 -2.263) 21.730 6.226 ( -10.570 8.263 -1.811) 13.538 7.195 ( -9.187 14.384 -2.005) 17.185 7.561 ( 4.984 14.434 0.884) 15.295 7.923 ( 4.886 4.771 0.912) 6.890 8.923 ( -1.482 10.255 7.717) 12.919 9.179 ( 4.987 -8.253 -2.939) 10.080 9.582 ( 3.502 13.944 -6.268) 15.684 10.005 ( -4.406 8.843 -1.376) 9.975 10.268 ( 3.141 -3.998 -0.033) 5.084 10.562 ( -1.268 -2.020 -4.793) 5.354 11.120 ( -2.015 2.825 6.583) 7.441 11.155 ( -3.231 -17.107 1.307) 17.459 14.724 ( 5.151 4.115 -4.312) 7.877 15.147 ( 18.356 13.452 4.090) 23.122 16.167 ( 11.819 14.574 0.699) 18.776 16.461 ( 6.887 4.435 0.488) 8.207 20.008 ( -0.124 -23.030 0.005) 23.030 21.236 ( -17.376 -14.974 -4.044) 23.292======================= Grid point 31 (23/322) =======================q-point: ( 0.38 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.503 ( 12.063 -6.036 0.804) 13.513 2.207 ( 14.250 -13.650 1.894) 19.824 2.568 ( -7.794 -1.365 -0.874) 7.961 2.897 ( -0.634 -5.120 -4.218) 6.664 3.198 ( -0.897 -10.445 1.484) 10.588 3.232 ( 2.922 -6.657 -1.614) 7.447 3.397 ( 1.998 -12.105 -4.055) 12.922 3.569 ( -5.114 -1.589 -3.295) 6.288 3.717 ( 8.216 -6.506 -1.055) 10.533 3.981 ( 12.138 -18.213 4.302) 22.306 4.134 ( 3.001 -9.114 4.252) 10.495 4.280 ( -3.182 0.028 -2.117) 3.822 4.628 ( -3.133 -2.505 1.481) 4.276 4.799 ( -3.023 1.691 3.484) 4.913 5.239 ( -1.414 -2.898 2.469) 4.061 5.427 ( -8.133 -5.802 -1.735) 10.140 5.868 ( -0.137 -29.547 -1.253) 29.574 5.973 ( -10.575 6.212 -1.843) 12.402 6.434 ( -13.591 -34.291 -0.822) 36.895 6.852 ( -6.549 13.505 -1.080) 15.048 7.318 ( 9.080 13.269 1.100) 16.116 7.954 ( 6.235 -3.296 0.608) 7.079 8.682 ( -3.175 13.807 5.293) 15.123 9.243 ( -1.220 7.446 -3.353) 8.256 9.317 ( 7.416 9.483 -3.502) 12.537 9.753 ( -3.856 11.476 -1.386) 12.185 10.336 ( 2.318 0.506 0.702) 2.474 10.478 ( 0.672 10.371 -0.993) 10.440 11.236 ( -2.826 -16.973 2.900) 17.449 11.543 ( -5.357 -22.849 -0.920) 23.486 14.695 ( 5.146 1.309 -3.486) 6.352 15.077 ( 13.414 5.058 3.122) 14.672 16.042 ( 6.270 4.640 0.212) 7.803 16.421 ( 5.400 3.247 0.647) 6.334 20.460 ( -0.089 -22.233 -0.121) 22.233 21.333 ( -7.430 -3.923 -1.341) 8.509======================= Grid point 32 (24/322) =======================q-point: ( 0.46 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.551 ( 9.614 7.925 -1.552) 12.556 2.426 ( 1.315 -1.683 -0.943) 2.334 2.591 ( 3.494 -4.730 0.851) 5.942 2.983 ( -1.720 -5.186 -1.503) 5.667 3.317 ( 0.096 -4.072 -1.903) 4.495 3.412 ( 2.591 -7.969 1.163) 8.460 3.547 ( -2.946 -4.105 -2.399) 5.593 3.606 ( -0.091 -6.118 -4.607) 7.659 3.881 ( 3.053 -6.567 2.264) 7.587 4.206 ( 1.292 0.037 -0.286) 1.324 4.277 ( -2.624 -5.571 0.374) 6.169 4.358 ( 7.048 -3.657 1.666) 8.113 4.664 ( -7.268 3.487 -0.304) 8.067 4.806 ( 3.173 -11.661 5.855) 13.428 5.275 ( 3.677 -0.111 1.743) 4.071 5.508 ( -8.295 -7.155 -1.651) 11.079 5.765 ( -14.170 3.611 0.131) 14.624 6.294 ( 0.860 -5.160 -0.401) 5.247 6.716 ( -1.119 -6.441 0.083) 6.538 6.968 ( -3.985 -16.689 0.156) 17.159 7.225 ( 5.180 -5.635 -0.725) 7.688 8.090 ( 7.176 -5.797 0.488) 9.238 8.385 ( -6.211 13.578 1.353) 14.992 8.992 ( 1.393 12.596 -0.260) 12.676 9.208 ( 2.299 7.865 -3.838) 9.048 9.552 ( -1.579 7.290 0.221) 7.463 10.224 ( 0.860 12.455 -1.342) 12.557 10.333 ( -0.957 0.251 2.070) 2.294 11.653 ( 2.010 -22.672 0.638) 22.770 11.933 ( -8.244 -20.515 -1.239) 22.144 14.707 ( 4.268 0.123 -2.882) 5.151 15.076 ( 8.680 2.793 2.571) 9.474 16.045 ( 5.354 -1.151 0.267) 5.483 16.395 ( 3.047 2.269 0.621) 3.849 20.844 ( -0.009 -16.614 -0.233) 16.616 21.323 ( -1.891 1.600 0.014) 2.477======================= Grid point 33 (25/322) =======================q-point: ( 0.54 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.327 ( 6.725 17.830 -1.752) 19.136 2.390 ( -1.794 2.589 -0.775) 3.244 2.690 ( 3.794 -0.845 0.503) 3.919 3.068 ( -1.304 -4.020 -0.282) 4.236 3.386 ( 3.027 -2.751 -1.758) 4.452 3.539 ( 0.936 -3.852 0.501) 3.995 3.621 ( -2.885 -5.834 -0.024) 6.508 3.723 ( 3.745 -4.721 -3.190) 6.818 4.004 ( -2.591 -5.053 2.779) 6.322 4.158 ( 0.130 2.479 -0.941) 2.655 4.380 ( 1.618 -2.049 1.195) 2.871 4.406 ( -1.680 -2.351 -1.285) 3.162 4.519 ( -5.272 5.554 0.614) 7.682 5.064 ( 1.381 -8.161 3.169) 8.863 5.320 ( 6.754 -1.950 0.740) 7.069 5.580 ( -8.414 -4.894 -0.054) 9.734 5.690 ( -9.497 -3.325 -0.427) 10.071 6.255 ( 1.563 4.376 0.556) 4.680 6.874 ( 3.165 -3.913 0.736) 5.086 7.034 ( 5.621 1.315 -0.219) 5.777 7.558 ( -1.638 -17.082 -0.366) 17.164 8.081 ( -8.856 9.809 -2.100) 13.381 8.290 ( 6.053 -8.276 0.520) 10.266 8.784 ( 2.493 10.606 1.467) 10.994 9.050 ( -0.695 7.249 -2.593) 7.730 9.427 ( -0.621 5.406 0.930) 5.521 10.031 ( 0.235 6.519 0.028) 6.523 10.375 ( -1.058 -4.563 0.096) 4.685 12.047 ( 1.281 -14.093 -0.560) 14.162 12.254 ( -5.353 -17.644 -0.231) 18.439 14.720 ( 3.257 0.498 -1.732) 3.722 15.062 ( 4.495 3.000 1.533) 5.618 16.124 ( 4.932 -2.929 0.342) 5.747 16.358 ( -0.069 2.740 0.363) 2.765 21.100 ( 0.035 -9.626 -0.185) 9.628 21.263 ( 0.200 3.677 0.330) 3.697======================= Grid point 34 (26/322) =======================q-point: ( 0.62 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.024 ( 4.122 13.179 -0.076) 13.809 2.345 ( -0.730 0.368 -0.221) 0.847 2.669 ( 0.108 3.536 0.557) 3.581 3.108 ( -2.052 -1.033 -0.268) 2.313 3.459 ( 5.398 -1.978 -1.145) 5.862 3.588 ( 0.073 -0.719 1.562) 1.721 3.721 ( -0.374 -5.087 -0.194) 5.104 3.819 ( 5.286 -2.795 -0.264) 5.985 4.043 ( -6.789 -1.628 0.143) 6.983 4.131 ( 1.430 1.368 0.891) 2.170 4.331 ( -5.928 3.497 -2.736) 7.406 4.447 ( 1.320 -0.303 -1.863) 2.303 4.453 ( -0.805 -0.727 2.541) 2.763 5.137 ( -2.256 -0.516 1.184) 2.600 5.401 ( 6.733 -0.875 0.412) 6.802 5.625 ( -5.565 -3.500 0.142) 6.575 5.746 ( -4.506 -6.459 -0.733) 7.910 6.207 ( 1.929 1.271 0.724) 2.421 6.914 ( 7.144 1.839 0.855) 7.427 7.034 ( 1.452 1.007 -0.469) 1.828 7.738 ( -1.777 0.424 -0.146) 1.832 7.915 ( -8.198 -2.173 -2.856) 8.949 8.518 ( 6.115 -10.118 1.295) 11.893 8.588 ( 1.012 10.413 1.445) 10.561 8.935 ( -1.469 3.255 -1.107) 3.739 9.344 ( 0.022 2.367 0.479) 2.416 9.969 ( 0.011 0.842 -0.086) 0.846 10.458 ( -0.709 -3.165 0.007) 3.244 12.187 ( -3.592 -2.069 -1.283) 4.339 12.550 ( 1.965 -11.872 0.850) 12.063 14.719 ( 2.021 0.978 -0.407) 2.282 15.014 ( 1.490 3.807 0.446) 4.112 16.172 ( 2.875 1.938 0.071) 3.468 16.300 ( -2.267 1.395 0.099) 2.663 21.199 ( 0.224 2.467 0.241) 2.489 21.224 ( 0.025 -3.011 -0.166) 3.015======================= Grid point 35 (27/322) =======================q-point: (-0.31 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.957 ( 0.886 -5.078 1.271) 5.309 2.385 ( 0.511 -4.601 0.231) 4.635 2.576 ( -1.578 5.481 0.438) 5.720 3.091 ( -2.072 1.223 0.244) 2.418 3.481 ( 1.938 2.755 -0.868) 3.479 3.589 ( 2.012 0.701 2.104) 2.994 3.794 ( 3.619 -0.933 0.482) 3.768 3.895 ( 5.561 -0.941 1.111) 5.749 4.008 ( -6.504 0.990 -1.768) 6.812 4.084 ( -4.339 3.110 0.353) 5.350 4.245 ( -1.661 1.860 -1.529) 2.925 4.452 ( -0.252 -0.443 0.363) 0.625 4.469 ( -0.423 -0.476 -1.125) 1.292 5.081 ( -2.514 4.836 0.125) 5.452 5.433 ( 7.022 1.180 0.406) 7.132 5.615 ( -6.220 0.521 -0.836) 6.298 5.915 ( 0.941 -11.760 -0.313) 11.802 6.228 ( 1.428 -1.985 0.574) 2.512 6.880 ( 7.583 7.101 0.231) 10.392 7.026 ( -1.171 -0.667 -0.006) 1.348 7.650 ( -7.624 1.503 -1.385) 7.893 7.950 ( -0.417 0.121 -0.329) 0.544 8.396 ( 1.186 8.417 0.545) 8.518 8.757 ( 3.837 -9.880 1.796) 10.750 8.909 ( -1.863 -1.782 -0.409) 2.610 9.357 ( 0.521 -3.620 -0.154) 3.661 9.964 ( -0.069 -0.180 -0.122) 0.228 10.461 ( -0.469 2.569 0.103) 2.614 12.111 ( -3.143 7.207 -0.964) 7.922 12.696 ( 3.594 -0.635 0.919) 3.763 14.708 ( 0.918 0.967 0.626) 1.473 14.930 ( -0.658 5.193 -0.501) 5.258 16.079 ( -0.929 6.462 -0.093) 6.529 16.284 ( -1.235 0.285 -0.121) 1.273 21.184 ( -0.136 -1.191 -0.149) 1.208 21.224 ( -0.034 3.034 0.098) 3.035======================= Grid point 36 (28/322) =======================q-point: (-0.23 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.150 ( -0.781 -11.290 0.718) 11.340 2.415 ( -0.647 9.869 0.189) 9.892 2.523 ( -0.110 -7.405 0.197) 7.408 3.042 ( -1.184 2.831 0.465) 3.104 3.385 ( -0.502 6.452 -0.348) 6.480 3.578 ( 1.983 2.786 0.959) 3.552 3.809 ( 7.200 2.570 4.809) 9.032 3.884 ( 4.159 5.007 -1.150) 6.610 3.921 ( -5.018 4.646 -1.641) 7.032 3.965 ( -8.209 4.188 -2.402) 9.524 4.238 ( 0.545 -0.136 0.511) 0.760 4.448 ( -0.065 1.919 1.247) 2.290 4.476 ( -1.330 -2.045 -2.635) 3.591 4.937 ( -0.421 7.895 0.003) 7.906 5.452 ( 5.562 0.591 0.265) 5.600 5.556 ( -4.851 1.736 -0.580) 5.185 6.198 ( 2.639 -15.588 -0.369) 15.814 6.291 ( 0.907 -3.233 0.204) 3.364 6.732 ( 1.953 9.691 0.100) 9.887 7.011 ( -0.115 3.125 0.214) 3.134 7.625 ( -3.778 -2.173 -0.492) 4.386 7.835 ( 0.148 12.532 0.261) 12.535 8.315 ( 0.460 -0.470 -0.619) 0.903 8.941 ( 3.051 -6.545 1.701) 7.419 8.977 ( -2.593 -6.300 -0.377) 6.823 9.477 ( 0.590 -7.789 -0.092) 7.812 10.002 ( -0.236 -4.980 -0.157) 4.988 10.377 ( -0.303 4.740 0.080) 4.750 11.883 ( -1.311 14.164 -0.467) 14.232 12.603 ( 2.432 12.240 0.554) 12.492 14.699 ( 0.585 0.483 1.299) 1.504 14.801 ( -1.910 7.022 -1.289) 7.390 15.955 ( -1.069 4.923 -0.005) 5.037 16.262 ( -0.964 1.103 -0.169) 1.474 21.102 ( -0.000 9.562 0.050) 9.562 21.251 ( -0.056 -5.669 -0.090) 5.670======================= Grid point 37 (29/322) =======================q-point: (-0.15 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.296 ( -0.000 -2.364 -0.000) 2.364 2.142 ( 0.000 17.652 0.000) 17.652 2.662 ( -0.000 -5.581 -0.000) 5.581 2.968 ( 0.000 4.533 0.000) 4.533 3.246 ( 0.000 7.425 0.000) 7.425 3.491 ( 0.000 6.480 0.000) 6.480 3.682 ( 0.000 16.169 0.000) 16.169 3.771 ( 0.000 4.956 0.000) 4.956 3.838 ( 0.000 1.379 0.000) 1.379 3.859 ( 0.000 5.184 0.000) 5.184 4.170 ( 0.000 7.857 0.000) 7.857 4.393 ( 0.000 3.223 0.000) 3.223 4.527 ( -0.000 -3.693 -0.000) 3.693 4.835 ( 0.000 1.192 0.000) 1.192 5.462 ( 0.000 0.868 0.000) 0.868 5.488 ( 0.000 3.685 0.000) 3.685 6.287 ( 0.000 8.585 0.000) 8.585 6.428 ( 0.000 0.853 0.000) 0.853 6.680 ( -0.000 -12.552 -0.000) 12.552 6.937 ( 0.000 0.523 0.000) 0.523 7.452 ( 0.000 25.405 0.000) 25.405 7.660 ( -0.000 -1.483 -0.000) 1.483 8.425 ( -0.000 -10.084 -0.000) 10.084 9.062 ( -0.000 -5.104 -0.000) 5.104 9.119 ( -0.000 -9.077 -0.000) 9.077 9.655 ( -0.000 -10.222 -0.000) 10.222 10.178 ( -0.000 -12.738 -0.000) 12.738 10.299 ( 0.000 3.134 0.000) 3.134 11.569 ( 0.000 16.693 0.000) 16.693 12.254 ( 0.000 23.744 0.000) 23.744 14.638 ( 0.000 8.211 0.000) 8.211 14.706 ( -0.000 -0.712 -0.000) 0.712 15.889 ( 0.000 1.443 0.000) 1.443 16.244 ( 0.000 0.082 0.000) 0.082 20.847 ( 0.000 16.531 0.000) 16.531 21.393 ( -0.000 -8.440 -0.000) 8.440======================= Grid point 42 (30/322) =======================q-point: ( 0.23 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.783 ( 21.394 -0.000 6.785) 22.444 1.096 ( 28.936 -0.000 4.208) 29.240 2.109 ( 53.574 -0.000 4.709) 53.780 2.537 ( -14.714 0.000 0.435) 14.720 2.616 ( 0.182 -0.000 1.040) 1.056 2.811 ( -1.228 0.000 -4.128) 4.306 2.933 ( -5.766 0.000 -0.361) 5.777 3.280 ( 9.128 -0.000 3.629) 9.823 3.295 ( -4.606 0.000 0.944) 4.701 3.447 ( -1.350 0.000 -8.528) 8.634 3.880 ( 2.137 -0.000 0.630) 2.228 3.885 ( -2.317 0.000 -0.973) 2.513 4.118 ( 1.689 -0.000 0.069) 1.691 4.421 ( 0.263 -0.000 1.876) 1.894 5.026 ( -13.996 0.000 -2.849) 14.283 5.071 ( -2.712 0.000 1.354) 3.031 5.389 ( -6.339 0.000 5.567) 8.437 5.751 ( -6.641 0.000 -4.985) 8.304 6.448 ( -4.321 0.000 -4.442) 6.197 7.505 ( -8.943 0.000 -0.650) 8.966 7.802 ( -0.301 0.000 -3.162) 3.176 8.297 ( 2.435 -0.000 -0.225) 2.445 8.799 ( 6.188 -0.000 0.182) 6.190 9.220 ( -3.381 0.000 1.528) 3.710 9.736 ( 1.157 -0.000 0.866) 1.446 9.878 ( 7.118 -0.000 -9.804) 12.116 10.447 ( 0.304 -0.000 1.955) 1.978 10.639 ( -8.027 0.000 -1.333) 8.137 10.684 ( -0.989 0.000 -0.494) 1.105 11.325 ( -0.085 0.000 7.668) 7.669 14.825 ( 4.408 -0.000 -6.504) 7.857 15.658 ( -0.588 0.000 0.951) 1.118 16.581 ( 8.881 -0.000 0.362) 8.889 18.020 ( -9.473 0.000 -8.935) 13.022 19.458 ( -0.064 0.000 -0.003) 0.064 19.685 ( -0.084 0.000 -0.014) 0.085======================= Grid point 43 (31/322) =======================q-point: ( 0.31 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.043 ( 19.108 -11.511 5.161) 22.896 1.518 ( 22.859 -20.068 3.678) 30.639 2.448 ( -11.083 -2.862 -1.736) 11.578 2.539 ( 31.245 -11.152 1.100) 33.194 2.761 ( 5.378 -11.609 2.288) 12.998 2.843 ( -0.214 -4.991 -3.487) 6.092 2.980 ( -5.255 -6.976 -1.531) 8.868 3.334 ( -0.142 -4.404 2.546) 5.089 3.443 ( -2.081 -11.755 1.689) 12.057 3.515 ( 10.168 -5.418 -5.020) 12.568 3.907 ( -0.334 -4.229 1.459) 4.486 4.120 ( -2.868 -16.302 0.568) 16.562 4.211 ( 0.336 -9.498 -0.653) 9.527 4.482 ( -0.935 -8.286 0.818) 8.378 4.976 ( -15.755 -6.218 -5.257) 17.735 5.091 ( -0.343 -2.271 2.804) 3.625 5.341 ( -7.623 1.066 3.324) 8.384 5.691 ( -9.965 -1.216 -3.179) 10.531 6.349 ( -3.784 6.935 -3.779) 8.758 7.366 ( -9.052 8.575 -1.387) 12.546 7.758 ( 1.850 4.108 -1.146) 4.649 8.145 ( 2.872 13.196 0.655) 13.521 8.969 ( 3.508 -10.123 1.166) 10.777 9.119 ( -0.280 5.808 2.564) 6.355 9.807 ( 2.176 6.004 -8.759) 10.839 9.925 ( 2.791 -10.063 1.033) 10.493 10.332 ( -3.032 9.012 0.567) 9.526 10.539 ( 0.835 1.209 -1.460) 2.072 10.849 ( -3.827 -11.893 -0.410) 12.500 11.259 ( -2.056 6.833 6.974) 9.977 14.818 ( 5.545 2.726 -5.687) 8.398 15.529 ( 4.032 12.477 1.748) 13.229 16.591 ( 8.940 4.433 0.544) 9.993 16.928 ( 18.844 56.046 0.371) 59.130 19.616 ( -0.096 -15.417 0.034) 15.417 20.525 ( -21.265 -45.890 -5.501) 50.876======================= Grid point 44 (32/322) =======================q-point: ( 0.38 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.397 ( 16.038 -12.038 2.888) 20.260 2.007 ( 17.382 -16.491 2.867) 24.131 2.442 ( -12.949 -4.632 -0.617) 13.766 2.779 ( -0.594 -6.166 -5.352) 8.187 2.983 ( -0.637 -10.769 2.116) 10.994 3.098 ( -0.185 -7.649 -2.577) 8.073 3.153 ( 11.440 -14.288 -3.771) 18.688 3.485 ( -0.967 -6.233 -1.650) 6.519 3.618 ( 3.301 -8.512 2.169) 9.384 3.751 ( 20.510 -12.295 2.939) 24.093 4.005 ( -0.432 -5.191 2.616) 5.829 4.255 ( -2.545 -1.632 0.150) 3.027 4.526 ( 0.188 -12.849 2.087) 13.019 4.673 ( -6.242 -10.244 -0.232) 11.999 5.158 ( -0.496 -4.355 1.919) 4.785 5.193 ( -12.617 -21.357 -4.281) 25.172 5.323 ( -4.456 -9.041 0.323) 10.084 5.777 ( -14.627 -18.756 -1.288) 23.821 6.134 ( -4.379 11.592 -1.983) 12.549 7.084 ( -8.467 13.735 -2.130) 16.275 7.638 ( 7.588 11.852 1.331) 14.136 7.967 ( 2.044 3.779 0.632) 4.342 8.922 ( -2.539 10.843 6.061) 12.679 9.214 ( 2.690 -7.077 -3.504) 8.343 9.612 ( 4.990 13.440 -4.231) 14.948 9.946 ( -4.980 9.355 -1.183) 10.664 10.315 ( 4.644 -6.280 0.512) 7.827 10.537 ( -1.092 -1.053 -2.866) 3.243 11.104 ( -3.851 4.552 5.201) 7.912 11.119 ( -3.187 -17.063 0.325) 17.361 14.774 ( 5.858 3.760 -4.095) 8.076 15.320 ( 9.836 11.379 2.379) 15.228 16.310 ( 11.616 20.387 0.538) 23.470 16.546 ( 7.218 5.807 0.776) 9.296 20.006 ( -0.117 -23.015 0.006) 23.015 21.038 ( -14.160 -21.065 -3.280) 25.593======================= Grid point 45 (33/322) =======================q-point: ( 0.46 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.652 ( 12.985 -3.777 0.403) 13.529 2.348 ( 7.059 -8.572 0.291) 11.108 2.479 ( -5.147 -6.467 0.721) 8.296 2.867 ( -1.810 -5.341 -3.361) 6.565 3.191 ( -0.557 -9.009 1.249) 9.112 3.247 ( 0.119 -9.163 -1.544) 9.293 3.425 ( 5.020 -10.009 -4.557) 12.089 3.502 ( -4.588 -0.927 -2.617) 5.363 3.799 ( 5.519 -5.500 1.055) 7.863 4.105 ( 0.784 -7.993 2.205) 8.329 4.190 ( 4.936 -6.969 0.217) 8.543 4.297 ( 11.934 -8.304 3.701) 15.003 4.583 ( -5.396 -1.399 0.454) 5.593 4.760 ( -4.377 -0.017 3.274) 5.466 5.243 ( -1.389 -4.644 -0.322) 4.858 5.300 ( -10.752 -7.017 -0.944) 12.874 5.846 ( -5.502 -0.556 0.368) 5.542 5.885 ( -0.989 -20.701 -1.619) 20.787 6.285 ( -11.227 -36.587 -1.283) 38.293 6.781 ( -4.955 11.207 -1.120) 12.305 7.434 ( 9.779 12.722 1.543) 16.120 8.010 ( 2.961 -4.960 0.367) 5.788 8.646 ( -4.879 15.362 2.627) 16.331 9.226 ( -0.146 7.167 -1.530) 7.330 9.391 ( 6.644 10.831 -3.100) 13.079 9.708 ( -3.150 9.971 -0.807) 10.487 10.358 ( 1.278 2.897 0.322) 3.183 10.480 ( 0.073 9.426 -0.113) 9.427 11.210 ( -2.780 -19.244 1.977) 19.544 11.486 ( -3.941 -20.713 -0.764) 21.098 14.746 ( 5.193 1.739 -2.870) 6.183 15.215 ( 8.579 5.993 2.057) 10.665 16.117 ( 6.357 6.198 0.381) 8.887 16.480 ( 4.215 4.386 0.594) 6.112 20.459 ( -0.073 -22.248 -0.098) 22.248 21.251 ( -5.834 -7.972 -1.042) 9.933======================= Grid point 46 (34/322) =======================q-point: ( 0.54 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.654 ( 8.486 10.053 -1.205) 13.211 2.403 ( -3.370 -0.294 -0.965) 3.517 2.646 ( 3.782 -6.262 1.115) 7.400 2.967 ( -0.150 -5.528 -0.994) 5.619 3.328 ( 2.470 -5.170 -0.171) 5.733 3.435 ( 0.484 -8.759 -0.171) 8.774 3.496 ( -3.284 -2.729 -1.864) 4.659 3.625 ( 4.742 -7.413 -3.970) 9.654 3.899 ( -2.694 -3.850 3.216) 5.694 4.189 ( -1.143 -0.148 -2.191) 2.475 4.272 ( 1.094 -6.627 1.743) 6.940 4.426 ( 0.847 2.481 0.811) 2.744 4.594 ( -2.542 3.439 -0.245) 4.284 4.867 ( 5.059 -12.806 5.351) 14.773 5.317 ( -0.369 -3.533 -1.699) 3.937 5.394 ( -7.664 -7.666 0.261) 10.843 5.636 ( -7.755 5.064 0.090) 9.262 6.307 ( 1.431 -5.307 -0.022) 5.497 6.701 ( -1.278 -8.526 -0.150) 8.622 6.915 ( -4.366 -27.812 -0.161) 28.153 7.310 ( 8.205 3.128 0.495) 8.795 8.146 ( 1.938 -5.610 -0.014) 5.935 8.309 ( -5.837 13.994 -0.440) 15.169 9.030 ( 4.189 11.750 2.531) 12.728 9.205 ( -0.688 9.715 -4.567) 10.757 9.543 ( -0.143 6.602 0.507) 6.623 10.227 ( 0.516 12.412 -1.342) 12.495 10.323 ( -1.591 0.792 1.889) 2.593 11.677 ( 1.902 -24.803 0.099) 24.876 11.845 ( -6.117 -18.898 -0.633) 19.874 14.749 ( 3.914 0.622 -1.937) 4.411 15.163 ( 5.045 4.216 1.505) 6.744 16.108 ( 4.943 -1.005 0.429) 5.063 16.422 ( 1.283 3.511 0.367) 3.756 20.843 ( -0.004 -16.642 -0.165) 16.643 21.305 ( -1.298 -0.251 0.018) 1.322======================= Grid point 47 (35/322) =======================q-point: ( 0.62 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.391 ( 4.531 18.817 -0.832) 19.373 2.369 ( -1.313 1.887 -0.497) 2.352 2.717 ( 0.839 0.313 0.504) 1.028 3.056 ( -0.552 -3.370 -0.457) 3.445 3.435 ( 5.698 -3.461 -0.555) 6.690 3.547 ( 0.196 -3.714 0.968) 3.843 3.589 ( -2.526 -7.091 -0.899) 7.581 3.769 ( 5.439 -4.949 -2.344) 7.718 3.940 ( -9.033 -3.735 1.876) 9.952 4.186 ( 5.063 1.623 0.218) 5.321 4.348 ( -6.546 2.233 -1.389) 7.054 4.391 ( 0.072 -3.896 0.695) 3.958 4.507 ( 1.216 3.742 0.518) 3.969 5.077 ( -0.100 -4.944 2.143) 5.390 5.394 ( 4.987 -3.782 -0.941) 6.330 5.493 ( -5.926 -6.194 1.129) 8.646 5.599 ( -5.616 -4.465 -0.728) 7.212 6.275 ( 1.277 4.136 0.490) 4.356 6.891 ( 0.307 -6.563 0.221) 6.573 7.113 ( 6.481 2.369 0.565) 6.924 7.551 ( 0.506 -18.119 0.011) 18.126 7.960 ( -9.033 11.750 -2.531) 15.035 8.347 ( 3.180 -8.881 0.467) 9.444 8.836 ( 4.617 11.824 2.478) 12.933 9.022 ( -2.563 6.722 -2.631) 7.660 9.426 ( -0.153 5.488 0.588) 5.521 10.032 ( 0.039 6.561 -0.050) 6.562 10.363 ( -0.849 -4.733 0.097) 4.809 12.045 ( -0.821 -10.800 -0.934) 10.871 12.216 ( -1.493 -21.689 0.435) 21.745 14.751 ( 2.394 0.935 -0.916) 2.729 15.104 ( 2.168 4.136 0.754) 4.730 16.181 ( 4.254 -2.731 0.358) 5.068 16.348 ( -1.564 4.225 0.090) 4.506 21.100 ( 0.023 -9.648 -0.106) 9.648 21.266 ( 0.114 3.297 0.189) 3.304======================= Grid point 48 (36/322) =======================q-point: (-0.31 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.060 ( 1.767 13.935 0.073) 14.047 2.338 ( -0.302 -0.109 -0.091) 0.334 2.669 ( -0.150 4.214 0.265) 4.225 3.088 ( -0.931 -0.668 -0.188) 1.161 3.510 ( 2.824 -1.065 -0.568) 3.071 3.601 ( 1.066 -0.850 1.413) 1.963 3.716 ( -0.361 -7.045 -0.443) 7.068 3.873 ( 3.383 -2.916 -0.472) 4.491 3.960 ( -5.631 -2.916 0.054) 6.341 4.148 ( 0.836 4.760 0.599) 4.870 4.275 ( -2.226 1.702 -1.099) 3.009 4.447 ( 0.041 -1.782 -0.150) 1.789 4.464 ( 0.504 1.532 0.419) 1.666 5.113 ( -1.521 -0.051 0.381) 1.569 5.477 ( 5.526 -0.811 -0.153) 5.587 5.560 ( -5.130 -3.080 0.219) 5.988 5.708 ( -1.585 -8.911 -0.235) 9.054 6.226 ( 0.796 1.196 0.319) 1.472 6.966 ( 1.460 -1.884 0.391) 2.416 7.069 ( 3.264 5.072 -0.046) 6.032 7.699 ( -3.388 7.069 -0.578) 7.861 7.852 ( -1.748 -9.185 -0.841) 9.388 8.556 ( 0.779 -8.861 0.328) 8.901 8.622 ( 2.374 10.101 0.983) 10.422 8.916 ( -0.985 2.899 -0.591) 3.118 9.345 ( 0.035 2.132 0.183) 2.140 9.969 ( -0.003 0.873 -0.045) 0.874 10.451 ( -0.326 -3.282 0.010) 3.298 12.152 ( -1.572 -1.514 -0.542) 2.248 12.570 ( 0.938 -13.310 0.362) 13.348 14.737 ( 0.928 1.317 -0.127) 1.616 15.027 ( 0.504 4.693 0.148) 4.722 16.205 ( 2.429 5.373 0.055) 5.897 16.271 ( -2.305 -0.473 0.005) 2.353 21.202 ( 0.083 2.705 0.091) 2.708 21.224 ( 0.007 -3.071 -0.063) 3.071======================= Grid point 49 (37/322) =======================q-point: (-0.23 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.965 ( -0.000 -4.278 -0.000) 4.278 2.389 ( -0.000 -5.173 -0.000) 5.173 2.568 ( 0.000 6.104 0.000) 6.104 3.079 ( 0.000 1.220 0.000) 1.220 3.489 ( 0.000 3.806 0.000) 3.806 3.610 ( 0.000 0.247 0.000) 0.247 3.836 ( -0.000 -4.442 -0.000) 4.442 3.897 ( 0.000 0.943 0.000) 0.943 3.995 ( -0.000 -0.711 -0.000) 0.711 4.033 ( 0.000 6.290 0.000) 6.290 4.239 ( 0.000 1.174 0.000) 1.174 4.450 ( -0.000 -0.045 -0.000) 0.045 4.466 ( -0.000 -0.161 -0.000) 0.161 5.066 ( 0.000 4.636 0.000) 4.636 5.490 ( 0.000 1.010 0.000) 1.010 5.561 ( 0.000 0.524 0.000) 0.524 5.919 ( -0.000 -12.892 -0.000) 12.892 6.237 ( -0.000 -1.924 -0.000) 1.924 6.937 ( 0.000 9.087 0.000) 9.087 7.014 ( -0.000 -1.943 -0.000) 1.943 7.594 ( 0.000 1.589 0.000) 1.589 7.951 ( -0.000 -0.363 -0.000) 0.363 8.404 ( 0.000 8.595 0.000) 8.595 8.784 ( -0.000 -10.331 -0.000) 10.331 8.896 ( -0.000 -1.271 -0.000) 1.271 9.360 ( -0.000 -3.711 -0.000) 3.711 9.963 ( -0.000 -0.120 -0.000) 0.120 10.458 ( 0.000 2.550 0.000) 2.550 12.091 ( 0.000 7.114 0.000) 7.114 12.719 ( -0.000 -1.110 -0.000) 1.110 14.715 ( 0.000 1.054 0.000) 1.054 14.925 ( 0.000 5.927 0.000) 5.927 16.073 ( 0.000 7.104 0.000) 7.104 16.276 ( 0.000 0.331 0.000) 0.331 21.183 ( -0.000 -1.113 -0.000) 1.113 21.224 ( 0.000 3.046 0.000) 3.046======================= Grid point 56 (38/322) =======================q-point: ( 0.31 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.055 ( 22.112 -0.000 5.326) 22.745 1.435 ( 27.252 -0.000 3.933) 27.534 2.338 ( -17.017 0.000 -0.861) 17.039 2.602 ( -4.049 0.000 0.312) 4.061 2.705 ( 43.567 -0.000 0.003) 43.567 2.771 ( -3.750 0.000 -1.723) 4.127 2.877 ( -2.355 0.000 -2.901) 3.737 3.246 ( -4.303 0.000 1.455) 4.542 3.305 ( -2.122 0.000 2.697) 3.432 3.545 ( 16.977 -0.000 0.345) 16.981 3.855 ( -2.067 0.000 -0.505) 2.128 3.906 ( 1.835 -0.000 0.553) 1.917 4.131 ( 0.673 -0.000 -0.537) 0.861 4.409 ( -2.916 0.000 1.180) 3.145 4.836 ( -14.637 0.000 -4.798) 15.403 5.073 ( 0.154 -0.000 1.971) 1.977 5.314 ( -8.968 0.000 3.194) 9.520 5.617 ( -13.233 0.000 -3.892) 13.793 6.401 ( -1.395 0.000 -4.182) 4.409 7.406 ( -7.651 0.000 -0.585) 7.674 7.793 ( 0.036 -0.000 -1.507) 1.507 8.322 ( 2.029 -0.000 -0.326) 2.055 8.866 ( 5.043 -0.000 0.169) 5.046 9.180 ( -3.781 0.000 0.449) 3.808 9.752 ( 1.112 -0.000 0.795) 1.367 9.948 ( 8.366 -0.000 -3.710) 9.152 10.424 ( -5.871 0.000 2.132) 6.246 10.578 ( -1.038 0.000 -2.165) 2.401 10.671 ( -0.950 0.000 -0.472) 1.060 11.325 ( -3.402 0.000 5.610) 6.561 14.872 ( 6.761 -0.000 -5.441) 8.679 15.644 ( -2.059 0.000 0.116) 2.062 16.698 ( 10.685 -0.000 1.165) 10.749 17.869 ( -11.590 0.000 -7.922) 14.039 19.457 ( -0.060 0.000 -0.003) 0.060 19.684 ( -0.079 0.000 -0.013) 0.080======================= Grid point 57 (39/322) =======================q-point: ( 0.38 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.287 ( 20.295 -9.054 3.989) 22.578 1.792 ( 22.241 -16.239 3.385) 27.746 2.266 ( -17.121 -3.602 -0.486) 17.503 2.630 ( -6.665 -5.844 -2.780) 9.290 2.807 ( -1.278 -6.268 0.955) 6.468 2.931 ( -1.628 -6.409 -2.955) 7.242 3.025 ( 22.104 -8.336 -6.005) 24.375 3.343 ( 1.290 -7.137 1.668) 7.442 3.431 ( 3.076 -12.623 3.433) 13.439 3.704 ( 18.996 -6.068 4.495) 20.442 3.905 ( 0.522 -5.491 0.484) 5.537 4.110 ( 0.110 -13.902 1.831) 14.022 4.208 ( -0.309 -9.304 -0.731) 9.337 4.463 ( -2.264 -9.231 0.431) 9.515 4.779 ( -14.711 -5.307 -4.780) 16.353 5.092 ( -1.963 -2.063 -0.941) 2.998 5.251 ( -8.602 0.807 3.522) 9.330 5.535 ( -14.070 -1.344 -3.030) 14.456 6.313 ( -0.944 7.618 -2.770) 8.161 7.265 ( -7.321 9.342 -1.267) 11.936 7.784 ( 2.652 1.201 -0.282) 2.925 8.173 ( 1.644 13.115 0.343) 13.222 9.010 ( 2.411 -7.643 2.321) 8.343 9.110 ( -1.564 3.075 -0.505) 3.486 9.799 ( 0.854 1.381 -4.218) 4.520 9.980 ( 4.764 -1.076 0.907) 4.967 10.297 ( -2.645 5.336 -0.032) 5.956 10.548 ( 0.973 1.637 -0.257) 1.922 10.810 ( -2.435 -11.874 -0.712) 12.142 11.238 ( -4.316 6.916 4.534) 9.328 14.875 ( 6.634 2.972 -4.254) 8.422 15.552 ( -0.035 7.584 0.529) 7.602 16.702 ( 9.414 5.837 1.252) 11.147 17.073 ( 7.151 47.150 -1.703) 47.720 19.615 ( -0.079 -15.396 0.028) 15.396 20.316 ( -12.769 -41.757 -3.292) 43.790======================= Grid point 58 (40/322) =======================q-point: ( 0.46 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.596 ( 16.620 -9.532 2.029) 19.267 2.196 ( 11.195 -11.952 1.650) 16.459 2.287 ( -10.707 -8.015 0.334) 13.379 2.720 ( -6.123 -7.609 -3.879) 10.508 2.982 ( -0.666 -10.981 1.793) 11.146 3.066 ( -1.706 -8.373 -2.353) 8.863 3.254 ( 6.802 -9.385 -4.635) 12.483 3.451 ( -3.102 -2.629 -1.628) 4.380 3.694 ( 8.399 -9.177 0.727) 12.462 3.982 ( -4.269 -5.686 1.535) 7.274 4.069 ( 27.951 -11.576 6.175) 30.877 4.242 ( 0.413 -2.767 2.286) 3.613 4.541 ( 0.877 -11.014 2.123) 11.251 4.590 ( -6.920 -8.607 -1.069) 11.095 5.019 ( -14.659 -16.182 -3.405) 22.098 5.140 ( -3.252 -9.715 -3.546) 10.841 5.298 ( -0.395 -15.287 3.544) 15.697 5.592 ( -15.047 -17.807 -2.093) 23.407 6.101 ( -1.087 12.362 -0.844) 12.439 6.993 ( -5.942 13.008 -1.682) 14.399 7.739 ( 8.762 9.646 1.526) 13.121 7.971 ( -1.630 3.200 0.006) 3.591 8.904 ( -2.790 12.020 3.467) 12.817 9.223 ( 0.933 -5.845 -2.776) 6.537 9.671 ( 6.427 11.417 -1.839) 13.230 9.882 ( -5.454 9.784 -0.957) 11.242 10.375 ( 5.163 -6.917 0.718) 8.661 10.515 ( -1.552 -0.070 -1.495) 2.156 11.066 ( -4.716 5.558 3.911) 8.272 11.090 ( -1.714 -17.408 -0.827) 17.512 14.830 ( 5.248 3.996 -2.770) 7.154 15.400 ( 3.660 8.150 1.047) 8.995 16.425 ( 7.720 22.609 0.198) 23.892 16.626 ( 5.703 7.666 0.734) 9.583 20.005 ( -0.082 -23.003 0.006) 23.003 20.894 ( -9.045 -24.653 -2.085) 26.343======================= Grid point 59 (41/322) =======================q-point: ( 0.54 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.795 ( 10.670 -0.947 0.105) 10.712 2.316 ( -7.468 -5.484 -0.621) 9.286 2.509 ( 5.048 -9.699 1.332) 11.014 2.842 ( -0.946 -7.271 -1.855) 7.563 3.195 ( 0.109 -9.704 2.160) 9.942 3.233 ( -0.975 -10.077 -2.259) 10.373 3.452 ( -2.778 -1.060 -1.405) 3.289 3.477 ( 5.486 -9.724 -3.341) 11.654 3.845 ( 1.471 -2.024 1.506) 2.921 4.062 ( -4.711 -7.690 0.021) 9.018 4.241 ( 4.163 -0.880 0.172) 4.258 4.483 ( 0.709 2.199 0.794) 2.443 4.553 ( 12.733 -10.498 3.002) 16.774 4.739 ( -0.274 -3.012 4.456) 5.386 5.091 ( -16.870 -9.165 -5.719) 20.032 5.276 ( 0.282 -5.367 1.335) 5.538 5.789 ( -3.564 8.989 0.503) 9.683 5.897 ( 2.042 -30.588 -0.350) 30.659 6.171 ( -7.283 -37.744 -1.137) 38.457 6.733 ( -2.736 9.511 -0.730) 9.924 7.542 ( 7.340 12.612 1.345) 14.654 8.026 ( 0.006 -6.407 -0.051) 6.407 8.597 ( -3.733 16.940 0.698) 17.361 9.228 ( 0.584 5.050 -0.155) 5.086 9.443 ( 3.640 14.591 -2.134) 15.189 9.678 ( -1.615 7.444 -0.171) 7.619 10.369 ( 0.584 4.553 0.083) 4.591 10.479 ( -0.310 9.547 0.239) 9.555 11.188 ( -1.737 -21.303 0.932) 21.394 11.449 ( -2.041 -19.378 -0.438) 19.490 14.791 ( 3.485 2.049 -1.588) 4.343 15.289 ( 3.580 5.856 0.925) 6.926 16.182 ( 4.204 7.110 0.310) 8.266 16.519 ( 2.231 5.617 0.364) 6.055 20.458 ( -0.041 -22.259 -0.054) 22.259 21.195 ( -3.177 -10.630 -0.563) 11.109======================= Grid point 60 (42/322) =======================q-point: ( 0.62 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.726 ( 3.668 11.843 -0.458) 12.407 2.365 ( -1.975 -1.935 -0.335) 2.784 2.674 ( 0.833 -5.238 0.424) 5.321 2.969 ( 0.480 -5.504 -0.405) 5.540 3.369 ( 3.733 -7.052 1.458) 8.111 3.414 ( -2.988 -8.783 -1.656) 9.424 3.475 ( -0.273 -3.003 -0.437) 3.047 3.682 ( 6.042 -7.868 -2.696) 10.280 3.837 ( -7.300 -0.608 2.286) 7.674 4.198 ( 2.022 -5.196 -0.419) 5.591 4.300 ( 3.009 -3.130 0.683) 4.395 4.381 ( -5.785 4.016 -0.407) 7.054 4.599 ( 1.048 4.577 0.180) 4.699 4.961 ( 7.099 -8.937 3.948) 12.077 5.213 ( -9.105 -12.188 -3.648) 15.644 5.382 ( 0.292 -4.954 0.959) 5.055 5.584 ( -1.685 6.318 0.186) 6.542 6.321 ( 0.729 -5.106 0.051) 5.158 6.690 ( -0.494 -9.561 -0.076) 9.574 6.877 ( -1.782 -32.003 -0.141) 32.053 7.390 ( 4.121 5.126 0.508) 6.597 8.136 ( -1.982 0.965 -0.543) 2.271 8.272 ( -0.757 8.236 -0.070) 8.271 9.093 ( 4.400 9.468 3.663) 11.065 9.167 ( -3.058 12.174 -4.251) 13.252 9.547 ( 0.226 6.477 0.247) 6.486 10.229 ( 0.232 12.747 -0.596) 12.763 10.312 ( -0.840 0.637 0.802) 1.325 11.696 ( 1.220 -27.330 -0.084) 27.357 11.791 ( -2.698 -16.606 -0.129) 16.824 14.779 ( 1.634 0.887 -0.683) 1.981 15.203 ( 1.509 4.780 0.477) 5.035 16.153 ( 2.194 -1.073 0.226) 2.452 16.430 ( 0.153 4.530 0.104) 4.534 20.843 ( -0.001 -16.659 -0.059) 16.659 21.294 ( -0.460 -1.271 0.008) 1.352======================= Grid point 61 (43/322) =======================q-point: ( 0.69 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.417 ( 0.000 19.205 0.000) 19.205 2.360 ( 0.000 1.512 0.000) 1.512 2.721 ( 0.000 0.569 0.000) 0.569 3.052 ( -0.000 -2.893 -0.000) 2.893 3.482 ( -0.000 -2.621 -0.000) 2.621 3.555 ( -0.000 -8.375 -0.000) 8.375 3.560 ( -0.000 -4.082 -0.000) 4.082 3.833 ( -0.000 -2.408 -0.000) 2.408 3.846 ( -0.000 -6.073 -0.000) 6.073 4.258 ( 0.000 5.245 0.000) 5.245 4.268 ( -0.000 -1.089 -0.000) 1.089 4.392 ( -0.000 -3.885 -0.000) 3.885 4.517 ( 0.000 3.596 0.000) 3.596 5.081 ( -0.000 -2.763 -0.000) 2.763 5.417 ( -0.000 -9.513 -0.000) 9.513 5.463 ( -0.000 -2.900 -0.000) 2.900 5.564 ( -0.000 -4.339 -0.000) 4.339 6.283 ( 0.000 4.038 0.000) 4.038 6.892 ( -0.000 -6.984 -0.000) 6.984 7.157 ( 0.000 1.394 0.000) 1.394 7.558 ( -0.000 -18.401 -0.000) 18.401 7.895 ( 0.000 12.992 0.000) 12.992 8.366 ( -0.000 -8.903 -0.000) 8.903 8.877 ( 0.000 13.326 0.000) 13.326 8.994 ( 0.000 5.322 0.000) 5.322 9.426 ( 0.000 5.598 0.000) 5.598 10.032 ( 0.000 6.556 0.000) 6.556 10.358 ( -0.000 -4.819 -0.000) 4.819 12.036 ( -0.000 -9.630 -0.000) 9.630 12.210 ( -0.000 -23.102 -0.000) 23.102 14.764 ( 0.000 1.100 0.000) 1.100 15.118 ( 0.000 4.461 0.000) 4.461 16.210 ( -0.000 -3.246 -0.000) 3.246 16.334 ( 0.000 5.408 0.000) 5.408 21.100 ( -0.000 -9.656 -0.000) 9.656 21.267 ( 0.000 3.162 0.000) 3.162======================= Grid point 71 (44/322) =======================q-point: ( 0.38 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.327 ( 22.258 -0.000 3.688) 22.562 1.750 ( 24.792 -0.000 3.540) 25.044 2.120 ( -19.661 0.000 -0.501) 19.668 2.502 ( -12.590 0.000 -1.522) 12.681 2.736 ( -1.678 0.000 0.799) 1.858 2.858 ( 0.449 -0.000 -3.653) 3.680 3.052 ( 14.706 -0.000 -7.958) 16.721 3.207 ( -3.159 0.000 1.421) 3.464 3.376 ( 15.181 -0.000 4.545) 15.846 3.735 ( 6.206 -0.000 6.582) 9.046 3.877 ( 12.375 -0.000 1.259) 12.438 3.925 ( 1.223 -0.000 0.374) 1.279 4.135 ( 0.801 -0.000 -0.953) 1.244 4.368 ( -4.192 0.000 0.884) 4.284 4.676 ( -10.193 0.000 -3.164) 10.673 5.042 ( -7.980 0.000 -4.698) 9.260 5.223 ( -6.354 0.000 5.854) 8.640 5.450 ( -12.027 0.000 -3.756) 12.600 6.384 ( -0.007 0.000 -2.648) 2.648 7.329 ( -5.092 0.000 -0.403) 5.108 7.792 ( 0.395 -0.000 -0.624) 0.738 8.340 ( 1.285 -0.000 -0.306) 1.321 8.915 ( 3.236 -0.000 0.124) 3.238 9.140 ( -3.003 0.000 0.030) 3.003 9.765 ( 0.802 -0.000 0.551) 0.973 10.041 ( 8.352 -0.000 -0.860) 8.396 10.344 ( -7.568 0.000 0.592) 7.591 10.584 ( 1.759 -0.000 -0.737) 1.907 10.660 ( -0.685 0.000 -0.339) 0.764 11.290 ( -4.501 0.000 3.151) 5.494 14.939 ( 6.635 -0.000 -3.424) 7.467 15.614 ( -2.738 0.000 -0.241) 2.749 16.829 ( 10.421 -0.000 1.826) 10.580 17.712 ( -11.164 0.000 -6.215) 12.778 19.456 ( -0.043 0.000 -0.002) 0.043 19.683 ( -0.056 0.000 -0.009) 0.057======================= Grid point 72 (45/322) =======================q-point: ( 0.46 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.533 ( 19.823 -6.941 2.568) 21.159 2.030 ( 1.009 -8.550 0.934) 8.659 2.079 ( 1.481 -9.549 1.571) 9.790 2.492 ( -14.356 -7.444 -2.761) 16.406 2.801 ( -0.511 -6.866 0.958) 6.951 2.916 ( 0.055 -5.604 -2.280) 6.050 3.136 ( 3.761 -4.780 -4.510) 7.572 3.337 ( -1.665 -8.858 0.130) 9.014 3.572 ( 15.265 -8.978 -0.316) 17.712 3.809 ( -4.698 -7.827 3.929) 9.938 4.063 ( 23.277 -7.450 4.735) 24.895 4.127 ( 1.791 -12.324 2.374) 12.677 4.202 ( -0.105 -8.794 -0.035) 8.795 4.442 ( -1.236 -12.974 0.374) 13.039 4.623 ( -9.063 -1.811 -2.827) 9.665 4.974 ( -15.593 -1.363 -6.632) 17.000 5.214 ( -0.600 -0.772 6.294) 6.369 5.381 ( -9.374 -0.687 -3.635) 10.078 6.303 ( 0.028 7.775 -1.275) 7.879 7.194 ( -4.079 10.055 -0.759) 10.878 7.812 ( 2.040 -1.539 0.040) 2.556 8.186 ( 0.579 13.705 0.100) 13.718 9.040 ( 1.273 -5.503 3.317) 6.550 9.086 ( -1.469 1.194 -2.710) 3.306 9.802 ( 0.858 -0.707 -1.432) 1.813 10.025 ( 2.295 6.500 0.405) 6.905 10.278 ( -0.587 -0.864 -0.139) 1.054 10.556 ( 0.461 2.626 0.237) 2.676 10.789 ( -0.961 -11.537 -0.508) 11.588 11.199 ( -3.671 6.841 2.098) 8.043 14.934 ( 4.769 3.426 -2.205) 6.273 15.544 ( -1.130 5.231 0.077) 5.352 16.808 ( 7.313 7.479 1.495) 10.566 17.104 ( 0.298 39.017 -2.075) 39.073 19.615 ( -0.044 -15.382 0.016) 15.382 20.201 ( -5.933 -38.117 -1.519) 38.606======================= Grid point 73 (46/322) =======================q-point: ( 0.54 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.776 ( 11.640 -6.481 0.937) 13.356 2.109 ( -10.647 -9.315 -0.444) 14.154 2.366 ( 8.471 -8.497 1.573) 12.101 2.632 ( -5.845 -12.584 -1.902) 14.005 2.980 ( -0.340 -10.915 0.661) 10.940 3.049 ( -0.343 -8.213 -0.975) 8.278 3.294 ( 2.180 -9.878 -1.673) 10.253 3.418 ( -1.550 -1.613 -0.598) 2.315 3.801 ( 9.392 -6.900 -0.445) 11.663 3.909 ( -8.084 -4.009 0.698) 9.051 4.234 ( 1.331 -1.988 0.452) 2.435 4.427 ( 21.814 -13.365 6.523) 26.401 4.522 ( -3.023 -1.086 -0.786) 3.307 4.558 ( 0.524 -15.836 1.302) 15.898 4.825 ( -15.635 -7.607 -4.309) 17.913 5.085 ( -2.828 -22.197 -2.412) 22.506 5.328 ( 2.839 -16.608 3.960) 17.308 5.442 ( -8.412 -15.798 -2.869) 18.126 6.094 ( -0.111 12.607 -0.143) 12.608 6.941 ( -2.153 12.570 -0.650) 12.769 7.843 ( 7.886 9.022 1.319) 12.055 7.929 ( -5.234 2.261 -0.737) 5.748 8.886 ( -1.258 12.946 1.045) 13.049 9.224 ( 0.257 -5.341 -0.979) 5.437 9.743 ( 6.335 9.719 -0.352) 11.607 9.814 ( -5.831 10.296 -0.492) 11.843 10.433 ( 3.946 -8.324 0.578) 9.230 10.489 ( -2.342 1.988 -0.700) 3.151 11.032 ( -2.088 5.801 1.290) 6.299 11.074 ( -0.613 -17.486 -0.333) 17.500 14.869 ( 2.177 4.299 -0.967) 4.915 15.425 ( 0.750 6.359 0.282) 6.409 16.486 ( 2.613 22.874 0.035) 23.023 16.675 ( 2.171 8.784 0.288) 9.053 20.005 ( -0.030 -22.997 0.002) 22.997 20.819 ( -3.093 -26.255 -0.711) 26.446======================= Grid point 74 (47/322) =======================q-point: ( 0.62 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.867 ( 0.000 1.264 0.000) 1.264 2.260 ( -0.000 -7.795 -0.000) 7.795 2.543 ( -0.000 -7.899 -0.000) 7.899 2.834 ( -0.000 -8.759 -0.000) 8.759 3.201 ( -0.000 -11.240 -0.000) 11.240 3.221 ( -0.000 -9.088 -0.000) 9.088 3.433 ( -0.000 -1.235 -0.000) 1.235 3.509 ( -0.000 -10.686 -0.000) 10.686 3.850 ( 0.000 2.369 0.000) 2.369 4.033 ( -0.000 -10.028 -0.000) 10.028 4.272 ( -0.000 -1.661 -0.000) 1.661 4.449 ( 0.000 4.182 0.000) 4.182 4.670 ( 0.000 0.362 0.000) 0.362 4.854 ( -0.000 -6.162 -0.000) 6.162 4.870 ( -0.000 -16.299 -0.000) 16.299 5.280 ( -0.000 -5.543 -0.000) 5.543 5.769 ( 0.000 8.438 0.000) 8.438 5.912 ( -0.000 -30.831 -0.000) 30.831 6.123 ( -0.000 -38.031 -0.000) 38.031 6.716 ( 0.000 8.893 0.000) 8.893 7.591 ( 0.000 12.773 0.000) 12.773 8.023 ( -0.000 -7.090 -0.000) 7.090 8.575 ( 0.000 17.526 0.000) 17.526 9.232 ( 0.000 4.000 0.000) 4.000 9.461 ( 0.000 16.771 0.000) 16.771 9.669 ( 0.000 5.911 0.000) 5.911 10.373 ( 0.000 5.084 0.000) 5.084 10.477 ( 0.000 9.836 0.000) 9.836 11.179 ( -0.000 -22.159 -0.000) 22.159 11.436 ( -0.000 -18.932 -0.000) 18.932 14.810 ( 0.000 2.172 0.000) 2.172 15.310 ( 0.000 5.691 0.000) 5.691 16.208 ( 0.000 7.319 0.000) 7.319 16.533 ( 0.000 6.189 0.000) 6.189 20.458 ( -0.000 -22.263 -0.000) 22.263 21.176 ( -0.000 -11.551 -0.000) 11.551======================= Grid point 86 (48/322) =======================q-point: ( 0.46 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.586 ( 19.473 -0.000 1.985) 19.574 1.888 ( -18.624 0.000 -0.855) 18.643 2.023 ( 18.980 -0.000 2.670) 19.167 2.324 ( -15.287 0.000 -2.077) 15.427 2.728 ( -0.333 0.000 0.531) 0.627 2.856 ( 0.461 -0.000 -1.549) 1.616 3.100 ( 1.184 -0.000 -2.667) 2.919 3.185 ( -1.190 0.000 0.609) 1.337 3.577 ( 13.953 -0.000 -1.591) 14.043 3.719 ( -6.511 0.000 3.460) 7.373 3.935 ( 0.428 -0.000 0.132) 0.448 4.078 ( 8.467 -0.000 1.639) 8.624 4.172 ( 7.796 -0.000 2.244) 8.113 4.331 ( -2.137 0.000 0.613) 2.223 4.596 ( -1.960 0.000 -0.544) 2.034 4.866 ( -13.820 0.000 -5.340) 14.816 5.217 ( 0.330 -0.000 4.533) 4.545 5.338 ( -4.869 0.000 -3.043) 5.742 6.380 ( 0.105 -0.000 -0.867) 0.873 7.288 ( -1.781 0.000 -0.144) 1.787 7.796 ( 0.237 -0.000 -0.161) 0.287 8.350 ( 0.432 -0.000 -0.127) 0.450 8.941 ( 1.110 -0.000 0.046) 1.111 9.115 ( -1.146 0.000 -0.027) 1.147 9.773 ( 0.292 -0.000 0.196) 0.352 10.125 ( 5.486 -0.000 0.043) 5.487 10.267 ( -5.107 0.000 -0.027) 5.107 10.600 ( 0.945 -0.000 -0.110) 0.951 10.654 ( -0.250 0.000 -0.123) 0.278 11.254 ( -2.138 0.000 0.961) 2.344 14.991 ( 2.896 -0.000 -1.141) 3.113 15.587 ( -1.387 0.000 -0.147) 1.395 16.931 ( 5.127 -0.000 1.136) 5.251 17.594 ( -5.408 0.000 -2.661) 6.028 19.456 ( -0.015 0.000 -0.001) 0.015 19.682 ( -0.020 0.000 -0.003) 0.021======================= Grid point 87 (49/322) =======================q-point: ( 0.54 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.708 ( -0.000 -4.539 -0.000) 4.539 1.889 ( -0.000 -7.394 -0.000) 7.394 2.291 ( -0.000 -16.566 -0.000) 16.566 2.295 ( -0.000 -3.339 -0.000) 3.339 2.799 ( -0.000 -6.932 -0.000) 6.932 2.913 ( -0.000 -5.338 -0.000) 5.338 3.146 ( -0.000 -5.031 -0.000) 5.031 3.326 ( -0.000 -8.901 -0.000) 8.901 3.718 ( -0.000 -3.783 -0.000) 3.783 3.728 ( -0.000 -10.566 -0.000) 10.566 4.135 ( -0.000 -11.622 -0.000) 11.622 4.192 ( -0.000 -10.670 -0.000) 10.670 4.274 ( -0.000 -7.998 -0.000) 7.998 4.435 ( -0.000 -16.580 -0.000) 16.580 4.573 ( 0.000 1.877 0.000) 1.877 4.817 ( -0.000 -0.913 -0.000) 0.913 5.233 ( -0.000 -1.370 -0.000) 1.370 5.313 ( -0.000 -0.009 -0.000) 0.009 6.301 ( 0.000 7.763 0.000) 7.763 7.169 ( 0.000 10.348 0.000) 10.348 7.825 ( -0.000 -2.733 -0.000) 2.733 8.189 ( 0.000 14.120 0.000) 14.120 9.060 ( -0.000 -9.528 -0.000) 9.528 9.065 ( 0.000 5.418 0.000) 5.418 9.805 ( -0.000 -1.520 -0.000) 1.520 10.038 ( 0.000 10.010 0.000) 10.010 10.276 ( -0.000 -4.103 -0.000) 4.103 10.559 ( 0.000 3.131 0.000) 3.131 10.783 ( -0.000 -11.346 -0.000) 11.346 11.179 ( 0.000 6.795 0.000) 6.795 14.960 ( 0.000 3.671 0.000) 3.671 15.536 ( 0.000 4.459 0.000) 4.459 16.858 ( 0.000 8.101 0.000) 8.101 17.096 ( 0.000 35.994 0.000) 35.994 19.614 ( -0.000 -15.377 -0.000) 15.377 20.165 ( -0.000 -36.743 -0.000) 36.743======================= Grid point 175 (50/322) =======================q-point: ( 0.00 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.399 ( 1.489 -0.000 19.465) 19.522 0.447 ( 10.319 -0.000 21.766) 24.088 0.730 ( 0.810 -0.000 35.424) 35.433 2.509 ( 1.694 -0.000 -7.214) 7.411 2.863 ( -2.091 0.000 1.660) 2.670 2.876 ( 1.903 -0.000 -0.174) 1.911 2.948 ( -0.859 0.000 -1.667) 1.875 3.062 ( -0.047 0.000 0.801) 0.803 3.418 ( -0.610 0.000 2.305) 2.385 3.684 ( -8.843 0.000 -4.440) 9.895 3.815 ( 0.854 -0.000 -0.979) 1.299 3.929 ( 3.164 -0.000 5.232) 6.114 4.333 ( 2.599 -0.000 -0.800) 2.719 4.478 ( -25.876 0.000 -3.444) 26.105 5.141 ( 6.689 -0.000 -3.214) 7.421 5.296 ( 12.642 -0.000 1.971) 12.794 5.590 ( 6.438 -0.000 -2.674) 6.971 5.723 ( -8.094 0.000 1.502) 8.232 6.697 ( -3.082 0.000 8.182) 8.744 7.729 ( -0.622 0.000 0.255) 0.673 8.200 ( -27.314 0.000 0.645) 27.322 8.268 ( -9.069 0.000 2.867) 9.512 8.640 ( 0.185 -0.000 -0.008) 0.186 8.819 ( 16.896 -0.000 -2.591) 17.094 9.715 ( 0.440 -0.000 0.821) 0.932 9.925 ( -43.981 0.000 -3.128) 44.092 10.367 ( -0.085 0.000 -1.754) 1.756 10.700 ( -0.145 0.000 -0.782) 0.795 11.176 ( -1.182 0.000 1.266) 1.731 11.490 ( -32.633 0.000 0.739) 32.641 14.620 ( 109.317 -0.000 0.493) 109.318 14.819 ( -0.730 0.000 -0.576) 0.930 16.060 ( 13.306 -0.000 0.754) 13.327 16.417 ( -0.354 0.000 -0.363) 0.507 19.460 ( -0.031 0.000 0.107) 0.112 19.686 ( 0.015 -0.000 -0.092) 0.093======================= Grid point 176 (51/322) =======================q-point: ( 0.08 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.809 ( 2.409 -16.377 20.602) 26.428 0.851 ( 17.340 -21.685 13.367) 30.816 1.335 ( 12.827 -45.829 11.193) 48.889 2.611 ( 2.258 -8.845 -6.546) 11.233 2.810 ( -2.380 0.577 1.830) 3.057 2.929 ( -2.881 -2.906 3.666) 5.494 3.040 ( 2.199 -9.490 -7.303) 12.175 3.109 ( -1.167 -4.574 -0.049) 4.721 3.553 ( -1.826 -8.433 2.074) 8.874 3.649 ( -7.702 -4.044 -4.022) 9.584 3.973 ( 1.512 -3.493 5.035) 6.312 4.153 ( -0.035 -18.253 -0.257) 18.255 4.344 ( -0.204 1.204 1.063) 1.619 4.556 ( -15.988 -20.023 -9.938) 27.483 5.176 ( 3.384 -1.124 -3.663) 5.112 5.335 ( -0.234 -0.632 2.186) 2.287 5.436 ( 6.622 12.087 7.959) 15.915 5.714 ( -3.927 -10.187 -3.073) 11.342 6.652 ( -6.221 2.687 7.383) 10.021 7.614 ( -3.221 10.048 0.542) 10.566 7.863 ( -10.182 9.028 7.053) 15.327 8.054 ( 2.065 16.768 3.312) 17.217 8.797 ( 3.896 -6.401 -4.225) 8.603 9.010 ( 9.374 -6.976 -2.126) 11.877 9.595 ( -4.397 4.585 3.593) 7.298 10.034 ( -11.076 -12.210 -8.904) 18.736 10.351 ( 0.092 2.080 -1.247) 2.427 10.523 ( -0.558 10.646 -0.810) 10.692 11.069 ( -6.994 -0.399 3.799) 7.969 11.279 ( 6.598 3.611 11.984) 14.149 14.603 ( 36.748 17.741 5.393) 41.161 14.789 ( 5.833 3.926 -0.426) 7.044 16.047 ( 8.798 5.940 0.861) 10.650 16.390 ( 1.454 2.774 -0.363) 3.153 19.632 ( -0.373 -16.066 1.349) 16.127 21.030 ( -5.663 -46.173 -43.458) 63.660======================= Grid point 177 (52/322) =======================q-point: ( 0.15 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.151 ( 3.220 -13.743 15.407) 20.896 1.418 ( 16.232 -23.008 7.676) 29.185 2.257 ( 10.956 -35.223 -0.559) 36.892 2.787 ( 0.014 -4.788 -0.071) 4.789 2.845 ( -2.906 -10.176 -0.711) 10.607 3.024 ( -0.441 -7.544 2.298) 7.898 3.209 ( -1.722 -6.883 -1.083) 7.178 3.246 ( 3.025 -9.951 -8.611) 13.503 3.618 ( -4.723 -3.870 0.804) 6.159 3.745 ( -3.238 -6.387 -0.249) 7.165 4.044 ( -0.506 -3.831 5.601) 6.804 4.321 ( -0.045 0.864 0.621) 1.065 4.553 ( 1.416 -14.446 1.346) 14.577 4.825 ( -6.432 -12.472 -0.338) 14.037 5.271 ( 2.091 -10.628 -3.916) 11.518 5.345 ( -6.230 -6.267 2.154) 9.095 5.394 ( 7.331 -0.747 -0.310) 7.375 6.008 ( -5.326 -21.339 -2.946) 22.190 6.572 ( -10.751 -0.298 5.651) 12.150 7.346 ( -3.947 14.757 -0.394) 15.281 7.546 ( -2.802 20.236 0.296) 20.432 7.839 ( 4.675 7.027 5.615) 10.138 8.859 ( 8.582 4.760 -4.779) 10.915 9.132 ( -0.461 -3.542 1.410) 3.840 9.484 ( -1.888 6.923 1.145) 7.267 10.040 ( -1.820 8.037 -4.219) 9.257 10.228 ( -0.160 1.747 -0.519) 1.830 10.496 ( -0.515 -0.314 -6.828) 6.855 11.186 ( -1.501 -12.452 1.850) 12.678 11.306 ( 0.306 -4.621 9.908) 10.937 14.545 ( 12.398 4.231 2.128) 13.272 14.765 ( 7.324 2.070 -0.010) 7.611 15.979 ( 4.408 4.752 0.648) 6.514 16.338 ( 3.023 3.446 -0.160) 4.587 20.032 ( -0.706 -23.216 2.258) 23.336 21.392 ( -6.456 -9.121 -18.965) 22.012======================= Grid point 178 (53/322) =======================q-point: ( 0.23 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.391 ( 3.863 -5.612 9.687) 11.843 1.925 ( 12.280 -18.658 4.613) 22.808 2.649 ( 0.281 -4.051 -3.327) 5.250 2.865 ( -1.088 -5.968 1.521) 6.254 3.133 ( 2.607 -11.468 -0.111) 11.761 3.232 ( -2.248 -14.109 -1.665) 14.383 3.334 ( -1.029 -6.825 -4.740) 8.373 3.471 ( 7.208 -13.198 -2.518) 15.247 3.653 ( -4.269 -2.255 -1.816) 5.159 3.926 ( -0.102 -13.348 3.649) 13.838 4.133 ( 2.347 -3.058 4.734) 6.105 4.313 ( -1.184 -0.833 -0.903) 1.706 4.689 ( 0.552 -2.755 2.105) 3.511 4.868 ( -0.249 3.435 3.981) 5.264 5.349 ( -4.869 -2.056 -0.707) 5.332 5.463 ( 2.954 -4.307 -1.213) 5.362 5.839 ( -0.302 -31.426 -2.337) 31.514 6.252 ( -10.952 -4.589 2.737) 12.186 6.743 ( -11.814 -25.292 -0.715) 27.925 7.003 ( -6.843 15.562 -1.317) 17.051 7.165 ( 5.043 16.978 0.769) 17.728 7.805 ( 7.869 1.317 3.373) 8.662 8.706 ( 4.646 12.595 -2.426) 13.642 9.152 ( 1.474 3.027 -0.304) 3.381 9.291 ( -3.437 9.596 2.231) 10.435 9.798 ( -2.541 11.791 -3.277) 12.499 10.262 ( 3.018 1.472 -1.072) 3.525 10.412 ( 2.189 5.271 -3.132) 6.510 11.359 ( -1.519 -9.681 6.094) 11.540 11.653 ( -4.815 -25.391 -1.498) 25.887 14.562 ( 3.783 -0.606 -1.115) 3.990 14.801 ( 10.060 -0.350 1.924) 10.249 15.929 ( 3.382 2.390 0.443) 4.165 16.303 ( 4.121 2.079 -0.045) 4.616 20.481 ( -0.733 -21.741 1.924) 21.838 21.411 ( -3.542 0.449 -7.991) 8.753======================= Grid point 179 (54/322) =======================q-point: ( 0.31 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.416 ( 3.752 6.685 5.495) 9.432 2.286 ( 7.985 -11.545 2.308) 14.226 2.627 ( -2.746 2.873 1.498) 4.247 2.985 ( 0.972 -5.591 0.991) 5.761 3.302 ( 1.359 -6.199 -0.104) 6.347 3.406 ( -1.966 -5.470 -0.626) 5.846 3.471 ( -0.608 -9.071 -6.587) 11.226 3.678 ( -6.248 -4.164 -2.755) 7.998 3.789 ( 6.062 -12.572 0.472) 13.965 4.168 ( 3.324 1.034 1.777) 3.908 4.188 ( 4.326 -8.274 1.416) 9.444 4.353 ( -1.429 -3.680 -0.697) 4.009 4.780 ( -1.805 3.405 1.307) 4.069 4.789 ( 5.648 -5.234 5.824) 9.655 5.319 ( -6.590 1.006 -0.646) 6.698 5.570 ( 1.027 -5.374 -1.253) 5.613 6.172 ( -15.040 -1.403 1.887) 15.223 6.290 ( -3.221 -4.836 -0.726) 5.856 6.735 ( 0.121 2.784 1.366) 3.104 6.946 ( 3.965 4.728 -0.156) 6.173 7.276 ( -8.600 -26.375 -2.355) 27.842 7.874 ( 12.168 -1.704 1.940) 12.439 8.465 ( -0.037 12.101 -1.890) 12.248 8.998 ( -2.213 9.467 -0.079) 9.723 9.157 ( 0.334 5.552 3.278) 6.456 9.585 ( -1.870 7.902 -1.896) 8.339 10.133 ( 2.209 9.258 -4.603) 10.572 10.377 ( 1.376 0.900 3.123) 3.529 11.632 ( 1.133 -16.737 1.907) 16.884 12.090 ( -7.245 -21.909 -3.646) 23.362 14.599 ( 1.641 -1.744 -2.081) 3.173 14.886 ( 9.059 -1.634 2.429) 9.520 15.939 ( 3.739 -1.376 0.333) 3.997 16.303 ( 4.211 0.589 -0.253) 4.259 20.852 ( -0.436 -15.962 0.820) 15.989 21.342 ( -0.842 3.872 -2.630) 4.756======================= Grid point 180 (55/322) =======================q-point: ( 0.38 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.220 ( 3.045 14.404 4.526) 15.402 2.452 ( -0.022 -1.220 2.949) 3.192 2.579 ( 3.489 -0.021 2.029) 4.036 3.090 ( 1.303 -4.016 1.762) 4.575 3.396 ( -3.609 -3.809 0.371) 5.260 3.496 ( 2.989 -4.136 -0.729) 5.154 3.621 ( -1.237 -7.168 -3.467) 8.058 3.718 ( -5.406 -3.400 -1.442) 6.547 4.007 ( 2.790 -7.063 0.557) 7.614 4.141 ( 2.056 2.256 -0.866) 3.173 4.309 ( 3.967 -2.214 1.270) 4.717 4.401 ( -0.290 -1.543 -1.414) 2.113 4.675 ( -1.479 5.396 2.489) 6.124 4.999 ( 5.780 -8.592 1.236) 10.429 5.274 ( -4.399 -0.713 -0.164) 4.460 5.669 ( 0.306 -4.234 -0.819) 4.324 6.012 ( -14.625 6.100 0.495) 15.854 6.241 ( -0.644 3.998 -0.118) 4.051 6.768 ( 4.462 -0.518 2.800) 5.293 6.982 ( -0.193 -4.159 -1.240) 4.344 7.629 ( -4.652 -12.961 -1.114) 13.815 8.007 ( 12.606 -2.526 0.616) 12.871 8.279 ( -4.135 2.786 -1.535) 5.217 8.819 ( -3.099 7.592 1.986) 8.437 9.051 ( 0.145 5.509 2.898) 6.227 9.446 ( -0.632 6.105 -0.778) 6.186 9.990 ( 1.302 5.034 -2.905) 5.956 10.406 ( -0.023 -3.278 1.723) 3.704 11.971 ( 3.664 -14.842 -0.698) 15.304 12.387 ( -7.312 -13.248 -4.024) 15.657 14.641 ( 1.240 -1.908 -1.197) 2.571 14.956 ( 5.591 -0.589 1.448) 5.806 16.020 ( 3.990 -4.128 0.133) 5.743 16.315 ( 2.928 0.572 -0.742) 3.074 21.097 ( -0.058 -9.272 -0.150) 9.274 21.258 ( 0.438 4.050 -0.127) 4.075======================= Grid point 181 (56/322) =======================q-point: ( 0.46 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.003 ( 1.015 6.873 6.874) 9.773 2.422 ( -2.214 1.288 5.540) 6.103 2.635 ( 3.471 -1.269 0.577) 3.741 3.153 ( 0.357 -1.523 1.650) 2.274 3.422 ( -4.091 -1.567 1.504) 4.632 3.583 ( 2.702 -2.244 0.540) 3.554 3.701 ( -0.101 -1.479 -3.444) 3.750 3.763 ( -1.167 -3.867 1.287) 4.239 4.101 ( 1.706 -0.620 -0.336) 1.846 4.115 ( 0.385 0.316 0.037) 0.500 4.364 ( 2.253 -1.987 -0.551) 3.054 4.401 ( -0.541 1.159 -2.087) 2.448 4.570 ( -4.371 3.505 0.889) 5.672 5.127 ( 3.631 -1.468 0.704) 3.979 5.301 ( 0.430 -2.027 -1.733) 2.701 5.717 ( -1.115 -0.454 -0.326) 1.248 5.857 ( -4.921 2.689 -0.585) 5.638 6.177 ( 0.247 1.808 0.031) 1.825 6.800 ( 0.982 -0.419 2.295) 2.532 7.028 ( -0.124 -1.164 -0.434) 1.249 7.742 ( -0.163 -1.221 -0.899) 1.525 8.029 ( -1.580 0.654 -3.477) 3.875 8.390 ( 5.187 -9.764 3.877) 11.716 8.657 ( -3.532 7.408 3.407) 8.886 8.977 ( -0.889 1.800 3.045) 3.648 9.332 ( 0.254 4.375 -1.699) 4.700 9.944 ( 0.541 0.476 -2.282) 2.393 10.478 ( -0.140 -2.696 0.919) 2.852 12.197 ( 1.476 -5.644 -2.724) 6.438 12.524 ( -1.972 -4.790 -2.907) 5.940 14.682 ( 0.523 -1.800 0.309) 1.899 14.976 ( 1.847 0.869 0.194) 2.050 16.114 ( 2.018 -2.578 -0.306) 3.289 16.306 ( 1.003 1.094 -1.235) 1.931 21.196 ( 0.329 1.621 0.170) 1.663 21.220 ( 0.033 -2.769 -0.118) 2.772======================= Grid point 182 (57/322) =======================q-point: (-0.46 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.055 ( -3.159 -10.784 8.532) 14.109 2.433 ( -0.856 -2.373 5.879) 6.397 2.645 ( -2.368 1.014 0.870) 2.719 3.160 ( -0.069 0.925 1.752) 1.983 3.425 ( -1.673 -0.098 1.591) 2.310 3.598 ( 0.784 2.004 1.055) 2.396 3.704 ( 3.547 1.197 -1.387) 3.992 3.823 ( 1.179 -0.920 1.659) 2.233 4.074 ( -0.620 2.512 -1.252) 2.874 4.121 ( 1.731 0.146 1.080) 2.046 4.338 ( -5.214 2.782 -2.006) 6.241 4.421 ( -0.058 -3.164 -2.728) 4.178 4.500 ( -2.216 1.917 -0.443) 2.964 5.117 ( 0.983 4.358 -0.397) 4.485 5.302 ( 2.163 2.009 -1.173) 3.176 5.699 ( -0.531 1.274 -0.915) 1.656 5.840 ( 3.957 -1.271 -1.252) 4.341 6.187 ( 1.821 -1.901 0.336) 2.654 6.797 ( -1.403 0.837 2.216) 2.753 7.041 ( 0.001 -0.133 0.130) 0.186 7.726 ( -0.431 1.697 -1.661) 2.413 8.006 ( -4.026 -0.035 -3.593) 5.396 8.418 ( -2.563 9.335 4.078) 10.505 8.695 ( 5.833 -10.244 5.419) 12.974 8.990 ( -2.674 -3.786 3.435) 5.769 9.310 ( 1.421 -2.275 -2.921) 3.966 9.942 ( 0.357 -0.263 -2.275) 2.318 10.482 ( -0.236 2.393 1.047) 2.622 12.172 ( -3.702 6.495 -3.526) 8.266 12.557 ( 6.445 2.891 -1.805) 7.291 14.716 ( -0.677 -1.512 1.710) 2.381 14.945 ( -1.706 2.279 -1.090) 3.048 16.110 ( -1.953 2.776 -0.414) 3.419 16.298 ( -0.250 -0.259 -1.556) 1.598 21.185 ( -0.246 -0.439 -0.236) 0.556 21.228 ( -0.084 1.932 0.150) 1.940======================= Grid point 183 (58/322) =======================q-point: (-0.38 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.309 ( -6.989 -13.822 7.671) 17.283 2.476 ( -2.398 2.412 3.271) 4.719 2.592 ( -3.783 -0.865 2.781) 4.775 3.129 ( -0.830 2.362 2.918) 3.845 3.391 ( -2.079 3.316 0.027) 3.914 3.530 ( 2.070 5.168 0.704) 5.612 3.701 ( 5.277 1.840 0.835) 5.651 3.795 ( 1.868 4.489 -0.756) 4.920 3.987 ( -1.333 5.252 0.978) 5.506 4.134 ( -4.302 0.824 -0.245) 4.387 4.254 ( -3.137 1.523 -0.892) 3.600 4.438 ( -1.664 1.653 -4.327) 4.922 4.488 ( -0.548 -2.636 -0.446) 2.729 4.956 ( -1.282 10.504 -1.220) 10.652 5.294 ( 6.603 0.996 0.750) 6.720 5.643 ( -2.310 3.129 -1.694) 4.242 5.969 ( 14.594 -5.926 -1.036) 15.785 6.255 ( 1.540 -3.772 0.358) 4.090 6.763 ( -4.199 1.402 2.638) 5.153 7.018 ( -0.149 2.794 0.288) 2.813 7.633 ( 3.663 10.799 -0.935) 11.442 7.959 ( -10.377 0.360 -2.219) 10.617 8.258 ( 1.351 3.898 -0.711) 4.186 8.926 ( 3.895 -8.963 6.459) 11.715 9.092 ( -4.451 -7.367 3.790) 9.404 9.416 ( 2.706 -7.221 -2.655) 8.155 9.978 ( 0.056 -4.684 -3.138) 5.638 10.411 ( -0.721 3.798 1.867) 4.293 11.927 ( -3.831 14.831 -2.396) 15.504 12.449 ( 9.036 12.914 -1.687) 15.851 14.738 ( -1.762 -1.100 2.871) 3.543 14.861 ( -5.379 3.863 -2.526) 7.087 16.019 ( -3.825 3.863 0.101) 5.437 16.294 ( -2.111 -0.106 -1.566) 2.631 21.105 ( -0.067 8.903 0.133) 8.904 21.245 ( -0.014 -3.891 -0.614) 3.940======================= Grid point 184 (59/322) =======================q-point: (-0.31 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.453 ( -8.571 -3.310 6.977) 11.537 2.258 ( -8.788 14.332 1.016) 16.842 2.671 ( 1.053 -4.055 3.265) 5.311 3.061 ( -3.695 4.213 3.748) 6.741 3.267 ( -2.941 7.045 -1.640) 7.809 3.438 ( 4.369 6.536 1.170) 7.949 3.636 ( 1.284 9.428 -3.443) 10.119 3.711 ( 3.792 3.774 -0.116) 5.352 3.898 ( -0.614 2.947 6.322) 7.003 3.982 ( -11.668 8.600 -4.207) 15.093 4.170 ( -0.694 8.626 -1.708) 8.820 4.400 ( 0.385 1.849 0.527) 1.961 4.540 ( -1.414 -3.814 -1.200) 4.242 4.794 ( 3.068 4.035 0.719) 5.120 5.322 ( 7.574 1.294 -0.588) 7.706 5.556 ( -2.177 4.057 -1.722) 4.916 6.159 ( 14.196 -1.557 1.493) 14.359 6.331 ( 3.279 1.663 0.724) 3.747 6.702 ( -0.960 -0.819 0.564) 1.382 6.990 ( -3.273 -3.456 1.411) 4.965 7.296 ( 7.695 25.793 -1.632) 26.966 7.868 ( -12.233 1.361 1.419) 12.390 8.324 ( 3.649 -8.113 -5.951) 10.703 9.130 ( -0.202 -10.311 5.867) 11.865 9.207 ( -5.111 -6.373 3.412) 8.854 9.602 ( 3.331 -10.268 -1.708) 10.929 10.127 ( -0.018 -10.255 -5.229) 11.511 10.364 ( -2.016 0.060 3.163) 3.751 11.582 ( -1.211 17.648 -0.245) 17.691 12.147 ( 7.635 22.542 -1.391) 23.841 14.713 ( -5.289 5.155 1.124) 7.470 14.767 ( -5.836 -1.426 -0.976) 6.087 15.943 ( -3.858 1.288 0.529) 4.102 16.280 ( -3.265 -0.690 -1.125) 3.522 20.860 ( -0.320 16.077 1.164) 16.123 21.342 ( 2.332 -5.140 -2.729) 6.269======================= Grid point 185 (60/322) =======================q-point: (-0.23 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.357 ( -7.671 8.904 8.299) 14.387 1.848 ( -11.629 21.351 1.636) 24.368 2.709 ( -1.339 2.729 -0.487) 3.079 2.900 ( -4.362 10.837 2.037) 11.858 3.099 ( -0.972 9.051 -0.588) 9.122 3.283 ( 1.433 14.327 1.246) 14.452 3.393 ( -1.946 10.463 0.597) 10.659 3.612 ( -5.656 11.547 -7.040) 14.659 3.702 ( -0.606 5.993 -0.844) 6.083 3.902 ( 2.603 0.678 10.095) 10.447 3.991 ( 0.434 7.276 -1.949) 7.545 4.342 ( -1.048 2.951 -0.173) 3.136 4.611 ( -1.122 -2.508 0.950) 2.907 4.824 ( 6.530 -2.307 1.183) 7.026 5.296 ( 5.886 5.351 -2.782) 8.427 5.457 ( -2.416 4.676 -1.556) 5.488 5.883 ( -0.696 29.364 -0.464) 29.376 6.345 ( 5.852 -0.622 7.061) 9.192 6.723 ( 11.634 25.376 -2.158) 28.000 7.019 ( 7.294 -16.277 -0.991) 17.864 7.156 ( -5.300 -14.393 0.806) 15.359 7.799 ( -8.842 -0.876 3.190) 9.441 8.534 ( 4.628 -10.803 -7.723) 14.063 9.231 ( -5.726 -0.736 2.893) 6.458 9.394 ( -2.768 -13.529 4.852) 14.637 9.839 ( 2.478 -12.065 -2.061) 12.488 10.242 ( -1.300 -0.464 -1.691) 2.183 10.455 ( -2.306 -10.996 -2.319) 11.472 11.274 ( 2.551 13.389 3.217) 14.004 11.680 ( 4.208 27.392 -0.182) 27.714 14.563 ( -9.436 4.686 -1.187) 10.602 14.782 ( -4.673 -2.509 1.318) 5.465 15.929 ( -3.619 -1.973 0.500) 4.152 16.290 ( -3.294 -2.517 -0.535) 4.180 20.484 ( -0.463 21.962 2.018) 22.059 21.445 ( 6.106 -3.010 -6.891) 9.686======================= Grid point 186 (61/322) =======================q-point: (-0.15 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.079 ( -5.994 16.068 12.658) 21.315 1.317 ( -13.126 25.375 4.159) 28.871 2.244 ( -10.468 39.194 -0.196) 40.568 2.754 ( 2.705 5.648 -0.994) 6.341 2.902 ( -1.021 8.272 -0.405) 8.345 3.045 ( -1.926 7.328 4.128) 8.629 3.236 ( -0.272 7.017 1.324) 7.146 3.312 ( -3.328 12.878 -7.692) 15.365 3.649 ( 0.660 2.752 1.657) 3.280 3.841 ( -3.434 4.198 -2.245) 5.870 3.952 ( 5.746 2.179 8.733) 10.679 4.301 ( 0.616 0.659 -0.789) 1.198 4.528 ( -2.469 12.966 1.788) 13.319 4.896 ( 10.463 3.112 0.579) 10.931 5.187 ( 6.248 9.959 -4.088) 12.447 5.235 ( -3.225 11.680 -2.913) 12.462 5.474 ( -3.375 5.014 1.099) 6.144 6.097 ( 1.047 22.270 -0.915) 22.313 6.579 ( 5.584 -2.250 7.160) 9.355 7.369 ( 1.619 -14.385 0.670) 14.492 7.553 ( 3.301 -24.400 0.235) 24.623 7.825 ( -6.758 -5.728 5.602) 10.482 8.731 ( 4.914 -6.667 -8.636) 11.965 9.138 ( -2.043 8.163 1.475) 8.543 9.603 ( -8.513 -8.810 4.786) 13.153 10.076 ( 1.420 -10.800 -2.840) 11.257 10.250 ( -0.790 -4.471 0.294) 4.550 10.613 ( -4.171 -3.777 -8.638) 10.309 11.113 ( 6.551 7.018 8.926) 13.109 11.215 ( 1.028 17.824 2.788) 18.070 14.429 ( -12.017 2.452 -1.550) 12.362 14.809 ( -5.039 -2.803 1.190) 5.887 15.970 ( -3.940 -3.982 0.353) 5.613 16.336 ( -2.666 -3.803 -0.219) 4.649 20.032 ( -0.458 23.291 2.190) 23.398 21.469 ( 10.569 5.311 -17.035) 20.739======================= Grid point 187 (62/322) =======================q-point: (-0.08 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.730 ( -5.845 21.013 14.405) 26.139 0.773 ( -8.384 20.166 16.354) 27.284 1.286 ( -9.456 49.264 9.164) 50.993 2.609 ( 1.369 8.323 -5.865) 10.273 2.821 ( -0.284 0.277 1.199) 1.263 2.945 ( -1.583 3.352 3.750) 5.272 3.059 ( -1.705 9.729 -6.332) 11.733 3.116 ( -0.163 4.996 0.648) 5.040 3.549 ( 0.804 9.209 2.376) 9.544 3.747 ( -6.234 1.833 -4.383) 7.838 3.909 ( 5.828 5.945 6.668) 10.666 4.167 ( -1.916 16.270 -0.095) 16.383 4.327 ( 1.253 -0.818 0.221) 1.513 4.725 ( 2.733 13.791 -11.722) 18.305 5.135 ( 5.015 2.841 -0.889) 5.832 5.170 ( 11.548 -2.359 2.876) 12.133 5.457 ( -5.362 -5.074 4.538) 8.666 5.773 ( -4.751 8.285 -0.998) 9.602 6.665 ( -0.831 -2.913 8.264) 8.802 7.624 ( 1.261 -9.993 0.789) 10.104 7.960 ( -8.996 -12.477 10.490) 18.618 8.026 ( 0.991 -20.636 2.086) 20.765 8.795 ( -0.453 0.201 -8.365) 8.379 8.920 ( 5.315 14.052 -0.256) 15.026 9.671 ( -9.240 -4.306 4.222) 11.033 10.206 ( -8.577 -2.068 -9.201) 12.748 10.395 ( -7.259 -1.423 -3.725) 8.282 10.531 ( -1.981 -7.317 -0.530) 7.599 11.097 ( 3.314 -3.743 15.922) 16.688 11.127 ( 8.738 -1.666 6.409) 10.964 14.322 ( -7.300 1.872 0.083) 7.537 14.828 ( -5.495 -1.945 0.449) 5.846 16.023 ( -4.445 -3.335 0.252) 5.563 16.393 ( -1.679 -2.906 -0.241) 3.364 19.632 ( -0.280 16.051 1.321) 16.108 21.128 ( 14.297 43.238 -45.155) 64.132======================= Grid point 189 (63/322) =======================q-point: ( 0.08 0.08 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.597 ( 19.822 -0.000 14.971) 24.840 0.708 ( 11.632 -0.000 24.168) 26.822 1.059 ( 39.187 -0.000 22.509) 45.191 2.511 ( 2.766 -0.000 -7.807) 8.283 2.842 ( -2.446 0.000 1.934) 3.118 2.865 ( -6.012 0.000 4.044) 7.245 2.962 ( 6.295 -0.000 -5.686) 8.483 3.047 ( -2.919 0.000 0.158) 2.923 3.408 ( -2.321 0.000 2.596) 3.482 3.560 ( -9.653 0.000 -4.191) 10.524 3.829 ( 1.873 -0.000 -0.807) 2.039 3.962 ( -0.541 0.000 3.866) 3.904 4.189 ( -15.507 0.000 3.995) 16.014 4.382 ( 4.315 -0.000 1.033) 4.437 5.172 ( -1.117 0.000 -4.033) 4.185 5.310 ( -7.280 0.000 5.395) 9.061 5.588 ( -2.445 0.000 -0.498) 2.495 5.696 ( -0.348 0.000 -2.364) 2.389 6.651 ( -8.673 0.000 7.664) 11.574 7.691 ( -5.798 0.000 0.084) 5.799 7.909 ( -14.512 0.000 10.852) 18.121 8.263 ( 0.794 -0.000 1.803) 1.970 8.666 ( 4.186 -0.000 0.063) 4.187 9.045 ( 17.597 -0.000 -11.573) 21.061 9.668 ( -5.505 0.000 4.588) 7.166 9.725 ( 0.801 -0.000 1.017) 1.294 10.380 ( 2.809 -0.000 -1.755) 3.312 10.693 ( -0.523 0.000 -0.898) 1.039 10.992 ( -21.522 0.000 3.295) 21.773 11.379 ( 2.887 -0.000 7.795) 8.312 14.737 ( -4.175 0.000 -4.619) 6.226 15.523 ( 26.326 -0.000 -13.522) 29.596 16.431 ( 3.183 -0.000 -0.629) 3.245 16.705 ( 87.092 -0.000 -47.392) 99.152 19.460 ( -0.060 0.000 0.107) 0.123 19.685 ( -0.023 0.000 -0.095) 0.098======================= Grid point 190 (64/322) =======================q-point: ( 0.15 0.08 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.933 ( 7.123 -12.663 21.025) 25.557 1.113 ( 19.382 -22.877 9.848) 31.560 1.648 ( 33.504 -31.348 8.832) 46.725 2.619 ( 2.716 -9.018 -6.876) 11.661 2.769 ( -6.446 1.273 3.332) 7.367 2.905 ( -3.181 -4.727 4.001) 6.962 3.076 ( 8.940 -7.531 -8.207) 14.282 3.085 ( -3.029 -4.791 -0.905) 5.740 3.501 ( -7.160 -4.107 -0.369) 8.262 3.572 ( -4.156 -9.991 0.165) 10.822 3.979 ( -2.151 -2.536 4.180) 5.342 4.161 ( 0.779 -20.444 -0.808) 20.475 4.270 ( -9.037 -9.899 -1.073) 13.446 4.469 ( 1.660 -10.929 -0.576) 11.069 5.157 ( -5.262 -2.026 -5.194) 7.666 5.274 ( -7.580 -0.170 6.155) 9.766 5.512 ( -0.356 6.937 1.221) 7.053 5.687 ( 1.405 -6.623 -2.890) 7.362 6.572 ( -10.733 3.452 7.089) 13.318 7.556 ( -6.839 9.242 -0.125) 11.498 7.794 ( -4.776 7.490 5.089) 10.238 8.094 ( 3.008 13.846 3.157) 14.516 8.845 ( 5.669 -9.648 -2.277) 11.420 9.089 ( 5.179 0.242 -3.356) 6.177 9.604 ( 4.057 4.750 0.457) 6.264 9.929 ( -3.926 -12.862 -3.967) 14.020 10.361 ( 1.429 5.519 -0.523) 5.725 10.509 ( -1.080 8.350 -1.561) 8.563 10.986 ( -8.015 -6.742 1.562) 10.589 11.365 ( 2.832 3.880 9.150) 10.334 14.685 ( -1.051 2.810 -4.718) 5.592 15.194 ( 34.525 31.444 0.741) 46.704 16.247 ( 25.333 24.293 -2.018) 35.157 16.426 ( 5.107 3.112 -0.386) 5.993 19.631 ( -0.453 -16.062 1.319) 16.122 20.781 ( -14.789 -49.217 -31.107) 60.072======================= Grid point 191 (65/322) =======================q-point: ( 0.23 0.08 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.256 ( 6.507 -12.152 14.755) 20.192 1.650 ( 18.493 -19.447 6.679) 27.654 2.417 ( 15.961 -24.258 -3.872) 29.295 2.750 ( -6.872 -3.353 3.712) 8.500 2.840 ( 3.453 -13.798 -4.204) 14.831 3.034 ( 0.256 -8.426 3.441) 9.105 3.182 ( -2.626 -6.963 -1.271) 7.549 3.289 ( 9.669 -9.692 -7.030) 15.390 3.564 ( -4.178 -5.632 0.973) 7.080 3.710 ( -2.923 -7.232 1.205) 7.893 4.055 ( -0.323 -5.084 4.570) 6.844 4.311 ( -1.914 0.099 0.228) 1.930 4.558 ( -0.485 -13.724 0.795) 13.756 4.785 ( -2.280 -15.498 2.688) 15.894 5.263 ( -1.126 -14.521 -5.003) 15.400 5.271 ( -6.578 -5.837 1.397) 8.905 5.433 ( -0.858 0.659 -1.343) 1.725 5.942 ( -4.594 -20.057 -2.434) 20.720 6.432 ( -15.393 2.554 5.995) 16.715 7.270 ( -8.346 14.955 -1.314) 17.176 7.542 ( 1.908 16.837 1.347) 16.999 7.915 ( 5.070 6.220 5.050) 9.482 8.932 ( 5.715 6.567 -4.694) 9.890 9.136 ( 0.708 -4.853 1.519) 5.134 9.483 ( 1.231 9.804 -0.395) 9.889 10.005 ( -2.235 8.130 -3.228) 9.029 10.236 ( 1.963 -2.463 -0.094) 3.151 10.481 ( 0.896 0.623 -4.886) 5.006 11.165 ( -2.656 -14.788 0.557) 15.035 11.319 ( -3.117 -0.064 8.638) 9.183 14.617 ( 3.121 3.371 -2.776) 5.367 14.966 ( 21.562 10.645 2.813) 24.210 16.055 ( 8.441 8.455 0.451) 11.956 16.388 ( 5.589 3.628 -0.190) 6.666 20.031 ( -0.782 -23.175 2.180) 23.291 21.232 ( -10.752 -15.204 -16.178) 24.668======================= Grid point 192 (66/322) =======================q-point: ( 0.31 0.08 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.482 ( 6.649 -4.097 9.043) 11.949 2.093 ( 13.893 -14.973 4.073) 20.828 2.628 ( -2.684 -1.239 -1.296) 3.227 2.859 ( -0.681 -7.567 0.444) 7.610 3.147 ( 1.129 -11.599 -4.800) 12.604 3.226 ( 1.148 -9.961 1.656) 10.163 3.317 ( 0.272 -7.694 -3.818) 8.594 3.541 ( 1.376 -8.546 -2.967) 9.151 3.624 ( 4.767 -5.570 0.284) 7.337 3.960 ( 4.514 -16.157 4.071) 17.263 4.173 ( 2.251 -4.930 3.981) 6.725 4.286 ( -2.785 0.135 -1.130) 3.009 4.681 ( -2.337 -3.344 1.228) 4.260 4.886 ( -0.428 1.617 4.129) 4.455 5.292 ( -4.073 -1.311 -0.286) 4.288 5.457 ( -3.110 -4.503 -2.373) 5.965 5.831 ( 0.271 -32.425 -2.439) 32.517 6.127 ( -11.912 1.345 3.601) 12.517 6.581 ( -14.870 -29.723 -1.340) 33.262 6.913 ( -7.472 14.481 -1.426) 16.357 7.244 ( 7.845 15.321 1.569) 17.284 7.910 ( 7.781 -0.550 3.585) 8.585 8.724 ( -0.405 13.707 -3.534) 14.161 9.189 ( 5.315 4.685 -1.487) 7.239 9.266 ( -2.137 8.884 3.472) 9.774 9.756 ( -2.851 11.493 -2.683) 12.141 10.294 ( 3.000 4.341 -1.679) 5.537 10.436 ( 3.054 2.323 -1.644) 4.174 11.346 ( -3.722 -10.495 5.361) 12.358 11.586 ( -5.603 -23.538 -1.622) 24.250 14.597 ( 3.785 0.472 -1.987) 4.301 14.958 ( 14.345 2.536 2.254) 14.740 15.980 ( 5.136 3.340 0.479) 6.145 16.359 ( 5.440 2.444 -0.206) 5.967 20.479 ( -0.726 -21.733 1.805) 21.820 21.336 ( -5.000 -3.505 -7.076) 9.346======================= Grid point 193 (67/322) =======================q-point: ( 0.38 0.08 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.493 ( 6.477 8.115 5.466) 11.734 2.389 ( 7.619 -7.537 2.353) 10.972 2.607 ( -1.233 0.736 2.377) 2.777 2.996 ( -0.066 -6.366 1.701) 6.590 3.290 ( -2.078 -5.259 -2.020) 6.005 3.407 ( 1.740 -6.945 0.898) 7.216 3.470 ( 3.052 -7.700 -5.007) 9.679 3.594 ( -6.427 -4.553 -2.789) 8.356 3.863 ( 6.069 -9.718 1.568) 11.564 4.195 ( 0.675 1.842 0.066) 1.963 4.260 ( 6.510 -6.947 0.997) 9.573 4.336 ( -0.503 -4.610 0.440) 4.659 4.727 ( -6.041 -0.252 -1.549) 6.242 4.872 ( 3.215 -4.310 5.970) 8.034 5.270 ( -0.933 1.229 0.069) 1.545 5.545 ( -4.329 -6.581 -2.446) 8.248 5.977 ( -17.961 2.516 2.045) 18.252 6.276 ( 0.246 -6.519 -0.643) 6.556 6.731 ( -1.149 -3.653 0.226) 3.837 6.994 ( 2.210 0.550 1.340) 2.642 7.190 ( -3.051 -20.833 -1.773) 21.130 8.015 ( 10.380 -3.748 2.344) 11.282 8.426 ( -4.913 13.460 -4.222) 14.938 8.996 ( 1.430 11.218 2.193) 11.519 9.172 ( 0.465 5.582 2.251) 6.037 9.560 ( -1.435 6.929 -1.203) 7.178 10.143 ( 1.979 9.271 -4.659) 10.563 10.398 ( 0.348 2.345 3.405) 4.149 11.648 ( 0.768 -18.732 0.866) 18.768 11.991 ( -7.716 -21.070 -2.887) 22.624 14.624 ( 3.651 -0.980 -1.502) 4.068 15.004 ( 9.637 0.879 1.722) 9.829 15.990 ( 4.894 -1.273 0.428) 5.075 16.352 ( 4.178 1.364 -0.563) 4.430 20.850 ( -0.342 -16.007 0.741) 16.028 21.322 ( -1.175 1.787 -2.341) 3.171======================= Grid point 194 (68/322) =======================q-point: ( 0.46 0.08 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.287 ( 5.585 15.752 5.409) 17.566 2.450 ( -2.076 1.526 4.342) 5.048 2.644 ( 5.998 -1.434 1.385) 6.321 3.103 ( -0.424 -4.076 2.371) 4.735 3.352 ( -2.627 -3.287 -0.751) 4.274 3.531 ( 2.438 -4.584 0.529) 5.218 3.623 ( 3.478 -6.283 -3.284) 7.897 3.660 ( -4.176 -5.272 -0.527) 6.746 4.045 ( 2.937 -5.829 1.976) 6.820 4.143 ( -1.017 2.322 -1.448) 2.919 4.359 ( 3.702 -0.623 0.769) 3.831 4.394 ( -0.257 -1.945 -1.394) 2.406 4.610 ( -8.691 4.726 -0.650) 9.914 5.069 ( 4.217 -7.855 1.272) 9.006 5.268 ( 3.141 -0.930 0.516) 3.316 5.638 ( -4.672 -5.440 -1.794) 7.391 5.837 ( -14.897 1.263 0.229) 14.952 6.245 ( 1.101 4.337 0.251) 4.482 6.844 ( 5.923 -0.607 2.496) 6.456 6.986 ( 2.157 -1.696 -0.335) 2.765 7.577 ( -3.456 -16.070 -0.914) 16.463 8.091 ( -0.993 6.814 -4.150) 8.040 8.255 ( 3.303 -5.630 1.993) 6.825 8.812 ( 0.336 9.096 3.739) 9.840 9.055 ( -0.838 5.752 2.278) 6.243 9.437 ( -0.622 5.755 -0.581) 5.817 9.994 ( 1.103 5.366 -3.113) 6.301 10.407 ( -0.900 -3.110 1.838) 3.723 12.003 ( 2.392 -14.697 -1.945) 15.017 12.296 ( -6.123 -14.979 -2.709) 16.407 14.664 ( 3.129 -1.126 -0.468) 3.358 15.024 ( 5.307 1.806 0.814) 5.665 16.071 ( 4.640 -3.358 0.123) 5.729 16.341 ( 1.790 1.675 -1.068) 2.674 21.097 ( 0.038 -9.318 -0.155) 9.319 21.262 ( 0.320 3.515 -0.142) 3.532======================= Grid point 195 (69/322) =======================q-point: ( 0.54 0.08 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.050 ( 2.819 9.295 7.548) 12.301 2.413 ( -2.321 0.578 5.672) 6.156 2.671 ( 1.862 1.500 0.824) 2.529 3.154 ( -1.497 -1.389 2.161) 2.974 3.400 ( 0.576 -2.295 0.011) 2.366 3.609 ( 1.292 -1.653 1.535) 2.600 3.711 ( 1.691 -2.169 -1.695) 3.231 3.766 ( 2.045 -5.405 0.521) 5.802 4.094 ( -2.540 1.520 -1.260) 3.217 4.134 ( 1.883 -1.634 2.024) 3.212 4.353 ( -4.612 2.244 -2.136) 5.556 4.396 ( 1.237 0.395 -2.133) 2.497 4.506 ( -4.241 1.043 0.169) 4.370 5.159 ( 0.263 -0.429 -0.176) 0.533 5.328 ( 5.010 -1.259 -0.791) 5.226 5.680 ( -4.419 -1.880 -0.646) 4.846 5.791 ( -5.658 -2.853 -0.957) 6.409 6.192 ( 1.909 1.432 0.338) 2.410 6.855 ( 6.694 2.659 2.582) 7.651 7.025 ( -0.136 -1.164 -0.252) 1.198 7.737 ( -0.287 -0.965 -1.077) 1.475 7.952 ( -7.912 -0.402 -4.502) 9.112 8.491 ( 8.158 -9.948 5.194) 13.875 8.637 ( -1.957 8.356 3.706) 9.348 8.968 ( -1.975 2.259 2.614) 3.979 9.330 ( 0.273 3.864 -1.787) 4.266 9.943 ( 0.574 0.591 -2.359) 2.498 10.476 ( -0.766 -2.849 0.933) 3.094 12.180 ( -2.067 -3.324 -3.538) 5.276 12.516 ( 1.540 -9.028 -2.053) 9.386 14.698 ( 1.872 -0.804 0.695) 2.153 14.998 ( 1.865 3.020 -0.061) 3.550 16.137 ( 2.335 -0.261 -0.429) 2.388 16.306 ( -0.479 1.565 -1.329) 2.108 21.200 ( 0.217 1.758 0.068) 1.773 21.221 ( 0.098 -2.570 -0.054) 2.572======================= Grid point 196 (70/322) =======================q-point: (-0.38 0.08 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.051 ( -2.327 -7.610 8.066) 11.331 2.440 ( -0.946 -3.394 5.615) 6.629 2.615 ( -3.067 3.789 0.738) 4.930 3.153 ( -2.494 0.594 2.764) 3.770 3.432 ( 2.474 0.602 -0.375) 2.573 3.607 ( 0.237 2.095 1.379) 2.519 3.752 ( 4.777 -0.324 0.124) 4.790 3.851 ( 3.142 -0.725 -0.030) 3.224 4.042 ( -4.015 2.050 -1.563) 4.772 4.141 ( -1.778 1.477 1.926) 3.009 4.255 ( -4.821 2.011 -1.753) 5.510 4.407 ( 0.015 -0.953 -3.370) 3.502 4.488 ( -0.188 0.334 0.504) 0.633 5.101 ( -2.737 5.383 -1.659) 6.263 5.357 ( 6.689 1.065 0.272) 6.778 5.662 ( -4.494 1.073 -1.098) 4.749 5.882 ( 3.281 -7.596 -0.776) 8.310 6.213 ( 2.181 -1.910 0.242) 2.909 6.826 ( 4.941 4.449 2.611) 7.143 7.037 ( -0.667 -0.441 0.012) 0.800 7.694 ( -4.619 0.824 -2.249) 5.203 7.948 ( -2.792 0.155 -2.222) 3.572 8.413 ( -0.563 10.234 2.648) 10.586 8.776 ( 4.560 -10.641 5.927) 13.006 8.963 ( -3.513 -3.021 2.784) 5.405 9.319 ( 1.661 -2.849 -2.720) 4.274 9.940 ( 0.500 -0.101 -2.247) 2.304 10.479 ( -0.831 2.297 0.954) 2.623 12.117 ( -3.561 6.915 -3.075) 8.364 12.625 ( 5.907 0.587 -2.402) 6.404 14.718 ( 0.057 -0.491 1.303) 1.394 14.927 ( -0.768 4.504 -0.712) 4.624 16.088 ( -1.579 4.650 -0.464) 4.933 16.286 ( -0.954 0.261 -1.341) 1.666 21.182 ( -0.105 -0.300 -0.151) 0.352 21.227 ( -0.138 2.088 0.111) 2.096======================= Grid point 197 (71/322) =======================q-point: (-0.31 0.08 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.257 ( -5.746 -11.939 6.664) 14.831 2.449 ( -2.979 8.059 1.448) 8.713 2.572 ( -1.840 -5.477 3.784) 6.907 3.110 ( -3.731 2.472 3.322) 5.573 3.376 ( -0.315 5.502 -1.001) 5.602 3.559 ( 2.249 3.541 0.174) 4.199 3.774 ( 6.294 2.923 0.396) 6.951 3.816 ( 2.615 4.540 -2.174) 5.673 3.962 ( -3.205 2.988 1.002) 4.495 4.034 ( -9.884 5.557 -2.025) 11.518 4.250 ( 0.890 0.062 0.991) 1.334 4.414 ( 0.040 -0.333 -2.663) 2.684 4.489 ( 0.125 -0.693 1.097) 1.303 4.939 ( -0.916 8.515 -0.741) 8.597 5.381 ( 7.352 0.700 0.608) 7.410 5.598 ( -4.255 2.403 -1.209) 5.034 6.114 ( 10.052 -11.612 -0.770) 15.378 6.276 ( 1.808 -3.043 0.157) 3.543 6.747 ( -0.033 5.133 3.361) 6.136 7.014 ( -0.510 3.131 -0.311) 3.188 7.651 ( -1.032 3.756 -1.184) 4.071 7.851 ( -5.732 6.669 -1.356) 8.897 8.278 ( 2.276 2.546 -0.991) 3.555 8.979 ( 1.828 -7.413 5.742) 9.553 9.047 ( -5.034 -6.920 2.761) 8.992 9.439 ( 2.477 -7.866 -2.244) 8.546 9.971 ( 0.447 -4.239 -2.942) 5.179 10.404 ( -1.256 3.886 1.641) 4.401 11.886 ( -2.088 13.957 -1.576) 14.200 12.532 ( 6.094 12.296 -2.734) 13.993 14.723 ( -2.092 -0.465 0.479) 2.196 14.811 ( -2.186 6.328 -0.214) 6.699 15.979 ( -2.876 4.304 0.110) 5.178 16.266 ( -1.654 0.663 -1.150) 2.121 21.104 ( -0.109 8.918 0.091) 8.919 21.244 ( 0.141 -4.368 -0.520) 4.401======================= Grid point 198 (72/322) =======================q-point: (-0.23 0.08 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.392 ( -5.686 -3.002 6.597) 9.212 2.182 ( -4.677 16.572 1.434) 17.279 2.683 ( -0.459 -4.273 2.065) 4.768 3.020 ( -4.464 4.974 2.694) 7.206 3.244 ( -0.521 6.946 -0.700) 7.000 3.483 ( 2.288 5.830 0.636) 6.295 3.629 ( 0.707 11.451 -5.484) 12.716 3.746 ( 0.004 6.880 -1.764) 7.102 3.822 ( -8.570 8.178 -4.625) 12.717 3.943 ( 2.941 -0.260 7.609) 8.161 4.163 ( -0.176 8.719 -1.224) 8.806 4.396 ( -1.029 2.502 0.320) 2.724 4.543 ( 1.587 -3.823 2.487) 4.829 4.829 ( 2.107 1.690 0.801) 2.817 5.400 ( 6.117 2.139 -0.773) 6.526 5.518 ( -3.226 3.347 -1.045) 4.765 6.267 ( 3.723 6.677 0.190) 7.647 6.403 ( 7.342 -3.549 1.784) 8.347 6.696 ( -0.567 -5.921 1.654) 6.174 6.952 ( -3.133 -1.426 0.010) 3.443 7.380 ( 7.051 25.054 -2.261) 26.125 7.739 ( -9.863 -0.477 1.062) 9.932 8.356 ( 4.553 -8.006 -3.879) 9.993 9.126 ( -3.357 -6.387 4.085) 8.292 9.168 ( -3.079 -8.675 3.249) 9.762 9.627 ( 1.783 -10.231 -2.050) 10.585 10.115 ( 0.739 -9.844 -4.885) 11.014 10.349 ( -1.894 0.680 2.747) 3.405 11.576 ( 0.079 15.966 0.881) 15.990 12.209 ( 3.921 22.901 -2.383) 23.356 14.645 ( -4.446 6.636 -2.169) 8.277 14.735 ( -1.415 -0.206 2.425) 2.815 15.907 ( -2.409 1.337 0.431) 2.789 16.248 ( -1.653 -0.248 -0.649) 1.793 20.859 ( -0.418 16.014 1.124) 16.059 21.357 ( 1.705 -6.317 -2.910) 7.161======================= Grid point 199 (73/322) =======================q-point: (-0.15 0.08 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.320 ( -3.419 8.395 9.174) 12.897 1.766 ( -3.212 23.457 3.207) 23.893 2.675 ( -2.378 7.708 -2.551) 8.460 2.881 ( -1.002 6.692 2.112) 7.088 3.091 ( -0.076 9.448 0.556) 9.465 3.296 ( -0.176 19.409 1.163) 19.444 3.372 ( -1.783 7.176 1.188) 7.489 3.505 ( -5.960 10.313 -11.785) 16.756 3.707 ( 0.437 3.480 -0.444) 3.535 3.936 ( -1.303 6.859 5.531) 8.907 4.023 ( 4.432 2.071 3.482) 6.005 4.330 ( -0.689 2.601 -0.568) 2.750 4.616 ( 1.182 -1.044 2.833) 3.242 4.884 ( 2.195 -4.396 1.139) 5.044 5.347 ( 4.951 5.999 -2.070) 8.049 5.427 ( -1.980 4.578 -0.774) 5.047 5.870 ( -1.156 29.970 -1.086) 30.012 6.392 ( -1.192 5.355 4.871) 7.336 6.824 ( 6.025 20.614 -1.309) 21.516 7.083 ( 2.256 -13.148 -0.251) 13.342 7.114 ( -0.932 -18.485 -0.328) 18.512 7.725 ( -4.720 -2.267 3.033) 6.051 8.578 ( 6.465 -10.818 -5.466) 13.737 9.182 ( -4.071 -1.279 2.509) 4.950 9.367 ( -3.989 -11.645 3.392) 12.768 9.848 ( 0.426 -11.931 -2.857) 12.276 10.229 ( 0.017 -0.029 -1.146) 1.147 10.423 ( -1.279 -9.741 -3.642) 10.478 11.313 ( 1.913 10.984 4.889) 12.174 11.710 ( 1.118 27.865 -0.563) 27.893 14.491 ( -2.093 6.410 -0.033) 6.743 14.744 ( -2.553 -1.465 0.709) 3.027 15.901 ( -1.418 -1.677 0.463) 2.244 16.264 ( -0.943 -2.255 -0.219) 2.454 20.484 ( -0.585 21.871 2.044) 21.974 21.475 ( 2.918 -4.361 -7.910) 9.492======================= Grid point 200 (74/322) =======================q-point: (-0.08 0.08 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.087 ( -0.475 15.112 14.792) 21.152 1.271 ( 3.184 26.773 6.839) 27.815 2.188 ( 0.673 39.565 0.292) 39.572 2.776 ( 1.910 6.634 -1.627) 7.092 2.881 ( -2.605 7.749 0.324) 8.181 3.032 ( -2.024 7.290 2.895) 8.101 3.228 ( -1.383 6.802 0.738) 6.981 3.261 ( -0.573 11.204 -9.346) 14.601 3.652 ( -1.418 2.599 1.395) 3.273 3.790 ( -3.983 5.650 -1.784) 7.139 4.021 ( 1.727 2.559 7.145) 7.783 4.312 ( 1.138 -0.664 0.151) 1.326 4.527 ( 1.122 14.256 2.205) 14.469 4.919 ( -5.873 6.032 -3.234) 9.019 5.242 ( 4.751 11.725 -3.718) 13.186 5.269 ( 9.796 4.133 1.072) 10.686 5.422 ( -6.056 6.362 1.795) 8.965 6.073 ( -3.789 21.670 -2.338) 22.122 6.628 ( -1.559 0.559 5.836) 6.067 7.372 ( -1.069 -14.865 0.397) 14.909 7.576 ( -0.604 -23.922 -0.405) 23.933 7.792 ( -0.970 -5.892 6.199) 8.607 8.779 ( 7.502 -5.022 -6.280) 10.997 9.131 ( -0.243 5.383 1.236) 5.529 9.525 ( -6.448 -6.445 3.441) 9.745 10.069 ( -0.685 -9.692 -3.972) 10.496 10.238 ( -1.110 -4.363 -0.362) 4.517 10.540 ( -2.961 -0.468 -8.945) 9.434 11.183 ( 1.013 7.513 4.527) 8.830 11.254 ( 2.849 12.995 8.765) 15.932 14.398 ( 6.451 3.324 2.809) 7.781 14.761 ( -2.994 -1.897 -0.715) 3.616 15.950 ( 0.231 -3.368 0.597) 3.429 16.320 ( 0.083 -3.578 -0.158) 3.582 20.033 ( -0.589 23.258 2.260) 23.375 21.483 ( 1.631 4.947 -19.450) 20.136======================= Grid point 203 (75/322) =======================q-point: ( 0.15 0.15 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.900 ( 9.649 -0.000 24.482) 26.315 0.903 ( 24.760 -0.000 10.795) 27.011 1.631 ( 46.973 -0.000 10.169) 48.061 2.523 ( 3.568 -0.000 -8.119) 8.869 2.765 ( -13.087 0.000 6.367) 14.553 2.819 ( -2.602 0.000 2.174) 3.391 2.995 ( -5.887 0.000 -0.756) 5.936 3.069 ( 15.413 -0.000 -6.548) 16.746 3.384 ( -3.421 0.000 3.324) 4.770 3.448 ( -7.517 0.000 -1.758) 7.720 3.851 ( 2.373 -0.000 -0.849) 2.521 3.940 ( -3.972 0.000 3.086) 5.030 4.121 ( -1.028 0.000 1.282) 1.643 4.432 ( 2.988 -0.000 1.484) 3.336 5.077 ( -11.452 0.000 -5.573) 12.736 5.243 ( -6.662 0.000 7.433) 9.981 5.544 ( -6.993 0.000 2.438) 7.406 5.684 ( 0.648 -0.000 -5.036) 5.077 6.562 ( -9.909 0.000 7.210) 12.255 7.604 ( -8.633 0.000 0.063) 8.633 7.847 ( -3.805 0.000 7.026) 7.990 8.283 ( 1.518 -0.000 1.565) 2.180 8.729 ( 6.172 -0.000 0.108) 6.173 9.136 ( 5.523 -0.000 -9.808) 11.256 9.706 ( 7.440 -0.000 1.474) 7.584 9.739 ( 0.975 -0.000 1.005) 1.400 10.416 ( 4.121 -0.000 -1.387) 4.348 10.682 ( -0.762 0.000 -0.913) 1.189 10.785 ( -16.027 0.000 1.639) 16.111 11.440 ( 2.013 -0.000 7.094) 7.374 14.695 ( 0.312 -0.000 -5.607) 5.616 15.631 ( 4.259 -0.000 -4.152) 5.948 16.486 ( 6.656 -0.000 -0.544) 6.678 17.300 ( 42.602 -0.000 -48.117) 64.267 19.460 ( -0.082 0.000 0.108) 0.136 19.684 ( -0.050 0.000 -0.096) 0.108======================= Grid point 204 (76/322) =======================q-point: ( 0.23 0.15 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.096 ( 9.855 -9.984 19.357) 23.906 1.364 ( 19.700 -22.324 7.794) 30.777 2.092 ( 36.973 -18.296 1.772) 41.290 2.619 ( -1.736 -6.810 -3.672) 7.929 2.692 ( -5.698 -2.022 1.308) 6.186 2.882 ( -2.875 -6.541 3.705) 8.049 3.026 ( -6.254 -6.019 -1.685) 8.842 3.209 ( 17.536 -4.989 -5.034) 18.914 3.428 ( -4.451 -4.260 1.101) 6.259 3.531 ( -3.843 -10.951 1.980) 11.773 3.965 ( -2.004 -4.127 3.431) 5.729 4.143 ( -2.471 -20.577 -1.721) 20.796 4.218 ( -0.779 -10.547 1.182) 10.641 4.494 ( 1.260 -7.252 0.672) 7.392 5.028 ( -12.631 -4.159 -6.519) 14.810 5.220 ( -5.221 -0.325 6.186) 8.101 5.460 ( -7.385 3.345 -0.096) 8.108 5.693 ( -0.801 -3.653 -3.027) 4.811 6.467 ( -10.264 4.970 7.267) 13.523 7.459 ( -9.319 9.215 -0.491) 13.115 7.780 ( -0.651 6.523 4.451) 7.924 8.137 ( 2.631 12.143 2.684) 12.712 8.907 ( 5.805 -10.451 -1.487) 12.047 9.112 ( 1.101 2.753 -3.937) 4.929 9.665 ( 5.738 6.288 -1.052) 8.577 9.908 ( 1.254 -10.929 -0.438) 11.009 10.366 ( -1.064 10.364 0.120) 10.419 10.498 ( 0.637 3.092 -1.909) 3.690 10.903 ( -6.587 -10.397 0.095) 12.309 11.400 ( -1.498 5.082 7.003) 8.781 14.680 ( 3.214 1.763 -4.645) 5.918 15.451 ( 12.557 19.108 -1.372) 22.906 16.486 ( 9.460 7.007 -1.113) 11.824 16.578 ( 26.659 38.733 -6.429) 47.458 19.630 ( -0.500 -16.040 1.232) 16.095 20.528 ( -14.449 -47.322 -19.496) 53.181======================= Grid point 205 (77/322) =======================q-point: ( 0.31 0.15 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.391 ( 9.148 -10.428 13.182) 19.136 1.876 ( 17.133 -17.566 5.428) 25.131 2.537 ( 3.457 -7.691 -4.025) 9.343 2.688 ( -3.114 -8.331 1.077) 8.959 2.891 ( 8.045 -13.925 -5.804) 17.097 3.045 ( -0.154 -9.946 3.300) 10.480 3.135 ( -4.464 -8.712 -1.414) 9.891 3.420 ( 11.280 -6.699 -2.674) 13.389 3.558 ( 5.500 -6.406 2.075) 8.694 3.697 ( 0.879 -11.241 3.317) 11.753 4.063 ( -0.654 -5.858 3.494) 6.852 4.285 ( -2.243 -0.703 0.219) 2.360 4.562 ( 0.384 -12.269 2.158) 12.463 4.753 ( -5.321 -14.988 1.672) 15.992 5.186 ( -6.389 -19.546 -5.478) 21.281 5.234 ( -3.572 -7.293 0.440) 8.133 5.380 ( -5.878 -0.139 -1.478) 6.062 5.872 ( -7.471 -19.233 -2.348) 20.767 6.281 ( -12.956 7.600 6.872) 16.518 7.159 ( -9.508 14.700 -1.514) 17.572 7.592 ( 5.633 14.138 2.046) 15.356 7.980 ( 3.193 4.661 4.494) 7.219 8.948 ( -0.051 9.357 -5.792) 11.005 9.163 ( 2.882 -7.053 1.361) 7.740 9.512 ( 4.092 11.867 -0.027) 12.552 9.966 ( -3.084 9.764 -2.017) 10.436 10.272 ( 3.983 -6.621 0.452) 7.740 10.481 ( 1.292 2.011 -3.478) 4.220 11.132 ( -2.990 -16.208 -0.294) 16.484 11.288 ( -6.356 2.675 6.605) 9.548 14.653 ( 5.232 2.548 -2.636) 6.388 15.199 ( 16.245 12.974 1.172) 20.823 16.173 ( 11.329 14.030 -0.136) 18.034 16.463 ( 7.193 4.405 -0.320) 8.441 20.028 ( -0.801 -23.147 2.040) 23.251 21.057 ( -11.079 -20.555 -12.509) 26.491======================= Grid point 206 (78/322) =======================q-point: ( 0.38 0.15 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.600 ( 8.939 -2.719 8.173) 12.413 2.261 ( 12.476 -11.901 3.418) 17.578 2.581 ( -5.268 -1.975 1.619) 5.855 2.848 ( -1.454 -8.129 0.005) 8.258 3.148 ( 2.455 -8.743 -5.125) 10.427 3.247 ( 0.730 -10.018 1.550) 10.163 3.313 ( 1.094 -9.923 -3.088) 10.450 3.498 ( -3.918 -1.337 -3.213) 5.241 3.737 ( 10.063 -7.730 1.568) 12.786 4.064 ( 10.574 -15.516 3.805) 19.159 4.206 ( -0.355 -8.378 2.687) 8.806 4.255 ( 0.734 1.672 -0.016) 1.826 4.644 ( -4.730 -1.957 0.105) 5.120 4.868 ( -4.106 -0.657 3.109) 5.192 5.256 ( -2.668 -2.655 -1.226) 3.959 5.381 ( -7.872 -5.275 -2.414) 9.779 5.832 ( 1.204 -33.387 -2.029) 33.470 6.007 ( -10.713 8.327 4.735) 14.371 6.405 ( -14.087 -34.194 -1.873) 37.029 6.828 ( -6.221 12.258 -1.053) 13.787 7.353 ( 9.696 13.928 2.215) 17.114 7.998 ( 5.191 -2.587 3.543) 6.796 8.676 ( -4.744 14.910 -5.836) 16.699 9.249 ( 2.514 0.702 0.901) 2.761 9.276 ( 4.431 14.190 2.595) 15.091 9.717 ( -2.644 10.661 -1.906) 11.148 10.318 ( 2.258 6.973 -2.266) 7.671 10.467 ( 2.601 1.019 -0.185) 2.800 11.308 ( -5.256 -12.492 3.897) 14.102 11.519 ( -4.864 -21.786 -1.381) 22.365 14.647 ( 5.730 0.924 -1.272) 5.942 15.121 ( 12.149 4.929 1.231) 13.169 16.049 ( 6.299 4.654 0.469) 7.846 16.422 ( 5.382 3.292 -0.532) 6.331 20.476 ( -0.664 -21.772 1.680) 21.847 21.257 ( -4.890 -7.397 -5.868) 10.633======================= Grid point 207 (79/322) =======================q-point: ( 0.46 0.15 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.597 ( 8.195 9.327 5.835) 13.719 2.451 ( 0.851 -2.089 3.235) 3.944 2.629 ( 3.785 -3.875 2.659) 6.034 2.990 ( -1.989 -7.024 2.445) 7.699 3.274 ( 1.508 -4.231 -2.423) 5.103 3.433 ( 1.764 -7.260 0.714) 7.506 3.494 ( 0.928 -7.785 -2.746) 8.307 3.523 ( -2.019 -5.477 -3.057) 6.589 3.939 ( 5.518 -7.260 2.871) 9.560 4.179 ( -3.126 2.441 -1.390) 4.203 4.294 ( -0.286 -6.889 0.580) 6.919 4.387 ( 6.974 -1.177 1.116) 7.160 4.635 ( -7.583 1.511 -2.512) 8.130 4.908 ( 1.220 -8.064 3.907) 9.044 5.284 ( 1.457 -0.898 -1.113) 2.042 5.464 ( -7.203 -7.615 -2.240) 10.718 5.790 ( -14.643 4.841 2.204) 15.579 6.285 ( 1.446 -6.683 -0.366) 6.848 6.714 ( -1.579 -6.949 -0.211) 7.129 6.971 ( -5.357 -21.462 -0.042) 22.120 7.229 ( 8.311 -0.592 1.326) 8.437 8.120 ( 6.077 -4.985 2.121) 8.142 8.335 ( -7.178 13.982 -5.546) 16.667 9.043 ( 4.575 12.552 4.106) 13.976 9.177 ( -0.787 6.335 1.338) 6.522 9.546 ( -0.561 6.228 -0.636) 6.286 10.150 ( 1.744 9.402 -4.581) 10.603 10.403 ( -1.460 3.458 3.378) 5.050 11.657 ( 0.843 -20.918 -0.251) 20.936 11.899 ( -6.673 -20.142 -1.868) 21.301 14.674 ( 5.296 -0.270 -0.474) 5.324 15.109 ( 7.456 3.033 0.749) 8.084 16.052 ( 5.442 -1.064 0.435) 5.562 16.391 ( 2.893 2.453 -1.001) 3.923 20.849 ( -0.228 -16.075 0.709) 16.093 21.302 ( -1.095 -0.173 -2.070) 2.348======================= Grid point 208 (80/322) =======================q-point: ( 0.54 0.15 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.376 ( 6.120 17.018 6.339) 19.164 2.437 ( -2.605 1.839 5.122) 6.033 2.709 ( 3.772 -0.199 1.273) 3.986 3.093 ( -2.298 -4.142 2.915) 5.561 3.352 ( 3.572 -3.250 -1.648) 5.103 3.555 ( 1.563 -4.742 1.098) 5.113 3.614 ( -3.613 -6.578 -0.496) 7.521 3.671 ( 5.523 -6.497 -1.974) 8.753 4.065 ( -4.202 -2.851 3.111) 5.956 4.128 ( 2.534 0.372 -1.644) 3.044 4.377 ( -2.154 2.221 -1.182) 3.312 4.387 ( -0.030 -2.419 -1.223) 2.711 4.523 ( -3.773 3.667 -0.257) 5.268 5.094 ( 0.205 -6.280 -0.506) 6.304 5.322 ( 4.651 -2.022 -0.510) 5.097 5.566 ( -6.010 -6.349 -1.050) 8.805 5.686 ( -10.706 -1.826 -0.049) 10.861 6.262 ( 1.529 4.178 0.136) 4.451 6.889 ( 1.076 -5.819 0.538) 5.942 7.051 ( 7.944 3.344 2.160) 8.886 7.550 ( -0.756 -17.899 -0.325) 17.918 7.996 ( -9.087 10.639 -5.868) 15.172 8.332 ( 5.672 -9.262 3.528) 11.420 8.846 ( 2.964 11.082 4.048) 12.165 9.044 ( -2.120 5.773 2.129) 6.508 9.428 ( -0.545 5.814 -0.677) 5.879 9.996 ( 0.980 5.553 -3.172) 6.469 10.397 ( -1.598 -3.274 1.772) 4.051 12.013 ( 0.820 -12.837 -2.663) 13.136 12.234 ( -3.386 -18.059 -1.650) 18.448 14.707 ( 4.115 -0.208 0.410) 4.140 15.079 ( 3.642 3.500 0.132) 5.053 16.127 ( 4.915 -2.577 -0.027) 5.550 16.347 ( -0.113 2.881 -1.411) 3.210 21.097 ( 0.122 -9.334 -0.113) 9.336 21.264 ( 0.151 3.022 -0.231) 3.035======================= Grid point 209 (81/322) =======================q-point: ( 0.62 0.15 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.106 ( 2.205 11.689 7.564) 14.097 2.405 ( -2.136 0.119 5.809) 6.191 2.682 ( -0.230 3.604 0.679) 3.675 3.135 ( -2.656 -1.292 2.911) 4.147 3.437 ( 5.428 -2.307 -1.044) 5.990 3.622 ( -0.045 -0.876 1.535) 1.768 3.716 ( 0.188 -5.159 0.017) 5.162 3.812 ( 4.978 -4.730 -0.591) 6.892 4.036 ( -6.743 0.319 -0.665) 6.783 4.155 ( 0.362 0.908 1.408) 1.714 4.287 ( -3.429 3.207 -1.539) 4.941 4.403 ( 1.106 0.147 -2.425) 2.669 4.486 ( -0.461 0.010 0.610) 0.765 5.132 ( -3.351 0.163 -1.892) 3.852 5.396 ( 6.279 -1.277 -0.739) 6.450 5.622 ( -5.064 -2.476 -0.287) 5.645 5.731 ( -3.781 -6.960 -0.687) 7.950 6.214 ( 1.458 1.184 -0.045) 1.879 6.944 ( 5.313 1.050 1.795) 5.706 7.037 ( 3.264 2.040 1.096) 4.002 7.716 ( -3.150 4.022 -2.144) 5.540 7.859 ( -4.385 -6.436 -2.383) 8.145 8.581 ( 3.323 -11.942 4.746) 13.273 8.637 ( 0.401 11.925 3.202) 12.354 8.951 ( -2.059 2.605 2.582) 4.207 9.327 ( 0.204 3.201 -2.062) 3.813 9.943 ( 0.681 0.635 -2.319) 2.499 10.468 ( -1.003 -2.995 0.863) 3.274 12.144 ( -1.890 -1.987 -2.849) 3.955 12.532 ( 2.039 -11.752 -2.460) 12.179 14.726 ( 2.158 0.355 1.035) 2.420 15.016 ( 1.227 4.336 -0.319) 4.518 16.166 ( 2.804 2.317 -0.677) 3.699 16.287 ( -1.897 1.296 -1.300) 2.640 21.202 ( 0.058 1.676 -0.065) 1.678 21.222 ( 0.137 -2.246 0.030) 2.250======================= Grid point 210 (82/322) =======================q-point: (-0.31 0.15 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.046 ( -2.722 -4.872 6.956) 8.918 2.445 ( -1.290 -4.354 5.351) 7.018 2.585 ( -2.223 5.548 0.392) 5.989 3.127 ( -3.008 0.865 3.227) 4.495 3.465 ( 2.861 2.538 -0.788) 3.905 3.609 ( -0.698 1.365 -0.312) 1.564 3.814 ( 5.284 -3.108 1.565) 6.327 3.878 ( 0.988 0.853 -2.339) 2.678 3.990 ( -2.378 1.613 -0.126) 2.876 4.077 ( -6.518 3.940 -0.905) 7.670 4.252 ( 1.251 0.417 1.898) 2.311 4.404 ( 1.107 -0.170 -2.404) 2.652 4.488 ( -0.169 -0.168 0.463) 0.520 5.063 ( -2.217 4.751 -1.936) 5.589 5.437 ( 6.546 0.527 -0.017) 6.567 5.602 ( -5.050 0.944 -0.334) 5.149 5.907 ( 1.558 -11.602 -0.362) 11.711 6.231 ( 0.732 -2.001 -0.263) 2.146 6.913 ( 7.264 7.202 3.002) 10.660 7.025 ( -1.442 -0.712 -0.072) 1.609 7.617 ( -5.895 0.786 -1.891) 6.241 7.935 ( 0.701 -0.006 -1.199) 1.389 8.415 ( -0.394 9.887 1.441) 9.999 8.826 ( 0.552 -10.546 5.092) 11.724 8.934 ( -2.396 -1.789 2.595) 3.959 9.330 ( 1.443 -3.550 -2.537) 4.596 9.940 ( 0.671 -0.016 -2.147) 2.250 10.471 ( -0.872 2.315 0.802) 2.601 12.080 ( -1.151 6.860 -2.016) 7.242 12.670 ( 3.140 -0.614 -3.410) 4.676 14.722 ( -0.163 0.784 0.661) 1.039 14.923 ( 0.136 5.542 -0.166) 5.546 16.073 ( -0.770 6.133 -0.511) 6.202 16.271 ( -0.667 0.379 -1.089) 1.332 21.182 ( 0.061 -0.331 -0.042) 0.339 21.226 ( -0.162 2.287 0.049) 2.293======================= Grid point 211 (83/322) =======================q-point: (-0.23 0.15 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.218 ( -4.356 -11.104 5.479) 13.126 2.425 ( -1.559 9.916 0.770) 10.067 2.565 ( -1.558 -6.858 3.752) 7.971 3.076 ( -3.210 2.951 2.907) 5.240 3.376 ( 0.706 6.513 -0.563) 6.575 3.567 ( -0.906 2.593 -2.279) 3.569 3.785 ( -2.755 6.372 -5.135) 8.634 3.880 ( 6.501 3.550 1.165) 7.499 3.926 ( -3.127 5.842 -1.577) 6.812 3.958 ( -0.663 1.252 2.852) 3.185 4.253 ( -0.878 1.239 0.298) 1.547 4.415 ( 0.463 -0.084 -0.469) 0.665 4.505 ( 2.167 -1.671 2.295) 3.572 4.930 ( -0.288 6.975 -0.644) 7.010 5.460 ( 5.389 0.820 0.447) 5.470 5.546 ( -3.646 1.891 -0.445) 4.131 6.192 ( 3.792 -15.431 -0.198) 15.892 6.290 ( 0.307 -3.329 -0.296) 3.356 6.771 ( 0.860 9.215 3.623) 9.939 7.005 ( -0.587 3.322 -0.805) 3.468 7.615 ( -2.199 -2.533 -0.504) 3.392 7.821 ( -0.171 12.360 -1.604) 12.465 8.302 ( 2.122 1.170 -0.520) 2.478 8.992 ( -5.206 -6.172 1.473) 8.208 9.007 ( 0.126 -6.775 4.924) 8.376 9.456 ( 1.472 -7.962 -1.919) 8.321 9.970 ( 0.930 -4.060 -2.715) 4.972 10.395 ( -0.960 3.983 1.416) 4.335 11.872 ( 0.353 13.414 -0.543) 13.430 12.568 ( 1.743 11.974 -3.857) 12.700 14.693 ( -2.461 1.623 -1.622) 3.365 14.809 ( 1.037 5.967 1.852) 6.334 15.956 ( -1.098 4.635 0.080) 4.764 16.252 ( -0.211 0.981 -0.762) 1.260 21.103 ( -0.144 8.999 0.034) 9.000 21.245 ( 0.300 -4.681 -0.405) 4.708======================= Grid point 212 (84/322) =======================q-point: (-0.15 0.15 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.364 ( -2.502 -3.669 6.211) 7.635 2.162 ( 0.411 16.775 1.969) 16.895 2.675 ( -1.657 -3.899 1.186) 4.399 2.985 ( -2.428 4.961 1.723) 5.786 3.248 ( 1.325 6.867 0.229) 6.998 3.483 ( -2.013 4.896 -1.731) 5.569 3.614 ( -3.258 7.801 -8.089) 11.701 3.677 ( -1.384 15.934 -1.616) 16.076 3.789 ( -0.886 5.358 -1.451) 5.621 4.022 ( 5.932 -1.109 6.910) 9.174 4.155 ( -0.422 8.139 -0.703) 8.181 4.383 ( -1.083 2.851 -0.315) 3.066 4.590 ( 4.424 -3.239 5.358) 7.666 4.838 ( -0.923 0.831 0.288) 1.276 5.455 ( 0.900 1.799 -0.593) 2.097 5.484 ( 0.642 3.639 -0.438) 3.721 6.281 ( -0.289 8.894 -0.497) 8.913 6.453 ( -1.282 -2.228 2.134) 3.341 6.701 ( 0.532 -9.945 2.317) 10.225 6.924 ( -1.185 0.188 -1.187) 1.688 7.425 ( 0.874 25.614 -2.399) 25.741 7.672 ( -0.670 -2.277 0.969) 2.564 8.402 ( 4.741 -8.813 -1.985) 10.202 9.086 ( -4.370 -5.887 1.312) 7.448 9.152 ( -1.911 -8.308 3.895) 9.372 9.630 ( -0.113 -9.735 -2.389) 10.024 10.114 ( 1.596 -9.539 -4.603) 10.711 10.342 ( -0.587 0.860 2.554) 2.758 11.588 ( 1.102 15.158 1.920) 15.319 12.219 ( -0.735 22.873 -3.325) 23.125 14.607 ( -1.240 5.278 -2.138) 5.828 14.741 ( 1.404 2.034 2.550) 3.551 15.892 ( -0.246 1.360 0.327) 1.421 16.241 ( 0.674 -0.068 -0.290) 0.737 20.857 ( -0.479 15.968 1.038) 16.009 21.362 ( 0.799 -6.482 -2.961) 7.171======================= Grid point 213 (85/322) =======================q-point: (-0.08 0.15 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.334 ( 0.558 7.141 9.751) 12.099 1.797 ( 6.329 22.292 4.418) 23.591 2.653 ( 0.177 7.639 -3.437) 8.378 2.875 ( -1.279 4.947 1.957) 5.472 3.103 ( 1.715 10.477 1.104) 10.674 3.274 ( -3.580 18.781 -0.429) 19.124 3.362 ( -1.059 7.977 -1.191) 8.134 3.433 ( 1.002 8.901 -9.261) 12.884 3.696 ( -2.047 3.037 -1.186) 3.850 3.928 ( -1.844 10.757 3.554) 11.478 4.086 ( 3.369 1.414 5.241) 6.389 4.323 ( -0.385 1.752 -0.670) 1.915 4.654 ( 3.135 0.522 3.514) 4.738 4.881 ( -2.492 -4.132 1.555) 5.070 5.397 ( -2.038 3.549 -1.209) 4.267 5.410 ( 5.073 5.079 -0.361) 7.187 5.852 ( -0.932 30.729 -1.817) 30.797 6.352 ( -7.361 7.229 3.062) 10.762 6.839 ( -3.531 21.551 -0.466) 21.843 7.065 ( -3.072 -14.682 -0.677) 15.015 7.127 ( 1.525 -18.397 -0.175) 18.461 7.725 ( 3.236 -2.458 3.072) 5.093 8.644 ( 6.945 -11.477 -3.397) 13.838 9.154 ( -1.804 -1.963 1.405) 3.014 9.328 ( -4.026 -10.403 2.303) 11.390 9.832 ( -1.439 -11.863 -3.360) 12.413 10.236 ( 1.744 -0.086 -0.916) 1.972 10.407 ( 0.563 -7.882 -3.900) 8.812 11.345 ( 0.511 9.796 5.923) 11.459 11.700 ( -2.351 27.024 -1.079) 27.147 14.510 ( 4.305 4.286 0.604) 6.105 14.734 ( 1.334 0.020 0.414) 1.397 15.901 ( 1.120 -1.840 0.440) 2.199 16.268 ( 1.777 -2.074 -0.050) 2.731 20.483 ( -0.683 21.791 2.010) 21.894 21.462 ( -0.664 -3.394 -8.317) 9.007======================= Grid point 217 (86/322) =======================q-point: ( 0.23 0.23 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.093 ( 11.316 -0.000 20.839) 23.713 1.227 ( 25.620 -0.000 8.219) 26.906 2.165 ( 40.112 -0.000 0.269) 40.113 2.540 ( 3.366 -0.000 -7.870) 8.560 2.620 ( -14.149 0.000 6.494) 15.568 2.795 ( -2.645 0.000 2.248) 3.471 2.908 ( -8.146 0.000 -1.843) 8.351 3.278 ( 22.740 -0.000 -2.274) 22.853 3.352 ( -3.981 0.000 4.208) 5.793 3.384 ( -3.125 0.000 1.839) 3.626 3.876 ( 2.360 -0.000 -1.044) 2.581 3.907 ( -3.181 0.000 2.577) 4.094 4.124 ( 0.447 -0.000 0.239) 0.507 4.449 ( -0.832 0.000 0.669) 1.067 4.906 ( -14.039 0.000 -5.439) 15.056 5.199 ( -5.499 0.000 7.081) 8.965 5.446 ( -9.380 0.000 0.037) 9.380 5.654 ( -4.763 0.000 -4.212) 6.358 6.483 ( -7.155 0.000 7.787) 10.575 7.500 ( -9.012 0.000 0.180) 9.013 7.837 ( -1.731 0.000 5.850) 6.101 8.305 ( 1.592 -0.000 1.122) 1.948 8.803 ( 6.203 -0.000 0.122) 6.204 9.141 ( 0.611 -0.000 -7.322) 7.348 9.753 ( 0.942 -0.000 0.797) 1.234 9.815 ( 10.024 -0.000 1.106) 10.084 10.461 ( 3.627 -0.000 -0.526) 3.665 10.622 ( -12.416 0.000 -0.132) 12.416 10.670 ( -0.806 0.000 -0.819) 1.149 11.454 ( -3.113 0.000 5.055) 5.937 14.717 ( 6.130 -0.000 -4.178) 7.418 15.644 ( 0.277 -0.000 -2.306) 2.322 16.580 ( 9.792 -0.000 -0.402) 9.801 17.489 ( 15.892 -0.000 -34.820) 38.275 19.459 ( -0.093 0.000 0.109) 0.143 19.683 ( -0.060 0.000 -0.093) 0.111======================= Grid point 218 (87/322) =======================q-point: ( 0.31 0.23 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.278 ( 11.785 -8.259 16.339) 21.773 1.621 ( 20.670 -19.031 6.230) 28.779 2.422 ( 10.049 -5.889 -2.802) 11.980 2.543 ( -2.289 -3.575 0.451) 4.269 2.707 ( 9.566 -9.871 -5.148) 14.678 2.863 ( -2.328 -7.621 3.267) 8.613 2.938 ( -7.165 -7.223 -2.383) 10.449 3.375 ( 2.692 -2.919 1.216) 4.153 3.483 ( 15.665 -7.148 2.685) 17.427 3.503 ( 3.997 -10.345 3.820) 11.730 3.953 ( -2.042 -5.417 2.769) 6.418 4.123 ( -0.091 -17.566 -0.536) 17.575 4.220 ( -0.170 -11.604 1.530) 11.705 4.492 ( -1.682 -7.260 0.031) 7.453 4.846 ( -14.442 -4.527 -6.367) 16.420 5.175 ( -6.646 -0.354 3.597) 7.566 5.370 ( -6.606 2.067 0.177) 6.924 5.625 ( -9.479 -2.928 -3.359) 10.474 6.396 ( -5.892 6.442 8.189) 11.970 7.348 ( -9.127 9.788 -0.394) 13.389 7.800 ( 1.456 4.312 4.697) 6.541 8.169 ( 1.565 11.501 1.897) 11.761 8.965 ( 4.790 -9.526 -1.660) 10.791 9.098 ( -1.067 2.988 -3.971) 5.083 9.722 ( 4.437 5.823 -0.584) 7.344 9.946 ( 4.506 -7.259 1.188) 8.626 10.335 ( -3.834 10.861 -0.024) 11.518 10.514 ( 2.628 0.556 -1.273) 2.973 10.837 ( -4.477 -11.675 -0.532) 12.515 11.373 ( -5.986 5.851 4.141) 9.339 14.734 ( 7.839 2.000 -2.545) 8.481 15.532 ( 3.585 10.748 -1.439) 11.421 16.592 ( 9.881 4.848 -0.451) 11.016 16.823 ( 18.494 42.701 -9.546) 47.503 19.628 ( -0.500 -16.004 1.105) 16.050 20.332 ( -10.725 -42.787 -11.642) 45.621======================= Grid point 219 (88/322) =======================q-point: ( 0.38 0.23 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.548 ( 11.191 -8.868 11.093) 18.082 2.082 ( 15.564 -15.306 4.433) 22.275 2.472 ( -11.243 -4.396 2.824) 12.398 2.682 ( 0.337 -7.737 -3.508) 8.502 2.977 ( 8.506 -10.652 -5.479) 14.692 3.044 ( -2.214 -9.860 -0.282) 10.110 3.093 ( 0.491 -11.827 -1.000) 11.879 3.454 ( -1.076 -2.434 -1.083) 2.873 3.657 ( 5.024 -6.846 1.297) 8.590 3.856 ( 24.107 -14.217 6.479) 28.728 4.056 ( -2.421 -6.095 2.563) 7.042 4.272 ( -0.000 -0.911 1.515) 1.768 4.575 ( 0.118 -8.477 2.427) 8.818 4.671 ( -8.384 -14.876 0.108) 17.076 5.089 ( -7.733 -28.077 -5.522) 29.641 5.151 ( -9.939 -2.348 -2.798) 10.589 5.343 ( 0.159 -4.497 1.514) 4.748 5.735 ( -14.482 -19.520 -2.690) 24.454 6.192 ( -6.313 11.705 7.481) 15.259 7.051 ( -7.892 13.930 -0.985) 16.040 7.679 ( 7.861 11.979 2.478) 14.541 8.013 ( 0.041 3.179 3.827) 4.975 8.905 ( -3.154 11.148 -7.380) 13.736 9.201 ( 2.691 -7.120 1.888) 7.843 9.577 ( 6.666 11.754 0.730) 13.532 9.920 ( -4.008 10.919 -0.996) 11.674 10.327 ( 4.982 -9.092 0.724) 10.392 10.486 ( 0.978 3.400 -2.379) 4.263 11.098 ( -2.371 -16.861 -0.542) 17.035 11.216 ( -8.654 3.818 3.991) 10.266 14.724 ( 7.676 2.988 -0.844) 8.281 15.342 ( 8.333 10.348 -0.181) 13.287 16.304 ( 10.989 18.648 -0.996) 21.668 16.547 ( 7.245 5.836 -0.714) 9.330 20.025 ( -0.756 -23.139 1.868) 23.226 20.907 ( -8.626 -24.159 -9.033) 27.197======================= Grid point 220 (89/322) =======================q-point: ( 0.46 0.23 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.737 ( 10.217 -1.407 7.473) 12.737 2.382 ( 4.456 -7.052 3.119) 8.905 2.531 ( -3.090 -6.961 3.841) 8.530 2.830 ( -1.243 -8.161 -0.027) 8.255 3.178 ( 4.441 -7.110 -2.177) 8.661 3.239 ( -2.321 -11.520 -0.095) 11.752 3.336 ( 4.695 -10.494 -2.933) 11.864 3.449 ( -2.825 -0.174 -2.495) 3.773 3.842 ( 6.948 -7.249 2.203) 10.280 4.136 ( -4.443 -5.956 1.095) 7.511 4.194 ( 3.215 -2.306 0.895) 4.057 4.370 ( 15.842 -7.906 2.844) 17.932 4.569 ( -7.058 -0.780 -1.796) 7.325 4.832 ( -3.153 -2.507 3.761) 5.511 5.164 ( -12.543 -6.660 -6.099) 15.456 5.311 ( -2.503 -5.176 0.624) 5.784 5.848 ( 2.242 -32.116 -1.181) 32.216 5.912 ( -8.074 11.441 4.986) 14.864 6.252 ( -10.898 -37.598 -1.907) 39.192 6.765 ( -4.206 10.277 -0.316) 11.109 7.476 ( 9.626 12.841 2.492) 16.241 8.048 ( 1.501 -4.480 3.273) 5.748 8.593 ( -5.342 16.073 -7.231) 18.416 9.264 ( 0.002 2.412 3.653) 4.377 9.361 ( 7.420 14.308 1.151) 16.158 9.684 ( -2.039 9.054 -1.312) 9.373 10.333 ( 1.637 8.273 -2.449) 8.782 10.490 ( 0.986 2.303 0.640) 2.586 11.255 ( -5.229 -15.806 2.208) 16.794 11.468 ( -3.220 -20.253 -0.895) 20.527 14.719 ( 6.705 1.551 0.200) 6.885 15.237 ( 7.213 5.682 0.100) 9.183 16.124 ( 6.128 5.945 0.242) 8.542 16.476 ( 4.053 4.528 -1.000) 6.158 20.474 ( -0.561 -21.848 1.576) 21.912 21.191 ( -3.460 -10.417 -4.671) 11.929======================= Grid point 221 (90/322) =======================q-point: ( 0.54 0.23 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.711 ( 7.588 10.632 6.499) 14.590 2.444 ( -3.233 -0.862 4.680) 5.753 2.682 ( 2.723 -5.173 2.388) 6.315 2.977 ( -0.892 -6.875 2.123) 7.251 3.314 ( 5.914 -3.876 -1.146) 7.164 3.433 ( -3.412 -9.457 -0.580) 10.071 3.464 ( 0.110 -4.386 -0.962) 4.491 3.554 ( 5.506 -8.384 -2.551) 10.350 3.982 ( -2.497 -3.740 4.738) 6.532 4.143 ( 0.670 -0.327 -2.136) 2.263 4.292 ( -0.030 -5.569 0.071) 5.570 4.421 ( -2.911 3.297 -1.392) 4.613 4.580 ( 0.312 2.316 -1.126) 2.594 4.945 ( 3.910 -8.861 2.234) 9.940 5.237 ( -7.942 -7.657 -5.380) 12.274 5.408 ( -1.849 -5.884 0.536) 6.191 5.663 ( -8.250 6.700 2.419) 10.900 6.303 ( 1.625 -6.259 -0.366) 6.477 6.697 ( -1.175 -8.534 -0.220) 8.617 6.908 ( -4.475 -29.885 -0.499) 30.222 7.343 ( 8.739 4.756 2.839) 10.346 8.148 ( -2.230 1.631 -1.372) 3.085 8.264 ( -1.337 7.046 -2.191) 7.499 9.117 ( 5.383 13.658 3.585) 15.112 9.161 ( -2.340 6.915 2.179) 7.618 9.542 ( 0.025 6.020 -0.515) 6.043 10.156 ( 1.714 9.661 -4.423) 10.763 10.388 ( -2.727 3.821 3.097) 5.624 11.668 ( 1.430 -23.086 -0.944) 23.150 11.828 ( -4.804 -18.997 -0.996) 19.620 14.738 ( 5.324 0.446 0.812) 5.404 15.176 ( 3.848 4.270 -0.162) 5.750 16.114 ( 4.632 -0.925 0.168) 4.727 16.411 ( 1.172 3.689 -1.434) 4.127 20.849 ( -0.124 -16.154 0.731) 16.171 21.285 ( -0.656 -1.588 -1.879) 2.546======================= Grid point 222 (91/322) =======================q-point: ( 0.62 0.23 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.457 ( 3.705 18.337 6.983) 19.968 2.426 ( -2.027 1.548 5.844) 6.377 2.734 ( 0.162 0.883 1.117) 1.433 3.079 ( -1.308 -3.711 2.792) 4.824 3.414 ( 6.992 -3.131 -1.488) 7.804 3.565 ( -3.681 -5.962 -0.946) 7.070 3.581 ( 1.130 -6.431 1.859) 6.789 3.733 ( 6.104 -6.572 -1.269) 9.059 3.978 ( -9.673 -0.984 1.850) 9.897 4.190 ( 6.890 -0.172 0.386) 6.903 4.315 ( -6.073 2.818 -2.083) 7.011 4.381 ( -0.209 -2.696 -1.404) 3.046 4.515 ( 0.489 3.011 0.076) 3.052 5.077 ( -2.164 -3.417 -2.261) 4.634 5.358 ( 2.927 -6.171 -2.459) 7.259 5.509 ( -3.734 -5.597 0.608) 6.755 5.594 ( -4.964 -3.167 0.206) 5.892 6.275 ( 0.648 4.052 -0.409) 4.124 6.892 ( -0.182 -7.059 -0.186) 7.064 7.146 ( 5.554 2.118 2.551) 6.468 7.555 ( 1.230 -18.099 0.559) 18.149 7.887 ( -5.338 11.933 -4.577) 13.851 8.387 ( 1.783 -9.562 3.360) 10.291 8.887 ( 1.170 12.552 2.146) 12.787 9.031 ( -0.812 5.678 3.575) 6.758 9.419 ( -0.584 6.072 -1.072) 6.193 9.997 ( 0.971 5.642 -3.077) 6.499 10.384 ( -1.476 -3.677 1.615) 4.279 12.013 ( 0.852 -10.580 -2.091) 10.818 12.203 ( -1.408 -21.021 -1.706) 21.137 14.755 ( 3.348 0.705 1.328) 3.670 15.107 ( 1.307 4.285 -0.506) 4.508 16.180 ( 3.910 -2.462 -0.391) 4.637 16.331 ( -1.409 4.247 -1.633) 4.764 21.099 ( 0.168 -9.318 -0.036) 9.320 21.264 ( -0.026 2.676 -0.371) 2.702======================= Grid point 223 (92/322) =======================q-point: (-0.31 0.23 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.140 ( -0.579 13.651 7.162) 15.426 2.402 ( -1.601 0.069 6.046) 6.254 2.675 ( -0.947 4.391 0.357) 4.506 3.120 ( -1.278 -0.885 3.295) 3.643 3.496 ( 4.385 -1.310 -0.857) 4.656 3.606 ( -3.114 -0.807 -1.001) 3.369 3.726 ( 0.907 -6.940 1.529) 7.164 3.868 ( 5.004 -3.348 -0.024) 6.020 3.957 ( -5.671 -1.762 -0.373) 5.950 4.150 ( -1.141 5.245 -0.432) 5.385 4.274 ( 0.906 0.360 0.821) 1.274 4.408 ( 0.929 -0.280 -2.187) 2.393 4.483 ( -0.453 0.309 0.204) 0.585 5.090 ( -2.018 -0.079 -2.685) 3.360 5.461 ( 5.366 -1.950 -1.272) 5.849 5.565 ( -4.724 -2.249 0.276) 5.239 5.703 ( -0.833 -8.970 -0.303) 9.014 6.222 ( -0.016 1.134 -0.679) 1.322 6.970 ( 0.006 -2.376 -0.019) 2.376 7.097 ( 3.115 5.462 2.851) 6.904 7.670 ( -1.355 7.263 -2.276) 7.731 7.842 ( 1.005 -9.669 -0.120) 9.722 8.595 ( -1.503 -5.597 3.277) 6.657 8.653 ( -0.875 6.628 2.451) 7.120 8.946 ( -0.160 3.045 3.324) 4.511 9.322 ( 0.101 2.577 -2.430) 3.544 9.945 ( 0.751 0.640 -2.206) 2.417 10.461 ( -0.598 -3.069 0.790) 3.225 12.128 ( 0.625 -1.496 -1.701) 2.350 12.540 ( 0.650 -12.867 -3.227) 13.282 14.749 ( 0.969 1.450 1.291) 2.170 15.023 ( 0.227 4.649 -0.558) 4.688 16.195 ( 2.300 5.520 -1.048) 6.071 16.259 ( -1.805 -0.736 -1.101) 2.238 21.201 ( -0.107 1.491 -0.175) 1.505 21.224 ( 0.139 -1.971 0.092) 1.978======================= Grid point 224 (93/322) =======================q-point: (-0.23 0.23 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.029 ( -3.648 -3.415 5.828) 7.677 2.444 ( -1.756 -4.436 5.140) 7.013 2.569 ( -0.658 5.961 0.165) 6.000 3.112 ( -1.207 1.498 3.239) 3.767 3.489 ( 1.552 3.847 -0.055) 4.149 3.580 ( -3.163 0.746 -2.733) 4.246 3.823 ( -3.016 -0.726 -0.723) 3.186 3.915 ( 3.713 -1.843 0.976) 4.258 3.974 ( -1.292 0.322 -1.591) 2.074 4.038 ( 1.808 5.262 0.187) 5.568 4.265 ( 0.330 1.096 1.768) 2.106 4.414 ( 1.182 -0.239 -1.220) 1.716 4.492 ( 0.850 -1.105 0.931) 1.676 5.044 ( 0.298 4.103 -2.149) 4.641 5.491 ( -0.673 0.474 0.132) 0.834 5.562 ( 1.473 0.577 0.060) 1.583 5.918 ( 0.499 -13.038 -0.074) 13.047 6.229 ( -0.768 -2.033 -0.815) 2.321 6.967 ( -2.238 8.480 2.884) 9.232 7.012 ( 0.797 -1.321 -0.120) 1.547 7.588 ( 2.854 1.296 -0.701) 3.212 7.942 ( 0.752 0.195 -0.707) 1.050 8.410 ( -1.168 8.888 0.578) 8.983 8.814 ( -4.409 -9.249 2.864) 10.638 8.934 ( 0.359 -1.624 3.673) 4.032 9.336 ( 0.929 -4.153 -2.336) 4.855 9.942 ( 0.743 -0.029 -2.056) 2.186 10.466 ( -0.343 2.393 0.701) 2.517 12.080 ( 1.913 6.855 -1.020) 7.190 12.674 ( -0.352 -0.883 -4.299) 4.403 14.716 ( -1.048 1.955 0.089) 2.220 14.928 ( 0.724 5.187 0.287) 5.245 16.068 ( 0.295 6.736 -0.480) 6.760 16.266 ( 0.436 0.207 -0.933) 1.051 21.183 ( 0.216 -0.540 0.070) 0.586 21.224 ( -0.150 2.498 -0.024) 2.503======================= Grid point 225 (94/322) =======================q-point: (-0.15 0.23 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.192 ( -2.578 -11.545 4.506) 12.659 2.420 ( 0.278 9.164 0.687) 9.194 2.558 ( -1.522 -6.265 3.522) 7.346 3.060 ( -0.887 3.498 2.301) 4.280 3.389 ( 1.683 6.494 0.081) 6.709 3.529 ( -3.094 2.247 -3.915) 5.472 3.723 ( -4.575 6.655 -3.052) 8.633 3.870 ( -5.311 4.870 -1.819) 7.432 3.934 ( 3.750 8.363 -0.387) 9.173 4.026 ( 7.389 -2.525 2.095) 8.085 4.244 ( -0.166 1.881 0.964) 2.121 4.415 ( -0.127 0.849 -0.816) 1.184 4.557 ( 4.632 -3.686 4.536) 7.457 4.929 ( 0.673 7.219 -0.831) 7.298 5.450 ( -6.594 0.701 0.041) 6.632 5.566 ( 6.266 2.012 0.338) 6.589 6.204 ( -1.667 -15.696 0.272) 15.787 6.283 ( -1.201 -3.663 -0.576) 3.898 6.766 ( -3.460 9.456 3.310) 10.599 6.997 ( -0.281 3.725 -1.143) 3.907 7.633 ( 4.986 -2.257 0.200) 5.477 7.815 ( 0.306 13.252 -1.479) 13.338 8.320 ( 0.928 -0.596 -0.217) 1.124 8.930 ( -5.694 -6.579 0.377) 8.709 9.023 ( 0.046 -5.688 4.272) 7.114 9.461 ( 0.335 -7.519 -1.588) 7.692 9.975 ( 1.283 -4.214 -2.604) 5.117 10.393 ( -0.174 3.914 1.359) 4.147 11.889 ( 2.532 13.470 0.161) 13.707 12.548 ( -2.735 12.023 -4.637) 13.173 14.662 ( -1.778 2.546 -1.924) 3.653 14.839 ( 3.015 4.874 2.137) 6.116 15.956 ( 1.071 4.770 0.075) 4.889 16.258 ( 1.558 0.847 -0.538) 1.853 21.101 ( -0.158 9.104 -0.035) 9.106 21.249 ( 0.424 -4.730 -0.285) 4.758======================= Grid point 226 (95/322) =======================q-point: (-0.08 0.23 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.372 ( 0.689 -5.063 5.809) 7.737 2.202 ( 5.018 14.772 2.284) 15.767 2.654 ( -2.446 -3.553 0.982) 4.424 2.975 ( -0.131 5.099 1.099) 5.218 3.274 ( 2.556 6.673 0.584) 7.170 3.442 ( -2.939 4.507 -2.817) 6.073 3.527 ( -5.032 9.592 -6.766) 12.771 3.713 ( 4.710 12.687 -0.554) 13.544 3.756 ( -3.374 6.610 -2.019) 7.691 4.108 ( 5.291 -0.397 4.592) 7.017 4.156 ( 1.014 7.725 0.215) 7.794 4.369 ( -1.032 3.069 -0.785) 3.332 4.678 ( 7.019 -2.437 7.246) 10.378 4.816 ( -2.594 1.581 -0.037) 3.038 5.402 ( -6.506 0.281 -0.701) 6.550 5.536 ( 4.843 4.496 -0.389) 6.620 6.263 ( -2.762 8.411 -0.287) 8.857 6.384 ( -10.455 -0.519 1.561) 10.584 6.720 ( 1.188 -9.408 2.321) 9.762 6.919 ( 1.140 -0.853 -1.445) 2.029 7.378 ( -6.788 25.614 -2.344) 26.601 7.736 ( 9.721 -0.607 1.329) 9.830 8.447 ( 3.429 -10.346 -1.051) 10.950 9.038 ( -4.004 -7.605 -0.418) 8.605 9.148 ( -0.796 -6.543 3.907) 7.662 9.612 ( -1.471 -8.905 -2.365) 9.331 10.122 ( 2.131 -9.350 -4.526) 10.604 10.353 ( 0.919 0.312 2.734) 2.901 11.610 ( 1.419 15.434 2.334) 15.674 12.174 ( -4.826 22.535 -3.818) 23.360 14.596 ( 0.274 3.078 -2.189) 3.787 14.790 ( 5.686 3.036 2.640) 6.965 15.904 ( 1.998 1.382 0.288) 2.446 16.261 ( 2.891 -0.167 -0.150) 2.900 20.855 ( -0.486 15.950 0.928) 15.984 21.357 ( -0.133 -5.585 -2.859) 6.275======================= Grid point 231 (96/322) =======================q-point: ( 0.31 0.31 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.293 ( 13.216 -0.000 16.332) 21.009 1.543 ( 24.816 -0.000 6.396) 25.627 2.367 ( -12.142 0.000 2.734) 12.446 2.540 ( -0.638 0.000 -6.124) 6.157 2.655 ( 24.833 -0.000 -3.823) 25.125 2.767 ( -3.636 0.000 0.438) 3.663 2.811 ( -5.751 0.000 -2.169) 6.146 3.319 ( -4.154 0.000 5.042) 6.533 3.381 ( 2.218 -0.000 3.968) 4.546 3.589 ( 28.524 -0.000 4.536) 28.882 3.881 ( -2.832 0.000 2.638) 3.870 3.898 ( 1.961 -0.000 -1.321) 2.365 4.128 ( 0.081 -0.000 0.188) 0.205 4.422 ( -3.373 0.000 -0.278) 3.385 4.733 ( -12.490 0.000 -4.475) 13.268 5.129 ( -10.587 0.000 1.789) 10.737 5.360 ( -4.605 0.000 2.182) 5.096 5.537 ( -12.597 0.000 -4.047) 13.231 6.452 ( -2.982 0.000 9.085) 9.562 7.403 ( -7.577 0.000 0.391) 7.587 7.841 ( -0.930 0.000 5.844) 5.918 8.325 ( 1.388 -0.000 0.619) 1.520 8.869 ( 5.003 -0.000 0.103) 5.004 9.115 ( -1.105 0.000 -5.901) 6.003 9.765 ( 0.707 -0.000 0.454) 0.840 9.937 ( 10.061 -0.000 1.462) 10.167 10.453 ( -8.069 0.000 1.023) 8.133 10.538 ( 1.187 -0.000 -1.838) 2.188 10.660 ( -0.638 0.000 -0.636) 0.901 11.402 ( -7.238 0.000 1.988) 7.506 14.805 ( 10.032 -0.000 -1.044) 10.086 15.629 ( -1.683 0.000 -1.709) 2.399 16.705 ( 11.530 -0.000 -0.528) 11.542 17.503 ( 4.133 -0.000 -24.559) 24.904 19.458 ( -0.089 0.000 0.112) 0.143 19.683 ( -0.052 0.000 -0.089) 0.103======================= Grid point 232 (97/322) =======================q-point: ( 0.38 0.31 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.471 ( 13.459 -7.019 12.827) 19.873 1.879 ( 20.461 -15.394 4.952) 26.080 2.311 ( -17.232 -3.441 4.425) 18.120 2.552 ( -3.312 -4.147 -4.382) 6.883 2.818 ( -1.215 -7.271 -1.815) 7.591 2.874 ( 1.543 -7.363 -2.909) 8.066 2.893 ( 12.817 -9.369 -4.020) 16.377 3.384 ( -1.207 -4.030 2.535) 4.911 3.503 ( 3.073 -10.279 2.838) 11.098 3.826 ( 28.484 -6.885 7.359) 30.214 3.931 ( -2.585 -5.778 2.005) 6.640 4.133 ( 1.442 -16.686 0.390) 16.753 4.224 ( 0.324 -11.346 2.154) 11.553 4.465 ( -2.455 -9.096 -0.417) 9.430 4.668 ( -12.263 -2.755 -5.506) 13.722 5.057 ( -13.801 -0.324 -2.838) 14.094 5.334 ( -1.146 1.034 4.027) 4.312 5.465 ( -14.798 -2.350 -3.621) 15.415 6.378 ( -2.303 7.516 9.257) 12.144 7.253 ( -6.844 10.339 0.064) 12.399 7.838 ( 2.058 1.306 5.290) 5.825 8.185 ( 0.466 12.062 0.957) 12.108 8.997 ( 1.674 -4.299 -4.555) 6.483 9.077 ( -0.077 -0.877 -1.253) 1.531 9.765 ( 3.217 2.937 0.128) 4.358 10.006 ( 4.411 -0.824 1.734) 4.811 10.291 ( -3.138 6.083 -0.405) 6.857 10.541 ( 2.244 1.160 -0.513) 2.578 10.796 ( -2.267 -11.784 -0.555) 12.013 11.295 ( -8.175 6.076 1.008) 10.235 14.835 ( 9.651 2.829 0.471) 10.069 15.545 ( 0.020 6.801 -1.276) 6.919 16.708 ( 9.856 5.973 -0.777) 11.550 16.951 ( 9.459 37.673 -9.368) 39.956 19.625 ( -0.448 -15.956 0.971) 15.992 20.205 ( -6.298 -38.386 -6.817) 39.492======================= Grid point 233 (98/322) =======================q-point: ( 0.46 0.31 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.717 ( 12.187 -7.397 9.081) 16.902 2.248 ( 6.499 -10.031 3.666) 12.502 2.344 ( -8.022 -8.806 4.681) 12.799 2.654 ( -3.427 -8.740 -2.436) 9.699 2.991 ( -3.169 -11.414 -1.031) 11.891 3.044 ( 2.784 -8.610 -0.087) 9.049 3.152 ( 9.204 -10.777 -4.269) 14.801 3.429 ( -2.194 -0.959 -0.514) 2.449 3.723 ( 6.286 -8.964 1.226) 11.017 4.014 ( -4.608 -4.295 1.958) 6.597 4.159 ( 17.351 -6.914 2.949) 18.909 4.319 ( 10.133 -5.585 4.939) 12.580 4.541 ( -6.270 0.725 -2.780) 6.897 4.609 ( -2.312 -20.687 3.248) 21.067 4.937 ( -15.842 -13.221 -4.425) 21.103 5.058 ( -2.594 -19.146 -4.161) 19.764 5.369 ( 2.535 -8.056 2.456) 8.795 5.542 ( -16.216 -19.807 -2.474) 25.718 6.166 ( -2.896 13.460 7.309) 15.588 6.976 ( -4.598 13.100 0.098) 13.884 7.783 ( 8.340 10.753 2.486) 13.833 8.002 ( -3.703 1.804 3.213) 5.224 8.842 ( -3.019 12.248 -8.533) 15.230 9.236 ( 2.005 -6.421 2.862) 7.310 9.663 ( 7.320 10.491 0.853) 12.821 9.869 ( -4.457 11.421 0.007) 12.260 10.388 ( 4.871 -10.278 0.517) 11.386 10.486 ( 0.007 4.636 -1.413) 4.847 11.075 ( -1.394 -16.202 -0.324) 16.265 11.122 ( -8.362 3.160 1.327) 9.037 14.816 ( 7.518 3.891 1.400) 8.580 15.403 ( 3.003 7.581 -0.766) 8.190 16.410 ( 7.629 20.687 -1.611) 22.108 16.618 ( 5.319 7.401 -1.415) 9.223 20.022 ( -0.654 -23.151 1.707) 23.223 20.806 ( -4.532 -26.081 -6.273) 27.205======================= Grid point 234 (99/322) =======================q-point: ( 0.54 0.31 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.873 ( 8.455 0.201 7.149) 11.074 2.361 ( -7.023 -5.629 4.800) 10.201 2.553 ( 2.277 -9.041 3.025) 9.801 2.827 ( 0.844 -8.998 0.333) 9.044 3.197 ( -2.370 -11.035 -1.308) 11.362 3.233 ( 2.905 -8.562 1.676) 9.196 3.401 ( 7.605 -9.290 -3.479) 12.500 3.422 ( -0.326 -1.276 -1.537) 2.024 3.908 ( 2.373 -4.851 3.730) 6.563 4.064 ( -6.124 -5.089 0.723) 7.996 4.239 ( 3.682 -1.117 -0.396) 3.868 4.458 ( -4.868 3.043 -2.841) 6.405 4.588 ( 12.192 -4.958 0.334) 13.166 4.841 ( 4.212 -6.321 5.291) 9.257 4.957 ( -18.460 -9.400 -7.564) 22.053 5.297 ( -1.095 -5.546 0.472) 5.673 5.837 ( -5.034 7.948 4.161) 10.287 5.885 ( 2.145 -28.724 -0.708) 28.812 6.149 ( -5.498 -38.145 -0.923) 38.550 6.730 ( -1.789 9.315 0.454) 9.496 7.576 ( 5.511 12.271 2.012) 13.601 8.058 ( -1.034 -5.844 3.081) 6.687 8.522 ( -2.429 16.395 -7.467) 18.178 9.274 ( -0.440 3.832 3.732) 5.367 9.444 ( 5.752 15.415 2.349) 16.621 9.662 ( -1.198 6.915 -1.276) 7.133 10.341 ( 1.143 8.422 -2.441) 8.843 10.494 ( -0.497 5.016 0.854) 5.112 11.207 ( -3.598 -19.522 0.867) 19.869 11.440 ( -1.262 -19.145 -0.379) 19.190 14.794 ( 5.302 2.182 1.876) 6.032 15.291 ( 2.542 5.656 -0.719) 6.243 16.183 ( 3.725 6.741 -0.191) 7.704 16.507 ( 2.014 5.682 -1.517) 6.217 20.473 ( -0.440 -21.943 1.517) 21.999 21.151 ( -1.118 -12.087 -3.716) 12.695======================= Grid point 235 (100/322) =======================q-point: ( 0.62 0.31 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.798 ( 3.008 11.917 7.207) 14.248 2.425 ( -2.237 -2.198 5.861) 6.647 2.698 ( -0.910 -4.741 1.871) 5.178 2.985 ( 0.787 -6.130 1.923) 6.472 3.379 ( -1.707 -8.932 -1.128) 9.164 3.388 ( 3.523 -4.575 -0.470) 5.794 3.475 ( 1.137 -5.466 0.603) 5.616 3.625 ( 7.862 -8.338 -2.319) 11.693 3.914 ( -8.992 0.173 4.762) 10.176 4.182 ( 3.809 -5.567 -1.059) 6.828 4.302 ( 2.387 -3.053 -0.445) 3.901 4.353 ( -5.349 3.864 -2.294) 6.986 4.592 ( 0.782 4.149 -0.836) 4.304 4.966 ( -4.674 -6.161 -3.983) 8.699 5.163 ( 2.692 -13.416 -0.747) 13.704 5.389 ( -2.085 -5.168 -0.163) 5.575 5.609 ( -2.921 7.260 2.120) 8.108 6.316 ( 0.649 -5.345 -0.579) 5.416 6.688 ( -0.271 -9.303 -0.157) 9.309 6.873 ( -1.264 -32.479 -0.273) 32.505 7.421 ( 2.094 5.053 2.646) 6.076 8.112 ( -0.169 8.582 -2.716) 9.003 8.263 ( 0.029 -0.269 0.143) 0.306 9.115 ( -3.793 10.534 -0.027) 11.196 9.207 ( 4.982 11.342 6.268) 13.884 9.539 ( -0.322 6.199 -0.900) 6.272 10.163 ( 1.792 10.039 -4.360) 11.091 10.365 ( -2.509 3.413 2.836) 5.098 11.684 ( 1.592 -25.878 -1.095) 25.950 11.784 ( -2.015 -16.852 -0.511) 16.979 14.794 ( 3.174 1.027 2.144) 3.966 15.198 ( 0.364 4.735 -0.967) 4.847 16.152 ( 1.533 -0.975 -0.332) 1.847 16.413 ( 0.274 4.593 -1.708) 4.907 20.851 ( -0.054 -16.221 0.799) 16.241 21.276 ( 0.040 -2.182 -1.800) 2.829======================= Grid point 236 (101/322) =======================q-point: (-0.31 -0.69 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.497 ( -0.894 19.296 7.379) 20.678 2.429 ( -0.814 1.518 6.552) 6.774 2.729 ( -1.156 0.981 0.720) 1.678 3.083 ( 0.138 -3.314 2.991) 4.466 3.470 ( 0.519 -3.187 -1.208) 3.448 3.519 ( -0.578 -5.617 -1.617) 5.873 3.602 ( 0.541 -6.276 2.381) 6.734 3.812 ( 8.020 -6.276 -1.081) 10.241 3.883 ( -7.057 -1.527 2.532) 7.651 4.233 ( -5.463 3.765 -1.952) 6.916 4.281 ( 6.968 -0.793 0.636) 7.041 4.374 ( -0.268 -2.997 -1.377) 3.309 4.514 ( -0.778 3.124 -0.538) 3.264 5.035 ( -2.654 -3.952 -4.403) 6.485 5.399 ( 5.510 -7.579 -1.769) 9.536 5.465 ( -4.867 -4.231 0.292) 6.456 5.572 ( 0.937 -3.793 0.680) 3.966 6.273 ( -0.592 4.117 -0.927) 4.261 6.889 ( -0.114 -6.961 -0.308) 6.969 7.174 ( -1.912 0.359 1.725) 2.600 7.562 ( -0.822 -16.984 0.421) 17.009 7.878 ( 5.705 11.576 -1.846) 13.037 8.397 ( -1.627 -9.445 2.965) 10.033 8.870 ( -4.046 11.829 0.420) 12.509 9.060 ( 2.809 7.369 5.230) 9.463 9.408 ( -0.678 6.137 -1.703) 6.405 9.999 ( 0.928 5.694 -2.953) 6.481 10.377 ( -0.538 -4.042 1.530) 4.356 12.026 ( 2.113 -9.468 -1.018) 9.754 12.186 ( -0.406 -22.329 -2.324) 22.454 14.787 ( 0.939 1.427 2.206) 2.790 15.106 ( -0.940 4.292 -1.170) 4.547 16.201 ( -0.543 -3.084 -0.856) 3.247 16.317 ( 0.485 5.252 -1.629) 5.520 21.101 ( 0.161 -9.267 0.054) 9.268 21.262 ( -0.164 2.541 -0.521) 2.599======================= Grid point 237 (102/322) =======================q-point: (-0.23 -0.69 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.136 ( -3.624 14.754 6.977) 16.718 2.406 ( -1.086 0.444 6.282) 6.391 2.666 ( -0.565 4.378 0.063) 4.415 3.127 ( 0.362 -0.520 3.553) 3.609 3.514 ( -1.882 -1.657 -0.516) 2.560 3.568 ( -0.854 -0.234 -1.425) 1.678 3.732 ( -0.785 -6.286 1.023) 6.417 3.882 ( -4.790 -0.994 0.350) 4.905 3.956 ( 7.127 -3.772 -0.241) 8.067 4.131 ( -1.514 3.842 -1.111) 4.276 4.308 ( 4.276 1.676 1.558) 4.850 4.408 ( 0.145 -0.941 -1.840) 2.072 4.478 ( -0.467 -0.236 0.331) 0.619 5.076 ( 1.304 -0.912 -3.311) 3.674 5.466 ( -5.712 -1.007 -1.218) 5.926 5.557 ( 4.760 -4.114 0.025) 6.292 5.711 ( 2.438 -8.290 0.058) 8.641 6.211 ( -1.291 1.185 -1.080) 2.059 6.960 ( -1.830 -1.934 -0.113) 2.664 7.093 ( -4.440 4.632 2.222) 6.790 7.689 ( 4.392 4.461 -1.610) 6.464 7.874 ( 4.579 -6.475 1.295) 8.036 8.584 ( -1.936 -5.396 2.741) 6.354 8.620 ( -5.408 6.498 1.316) 8.556 8.966 ( 1.242 3.878 4.100) 5.778 9.315 ( 0.119 2.108 -2.776) 3.488 9.946 ( 0.693 0.627 -2.121) 2.318 10.460 ( 0.147 -3.019 0.797) 3.126 12.148 ( 3.255 -1.484 -0.924) 3.694 12.527 ( -0.900 -12.658 -3.766) 13.237 14.754 ( -0.886 2.207 1.505) 2.815 15.017 ( -0.824 4.061 -0.813) 4.222 16.194 ( -1.886 5.002 -1.044) 5.447 16.258 ( 2.226 -0.573 -1.175) 2.581 21.198 ( -0.246 1.269 -0.248) 1.316 21.226 ( 0.108 -1.831 0.130) 1.839======================= Grid point 238 (103/322) =======================q-point: (-0.15 0.31 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.003 ( -3.596 -3.479 5.394) 7.358 2.437 ( -2.004 -3.431 5.122) 6.483 2.571 ( 1.116 5.070 0.093) 5.192 3.119 ( 0.605 2.029 2.968) 3.646 3.499 ( -0.868 2.828 0.770) 3.057 3.538 ( -1.171 1.531 -2.698) 3.316 3.792 ( -2.069 1.668 0.282) 2.673 3.852 ( -8.422 -0.955 -2.759) 8.913 4.036 ( 6.631 -0.950 0.611) 6.726 4.069 ( 2.552 3.412 -0.880) 4.351 4.287 ( 2.824 2.231 1.639) 3.955 4.418 ( 0.165 -0.284 -1.337) 1.377 4.519 ( 2.805 -2.948 2.773) 4.924 5.058 ( 3.025 3.978 -2.238) 5.476 5.422 ( -8.072 0.815 -0.660) 8.139 5.631 ( 7.041 0.138 0.723) 7.079 5.918 ( -0.563 -12.139 0.050) 12.152 6.211 ( -1.670 -2.149 -1.037) 2.913 6.902 ( -8.298 6.043 2.283) 10.516 7.025 ( 0.672 0.434 -0.142) 0.812 7.665 ( 8.483 1.248 -0.079) 8.574 7.952 ( 1.922 1.290 0.027) 2.315 8.391 ( -2.211 7.945 0.060) 8.248 8.759 ( -5.848 -8.146 1.996) 10.224 8.953 ( 0.669 -1.612 3.873) 4.248 9.337 ( 0.480 -4.508 -2.069) 4.984 9.944 ( 0.701 -0.135 -2.048) 2.169 10.468 ( 0.239 2.481 0.714) 2.593 12.114 ( 4.241 7.000 -0.640) 8.209 12.637 ( -3.333 -0.237 -4.691) 5.760 14.700 ( -1.515 2.544 -0.134) 2.964 14.940 ( 1.052 3.759 0.454) 3.930 16.076 ( 1.214 6.145 -0.379) 6.275 16.275 ( 1.544 -0.065 -0.947) 1.812 21.187 ( 0.326 -0.887 0.160) 0.959 21.222 ( -0.106 2.682 -0.090) 2.686======================= Grid point 239 (104/322) =======================q-point: (-0.08 0.31 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.190 ( -0.037 -12.873 4.142) 13.523 2.434 ( 1.520 6.234 1.283) 6.544 2.556 ( -0.394 -4.010 3.107) 5.087 3.069 ( 1.026 3.889 1.832) 4.420 3.410 ( 0.998 5.737 0.650) 5.859 3.489 ( -1.241 2.539 -2.959) 4.092 3.664 ( -3.999 7.612 -2.658) 9.000 3.794 ( -6.413 2.832 -2.030) 7.299 3.973 ( 3.188 8.339 -0.415) 8.938 4.102 ( 4.849 -2.260 -0.050) 5.350 4.264 ( 2.720 2.522 1.693) 4.077 4.409 ( -0.270 1.265 -1.268) 1.812 4.633 ( 5.057 -5.401 5.373) 9.144 4.947 ( 2.971 8.600 -0.444) 9.109 5.356 ( -8.543 0.355 -0.415) 8.560 5.638 ( 4.962 2.974 0.256) 5.791 6.149 ( -8.449 -12.383 0.491) 14.999 6.260 ( -2.145 -3.310 -0.471) 3.972 6.739 ( -1.323 5.269 2.874) 6.146 6.990 ( -0.332 4.200 -1.337) 4.420 7.672 ( -0.752 6.396 -0.657) 6.473 7.862 ( 9.762 7.227 0.253) 12.148 8.317 ( -1.449 -2.428 -0.685) 2.909 8.866 ( -5.273 -6.881 0.427) 8.679 9.037 ( 0.303 -5.404 3.601) 6.501 9.456 ( -0.377 -6.785 -1.170) 6.896 9.982 ( 1.406 -4.600 -2.684) 5.508 10.399 ( 0.300 3.630 1.504) 3.940 11.927 ( 3.733 14.098 0.127) 14.584 12.481 ( -6.062 12.427 -4.736) 14.616 14.642 ( -0.564 2.449 -1.696) 3.032 14.890 ( 4.625 3.045 1.910) 5.857 15.980 ( 2.875 4.616 0.099) 5.439 16.282 ( 2.810 0.307 -0.539) 2.878 21.099 ( -0.130 9.200 -0.104) 9.202 21.253 ( 0.476 -4.496 -0.182) 4.525======================= Grid point 245 (105/322) =======================q-point: ( 0.38 0.38 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.502 ( 14.917 -0.000 12.176) 19.256 1.838 ( 22.652 -0.000 4.863) 23.168 2.172 ( -20.730 0.000 5.113) 21.351 2.458 ( -11.251 0.000 -2.731) 11.577 2.724 ( -0.865 0.000 -4.605) 4.685 2.779 ( -0.307 0.000 -0.469) 0.561 2.904 ( 18.569 -0.000 -6.160) 19.564 3.289 ( -3.953 0.000 5.752) 6.979 3.453 ( 7.875 -0.000 2.903) 8.393 3.848 ( -3.696 0.000 4.117) 5.532 3.912 ( 1.308 -0.000 -1.625) 2.087 3.942 ( 25.466 -0.000 5.559) 26.066 4.133 ( 1.186 -0.000 0.359) 1.239 4.382 ( -3.032 0.000 0.285) 3.046 4.600 ( -7.695 0.000 -3.849) 8.604 4.962 ( -16.237 0.000 -3.592) 16.629 5.350 ( -0.678 0.000 6.013) 6.051 5.364 ( -13.221 0.000 -4.692) 14.029 6.462 ( -0.895 0.000 10.693) 10.731 7.332 ( -4.932 0.000 0.647) 4.974 7.850 ( -0.713 0.000 6.100) 6.141 8.341 ( 1.098 -0.000 0.323) 1.145 8.917 ( 3.138 -0.000 0.049) 3.139 9.084 ( -1.079 0.000 -5.318) 5.426 9.772 ( 0.301 -0.000 0.066) 0.308 10.052 ( 8.683 -0.000 1.439) 8.801 10.349 ( -8.617 0.000 0.301) 8.623 10.567 ( 3.078 -0.000 -0.913) 3.210 10.652 ( -0.288 0.000 -0.407) 0.498 11.313 ( -7.700 0.000 -0.926) 7.756 14.927 ( 9.800 -0.000 2.332) 10.074 15.600 ( -2.193 0.000 -1.286) 2.542 16.831 ( 9.862 -0.000 -1.716) 10.011 17.463 ( 1.249 -0.000 -16.585) 16.632 19.458 ( -0.071 0.000 0.114) 0.135 19.682 ( -0.026 0.000 -0.083) 0.087======================= Grid point 246 (106/322) =======================q-point: ( 0.46 0.38 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.668 ( 14.067 -5.773 9.772) 18.075 2.084 ( -7.390 -6.758 4.579) 11.011 2.149 ( 7.066 -10.813 4.530) 13.689 2.441 ( -13.223 -6.648 -2.199) 14.962 2.788 ( -0.976 -7.005 -2.523) 7.510 2.881 ( 1.688 -8.514 -0.486) 8.693 3.044 ( 11.862 -5.544 -3.849) 13.648 3.370 ( -2.155 -5.041 2.883) 6.194 3.581 ( 8.479 -8.726 0.602) 12.182 3.884 ( -5.896 -6.260 3.863) 9.427 4.109 ( 5.949 -10.597 0.122) 12.153 4.178 ( 10.966 -12.097 3.430) 16.684 4.254 ( 3.909 -11.665 3.398) 12.763 4.437 ( -2.213 -12.507 -1.129) 12.751 4.549 ( -4.499 0.828 -4.128) 6.162 4.869 ( -13.409 -0.832 -3.606) 13.910 5.291 ( -11.546 -1.357 -4.830) 12.589 5.348 ( 0.251 0.512 5.616) 5.644 6.391 ( -1.057 8.479 10.477) 13.520 7.195 ( -3.232 10.452 0.752) 10.966 7.873 ( 0.770 -1.469 5.768) 6.002 8.189 ( -0.042 13.534 0.172) 13.536 8.977 ( -0.870 2.749 -7.388) 7.930 9.091 ( 1.641 -6.839 1.275) 7.148 9.798 ( 2.213 -0.182 0.634) 2.310 10.048 ( 1.592 6.753 1.991) 7.218 10.267 ( -0.607 -0.836 -0.823) 1.321 10.557 ( 0.645 2.234 -0.138) 2.329 10.781 ( -0.272 -11.594 -0.238) 11.599 11.205 ( -6.597 6.168 -1.589) 9.170 14.944 ( 7.412 3.723 3.262) 8.913 15.535 ( -0.813 4.957 -1.043) 5.131 16.799 ( 5.780 7.100 -2.458) 9.480 17.005 ( 5.376 33.601 -7.009) 34.743 19.624 ( -0.354 -15.905 0.868) 15.933 20.141 ( -1.844 -35.684 -4.048) 35.960======================= Grid point 247 (107/322) =======================q-point: ( 0.54 0.38 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.869 ( 7.262 -5.423 7.531) 11.784 2.160 ( -11.039 -9.458 5.178) 15.431 2.407 ( 3.557 -7.468 2.473) 8.634 2.610 ( -0.621 -13.899 -0.376) 13.918 2.960 ( -1.284 -10.894 -1.698) 11.100 3.072 ( 1.513 -9.384 2.292) 9.777 3.245 ( 7.784 -9.561 -2.611) 12.602 3.412 ( -0.105 -0.564 0.007) 0.573 3.807 ( 7.114 -8.721 0.317) 11.259 3.954 ( -6.757 -2.825 3.952) 8.322 4.231 ( -0.260 -1.732 -0.586) 1.847 4.482 ( -0.750 0.498 -3.156) 3.282 4.509 ( 6.993 -12.416 1.956) 14.384 4.566 ( -7.912 -15.226 -2.352) 17.320 4.770 ( -2.983 -8.475 0.596) 9.005 5.061 ( 4.338 -24.493 -0.320) 24.876 5.364 ( -10.898 -19.564 -4.176) 22.781 5.416 ( 2.939 -11.155 3.379) 12.021 6.163 ( -1.651 14.574 7.410) 16.432 6.948 ( -0.545 12.624 1.293) 12.701 7.872 ( 4.252 14.172 0.898) 14.823 7.956 ( -4.604 -2.706 3.912) 6.620 8.790 ( -0.973 12.428 -9.259) 15.529 9.266 ( 1.423 -5.990 3.758) 7.213 9.747 ( 6.552 8.633 0.489) 10.849 9.819 ( -4.328 12.570 1.261) 13.354 10.434 ( 2.047 -11.016 -0.722) 11.228 10.480 ( 0.143 5.308 0.208) 5.314 11.032 ( -5.326 3.111 -1.088) 6.264 11.075 ( -0.066 -16.128 0.191) 16.129 14.895 ( 4.280 4.662 3.422) 7.195 15.417 ( 0.295 6.289 -1.097) 6.391 16.467 ( 2.967 21.326 -1.820) 21.609 16.655 ( 1.753 8.407 -2.178) 8.860 20.021 ( -0.516 -23.178 1.601) 23.239 20.765 ( 0.450 -26.650 -4.444) 27.022======================= Grid point 248 (108/322) =======================q-point: (-0.38 -0.62 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.943 ( -2.023 1.022 7.079) 7.433 2.321 ( -0.591 -8.029 5.763) 9.901 2.560 ( -2.729 -8.068 1.716) 8.688 2.851 ( 2.581 -8.954 1.509) 9.440 3.166 ( -1.621 -10.738 -1.828) 11.012 3.267 ( 1.338 -9.124 3.009) 9.700 3.426 ( 2.410 -1.388 -0.952) 2.940 3.481 ( 5.912 -9.990 -1.933) 11.768 3.911 ( -3.827 2.081 5.380) 6.923 4.029 ( 0.431 -9.615 -0.352) 9.631 4.261 ( -0.512 -1.946 -1.052) 2.271 4.424 ( 2.254 3.957 -2.301) 5.102 4.660 ( 1.102 1.163 -1.091) 1.939 4.700 ( -20.222 -12.497 -8.655) 25.299 4.983 ( 15.108 -9.741 4.814) 18.609 5.280 ( -2.025 -4.883 -0.490) 5.309 5.807 ( -1.963 8.515 3.864) 9.555 5.901 ( 0.697 -30.902 -0.981) 30.926 6.128 ( 2.055 -36.810 0.485) 36.870 6.727 ( 0.738 9.567 0.877) 9.635 7.598 ( -2.650 11.971 0.973) 12.300 8.058 ( -0.506 -6.329 3.276) 7.144 8.493 ( 1.345 15.647 -7.551) 17.426 9.279 ( -0.654 6.289 4.261) 7.624 9.502 ( 2.241 14.815 3.678) 15.428 9.649 ( 0.208 5.974 -1.848) 6.257 10.343 ( 0.500 7.531 -2.503) 7.952 10.489 ( -0.607 7.574 0.793) 7.640 11.180 ( -1.371 -22.085 0.054) 22.128 11.436 ( 0.687 -18.704 0.015) 18.716 14.845 ( 1.717 2.564 3.397) 4.589 15.296 ( -1.090 5.700 -1.477) 5.988 16.202 ( -0.386 7.080 -0.562) 7.113 16.513 ( -0.074 6.035 -1.902) 6.328 20.473 ( -0.327 -22.030 1.519) 22.085 21.143 ( 1.690 -12.196 -3.154) 12.710======================= Grid point 249 (109/322) =======================q-point: (-0.31 -0.62 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.814 ( -4.478 11.588 7.722) 14.627 2.438 ( 1.180 -2.227 6.561) 7.028 2.681 ( -2.638 -5.085 1.077) 5.829 2.999 ( 0.187 -5.606 2.364) 6.087 3.334 ( -2.600 -7.713 -1.851) 8.347 3.445 ( 3.705 -6.816 1.173) 7.846 3.487 ( 0.758 -3.880 0.832) 4.040 3.692 ( 2.328 -8.863 -1.503) 9.286 3.859 ( -1.126 1.021 4.174) 4.442 4.194 ( 0.210 -5.247 -0.844) 5.319 4.278 ( -4.028 -1.833 -1.272) 4.605 4.373 ( 6.293 2.617 -0.838) 6.867 4.586 ( -1.167 4.600 -1.107) 4.873 4.845 ( -9.094 -11.911 -7.170) 16.612 5.270 ( 11.754 -9.658 1.356) 15.273 5.353 ( -3.828 -4.517 -1.497) 6.107 5.604 ( 1.352 6.902 2.137) 7.350 6.314 ( -0.559 -4.685 -0.681) 4.767 6.689 ( 0.648 -9.232 -0.164) 9.257 6.877 ( 2.063 -31.456 -0.092) 31.524 7.404 ( -5.607 4.339 2.061) 7.383 8.139 ( 4.778 6.234 -1.165) 7.941 8.255 ( -0.950 0.729 -0.858) 1.473 9.071 ( -3.855 11.829 1.611) 12.545 9.276 ( 3.326 11.201 5.964) 13.119 9.527 ( -0.843 6.436 -1.627) 6.692 10.169 ( 1.651 10.472 -4.525) 11.527 10.352 ( -1.132 2.612 2.845) 4.025 11.687 ( -0.795 -27.027 -0.968) 27.056 11.789 ( 3.216 -15.992 -0.377) 16.317 14.820 ( -0.250 1.319 3.341) 3.601 15.179 ( -2.871 4.660 -1.903) 5.795 16.144 ( -2.470 -0.913 -0.626) 2.706 16.409 ( 0.013 4.443 -1.837) 4.808 20.853 ( -0.029 -16.259 0.896) 16.284 21.275 ( 0.863 -1.846 -1.839) 2.745======================= Grid point 250 (110/322) =======================q-point: (-0.23 -0.62 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.484 ( -5.166 19.247 7.804) 21.402 2.446 ( -0.098 2.094 6.815) 7.130 2.716 ( -1.471 0.476 0.354) 1.586 3.093 ( -0.261 -3.660 3.125) 4.820 3.432 ( -2.890 -4.373 -0.913) 5.321 3.542 ( 1.891 -2.318 0.283) 3.005 3.604 ( -0.597 -6.585 0.829) 6.664 3.814 ( -4.271 -3.871 1.591) 5.980 3.913 ( 6.959 -4.249 -0.193) 8.155 4.174 ( -2.784 2.817 -1.087) 4.107 4.348 ( 1.836 -3.646 -2.527) 4.801 4.385 ( 4.626 0.317 1.692) 4.936 4.494 ( -1.655 3.215 -0.909) 3.728 5.002 ( -0.432 -7.238 -5.196) 8.920 5.385 ( -7.327 -2.752 -2.047) 8.090 5.476 ( 7.205 -5.761 -0.144) 9.226 5.617 ( 5.876 -4.490 0.907) 7.451 6.259 ( -1.259 4.324 -1.013) 4.616 6.886 ( -0.461 -6.270 -0.250) 6.292 7.123 ( -6.806 1.284 1.478) 7.082 7.553 ( -0.239 -16.329 0.174) 16.331 7.975 ( 10.024 9.206 -1.226) 13.665 8.370 ( -4.471 -9.334 2.671) 10.689 8.822 ( -3.794 11.545 1.502) 12.245 9.108 ( 1.946 8.531 5.320) 10.241 9.395 ( -0.314 5.889 -2.451) 6.387 10.000 ( 0.691 5.693 -2.942) 6.446 10.382 ( 0.488 -4.150 1.614) 4.480 12.046 ( 1.099 -10.892 -0.813) 10.978 12.187 ( 2.596 -20.604 -2.352) 20.900 14.790 ( -1.611 1.778 2.958) 3.809 15.078 ( -3.224 3.579 -1.948) 5.196 16.168 ( -3.977 -2.681 -0.838) 4.869 16.328 ( 1.615 4.011 -1.752) 4.665 21.103 ( 0.110 -9.181 0.125) 9.182 21.257 ( -0.230 2.635 -0.637) 2.720======================= Grid point 251 (111/322) =======================q-point: (-0.15 -0.62 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.107 ( -5.044 14.714 7.422) 17.235 2.414 ( -0.893 1.002 6.317) 6.458 2.663 ( -0.066 3.760 0.066) 3.761 3.143 ( 0.313 -0.792 3.071) 3.187 3.477 ( -2.991 -1.938 0.411) 3.588 3.571 ( 0.840 0.238 0.089) 0.877 3.714 ( -2.312 -5.250 -1.001) 5.824 3.830 ( -3.436 0.260 0.948) 3.574 4.031 ( 4.931 -3.330 -0.866) 6.013 4.116 ( -0.351 1.636 -0.809) 1.858 4.372 ( 5.265 3.668 -0.357) 6.427 4.400 ( -0.626 -1.192 -1.184) 1.793 4.483 ( 1.302 -2.391 1.861) 3.298 5.092 ( 2.475 -1.890 -3.273) 4.517 5.378 ( -7.111 -0.996 -1.816) 7.407 5.619 ( 5.191 -5.116 -0.280) 7.294 5.756 ( 4.590 -5.660 0.137) 7.288 6.189 ( -1.562 1.374 -0.929) 2.278 6.915 ( -6.275 0.748 0.870) 6.379 7.049 ( -2.616 1.790 1.068) 3.345 7.724 ( 1.855 -1.126 -1.611) 2.703 7.956 ( 7.961 -1.033 0.940) 8.083 8.535 ( -7.996 -6.519 3.050) 10.758 8.589 ( 0.353 7.677 1.677) 7.866 8.991 ( 0.516 4.412 4.255) 6.151 9.308 ( 0.384 1.870 -3.009) 3.564 9.947 ( 0.525 0.571 -2.132) 2.268 10.468 ( 0.610 -2.840 0.898) 3.041 12.189 ( 3.742 -2.215 -1.147) 4.497 12.503 ( -0.761 -10.889 -3.592) 11.491 14.741 ( -1.945 2.446 1.704) 3.559 14.999 ( -1.784 2.617 -1.068) 3.343 16.164 ( -2.428 1.663 -0.684) 3.021 16.283 ( 2.335 1.051 -1.501) 2.969 21.194 ( -0.326 0.997 -0.284) 1.087 21.227 ( 0.054 -1.797 0.154) 1.804======================= Grid point 252 (112/322) =======================q-point: (-0.08 0.38 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.988 ( -1.763 -4.788 5.904) 7.803 2.430 ( -2.078 -2.225 5.323) 6.132 2.595 ( 2.883 3.495 0.214) 4.536 3.138 ( 1.040 1.972 2.270) 3.182 3.467 ( -4.031 1.044 1.129) 4.314 3.549 ( 2.740 2.863 -0.647) 4.016 3.750 ( -5.985 1.512 -3.586) 7.139 3.776 ( -1.699 1.425 0.901) 2.394 4.083 ( 1.903 0.899 -1.085) 2.368 4.099 ( 2.659 0.251 0.167) 2.676 4.330 ( 3.519 2.677 0.271) 4.430 4.411 ( -0.295 -0.506 -1.758) 1.853 4.568 ( 2.812 -4.177 3.541) 6.155 5.091 ( 3.207 3.292 -1.466) 4.824 5.333 ( -5.464 1.438 -1.286) 5.794 5.700 ( 3.979 0.015 0.432) 4.002 5.902 ( -2.491 -8.525 -0.100) 8.882 6.188 ( -1.604 -2.133 -0.685) 2.756 6.821 ( -5.675 4.025 2.215) 7.302 7.029 ( 0.251 0.715 -0.418) 0.866 7.735 ( 2.888 0.567 -0.717) 3.029 8.000 ( 5.655 1.521 -0.127) 5.858 8.366 ( -1.533 8.245 0.758) 8.420 8.699 ( -5.258 -7.617 2.492) 9.586 8.970 ( 0.135 -1.530 3.534) 3.853 9.335 ( 0.271 -4.592 -1.815) 4.945 9.945 ( 0.606 -0.304 -2.144) 2.248 10.474 ( 0.330 2.575 0.818) 2.722 12.165 ( 4.490 6.952 -1.239) 8.368 12.575 ( -4.382 1.448 -4.245) 6.270 14.684 ( -0.903 2.441 -0.014) 2.602 14.955 ( 1.430 1.596 0.388) 2.178 16.092 ( 1.756 4.613 -0.297) 4.945 16.293 ( 1.806 -0.491 -1.081) 2.161 21.192 ( 0.367 -1.288 0.201) 1.354 21.221 ( -0.040 2.791 -0.128) 2.794======================= Grid point 259 (113/322) =======================q-point: ( 0.46 0.46 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.708 ( 13.199 -0.000 9.086) 16.024 1.942 ( -19.965 0.000 5.696) 20.761 2.079 ( 13.315 -0.000 2.649) 13.576 2.295 ( -11.733 0.000 -0.582) 11.747 2.712 ( 0.227 -0.000 -2.982) 2.991 2.790 ( 2.879 -0.000 -2.951) 4.123 3.055 ( 10.267 -0.000 -1.197) 10.336 3.265 ( -3.274 0.000 6.267) 7.071 3.561 ( 8.967 -0.000 -0.477) 8.979 3.793 ( -8.097 0.000 4.301) 9.168 3.918 ( 0.525 -0.000 -1.906) 1.977 4.133 ( 2.878 -0.000 4.456) 5.304 4.167 ( 1.494 -0.000 -2.792) 3.166 4.347 ( -4.150 0.000 0.086) 4.151 4.545 ( 0.293 -0.000 -4.049) 4.059 4.822 ( -0.103 0.000 0.561) 0.571 5.219 ( -8.836 0.000 -4.402) 9.872 5.371 ( 0.973 -0.000 5.023) 5.116 6.493 ( -0.282 0.000 12.838) 12.841 7.296 ( -1.600 0.000 0.892) 1.833 7.860 ( -1.088 0.000 6.236) 6.330 8.353 ( 0.689 -0.000 0.403) 0.798 8.941 ( 0.982 -0.000 -0.023) 0.982 9.061 ( 0.121 -0.000 -5.604) 5.606 9.772 ( -0.211 0.000 -0.281) 0.352 10.142 ( 5.545 -0.000 1.466) 5.735 10.264 ( -5.625 0.000 0.104) 5.626 10.593 ( 1.489 -0.000 -0.559) 1.590 10.651 ( 0.166 -0.000 -0.190) 0.252 11.234 ( -4.336 0.000 -3.034) 5.292 15.029 ( 5.175 -0.000 4.907) 7.132 15.578 ( -0.599 0.000 -0.806) 1.005 16.898 ( 2.486 -0.000 -4.213) 4.892 17.458 ( 6.106 -0.000 -10.133) 11.831 19.457 ( -0.044 0.000 0.116) 0.124 19.681 ( 0.010 -0.000 -0.078) 0.078======================= Grid point 260 (114/322) =======================q-point: (-0.46 -0.54 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.787 ( -9.231 -4.297 7.107) 12.417 1.956 ( 2.770 -6.949 6.135) 9.675 2.249 ( -18.024 -10.626 -1.283) 20.962 2.354 ( 16.812 -9.355 2.961) 19.466 2.777 ( 0.027 -6.662 -1.848) 6.913 2.906 ( 2.721 -8.486 -0.877) 8.954 3.144 ( 6.592 -4.223 0.352) 7.837 3.361 ( -0.841 -6.098 3.184) 6.931 3.678 ( 7.451 -7.604 -1.832) 10.803 3.807 ( -10.674 -7.597 5.756) 14.310 4.101 ( -2.620 -10.680 -3.367) 11.501 4.223 ( -15.337 -11.181 -3.161) 19.241 4.242 ( -1.451 -8.739 3.484) 9.519 4.411 ( 0.660 -14.250 -2.509) 14.485 4.542 ( 5.472 0.219 -2.010) 5.834 4.870 ( 14.048 -1.183 3.462) 14.517 5.174 ( -6.043 -1.165 -4.467) 7.605 5.375 ( 2.105 0.512 3.658) 4.252 6.417 ( -0.595 9.495 12.264) 15.522 7.184 ( 0.870 9.979 1.445) 10.120 7.886 ( -1.859 -2.168 5.715) 6.389 8.188 ( -0.010 14.519 -0.065) 14.520 8.945 ( -0.302 4.699 -8.268) 9.515 9.111 ( 0.910 -8.411 1.377) 8.572 9.823 ( 1.710 -2.515 1.443) 3.366 10.057 ( -0.991 10.235 2.092) 10.494 10.265 ( 0.422 -4.071 -1.075) 4.232 10.558 ( -0.339 2.863 -0.022) 2.883 10.784 ( 0.763 -11.471 0.133) 11.497 11.144 ( -2.292 6.348 -3.485) 7.596 15.014 ( 1.992 4.154 5.266) 6.996 15.527 ( 0.239 4.723 -0.889) 4.812 16.811 ( -1.609 7.582 -4.277) 8.852 17.048 ( 4.835 33.353 -4.764) 34.037 19.623 ( -0.246 -15.871 0.826) 15.894 20.136 ( 2.765 -35.357 -2.739) 35.570======================= Grid point 261 (115/322) =======================q-point: (-0.38 -0.54 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.837 ( -15.254 -7.060 6.383) 17.980 2.176 ( 9.527 -8.987 5.778) 14.315 2.351 ( -11.298 -10.016 0.205) 15.100 2.677 ( 9.060 -11.934 2.143) 15.136 2.948 ( 0.060 -10.403 -1.626) 10.530 3.095 ( 1.185 -9.195 2.774) 9.678 3.301 ( 2.534 -8.804 -0.686) 9.187 3.433 ( 3.447 -1.347 0.867) 3.801 3.835 ( -5.996 -7.704 2.284) 10.025 3.927 ( 2.335 -3.654 3.013) 5.280 4.209 ( -1.246 -3.425 -2.165) 4.239 4.274 ( -27.025 -12.668 -7.820) 30.854 4.505 ( 3.540 1.732 -2.313) 4.569 4.561 ( 0.223 -15.137 1.505) 15.214 4.890 ( 14.382 -13.235 2.074) 19.655 5.144 ( 7.139 -13.729 2.491) 15.673 5.252 ( -5.398 -21.728 -3.970) 22.737 5.485 ( 7.987 -14.569 1.232) 16.660 6.176 ( -0.303 15.316 8.583) 17.559 6.970 ( 3.309 12.738 2.043) 13.318 7.832 ( -8.272 12.326 0.025) 14.844 7.975 ( 2.723 -0.347 3.901) 4.770 8.761 ( 1.128 11.734 -9.928) 15.412 9.291 ( 0.608 -6.310 4.183) 7.595 9.769 ( -3.809 10.888 2.390) 11.780 9.826 ( 5.577 10.804 0.497) 12.168 10.414 ( -3.720 -4.877 -1.348) 6.280 10.508 ( 3.175 -1.588 1.452) 3.835 10.986 ( -1.442 3.527 -3.132) 4.932 11.085 ( 1.381 -16.439 0.579) 16.507 14.930 ( -0.483 4.956 4.932) 7.009 15.406 ( -1.611 6.737 -1.686) 7.129 16.466 ( -2.207 21.696 -1.828) 21.884 16.644 ( -2.235 8.337 -2.665) 9.033 20.020 ( -0.379 -23.211 1.579) 23.268 20.789 ( 5.800 -26.043 -3.656) 26.930======================= Grid point 262 (116/322) =======================q-point: (-0.31 -0.54 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.869 ( -12.839 -2.213 6.980) 14.781 2.386 ( 6.300 -5.902 5.966) 10.493 2.502 ( -7.097 -10.247 0.731) 12.486 2.893 ( 3.336 -6.360 2.837) 7.722 3.152 ( 0.192 -10.067 -1.953) 10.257 3.285 ( 0.131 -9.192 2.855) 9.626 3.466 ( 4.469 -2.992 -0.523) 5.403 3.509 ( -0.379 -8.083 0.279) 8.097 3.877 ( -4.300 -0.341 4.621) 6.321 4.057 ( 3.359 -7.820 -0.440) 8.522 4.234 ( -2.289 -1.322 -0.301) 2.661 4.403 ( -18.377 -10.335 -6.712) 22.126 4.501 ( 4.110 -3.534 -2.008) 5.781 4.674 ( 2.063 1.365 -2.354) 3.415 5.171 ( 14.182 -8.485 1.926) 16.638 5.244 ( -3.085 -4.185 -1.790) 5.499 5.820 ( 2.210 2.393 3.126) 4.515 5.905 ( 0.761 -23.579 1.056) 23.615 6.190 ( 7.613 -36.180 0.693) 36.979 6.751 ( 2.951 10.856 0.752) 11.275 7.532 ( -8.359 11.517 0.690) 14.247 8.059 ( -1.474 -5.739 3.094) 6.685 8.499 ( 3.610 14.216 -8.214) 16.811 9.290 ( 0.126 8.895 5.497) 10.458 9.507 ( -3.442 10.563 3.606) 11.680 9.664 ( 3.293 8.957 -1.546) 9.668 10.337 ( -0.208 5.811 -2.693) 6.408 10.488 ( 0.150 9.307 0.856) 9.348 11.174 ( 0.440 -22.759 -0.382) 22.766 11.456 ( 2.531 -19.135 0.207) 19.303 14.854 ( -2.231 2.602 4.521) 5.674 15.255 ( -5.071 6.010 -2.514) 8.255 16.173 ( -4.149 6.914 -0.582) 8.084 16.494 ( -2.014 5.376 -1.996) 6.078 20.475 ( -0.247 -22.091 1.583) 22.149 21.170 ( 4.503 -10.738 -3.068) 12.041======================= Grid point 263 (117/322) =======================q-point: (-0.23 -0.54 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.752 ( -9.780 9.258 7.901) 15.614 2.481 ( 1.649 -0.552 6.375) 6.607 2.641 ( -4.607 -6.540 0.627) 8.024 3.008 ( 0.498 -4.642 2.838) 5.463 3.319 ( 0.800 -6.734 -1.013) 6.856 3.451 ( -3.185 -7.649 1.372) 8.399 3.525 ( 4.924 -1.827 0.793) 5.312 3.676 ( -2.610 -8.287 0.315) 8.694 3.883 ( 1.013 -1.594 2.273) 2.956 4.221 ( 4.894 -1.151 0.457) 5.048 4.232 ( -3.448 -4.213 -1.576) 5.667 4.396 ( -3.550 -0.815 -2.127) 4.218 4.589 ( 3.903 4.866 -0.667) 6.274 4.749 ( -3.708 -14.747 -5.955) 16.331 5.284 ( -5.402 -3.215 -3.862) 7.378 5.413 ( 10.882 -7.177 1.304) 13.101 5.661 ( 7.276 6.290 2.427) 9.919 6.303 ( -0.732 -4.286 -0.439) 4.370 6.700 ( 1.167 -8.373 -0.272) 8.458 6.915 ( 4.192 -26.800 -0.162) 27.126 7.327 ( -7.833 1.709 2.292) 8.338 8.165 ( -2.400 -4.088 1.537) 4.983 8.259 ( 3.999 9.497 -4.933) 11.424 9.046 ( -1.617 13.235 3.923) 13.899 9.313 ( -0.392 10.014 5.771) 11.565 9.516 ( 0.493 7.092 -2.270) 7.463 10.171 ( 1.086 10.803 -4.883) 11.905 10.356 ( 0.019 1.850 3.123) 3.630 11.665 ( -2.145 -24.570 -1.031) 24.685 11.849 ( 6.980 -18.395 -0.278) 19.677 14.811 ( -2.979 1.224 4.221) 5.309 15.117 ( -6.561 3.958 -3.031) 8.240 16.099 ( -4.528 -0.857 -0.361) 4.622 16.398 ( -1.145 3.462 -1.919) 4.121 20.855 ( -0.052 -16.256 1.001) 16.286 21.284 ( 1.660 -0.648 -1.982) 2.665======================= Grid point 264 (118/322) =======================q-point: (-0.15 -0.54 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.434 ( -7.419 18.079 8.205) 21.195 2.466 ( -0.158 2.739 6.369) 6.935 2.691 ( -3.392 -0.904 0.568) 3.556 3.097 ( -0.085 -3.782 2.436) 4.499 3.419 ( 0.085 -3.175 1.450) 3.492 3.538 ( -2.576 -3.776 0.544) 4.603 3.613 ( 2.395 -4.078 -0.730) 4.785 3.783 ( -2.020 -3.943 2.180) 4.938 3.965 ( 2.544 -4.915 -0.564) 5.563 4.161 ( -0.046 3.549 -0.580) 3.596 4.338 ( -1.142 -3.957 -2.711) 4.931 4.435 ( 1.127 -3.387 1.211) 3.770 4.500 ( 3.709 5.687 -1.279) 6.909 4.985 ( -0.270 -9.863 -4.460) 10.828 5.293 ( -6.326 -2.537 -1.945) 7.088 5.571 ( 8.869 -3.422 -0.680) 9.530 5.698 ( 7.435 -3.472 0.194) 8.209 6.243 ( -0.737 4.522 -0.543) 4.613 6.869 ( -2.926 -4.008 0.262) 4.969 7.052 ( -5.267 0.798 1.539) 5.545 7.562 ( 1.718 -15.574 0.066) 15.668 8.067 ( 5.882 7.127 -3.380) 9.840 8.312 ( -6.470 -8.933 2.640) 11.341 8.809 ( 0.530 11.371 4.066) 12.088 9.132 ( -0.737 8.689 5.119) 10.112 9.388 ( 0.843 5.803 -2.995) 6.585 9.996 ( 0.295 5.549 -3.060) 6.344 10.395 ( 0.799 -4.023 1.805) 4.481 12.032 ( -2.599 -14.593 -2.003) 14.957 12.242 ( 7.646 -16.081 -1.324) 17.856 14.773 ( -2.787 1.719 3.457) 4.761 15.020 ( -5.404 1.956 -2.686) 6.343 16.116 ( -4.399 -2.854 -0.420) 5.260 16.334 ( 0.186 2.560 -1.914) 3.202 21.104 ( 0.042 -9.070 0.161) 9.072 21.253 ( -0.217 2.932 -0.690) 3.019======================= Grid point 265 (119/322) =======================q-point: (-0.08 -0.54 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.074 ( -4.535 13.363 8.179) 16.311 2.424 ( -0.870 1.602 6.136) 6.401 2.661 ( -0.708 1.955 0.505) 2.139 3.152 ( 0.148 -1.277 1.872) 2.271 3.449 ( -2.932 -0.603 2.482) 3.889 3.583 ( 1.122 -0.952 0.363) 1.516 3.688 ( -0.180 -2.922 -2.362) 3.762 3.813 ( -0.651 0.617 2.137) 2.317 4.065 ( 2.086 -3.257 -0.990) 3.993 4.114 ( 0.108 0.828 -0.573) 1.012 4.379 ( -1.476 -1.949 -2.249) 3.322 4.414 ( 1.967 4.112 -1.049) 4.678 4.513 ( 1.180 -3.075 1.391) 3.575 5.102 ( 1.100 -2.875 -1.606) 3.472 5.312 ( -2.705 -1.798 -2.168) 3.905 5.674 ( 4.328 -3.228 -0.453) 5.418 5.803 ( 3.460 -3.293 -0.778) 4.839 6.176 ( -0.140 1.733 -0.219) 1.753 6.839 ( -6.366 1.511 1.771) 6.778 7.039 ( -0.075 0.135 0.343) 0.376 7.729 ( 0.378 -2.457 -1.428) 2.867 8.026 ( 3.012 0.139 -2.129) 3.691 8.457 ( -6.545 -6.974 4.168) 10.433 8.622 ( 3.838 8.367 3.592) 9.881 9.001 ( -1.108 4.308 3.981) 5.969 9.306 ( 0.892 1.930 -3.056) 3.723 9.945 ( 0.369 0.442 -2.214) 2.287 10.478 ( 0.424 -2.598 1.016) 2.821 12.208 ( -0.076 -4.524 -2.621) 5.229 12.504 ( 3.125 -6.885 -2.400) 7.932 14.724 ( -1.676 2.183 1.815) 3.297 14.972 ( -2.166 0.363 -1.199) 2.503 16.135 ( -2.150 -0.715 -0.465) 2.312 16.299 ( 1.069 0.914 -1.628) 2.151 21.189 ( -0.326 0.698 -0.281) 0.820 21.228 ( -0.015 -1.833 0.163) 1.841======================= Grid point 273 (120/322) =======================q-point: (-0.46 -0.46 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.641 ( -23.348 0.000 6.850) 24.332 1.970 ( 16.085 -0.000 6.701) 17.425 1.986 ( -20.979 0.000 -0.868) 20.997 2.366 ( 14.562 -0.000 1.885) 14.684 2.709 ( 0.589 -0.000 -1.211) 1.346 2.821 ( 4.119 -0.000 -4.019) 5.755 3.150 ( 5.984 -0.000 2.625) 6.534 3.254 ( -2.001 0.000 6.436) 6.740 3.618 ( -7.639 0.000 -0.686) 7.669 3.672 ( -9.600 0.000 1.937) 9.793 3.913 ( -0.269 0.000 -2.119) 2.136 4.003 ( -17.335 0.000 -5.010) 18.045 4.177 ( 0.161 -0.000 3.006) 3.010 4.315 ( 0.808 -0.000 -1.484) 1.690 4.586 ( 8.419 -0.000 -0.742) 8.452 4.968 ( 17.592 -0.000 2.412) 17.756 5.130 ( -4.478 0.000 -3.599) 5.746 5.410 ( 4.169 -0.000 3.024) 5.150 6.535 ( -0.156 0.000 15.478) 15.479 7.301 ( 1.915 -0.000 1.077) 2.197 7.864 ( -1.379 0.000 6.321) 6.470 8.359 ( -0.056 0.000 0.782) 0.784 8.939 ( -1.225 0.000 -0.086) 1.228 9.052 ( 1.781 -0.000 -6.824) 7.053 9.765 ( -0.719 0.000 -0.526) 0.891 10.154 ( -4.576 0.000 3.386) 5.693 10.257 ( 4.638 -0.000 -1.129) 4.774 10.599 ( -0.009 0.000 -0.064) 0.064 10.655 ( 0.612 -0.000 -0.037) 0.613 11.198 ( -0.030 0.000 -4.694) 4.694 15.069 ( -1.261 0.000 6.430) 6.552 15.585 ( 1.910 -0.000 -0.405) 1.953 16.863 ( -5.090 0.000 -5.065) 7.181 17.538 ( 11.575 -0.000 -8.391) 14.296 19.457 ( -0.014 0.000 0.117) 0.118 19.682 ( 0.050 -0.000 -0.073) 0.089======================= Grid point 274 (121/322) =======================q-point: (-0.38 -0.46 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.581 ( -22.927 -6.862 6.758) 24.867 2.011 ( -19.838 -12.828 -0.526) 23.630 2.130 ( 14.580 -5.246 5.800) 16.545 2.537 ( 12.844 -8.490 1.359) 15.456 2.779 ( 1.429 -6.409 -0.628) 6.597 2.935 ( 2.566 -8.104 -0.723) 8.531 3.201 ( 1.983 -2.613 2.106) 3.898 3.369 ( -0.034 -7.496 3.022) 8.083 3.612 ( -26.329 -10.902 3.128) 28.668 3.725 ( -0.378 -8.900 -3.811) 9.689 3.974 ( -11.441 -5.312 -2.440) 12.848 4.083 ( -2.857 -11.068 -2.248) 11.650 4.243 ( -0.769 -9.213 3.094) 9.749 4.424 ( 2.262 -11.803 -1.520) 12.113 4.661 ( 13.690 -3.907 1.405) 14.306 5.064 ( 12.993 -0.734 -2.714) 13.294 5.119 ( -0.944 -1.436 0.043) 1.719 5.437 ( 8.094 0.194 1.604) 8.254 6.455 ( -0.171 10.266 14.526) 17.788 7.222 ( 4.610 9.097 1.910) 10.375 7.870 ( -3.532 0.096 5.375) 6.432 8.186 ( -0.578 14.185 0.157) 14.198 8.920 ( 0.514 5.034 -8.882) 10.222 9.117 ( -0.603 -8.889 0.564) 8.927 9.852 ( 2.453 -4.692 2.731) 5.957 10.039 ( -3.325 8.682 2.452) 9.614 10.269 ( 1.086 -1.183 -1.009) 1.897 10.555 ( 0.016 2.547 0.428) 2.583 10.797 ( 1.331 -11.516 0.232) 11.595 11.126 ( 1.101 6.465 -5.098) 8.307 15.024 ( -3.202 3.980 6.495) 8.263 15.532 ( 0.659 6.132 -1.206) 6.284 16.752 ( -5.821 6.499 -3.741) 9.493 17.066 ( 0.244 38.023 -5.842) 38.470 19.623 ( -0.156 -15.865 0.848) 15.888 20.189 ( 7.944 -37.439 -2.724) 38.370======================= Grid point 275 (122/322) =======================q-point: (-0.31 -0.46 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.647 ( -19.307 -10.201 6.530) 22.792 2.179 ( -15.760 -14.092 0.111) 21.142 2.341 ( 12.446 -6.695 5.225) 15.068 2.787 ( 7.877 -8.793 2.089) 11.989 2.949 ( 0.856 -9.805 -0.710) 9.868 3.117 ( 1.115 -8.806 2.427) 9.203 3.297 ( -3.712 -8.031 -0.546) 8.864 3.485 ( 4.200 -3.092 1.646) 5.469 3.725 ( -14.571 -11.771 3.612) 19.077 3.909 ( -13.625 -13.723 -5.344) 20.063 3.996 ( -7.291 -2.669 -0.258) 7.768 4.214 ( 2.986 -3.625 -0.867) 4.776 4.507 ( -0.843 -8.050 -1.509) 8.233 4.612 ( 6.363 -8.046 1.419) 10.356 5.064 ( 14.953 -16.417 1.189) 22.238 5.144 ( -4.556 -4.558 -3.475) 7.322 5.264 ( 5.383 -20.549 -0.351) 21.245 5.614 ( 13.582 -16.832 0.040) 21.629 6.213 ( 1.655 15.395 10.656) 18.796 7.034 ( 6.310 13.450 2.118) 15.007 7.728 ( -9.142 12.213 0.268) 15.259 8.002 ( -0.174 1.631 3.140) 3.543 8.749 ( 2.005 10.708 -10.615) 15.210 9.301 ( -1.254 -7.634 3.567) 8.519 9.739 ( -3.085 14.508 4.890) 15.618 9.891 ( 5.445 8.989 -0.371) 10.516 10.359 ( -4.648 -4.225 -0.900) 6.345 10.553 ( 3.490 -2.954 2.498) 5.210 10.973 ( 1.025 2.707 -5.086) 5.852 11.108 ( 2.148 -16.059 0.824) 16.223 14.918 ( -4.196 4.926 5.814) 8.700 15.361 ( -5.423 8.799 -2.930) 10.744 16.403 ( -7.562 21.500 -1.885) 22.869 16.592 ( -5.003 6.891 -2.482) 8.869 20.022 ( -0.281 -23.246 1.639) 23.306 20.875 ( 11.009 -24.174 -4.015) 26.865======================= Grid point 276 (123/322) =======================q-point: (-0.23 -0.46 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.723 ( -15.263 -5.306 6.933) 17.584 2.357 ( -12.536 -11.882 1.002) 17.302 2.521 ( 7.759 -4.255 4.724) 10.031 2.945 ( 3.610 -4.055 3.855) 6.658 3.155 ( 1.128 -10.389 -1.801) 10.605 3.283 ( -1.809 -7.722 1.780) 8.129 3.469 ( -3.298 -10.988 -0.634) 11.490 3.540 ( 5.382 -0.210 1.230) 5.525 3.844 ( -4.115 -3.523 5.720) 7.878 4.059 ( -5.255 -8.389 -1.997) 10.098 4.129 ( -14.026 -17.463 -5.677) 23.106 4.275 ( 2.617 -0.907 1.281) 3.052 4.558 ( 4.225 -1.683 -1.869) 4.917 4.709 ( 4.774 2.571 -1.636) 5.664 5.186 ( -2.704 -3.687 -4.677) 6.541 5.335 ( 11.175 -7.233 1.223) 13.368 5.859 ( 2.474 -19.446 0.569) 19.611 5.950 ( 6.138 -0.030 5.577) 8.293 6.298 ( 10.582 -35.439 0.019) 36.985 6.797 ( 4.706 12.816 0.213) 13.654 7.426 ( -9.779 11.291 1.128) 14.979 8.035 ( -4.321 -4.434 2.754) 6.776 8.515 ( 3.417 12.639 -9.246) 16.029 9.318 ( 1.210 10.031 6.576) 12.055 9.457 ( -6.465 8.022 3.022) 10.737 9.708 ( 4.565 11.349 -0.876) 12.264 10.322 ( -0.952 3.854 -2.880) 4.905 10.495 ( 0.343 10.458 1.019) 10.513 11.185 ( 1.564 -21.804 -0.465) 21.865 11.496 ( 4.233 -20.590 0.205) 21.021 14.826 ( -4.829 2.314 4.994) 7.322 15.157 ( -10.090 6.055 -3.669) 12.326 16.111 ( -5.881 5.849 -0.193) 8.297 16.455 ( -3.734 4.324 -1.798) 5.990 20.477 ( -0.220 -22.114 1.693) 22.180 21.226 ( 6.828 -7.907 -3.486) 11.013======================= Grid point 277 (124/322) =======================q-point: (-0.15 -0.46 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.650 ( -11.442 6.628 7.736) 15.320 2.475 ( -6.830 -4.940 3.058) 8.967 2.610 ( -0.059 -2.440 3.120) 3.961 3.035 ( 2.296 -3.349 3.285) 5.223 3.342 ( 3.030 -6.745 0.131) 7.396 3.398 ( -5.973 -6.695 0.142) 8.973 3.583 ( 3.988 -1.995 1.027) 4.576 3.658 ( -0.012 -8.092 -0.350) 8.100 3.889 ( -0.993 -3.355 3.800) 5.165 4.182 ( -4.432 -4.885 -1.824) 6.843 4.269 ( -1.520 0.054 -1.453) 2.103 4.335 ( 0.071 -7.284 -0.526) 7.303 4.627 ( 0.428 4.873 -4.304) 6.516 4.723 ( 2.010 -12.098 -1.345) 12.337 5.225 ( -1.660 -1.888 -3.081) 3.977 5.521 ( 6.886 -6.234 -0.279) 9.293 5.787 ( 13.028 6.222 2.221) 14.608 6.298 ( 0.096 -3.851 0.023) 3.852 6.711 ( 0.654 -6.833 -0.414) 6.877 6.968 ( 4.570 -17.046 0.092) 17.648 7.254 ( -5.314 -5.906 2.162) 8.234 8.106 ( -7.935 -5.252 1.940) 9.711 8.291 ( 3.979 10.140 -7.144) 13.026 9.060 ( 1.180 13.541 5.975) 14.847 9.302 ( -4.164 7.946 4.953) 10.248 9.530 ( 2.916 8.574 -2.049) 9.285 10.163 ( 0.300 10.875 -5.248) 12.079 10.367 ( -0.041 1.239 3.422) 3.640 11.634 ( -2.425 -22.172 -1.150) 22.334 11.942 ( 8.981 -20.318 -0.314) 22.217 14.783 ( -3.996 0.659 4.623) 6.146 15.010 ( -9.748 2.423 -3.959) 10.797 16.044 ( -4.804 -1.001 0.153) 4.910 16.369 ( -2.734 2.350 -1.852) 4.053 20.858 ( -0.115 -16.214 1.093) 16.251 21.300 ( 2.265 1.184 -2.206) 3.376======================= Grid point 278 (125/322) =======================q-point: (-0.08 -0.46 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.370 ( -7.777 16.099 8.221) 19.679 2.480 ( -0.770 2.125 5.277) 5.741 2.641 ( -5.260 -2.077 1.370) 5.818 3.114 ( 1.428 -2.901 2.166) 3.892 3.418 ( -2.277 -1.854 2.473) 3.839 3.516 ( -0.193 -6.039 -0.559) 6.068 3.648 ( 3.711 -2.096 -0.101) 4.263 3.780 ( 0.376 -4.207 1.338) 4.431 3.985 ( 0.939 -5.386 0.768) 5.521 4.154 ( -0.722 2.974 -0.527) 3.106 4.305 ( -3.396 -3.586 -1.889) 5.288 4.446 ( 0.844 -3.811 0.286) 3.914 4.516 ( -0.824 4.990 -4.120) 6.523 4.970 ( -0.304 -10.919 -2.254) 11.153 5.249 ( 0.195 -2.038 -0.630) 2.142 5.646 ( 3.349 -3.531 -1.221) 5.018 5.808 ( 12.502 0.935 -0.828) 12.564 6.241 ( 0.551 4.383 0.100) 4.418 6.818 ( -5.714 -1.010 1.536) 6.002 7.021 ( -1.145 -1.679 0.949) 2.243 7.591 ( 3.378 -13.856 -0.348) 14.266 8.066 ( -4.545 3.907 -4.143) 7.286 8.260 ( -2.564 -6.731 1.449) 7.347 8.856 ( 4.103 10.427 6.138) 12.776 9.124 ( -3.138 8.103 4.584) 9.825 9.396 ( 2.089 6.351 -3.007) 7.330 9.988 ( 0.001 5.190 -3.174) 6.084 10.408 ( 0.220 -3.850 1.931) 4.312 11.983 ( -4.150 -15.466 -2.609) 16.224 12.342 ( 9.716 -13.890 -1.096) 16.986 14.752 ( -2.510 1.395 3.542) 4.560 14.940 ( -6.369 -0.644 -3.031) 7.083 16.065 ( -4.192 -3.356 -0.055) 5.370 16.320 ( -1.387 1.234 -1.856) 2.625 21.105 ( -0.020 -8.963 0.160) 8.965 21.248 ( -0.139 3.377 -0.677) 3.447======================= Grid point 287 (126/322) =======================q-point: (-0.38 -0.38 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.378 ( -25.150 0.000 7.935) 26.372 1.710 ( -25.369 0.000 -0.306) 25.371 2.189 ( 17.444 -0.000 5.864) 18.403 2.511 ( 8.592 -0.000 -0.751) 8.624 2.733 ( 4.503 -0.000 0.642) 4.549 2.855 ( 3.597 -0.000 -3.423) 4.966 3.176 ( -16.963 0.000 3.138) 17.250 3.261 ( -0.186 0.000 6.085) 6.088 3.295 ( -22.443 0.000 -2.988) 22.641 3.644 ( -3.394 0.000 -0.908) 3.513 3.883 ( -2.700 0.000 1.917) 3.311 3.899 ( -0.959 0.000 -2.227) 2.425 4.167 ( -2.435 0.000 1.714) 2.977 4.348 ( 4.239 -0.000 -1.122) 4.385 4.721 ( 13.738 -0.000 1.864) 13.864 5.075 ( -1.193 0.000 -5.038) 5.178 5.151 ( 9.899 -0.000 0.308) 9.904 5.508 ( 11.901 -0.000 1.860) 12.046 6.584 ( -0.578 0.000 17.791) 17.801 7.346 ( 5.124 -0.000 1.164) 5.254 7.872 ( -0.634 0.000 6.903) 6.932 8.355 ( -1.150 0.000 1.183) 1.650 8.912 ( -3.309 0.000 -0.116) 3.311 9.056 ( 3.009 -0.000 -8.887) 9.383 9.753 ( -1.082 0.000 -0.628) 1.251 10.111 ( -4.344 0.000 6.500) 7.818 10.317 ( 5.807 -0.000 -2.073) 6.166 10.600 ( 0.301 -0.000 0.998) 1.043 10.664 ( 0.937 -0.000 0.020) 0.937 11.194 ( 1.816 -0.000 -6.391) 6.644 15.050 ( -5.190 0.000 7.307) 8.963 15.610 ( 2.223 -0.000 -0.731) 2.340 16.769 ( -8.046 0.000 -3.780) 8.890 17.646 ( 11.700 -0.000 -12.864) 17.389 19.458 ( 0.012 -0.000 0.117) 0.118 19.682 ( 0.083 -0.000 -0.072) 0.110======================= Grid point 288 (127/322) =======================q-point: (-0.31 -0.38 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.335 ( -23.024 -8.720 7.951) 25.872 1.757 ( -22.746 -16.408 -0.026) 28.047 2.328 ( 15.229 -3.379 5.185) 16.439 2.643 ( 4.905 -8.757 -1.356) 10.129 2.816 ( 3.544 -5.062 1.727) 6.416 2.960 ( 2.070 -7.848 -0.384) 8.125 3.078 ( -32.873 -9.280 -1.194) 34.178 3.304 ( -4.901 -6.995 -1.754) 8.719 3.426 ( 0.135 -11.646 3.005) 12.028 3.679 ( -5.251 -5.796 2.511) 8.214 3.919 ( -1.805 -3.350 1.971) 4.286 4.068 ( 1.636 -12.854 -2.089) 13.125 4.244 ( -0.684 -9.979 2.337) 10.272 4.448 ( 2.217 -9.873 -1.109) 10.179 4.843 ( 15.568 -5.605 1.853) 16.650 5.076 ( -0.213 -1.475 -3.203) 3.533 5.193 ( 6.555 -0.190 -2.843) 7.147 5.576 ( 13.905 0.073 0.903) 13.934 6.503 ( 0.004 10.230 16.300) 19.244 7.299 ( 7.309 8.156 2.008) 11.134 7.847 ( -2.879 4.039 5.626) 7.500 8.173 ( -1.940 13.599 0.401) 13.743 8.899 ( 0.761 4.600 -9.178) 10.295 9.098 ( -2.710 -8.567 -0.948) 9.035 9.898 ( 3.491 -9.656 1.995) 10.460 10.003 ( -3.879 9.239 6.084) 11.723 10.286 ( 2.264 3.380 -1.145) 4.226 10.563 ( 0.872 1.515 1.767) 2.486 10.817 ( 2.052 -11.466 -0.246) 11.651 11.126 ( 1.547 6.373 -6.494) 9.229 14.991 ( -5.592 3.712 7.140) 9.800 15.522 ( -1.864 9.219 -2.682) 9.781 16.664 ( -7.310 4.969 -2.430) 9.167 16.998 ( -8.830 44.924 -8.880) 46.637 19.624 ( -0.104 -15.885 0.922) 15.912 20.305 ( 14.064 -41.352 -4.370) 43.896======================= Grid point 289 (128/322) =======================q-point: (-0.23 -0.38 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.447 ( -18.405 -12.448 7.262) 23.376 1.977 ( -18.590 -17.026 0.085) 25.209 2.498 ( 11.367 -4.566 4.558) 13.071 2.854 ( 1.830 -9.183 0.827) 9.400 2.956 ( -1.384 -8.763 0.409) 8.881 3.127 ( -3.678 -8.152 0.156) 8.944 3.184 ( -11.030 -14.816 -0.447) 18.477 3.498 ( -5.239 -14.122 -0.525) 15.072 3.592 ( -1.395 -7.200 0.150) 7.335 3.779 ( -6.551 -6.338 5.348) 10.568 3.959 ( -2.592 -3.025 -1.623) 4.301 4.259 ( 4.013 -3.779 0.424) 5.528 4.504 ( 1.257 -10.430 -0.251) 10.508 4.683 ( 4.191 -8.960 0.868) 9.930 5.085 ( -2.212 -5.316 -5.139) 7.718 5.244 ( 14.844 -13.094 0.829) 19.811 5.309 ( 2.926 -16.940 -1.541) 17.260 5.780 ( 14.478 -17.622 -0.964) 22.827 6.280 ( 3.570 14.453 12.368) 19.354 7.125 ( 8.196 14.497 1.695) 16.740 7.630 ( -7.620 14.097 0.402) 16.030 7.992 ( -3.203 2.723 3.117) 5.234 8.737 ( 1.894 9.913 -11.123) 15.019 9.280 ( -4.007 -9.053 2.295) 10.163 9.729 ( -2.089 16.520 6.791) 17.983 9.950 ( 5.227 8.446 -0.968) 9.980 10.307 ( -3.762 -3.476 -0.283) 5.130 10.606 ( 3.788 -2.534 3.956) 6.035 10.971 ( 1.531 0.674 -6.384) 6.599 11.138 ( 2.462 -16.007 0.925) 16.221 14.876 ( -6.090 5.086 5.787) 9.821 15.249 ( -12.301 11.382 -4.742) 17.417 16.285 ( -11.185 18.333 -1.713) 21.544 16.520 ( -6.007 5.327 -1.690) 8.204 20.024 ( -0.241 -23.279 1.759) 23.347 21.014 ( 15.355 -20.788 -5.663) 26.457======================= Grid point 290 (129/322) =======================q-point: (-0.15 -0.38 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.571 ( -14.208 -7.337 7.079) 17.488 2.191 ( -15.724 -14.882 0.357) 21.653 2.621 ( 6.570 -1.453 4.162) 7.912 2.988 ( 0.668 -4.211 4.315) 6.066 3.154 ( -1.153 -11.368 -2.419) 11.679 3.258 ( -2.040 -6.691 0.710) 7.031 3.430 ( -2.444 -13.006 -0.678) 13.251 3.602 ( 4.342 -0.762 0.535) 4.440 3.823 ( -3.063 -5.414 8.491) 10.526 3.902 ( -12.610 -18.661 -3.510) 22.793 4.049 ( -2.922 -8.180 -4.000) 9.563 4.325 ( 3.165 -1.478 2.146) 4.100 4.593 ( 3.362 -0.695 -1.787) 3.871 4.747 ( 1.620 2.761 -1.462) 3.519 5.171 ( 3.212 -4.020 -4.200) 6.642 5.439 ( 6.370 -5.642 -0.493) 8.524 5.879 ( 1.154 -28.269 -0.048) 28.292 6.073 ( 10.564 8.737 7.578) 15.665 6.432 ( 12.635 -34.007 -1.035) 36.293 6.860 ( 6.130 14.902 -0.420) 16.119 7.320 ( -9.093 11.545 1.459) 14.768 7.978 ( -6.976 -2.849 2.839) 8.052 8.519 ( 2.519 11.673 -9.844) 15.476 9.345 ( -1.650 3.452 5.058) 6.342 9.395 ( -4.398 13.765 4.710) 15.199 9.759 ( 4.602 12.066 -0.921) 12.946 10.297 ( -1.685 2.223 -2.814) 3.962 10.498 ( -0.524 11.273 0.697) 11.307 11.206 ( 2.205 -19.623 0.070) 19.747 11.553 ( 5.519 -22.945 0.109) 23.599 14.775 ( -6.560 1.515 4.238) 7.955 15.005 ( -13.293 4.937 -3.818) 14.685 16.042 ( -5.873 4.227 0.268) 7.241 16.399 ( -4.773 3.448 -1.413) 6.055 20.480 ( -0.255 -22.096 1.822) 22.172 21.302 ( 8.140 -4.136 -4.370) 10.122======================= Grid point 291 (130/322) =======================q-point: (-0.08 -0.38 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.544 ( -10.706 4.563 7.376) 13.778 2.370 ( -10.584 -10.854 1.109) 15.201 2.640 ( 2.053 2.470 4.155) 5.252 3.068 ( 0.614 -3.191 3.825) 5.019 3.324 ( -5.834 -6.840 -1.223) 9.073 3.385 ( 4.027 -6.794 0.890) 7.947 3.619 ( 2.160 -5.247 0.188) 5.677 3.675 ( 2.933 -5.512 -1.498) 6.421 3.891 ( -1.340 -3.991 5.913) 7.259 4.109 ( -7.680 -6.858 -2.531) 10.603 4.203 ( -4.481 -7.664 -2.537) 9.233 4.377 ( 3.354 -2.351 0.664) 4.150 4.581 ( -3.641 2.883 -4.888) 6.742 4.758 ( 2.933 -6.567 0.418) 7.204 5.243 ( 5.552 -1.113 -1.237) 5.796 5.567 ( 1.564 -5.088 -1.430) 5.511 5.968 ( 16.443 5.234 1.886) 17.359 6.306 ( 1.179 -3.422 0.405) 3.642 6.711 ( -0.441 -3.840 -0.228) 3.872 7.005 ( 0.611 -1.917 1.345) 2.420 7.235 ( 2.092 -20.019 0.183) 20.129 8.000 ( -11.024 -3.462 1.766) 11.689 8.307 ( 3.054 8.984 -7.356) 12.006 9.100 ( 1.700 12.476 6.530) 14.184 9.258 ( -5.488 6.476 4.112) 9.432 9.565 ( 3.815 9.739 -1.682) 10.594 10.146 ( -0.198 10.656 -5.394) 11.945 10.372 ( -1.068 0.633 3.460) 3.676 11.604 ( -2.142 -19.833 -0.963) 19.972 12.049 ( 9.359 -21.692 -0.666) 23.634 14.751 ( -3.870 -0.746 4.348) 5.869 14.877 ( -10.336 0.580 -4.086) 11.130 15.990 ( -4.531 -1.176 0.480) 4.706 16.326 ( -3.633 1.397 -1.569) 4.197 20.859 ( -0.211 -16.149 1.152) 16.192 21.321 ( 2.523 3.271 -2.473) 4.815======================= Grid point 301 (131/322) =======================q-point: (-0.31 -0.31 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.117 ( -24.440 0.000 10.264) 26.508 1.403 ( -27.589 0.000 0.792) 27.601 2.403 ( 15.808 -0.000 5.012) 16.583 2.557 ( 1.635 -0.000 -3.410) 3.781 2.667 ( -51.398 0.000 -2.706) 51.469 2.816 ( 7.850 -0.000 2.309) 8.183 2.882 ( 2.610 -0.000 -2.374) 3.528 3.255 ( -1.510 0.000 -2.789) 3.171 3.287 ( 1.688 -0.000 5.242) 5.507 3.612 ( -1.890 0.000 7.514) 7.748 3.878 ( -1.431 0.000 -2.204) 2.628 3.898 ( 2.131 -0.000 3.396) 4.009 4.144 ( -1.817 0.000 0.633) 1.924 4.383 ( 1.870 -0.000 -1.452) 2.368 4.890 ( 12.494 -0.000 0.612) 12.509 5.063 ( 2.379 -0.000 -0.181) 2.386 5.225 ( 5.072 -0.000 -5.583) 7.543 5.674 ( 14.100 -0.000 1.299) 14.160 6.629 ( -1.570 0.000 18.346) 18.414 7.424 ( 7.545 -0.000 1.137) 7.630 7.899 ( 1.370 -0.000 8.714) 8.821 8.339 ( -2.245 0.000 1.410) 2.651 8.863 ( -5.079 0.000 -0.119) 5.081 9.062 ( 3.204 -0.000 -11.416) 11.857 9.737 ( -1.183 0.000 -0.560) 1.309 10.111 ( -0.054 0.000 11.816) 11.816 10.370 ( 4.396 -0.000 -2.805) 5.215 10.619 ( 2.386 -0.000 1.965) 3.091 10.676 ( 1.065 -0.000 -0.031) 1.065 11.189 ( 0.964 -0.000 -7.806) 7.866 15.006 ( -6.025 0.000 7.691) 9.770 15.621 ( 0.209 -0.000 -2.469) 2.477 16.663 ( -8.340 0.000 -2.209) 8.628 17.703 ( 6.743 -0.000 -23.880) 24.814 19.458 ( 0.029 -0.000 0.116) 0.119 19.683 ( 0.103 -0.000 -0.073) 0.126======================= Grid point 302 (132/322) =======================q-point: (-0.23 -0.31 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.105 ( -21.184 -10.622 10.127) 25.771 1.489 ( -23.390 -19.706 0.915) 30.599 2.478 ( -14.734 -9.407 -0.554) 17.490 2.535 ( -17.049 -8.250 2.560) 19.112 2.693 ( -0.302 -10.598 -3.505) 11.167 2.920 ( 2.847 -5.239 3.081) 6.711 2.990 ( 4.159 -8.182 -0.402) 9.187 3.269 ( -3.010 -4.985 -3.455) 6.771 3.456 ( 2.360 -11.204 2.909) 11.813 3.655 ( -1.023 -4.546 8.067) 9.316 3.901 ( -2.344 -1.350 0.958) 2.870 4.114 ( 6.562 -14.505 0.197) 15.921 4.241 ( -0.847 -11.116 2.216) 11.367 4.459 ( 0.223 -9.781 -1.636) 9.919 4.972 ( 4.872 -3.389 -3.566) 6.924 5.126 ( 10.492 -3.661 3.416) 11.625 5.241 ( 4.976 -0.718 -6.236) 8.010 5.730 ( 11.217 0.665 0.210) 11.239 6.553 ( -0.184 9.077 16.210) 18.579 7.398 ( 8.466 7.512 1.696) 11.444 7.847 ( -0.384 8.525 7.103) 11.103 8.143 ( -3.326 13.503 0.621) 13.920 8.879 ( 0.745 3.619 -9.180) 9.896 9.048 ( -4.817 -7.614 -2.414) 9.328 9.895 ( -3.881 -8.145 -1.546) 9.154 10.046 ( 6.150 6.818 12.694) 15.667 10.310 ( 2.506 5.797 -1.203) 6.429 10.588 ( 1.783 0.240 4.132) 4.507 10.840 ( 2.177 -10.830 -1.726) 11.181 11.116 ( 0.307 5.791 -6.791) 8.930 14.946 ( -5.825 3.805 6.977) 9.853 15.454 ( -8.565 15.149 -6.257) 18.493 16.572 ( -7.300 3.853 -1.369) 8.367 16.794 ( -20.680 48.325 -11.851) 53.883 19.626 ( -0.096 -15.924 1.026) 15.957 20.489 ( 21.090 -45.738 -8.738) 51.119======================= Grid point 303 (133/322) =======================q-point: (-0.15 -0.31 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.273 ( -15.578 -14.266 8.570) 22.796 1.751 ( -20.401 -19.000 0.428) 27.882 2.624 ( 7.351 -2.814 2.877) 8.380 2.730 ( -23.958 -23.505 -1.085) 33.581 2.909 ( -0.125 -11.642 -3.137) 12.058 3.057 ( -2.031 -8.890 3.725) 9.850 3.186 ( 3.163 -9.259 1.175) 9.855 3.436 ( -3.824 -14.267 -3.017) 15.076 3.612 ( 1.432 -3.636 1.652) 4.243 3.773 ( 1.376 -4.260 8.905) 9.967 3.921 ( -2.765 -3.136 -2.228) 4.737 4.295 ( 1.726 -2.948 0.123) 3.418 4.538 ( 3.629 -11.757 2.061) 12.476 4.706 ( 0.853 -8.864 -0.685) 8.931 5.077 ( 3.608 -6.740 -4.823) 9.040 5.319 ( 0.372 -12.759 -3.320) 13.189 5.400 ( 10.385 -10.848 0.829) 15.040 5.934 ( 12.266 -20.070 -1.150) 23.549 6.370 ( 5.214 12.060 12.235) 17.953 7.229 ( 8.575 15.247 1.124) 17.529 7.559 ( -4.675 17.079 0.543) 17.715 7.951 ( -5.465 3.902 3.735) 7.684 8.724 ( 1.937 9.340 -11.200) 14.712 9.229 ( -5.480 -9.662 1.641) 11.228 9.720 ( -3.659 15.420 6.698) 17.205 10.007 ( 4.975 9.219 -1.220) 10.546 10.273 ( -2.188 -1.173 0.347) 2.506 10.659 ( 2.731 0.717 3.307) 4.349 10.973 ( 2.347 -4.124 -4.587) 6.599 11.169 ( 2.285 -16.247 1.019) 16.439 14.808 ( -9.113 6.317 3.423) 11.605 15.051 ( -17.765 10.276 -4.798) 21.076 16.149 ( -10.851 12.225 -0.927) 16.373 16.446 ( -5.883 4.488 -0.920) 7.456 20.027 ( -0.264 -23.302 1.911) 23.381 21.187 ( 17.685 -15.776 -8.692) 25.243======================= Grid point 304 (134/322) =======================q-point: (-0.08 -0.31 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.444 ( -11.449 -8.528 7.537) 16.144 2.007 ( -15.636 -17.895 0.602) 23.771 2.692 ( 3.527 -0.148 2.387) 4.262 2.965 ( -6.409 -8.829 2.965) 11.306 3.119 ( -2.016 -10.289 -2.525) 10.785 3.261 ( 1.363 -9.880 1.211) 10.047 3.410 ( -1.160 -13.029 -0.372) 13.086 3.638 ( 1.599 -2.698 -0.238) 3.145 3.767 ( -7.907 -18.153 -3.080) 20.039 3.846 ( 0.733 -1.620 9.248) 9.417 4.009 ( -1.817 -7.398 -3.280) 8.294 4.349 ( 0.176 -2.614 0.952) 2.787 4.619 ( 0.891 2.391 -0.769) 2.665 4.759 ( 3.054 1.156 -0.395) 3.289 5.226 ( 7.178 -4.650 -3.079) 9.090 5.477 ( 0.735 -4.611 -1.585) 4.931 5.887 ( 0.219 -29.113 -0.124) 29.114 6.224 ( 10.365 6.638 8.010) 14.685 6.581 ( 13.530 -30.901 -1.986) 33.792 6.936 ( 7.205 16.352 -0.883) 17.891 7.228 ( -7.476 12.545 1.312) 14.663 7.894 ( -8.841 -1.029 3.127) 9.434 8.518 ( 2.922 11.159 -9.355) 14.852 9.294 ( -6.584 0.174 2.865) 7.182 9.397 ( -0.816 15.721 6.232) 16.931 9.806 ( 3.970 12.176 -1.355) 12.878 10.267 ( -1.903 1.133 -2.361) 3.237 10.485 ( -1.833 11.534 -0.549) 11.691 11.236 ( 2.562 -16.576 1.401) 16.831 11.620 ( 5.726 -25.539 0.001) 26.173 14.689 ( -10.257 -0.920 0.733) 10.324 14.857 ( -9.481 3.378 -0.782) 10.095 15.979 ( -5.076 2.822 0.486) 5.828 16.340 ( -4.666 2.877 -0.958) 5.565 20.483 ( -0.343 -22.042 1.939) 22.130 21.381 ( 7.965 -0.159 -5.590) 9.733======================= Grid point 315 (135/322) =======================q-point: (-0.23 -0.23 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.882 ( -22.273 0.000 14.233) 26.432 1.080 ( -28.800 0.000 2.657) 28.923 2.026 ( -55.720 0.000 -2.282) 55.767 2.550 ( -0.106 0.000 -4.669) 4.671 2.596 ( 13.467 -0.000 4.802) 14.297 2.884 ( 1.259 -0.000 1.191) 1.733 2.924 ( 6.594 -0.000 0.087) 6.595 3.189 ( -7.054 0.000 -4.448) 8.340 3.329 ( 2.802 -0.000 4.199) 5.048 3.659 ( 3.973 -0.000 12.130) 12.764 3.853 ( -1.565 0.000 -2.037) 2.568 3.928 ( 0.393 -0.000 2.046) 2.083 4.142 ( 1.732 -0.000 2.967) 3.436 4.379 ( -1.292 0.000 -2.416) 2.740 4.965 ( 3.351 -0.000 -3.444) 4.805 5.170 ( 11.641 -0.000 4.357) 12.430 5.252 ( 4.245 -0.000 -7.249) 8.401 5.815 ( 8.984 -0.000 0.811) 9.021 6.661 ( -2.258 0.000 16.182) 16.339 7.523 ( 8.682 -0.000 1.004) 8.740 7.963 ( 4.071 -0.000 12.010) 12.681 8.313 ( -2.899 0.000 1.446) 3.239 8.796 ( -6.201 0.000 -0.114) 6.202 9.055 ( 2.220 -0.000 -13.859) 14.036 9.723 ( -0.990 0.000 -0.319) 1.040 10.197 ( 7.195 -0.000 16.983) 18.444 10.406 ( 3.434 -0.000 0.642) 3.493 10.662 ( 3.555 -0.000 0.901) 3.667 10.688 ( 0.973 -0.000 -0.173) 0.988 11.165 ( -0.660 0.000 -7.815) 7.843 14.963 ( -5.422 0.000 7.155) 8.977 15.591 ( -3.388 0.000 -6.761) 7.563 16.566 ( -7.358 0.000 -1.138) 7.445 17.611 ( -6.611 0.000 -44.662) 45.149 19.459 ( 0.032 -0.000 0.113) 0.118 19.684 ( 0.104 -0.000 -0.076) 0.129======================= Grid point 316 (136/322) =======================q-point: (-0.15 -0.23 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.915 ( -17.640 -12.678 13.389) 25.518 1.222 ( -23.478 -22.026 2.219) 32.269 1.962 ( -45.443 -26.549 -0.461) 52.632 2.604 ( 3.640 -4.171 -1.745) 5.804 2.731 ( 6.193 -6.276 0.744) 8.849 2.941 ( -0.370 -4.443 3.164) 5.467 3.052 ( 5.332 -7.370 0.093) 9.097 3.203 ( -5.791 -6.850 -4.057) 9.844 3.493 ( 2.330 -10.312 2.663) 10.902 3.704 ( 4.523 -4.330 8.102) 10.239 3.871 ( -3.152 -0.737 0.530) 3.281 4.193 ( 3.546 -13.707 -0.552) 14.169 4.258 ( 4.404 -10.327 4.851) 12.230 4.454 ( 1.623 -12.914 -1.831) 13.144 4.996 ( 3.360 -2.073 -3.786) 5.470 5.216 ( 1.661 -0.436 -3.491) 3.890 5.328 ( 12.487 -4.635 -0.047) 13.320 5.821 ( 4.019 0.742 0.223) 4.093 6.598 ( -0.168 7.055 13.749) 15.454 7.499 ( 7.828 7.602 1.182) 10.976 7.885 ( 2.337 12.856 9.625) 16.229 8.101 ( -4.272 14.019 0.903) 14.683 8.860 ( 1.008 2.537 -9.414) 9.802 8.975 ( -6.024 -7.397 -2.792) 9.940 9.833 ( -6.010 -3.519 0.331) 6.972 10.178 ( 8.569 6.849 9.029) 14.208 10.342 ( 3.628 7.016 1.594) 8.058 10.629 ( 1.910 -1.231 7.147) 7.499 10.850 ( 1.004 -9.368 -3.631) 10.097 11.098 ( 0.114 4.038 -4.180) 5.813 14.899 ( -6.107 5.045 5.160) 9.454 15.246 ( -24.198 24.690 -12.947) 36.915 16.458 ( -25.233 32.226 -10.496) 42.253 16.495 ( -8.902 8.509 -0.849) 12.344 19.628 ( -0.127 -15.971 1.140) 16.013 20.734 ( 27.620 -48.211 -17.649) 58.298======================= Grid point 317 (137/322) =======================q-point: (-0.08 -0.23 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.145 ( -11.361 -15.565 10.436) 21.915 1.513 ( -20.484 -21.526 1.548) 29.755 2.433 ( -21.423 -33.787 -1.365) 40.030 2.712 ( 4.840 -4.422 0.879) 6.615 2.908 ( 0.398 -9.906 -1.626) 10.046 3.052 ( -1.693 -7.602 4.522) 9.006 3.222 ( 1.932 -7.758 1.280) 8.097 3.378 ( -4.200 -13.742 -5.125) 15.256 3.632 ( 1.123 -3.167 2.029) 3.925 3.850 ( 6.111 -3.044 8.913) 11.227 3.883 ( -2.735 -3.232 -1.961) 4.666 4.302 ( 0.086 -1.908 -0.787) 2.066 4.558 ( -2.336 -12.324 2.129) 12.723 4.759 ( 9.708 -6.535 0.538) 11.715 5.125 ( 6.302 -9.329 -4.100) 11.981 5.292 ( -2.998 -11.942 -4.052) 12.962 5.479 ( 2.751 -5.847 0.355) 6.472 6.049 ( 7.545 -22.438 -0.507) 23.678 6.476 ( 6.780 7.559 9.869) 14.160 7.321 ( 6.289 14.821 0.742) 16.117 7.530 ( -0.368 21.213 0.631) 21.225 7.892 ( -6.940 5.134 4.682) 9.820 8.717 ( 2.882 8.394 -10.480) 13.733 9.173 ( -4.607 -9.545 1.591) 10.718 9.679 ( -6.807 12.172 5.655) 15.049 10.054 ( 3.650 10.575 -1.761) 11.325 10.257 ( -0.919 2.043 0.630) 2.326 10.670 ( -1.419 5.179 -3.146) 6.224 11.015 ( 5.689 -9.294 3.259) 11.374 11.195 ( 1.563 -16.735 1.395) 16.866 14.640 ( -19.439 5.826 -3.300) 20.560 14.880 ( -9.116 4.093 1.097) 10.052 16.038 ( -7.820 6.835 -0.122) 10.387 16.381 ( -4.752 4.069 -0.439) 6.271 20.030 ( -0.342 -23.306 2.065) 23.400 21.355 ( 16.426 -9.861 -12.846) 23.066======================= Grid point 329 (138/322) =======================q-point: (-0.15 -0.15 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.697 ( -18.496 0.000 19.589) 26.941 0.758 ( -28.389 0.000 6.110) 29.039 1.371 ( -55.998 0.000 2.522) 56.055 2.532 ( -0.042 0.000 -5.611) 5.611 2.744 ( 9.492 -0.000 3.183) 10.011 2.888 ( -0.623 0.000 0.970) 1.153 2.997 ( 4.995 -0.000 1.101) 5.115 3.086 ( -7.850 0.000 -3.681) 8.670 3.374 ( 2.638 -0.000 3.248) 4.184 3.756 ( 5.297 -0.000 11.645) 12.793 3.830 ( -1.229 0.000 -1.730) 2.122 3.899 ( -4.955 0.000 -2.455) 5.530 4.235 ( 11.351 -0.000 10.753) 15.635 4.348 ( -1.879 0.000 -2.658) 3.255 5.001 ( 4.988 -0.000 -1.694) 5.267 5.213 ( -1.315 0.000 -6.001) 6.143 5.364 ( 13.110 -0.000 0.989) 13.147 5.875 ( 0.540 -0.000 0.871) 1.024 6.680 ( -1.978 0.000 12.184) 12.343 7.624 ( 7.949 -0.000 0.787) 7.988 8.073 ( 7.778 -0.000 15.699) 17.520 8.284 ( -2.759 0.000 1.412) 3.099 8.723 ( -6.074 0.000 -0.106) 6.075 9.019 ( -0.801 0.000 -16.181) 16.201 9.714 ( -0.569 0.000 0.052) 0.572 10.322 ( 4.607 -0.000 0.590) 4.645 10.547 ( 18.315 -0.000 22.893) 29.318 10.690 ( 2.354 -0.000 2.561) 3.478 10.697 ( 0.693 -0.000 -0.375) 0.788 11.139 ( 0.301 -0.000 -3.785) 3.797 14.923 ( -5.024 0.000 5.214) 7.241 15.468 ( -14.179 0.000 -20.414) 24.855 16.487 ( -5.664 0.000 -0.869) 5.730 17.176 ( -41.281 0.000 -73.955) 84.697 19.460 ( 0.021 -0.000 0.111) 0.113 19.685 ( 0.086 -0.000 -0.081) 0.119======================= Grid point 330 (139/322) =======================q-point: (-0.08 -0.15 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.787 ( -12.343 -14.710 17.035) 25.670 0.957 ( -23.772 -22.146 4.735) 32.833 1.504 ( -31.922 -40.456 4.415) 51.722 2.614 ( 0.985 -7.255 -4.836) 8.774 2.800 ( 3.735 -1.882 1.494) 4.441 2.944 ( -0.705 -4.219 3.639) 5.616 3.096 ( 1.619 -6.738 -0.950) 6.995 3.125 ( -4.407 -7.878 -3.450) 9.664 3.525 ( 1.856 -9.557 2.357) 10.017 3.791 ( 5.180 -4.073 0.838) 6.643 3.835 ( -2.421 -2.460 4.943) 6.029 4.190 ( -1.704 -15.019 -0.325) 15.119 4.317 ( 1.313 -0.906 0.774) 1.773 4.562 ( 17.901 -19.021 0.682) 26.129 5.042 ( 6.031 -1.490 -0.674) 6.248 5.188 ( -3.070 -0.394 -5.820) 6.592 5.448 ( 6.128 -1.086 0.786) 6.273 5.825 ( -3.214 -2.065 0.732) 3.889 6.636 ( 0.220 4.697 10.429) 11.440 7.581 ( 5.458 8.661 0.905) 10.277 7.951 ( 2.222 15.963 11.996) 20.092 8.052 ( -4.605 15.802 0.844) 16.481 8.839 ( 0.208 4.422 -11.549) 12.369 8.907 ( -3.520 -12.779 0.032) 13.255 9.759 ( -7.549 0.519 2.299) 7.908 10.250 ( 1.862 7.685 -2.189) 8.205 10.414 ( 4.886 12.318 3.957) 13.830 10.625 ( -7.667 -0.753 -1.225) 7.801 10.900 ( 9.835 -7.876 11.451) 17.026 11.101 ( 1.380 2.569 0.117) 2.919 14.714 ( -38.396 21.295 -13.568) 45.955 14.906 ( -12.239 4.756 0.047) 13.131 16.156 ( -18.224 13.924 -3.854) 23.256 16.429 ( -4.327 3.180 -0.171) 5.373 19.630 ( -0.192 -16.017 1.245) 16.067 20.991 ( 28.121 -46.286 -32.089) 62.952======================= Grid point 343 (140/322) =======================q-point: (-0.08 -0.08 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.483 ( -22.250 0.000 13.043) 25.791 0.555 ( -20.798 0.000 18.325) 27.719 0.812 ( -38.175 0.000 20.629) 43.392 2.517 ( 0.675 -0.000 -6.461) 6.496 2.834 ( 4.946 -0.000 1.535) 5.179 2.879 ( -1.505 0.000 1.350) 2.022 2.995 ( -5.587 0.000 -3.228) 6.453 3.044 ( 2.570 -0.000 1.110) 2.799 3.407 ( 1.302 -0.000 2.563) 2.875 3.790 ( -7.056 0.000 -0.608) 7.082 3.816 ( -0.351 0.000 -1.334) 1.380 3.867 ( 3.718 -0.000 4.955) 6.195 4.321 ( 0.135 -0.000 -2.205) 2.209 4.484 ( 20.918 -0.000 9.767) 23.086 5.074 ( 6.556 -0.000 3.027) 7.221 5.163 ( -0.582 0.000 -5.524) 5.554 5.498 ( 9.668 -0.000 -0.900) 9.710 5.833 ( -7.996 0.000 0.887) 8.045 6.692 ( -1.644 0.000 9.156) 9.303 7.703 ( 4.743 -0.000 0.519) 4.772 8.237 ( 7.444 -0.000 8.328) 11.169 8.273 ( 4.378 -0.000 6.792) 8.081 8.663 ( -3.926 0.000 -0.075) 3.927 8.908 ( -10.939 0.000 -17.189) 20.374 9.711 ( -0.050 0.000 0.469) 0.471 10.324 ( -2.949 0.000 -8.128) 8.646 10.502 ( -20.693 0.000 -13.825) 24.886 10.701 ( 0.291 -0.000 -0.594) 0.661 11.093 ( 20.730 -0.000 7.806) 22.151 11.269 ( 43.882 -0.000 33.089) 54.959 14.812 ( -69.154 0.000 -46.624) 83.403 14.897 ( -25.606 0.000 -11.148) 27.927 16.292 ( -48.147 0.000 -32.210) 57.928 16.446 ( -6.425 0.000 -1.749) 6.658 19.460 ( -0.002 0.000 0.109) 0.109 19.685 ( 0.054 -0.000 -0.087) 0.103======================= Grid point 344 (141/322) =======================q-point: ( 0.00 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.753 ( 1.141 -0.000 15.714) 15.755 0.841 ( 7.583 -0.000 17.331) 18.917 1.368 ( 1.755 -0.000 28.030) 28.085 2.341 ( 1.056 -0.000 -8.887) 8.950 2.717 ( 0.476 -0.000 -10.199) 10.210 2.903 ( -0.998 0.000 2.299) 2.507 3.064 ( -0.671 0.000 -0.715) 0.981 3.066 ( -0.530 0.000 8.016) 8.033 3.479 ( -0.998 0.000 3.478) 3.619 3.583 ( -7.846 0.000 -5.631) 9.657 3.788 ( 1.308 -0.000 -1.675) 2.125 4.020 ( 0.409 -0.000 3.574) 3.597 4.307 ( 3.787 -0.000 -1.950) 4.260 4.397 ( -13.133 0.000 -4.001) 13.729 5.114 ( 4.536 -0.000 0.455) 4.558 5.313 ( 7.950 -0.000 0.174) 7.951 5.550 ( 3.799 -0.000 -1.385) 4.043 5.706 ( -5.991 0.000 -3.104) 6.747 6.916 ( -5.564 0.000 12.554) 13.732 7.735 ( -0.781 0.000 0.327) 0.847 8.218 ( -12.317 0.000 1.390) 12.395 8.333 ( -4.369 0.000 2.892) 5.239 8.639 ( 0.239 -0.000 -0.032) 0.241 8.751 ( 11.847 -0.000 -3.845) 12.455 9.735 ( 0.557 -0.000 1.086) 1.221 9.850 ( -17.392 0.000 -3.905) 17.825 10.323 ( 0.093 -0.000 -2.429) 2.431 10.680 ( -0.192 0.000 -1.024) 1.042 11.205 ( -1.588 0.000 1.472) 2.165 11.507 ( -12.365 0.000 0.863) 12.395 14.633 ( 41.840 -0.000 0.765) 41.847 14.804 ( -1.335 0.000 -0.871) 1.594 16.078 ( 5.319 -0.000 0.946) 5.403 16.408 ( -0.488 0.000 -0.505) 0.702 19.463 ( -0.040 0.000 0.136) 0.142 19.683 ( 0.019 -0.000 -0.118) 0.119======================= Grid point 345 (142/322) =======================q-point: ( 0.08 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.109 ( 13.009 -16.805 12.315) 24.562 1.189 ( 4.762 -21.331 15.531) 26.813 1.606 ( 7.388 -21.493 13.786) 26.581 2.476 ( 1.309 -12.564 -6.033) 13.999 2.756 ( 3.272 -4.204 -7.778) 9.427 2.945 ( -1.118 -2.983 0.328) 3.203 3.040 ( -1.784 -1.356 5.161) 5.627 3.107 ( -3.385 -4.868 0.440) 5.945 3.562 ( -6.160 -4.441 -2.942) 8.144 3.615 ( -0.979 -9.130 2.096) 9.418 4.060 ( 0.336 -5.937 3.555) 6.928 4.136 ( -0.593 -22.423 -1.718) 22.496 4.348 ( -5.575 -1.175 -1.168) 5.816 4.423 ( -0.598 -14.684 -3.369) 15.078 5.128 ( 0.486 0.050 -1.108) 1.211 5.345 ( 3.769 -0.097 -0.427) 3.794 5.517 ( 0.294 9.620 0.563) 9.641 5.662 ( -3.119 -8.597 -2.178) 9.401 6.855 ( -7.832 3.862 12.013) 14.851 7.619 ( -3.391 10.036 0.207) 10.596 7.954 ( -7.667 16.475 2.488) 18.342 8.154 ( -0.053 12.554 5.195) 13.587 8.722 ( 6.714 -2.472 -3.096) 7.796 8.945 ( 5.358 -10.907 -3.737) 12.714 9.672 ( -5.168 3.559 3.637) 7.252 9.903 ( -4.024 -7.854 -4.824) 10.057 10.325 ( 1.092 0.349 -1.248) 1.695 10.499 ( -0.910 13.321 -1.359) 13.421 11.127 ( -7.903 0.551 2.506) 8.309 11.467 ( 2.169 0.541 6.658) 7.023 14.632 ( 6.375 6.758 -1.288) 9.379 14.798 ( 21.377 8.446 0.851) 23.001 16.061 ( 6.568 5.050 0.493) 8.300 16.382 ( 1.395 2.580 -0.386) 2.959 19.670 ( -0.680 -18.257 2.417) 18.429 20.373 ( 0.136 -46.427 -22.537) 51.608======================= Grid point 346 (143/322) =======================q-point: ( 0.15 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.485 ( 1.992 -7.864 16.643) 18.515 1.576 ( 14.055 -19.651 7.313) 25.242 2.204 ( 7.682 -26.119 -5.102) 27.699 2.756 ( -0.235 -14.458 -2.310) 14.643 2.864 ( -2.003 -6.343 0.506) 6.671 3.026 ( 6.031 -6.349 -2.022) 8.987 3.142 ( -0.370 -7.837 1.172) 7.932 3.220 ( -2.579 -8.514 0.813) 8.933 3.636 ( -4.571 -2.810 1.092) 5.476 3.740 ( -0.997 -8.384 -0.397) 8.452 4.142 ( -1.869 -4.631 4.044) 6.426 4.327 ( -0.501 1.073 -0.432) 1.260 4.563 ( 0.916 -14.319 0.226) 14.350 4.856 ( -1.608 -20.811 2.735) 21.051 5.180 ( 0.077 -12.642 -4.492) 13.417 5.355 ( -6.282 -0.427 -1.286) 6.427 5.386 ( 4.957 0.884 -0.520) 5.062 5.955 ( -3.843 -22.607 -2.264) 23.043 6.733 ( -11.673 3.593 9.941) 15.748 7.339 ( -5.266 15.512 -0.259) 16.383 7.549 ( -1.000 21.102 0.032) 21.126 7.957 ( 4.070 9.042 5.322) 11.254 8.744 ( 7.757 4.763 -6.116) 10.966 9.118 ( 0.798 -4.991 -2.054) 5.456 9.557 ( -4.473 6.600 5.309) 9.579 9.951 ( 0.551 5.462 -4.187) 6.905 10.223 ( 0.314 1.674 0.066) 1.705 10.389 ( 1.505 2.995 -4.129) 5.318 11.221 ( -3.116 -13.951 1.697) 14.396 11.475 ( -1.339 -0.085 6.439) 6.577 14.555 ( 2.493 3.046 -0.930) 4.045 14.783 ( 14.036 3.220 1.484) 14.477 15.991 ( 4.125 4.790 0.547) 6.345 16.334 ( 2.936 3.280 -0.245) 4.409 20.099 ( -1.411 -23.709 4.420) 24.158 20.992 ( -1.987 -21.747 -19.071) 28.992======================= Grid point 347 (144/322) =======================q-point: ( 0.23 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.603 ( 2.582 -0.351 10.249) 10.575 2.018 ( 11.084 -16.314 4.218) 20.169 2.578 ( 2.361 -10.422 -3.170) 11.146 2.908 ( -0.912 -5.356 1.816) 5.729 3.079 ( -2.992 -14.144 -3.860) 14.963 3.201 ( 4.547 -6.802 -0.813) 8.222 3.296 ( -1.564 -7.165 1.030) 7.406 3.467 ( 6.441 -15.073 0.744) 16.408 3.614 ( -3.537 -0.085 -1.820) 3.979 3.979 ( 1.328 -13.249 1.664) 13.419 4.216 ( 0.845 -1.038 3.186) 3.455 4.305 ( -1.382 -0.909 0.139) 1.660 4.726 ( -1.100 -4.321 1.806) 4.811 4.939 ( 0.523 3.095 2.259) 3.867 5.319 ( -4.158 -1.674 -2.077) 4.940 5.429 ( 1.053 -4.256 -2.072) 4.849 5.796 ( -0.416 -33.647 -1.527) 33.684 6.322 ( -9.120 -9.191 3.580) 13.434 6.744 ( -14.072 -18.976 1.118) 23.651 6.978 ( -7.294 15.764 -1.121) 17.406 7.182 ( 6.737 17.158 1.011) 18.461 7.876 ( 8.633 3.732 3.119) 9.909 8.605 ( 2.942 10.804 -6.816) 13.109 9.141 ( 1.155 3.166 -0.236) 3.378 9.395 ( -3.360 7.559 6.891) 10.766 9.735 ( -1.290 11.345 -2.734) 11.740 10.225 ( 2.360 8.314 -2.361) 8.959 10.358 ( 4.241 -3.809 -2.110) 6.079 11.480 ( -2.619 -6.640 5.585) 9.063 11.617 ( -4.933 -21.876 -2.034) 22.517 14.540 ( 1.905 -0.153 -0.972) 2.144 14.837 ( 11.084 -0.601 1.445) 11.194 15.939 ( 3.406 2.469 0.571) 4.245 16.298 ( 3.850 2.194 -0.424) 4.452 20.537 ( -1.420 -20.464 3.592) 20.825 21.226 ( -1.337 -7.251 -9.667) 12.158======================= Grid point 348 (145/322) =======================q-point: ( 0.31 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.550 ( 3.592 8.891 7.089) 11.925 2.337 ( 7.724 -10.154 2.452) 12.991 2.673 ( -1.559 -0.543 2.943) 3.375 3.037 ( 1.445 -6.342 3.933) 7.601 3.289 ( -0.854 -8.412 -0.931) 8.506 3.346 ( 4.116 -6.469 -3.831) 8.571 3.421 ( -3.039 -7.362 0.095) 7.965 3.630 ( -5.748 -5.207 -1.781) 7.957 3.793 ( 7.708 -11.903 -0.028) 14.180 4.148 ( 3.490 1.191 -2.106) 4.246 4.248 ( 1.709 -5.410 2.825) 6.338 4.351 ( -0.522 -2.541 0.443) 2.632 4.762 ( -5.058 -0.092 -1.716) 5.342 4.906 ( 5.503 -0.157 3.955) 6.778 5.306 ( -5.738 -0.169 -0.584) 5.770 5.533 ( -0.644 -6.236 -2.257) 6.662 6.205 ( -12.019 -1.412 1.193) 12.160 6.288 ( -6.053 -2.199 0.527) 6.461 6.756 ( -2.063 -1.300 0.684) 2.532 6.967 ( 6.970 7.893 2.315) 10.782 7.226 ( -8.273 -27.431 -2.430) 28.754 7.911 ( 13.116 -0.088 1.275) 13.178 8.378 ( -2.788 10.059 -5.773) 11.928 9.030 ( 0.205 7.471 3.007) 8.056 9.259 ( -1.568 6.508 6.213) 9.134 9.548 ( -0.612 6.764 -1.698) 7.000 10.046 ( 1.865 8.874 -3.987) 9.905 10.417 ( 2.548 0.096 0.942) 2.719 11.666 ( -0.772 -13.263 1.225) 13.342 12.018 ( -5.788 -20.490 -3.115) 21.519 14.573 ( 2.237 -1.955 -0.512) 3.015 14.918 ( 8.267 -1.274 0.795) 8.403 15.948 ( 3.837 -1.193 0.562) 4.058 16.290 ( 3.765 0.962 -0.986) 4.009 20.877 ( -0.809 -14.387 1.595) 14.498 21.277 ( -0.021 -0.293 -3.591) 3.603======================= Grid point 349 (146/322) =======================q-point: ( 0.38 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.350 ( 4.012 13.505 7.641) 16.027 2.516 ( 3.701 -4.336 2.789) 6.346 2.646 ( 0.259 2.168 4.424) 4.933 3.147 ( 0.573 -3.404 3.565) 4.963 3.412 ( -3.345 -5.545 1.412) 6.628 3.486 ( 5.866 -5.187 -0.174) 7.832 3.551 ( -2.592 -7.202 -3.196) 8.295 3.707 ( -4.284 -5.205 0.190) 6.744 4.010 ( 4.862 -6.359 -0.156) 8.007 4.115 ( 2.597 1.923 -1.480) 3.554 4.338 ( 2.390 -1.707 0.934) 3.082 4.371 ( -0.181 0.118 -1.009) 1.032 4.673 ( -6.235 4.121 -2.518) 7.887 5.017 ( 6.069 -5.071 0.020) 7.909 5.279 ( -3.294 -0.240 0.759) 3.389 5.641 ( -1.238 -5.264 -1.853) 5.717 6.010 ( -14.571 6.846 -0.695) 16.114 6.244 ( -0.193 4.151 0.365) 4.171 6.838 ( 3.572 -0.786 3.818) 5.287 6.964 ( 0.888 -3.783 -0.250) 3.894 7.605 ( -4.177 -14.033 -1.195) 14.690 7.976 ( 7.586 2.646 -4.118) 9.028 8.266 ( -0.209 -4.087 0.973) 4.207 8.893 ( -1.157 6.802 4.989) 8.515 9.136 ( -1.536 5.679 5.077) 7.771 9.424 ( 0.007 6.653 -1.444) 6.808 9.919 ( 1.165 3.955 -3.723) 5.555 10.439 ( 0.384 -2.240 1.334) 2.635 11.940 ( 1.822 -12.807 -2.274) 13.134 12.310 ( -5.176 -12.985 -3.191) 14.339 14.634 ( 2.123 -2.760 0.455) 3.512 14.970 ( 4.844 0.071 -0.046) 4.844 16.024 ( 3.978 -3.612 0.178) 5.376 16.290 ( 2.496 0.933 -1.605) 3.110 21.096 ( -0.118 -8.267 -0.009) 8.267 21.252 ( 0.515 2.180 -0.489) 2.293======================= Grid point 350 (147/322) =======================q-point: ( 0.46 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.174 ( 1.706 5.334 9.090) 10.677 2.554 ( -2.265 0.133 6.757) 7.128 2.654 ( 3.538 -0.663 1.209) 3.797 3.191 ( -0.454 -0.873 1.805) 2.056 3.470 ( -5.423 -2.714 3.266) 6.888 3.600 ( 4.054 -2.475 0.901) 4.835 3.640 ( 2.090 -2.699 -2.283) 4.106 3.784 ( -1.882 -4.339 0.717) 4.784 4.078 ( 0.377 0.260 -1.443) 1.514 4.128 ( 4.724 -0.727 1.271) 4.946 4.352 ( -0.671 1.172 -2.729) 3.045 4.364 ( 0.325 -0.388 0.584) 0.773 4.551 ( -6.788 3.444 -2.762) 8.098 5.113 ( 3.739 -1.147 -2.669) 4.735 5.283 ( 1.192 -0.413 0.582) 1.389 5.701 ( -1.770 -1.533 -1.239) 2.649 5.841 ( -5.367 3.558 -0.967) 6.512 6.181 ( 0.724 1.814 0.294) 1.975 6.860 ( 0.972 0.165 3.425) 3.564 7.023 ( 0.085 -1.796 0.045) 1.799 7.713 ( 0.266 0.366 -2.010) 2.061 7.939 ( -3.740 -1.116 -4.844) 6.221 8.494 ( 7.672 -12.396 5.840) 15.704 8.751 ( -3.756 7.537 5.694) 10.165 9.055 ( -2.159 1.708 4.396) 5.187 9.283 ( 0.634 6.202 -3.145) 6.983 9.887 ( 0.640 0.056 -3.110) 3.176 10.498 ( -0.055 -2.351 0.888) 2.513 12.123 ( 0.197 -4.675 -4.228) 6.306 12.463 ( -0.274 -5.183 -2.826) 5.909 14.700 ( 0.956 -2.717 1.359) 3.185 14.972 ( 1.560 1.571 -0.604) 2.295 16.106 ( 1.944 -2.174 -0.406) 2.945 16.274 ( 0.892 1.261 -1.862) 2.420 21.196 ( 0.237 -0.890 -0.200) 0.943 21.221 ( 0.081 -0.401 0.156) 0.438======================= Grid point 351 (148/322) =======================q-point: (-0.46 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.234 ( -3.716 -9.915 8.294) 13.450 2.566 ( -1.522 -1.452 6.546) 6.876 2.664 ( -2.677 0.446 1.000) 2.892 3.195 ( 1.208 0.624 1.568) 2.075 3.469 ( -5.481 0.076 2.685) 6.104 3.611 ( 2.437 3.010 -0.170) 3.877 3.690 ( 5.110 -0.311 0.358) 5.132 3.823 ( -0.578 0.653 -1.579) 1.804 4.056 ( -1.611 1.245 -0.448) 2.085 4.167 ( 5.365 -0.249 3.543) 6.434 4.298 ( -6.016 2.220 -1.848) 6.673 4.364 ( -2.995 -0.459 -2.891) 4.188 4.479 ( 0.041 0.953 -1.508) 1.784 5.081 ( -0.255 4.904 -3.019) 5.764 5.297 ( 4.511 0.845 0.788) 4.657 5.680 ( -1.552 1.980 -0.871) 2.663 5.817 ( 4.946 -1.473 -0.821) 5.226 6.192 ( 1.746 -1.899 0.132) 2.583 6.856 ( -1.063 0.595 3.418) 3.629 7.043 ( -0.302 -0.173 0.134) 0.373 7.686 ( -0.950 0.648 -2.185) 2.469 7.927 ( -2.057 0.940 -3.986) 4.583 8.511 ( -5.215 11.572 4.830) 13.581 8.826 ( 6.743 -11.840 7.052) 15.342 9.067 ( -4.174 -4.100 3.793) 6.973 9.237 ( 2.256 -1.763 -4.099) 5.000 9.888 ( 0.547 -0.105 -2.913) 2.965 10.502 ( -0.297 1.974 0.832) 2.163 12.095 ( -2.866 5.757 -3.840) 7.490 12.502 ( 5.820 2.826 -3.352) 7.286 14.748 ( -1.350 -1.976 1.235) 2.693 14.927 ( -1.154 2.928 -0.518) 3.189 16.102 ( -1.983 2.354 -0.346) 3.097 16.263 ( 0.161 -0.135 -1.782) 1.795 21.182 ( -0.185 1.056 -0.011) 1.072 21.230 ( -0.093 0.667 0.016) 0.673======================= Grid point 352 (149/322) =======================q-point: (-0.38 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.460 ( -8.274 -13.156 6.575) 16.876 2.528 ( -5.413 6.251 1.857) 8.475 2.671 ( -2.310 -3.724 4.506) 6.285 3.187 ( 1.208 1.450 2.574) 3.191 3.395 ( -5.738 5.003 0.456) 7.626 3.538 ( 2.426 4.945 0.076) 5.508 3.691 ( 3.178 4.795 -3.017) 6.496 3.752 ( 2.949 4.522 -1.737) 5.671 4.020 ( -2.381 0.799 1.794) 3.086 4.129 ( -10.160 5.220 -0.602) 11.438 4.236 ( -0.479 2.239 -1.901) 2.975 4.378 ( 4.538 -2.606 1.085) 5.344 4.493 ( 0.383 -1.364 -0.207) 1.432 4.935 ( -0.499 8.180 -0.589) 8.216 5.309 ( 6.739 1.430 0.666) 6.921 5.611 ( -1.769 3.734 -1.416) 4.367 5.957 ( 14.523 -6.740 -0.100) 16.012 6.260 ( 1.362 -3.898 0.158) 4.132 6.831 ( -2.791 2.151 3.690) 5.103 7.019 ( -1.561 1.853 -0.112) 2.425 7.611 ( 3.027 10.993 -1.147) 11.460 7.892 ( -6.375 -2.288 -4.020) 7.876 8.272 ( -1.926 8.895 1.780) 9.274 9.064 ( 2.605 -8.624 6.430) 11.068 9.162 ( -5.659 -7.100 3.109) 9.597 9.354 ( 3.800 -8.123 -3.121) 9.496 9.911 ( 0.300 -3.463 -3.205) 4.728 10.445 ( -0.961 2.741 1.288) 3.177 11.882 ( -2.437 13.066 -1.894) 13.425 12.390 ( 7.759 12.365 -3.907) 15.111 14.754 ( -4.919 0.021 -1.853) 5.256 14.853 ( -2.429 3.007 2.233) 4.464 16.023 ( -3.849 3.230 0.274) 5.032 16.262 ( -1.386 -0.297 -1.418) 2.005 21.105 ( -0.043 7.522 -0.076) 7.523 21.235 ( 0.017 -1.689 -0.356) 1.726======================= Grid point 353 (150/322) =======================q-point: (-0.31 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.601 ( -9.150 -4.497 6.865) 12.291 2.293 ( -8.533 13.649 2.370) 16.270 2.732 ( -0.968 -1.584 2.486) 3.103 3.140 ( -5.177 4.881 4.035) 8.179 3.230 ( -1.279 7.190 -2.048) 7.585 3.457 ( 4.270 5.975 0.506) 7.361 3.523 ( -2.006 9.168 -6.988) 11.701 3.696 ( 4.389 4.745 -1.501) 6.635 3.886 ( -13.702 11.547 -3.805) 18.318 4.022 ( -0.784 -0.880 3.309) 3.512 4.142 ( 1.492 6.706 0.531) 6.890 4.434 ( -0.781 2.587 2.440) 3.641 4.553 ( 4.102 -5.273 2.004) 6.975 4.821 ( 2.835 2.964 2.189) 4.649 5.308 ( 7.350 3.406 -0.665) 8.128 5.518 ( -1.094 4.463 -1.861) 4.957 6.192 ( 12.347 -3.412 1.475) 12.894 6.337 ( 4.659 -1.187 -0.171) 4.811 6.729 ( 0.986 3.408 1.843) 3.998 7.021 ( -5.518 -5.326 1.771) 7.871 7.250 ( 6.356 26.524 -2.691) 27.407 7.889 ( -12.650 -1.971 0.320) 12.807 8.233 ( 5.718 -3.998 -2.598) 7.445 9.228 ( -4.417 -6.545 1.445) 8.027 9.281 ( -2.727 -8.754 5.613) 10.751 9.553 ( 3.204 -10.239 -2.844) 11.099 10.033 ( 0.103 -9.077 -3.897) 9.879 10.410 ( -2.487 0.312 1.276) 2.812 11.592 ( 0.497 14.693 1.272) 14.756 12.097 ( 6.486 20.973 -3.368) 22.210 14.668 ( -7.202 3.937 -3.191) 8.806 14.816 ( -3.845 -0.262 3.543) 5.235 15.955 ( -4.064 1.084 0.583) 4.246 16.260 ( -2.487 -1.102 -0.776) 2.829 20.889 ( -0.402 14.584 1.636) 14.681 21.273 ( 2.134 -1.281 -3.754) 4.504======================= Grid point 354 (151/322) =======================q-point: (-0.23 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.553 ( -6.685 5.467 10.119) 13.304 1.915 ( -10.169 19.580 4.801) 22.580 2.670 ( -5.126 8.917 -3.260) 10.790 2.941 ( -3.293 9.443 1.714) 10.146 3.087 ( 1.406 10.940 -0.643) 11.048 3.294 ( 1.071 9.715 -1.273) 9.856 3.375 ( -1.803 6.701 -2.752) 7.465 3.500 ( -11.967 14.422 -1.838) 18.831 3.669 ( 1.606 1.582 -2.633) 3.466 3.966 ( 0.632 8.123 -0.263) 8.152 4.092 ( 3.015 -0.702 8.053) 8.628 4.338 ( -1.715 4.543 -0.117) 4.858 4.665 ( 0.575 -1.578 3.853) 4.203 4.856 ( 6.684 -2.690 1.936) 7.460 5.246 ( 6.471 6.568 -1.812) 9.396 5.420 ( -1.085 5.093 -2.012) 5.582 5.859 ( -0.955 30.589 -1.839) 30.659 6.464 ( 2.694 4.251 2.711) 5.717 6.702 ( 13.480 17.393 1.480) 22.055 6.991 ( 7.810 -16.775 -1.538) 18.567 7.181 ( -7.091 -13.860 1.542) 15.645 7.868 ( -9.740 -3.608 3.089) 10.837 8.406 ( 7.026 -8.553 -4.409) 11.914 9.256 ( -5.324 0.373 -0.545) 5.364 9.498 ( -4.060 -12.944 5.172) 14.518 9.776 ( 1.821 -11.501 -3.918) 12.286 10.204 ( -0.322 -6.426 -1.928) 6.717 10.392 ( -4.286 -1.680 -3.351) 5.694 11.368 ( 4.316 9.403 5.598) 11.763 11.669 ( 3.930 23.944 -0.896) 24.281 14.539 ( -7.309 4.215 -1.040) 8.501 14.814 ( -6.023 -1.952 1.741) 6.566 15.941 ( -3.753 -1.936 0.608) 4.266 16.281 ( -2.762 -2.768 -0.294) 3.922 20.540 ( -0.635 20.934 3.497) 21.233 21.265 ( 4.998 4.270 -10.202) 12.136======================= Grid point 355 (152/322) =======================q-point: (-0.15 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.369 ( -3.821 12.644 14.471) 19.592 1.460 ( -9.642 20.084 9.935) 24.394 2.223 ( -8.749 30.854 -2.617) 32.177 2.748 ( 0.927 13.197 0.875) 13.258 2.876 ( 0.799 6.828 -2.768) 7.411 3.122 ( -5.227 7.993 2.161) 9.792 3.152 ( -3.869 8.708 -5.872) 11.193 3.266 ( -1.350 7.701 1.492) 7.959 3.673 ( 1.003 0.334 0.745) 1.293 3.796 ( -2.868 7.579 -2.139) 8.381 4.119 ( 2.517 2.617 7.087) 7.963 4.288 ( 2.436 0.100 -0.575) 2.505 4.562 ( -2.424 13.202 1.027) 13.462 4.896 ( 4.251 13.235 0.040) 13.901 5.116 ( 5.828 9.329 -2.724) 11.332 5.210 ( 3.168 7.415 0.337) 8.070 5.464 ( -0.985 3.055 -1.927) 3.744 6.040 ( 0.952 23.274 -4.111) 23.654 6.773 ( 1.429 -5.942 10.871) 12.472 7.374 ( 2.159 -15.156 -0.248) 15.311 7.551 ( 2.293 -25.070 -0.245) 25.176 7.951 ( -6.552 -9.078 5.689) 12.558 8.584 ( 7.163 -5.309 -5.155) 10.299 9.142 ( -2.272 8.876 -1.037) 9.220 9.690 ( -7.694 -7.978 3.564) 11.642 9.993 ( -0.423 -9.024 -5.152) 10.400 10.250 ( -1.572 -4.289 -0.241) 4.574 10.437 ( -3.623 -2.514 -7.550) 8.744 11.222 ( 2.083 11.071 2.260) 11.490 11.364 ( 6.685 5.556 9.869) 13.152 14.427 ( -4.974 3.326 1.253) 6.113 14.825 ( -8.238 -3.063 0.435) 8.800 15.981 ( -3.601 -3.868 0.694) 5.330 16.332 ( -2.487 -3.763 -0.225) 4.516 20.096 ( -0.672 23.847 4.211) 24.225 21.069 ( 6.935 19.262 -20.598) 29.042======================= Grid point 356 (153/322) =======================q-point: (-0.08 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.002 ( -4.252 17.713 14.045) 23.002 1.134 ( -3.349 21.023 15.916) 26.580 1.541 ( -4.893 26.132 14.649) 30.355 2.485 ( 0.337 11.946 -5.898) 13.327 2.774 ( -1.135 3.708 -6.603) 7.658 2.967 ( -2.451 4.987 -1.249) 5.695 3.034 ( -0.197 1.900 4.195) 4.609 3.132 ( -1.260 5.168 1.311) 5.478 3.606 ( 0.309 8.286 3.130) 8.863 3.651 ( -5.875 3.489 -5.268) 8.628 4.025 ( 2.798 10.358 4.151) 11.505 4.156 ( -1.783 18.186 -0.850) 18.293 4.324 ( 3.856 2.461 -0.495) 4.601 4.531 ( -5.750 10.580 -7.642) 14.261 5.094 ( 3.551 0.821 -0.690) 3.709 5.242 ( 12.086 -1.001 2.658) 12.415 5.499 ( 2.486 -4.130 0.297) 4.830 5.732 ( -6.024 5.161 -3.211) 8.558 6.882 ( -3.873 -3.976 12.226) 13.427 7.632 ( 1.207 -9.748 0.116) 9.823 8.019 ( -3.492 -19.815 0.844) 20.138 8.166 ( -4.586 -14.909 5.561) 16.560 8.661 ( 5.482 0.265 -4.247) 6.940 8.903 ( 2.386 14.308 -1.350) 14.569 9.733 ( -5.846 -1.468 2.260) 6.437 10.012 ( -10.024 2.650 -9.054) 13.765 10.340 ( -3.446 0.766 -2.085) 4.100 10.507 ( 0.289 -13.599 -1.484) 13.683 11.153 ( 2.463 -1.797 1.721) 3.501 11.425 ( 2.343 -5.823 10.337) 12.094 14.392 ( 11.340 0.191 5.459) 12.587 14.829 ( -10.264 -2.494 -0.270) 10.566 16.037 ( -2.568 -3.141 0.994) 4.177 16.386 ( -1.779 -2.794 -0.396) 3.336 19.669 ( -0.414 18.150 2.369) 18.309 20.419 ( 5.002 48.000 -24.798) 54.258======================= Grid point 358 (154/322) =======================q-point: ( 0.08 0.08 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.887 ( 13.178 -0.000 13.097) 18.579 1.096 ( 22.352 -0.000 14.937) 26.884 1.519 ( 11.003 -0.000 20.705) 23.447 2.334 ( 2.644 -0.000 -9.002) 9.382 2.741 ( 9.365 -0.000 -8.953) 12.956 2.894 ( -1.933 0.000 2.923) 3.505 3.036 ( -3.717 0.000 -1.148) 3.890 3.053 ( -5.996 0.000 7.854) 9.881 3.473 ( -1.835 0.000 3.607) 4.047 3.490 ( -5.552 0.000 -2.869) 6.250 3.802 ( 1.984 -0.000 -1.810) 2.686 4.028 ( -1.264 0.000 2.640) 2.928 4.196 ( -11.361 0.000 -1.616) 11.476 4.396 ( 5.712 -0.000 0.361) 5.724 5.115 ( -5.243 0.000 -1.574) 5.474 5.353 ( -0.527 0.000 -0.273) 0.594 5.568 ( 1.848 -0.000 -1.072) 2.136 5.647 ( -4.040 0.000 -2.956) 5.005 6.866 ( -9.689 0.000 12.907) 16.139 7.696 ( -5.833 0.000 0.458) 5.851 8.077 ( -11.235 0.000 5.935) 12.706 8.325 ( -0.473 0.000 4.104) 4.132 8.667 ( 4.266 -0.000 -0.050) 4.266 8.874 ( 11.221 -0.000 -7.249) 13.359 9.728 ( -3.273 0.000 2.057) 3.866 9.746 ( 0.667 -0.000 0.897) 1.118 10.337 ( 3.326 -0.000 -2.264) 4.024 10.674 ( -0.451 0.000 -0.931) 1.035 11.044 ( -20.585 0.000 2.266) 20.710 11.502 ( 4.731 -0.000 4.842) 6.769 14.641 ( -6.712 0.000 -4.909) 8.316 15.244 ( 39.197 -0.000 -12.062) 41.011 16.263 ( 28.412 -0.000 -8.377) 29.621 16.422 ( 3.469 -0.000 -0.495) 3.504 19.463 ( -0.067 0.000 0.137) 0.153 19.683 ( -0.016 0.000 -0.115) 0.116======================= Grid point 359 (155/322) =======================q-point: ( 0.15 0.08 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.294 ( 12.012 -20.864 10.181) 26.139 1.353 ( 12.409 -10.099 17.034) 23.369 1.787 ( 18.952 -17.932 3.199) 26.287 2.478 ( 2.368 -12.376 -6.402) 14.134 2.795 ( 3.053 -1.131 -2.011) 3.826 2.963 ( 6.078 -6.107 -1.029) 8.677 3.022 ( -3.084 -1.757 6.977) 7.828 3.061 ( -4.366 -5.167 -1.174) 6.866 3.495 ( -3.969 -5.013 -0.024) 6.394 3.601 ( -2.532 -9.027 2.238) 9.639 4.051 ( -2.864 -3.271 3.062) 5.318 4.123 ( -1.285 -23.325 -3.076) 23.562 4.260 ( -4.078 -11.895 0.214) 12.576 4.468 ( 4.326 -7.234 -0.010) 8.429 5.072 ( -8.735 -0.824 -3.032) 9.282 5.336 ( -3.358 0.700 0.254) 3.440 5.501 ( -3.616 7.369 -1.951) 8.436 5.653 ( 1.255 -6.904 -0.917) 7.077 6.779 ( -11.225 4.624 12.901) 17.714 7.557 ( -7.378 9.826 0.290) 12.291 7.888 ( -4.478 13.733 3.652) 14.899 8.183 ( 1.501 10.673 5.085) 11.918 8.791 ( 6.762 -4.065 -3.342) 8.569 8.988 ( 4.183 -6.831 -5.429) 9.677 9.658 ( 0.636 4.427 3.888) 5.926 9.880 ( 1.138 -8.396 -1.345) 8.579 10.347 ( 2.805 2.768 -0.701) 4.002 10.479 ( -1.782 11.427 -1.381) 11.647 11.019 ( -10.526 -5.916 1.826) 12.212 11.510 ( 0.827 2.199 5.284) 5.783 14.594 ( -1.783 1.178 -4.399) 4.891 15.155 ( 28.441 19.258 -3.726) 34.549 16.195 ( 16.762 12.965 -2.590) 21.349 16.417 ( 4.879 2.759 -0.411) 5.620 19.668 ( -0.915 -18.261 2.307) 18.429 20.291 ( -2.955 -43.125 -17.613) 46.677======================= Grid point 360 (156/322) =======================q-point: ( 0.23 0.08 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.567 ( 3.559 -6.471 14.857) 16.591 1.777 ( 16.249 -17.248 5.340) 24.291 2.303 ( 12.368 -20.081 -6.904) 24.574 2.751 ( 1.414 -14.110 -4.367) 14.838 2.821 ( -5.770 -4.124 2.782) 7.618 3.110 ( 1.531 -5.680 3.032) 6.618 3.148 ( 0.610 -7.491 -0.809) 7.559 3.232 ( 9.825 -12.621 0.889) 16.019 3.594 ( -2.822 -2.531 2.010) 4.291 3.732 ( -0.133 -10.156 0.995) 10.205 4.133 ( -1.573 -5.556 3.279) 6.640 4.307 ( -2.131 -0.877 -0.904) 2.475 4.582 ( 1.927 -12.964 1.729) 13.220 4.842 ( -3.471 -18.456 2.474) 18.942 5.140 ( -3.941 -20.256 -5.876) 21.456 5.285 ( -4.638 1.157 -1.073) 4.899 5.396 ( -2.326 0.733 -2.000) 3.154 5.905 ( -4.335 -20.719 -1.354) 21.211 6.606 ( -14.847 6.628 10.922) 19.587 7.250 ( -9.111 15.844 -0.584) 18.286 7.565 ( 3.445 17.706 0.818) 18.057 8.027 ( 4.364 7.104 5.369) 9.916 8.789 ( 3.539 6.580 -8.796) 11.541 9.134 ( 2.919 -5.359 -0.966) 6.178 9.544 ( -0.767 7.895 5.411) 9.602 9.949 ( 0.395 7.949 -2.029) 8.214 10.240 ( 2.608 -2.929 0.455) 3.948 10.400 ( 2.371 4.020 -3.320) 5.727 11.180 ( -4.304 -15.682 0.945) 16.289 11.454 ( -5.332 1.904 4.593) 7.290 14.567 ( 2.730 1.283 -2.153) 3.707 14.999 ( 19.221 9.562 0.593) 21.476 16.061 ( 7.638 7.567 0.132) 10.753 16.381 ( 5.325 3.561 -0.442) 6.421 20.095 ( -1.678 -23.652 4.183) 24.078 20.899 ( -4.319 -23.819 -15.681) 28.843======================= Grid point 361 (157/322) =======================q-point: ( 0.31 0.08 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.677 ( 4.981 0.153 9.253) 10.509 2.171 ( 12.899 -13.281 3.199) 18.788 2.601 ( 2.144 -7.123 -0.845) 7.487 2.908 ( -0.415 -7.634 3.417) 8.374 3.041 ( -1.286 -14.151 -4.314) 14.850 3.245 ( 2.715 -6.295 -0.317) 6.863 3.291 ( 0.008 -7.054 1.326) 7.178 3.501 ( -2.722 -5.656 -1.114) 6.375 3.632 ( 9.001 -7.453 0.305) 11.690 4.020 ( 5.422 -14.173 1.653) 15.265 4.235 ( 1.287 -2.209 1.980) 3.234 4.283 ( -2.518 -0.922 0.979) 2.854 4.703 ( -3.958 -2.038 0.881) 4.538 4.937 ( -1.822 -0.453 0.736) 2.016 5.263 ( -4.327 -1.478 -2.705) 5.312 5.405 ( -3.604 -4.121 -2.462) 6.003 5.793 ( 0.478 -34.661 -1.046) 34.680 6.225 ( -9.923 -0.909 5.433) 11.349 6.562 ( -16.714 -24.004 -0.190) 29.250 6.890 ( -6.917 13.944 -0.782) 15.585 7.279 ( 9.063 14.963 1.884) 17.595 7.987 ( 8.080 1.446 3.523) 8.932 8.582 ( -2.435 12.332 -9.349) 15.666 9.179 ( 5.047 3.960 0.772) 6.461 9.388 ( -1.613 7.315 7.354) 10.498 9.712 ( -1.533 11.238 -1.605) 11.455 10.245 ( 2.392 9.826 -2.826) 10.500 10.410 ( 5.171 -4.563 -0.995) 6.967 11.444 ( -6.054 -6.812 3.823) 9.883 11.553 ( -4.986 -21.899 -1.433) 22.505 14.573 ( 4.563 0.011 -0.422) 4.582 14.986 ( 13.018 2.516 0.495) 13.268 15.991 ( 5.115 3.240 0.603) 6.085 16.348 ( 4.942 2.661 -0.846) 5.676 20.531 ( -1.480 -20.525 3.362) 20.851 21.176 ( -2.292 -9.715 -8.248) 12.948======================= Grid point 362 (158/322) =======================q-point: ( 0.38 0.08 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.633 ( 6.678 9.252 7.730) 13.782 2.442 ( 8.511 -7.412 2.510) 11.562 2.669 ( -0.714 -0.822 3.669) 3.827 3.071 ( 1.371 -6.464 5.483) 8.587 3.248 ( -4.172 -8.555 -1.794) 9.686 3.390 ( 4.358 -7.435 -3.146) 9.174 3.422 ( 2.660 -5.426 0.675) 6.080 3.556 ( -5.963 -6.365 -0.875) 8.766 3.885 ( 7.769 -9.586 0.768) 12.363 4.180 ( 2.342 3.080 -1.322) 4.089 4.274 ( 1.912 -6.192 -0.178) 6.483 4.359 ( 1.663 -2.791 1.980) 3.805 4.677 ( -8.195 0.957 -3.484) 8.956 4.951 ( 0.685 -2.928 1.682) 3.446 5.263 ( -1.608 -0.733 -0.894) 1.981 5.493 ( -4.549 -7.105 -2.401) 8.771 6.019 ( -17.584 6.145 1.884) 18.722 6.271 ( 0.306 -7.531 0.167) 7.539 6.733 ( -1.989 -4.996 0.102) 5.378 7.029 ( -1.515 -7.133 1.629) 7.471 7.168 ( 3.314 -13.120 0.125) 13.532 8.055 ( 10.349 -1.221 0.939) 10.463 8.304 ( -5.967 10.090 -6.609) 13.457 9.062 ( 3.040 9.098 4.164) 10.457 9.260 ( -1.534 6.709 5.750) 8.968 9.538 ( -0.368 6.126 -0.978) 6.215 10.055 ( 1.854 9.213 -4.026) 10.224 10.444 ( 1.197 1.676 1.182) 2.374 11.655 ( -1.199 -15.489 -0.273) 15.538 11.941 ( -6.041 -20.061 -1.818) 21.029 14.615 ( 4.900 -1.296 0.552) 5.098 15.019 ( 8.462 1.146 -0.235) 8.542 16.001 ( 4.869 -1.049 0.605) 5.018 16.330 ( 3.592 1.743 -1.520) 4.272 20.873 ( -0.674 -14.528 1.509) 14.622 21.264 ( -0.344 -1.758 -3.234) 3.697======================= Grid point 363 (159/322) =======================q-point: ( 0.46 0.08 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.437 ( 6.300 14.754 8.666) 18.234 2.553 ( 0.270 -0.776 4.994) 5.061 2.684 ( 4.114 0.224 2.639) 4.893 3.166 ( 0.770 -2.275 3.321) 4.098 3.353 ( -5.945 -5.846 1.147) 8.416 3.544 ( 2.744 -5.871 0.547) 6.503 3.567 ( 6.547 -6.169 -1.771) 9.168 3.659 ( -4.121 -6.579 0.205) 7.766 4.063 ( 4.262 -3.955 -0.222) 5.819 4.134 ( 0.597 0.808 1.040) 1.446 4.350 ( 0.657 -1.315 -2.762) 3.128 4.379 ( 0.122 1.078 0.872) 1.392 4.568 ( -8.283 3.493 -3.391) 9.608 5.056 ( 1.405 -5.342 -2.458) 6.046 5.281 ( 2.047 -1.119 0.520) 2.390 5.600 ( -4.064 -6.246 -1.670) 7.637 5.832 ( -14.713 2.457 -0.643) 14.931 6.250 ( 0.878 4.295 0.238) 4.391 6.887 ( 1.872 -4.512 1.320) 5.061 7.005 ( 6.539 2.301 2.541) 7.383 7.561 ( -2.488 -16.778 -0.554) 16.970 7.970 ( -4.587 8.455 -6.974) 11.882 8.321 ( 7.079 -9.697 3.831) 12.602 8.906 ( 0.353 8.716 5.374) 10.245 9.130 ( -2.106 5.861 4.560) 7.719 9.417 ( -0.379 6.782 -1.369) 6.929 9.921 ( 1.206 4.275 -3.746) 5.811 10.441 ( -0.797 -2.038 1.408) 2.602 11.949 ( 1.313 -12.733 -3.132) 13.178 12.246 ( -4.373 -14.683 -2.069) 15.460 14.674 ( 4.164 -1.671 1.382) 4.695 15.025 ( 4.563 2.113 -0.783) 5.089 16.073 ( 4.399 -2.784 0.075) 5.207 16.308 ( 1.400 1.864 -2.028) 3.090 21.095 ( 0.034 -8.357 0.007) 8.357 21.255 ( 0.321 1.807 -0.547) 1.915======================= Grid point 364 (160/322) =======================q-point: ( 0.54 0.08 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.228 ( 2.363 8.541 9.112) 12.711 2.548 ( -2.441 0.124 6.897) 7.317 2.689 ( 1.519 1.940 0.965) 2.646 3.202 ( 0.987 -0.792 2.299) 2.625 3.415 ( -3.639 -3.219 1.664) 5.135 3.641 ( 1.674 -1.222 1.245) 2.418 3.686 ( 5.224 -3.367 -0.381) 6.226 3.768 ( -0.240 -5.389 -0.380) 5.408 4.068 ( -1.588 1.116 -1.029) 2.197 4.185 ( 2.675 -1.641 3.053) 4.378 4.309 ( -6.233 3.466 -2.236) 7.474 4.356 ( 0.318 0.413 -1.934) 2.003 4.489 ( -1.604 0.881 -1.689) 2.491 5.112 ( -1.542 -0.449 -4.097) 4.400 5.325 ( 4.459 -0.974 0.227) 4.570 5.664 ( -3.509 -2.297 -0.772) 4.264 5.772 ( -5.436 -2.671 -0.918) 6.126 6.195 ( 1.363 1.430 -0.075) 1.977 6.915 ( 5.782 2.404 2.920) 6.909 7.029 ( 1.272 -0.765 0.908) 1.740 7.702 ( -1.337 1.851 -2.476) 3.368 7.868 ( -4.993 -4.049 -3.310) 7.231 8.608 ( 7.933 -12.197 6.017) 15.745 8.727 ( -3.544 9.227 4.961) 11.059 9.037 ( -3.010 2.389 3.743) 5.365 9.279 ( 0.412 5.431 -3.059) 6.247 9.886 ( 0.850 0.143 -3.043) 3.163 10.495 ( -0.863 -2.465 0.856) 2.748 12.103 ( -0.930 -3.071 -3.744) 4.931 12.461 ( 1.200 -8.408 -3.062) 9.028 14.723 ( 2.197 -1.072 1.730) 2.995 14.988 ( 1.642 3.225 -0.907) 3.731 16.127 ( 1.976 0.077 -0.539) 2.050 16.271 ( -0.317 1.393 -1.939) 2.408 21.197 ( 0.149 -0.990 -0.278) 1.039 21.223 ( 0.116 -0.038 0.190) 0.226======================= Grid point 365 (161/322) =======================q-point: (-0.38 0.08 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.215 ( -3.842 -6.251 7.389) 10.413 2.569 ( -1.480 -1.999 6.421) 6.886 2.627 ( -3.663 3.157 0.576) 4.870 3.215 ( 0.039 0.483 3.100) 3.138 3.433 ( -0.970 0.801 0.461) 1.340 3.619 ( -1.230 2.964 -0.244) 3.219 3.764 ( 7.094 -0.537 0.625) 7.142 3.819 ( 0.894 0.838 -2.371) 2.669 4.029 ( -3.057 1.410 0.124) 3.369 4.153 ( -9.836 3.453 -1.023) 10.474 4.253 ( 2.310 0.062 0.653) 2.401 4.364 ( 3.016 -1.067 0.388) 3.223 4.481 ( 0.151 -0.241 -1.135) 1.170 5.051 ( -2.614 4.412 -2.941) 5.912 5.362 ( 5.706 0.210 -0.051) 5.710 5.647 ( -3.282 1.523 -0.216) 3.625 5.870 ( 3.858 -7.728 -0.344) 8.644 6.212 ( 1.492 -2.009 -0.379) 2.531 6.892 ( 5.204 3.907 3.598) 7.436 7.038 ( -0.672 0.165 0.083) 0.697 7.647 ( -4.758 -0.417 -2.291) 5.297 7.902 ( -0.016 0.900 -2.136) 2.318 8.474 ( -3.432 12.186 3.083) 13.030 8.914 ( 4.234 -11.253 7.382) 14.108 9.023 ( -4.969 -2.855 2.629) 6.305 9.252 ( 2.328 -2.821 -3.678) 5.187 9.887 ( 0.802 0.029 -2.850) 2.961 10.497 ( -1.028 1.959 0.706) 2.323 12.056 ( -1.743 6.105 -2.662) 6.884 12.552 ( 4.655 0.892 -4.456) 6.505 14.739 ( -0.827 0.291 0.592) 1.058 14.919 ( -0.055 4.026 0.004) 4.026 16.079 ( -1.741 4.050 -0.396) 4.427 16.255 ( -0.417 0.178 -1.518) 1.584 21.181 ( -0.017 1.104 0.057) 1.106 21.228 ( -0.177 0.840 -0.016) 0.858======================= Grid point 366 (162/322) =======================q-point: (-0.31 0.08 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.389 ( -7.217 -11.576 5.649) 14.765 2.476 ( -4.091 8.459 1.241) 9.478 2.661 ( -1.926 -4.766 4.610) 6.905 3.186 ( -3.176 2.293 4.155) 5.710 3.355 ( -0.832 6.271 -1.202) 6.439 3.541 ( -1.771 3.460 -2.164) 4.449 3.704 ( 2.289 8.332 -4.554) 9.767 3.813 ( 6.726 2.926 0.270) 7.340 3.974 ( -9.549 3.998 -1.444) 10.452 4.012 ( -3.281 2.633 0.547) 4.243 4.241 ( 1.069 2.591 -0.938) 2.955 4.441 ( 2.069 -2.349 4.362) 5.369 4.497 ( 2.270 -2.364 -0.022) 3.277 4.927 ( -0.721 6.033 -0.251) 6.081 5.387 ( 6.665 0.935 -0.089) 6.731 5.581 ( -2.753 3.143 -0.339) 4.192 6.106 ( 10.386 -11.770 0.039) 15.697 6.276 ( 1.187 -3.475 -0.205) 3.678 6.830 ( 0.614 4.787 4.398) 6.529 7.000 ( -1.323 3.320 -0.968) 3.703 7.628 ( -0.426 3.966 -1.048) 4.125 7.809 ( -4.657 5.313 -2.410) 7.465 8.275 ( 1.309 5.871 0.519) 6.037 9.078 ( -3.939 -5.876 1.374) 7.207 9.122 ( -2.083 -7.613 6.770) 10.399 9.386 ( 3.275 -8.413 -2.711) 9.426 9.908 ( 0.764 -3.151 -3.113) 4.495 10.433 ( -1.550 2.995 1.017) 3.522 11.861 ( -0.409 12.175 -0.696) 12.201 12.450 ( 4.802 11.738 -5.037) 13.646 14.697 ( -3.649 2.591 -2.228) 4.999 14.843 ( -0.727 3.432 2.536) 4.329 15.983 ( -3.003 3.729 0.199) 4.792 16.243 ( -0.993 0.338 -1.004) 1.452 21.104 ( -0.089 7.563 -0.056) 7.564 21.235 ( 0.179 -2.084 -0.357) 2.122======================= Grid point 367 (163/322) =======================q-point: (-0.23 0.08 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.533 ( -6.173 -5.176 6.633) 10.435 2.226 ( -4.196 15.056 2.813) 15.881 2.721 ( -1.881 -0.702 1.636) 2.590 3.077 ( -5.980 6.905 2.770) 9.546 3.233 ( 1.362 5.238 -0.387) 5.427 3.445 ( -4.476 4.943 -6.466) 9.289 3.527 ( 4.664 9.843 -1.723) 11.028 3.707 ( -6.858 12.318 -1.396) 14.167 3.753 ( -1.296 6.777 -3.546) 7.758 4.045 ( 2.651 -2.126 2.112) 4.001 4.163 ( 1.327 5.917 2.350) 6.504 4.413 ( -2.806 3.528 0.657) 4.555 4.623 ( 5.432 -4.766 5.160) 8.880 4.851 ( 0.821 0.928 1.392) 1.864 5.383 ( 6.234 3.756 -0.802) 7.322 5.496 ( -1.936 3.945 -0.995) 4.505 6.268 ( 1.799 7.830 -0.093) 8.034 6.431 ( 8.973 -9.908 0.900) 13.397 6.750 ( 1.114 -0.311 3.237) 3.437 6.950 ( -6.127 -3.411 -0.076) 7.013 7.328 ( 7.151 25.943 -2.610) 27.037 7.752 ( -10.099 -2.928 0.133) 10.516 8.297 ( 6.290 -5.149 -1.714) 8.307 9.164 ( -6.037 -5.369 -0.209) 8.082 9.273 ( -2.400 -8.763 6.569) 11.212 9.572 ( 1.629 -9.524 -3.129) 10.156 10.027 ( 0.857 -8.777 -3.715) 9.569 10.384 ( -2.063 1.356 0.730) 2.574 11.611 ( 1.600 12.729 2.505) 13.071 12.140 ( 2.870 21.033 -4.249) 21.649 14.598 ( -3.449 4.497 -2.173) 6.070 14.789 ( -2.222 1.656 2.660) 3.841 15.916 ( -2.617 1.160 0.447) 2.897 16.236 ( -1.103 -0.624 -0.424) 1.336 20.888 ( -0.608 14.433 1.694) 14.544 21.284 ( 1.759 -1.914 -3.984) 4.757======================= Grid point 368 (164/322) =======================q-point: (-0.15 0.08 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.532 ( -2.709 3.705 10.797) 11.732 1.858 ( -2.129 20.815 5.581) 21.655 2.605 ( -3.334 12.498 -4.174) 13.592 2.924 ( -1.244 5.680 1.686) 6.054 3.104 ( 1.599 11.182 0.513) 11.307 3.269 ( -5.325 7.840 -9.808) 13.639 3.327 ( -2.322 15.608 1.458) 15.847 3.408 ( -3.322 7.872 1.321) 8.645 3.676 ( 0.547 1.135 -2.328) 2.647 3.970 ( -0.069 10.194 0.459) 10.205 4.151 ( 2.787 -1.626 6.371) 7.142 4.323 ( -0.844 3.364 -0.164) 3.472 4.688 ( 1.502 1.796 3.936) 4.580 4.913 ( 1.918 -4.854 1.649) 5.473 5.315 ( 6.377 5.934 -1.015) 8.770 5.402 ( -1.060 4.933 -1.490) 5.261 5.837 ( -1.671 31.173 -1.997) 31.282 6.466 ( -3.128 12.102 1.323) 12.570 6.833 ( 6.936 13.450 2.920) 15.412 7.067 ( 4.619 -15.503 -1.094) 16.214 7.116 ( -4.161 -17.756 0.349) 18.240 7.785 ( -4.959 -5.193 2.425) 7.579 8.483 ( 8.076 -8.512 -3.489) 12.241 9.197 ( -4.355 -0.676 -1.040) 4.528 9.460 ( -5.025 -10.892 5.559) 13.221 9.774 ( 0.220 -11.262 -4.198) 12.021 10.200 ( 0.597 -6.125 -1.706) 6.386 10.344 ( -1.808 -0.005 -3.701) 4.119 11.430 ( 2.978 7.698 6.218) 10.334 11.692 ( 0.473 23.226 -1.337) 23.269 14.496 ( -0.187 4.218 0.480) 4.250 14.758 ( -3.908 0.073 0.647) 3.962 15.912 ( -1.509 -1.787 0.548) 2.402 16.260 ( -0.686 -2.369 -0.131) 2.470 20.542 ( -0.941 20.704 3.666) 21.047 21.278 ( 2.844 4.049 -10.830) 11.907======================= Grid point 369 (165/322) =======================q-point: (-0.08 0.08 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.411 ( 2.872 11.919 14.879) 19.279 1.444 ( 1.333 19.713 11.062) 22.644 2.167 ( 0.385 29.982 -3.099) 30.144 2.760 ( 0.419 14.708 0.485) 14.722 2.871 ( 0.285 7.539 -2.750) 8.030 3.034 ( -4.691 6.550 -4.187) 9.080 3.141 ( -0.103 7.060 0.750) 7.100 3.249 ( -2.491 7.441 1.176) 7.935 3.674 ( -1.820 0.660 0.925) 2.146 3.759 ( -2.024 9.035 -1.572) 9.391 4.146 ( -0.908 3.644 5.033) 6.280 4.318 ( 2.122 -1.678 0.081) 2.706 4.554 ( 0.409 14.354 0.375) 14.365 4.883 ( -3.651 18.632 0.106) 18.987 5.167 ( 3.998 10.663 -3.108) 11.804 5.297 ( 9.126 0.539 1.312) 9.235 5.425 ( -4.618 2.006 -1.410) 5.229 6.009 ( -3.344 23.447 -3.673) 23.968 6.795 ( -4.068 -3.165 10.063) 11.306 7.375 ( -1.453 -15.373 -0.070) 15.442 7.567 ( -0.429 -24.038 -0.434) 24.046 7.918 ( -1.079 -9.701 5.318) 11.116 8.663 ( 8.660 -4.503 -4.740) 10.851 9.123 ( -0.460 6.689 -1.837) 6.952 9.612 ( -7.429 -6.748 4.752) 11.104 9.967 ( -0.578 -6.094 -5.710) 8.371 10.230 ( -1.381 -4.019 -0.325) 4.262 10.395 ( -0.278 -2.337 -5.427) 5.916 11.237 ( -0.635 12.326 2.160) 12.530 11.446 ( 2.422 2.310 8.235) 8.890 14.465 ( 8.625 0.429 3.545) 9.335 14.742 ( -4.594 -1.074 -1.125) 4.850 15.964 ( 0.260 -3.594 0.717) 3.674 16.317 ( 0.102 -3.413 -0.195) 3.420 20.100 ( -1.046 23.781 4.425) 24.212 21.056 ( 2.153 19.953 -20.994) 29.043======================= Grid point 372 (166/322) =======================q-point: ( 0.15 0.15 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.117 ( 19.465 -0.000 9.693) 21.745 1.355 ( 10.982 -0.000 19.998) 22.815 1.768 ( 26.044 -0.000 1.869) 26.111 2.346 ( 4.080 -0.000 -8.621) 9.538 2.829 ( 1.170 -0.000 -1.446) 1.860 2.877 ( -2.586 0.000 3.103) 4.039 2.971 ( -6.822 0.000 -1.414) 6.967 3.042 ( 8.224 -0.000 5.593) 9.946 3.442 ( -1.994 0.000 1.092) 2.274 3.460 ( -2.438 0.000 4.054) 4.731 3.821 ( 2.274 -0.000 -2.143) 3.125 3.999 ( -4.408 0.000 2.700) 5.169 4.126 ( -1.326 0.000 -0.399) 1.384 4.445 ( 1.855 -0.000 -0.436) 1.905 4.998 ( -12.443 0.000 -2.354) 12.663 5.328 ( -2.880 0.000 0.946) 3.031 5.532 ( -8.965 0.000 -3.114) 9.491 5.619 ( 0.833 -0.000 -1.527) 1.740 6.789 ( -10.103 0.000 14.571) 17.730 7.612 ( -8.546 0.000 0.655) 8.571 8.004 ( -5.463 0.000 7.425) 9.218 8.334 ( -0.172 0.000 3.528) 3.533 8.730 ( 6.246 -0.000 -0.048) 6.247 8.953 ( 6.657 -0.000 -8.892) 11.108 9.756 ( 0.629 -0.000 0.547) 0.833 9.761 ( 6.101 -0.000 3.649) 7.110 10.381 ( 5.129 -0.000 -1.832) 5.446 10.665 ( -0.577 0.000 -0.749) 0.946 10.823 ( -18.135 0.000 2.224) 18.271 11.553 ( 0.021 -0.000 4.168) 4.168 14.596 ( 2.191 -0.000 -4.277) 4.806 15.493 ( 13.328 -0.000 -9.256) 16.227 16.473 ( 7.283 -0.000 -0.866) 7.334 16.617 ( 34.196 -0.000 -21.128) 40.196 19.462 ( -0.087 0.000 0.140) 0.165 19.682 ( -0.040 0.000 -0.111) 0.118======================= Grid point 373 (167/322) =======================q-point: ( 0.23 0.15 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.465 ( 9.912 -11.338 13.811) 20.434 1.535 ( 12.574 -14.515 10.740) 22.003 2.052 ( 26.285 -12.544 -5.853) 29.707 2.492 ( 3.472 -11.757 -6.417) 13.837 2.763 ( -7.700 0.905 2.900) 8.278 2.962 ( -4.200 -7.209 3.521) 9.056 2.992 ( -6.912 -6.210 -1.474) 9.408 3.176 ( 21.901 -4.079 2.019) 22.369 3.484 ( 1.810 -5.440 4.573) 7.334 3.575 ( -2.976 -8.479 2.354) 9.289 4.027 ( -2.665 -4.448 2.646) 5.821 4.097 ( -0.595 -19.736 -2.630) 19.920 4.249 ( 0.203 -15.160 1.705) 15.257 4.493 ( 0.005 -7.049 -1.207) 7.151 4.928 ( -13.420 -1.586 -3.177) 13.882 5.292 ( -5.124 1.855 0.367) 5.462 5.423 ( -6.968 3.733 -2.589) 8.318 5.648 ( -2.845 -4.700 -1.763) 5.770 6.696 ( -9.717 6.137 14.935) 18.845 7.458 ( -9.446 10.186 0.409) 13.897 7.875 ( -0.188 11.308 4.209) 12.068 8.212 ( 0.645 9.202 4.505) 10.265 8.851 ( 5.265 -2.731 -4.994) 7.753 9.009 ( 2.629 -5.578 -4.659) 7.729 9.695 ( 3.215 5.464 2.922) 6.981 9.913 ( 4.428 -8.026 1.112) 9.234 10.369 ( -0.032 9.475 0.429) 9.485 10.461 ( 0.559 4.409 -1.749) 4.776 10.912 ( -8.322 -10.045 0.952) 13.079 11.500 ( -5.143 4.139 2.836) 7.185 14.609 ( 6.530 0.848 -2.312) 6.978 15.382 ( 13.925 14.572 -5.206) 20.817 16.406 ( 20.196 20.875 -6.555) 29.776 16.492 ( 8.488 4.686 -1.333) 9.787 19.664 ( -1.053 -18.152 2.064) 18.299 20.203 ( -3.850 -39.109 -12.364) 41.197======================= Grid point 374 (168/322) =======================q-point: ( 0.31 0.15 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.660 ( 5.306 -5.741 12.041) 14.356 1.977 ( 15.603 -16.011 4.014) 22.714 2.434 ( 12.137 -12.403 -4.739) 17.989 2.742 ( -5.399 -10.423 0.610) 11.754 2.781 ( 2.796 -8.729 -2.064) 9.395 3.098 ( -3.678 -8.277 0.829) 9.095 3.122 ( -2.689 -9.665 1.407) 10.131 3.399 ( 11.225 -6.209 0.230) 12.830 3.602 ( 3.672 -1.627 1.598) 4.323 3.773 ( 8.322 -13.940 4.388) 16.818 4.124 ( -1.719 -6.225 2.754) 7.020 4.285 ( -0.764 -1.675 -0.611) 1.940 4.615 ( 1.911 -10.133 3.147) 10.782 4.773 ( -8.838 -14.429 -0.162) 16.922 5.063 ( -5.464 -27.688 -5.558) 28.764 5.221 ( -7.885 -1.680 -2.501) 8.441 5.352 ( -1.978 0.397 -1.073) 2.285 5.827 ( -9.016 -19.727 -2.030) 21.785 6.482 ( -12.099 11.279 12.652) 20.825 7.140 ( -9.103 15.347 -0.332) 17.846 7.628 ( 6.643 15.031 1.316) 16.486 8.083 ( 2.222 4.776 5.285) 7.462 8.770 ( -1.258 9.069 -10.877) 14.218 9.178 ( 4.600 -6.708 0.273) 8.138 9.571 ( 2.517 9.234 4.992) 10.795 9.941 ( -1.212 11.115 -0.240) 11.184 10.284 ( 4.326 -7.669 0.553) 8.823 10.421 ( 2.738 5.395 -2.426) 6.519 11.133 ( -3.910 -16.874 0.461) 17.327 11.378 ( -9.490 2.858 2.182) 10.148 14.625 ( 7.969 1.604 -0.144) 8.130 15.195 ( 14.108 10.674 -1.487) 17.753 16.164 ( 9.891 11.440 -0.639) 15.137 16.450 ( 6.579 4.375 -0.896) 7.952 20.087 ( -1.774 -23.629 3.772) 23.994 20.802 ( -4.655 -25.490 -11.948) 28.533======================= Grid point 375 (169/322) =======================q-point: ( 0.38 0.15 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.778 ( 7.577 -0.041 8.494) 11.382 2.329 ( 12.205 -10.888 2.822) 16.597 2.614 ( -0.334 -4.657 1.934) 5.054 2.905 ( -3.363 -10.411 5.042) 12.046 3.044 ( 5.442 -11.622 -4.367) 13.555 3.255 ( -0.916 -8.867 -0.444) 8.926 3.303 ( 1.228 -8.567 1.401) 8.767 3.452 ( -3.933 0.033 -1.289) 4.139 3.755 ( 10.282 -8.679 0.224) 13.458 4.111 ( 7.888 -11.539 0.420) 13.984 4.254 ( -3.291 -0.709 2.574) 4.238 4.273 ( 5.844 -4.266 1.384) 7.366 4.630 ( -8.375 0.590 -1.501) 8.529 4.912 ( -2.398 -2.693 1.115) 3.775 5.183 ( -8.314 -4.166 -5.620) 10.866 5.348 ( -4.238 -4.035 -0.864) 5.915 5.802 ( 1.696 -34.796 -0.715) 34.845 6.130 ( -9.777 9.598 6.786) 15.289 6.371 ( -15.126 -31.691 -1.194) 35.136 6.818 ( -5.186 11.706 -0.016) 12.803 7.401 ( 10.540 13.057 2.567) 16.976 8.076 ( 5.033 -0.891 3.697) 6.308 8.502 ( -5.337 13.513 -10.397) 17.865 9.250 ( 5.934 3.929 0.979) 7.184 9.405 ( 0.618 8.764 7.372) 11.469 9.689 ( -1.749 10.628 -0.769) 10.798 10.263 ( 2.206 10.559 -2.945) 11.182 10.463 ( 4.038 -3.276 -0.249) 5.206 11.370 ( -7.801 -9.366 1.774) 12.317 11.497 ( -4.067 -21.035 -0.564) 21.432 14.646 ( 7.744 0.783 1.203) 7.876 15.125 ( 10.586 4.515 -0.889) 11.543 16.058 ( 5.954 4.265 0.469) 7.339 16.402 ( 4.712 3.554 -1.400) 6.066 20.525 ( -1.390 -20.701 3.069) 20.973 21.125 ( -2.241 -11.948 -6.747) 13.903======================= Grid point 376 (170/322) =======================q-point: ( 0.46 0.15 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.749 ( 8.623 9.572 8.452) 15.408 2.531 ( 4.075 -3.815 4.002) 6.868 2.688 ( 2.379 -2.705 3.180) 4.805 3.081 ( -3.731 -7.893 6.368) 10.806 3.225 ( 2.763 -4.781 -2.273) 5.972 3.421 ( 2.940 -7.604 -1.860) 8.362 3.464 ( 1.474 -7.721 -0.050) 7.860 3.495 ( -2.232 -6.936 0.051) 7.286 3.978 ( 7.818 -7.762 1.140) 11.075 4.178 ( -2.974 3.674 1.380) 4.924 4.283 ( 0.060 -5.256 -1.879) 5.583 4.400 ( 2.774 -0.271 0.183) 2.793 4.570 ( -6.100 0.811 -3.828) 7.247 4.948 ( -0.676 -4.338 -0.007) 4.391 5.227 ( -4.952 -4.718 -4.202) 8.028 5.437 ( -3.127 -6.892 -0.387) 7.578 5.839 ( -13.976 8.560 2.357) 16.558 6.281 ( 1.170 -7.537 -0.057) 7.627 6.711 ( -1.782 -6.956 -0.074) 7.181 6.964 ( -6.661 -26.511 -0.512) 27.339 7.281 ( 11.537 3.543 3.806) 12.655 8.120 ( -1.007 6.535 -4.497) 7.996 8.241 ( 0.438 1.085 -1.096) 1.603 9.116 ( 3.693 10.602 3.665) 11.810 9.260 ( -1.457 7.614 5.667) 9.602 9.533 ( -0.096 5.778 -0.620) 5.812 10.064 ( 1.848 9.583 -3.878) 10.502 10.449 ( -1.062 2.947 1.245) 3.371 11.643 ( -0.308 -18.063 -1.160) 18.103 11.869 ( -5.408 -19.508 -0.939) 20.266 14.688 ( 6.885 -0.316 1.879) 7.144 15.105 ( 6.431 3.034 -1.202) 7.212 16.061 ( 5.015 -0.812 0.401) 5.096 16.360 ( 2.354 2.776 -2.021) 4.163 20.871 ( -0.482 -14.721 1.432) 14.798 21.250 ( -0.391 -3.043 -2.904) 4.224======================= Grid point 377 (171/322) =======================q-point: ( 0.54 0.15 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.541 ( 6.213 16.466 9.081) 19.804 2.561 ( -1.454 0.862 6.453) 6.671 2.738 ( 3.162 0.731 1.609) 3.622 3.175 ( -2.015 -3.057 4.861) 6.085 3.321 ( 1.817 -4.840 -1.373) 5.349 3.583 ( 3.135 -6.307 1.776) 7.263 3.605 ( -3.776 -6.350 -0.355) 7.396 3.645 ( 5.904 -7.201 -0.707) 9.338 4.086 ( -2.652 2.340 -0.622) 3.591 4.144 ( 2.352 -4.146 3.125) 5.699 4.337 ( -5.394 1.443 -3.069) 6.371 4.353 ( 0.316 0.055 -1.766) 1.795 4.508 ( -0.851 2.396 -1.143) 2.788 5.045 ( -1.468 -4.418 -4.143) 6.232 5.296 ( 0.618 -4.116 -2.122) 4.672 5.555 ( -3.040 -6.242 0.065) 6.944 5.683 ( -10.142 -0.074 -0.214) 10.144 6.260 ( 0.667 4.170 -0.358) 4.238 6.893 ( -0.411 -7.052 -0.052) 7.064 7.113 ( 8.803 3.672 3.604) 10.197 7.551 ( 1.064 -17.396 0.697) 17.442 7.870 ( -7.557 9.520 -6.340) 13.709 8.412 ( 5.563 -10.957 4.031) 12.932 8.929 ( 0.573 10.686 4.270) 11.521 9.118 ( -2.096 6.254 4.347) 7.900 9.407 ( -0.673 7.158 -1.395) 7.324 9.925 ( 1.339 4.501 -3.548) 5.886 10.430 ( -1.722 -2.267 1.329) 3.142 11.955 ( 1.564 -11.763 -2.834) 12.200 12.196 ( -3.178 -16.916 -1.932) 17.320 14.735 ( 5.152 -0.301 2.286) 5.645 15.066 ( 3.047 3.504 -1.383) 4.845 16.124 ( 4.332 -2.022 -0.264) 4.788 16.308 ( -0.276 2.840 -2.277) 3.651 21.097 ( 0.174 -8.395 0.043) 8.397 21.255 ( 0.084 1.446 -0.618) 1.575======================= Grid point 378 (172/322) =======================q-point: ( 0.62 0.15 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.277 ( 0.987 11.828 8.461) 14.576 2.543 ( -2.046 0.259 7.140) 7.432 2.695 ( -0.669 4.054 0.677) 4.164 3.213 ( -1.368 -1.078 4.524) 4.847 3.418 ( 3.715 -2.929 -0.879) 4.811 3.634 ( -3.272 -0.386 -0.483) 3.330 3.738 ( 2.943 -5.488 2.322) 6.646 3.793 ( 5.101 -4.186 -1.351) 6.735 4.026 ( -5.576 0.898 -0.236) 5.653 4.173 ( -4.178 2.971 0.097) 5.128 4.267 ( 0.319 0.195 -1.125) 1.186 4.371 ( 2.585 -0.285 0.352) 2.624 4.477 ( -0.537 0.398 -1.474) 1.619 5.066 ( -3.676 -0.275 -4.366) 5.713 5.375 ( 4.770 -2.240 -1.426) 5.459 5.622 ( -3.763 -2.252 0.380) 4.402 5.718 ( -3.193 -7.056 -0.646) 7.772 6.206 ( 0.538 1.152 -0.751) 1.476 6.966 ( 1.243 -1.449 0.430) 1.957 7.088 ( 7.509 4.497 3.626) 9.474 7.656 ( -4.487 5.099 -3.573) 7.675 7.830 ( -0.215 -8.220 -0.434) 8.234 8.687 ( -1.453 -6.077 5.050) 8.034 8.710 ( 1.719 4.950 4.372) 6.825 9.016 ( -2.113 3.226 3.141) 4.974 9.273 ( 0.105 4.521 -2.914) 5.380 9.888 ( 1.066 0.227 -2.885) 3.084 10.485 ( -1.154 -2.597 0.750) 2.939 12.087 ( 0.092 -2.006 -2.485) 3.195 12.465 ( 1.023 -10.610 -3.938) 11.364 14.757 ( 2.323 0.830 1.963) 3.153 15.002 ( 1.101 4.033 -1.098) 4.323 16.149 ( 2.170 2.532 -0.885) 3.450 16.255 ( -1.407 0.796 -1.775) 2.401 21.198 ( 0.034 -0.887 -0.282) 0.932 21.224 ( 0.117 0.030 0.163) 0.203======================= Grid point 379 (173/322) =======================q-point: (-0.31 0.15 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.189 ( -4.357 -3.278 6.433) 8.433 2.570 ( -1.928 -3.231 6.479) 7.492 2.592 ( -2.322 5.488 0.371) 5.970 3.210 ( -2.480 1.068 4.873) 5.571 3.448 ( 3.030 2.348 -1.130) 3.996 3.581 ( -4.378 2.723 -2.095) 5.565 3.822 ( 0.587 1.697 -2.043) 2.720 3.857 ( 8.103 -1.670 1.473) 8.403 3.981 ( -5.032 1.025 -0.950) 5.223 4.059 ( -4.732 4.612 -0.922) 6.672 4.270 ( 0.670 0.485 -0.533) 0.984 4.415 ( 2.793 -1.944 3.984) 5.239 4.476 ( 0.677 -0.889 -1.576) 1.932 5.011 ( -2.358 3.243 -3.018) 5.018 5.432 ( 6.872 -0.416 -0.493) 6.903 5.604 ( -4.521 1.227 0.524) 4.714 5.902 ( 1.966 -11.850 -0.122) 12.012 6.219 ( 0.010 -2.234 -0.907) 2.411 6.979 ( 6.183 4.259 2.620) 7.952 7.032 ( -0.254 2.597 1.322) 2.926 7.576 ( -4.813 -0.500 -2.041) 5.252 7.911 ( 1.905 0.997 -0.916) 2.337 8.447 ( -2.484 11.254 1.522) 11.625 8.944 ( -4.706 -8.537 5.882) 11.385 8.996 ( 0.935 -3.039 3.512) 4.737 9.266 ( 2.028 -4.097 -3.497) 5.755 9.888 ( 0.970 0.120 -2.788) 2.955 10.486 ( -1.020 2.059 0.582) 2.371 12.042 ( 0.516 6.131 -1.537) 6.342 12.577 ( 2.150 -0.145 -5.377) 5.792 14.730 ( -0.884 2.483 0.170) 2.641 14.924 ( 0.676 4.196 0.316) 4.262 16.062 ( -0.872 5.361 -0.499) 5.454 16.246 ( -0.247 0.175 -1.273) 1.308 21.182 ( 0.155 1.009 0.108) 1.026 21.226 ( -0.220 1.039 -0.047) 1.063======================= Grid point 380 (174/322) =======================q-point: (-0.23 0.15 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.331 ( -5.510 -11.112 5.106) 13.413 2.445 ( -1.820 8.876 1.211) 9.141 2.654 ( -1.914 -4.690 4.648) 6.875 3.153 ( -4.123 3.721 4.672) 7.258 3.360 ( 1.958 6.700 -1.143) 7.073 3.491 ( -3.959 3.457 -4.735) 7.074 3.716 ( 0.670 7.708 -1.874) 7.961 3.869 ( -5.303 7.020 -3.809) 9.587 3.886 ( 4.416 6.252 -0.290) 7.660 4.005 ( 0.836 -2.574 1.406) 3.050 4.252 ( 1.012 2.075 0.584) 2.381 4.433 ( -2.520 0.432 0.486) 2.602 4.564 ( 6.163 -5.180 4.262) 9.109 4.915 ( -1.032 4.768 -0.860) 4.954 5.467 ( 6.672 1.190 0.185) 6.780 5.541 ( -4.021 2.439 -0.033) 4.703 6.191 ( 4.293 -15.402 0.177) 15.990 6.281 ( -0.207 -3.851 -0.530) 3.893 6.859 ( 0.535 8.520 4.669) 9.730 6.983 ( -0.984 4.153 -1.314) 4.466 7.603 ( -1.269 -3.431 -0.790) 3.743 7.783 ( 0.236 13.194 -1.855) 13.326 8.296 ( 1.809 2.922 -0.122) 3.439 9.015 ( -6.107 -5.425 0.611) 8.191 9.129 ( -1.327 -6.573 6.852) 9.587 9.410 ( 2.184 -8.109 -2.465) 8.752 9.909 ( 1.121 -3.083 -3.116) 4.524 10.420 ( -1.002 3.210 0.851) 3.469 11.867 ( 1.475 11.606 0.142) 11.700 12.467 ( 1.009 11.441 -5.722) 12.832 14.657 ( -2.322 3.676 -1.757) 4.690 14.851 ( 0.848 3.928 2.036) 4.505 15.958 ( -1.176 4.135 0.129) 4.301 16.235 ( 0.171 0.563 -0.789) 0.984 21.103 ( -0.166 7.732 -0.023) 7.734 21.237 ( 0.376 -2.416 -0.388) 2.476======================= Grid point 381 (175/322) =======================q-point: (-0.15 0.15 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.501 ( -2.970 -6.555 6.568) 9.743 2.214 ( 0.588 14.723 3.026) 15.042 2.702 ( -2.079 0.329 1.496) 2.582 3.032 ( -3.202 6.437 2.650) 7.663 3.252 ( 2.081 5.315 0.124) 5.709 3.371 ( -3.604 6.088 -7.441) 10.267 3.549 ( -3.284 8.599 0.108) 9.205 3.639 ( 1.212 13.911 -2.485) 14.183 3.748 ( -0.740 6.773 -2.359) 7.210 4.084 ( 3.176 -1.992 0.168) 3.753 4.188 ( 1.378 5.183 3.709) 6.521 4.383 ( -2.246 3.045 -0.070) 3.784 4.710 ( 6.569 -3.246 6.118) 9.546 4.845 ( -2.043 -0.180 0.353) 2.081 5.442 ( 0.641 3.571 -0.624) 3.681 5.471 ( 1.281 3.801 -0.854) 4.101 6.270 ( -0.629 9.808 -0.488) 9.840 6.491 ( -0.624 -8.232 1.324) 8.361 6.770 ( 0.070 -4.815 4.158) 6.362 6.895 ( -2.260 -0.687 -1.566) 2.834 7.374 ( 0.844 26.112 -2.388) 26.234 7.686 ( 0.225 -4.022 0.247) 4.036 8.361 ( 5.249 -6.698 -1.862) 8.711 9.095 ( -5.516 -5.715 -0.281) 7.947 9.265 ( -2.480 -7.706 6.684) 10.498 9.573 ( 0.227 -8.597 -3.057) 9.127 10.029 ( 1.467 -8.627 -3.691) 9.497 10.373 ( -0.075 1.728 0.513) 1.804 11.640 ( 1.609 11.743 3.050) 12.239 12.136 ( -1.130 20.950 -4.636) 21.487 14.569 ( -0.901 3.603 -1.491) 4.002 14.788 ( 1.104 3.282 2.017) 4.007 15.900 ( -0.336 1.192 0.402) 1.302 16.234 ( 0.865 -0.412 -0.352) 1.021 20.886 ( -0.772 14.340 1.705) 14.462 21.289 ( 1.170 -1.817 -4.032) 4.575======================= Grid point 382 (176/322) =======================q-point: (-0.08 0.15 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.553 ( 0.289 1.719 10.898) 11.037 1.900 ( 6.064 19.451 5.314) 21.056 2.574 ( 0.156 12.519 -4.131) 13.184 2.915 ( -1.140 4.513 1.463) 4.879 3.121 ( -0.548 11.759 0.060) 11.772 3.178 ( -1.760 9.887 -7.019) 12.252 3.315 ( -1.768 10.910 1.004) 11.098 3.408 ( 2.565 10.807 1.098) 11.161 3.660 ( -2.329 0.665 -2.192) 3.266 3.969 ( -0.208 11.907 1.194) 11.968 4.192 ( 1.341 -0.535 4.582) 4.804 4.315 ( -0.590 1.796 -0.120) 1.894 4.718 ( 1.245 4.088 2.840) 5.131 4.925 ( 0.101 -4.924 2.386) 5.472 5.362 ( -0.745 3.655 -1.927) 4.199 5.399 ( 3.461 4.424 -0.861) 5.683 5.812 ( -1.372 32.435 -1.927) 32.521 6.409 ( -7.045 13.219 1.870) 15.095 6.857 ( -5.124 16.111 2.655) 17.114 7.051 ( -4.425 -15.496 -0.725) 16.132 7.122 ( 3.283 -19.789 -0.223) 20.061 7.787 ( 4.003 -5.255 2.565) 7.087 8.561 ( 7.047 -9.330 -4.309) 12.461 9.153 ( -2.482 -1.993 -1.151) 3.385 9.421 ( -4.677 -8.938 6.236) 11.859 9.758 ( -0.807 -11.235 -3.752) 11.873 10.208 ( 1.694 -6.596 -1.844) 7.055 10.332 ( 1.564 1.740 -3.208) 3.970 11.472 ( 0.626 7.049 6.273) 9.456 11.671 ( -2.968 22.285 -1.845) 22.557 14.518 ( 2.527 1.477 0.164) 2.931 14.747 ( 2.824 2.024 0.850) 3.577 15.911 ( 1.088 -1.990 0.536) 2.331 16.266 ( 1.759 -2.136 -0.179) 2.773 20.541 ( -1.225 20.531 3.702) 20.898 21.263 ( 0.514 5.160 -10.627) 11.825======================= Grid point 386 (177/322) =======================q-point: ( 0.23 0.23 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.386 ( 21.889 -0.000 6.823) 22.927 1.495 ( 4.604 -0.000 17.722) 18.310 2.103 ( 30.963 -0.000 -6.071) 31.553 2.373 ( 4.967 -0.000 -7.713) 9.174 2.735 ( -13.231 0.000 4.127) 13.860 2.854 ( -3.176 0.000 2.997) 4.367 2.870 ( -9.487 0.000 -1.698) 9.637 3.278 ( 21.995 -0.000 1.069) 22.021 3.443 ( -2.801 0.000 4.673) 5.448 3.471 ( 7.805 -0.000 7.757) 11.004 3.840 ( 2.189 -0.000 -2.556) 3.365 3.963 ( -3.125 0.000 2.931) 4.284 4.126 ( 0.661 -0.000 0.117) 0.672 4.431 ( -2.917 0.000 -2.764) 4.018 4.838 ( -13.447 0.000 -1.373) 13.517 5.276 ( -8.955 0.000 -0.351) 8.962 5.417 ( -6.114 0.000 -1.741) 6.357 5.586 ( -6.155 0.000 -2.706) 6.724 6.741 ( -6.368 0.000 17.176) 18.319 7.511 ( -8.841 0.000 0.878) 8.885 7.984 ( -2.453 0.000 7.779) 8.156 8.341 ( -0.260 0.000 2.444) 2.457 8.804 ( 6.244 -0.000 -0.045) 6.244 8.977 ( 2.753 -0.000 -9.083) 9.491 9.763 ( 0.483 -0.000 0.133) 0.501 9.866 ( 9.100 -0.000 3.730) 9.835 10.440 ( 5.560 -0.000 -1.118) 5.671 10.638 ( -14.824 0.000 1.702) 14.921 10.656 ( -0.544 0.000 -0.523) 0.754 11.515 ( -7.665 0.000 0.884) 7.716 14.670 ( 11.461 -0.000 -0.238) 11.464 15.562 ( 4.152 -0.000 -6.039) 7.328 16.568 ( 9.495 -0.000 -0.707) 9.521 16.887 ( 24.112 -0.000 -23.731) 33.831 19.461 ( -0.097 0.000 0.142) 0.172 19.681 ( -0.049 0.000 -0.105) 0.116======================= Grid point 387 (178/322) =======================q-point: ( 0.31 0.23 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.596 ( 6.208 -5.228 13.493) 15.746 1.738 ( 17.868 -17.299 4.689) 25.308 2.326 ( 21.197 -6.483 -4.965) 22.715 2.512 ( 1.829 -10.065 -4.692) 11.255 2.676 ( -5.445 -2.411 2.582) 6.491 2.895 ( -8.738 -7.854 -1.290) 11.820 2.929 ( -3.166 -7.860 2.810) 8.927 3.380 ( 9.133 -1.918 -0.444) 9.343 3.542 ( -2.009 -7.164 2.785) 7.944 3.644 ( 21.744 -7.424 9.173) 24.740 4.006 ( -2.197 -5.279 2.754) 6.346 4.100 ( 2.086 -18.569 -1.455) 18.742 4.257 ( -0.015 -15.442 1.772) 15.543 4.467 ( -2.593 -8.739 -2.948) 9.581 4.758 ( -14.026 -0.656 -2.082) 14.195 5.179 ( -13.611 2.135 -2.870) 14.073 5.371 ( -1.386 1.868 -0.403) 2.361 5.561 ( -10.354 -3.635 -2.769) 11.317 6.658 ( -5.494 8.047 17.368) 19.915 7.351 ( -8.799 10.706 0.691) 13.875 7.904 ( 2.523 8.459 4.742) 10.020 8.223 ( -0.826 8.574 3.515) 9.303 8.870 ( 1.479 2.182 -8.326) 8.734 9.032 ( 3.275 -8.115 -1.700) 8.915 9.740 ( 3.208 4.305 1.700) 5.632 9.981 ( 5.822 -5.581 2.628) 8.483 10.340 ( -4.428 11.805 0.712) 12.628 10.488 ( 4.025 0.199 -1.175) 4.198 10.835 ( -5.189 -11.607 0.482) 12.723 11.410 ( -10.456 4.737 -0.679) 11.499 14.725 ( 12.790 2.091 1.775) 13.081 15.474 ( 5.521 9.380 -4.372) 11.729 16.575 ( 10.468 6.673 -1.397) 12.492 16.619 ( 15.897 23.370 -9.472) 29.809 19.657 ( -1.047 -17.940 1.763) 18.057 20.129 ( -3.177 -35.386 -8.116) 36.444======================= Grid point 388 (179/322) =======================q-point: ( 0.38 0.23 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.769 ( 7.732 -5.816 9.503) 13.561 2.164 ( 14.569 -14.456 3.125) 20.760 2.508 ( -0.456 -5.612 1.049) 5.728 2.675 ( -5.216 -10.335 1.969) 11.743 2.862 ( 12.624 -11.185 -3.890) 17.309 3.039 ( -5.587 -10.517 -0.132) 11.910 3.111 ( -0.529 -10.894 1.862) 11.065 3.451 ( -0.251 -0.432 0.894) 1.024 3.659 ( 5.322 -6.330 -1.010) 8.332 3.963 ( 17.147 -9.796 3.252) 20.013 4.121 ( 1.218 -7.296 4.686) 8.757 4.295 ( 3.052 -1.679 0.059) 3.484 4.604 ( -8.794 1.183 -0.063) 8.873 4.684 ( -2.461 -21.251 1.345) 21.435 4.993 ( -3.432 -31.622 -4.214) 32.085 5.072 ( -14.688 -2.292 -3.795) 15.342 5.354 ( 1.397 -2.997 -0.903) 3.428 5.682 ( -14.005 -19.951 -2.243) 24.479 6.410 ( -7.686 15.719 13.549) 22.130 7.047 ( -6.627 14.219 0.453) 15.694 7.721 ( 8.371 13.100 1.545) 15.623 8.107 ( -1.005 2.571 5.182) 5.872 8.704 ( -3.395 10.961 -11.748) 16.422 9.235 ( 4.496 -7.476 1.205) 8.806 9.628 ( 4.602 9.602 3.833) 11.317 9.920 ( -2.633 12.937 1.050) 13.244 10.338 ( 4.568 -10.139 -0.005) 11.120 10.447 ( 2.648 6.391 -1.032) 6.994 11.097 ( -2.531 -17.437 0.359) 17.623 11.254 ( -11.939 2.596 -0.371) 12.223 14.743 ( 11.024 3.172 2.671) 11.778 15.315 ( 7.896 8.939 -2.431) 12.172 16.277 ( 9.683 14.860 -1.542) 17.804 16.522 ( 6.201 5.602 -1.644) 8.517 20.078 ( -1.666 -23.642 3.303) 23.929 20.722 ( -3.369 -26.501 -8.731) 28.105======================= Grid point 389 (180/322) =======================q-point: ( 0.46 0.23 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.904 ( 9.428 -0.363 8.199) 12.500 2.456 ( 6.732 -7.766 3.649) 10.906 2.608 ( -1.589 -6.228 3.586) 7.360 2.868 ( -4.221 -11.035 3.214) 12.244 3.138 ( 11.114 -8.920 -0.782) 14.272 3.226 ( -3.326 -11.260 -0.401) 11.748 3.326 ( 2.017 -9.643 0.752) 9.881 3.410 ( -2.387 1.154 -1.141) 2.886 3.864 ( 8.481 -9.050 0.057) 12.403 4.155 ( -0.466 -6.064 0.119) 6.083 4.228 ( -2.363 1.154 2.862) 3.887 4.395 ( 11.230 -3.955 -0.524) 11.917 4.520 ( -6.717 -0.384 -2.937) 7.341 4.898 ( -0.652 -3.007 2.649) 4.060 5.026 ( -14.840 -6.530 -7.491) 17.860 5.311 ( -2.113 -5.633 -0.475) 6.035 5.827 ( 2.763 -33.612 -0.764) 33.734 6.040 ( -9.610 16.655 7.165) 20.520 6.218 ( -9.881 -38.486 -1.208) 39.752 6.769 ( -3.332 10.379 0.516) 10.913 7.531 ( 9.704 11.432 3.117) 15.316 8.123 ( 1.054 -2.678 3.677) 4.669 8.408 ( -4.557 13.962 -10.323) 17.952 9.311 ( 3.687 3.748 1.949) 5.607 9.450 ( 3.427 11.100 5.983) 13.067 9.666 ( -1.940 9.445 -0.440) 9.652 10.278 ( 1.911 10.786 -2.807) 11.308 10.497 ( 1.666 -0.346 0.089) 1.704 11.284 ( -7.093 -13.910 0.508) 15.622 11.456 ( -2.587 -19.748 -0.139) 19.917 14.752 ( 8.903 1.963 3.044) 9.612 15.219 ( 6.343 5.251 -1.849) 8.439 16.127 ( 5.386 5.297 0.059) 7.555 16.444 ( 3.349 4.676 -1.982) 6.084 20.519 ( -1.173 -20.945 2.787) 21.162 21.085 ( -1.302 -13.512 -5.497) 14.645======================= Grid point 390 (181/322) =======================q-point: ( 0.54 0.23 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.876 ( 7.931 10.472 9.000) 15.924 2.560 ( -0.958 -1.856 6.227) 6.568 2.731 ( 2.371 -3.860 2.319) 5.089 3.047 ( -3.652 -8.465 4.451) 10.238 3.285 ( 7.319 -1.785 -1.600) 7.702 3.417 ( -5.046 -9.401 -0.405) 10.677 3.458 ( 3.644 -7.850 0.235) 8.658 3.532 ( 4.724 -8.249 0.044) 9.506 4.067 ( 3.894 -6.132 2.781) 7.779 4.125 ( -4.357 3.183 1.281) 5.546 4.271 ( -0.474 -4.207 -2.077) 4.715 4.372 ( -5.128 2.589 -3.360) 6.655 4.552 ( 2.325 1.136 -1.656) 3.072 4.939 ( -1.835 -3.934 -3.317) 5.463 5.138 ( -4.786 -10.189 -3.701) 11.850 5.413 ( -2.012 -6.272 0.091) 6.588 5.717 ( -8.277 9.682 2.673) 13.015 6.294 ( 1.087 -6.605 -0.522) 6.714 6.693 ( -1.225 -8.139 -0.188) 8.233 6.898 ( -4.173 -31.071 -0.425) 31.353 7.422 ( 9.174 4.826 4.962) 11.492 8.050 ( -4.352 12.503 -7.101) 15.023 8.275 ( 2.382 -5.778 2.119) 6.599 9.156 ( 0.821 11.234 2.688) 11.581 9.272 ( 0.956 9.419 5.620) 11.010 9.530 ( -0.243 5.731 -0.629) 5.771 10.073 ( 1.806 9.888 -3.615) 10.682 10.430 ( -2.502 3.428 1.204) 4.411 11.644 ( 1.184 -20.740 -1.344) 20.817 11.811 ( -4.137 -18.489 -0.597) 18.955 14.778 ( 6.895 0.774 3.163) 7.625 15.156 ( 3.129 4.122 -1.883) 5.507 16.114 ( 3.800 -0.669 -0.101) 3.860 16.371 ( 0.906 3.867 -2.327) 4.603 20.871 ( -0.284 -14.921 1.380) 14.988 21.238 ( -0.164 -3.873 -2.668) 4.706======================= Grid point 391 (182/322) =======================q-point: ( 0.62 0.23 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.627 ( 3.305 18.472 8.928) 20.781 2.568 ( -0.944 1.224 7.488) 7.645 2.758 ( -0.265 1.855 1.270) 2.264 3.160 ( -2.375 -4.289 5.008) 7.008 3.377 ( 7.392 -3.642 -2.247) 8.541 3.543 ( -5.572 -6.180 -1.006) 8.381 3.629 ( 2.587 -6.849 2.849) 7.856 3.716 ( 6.572 -7.030 -0.569) 9.640 4.011 ( -8.283 1.827 1.595) 8.631 4.206 ( 5.682 -0.908 1.095) 5.858 4.258 ( -5.162 1.191 -3.919) 6.590 4.358 ( 0.618 -2.231 -0.124) 2.318 4.503 ( -0.203 2.808 -1.265) 3.087 4.993 ( -4.620 -3.716 -5.827) 8.313 5.307 ( 3.674 -7.047 -2.349) 8.287 5.520 ( -3.593 -5.704 0.365) 6.751 5.601 ( -4.226 -1.293 0.443) 4.441 6.261 ( -0.155 4.134 -0.957) 4.246 6.886 ( -0.406 -7.278 -0.240) 7.294 7.203 ( 4.043 -0.535 2.792) 4.942 7.582 ( 2.001 -15.488 2.380) 15.797 7.786 ( -1.907 10.433 -5.429) 11.915 8.465 ( 1.233 -11.170 3.994) 11.927 8.935 ( -1.810 11.676 2.943) 12.177 9.119 ( 0.507 7.168 4.132) 8.289 9.392 ( -1.104 7.480 -1.393) 7.688 9.930 ( 1.381 4.642 -3.256) 5.835 10.414 ( -1.564 -2.754 1.215) 3.392 11.971 ( 2.601 -10.375 -1.853) 10.855 12.158 ( -2.278 -19.045 -2.534) 19.347 14.800 ( 4.289 1.129 3.069) 5.393 15.084 ( 0.742 4.052 -1.852) 4.516 16.168 ( 3.138 -2.029 -0.786) 3.818 16.290 ( -1.209 4.005 -2.246) 4.748 21.099 ( 0.246 -8.373 0.083) 8.377 21.253 ( -0.119 1.174 -0.674) 1.359======================= Grid point 392 (183/322) =======================q-point: (-0.31 0.23 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.299 ( -1.530 14.440 7.795) 16.481 2.546 ( -1.415 0.777 7.553) 7.724 2.684 ( -1.308 4.754 0.554) 4.961 3.210 ( -1.255 -1.063 5.444) 5.687 3.472 ( 5.002 -1.826 -1.762) 5.609 3.576 ( -5.064 -0.632 -1.590) 5.345 3.765 ( 0.280 -5.519 2.067) 5.900 3.867 ( 7.448 -3.921 -0.340) 8.423 3.952 ( -6.290 0.506 0.167) 6.313 4.132 ( -2.671 4.557 -1.570) 5.510 4.277 ( 2.049 -0.304 -0.726) 2.195 4.403 ( 1.186 -1.463 2.165) 2.869 4.467 ( 0.317 0.230 -1.661) 1.706 5.011 ( -2.638 -1.110 -5.008) 5.768 5.434 ( 5.673 -3.470 -1.279) 6.772 5.572 ( -4.721 -1.932 0.477) 5.124 5.696 ( -0.368 -8.831 -0.344) 8.846 6.202 ( -0.555 1.090 -1.159) 1.685 6.968 ( -0.386 -2.594 -0.066) 2.624 7.170 ( 2.344 5.091 4.127) 6.960 7.610 ( -0.041 5.510 -3.643) 6.605 7.849 ( 2.799 -8.152 0.858) 8.662 8.657 ( -3.662 6.725 2.594) 8.085 8.735 ( -2.167 -6.360 5.576) 8.732 9.018 ( 0.973 3.777 2.916) 4.870 9.263 ( -0.250 3.660 -2.844) 4.642 9.892 ( 1.088 0.315 -2.751) 2.975 10.476 ( -0.630 -2.664 0.672) 2.819 12.093 ( 2.007 -1.482 -1.575) 2.950 12.457 ( 0.022 -11.602 -4.598) 12.480 14.784 ( 1.040 2.649 2.086) 3.528 15.005 ( 0.107 3.839 -1.195) 4.022 16.169 ( 1.683 5.172 -1.354) 5.605 16.233 ( -1.177 -1.032 -1.408) 2.106 21.196 ( -0.115 -0.696 -0.244) 0.746 21.226 ( 0.120 -0.124 0.113) 0.207======================= Grid point 393 (184/322) =======================q-point: (-0.23 0.23 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.157 ( -4.318 -1.652 6.164) 7.705 2.561 ( -2.172 0.174 4.355) 4.869 2.582 ( -0.611 2.575 2.730) 3.802 3.200 ( -1.767 2.019 5.465) 6.088 3.482 ( 3.092 3.256 -1.110) 4.625 3.519 ( -3.964 2.642 -2.777) 5.515 3.816 ( -0.895 2.053 0.080) 2.241 3.904 ( -7.158 0.102 -2.251) 7.504 3.956 ( 7.636 -1.325 0.074) 7.751 4.032 ( 0.165 4.720 -0.960) 4.819 4.279 ( 1.330 0.622 0.322) 1.503 4.420 ( -1.802 -0.375 0.124) 1.844 4.515 ( 4.771 -3.509 2.517) 6.435 4.985 ( 0.075 2.437 -3.628) 4.371 5.495 ( -1.124 -0.633 0.316) 1.329 5.563 ( 2.058 0.864 0.011) 2.232 5.917 ( 0.664 -13.388 -0.033) 13.405 6.209 ( -1.029 -2.297 -1.069) 2.735 7.004 ( -1.137 -0.957 -0.178) 1.497 7.046 ( -1.615 8.388 4.100) 9.475 7.561 ( 4.267 0.201 -2.049) 4.738 7.931 ( 1.696 1.483 -0.245) 2.266 8.423 ( -2.241 9.827 0.703) 10.103 8.887 ( -6.510 -5.513 4.138) 9.481 9.027 ( 0.977 -3.687 5.198) 6.447 9.277 ( 1.615 -5.264 -3.371) 6.456 9.891 ( 0.932 0.152 -2.802) 2.957 10.480 ( -0.302 2.178 0.558) 2.269 12.057 ( 2.599 6.166 -1.119) 6.785 12.568 ( -0.562 -0.327 -5.691) 5.728 14.718 ( -1.296 3.899 0.139) 4.111 14.935 ( 0.874 3.600 0.317) 3.718 16.057 ( 0.377 5.907 -0.560) 5.945 16.244 ( 0.540 -0.083 -1.192) 1.312 21.185 ( 0.285 0.823 0.117) 0.879 21.223 ( -0.203 1.189 -0.057) 1.208======================= Grid point 394 (185/322) =======================q-point: (-0.15 0.23 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.297 ( -2.904 -11.581 5.325) 13.073 2.441 ( 0.541 8.148 1.414) 8.287 2.646 ( -1.888 -4.158 4.809) 6.632 3.131 ( -2.100 4.606 4.638) 6.865 3.387 ( 2.903 6.761 -0.370) 7.367 3.440 ( -1.718 3.662 -4.579) 6.109 3.691 ( -4.362 7.895 -0.471) 9.033 3.813 ( -3.241 5.399 -3.591) 7.249 3.918 ( 2.550 8.289 -1.141) 8.747 4.040 ( 4.197 -3.302 -0.227) 5.345 4.271 ( 1.703 1.680 2.008) 3.123 4.406 ( -1.920 0.725 -0.830) 2.214 4.649 ( 5.795 -6.104 4.492) 9.541 4.907 ( 0.850 5.136 -1.263) 5.357 5.453 ( -7.807 1.049 0.216) 7.880 5.567 ( 6.891 2.605 -0.239) 7.371 6.207 ( -1.679 -15.613 0.022) 15.703 6.272 ( -0.969 -4.404 -0.447) 4.531 6.848 ( -4.570 8.711 4.503) 10.819 6.971 ( -0.389 4.725 -1.327) 4.923 7.626 ( 4.869 -2.506 -1.040) 5.574 7.788 ( 2.055 13.910 -1.140) 14.107 8.308 ( 0.163 0.603 -0.809) 1.022 8.950 ( -5.377 -5.269 1.484) 7.673 9.133 ( -1.493 -5.940 6.313) 8.796 9.422 ( 1.206 -7.494 -2.133) 7.884 9.913 ( 1.257 -3.255 -3.267) 4.780 10.417 ( 0.149 3.127 0.902) 3.258 11.892 ( 2.462 11.628 0.112) 11.887 12.440 ( -2.454 11.534 -5.623) 13.064 14.631 ( -1.283 3.812 -1.112) 4.173 14.875 ( 2.506 3.574 1.392) 4.582 15.958 ( 1.081 4.316 0.115) 4.451 16.243 ( 1.569 0.386 -0.851) 1.827 21.101 ( -0.228 7.942 -0.006) 7.946 21.241 ( 0.542 -2.559 -0.422) 2.650======================= Grid point 395 (186/322) =======================q-point: (-0.08 0.23 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.506 ( 0.283 -7.986 6.698) 10.427 2.255 ( 4.730 12.767 2.820) 13.904 2.685 ( -1.832 0.679 2.024) 2.813 3.020 ( -0.475 6.201 3.076) 6.939 3.278 ( 2.147 6.160 -0.230) 6.527 3.331 ( 0.650 6.601 -5.681) 8.733 3.481 ( -6.383 9.556 -0.109) 11.492 3.678 ( 1.784 6.877 -2.614) 7.570 3.726 ( 0.991 11.587 -0.889) 11.663 4.117 ( 2.852 -0.942 -1.231) 3.246 4.218 ( 1.642 4.718 3.843) 6.303 4.362 ( -1.335 2.621 -0.213) 2.949 4.808 ( 2.667 4.593 2.926) 6.064 4.816 ( 1.428 -6.507 2.295) 7.046 5.385 ( -6.630 1.431 -0.896) 6.841 5.519 ( 3.858 5.266 -1.256) 6.648 6.257 ( -1.498 9.701 -0.233) 9.819 6.419 ( -11.585 -5.244 1.555) 12.812 6.773 ( -1.459 -4.465 2.555) 5.348 6.899 ( 3.512 -3.305 -0.184) 4.826 7.326 ( -6.739 26.239 -2.486) 27.205 7.762 ( 10.976 -2.098 0.869) 11.208 8.397 ( 2.005 -8.557 -3.461) 9.446 9.042 ( -3.337 -6.355 0.940) 7.239 9.259 ( -2.027 -6.884 6.592) 9.744 9.561 ( -0.509 -7.626 -2.508) 8.044 10.037 ( 1.780 -8.660 -3.825) 9.633 10.386 ( 1.988 1.189 0.645) 2.404 11.662 ( 0.545 11.921 2.571) 12.208 12.089 ( -4.214 20.788 -4.235) 21.629 14.562 ( 0.319 2.529 -1.122) 2.785 14.832 ( 5.474 3.216 1.542) 6.533 15.912 ( 2.032 1.215 0.455) 2.411 16.254 ( 2.720 -0.514 -0.561) 2.825 20.881 ( -0.845 14.322 1.668) 14.444 21.286 ( 0.523 -1.009 -3.886) 4.048======================= Grid point 400 (187/322) =======================q-point: ( 0.31 0.31 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.601 ( 6.342 -0.000 12.534) 14.047 1.660 ( 22.044 -0.000 4.515) 22.502 2.379 ( 10.374 -0.000 -1.556) 10.490 2.407 ( 4.087 -0.000 -6.044) 7.295 2.634 ( 2.140 -0.000 2.128) 3.018 2.742 ( -11.008 0.000 -1.570) 11.120 2.825 ( -3.190 0.000 1.888) 3.707 3.421 ( 6.506 -0.000 0.255) 6.511 3.426 ( -2.932 0.000 5.389) 6.135 3.736 ( 26.560 -0.000 8.797) 27.979 3.855 ( 1.813 -0.000 -2.957) 3.469 3.944 ( -1.690 0.000 4.075) 4.412 4.133 ( 0.386 -0.000 0.369) 0.534 4.382 ( -2.651 0.000 -3.867) 4.689 4.683 ( -12.495 0.000 -0.673) 12.513 5.109 ( -16.822 0.000 -2.961) 17.081 5.377 ( -4.193 0.000 -2.489) 4.876 5.475 ( -8.797 0.000 -0.942) 8.848 6.750 ( -2.336 0.000 19.984) 20.120 7.419 ( -7.376 0.000 1.084) 7.455 7.989 ( -1.135 0.000 8.134) 8.213 8.345 ( -0.055 0.000 1.286) 1.287 8.869 ( 4.991 -0.000 -0.059) 4.992 8.965 ( 0.324 -0.000 -9.320) 9.325 9.767 ( 0.257 -0.000 -0.232) 0.346 9.983 ( 8.903 -0.000 3.033) 9.405 10.480 ( -7.810 0.000 2.122) 8.093 10.509 ( 1.071 -0.000 -0.957) 1.436 10.649 ( -0.356 0.000 -0.310) 0.472 11.395 ( -11.603 0.000 -2.930) 11.967 14.840 ( 15.417 -0.000 4.687) 16.114 15.571 ( 0.637 -0.000 -4.235) 4.282 16.679 ( 9.761 -0.000 -1.932) 9.951 17.041 ( 15.297 -0.000 -19.834) 25.048 19.461 ( -0.093 0.000 0.145) 0.172 19.681 ( -0.040 0.000 -0.100) 0.108======================= Grid point 401 (188/322) =======================q-point: ( 0.38 0.31 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.715 ( 8.436 -5.068 9.889) 13.952 1.965 ( 18.699 -14.596 2.977) 23.907 2.398 ( -10.701 -3.167 3.516) 11.700 2.484 ( -1.428 -6.300 -2.039) 6.774 2.753 ( 9.308 -7.420 -1.894) 12.053 2.810 ( 2.304 -8.910 -1.525) 9.329 2.906 ( -1.655 -8.867 1.549) 9.152 3.435 ( 1.225 -0.679 2.176) 2.588 3.540 ( 1.568 -8.130 1.431) 8.403 3.931 ( 13.154 -4.632 1.205) 13.998 4.023 ( 9.055 -6.626 8.353) 13.988 4.123 ( 2.120 -19.471 -1.354) 19.632 4.267 ( 1.693 -14.513 1.676) 14.707 4.428 ( -2.309 -10.541 -3.738) 11.420 4.601 ( -11.582 0.818 -0.619) 11.628 4.989 ( -16.103 1.082 -3.259) 16.465 5.322 ( -9.300 -0.058 -5.331) 10.720 5.444 ( -5.497 -1.016 1.125) 5.702 6.672 ( -2.503 10.230 19.395) 22.071 7.266 ( -6.162 10.787 1.087) 12.470 7.957 ( 3.487 4.943 5.571) 8.223 8.215 ( -2.068 9.555 2.204) 10.022 8.839 ( -1.261 5.968 -10.539) 12.177 9.071 ( 3.549 -10.142 0.039) 10.746 9.779 ( 2.807 1.662 0.950) 3.398 10.055 ( 4.834 -1.076 3.196) 5.894 10.289 ( -4.198 7.390 0.378) 8.508 10.531 ( 3.340 0.887 -0.241) 3.464 10.794 ( -2.337 -11.905 0.353) 12.138 11.270 ( -11.679 4.729 -3.740) 13.144 14.895 ( 13.698 3.835 5.529) 15.261 15.500 ( 1.635 6.357 -3.340) 7.365 16.672 ( 7.309 5.346 -2.926) 9.517 16.758 ( 12.775 25.768 -8.741) 30.060 19.651 ( -0.894 -17.673 1.497) 17.759 20.080 ( -1.595 -32.690 -5.264) 33.150======================= Grid point 402 (189/322) =======================q-point: ( 0.46 0.31 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.899 ( 9.741 -5.968 7.912) 13.896 2.324 ( 9.165 -10.680 3.205) 14.433 2.444 ( -8.402 -7.861 4.740) 12.445 2.632 ( -3.656 -10.817 0.212) 11.419 2.969 ( -2.499 -12.116 -0.555) 12.383 3.035 ( 12.322 -8.747 0.266) 15.113 3.122 ( 2.439 -11.719 0.352) 11.975 3.435 ( -2.273 1.419 1.218) 2.943 3.726 ( 6.838 -8.964 -0.783) 11.302 4.048 ( -0.007 -4.825 0.802) 4.891 4.220 ( 6.194 -2.888 3.756) 7.798 4.385 ( 12.524 -5.222 0.176) 13.570 4.473 ( -8.757 -1.403 -3.340) 9.477 4.653 ( -8.062 -15.452 0.169) 17.429 4.890 ( -12.470 -11.640 1.196) 17.100 4.980 ( 3.395 -23.675 -3.619) 24.190 5.348 ( -2.448 -11.170 -4.239) 12.196 5.521 ( -11.102 -17.312 0.139) 20.566 6.381 ( -4.719 19.036 13.600) 23.866 6.993 ( -3.180 13.270 1.245) 13.702 7.823 ( 7.646 12.453 1.436) 14.684 8.093 ( -4.072 0.358 5.349) 6.732 8.629 ( -2.790 11.810 -12.055) 17.105 9.287 ( 3.662 -7.796 1.991) 8.840 9.696 ( 5.183 9.114 2.277) 10.729 9.890 ( -3.114 13.912 2.050) 14.403 10.383 ( 3.379 -9.277 -1.323) 9.962 10.475 ( 2.214 5.251 0.908) 5.770 11.078 ( -1.150 -17.199 0.518) 17.246 11.112 ( -10.995 1.404 -2.423) 11.346 14.881 ( 10.136 4.865 4.983) 12.298 15.370 ( 3.264 7.123 -2.535) 8.235 16.371 ( 7.120 16.950 -2.103) 18.505 16.577 ( 4.136 6.852 -2.541) 8.397 20.070 ( -1.376 -23.677 2.906) 23.895 20.672 ( -0.943 -26.887 -6.526) 27.683======================= Grid point 403 (190/322) =======================q-point: ( 0.54 0.31 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.037 ( 8.064 -0.067 8.181) 11.487 2.480 ( -4.287 -6.211 6.369) 9.876 2.618 ( 0.626 -8.405 3.128) 8.990 2.848 ( 0.105 -11.103 1.415) 11.193 3.182 ( -3.725 -11.307 -0.128) 11.906 3.269 ( 8.970 -7.429 2.383) 11.888 3.355 ( 3.161 -7.511 -1.536) 8.293 3.399 ( 1.801 -2.605 -0.433) 3.196 3.951 ( 6.171 -8.979 0.483) 10.906 4.117 ( -6.623 -1.663 4.247) 8.041 4.227 ( 1.457 0.153 -0.512) 1.552 4.383 ( -4.381 2.252 -4.521) 6.686 4.563 ( 7.142 -2.187 -2.968) 8.037 4.806 ( -18.284 -8.633 -7.163) 21.450 4.934 ( 6.062 -5.013 3.871) 8.767 5.287 ( -1.986 -6.102 -1.364) 6.561 5.857 ( 2.752 -32.540 -1.180) 32.678 5.955 ( -7.988 11.575 6.151) 15.350 6.143 ( -3.000 -34.641 0.540) 34.775 6.743 ( -1.479 10.202 0.475) 10.319 7.628 ( 4.478 10.388 3.525) 11.848 8.130 ( -1.000 -3.366 3.553) 4.995 8.341 ( -1.420 13.063 -9.843) 16.417 9.350 ( 1.691 5.358 3.890) 6.834 9.514 ( 4.696 12.176 3.727) 13.572 9.640 ( -2.288 7.905 -0.633) 8.253 10.289 ( 1.342 10.581 -2.600) 10.978 10.504 ( -0.290 3.116 0.129) 3.132 11.216 ( -4.581 -18.797 -0.031) 19.347 11.437 ( -0.821 -18.677 0.060) 18.695 14.860 ( 7.094 2.976 4.517) 8.921 15.261 ( 1.998 5.452 -2.367) 6.271 16.177 ( 3.018 6.097 -0.429) 6.816 16.466 ( 1.535 5.550 -2.420) 6.246 20.515 ( -0.880 -21.191 2.581) 21.366 21.062 ( 0.288 -14.155 -4.725) 14.925======================= Grid point 404 (191/322) =======================q-point: (-0.38 -0.69 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.972 ( 3.000 11.768 9.157) 15.210 2.568 ( -0.877 -2.747 7.675) 8.199 2.740 ( -1.902 -3.699 2.161) 4.688 3.038 ( -0.094 -7.676 3.072) 8.269 3.352 ( -3.119 -6.330 -1.400) 7.194 3.369 ( 5.233 -4.482 -1.288) 7.010 3.503 ( 2.431 -8.041 2.164) 8.675 3.597 ( 6.673 -8.868 -0.710) 11.121 4.010 ( -8.473 2.559 4.598) 9.974 4.159 ( 2.619 -5.957 -1.308) 6.638 4.283 ( 4.607 0.768 -1.814) 5.011 4.306 ( -3.894 -0.675 -1.345) 4.175 4.565 ( 0.564 3.133 -1.894) 3.704 4.837 ( -10.921 -7.242 -7.884) 15.293 5.161 ( 8.018 -9.849 -0.001) 12.700 5.379 ( -3.593 -6.022 -0.687) 7.045 5.659 ( -3.310 9.711 2.663) 10.600 6.300 ( 0.318 -5.280 -0.916) 5.369 6.683 ( -0.341 -8.955 -0.314) 8.967 6.868 ( -0.913 -32.505 -0.200) 32.518 7.499 ( 0.705 4.306 5.345) 6.899 8.014 ( 2.430 12.839 -6.747) 14.706 8.292 ( -0.668 -7.148 2.273) 7.531 9.155 ( -2.056 12.003 3.630) 12.707 9.316 ( 3.558 10.835 4.028) 12.095 9.520 ( -1.250 5.838 -0.835) 6.028 10.082 ( 1.534 10.056 -3.436) 10.737 10.406 ( -2.008 3.162 1.271) 3.956 11.659 ( 1.735 -23.964 -1.267) 24.060 11.773 ( -1.775 -16.275 -0.557) 16.381 14.858 ( 4.524 1.646 4.193) 6.384 15.164 ( -0.509 4.552 -2.462) 5.200 16.142 ( 0.907 -0.670 -0.579) 1.268 16.370 ( 0.321 4.565 -2.375) 5.155 20.873 ( -0.126 -15.077 1.358) 15.139 21.230 ( 0.288 -4.091 -2.561) 4.835======================= Grid point 405 (192/322) =======================q-point: (-0.31 -0.69 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.667 ( -1.162 19.859 8.602) 21.674 2.586 ( -0.372 1.617 8.298) 8.462 2.747 ( -1.874 1.799 0.996) 2.782 3.161 ( -0.153 -4.479 4.624) 6.439 3.434 ( 0.001 -3.875 -2.335) 4.524 3.494 ( 1.185 -4.910 -1.012) 5.151 3.652 ( -0.535 -6.208 2.589) 6.748 3.790 ( 5.558 -7.154 -1.223) 9.141 3.940 ( -4.055 0.998 3.196) 5.258 4.181 ( -4.449 2.712 -3.432) 6.239 4.279 ( 4.449 -1.663 -0.672) 4.797 4.373 ( 2.321 -2.495 1.795) 3.851 4.491 ( -1.207 2.844 -1.779) 3.565 4.920 ( -3.425 -5.845 -6.720) 9.542 5.355 ( 3.798 -6.395 -2.304) 7.786 5.475 ( -3.485 -5.222 0.664) 6.313 5.584 ( 1.199 -2.353 0.435) 2.676 6.252 ( -0.743 4.223 -1.112) 4.429 6.883 ( -0.050 -7.077 -0.218) 7.080 7.218 ( -2.674 -2.569 2.374) 4.403 7.580 ( -2.592 -11.738 1.630) 12.130 7.819 ( 8.689 7.418 -3.952) 12.089 8.470 ( -2.271 -10.984 3.939) 11.888 8.910 ( -3.503 12.133 3.341) 13.063 9.154 ( 3.017 8.167 3.299) 9.311 9.371 ( -1.792 7.445 -1.481) 7.799 9.935 ( 1.128 4.694 -3.070) 5.722 10.406 ( -0.371 -3.130 1.204) 3.374 12.002 ( 3.094 -9.069 -1.186) 9.655 12.128 ( -0.915 -20.561 -3.121) 20.816 14.847 ( 1.727 2.351 3.689) 4.704 15.071 ( -1.753 3.746 -2.364) 4.764 16.181 ( -0.699 -2.701 -1.061) 2.984 16.278 ( 0.637 4.857 -2.104) 5.331 21.102 ( 0.225 -8.276 0.097) 8.280 21.249 ( -0.231 1.029 -0.681) 1.255======================= Grid point 406 (193/322) =======================q-point: (-0.23 -0.69 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.293 ( -3.476 15.732 7.752) 17.879 2.555 ( -1.331 1.366 7.795) 8.025 2.672 ( -0.766 4.596 0.531) 4.690 3.219 ( -0.504 -0.696 5.482) 5.549 3.481 ( -2.140 -1.876 -2.540) 3.814 3.555 ( 2.596 0.011 -0.228) 2.606 3.754 ( -3.334 -5.235 1.253) 6.332 3.882 ( -4.261 0.254 -0.421) 4.289 3.957 ( 6.484 -2.743 0.555) 7.062 4.101 ( -1.325 2.801 -2.094) 3.739 4.309 ( 3.234 0.824 -0.566) 3.385 4.402 ( -1.210 -0.096 -0.327) 1.257 4.485 ( 2.613 -2.282 1.317) 3.711 4.987 ( 1.694 -2.199 -5.274) 5.960 5.437 ( -6.115 -2.670 -1.402) 6.819 5.563 ( 4.008 -4.049 0.502) 5.719 5.709 ( 2.746 -7.882 -0.345) 8.353 6.188 ( -1.084 1.200 -1.023) 1.914 6.961 ( -0.935 -2.367 0.206) 2.553 7.151 ( -6.548 4.552 3.526) 8.720 7.636 ( 5.197 2.958 -3.532) 6.945 7.895 ( 4.436 -5.535 0.590) 7.118 8.632 ( -1.477 9.230 2.463) 9.667 8.699 ( -6.447 -7.551 5.917) 11.558 9.050 ( 2.282 4.116 3.283) 5.739 9.250 ( -0.459 2.751 -3.105) 4.173 9.895 ( 0.872 0.374 -2.729) 2.889 10.477 ( 0.304 -2.592 0.693) 2.700 12.120 ( 3.199 -1.450 -1.676) 3.892 12.439 ( -0.539 -11.367 -4.564) 12.261 14.792 ( -0.832 3.922 2.144) 4.546 14.996 ( -1.009 2.778 -1.257) 3.212 16.169 ( -0.986 4.692 -1.261) 4.957 16.230 ( 1.546 -0.999 -1.471) 2.357 21.193 ( -0.256 -0.608 -0.194) 0.688 21.228 ( 0.118 -0.316 0.075) 0.346======================= Grid point 407 (194/322) =======================q-point: (-0.15 0.31 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.134 ( -2.889 -1.541 6.925) 7.660 2.555 ( -1.308 1.310 4.794) 5.139 2.588 ( 0.323 1.462 2.646) 3.041 3.201 ( -1.224 2.602 5.043) 5.805 3.476 ( -0.461 1.112 -2.692) 2.949 3.522 ( 2.802 4.690 0.677) 5.505 3.792 ( -8.340 3.664 -2.018) 9.330 3.811 ( -2.297 -0.520 0.659) 2.445 4.025 ( 3.965 -0.021 -1.442) 4.219 4.052 ( 3.611 2.434 -1.169) 4.509 4.304 ( 2.493 0.876 1.046) 2.842 4.396 ( -1.690 -0.321 -1.648) 2.383 4.579 ( 4.110 -4.573 2.929) 6.811 4.998 ( 4.148 2.297 -3.480) 5.881 5.411 ( -9.382 -0.101 -0.367) 9.389 5.640 ( 7.075 0.185 0.131) 7.079 5.916 ( -0.809 -12.516 -0.235) 12.545 6.192 ( -1.180 -2.397 -0.700) 2.762 6.958 ( -7.728 3.520 2.834) 8.953 7.026 ( -1.142 3.208 0.558) 3.450 7.640 ( 8.366 -0.063 -2.376) 8.697 7.950 ( 1.919 2.341 -0.478) 3.065 8.403 ( -1.381 9.564 1.336) 9.755 8.828 ( -5.904 -5.450 4.615) 9.266 9.048 ( 0.001 -2.371 5.211) 5.725 9.282 ( 1.205 -6.100 -3.248) 7.016 9.892 ( 0.756 0.119 -2.908) 3.007 10.483 ( 0.454 2.251 0.656) 2.388 12.089 ( 3.501 6.255 -1.743) 7.377 12.533 ( -2.388 0.355 -5.153) 5.690 14.703 ( -1.332 4.318 0.436) 4.539 14.946 ( 0.906 2.318 0.089) 2.490 16.066 ( 1.423 5.446 -0.525) 5.653 16.251 ( 1.352 -0.446 -1.336) 1.952 21.189 ( 0.340 0.676 0.061) 0.759 21.221 ( -0.126 1.170 -0.022) 1.177======================= Grid point 408 (195/322) =======================q-point: (-0.08 0.31 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.301 ( 0.535 -12.483 6.328) 14.006 2.467 ( 2.958 6.675 1.780) 7.515 2.641 ( -1.548 -3.418 4.937) 6.201 3.132 ( -0.281 4.523 4.294) 6.243 3.419 ( 1.305 6.007 -0.261) 6.153 3.432 ( 3.272 4.395 -2.056) 5.852 3.621 ( -6.574 8.231 -1.778) 10.683 3.759 ( -4.496 3.948 -1.035) 6.072 3.956 ( 4.516 7.709 -1.194) 9.014 4.084 ( 3.579 -2.177 -1.558) 4.470 4.303 ( 2.433 1.604 2.384) 3.765 4.385 ( -1.132 0.530 -1.545) 1.987 4.705 ( 1.159 -5.742 1.306) 6.001 4.941 ( 5.518 5.536 0.036) 7.816 5.352 ( -8.616 0.315 0.041) 8.622 5.631 ( 3.699 3.929 -0.879) 5.467 6.150 ( -8.433 -12.662 -0.411) 15.219 6.255 ( -1.623 -3.851 -0.003) 4.180 6.814 ( -2.139 4.593 4.271) 6.627 6.964 ( -0.132 4.969 -1.058) 5.082 7.648 ( -1.496 7.976 -1.518) 8.256 7.860 ( 10.856 5.259 -0.998) 12.104 8.291 ( -2.293 -0.006 -1.231) 2.602 8.906 ( -3.396 -5.611 3.298) 7.341 9.135 ( -1.380 -5.682 5.717) 8.177 9.426 ( 0.518 -6.917 -1.730) 7.149 9.917 ( 1.225 -3.583 -3.516) 5.167 10.427 ( 0.820 2.718 1.118) 3.051 11.920 ( 2.438 12.194 -0.866) 12.466 12.381 ( -4.649 12.010 -4.655) 13.694 14.621 ( 0.100 3.470 -0.386) 3.493 14.917 ( 4.002 2.078 0.703) 4.564 15.982 ( 2.928 4.157 0.152) 5.087 16.264 ( 2.518 -0.141 -1.161) 2.777 21.098 ( -0.217 8.128 -0.007) 8.131 21.246 ( 0.598 -2.464 -0.451) 2.575======================= Grid point 414 (196/322) =======================q-point: ( 0.38 0.38 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.730 ( 10.027 -0.000 9.110) 13.548 1.919 ( 20.190 -0.000 2.534) 20.348 2.285 ( -18.153 0.000 5.424) 18.946 2.403 ( -4.398 0.000 -2.400) 5.010 2.632 ( -4.523 0.000 -3.135) 5.504 2.792 ( -3.112 0.000 0.688) 3.187 2.839 ( 22.763 -0.000 0.059) 22.763 3.410 ( -2.828 0.000 6.132) 6.753 3.492 ( 5.527 -0.000 1.207) 5.657 3.863 ( 1.249 -0.000 -3.282) 3.512 3.908 ( -0.741 0.000 2.265) 2.383 4.052 ( 13.435 -0.000 2.426) 13.652 4.159 ( 6.136 -0.000 4.582) 7.658 4.356 ( -0.354 0.000 -3.304) 3.323 4.546 ( -10.686 0.000 -1.646) 10.812 4.909 ( -13.963 0.000 -1.039) 14.002 5.243 ( -12.451 0.000 -7.114) 14.340 5.437 ( -1.145 0.000 2.000) 2.304 6.804 ( -0.148 0.000 22.625) 22.625 7.351 ( -4.757 0.000 1.229) 4.913 8.003 ( -1.155 0.000 8.322) 8.402 8.350 ( 0.624 -0.000 0.529) 0.818 8.916 ( 3.088 -0.000 -0.088) 3.090 8.931 ( -0.826 0.000 -10.312) 10.345 9.768 ( -0.046 0.000 -0.467) 0.469 10.086 ( 7.444 -0.000 1.889) 7.680 10.372 ( -8.866 0.000 2.276) 9.153 10.554 ( 3.761 -0.000 -0.152) 3.764 10.646 ( -0.047 0.000 -0.164) 0.171 11.250 ( -10.291 0.000 -5.470) 11.654 15.031 ( 13.070 -0.000 8.012) 15.330 15.559 ( -0.394 0.000 -2.956) 2.982 16.766 ( 6.232 -0.000 -4.422) 7.642 17.140 ( 11.806 -0.000 -14.299) 18.543 19.460 ( -0.076 0.000 0.147) 0.166 19.680 ( -0.015 0.000 -0.097) 0.098======================= Grid point 415 (197/322) =======================q-point: ( 0.46 0.38 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.856 ( 10.761 -4.788 7.704) 14.074 2.169 ( 8.392 -10.067 2.610) 13.363 2.245 ( -8.910 -7.466 5.117) 12.701 2.415 ( -10.501 -6.315 -0.082) 12.254 2.736 ( -0.256 -9.777 -1.762) 9.938 2.880 ( -0.648 -9.873 -0.170) 9.896 3.014 ( 17.232 -4.817 1.198) 17.933 3.436 ( -1.704 -0.425 3.409) 3.834 3.589 ( 5.638 -8.471 0.419) 10.185 3.959 ( -1.012 -4.725 3.059) 5.719 4.093 ( -3.275 -15.595 -1.129) 15.975 4.233 ( 10.646 -12.937 -0.192) 16.755 4.314 ( 2.801 -12.748 3.980) 13.645 4.379 ( -4.493 -6.818 -4.451) 9.300 4.485 ( -7.554 -0.696 -1.995) 7.844 4.848 ( -3.405 -0.756 1.769) 3.911 5.167 ( -10.488 -0.938 -7.268) 12.795 5.418 ( -1.672 0.932 0.917) 2.123 6.715 ( -1.080 12.659 21.019) 24.560 7.219 ( -2.422 10.228 1.506) 10.618 8.009 ( 1.550 0.653 6.803) 7.008 8.194 ( -1.824 12.844 0.576) 12.985 8.785 ( -1.596 7.593 -11.793) 14.116 9.107 ( 2.441 -11.162 0.484) 11.436 9.812 ( 2.541 -1.124 0.635) 2.851 10.106 ( 2.043 5.451 3.743) 6.921 10.252 ( -1.967 0.619 -0.468) 2.115 10.558 ( 1.301 1.790 0.614) 2.296 10.781 ( -0.093 -11.918 0.310) 11.922 11.134 ( -8.620 4.907 -5.564) 11.373 15.056 ( 9.570 5.136 7.633) 13.275 15.500 ( 0.366 5.022 -2.501) 5.622 16.720 ( 3.055 6.557 -4.925) 8.751 16.862 ( 9.267 25.267 -6.762) 27.749 19.646 ( -0.645 -17.436 1.327) 17.499 20.059 ( 0.535 -31.447 -3.792) 31.679======================= Grid point 416 (198/322) =======================q-point: (-0.46 -0.62 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.026 ( 5.682 -5.210 7.075) 10.464 2.286 ( -9.671 -9.562 6.672) 15.148 2.462 ( -0.295 -7.709 2.885) 8.236 2.607 ( 2.801 -14.774 -0.354) 15.042 2.939 ( -1.468 -11.337 -0.010) 11.432 3.113 ( 1.816 -11.887 1.310) 12.096 3.218 ( 10.520 -7.661 0.482) 13.023 3.420 ( -0.202 1.458 0.879) 1.714 3.807 ( 6.878 -9.258 0.038) 11.533 4.047 ( -0.884 -3.568 4.367) 5.708 4.219 ( -6.190 -1.594 -0.360) 6.402 4.398 ( -1.459 -1.441 -5.477) 5.848 4.455 ( -17.431 -6.806 -5.638) 19.544 4.544 ( 6.976 -9.499 0.523) 11.797 4.835 ( 1.044 -17.387 4.519) 17.995 5.058 ( 9.888 -16.796 -0.159) 19.491 5.262 ( -7.820 -23.806 -5.455) 25.644 5.455 ( -1.303 -11.658 0.295) 11.734 6.384 ( -2.140 21.278 13.903) 25.508 6.980 ( 0.240 13.144 1.433) 13.224 7.886 ( 1.201 13.990 1.020) 14.078 8.062 ( -2.976 -2.458 5.844) 7.003 8.570 ( -0.613 11.545 -12.074) 16.717 9.330 ( 2.379 -8.311 2.308) 8.948 9.759 ( 4.837 8.458 0.857) 9.781 9.864 ( -2.677 14.978 2.917) 15.493 10.402 ( 0.515 -5.549 -2.171) 5.981 10.506 ( 2.451 1.317 2.335) 3.633 10.990 ( -7.665 0.638 -3.303) 8.371 11.079 ( 0.595 -17.095 0.308) 17.108 14.995 ( 5.831 5.932 6.277) 10.421 15.381 ( 0.168 6.444 -2.574) 6.941 16.424 ( 3.054 18.154 -2.205) 18.541 16.598 ( 0.994 7.516 -3.245) 8.246 20.065 ( -0.988 -23.719 2.670) 23.890 20.660 ( 2.200 -26.752 -5.563) 27.413======================= Grid point 417 (199/322) =======================q-point: (-0.38 -0.62 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.106 ( -2.406 0.009 8.178) 8.525 2.460 ( -0.252 -8.626 7.452) 11.402 2.607 ( -4.590 -8.074 2.772) 9.692 2.878 ( 3.895 -10.060 0.723) 10.811 3.145 ( -2.287 -10.329 0.012) 10.579 3.333 ( 1.272 -8.315 3.570) 9.138 3.385 ( 3.747 -2.913 -2.818) 5.519 3.460 ( 6.553 -7.426 -0.424) 9.913 4.008 ( 3.245 -5.275 1.123) 6.294 4.048 ( -6.529 -0.548 5.014) 8.250 4.238 ( 0.198 -3.041 -0.928) 3.186 4.370 ( 4.118 3.483 -2.879) 6.114 4.520 ( -15.211 -11.373 -8.729) 20.903 4.636 ( -2.662 0.356 -1.831) 3.251 5.054 ( 11.346 -7.154 2.481) 13.641 5.249 ( -3.529 -5.012 -2.420) 6.590 5.864 ( -1.498 -29.111 -0.730) 29.158 5.924 ( 0.665 4.121 5.211) 6.677 6.145 ( 2.520 -30.257 1.417) 30.394 6.737 ( 0.415 10.853 -0.054) 10.861 7.645 ( -3.615 9.931 3.988) 11.296 8.135 ( -0.375 -4.324 3.898) 5.833 8.311 ( 1.490 12.410 -10.002) 16.008 9.381 ( 1.218 7.644 5.528) 9.512 9.575 ( 3.628 12.356 2.692) 13.156 9.607 ( -2.417 6.715 -1.798) 7.360 10.291 ( 0.382 9.861 -2.490) 10.178 10.499 ( -0.315 5.691 0.177) 5.703 11.180 ( -1.741 -22.091 -0.049) 22.160 11.437 ( 0.867 -18.193 0.069) 18.214 14.935 ( 2.896 3.468 5.400) 7.041 15.252 ( -2.096 5.707 -2.932) 6.750 16.190 ( -0.529 6.556 -0.615) 6.606 16.466 ( -0.068 5.675 -2.534) 6.215 20.515 ( -0.576 -21.378 2.494) 21.531 21.062 ( 2.231 -13.792 -4.551) 14.693======================= Grid point 418 (200/322) =======================q-point: (-0.31 -0.62 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.991 ( -4.837 11.414 8.922) 15.273 2.594 ( 0.907 -2.797 8.193) 8.705 2.711 ( -3.839 -4.312 1.751) 6.033 3.052 ( 0.594 -6.817 2.761) 7.379 3.302 ( -2.662 -7.263 -1.259) 7.837 3.443 ( 6.694 -3.429 -1.455) 7.660 3.518 ( -1.075 -7.290 2.144) 7.675 3.655 ( 2.601 -8.730 -1.911) 9.307 3.959 ( -2.447 2.212 5.174) 6.136 4.164 ( 1.525 -3.888 -2.019) 4.639 4.258 ( -3.024 0.065 -0.668) 3.098 4.360 ( 5.005 -1.063 -0.327) 5.127 4.557 ( -0.448 4.456 -1.714) 4.795 4.698 ( -6.766 -12.816 -6.977) 16.084 5.245 ( 2.632 -6.231 -3.021) 7.408 5.349 ( 1.840 -7.003 0.623) 7.267 5.658 ( 1.671 9.698 2.813) 10.235 6.297 ( -0.285 -4.370 -0.935) 4.478 6.683 ( 0.570 -9.199 -0.409) 9.226 6.874 ( 1.977 -31.364 -0.254) 31.427 7.477 ( -6.544 3.990 5.293) 9.315 8.052 ( 6.593 11.464 -7.016) 14.971 8.277 ( -3.088 -7.622 2.500) 8.595 9.145 ( -1.499 13.404 5.243) 14.471 9.370 ( 3.750 11.118 2.665) 12.032 9.493 ( -2.695 5.801 -1.261) 6.519 10.086 ( 0.918 10.062 -3.516) 10.699 10.397 ( -0.214 2.652 1.584) 3.096 11.663 ( -0.658 -25.333 -1.288) 25.374 11.778 ( 3.180 -15.287 -0.636) 15.627 14.904 ( 0.733 2.049 4.907) 5.367 15.128 ( -4.249 4.432 -3.265) 6.954 16.132 ( -2.140 -0.588 -0.493) 2.273 16.365 ( 0.109 4.368 -2.322) 4.948 20.876 ( -0.034 -15.142 1.365) 15.204 21.229 ( 0.876 -3.664 -2.596) 4.575======================= Grid point 419 (201/322) =======================q-point: (-0.23 -0.62 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.656 ( -5.094 19.708 8.419) 22.028 2.604 ( -1.363 2.188 7.956) 8.363 2.730 ( -1.452 1.007 1.052) 2.056 3.169 ( -1.685 -4.593 4.221) 6.461 3.404 ( -0.261 -4.568 -1.893) 4.951 3.543 ( 4.926 -2.845 -0.447) 5.706 3.630 ( -4.382 -5.478 1.832) 7.250 3.808 ( -0.998 -6.103 -1.923) 6.477 3.953 ( 3.068 -0.709 3.790) 4.928 4.142 ( -0.550 3.124 -2.285) 3.909 4.297 ( 0.087 -3.158 -2.002) 3.740 4.427 ( 4.247 -1.518 2.100) 4.975 4.467 ( -1.230 2.735 -1.775) 3.485 4.888 ( 1.351 -8.489 -5.633) 10.278 5.327 ( -6.100 -4.351 -3.102) 8.109 5.487 ( 4.754 -4.307 0.973) 6.488 5.628 ( 5.391 -3.385 0.106) 6.367 6.240 ( -0.604 4.384 -0.727) 4.485 6.883 ( 0.036 -6.633 -0.012) 6.633 7.167 ( -6.806 -0.362 2.717) 7.337 7.561 ( -0.946 -12.304 0.842) 12.369 7.911 ( 8.133 5.223 -5.007) 10.885 8.440 ( -4.876 -10.880 4.035) 12.587 8.893 ( -1.005 12.782 5.081) 13.791 9.200 ( 2.901 8.679 2.977) 9.623 9.342 ( -2.168 6.936 -2.085) 7.560 9.936 ( 0.612 4.607 -3.085) 5.578 10.413 ( 0.879 -3.149 1.331) 3.530 12.015 ( -0.767 -11.024 -2.193) 11.266 12.136 ( 4.446 -18.286 -2.406) 18.972 14.862 ( -1.172 3.162 4.041) 5.264 15.029 ( -4.122 2.494 -2.910) 5.629 16.152 ( -3.198 -2.358 -0.629) 4.023 16.286 ( 1.458 3.752 -2.207) 4.591 21.105 ( 0.137 -8.099 0.066) 8.101 21.244 ( -0.240 1.016 -0.621) 1.215======================= Grid point 420 (202/322) =======================q-point: (-0.15 -0.62 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.273 ( -4.145 15.344 8.253) 17.909 2.562 ( -1.718 1.487 7.436) 7.775 2.672 ( 0.294 4.048 0.834) 4.144 3.217 ( -2.779 -0.995 3.993) 4.965 3.471 ( 2.140 -1.700 -0.945) 2.892 3.590 ( 2.517 0.524 1.319) 2.890 3.692 ( -6.764 -4.016 -0.646) 7.892 3.851 ( -1.522 0.673 0.761) 1.830 4.019 ( 4.218 -2.491 0.041) 4.899 4.092 ( 0.552 1.300 -1.641) 2.164 4.335 ( 1.295 -0.525 -1.410) 1.986 4.390 ( 0.250 2.146 -1.194) 2.469 4.521 ( 1.783 -3.844 1.392) 4.460 5.014 ( 5.009 -3.141 -4.171) 7.236 5.341 ( -7.704 -1.762 -1.510) 8.046 5.619 ( 4.673 -5.751 0.316) 7.416 5.748 ( 3.676 -5.323 -0.870) 6.528 6.175 ( -0.584 1.462 -0.411) 1.627 6.940 ( -3.648 -0.803 1.390) 3.986 7.080 ( -5.663 3.328 2.167) 6.917 7.677 ( 3.129 -0.419 -2.915) 4.297 7.944 ( 3.693 -2.900 -2.072) 5.133 8.632 ( -6.929 -1.745 6.121) 9.409 8.652 ( 2.111 4.223 4.341) 6.414 9.082 ( 0.924 4.639 4.072) 6.241 9.235 ( -0.039 1.776 -3.856) 4.246 9.895 ( 0.575 0.356 -2.809) 2.890 10.486 ( 0.854 -2.383 0.790) 2.652 12.145 ( 1.851 -2.428 -2.976) 4.263 12.426 ( 1.075 -9.418 -3.613) 10.145 14.781 ( -1.991 4.274 2.087) 5.156 14.975 ( -1.876 1.056 -1.232) 2.481 16.149 ( -1.756 1.732 -0.746) 2.577 16.248 ( 2.014 0.460 -1.832) 2.761 21.189 ( -0.328 -0.698 -0.141) 0.784 21.229 ( 0.081 -0.448 0.055) 0.458======================= Grid point 421 (203/322) =======================q-point: (-0.08 0.38 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.138 ( -0.461 -2.850 8.203) 8.697 2.557 ( -1.633 0.325 6.248) 6.466 2.611 ( 2.592 1.834 1.533) 3.527 3.198 ( -1.652 1.870 3.299) 4.136 3.483 ( 1.438 1.580 0.335) 2.163 3.558 ( 2.736 4.266 1.656) 5.332 3.680 ( -7.262 1.537 -3.073) 8.034 3.800 ( -1.413 3.130 1.422) 3.717 4.060 ( 3.286 0.914 -1.089) 3.581 4.086 ( 2.729 0.299 -1.294) 3.034 4.338 ( 2.543 0.718 1.196) 2.901 4.373 ( -1.094 -0.380 -2.490) 2.746 4.608 ( -0.985 -4.505 0.004) 4.611 5.054 ( 6.490 1.910 -2.217) 7.120 5.313 ( -6.153 0.113 -0.411) 6.168 5.699 ( 2.846 0.564 -0.566) 2.955 5.893 ( -3.079 -9.157 -0.678) 9.685 6.180 ( -0.611 -2.267 -0.028) 2.348 6.879 ( -5.945 3.261 3.350) 7.563 7.022 ( 0.069 1.751 -0.127) 1.757 7.703 ( 3.343 -0.697 -2.388) 4.167 7.967 ( 1.107 1.656 -3.035) 3.630 8.415 ( 2.712 11.329 3.919) 12.291 8.782 ( -4.695 -6.274 5.435) 9.537 9.059 ( -0.974 -1.618 4.908) 5.259 9.284 ( 0.867 -6.461 -3.180) 7.253 9.890 ( 0.609 0.039 -3.045) 3.105 10.492 ( 0.564 2.290 0.803) 2.491 12.119 ( 2.530 5.958 -3.185) 7.214 12.489 ( -2.265 2.128 -3.863) 4.958 14.694 ( -0.499 3.862 0.893) 3.996 14.957 ( 1.161 0.465 -0.246) 1.275 16.085 ( 1.901 4.098 -0.436) 4.538 16.264 ( 1.545 -0.860 -1.615) 2.394 21.193 ( 0.312 0.708 -0.063) 0.776 21.220 ( -0.013 0.878 0.064) 0.881======================= Grid point 428 (204/322) =======================q-point: (-0.54 -0.54 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.883 ( 10.122 -0.000 7.270) 12.462 2.078 ( -18.371 0.000 7.057) 19.680 2.112 ( 7.137 -0.000 0.439) 7.150 2.303 ( -5.974 0.000 1.180) 6.089 2.631 ( 4.518 -0.000 -3.611) 5.783 2.759 ( -2.333 0.000 -1.006) 2.540 3.076 ( 16.004 -0.000 3.545) 16.392 3.399 ( -2.484 0.000 6.788) 7.229 3.549 ( 3.583 -0.000 -0.761) 3.663 3.863 ( 0.605 -0.000 -3.484) 3.536 3.896 ( -3.469 0.000 5.875) 6.822 4.088 ( -4.847 0.000 -4.523) 6.630 4.233 ( -3.711 0.000 3.555) 5.139 4.314 ( -5.300 0.000 -2.583) 5.896 4.472 ( 4.524 -0.000 -2.220) 5.040 4.857 ( 4.522 -0.000 2.125) 4.996 5.105 ( -6.071 0.000 -6.306) 8.753 5.427 ( -1.194 0.000 0.165) 1.206 6.883 ( 0.651 -0.000 24.886) 24.895 7.319 ( -1.503 0.000 1.280) 1.974 8.011 ( -1.912 0.000 8.029) 8.254 8.363 ( 1.249 -0.000 0.605) 1.388 8.885 ( -0.807 0.000 -12.144) 12.171 8.940 ( 0.934 -0.000 -0.105) 0.940 9.763 ( -0.411 0.000 -0.537) 0.676 10.167 ( 5.942 -0.000 0.553) 5.968 10.294 ( -6.106 0.000 3.370) 6.974 10.588 ( 2.039 -0.000 0.418) 2.081 10.647 ( 0.319 -0.000 -0.116) 0.339 11.136 ( -5.692 0.000 -6.667) 8.767 15.173 ( 6.063 -0.000 9.081) 10.919 15.552 ( 0.902 -0.000 -1.930) 2.131 16.790 ( 0.827 -0.000 -5.827) 5.885 17.231 ( 10.555 -0.000 -11.666) 15.732 19.460 ( -0.051 0.000 0.148) 0.157 19.680 ( 0.020 -0.000 -0.096) 0.098======================= Grid point 429 (205/322) =======================q-point: (-0.46 -0.54 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.940 ( -10.391 -3.950 7.047) 13.161 2.093 ( 2.694 -6.511 6.668) 9.702 2.248 ( -15.809 -11.378 1.250) 19.518 2.394 ( 14.233 -8.652 0.718) 16.672 2.749 ( 2.463 -7.752 -0.436) 8.145 2.876 ( 0.978 -11.892 -2.131) 12.121 3.179 ( 8.985 -2.458 3.223) 9.857 3.430 ( -0.942 -0.979 3.093) 3.378 3.656 ( 5.180 -9.827 0.001) 11.109 3.946 ( -8.798 -7.342 7.934) 13.937 4.009 ( -8.408 -8.680 -5.321) 13.204 4.163 ( -16.741 -12.140 -1.983) 20.774 4.312 ( -2.998 -8.659 1.261) 9.250 4.338 ( 4.569 -11.308 -4.522) 13.008 4.529 ( 11.836 -3.122 1.696) 12.358 4.905 ( 6.364 -2.700 -0.992) 6.984 5.083 ( 0.834 -0.616 -3.641) 3.785 5.402 ( -0.349 1.328 -1.056) 1.732 6.775 ( -0.345 14.818 22.053) 26.571 7.219 ( 1.510 9.274 1.872) 9.581 8.022 ( -3.158 -0.877 7.183) 7.895 8.186 ( 0.397 15.279 -0.153) 15.285 8.734 ( -0.468 7.806 -12.603) 14.832 9.127 ( 0.546 -12.010 0.354) 12.027 9.843 ( 2.517 -3.888 0.309) 4.642 10.127 ( -0.507 10.923 4.755) 11.924 10.239 ( 0.082 -4.226 -1.332) 4.432 10.569 ( 0.393 2.139 1.577) 2.687 10.788 ( 0.744 -11.779 0.159) 11.803 11.044 ( -3.549 5.184 -6.437) 8.995 15.152 ( 2.612 5.411 8.138) 10.116 15.498 ( 0.537 5.449 -2.180) 5.893 16.716 ( -0.841 6.101 -4.677) 7.733 16.921 ( 4.188 27.216 -7.309) 28.490 19.645 ( -0.375 -17.300 1.269) 17.350 20.069 ( 3.086 -31.821 -3.622) 32.175======================= Grid point 430 (206/322) =======================q-point: (-0.38 -0.54 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.986 ( -14.903 -7.146 7.555) 18.173 2.305 ( 6.992 -9.566 6.207) 13.376 2.380 ( -10.860 -10.648 2.909) 15.485 2.695 ( 9.167 -12.187 -0.768) 15.269 2.938 ( 1.143 -10.112 0.876) 10.214 3.134 ( 1.428 -12.286 0.554) 12.381 3.290 ( 1.077 -5.642 0.075) 5.745 3.450 ( 4.741 -0.308 0.725) 4.807 3.872 ( 3.425 -8.602 1.616) 9.399 4.022 ( -12.966 -4.397 4.664) 14.464 4.120 ( -12.261 -10.583 -4.195) 16.731 4.187 ( -7.025 -3.071 -1.621) 7.837 4.450 ( 4.012 -0.026 -2.970) 4.992 4.589 ( 2.545 -8.406 0.678) 8.809 4.920 ( 10.829 -17.677 1.421) 20.779 5.135 ( -2.657 -6.433 -3.972) 8.013 5.193 ( 3.077 -27.377 -1.069) 27.570 5.482 ( 6.621 -15.492 -1.377) 16.904 6.420 ( 0.550 22.422 14.555) 26.738 7.005 ( 3.226 13.936 0.853) 14.330 7.847 ( -7.420 13.136 1.867) 15.202 8.071 ( 0.448 -1.419 5.101) 5.314 8.539 ( 1.489 10.600 -11.722) 15.874 9.353 ( 0.236 -9.282 1.794) 9.457 9.814 ( 4.253 8.845 0.389) 9.822 9.849 ( -1.471 15.674 3.115) 16.048 10.382 ( -2.597 -3.278 -1.691) 4.511 10.551 ( 3.826 -1.083 2.750) 4.835 10.915 ( -3.360 -0.567 -3.763) 5.076 11.093 ( 1.678 -16.630 0.256) 16.716 15.050 ( 0.170 6.215 6.689) 9.133 15.358 ( -2.896 7.215 -3.219) 8.415 16.423 ( -2.113 18.914 -2.165) 19.155 16.581 ( -1.853 6.934 -3.233) 7.872 20.064 ( -0.609 -23.763 2.625) 23.915 20.688 ( 5.653 -26.143 -5.921) 27.394======================= Grid point 431 (207/322) =======================q-point: (-0.31 -0.54 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.031 ( -13.199 -3.049 8.212) 15.841 2.513 ( -3.233 -8.588 4.867) 10.387 2.546 ( -0.080 -8.413 4.650) 9.612 2.931 ( 4.730 -7.706 0.431) 9.052 3.133 ( 0.121 -8.962 0.497) 8.977 3.340 ( -1.600 -8.567 2.497) 9.065 3.423 ( 3.478 -6.492 -3.257) 8.053 3.508 ( 2.419 -3.831 -0.725) 4.589 3.995 ( -4.044 1.449 5.710) 7.146 4.048 ( 1.410 -7.777 0.170) 7.906 4.226 ( -9.620 -7.500 -2.398) 12.432 4.278 ( -6.988 -7.157 -2.717) 10.364 4.462 ( 6.526 -1.966 -2.123) 7.139 4.639 ( 3.330 2.660 -1.164) 4.418 5.140 ( -1.255 -4.251 -4.065) 6.014 5.237 ( 6.805 -7.076 0.537) 9.832 5.849 ( -0.246 -27.912 -0.279) 27.915 5.979 ( 5.495 4.937 5.479) 9.197 6.202 ( 6.236 -30.018 0.641) 30.665 6.752 ( 2.295 11.946 -0.700) 12.185 7.583 ( -8.624 9.614 4.553) 13.695 8.134 ( -2.306 -4.687 3.919) 6.530 8.311 ( 3.586 11.965 -10.023) 16.015 9.415 ( 1.392 8.431 6.321) 10.629 9.554 ( -4.827 7.440 0.304) 8.874 9.633 ( 4.382 11.864 -0.861) 12.677 10.282 ( -0.556 8.744 -2.547) 9.124 10.501 ( 0.590 6.967 0.352) 7.001 11.174 ( 0.533 -22.965 0.324) 22.974 11.457 ( 2.462 -18.555 -0.113) 18.718 14.958 ( -1.891 3.386 5.610) 6.820 15.192 ( -6.548 6.042 -3.734) 9.660 16.163 ( -3.552 6.314 -0.293) 7.250 16.449 ( -1.517 5.131 -2.284) 5.818 20.517 ( -0.333 -21.470 2.539) 21.622 21.085 ( 4.185 -12.477 -5.001) 14.078======================= Grid point 432 (208/322) =======================q-point: (-0.23 -0.54 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.925 ( -10.458 8.903 8.438) 16.119 2.612 ( -4.276 -2.794 5.049) 7.183 2.679 ( -1.127 -4.449 3.845) 5.988 3.068 ( 0.888 -4.917 2.923) 5.788 3.294 ( 1.934 -7.190 -1.310) 7.560 3.482 ( -4.152 -7.210 1.534) 8.460 3.520 ( 5.503 -2.291 -1.271) 6.095 3.644 ( -2.153 -8.851 -2.833) 9.540 3.972 ( 0.876 0.465 5.651) 5.738 4.193 ( 1.095 -6.034 -1.195) 6.248 4.232 ( 0.813 4.605 -0.408) 4.694 4.342 ( -5.565 -6.694 -3.074) 9.232 4.565 ( 1.263 4.167 -2.118) 4.842 4.667 ( 3.732 -11.781 -1.210) 12.417 5.198 ( -4.563 -4.787 -4.367) 7.925 5.428 ( 7.942 -6.660 0.146) 10.366 5.717 ( 7.057 10.035 2.822) 12.588 6.292 ( 0.002 -3.975 -0.626) 4.024 6.692 ( 1.134 -8.926 -0.404) 9.007 6.909 ( 4.198 -27.676 -0.410) 27.996 7.401 ( -8.822 2.451 4.984) 10.425 8.099 ( 5.069 10.117 -7.910) 13.806 8.238 ( -5.145 -7.323 2.870) 9.398 9.159 ( 0.676 14.133 6.610) 15.617 9.412 ( 0.498 9.946 3.573) 10.580 9.457 ( -1.010 6.565 -3.355) 7.441 10.080 ( 0.157 9.950 -3.807) 10.654 10.409 ( 0.975 2.223 1.987) 3.137 11.641 ( -2.101 -22.745 -1.263) 22.877 11.836 ( 6.814 -17.653 -0.946) 18.946 14.907 ( -2.610 1.803 5.218) 6.106 15.045 ( -7.900 3.695 -4.129) 9.650 16.096 ( -3.633 -0.572 0.098) 3.679 16.355 ( -0.892 3.566 -2.189) 4.279 20.880 ( -0.017 -15.096 1.402) 15.161 21.234 ( 1.477 -2.682 -2.768) 4.128======================= Grid point 433 (209/322) =======================q-point: (-0.15 -0.54 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.607 ( -7.577 18.017 8.144) 21.174 2.602 ( -2.645 1.770 6.052) 6.838 2.716 ( -2.262 0.058 2.138) 3.113 3.153 ( -1.956 -3.634 2.920) 5.056 3.431 ( 4.763 -4.614 -0.508) 6.651 3.562 ( -6.805 -4.341 1.722) 8.253 3.598 ( 3.901 -2.449 -0.579) 4.642 3.782 ( -1.911 -6.306 -2.241) 6.960 4.003 ( 3.007 -1.518 4.134) 5.332 4.142 ( 0.864 4.001 -1.092) 4.236 4.287 ( -0.172 -3.571 -2.186) 4.191 4.437 ( -1.504 -5.091 -1.253) 5.455 4.474 ( 1.084 4.849 -1.070) 5.083 4.907 ( 3.592 -9.727 -2.829) 10.748 5.250 ( -4.144 -3.461 -1.981) 5.751 5.563 ( 7.214 -3.261 -0.011) 7.917 5.694 ( 6.237 -2.036 -0.527) 6.582 6.236 ( 0.277 4.467 -0.092) 4.476 6.880 ( -1.007 -5.453 0.692) 5.588 7.094 ( -6.519 1.344 2.679) 7.175 7.563 ( 0.834 -13.382 0.173) 13.409 7.962 ( 3.747 4.564 -6.654) 8.897 8.383 ( -7.073 -10.770 4.068) 13.512 8.926 ( 3.261 12.404 6.825) 14.528 9.231 ( -0.208 8.943 4.207) 9.885 9.315 ( -0.232 6.314 -3.940) 7.446 9.930 ( 0.136 4.335 -3.205) 5.392 10.431 ( 1.147 -2.906 1.475) 3.455 11.978 ( -3.448 -13.736 -3.093) 14.496 12.207 ( 8.202 -14.711 -2.028) 16.965 14.848 ( -3.095 3.557 3.670) 5.975 14.961 ( -5.654 0.142 -2.871) 6.343 16.111 ( -3.669 -2.403 -0.064) 4.386 16.290 ( 0.350 2.458 -2.177) 3.302 21.106 ( 0.042 -7.864 0.002) 7.864 21.240 ( -0.182 1.123 -0.515) 1.249======================= Grid point 434 (210/322) =======================q-point: (-0.08 -0.54 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.252 ( -4.001 13.252 8.605) 16.300 2.564 ( -1.717 1.342 6.866) 7.203 2.678 ( -0.311 2.442 1.176) 2.728 3.193 ( -1.966 -1.279 2.002) 3.084 3.503 ( 0.619 -0.514 2.483) 2.610 3.597 ( -2.130 -1.855 0.656) 2.900 3.647 ( 1.956 -0.826 -1.083) 2.384 3.838 ( -1.220 -0.171 -0.072) 1.234 4.061 ( 1.797 -1.664 0.579) 2.517 4.103 ( 2.942 0.624 -0.019) 3.007 4.331 ( -0.569 -1.793 -2.286) 2.960 4.397 ( 0.250 3.021 -0.565) 3.084 4.512 ( -3.274 -4.029 -1.808) 5.498 5.063 ( 4.471 -4.169 -2.535) 6.618 5.278 ( -1.882 -1.370 -0.679) 2.425 5.670 ( 3.544 -3.782 0.015) 5.183 5.778 ( 2.508 -3.255 -1.553) 4.392 6.176 ( 0.763 1.778 0.173) 1.942 6.888 ( -5.421 1.032 2.893) 6.231 7.048 ( -1.155 0.933 0.632) 1.614 7.692 ( 0.932 -1.365 -2.256) 2.797 7.956 ( 0.066 -1.659 -4.420) 4.722 8.565 ( -7.028 -9.354 6.020) 13.158 8.725 ( 6.524 11.318 6.211) 14.465 9.090 ( -1.876 4.783 4.526) 6.847 9.229 ( 1.304 1.267 -4.454) 4.811 9.891 ( 0.431 0.252 -2.899) 2.942 10.498 ( 0.567 -2.136 0.863) 2.373 12.136 ( -1.514 -4.486 -4.171) 6.310 12.449 ( 4.480 -5.848 -2.818) 7.887 14.763 ( -1.995 3.604 1.794) 4.493 14.948 ( -1.955 -1.039 -0.991) 2.425 16.126 ( -1.872 -0.466 -0.440) 1.978 16.261 ( 1.170 0.537 -1.922) 2.314 21.185 ( -0.300 -0.890 -0.080) 0.942 21.230 ( 0.003 -0.545 0.039) 0.546======================= Grid point 442 (211/322) =======================q-point: (-0.46 -0.46 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.804 ( -21.527 0.000 8.263) 23.058 1.992 ( -20.007 0.000 1.481) 20.062 2.113 ( 14.506 -0.000 6.730) 15.991 2.386 ( 11.537 -0.000 -0.088) 11.537 2.686 ( 5.777 -0.000 -1.134) 5.887 2.739 ( 0.618 -0.000 -3.481) 3.536 3.218 ( 5.718 -0.000 4.214) 7.103 3.396 ( -1.902 0.000 7.203) 7.450 3.545 ( -7.415 0.000 -4.593) 8.722 3.778 ( -21.814 0.000 5.795) 22.571 3.855 ( -0.015 0.000 -3.529) 3.529 3.956 ( -4.120 0.000 1.481) 4.378 4.230 ( -1.940 0.000 1.095) 2.228 4.270 ( 2.808 -0.000 -2.860) 4.008 4.592 ( 13.199 -0.000 1.814) 13.323 4.914 ( 3.754 -0.000 -6.673) 7.656 5.093 ( 4.544 -0.000 -0.938) 4.640 5.428 ( 3.131 -0.000 -1.004) 3.288 6.968 ( -0.052 0.000 25.946) 25.946 7.325 ( 1.904 -0.000 1.220) 2.261 8.014 ( -1.558 0.000 7.741) 7.896 8.380 ( 0.803 -0.000 1.278) 1.509 8.839 ( 0.125 -0.000 -14.311) 14.312 8.937 ( -1.238 0.000 -0.089) 1.241 9.755 ( -0.758 0.000 -0.450) 0.882 10.223 ( 2.898 -0.000 -2.064) 3.558 10.260 ( -0.919 0.000 6.659) 6.722 10.607 ( 1.200 -0.000 1.221) 1.712 10.653 ( 0.654 -0.000 -0.171) 0.676 11.075 ( -1.384 0.000 -7.340) 7.469 15.225 ( -1.465 0.000 8.627) 8.750 15.567 ( 2.126 -0.000 -1.583) 2.651 16.757 ( -3.099 0.000 -4.986) 5.871 17.297 ( 6.833 -0.000 -14.167) 15.729 19.460 ( -0.023 0.000 0.148) 0.150 19.680 ( 0.057 -0.000 -0.097) 0.113======================= Grid point 443 (212/322) =======================q-point: (-0.38 -0.46 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.749 ( -21.054 -6.039 8.847) 23.623 2.026 ( -19.666 -13.091 2.146) 23.722 2.259 ( 13.751 -4.756 6.230) 15.828 2.535 ( 9.268 -8.688 -1.460) 12.788 2.787 ( 4.316 -6.508 1.309) 7.918 2.892 ( 3.175 -12.519 -3.212) 13.309 3.227 ( -2.800 -0.471 0.325) 2.858 3.424 ( -3.947 -3.736 1.781) 5.719 3.613 ( -22.343 -14.110 -0.962) 26.443 3.757 ( -3.605 -5.380 5.696) 8.625 3.988 ( 0.329 -7.125 2.895) 7.698 4.046 ( -5.057 -9.345 -0.496) 10.637 4.289 ( -1.496 -9.814 0.790) 9.959 4.384 ( 4.737 -11.418 -2.263) 12.567 4.697 ( 14.753 -4.353 2.422) 15.572 4.936 ( 4.276 -2.065 -7.445) 8.831 5.120 ( 2.321 -0.878 -2.010) 3.194 5.438 ( 8.287 1.169 -1.241) 8.461 6.841 ( -0.485 15.756 21.936) 27.012 7.263 ( 4.778 8.357 2.050) 9.842 7.994 ( -4.611 3.854 6.166) 8.610 8.194 ( 0.304 13.431 0.686) 13.452 8.697 ( 0.898 7.201 -12.722) 14.646 9.120 ( -1.822 -12.632 -0.077) 12.763 9.871 ( 2.072 -6.822 -0.771) 7.171 10.134 ( -0.773 11.700 5.890) 13.122 10.244 ( 1.505 -2.408 -1.156) 3.066 10.587 ( 1.742 1.479 3.096) 3.848 10.795 ( 0.486 -10.973 -0.534) 10.997 11.006 ( 0.224 4.622 -6.579) 8.044 15.172 ( -3.140 4.915 7.906) 9.824 15.491 ( -1.078 7.582 -3.192) 8.297 16.676 ( -3.629 4.975 -3.515) 7.091 16.902 ( -3.289 30.160 -9.324) 31.739 19.646 ( -0.153 -17.285 1.318) 17.336 20.108 ( 5.939 -33.755 -4.813) 34.609======================= Grid point 444 (213/322) =======================q-point: (-0.31 -0.46 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.810 ( -18.320 -9.512 8.714) 22.407 2.207 ( -16.317 -14.552 2.694) 22.029 2.460 ( 11.034 -6.739 5.799) 14.170 2.779 ( 5.780 -10.863 -2.534) 12.563 2.971 ( 3.478 -8.561 2.328) 9.529 3.149 ( 0.719 -11.210 0.535) 11.246 3.249 ( -7.476 -6.745 -3.665) 10.715 3.511 ( 4.282 -2.749 0.826) 5.155 3.748 ( -23.664 -16.268 -2.407) 28.817 3.897 ( -0.968 -7.541 4.456) 8.812 4.025 ( -6.105 -0.026 3.441) 7.008 4.216 ( 5.427 -6.003 1.563) 8.242 4.470 ( 1.779 -4.491 -2.345) 5.369 4.647 ( 6.362 -6.735 1.713) 9.422 5.041 ( -4.385 -5.754 -5.239) 8.933 5.080 ( 11.975 -18.874 -0.145) 22.353 5.234 ( 2.996 -19.611 -2.778) 20.032 5.595 ( 12.636 -16.980 -1.803) 21.242 6.486 ( 2.600 22.240 14.922) 26.909 7.058 ( 5.739 15.358 -0.151) 16.396 7.752 ( -9.384 12.537 2.440) 15.849 8.085 ( -0.832 0.698 4.736) 4.859 8.526 ( 2.284 9.564 -10.962) 14.726 9.343 ( -2.576 -10.166 0.730) 10.513 9.844 ( -1.146 16.621 4.108) 17.159 9.866 ( 4.781 8.890 -1.011) 10.144 10.340 ( -3.453 -2.826 -0.887) 4.549 10.609 ( 4.341 0.394 2.359) 4.956 10.886 ( 0.155 -3.591 -2.764) 4.534 11.118 ( 2.397 -16.051 0.121) 16.230 15.043 ( -4.612 6.256 6.303) 10.006 15.286 ( -7.792 8.802 -4.533) 12.599 16.361 ( -7.281 17.859 -2.065) 19.396 16.541 ( -3.477 5.833 -2.317) 7.176 20.067 ( -0.329 -23.811 2.758) 23.972 20.752 ( 8.912 -25.045 -7.595) 27.647======================= Grid point 445 (214/322) =======================q-point: (-0.23 -0.46 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.886 ( -15.404 -5.378 8.350) 18.329 2.391 ( -14.041 -12.502 2.480) 18.963 2.633 ( 6.181 -4.219 5.598) 9.346 2.988 ( 4.760 -6.983 -0.208) 8.453 3.145 ( 0.884 -8.145 1.351) 8.303 3.306 ( -5.041 -8.023 0.085) 9.476 3.423 ( -1.303 -11.191 -3.047) 11.671 3.544 ( 4.573 0.667 -1.303) 4.802 3.979 ( -3.142 -6.397 3.066) 7.758 4.014 ( -13.088 -11.902 -2.235) 17.831 4.047 ( -4.231 -8.466 1.891) 9.652 4.317 ( 4.928 -0.530 2.718) 5.653 4.513 ( 3.972 -1.292 -2.737) 4.994 4.703 ( 6.191 3.150 1.164) 7.043 5.082 ( -2.553 -4.216 -5.327) 7.257 5.340 ( 8.449 -6.787 -0.576) 10.853 5.855 ( 1.161 -30.208 -0.854) 30.242 6.086 ( 9.556 11.157 6.833) 16.201 6.288 ( 8.564 -31.151 -0.947) 32.320 6.786 ( 4.108 13.153 -1.113) 13.824 7.485 ( -10.422 9.525 4.601) 14.850 8.106 ( -4.493 -3.398 3.899) 6.851 8.322 ( 3.252 11.001 -9.448) 14.861 9.439 ( -1.491 1.638 3.663) 4.281 9.505 ( -2.934 14.379 2.939) 14.967 9.679 ( 4.240 11.896 -1.815) 12.759 10.263 ( -1.132 7.703 -2.642) 8.222 10.508 ( 0.095 7.040 0.181) 7.042 11.193 ( 2.426 -21.357 1.256) 21.531 11.494 ( 4.080 -19.903 -0.394) 20.321 14.927 ( -6.346 2.701 4.343) 8.151 15.080 ( -10.179 5.923 -3.501) 12.286 16.112 ( -5.057 5.182 0.280) 7.246 16.417 ( -2.942 4.422 -1.785) 5.603 20.523 ( -0.205 -21.458 2.704) 21.629 21.126 ( 5.767 -10.417 -6.012) 13.339======================= Grid point 446 (215/322) =======================q-point: (-0.15 -0.46 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.816 ( -12.264 6.367 7.826) 15.880 2.525 ( -10.633 -7.911 2.187) 13.432 2.703 ( 1.209 -0.165 5.172) 5.314 3.099 ( 2.891 -2.585 2.958) 4.877 3.324 ( 2.852 -8.831 -1.285) 9.369 3.416 ( -6.510 -6.175 1.018) 9.030 3.581 ( 4.143 -2.114 -1.415) 4.862 3.609 ( -0.848 -9.054 -3.673) 9.808 4.001 ( 0.350 -0.755 6.288) 6.343 4.151 ( -4.640 -4.660 -1.788) 6.815 4.223 ( -6.656 -8.086 -2.332) 10.729 4.322 ( 5.592 0.283 -0.540) 5.625 4.551 ( -1.408 1.417 -2.671) 3.335 4.733 ( 5.004 -6.501 1.989) 8.441 5.164 ( 1.800 -4.243 -2.686) 5.335 5.502 ( 4.777 -6.038 -1.484) 7.841 5.839 ( 12.331 10.628 2.561) 16.479 6.295 ( 0.792 -3.779 -0.317) 3.874 6.705 ( 1.030 -8.248 -0.123) 8.313 6.967 ( 5.877 -21.014 -0.215) 21.822 7.311 ( -8.601 -1.885 3.532) 9.487 8.111 ( -0.476 8.227 -5.954) 10.167 8.182 ( -3.923 -5.070 1.157) 6.513 9.197 ( 1.866 13.456 7.010) 15.287 9.380 ( -5.437 5.724 2.173) 8.188 9.477 ( 4.155 10.309 -2.620) 11.419 10.066 ( -0.391 9.746 -4.057) 10.564 10.425 ( 0.444 1.719 2.146) 2.786 11.612 ( -1.990 -19.976 -0.920) 20.096 11.922 ( 8.496 -19.496 -1.532) 21.322 14.879 ( -5.105 -0.045 4.084) 6.538 14.927 ( -9.452 3.181 -3.542) 10.583 16.051 ( -4.204 -0.727 0.590) 4.307 16.330 ( -2.169 2.645 -1.838) 3.883 20.884 ( -0.075 -14.957 1.467) 15.029 21.245 ( 1.957 -1.337 -3.058) 3.869======================= Grid point 447 (216/322) =======================q-point: (-0.08 -0.46 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.537 ( -8.548 15.533 7.501) 19.251 2.578 ( -4.274 -1.606 3.641) 5.840 2.690 ( -3.232 1.020 3.604) 4.947 3.158 ( 1.505 -1.941 2.136) 3.255 3.469 ( -5.574 -2.811 2.551) 6.743 3.498 ( 2.598 -6.909 -1.230) 7.483 3.647 ( 4.386 -1.765 -0.141) 4.730 3.755 ( -0.968 -6.611 -3.267) 7.438 4.033 ( -0.440 -1.524 3.070) 3.456 4.157 ( 1.729 1.357 1.203) 2.506 4.279 ( -1.704 -2.261 -0.430) 2.864 4.382 ( -4.767 -3.608 -5.479) 8.109 4.482 ( 1.178 2.992 -0.075) 3.216 4.935 ( 1.546 -9.610 -1.174) 9.804 5.242 ( 3.338 -2.368 0.116) 4.095 5.619 ( 1.881 -4.161 -1.367) 4.766 5.795 ( 12.213 2.523 -0.322) 12.475 6.245 ( 1.057 4.301 0.263) 4.437 6.860 ( -3.195 -3.063 2.272) 4.975 7.043 ( -3.340 0.264 1.394) 3.629 7.581 ( 2.335 -13.163 -0.622) 13.383 7.956 ( -1.373 4.506 -6.300) 7.866 8.313 ( -6.270 -10.566 3.435) 12.757 8.998 ( 4.613 10.785 7.335) 13.835 9.213 ( -4.561 7.855 3.871) 9.874 9.322 ( 3.223 7.216 -3.994) 8.855 9.920 ( 0.013 3.912 -3.265) 5.095 10.444 ( 0.281 -2.700 1.477) 3.090 11.926 ( -3.648 -13.836 -2.840) 14.588 12.301 ( 9.002 -13.247 -2.755) 16.252 14.813 ( -4.461 3.083 1.156) 5.544 14.891 ( -4.811 -2.543 -0.624) 5.477 16.067 ( -3.886 -2.755 0.236) 4.770 16.281 ( -0.850 1.275 -1.872) 2.419 21.106 ( -0.014 -7.640 -0.057) 7.641 21.237 ( -0.096 1.350 -0.411) 1.415======================= Grid point 456 (217/322) =======================q-point: (-0.38 -0.38 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.577 ( -21.962 0.000 10.499) 24.342 1.740 ( -23.965 0.000 3.176) 24.175 2.315 ( 16.011 -0.000 5.898) 17.063 2.478 ( 4.146 -0.000 -2.313) 4.747 2.755 ( 6.096 -0.000 0.165) 6.098 2.765 ( 6.062 -0.000 -3.850) 7.181 3.140 ( -33.377 0.000 -5.628) 33.848 3.299 ( -11.416 0.000 3.546) 11.954 3.401 ( -1.112 0.000 7.217) 7.302 3.714 ( 2.918 -0.000 6.388) 7.023 3.841 ( -0.514 0.000 -3.404) 3.443 3.956 ( 0.303 -0.000 5.506) 5.514 4.182 ( -4.089 0.000 -0.461) 4.115 4.327 ( 4.672 -0.000 -0.965) 4.771 4.756 ( 12.632 -0.000 0.764) 12.655 4.945 ( 7.230 -0.000 -5.966) 9.373 5.119 ( 0.419 -0.000 -3.905) 3.928 5.516 ( 11.733 -0.000 -1.024) 11.777 7.033 ( -2.963 0.000 24.596) 24.774 7.369 ( 5.000 -0.000 1.062) 5.111 8.035 ( 1.233 -0.000 8.650) 8.738 8.386 ( -0.666 0.000 1.815) 1.934 8.800 ( 1.297 -0.000 -15.964) 16.016 8.911 ( -3.295 0.000 -0.042) 3.295 9.744 ( -0.950 0.000 -0.226) 0.977 10.227 ( 0.403 -0.000 -0.262) 0.481 10.315 ( 5.381 -0.000 6.137) 8.162 10.630 ( 1.875 -0.000 2.270) 2.944 10.661 ( 0.870 -0.000 -0.312) 0.924 11.049 ( 0.631 -0.000 -7.564) 7.590 15.208 ( -5.279 0.000 8.199) 9.752 15.574 ( -0.398 0.000 -3.464) 3.486 16.694 ( -5.295 0.000 -3.442) 6.316 17.281 ( -1.034 0.000 -20.465) 20.491 19.460 ( 0.001 -0.000 0.146) 0.146 19.680 ( 0.087 -0.000 -0.101) 0.134======================= Grid point 457 (218/322) =======================q-point: (-0.31 -0.38 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.539 ( -20.142 -7.113 11.008) 24.030 1.793 ( -21.641 -15.832 3.539) 27.047 2.436 ( 12.414 -3.199 4.760) 13.675 2.597 ( 3.548 -9.102 -2.814) 10.166 2.851 ( 2.173 -5.686 1.091) 6.184 2.925 ( 3.663 -11.559 -2.563) 12.393 3.005 ( -31.116 -8.769 -5.011) 32.714 3.305 ( -8.043 -6.625 2.230) 10.657 3.512 ( -0.209 -7.649 4.804) 9.035 3.772 ( -0.640 -4.436 5.057) 6.757 3.988 ( -3.151 -1.411 5.331) 6.351 4.042 ( 5.326 -14.221 -0.112) 15.186 4.279 ( -0.616 -12.034 0.836) 12.078 4.421 ( 1.841 -10.467 -1.611) 10.749 4.840 ( 7.945 -3.395 -3.384) 9.279 5.013 ( 12.619 -2.630 -0.783) 12.914 5.111 ( 0.029 -0.561 -5.302) 5.331 5.565 ( 12.696 1.028 -1.987) 12.892 6.894 ( -2.128 14.664 20.324) 25.152 7.338 ( 6.784 7.610 1.702) 10.336 7.970 ( -2.091 10.993 5.639) 12.531 8.193 ( -1.096 11.062 1.832) 11.266 8.673 ( 1.500 6.459 -12.196) 13.882 9.084 ( -4.122 -12.940 -0.460) 13.588 9.879 ( 0.013 -8.574 -2.127) 8.834 10.153 ( 1.175 10.109 4.807) 11.255 10.271 ( 3.507 2.828 0.886) 4.591 10.633 ( 3.843 -0.006 5.012) 6.316 10.794 ( 0.167 -9.145 -1.819) 9.325 11.002 ( 2.133 2.692 -5.157) 6.196 15.140 ( -6.104 4.744 7.455) 10.739 15.435 ( -6.692 10.832 -6.379) 14.241 16.613 ( -5.551 4.219 -2.661) 7.463 16.781 ( -12.124 30.913 -10.667) 34.877 19.649 ( -0.015 -17.373 1.460) 17.434 20.175 ( 8.784 -36.946 -7.562) 38.722======================= Grid point 458 (219/322) =======================q-point: (-0.23 -0.38 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.633 ( -16.844 -10.700 10.138) 22.383 2.013 ( -18.490 -16.607 3.406) 25.085 2.592 ( 8.424 -4.860 4.042) 10.532 2.816 ( 2.505 -11.331 -3.476) 12.114 2.969 ( -13.201 -10.668 -1.027) 17.004 3.103 ( -4.014 -9.549 -1.377) 10.449 3.175 ( 1.018 -12.283 -0.395) 12.331 3.491 ( -8.711 -16.002 0.480) 18.226 3.609 ( 0.827 -2.163 0.757) 2.437 3.883 ( -3.084 -6.880 2.630) 7.985 3.986 ( -3.001 -0.232 6.165) 6.860 4.276 ( 3.177 -5.505 1.380) 6.504 4.504 ( 5.662 -6.748 0.003) 8.809 4.713 ( 2.005 -9.151 2.319) 9.651 4.963 ( -1.845 -6.265 -6.858) 9.471 5.240 ( 7.755 -10.509 -0.843) 13.088 5.259 ( 8.170 -20.673 -3.240) 22.464 5.742 ( 13.510 -17.601 -2.652) 22.346 6.567 ( 3.194 20.319 14.533) 25.185 7.135 ( 7.736 16.912 -1.054) 18.627 7.655 ( -8.335 13.811 2.238) 16.286 8.081 ( -2.638 2.473 5.388) 6.488 8.519 ( 2.154 8.787 -10.007) 13.490 9.301 ( -4.690 -10.476 -0.053) 11.478 9.837 ( -1.901 13.636 2.152) 13.935 9.923 ( 4.993 11.628 -0.213) 12.656 10.302 ( -2.675 -1.925 -0.211) 3.302 10.644 ( 0.671 4.861 -1.993) 5.296 10.915 ( 5.621 -8.558 2.704) 10.590 11.149 ( 2.926 -15.578 0.173) 15.852 14.980 ( -9.789 7.181 3.415) 12.612 15.150 ( -12.402 8.691 -4.013) 15.666 16.253 ( -9.832 13.986 -1.306) 17.146 16.488 ( -4.546 5.172 -1.320) 7.011 20.073 ( -0.188 -23.858 3.041) 24.052 20.843 ( 11.321 -23.476 -10.478) 28.091======================= Grid point 459 (220/322) =======================q-point: (-0.15 -0.38 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.740 ( -13.934 -6.386 8.707) 17.628 2.223 ( -15.912 -14.588 2.805) 21.769 2.703 ( 3.133 -2.304 3.270) 5.081 3.035 ( 3.236 -8.370 -0.389) 8.983 3.121 ( -7.173 -10.732 -0.409) 12.915 3.260 ( -0.193 -7.597 -0.373) 7.609 3.399 ( -1.020 -10.422 -1.877) 10.639 3.591 ( 4.031 0.410 -2.019) 4.527 3.833 ( -12.100 -19.561 -3.209) 23.224 3.994 ( -1.290 -4.554 0.842) 4.807 4.012 ( -2.776 -4.029 7.531) 8.981 4.364 ( 1.194 -2.764 1.925) 3.574 4.563 ( 6.346 2.320 -1.272) 6.876 4.751 ( 1.079 2.070 2.065) 3.117 5.087 ( 5.941 -5.876 -3.852) 9.201 5.413 ( 4.595 -5.257 -1.967) 7.254 5.865 ( 1.117 -30.953 -1.309) 31.001 6.236 ( 11.779 15.720 7.770) 21.125 6.395 ( 10.994 -33.371 -2.574) 35.229 6.840 ( 5.702 14.297 -1.308) 15.448 7.375 ( -10.524 10.087 3.843) 15.076 8.053 ( -6.865 -1.485 4.321) 8.247 8.329 ( 3.256 10.292 -8.471) 13.721 9.393 ( -5.825 -1.506 0.040) 6.016 9.512 ( -0.187 16.764 6.016) 17.812 9.721 ( 4.162 11.829 -2.630) 12.813 10.240 ( -1.326 7.044 -2.575) 7.616 10.497 ( -2.143 5.853 -0.796) 6.284 11.237 ( 3.959 -17.484 2.799) 18.144 11.548 ( 5.488 -21.928 -0.612) 22.613 14.825 ( -12.303 1.122 -0.710) 12.374 14.961 ( -8.486 4.894 0.867) 9.834 16.052 ( -5.466 3.725 0.639) 6.645 16.372 ( -3.906 3.794 -1.195) 5.575 20.529 ( -0.221 -21.351 2.954) 21.555 21.178 ( 6.590 -7.990 -7.420) 12.741======================= Grid point 460 (221/322) =======================q-point: (-0.08 -0.38 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.700 ( -11.440 4.857 7.267) 14.397 2.402 ( -11.111 -11.160 2.048) 15.881 2.727 ( 0.249 1.464 3.842) 4.119 3.142 ( 1.960 -1.950 3.325) 4.324 3.292 ( -6.770 -9.691 -1.505) 11.917 3.404 ( 3.750 -6.311 0.506) 7.359 3.564 ( -1.851 -8.195 -4.738) 9.646 3.645 ( 5.021 -3.488 -1.706) 6.347 4.002 ( -3.612 -3.332 3.238) 5.885 4.081 ( -9.889 -5.687 -0.013) 11.408 4.137 ( -1.751 -9.237 -2.954) 9.855 4.396 ( 5.371 1.935 2.503) 6.233 4.532 ( -0.309 2.049 -1.274) 2.433 4.781 ( 2.779 -4.900 2.190) 6.044 5.220 ( 7.607 -3.604 -0.843) 8.460 5.528 ( 0.934 -5.155 -2.270) 5.710 6.012 ( 15.707 9.649 2.146) 18.558 6.307 ( 1.563 -3.275 -0.265) 3.638 6.715 ( 0.780 -6.498 0.637) 6.576 7.031 ( 3.507 -7.688 1.076) 8.518 7.237 ( -3.981 -13.693 0.196) 14.261 8.027 ( -10.645 2.007 -0.249) 10.836 8.186 ( 3.799 2.364 -3.352) 5.591 9.235 ( 0.519 11.465 5.993) 12.947 9.321 ( -5.554 5.539 2.113) 8.124 9.518 ( 4.129 10.561 -2.549) 11.622 10.048 ( -0.420 9.439 -4.076) 10.290 10.427 ( -1.226 0.863 1.868) 2.395 11.593 ( -0.982 -17.249 -0.040) 17.277 12.017 ( 8.491 -20.543 -2.377) 22.355 14.781 ( -9.808 -2.433 -3.668) 10.750 14.854 ( -4.714 2.212 3.974) 6.550 16.003 ( -4.460 -0.931 0.704) 4.610 16.295 ( -2.849 1.795 -1.307) 3.613 20.887 ( -0.210 -14.770 1.552) 14.853 21.259 ( 2.201 0.094 -3.414) 4.062======================= Grid point 470 (222/322) =======================q-point: (-0.31 -0.31 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.371 ( -19.660 0.000 13.381) 23.782 1.465 ( -25.424 0.000 5.183) 25.947 2.480 ( -1.042 0.000 -4.320) 4.444 2.507 ( 11.513 -0.000 5.073) 12.581 2.619 ( -45.551 0.000 -2.543) 45.622 2.813 ( 5.443 -0.000 -3.750) 6.610 2.854 ( 8.236 -0.000 1.314) 8.340 3.227 ( -6.632 0.000 0.956) 6.701 3.415 ( -0.246 0.000 6.726) 6.730 3.792 ( 5.134 -0.000 8.544) 9.968 3.823 ( -0.799 0.000 -3.115) 3.216 3.980 ( -0.087 0.000 5.161) 5.162 4.152 ( 0.291 -0.000 0.209) 0.359 4.348 ( -0.360 0.000 -2.295) 2.323 4.851 ( 5.609 -0.000 -4.692) 7.313 5.070 ( 14.154 -0.000 1.683) 14.254 5.109 ( 1.632 -0.000 -5.179) 5.430 5.658 ( 12.683 -0.000 -2.793) 12.987 7.046 ( -6.961 0.000 20.744) 21.881 7.445 ( 7.332 -0.000 0.838) 7.380 8.102 ( 5.152 -0.000 10.764) 11.933 8.375 ( -2.137 0.000 1.984) 2.916 8.768 ( 1.886 -0.000 -16.629) 16.735 8.862 ( -5.075 0.000 0.006) 5.075 9.733 ( -0.884 0.000 0.105) 0.890 10.235 ( 1.351 -0.000 -2.627) 2.954 10.424 ( 9.595 -0.000 8.662) 12.927 10.666 ( 2.876 -0.000 3.101) 4.229 10.670 ( 0.912 -0.000 -0.508) 1.044 11.042 ( 2.060 -0.000 -5.492) 5.866 15.162 ( -6.778 0.000 7.790) 10.326 15.519 ( -6.521 0.000 -8.658) 10.839 16.617 ( -6.359 0.000 -2.325) 6.771 17.124 ( -13.684 0.000 -27.612) 30.817 19.461 ( 0.017 -0.000 0.144) 0.145 19.681 ( 0.105 -0.000 -0.106) 0.149======================= Grid point 471 (223/322) =======================q-point: (-0.23 -0.31 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.359 ( -17.227 -7.930 13.653) 23.368 1.553 ( -21.842 -18.173 5.214) 28.888 2.471 ( -36.612 -14.518 -0.137) 39.385 2.549 ( -3.283 -6.006 -2.508) 7.290 2.654 ( 7.487 -6.611 0.048) 9.988 2.943 ( 3.518 -8.359 -1.038) 9.128 2.985 ( 6.434 -8.239 0.448) 10.463 3.236 ( -6.106 -5.746 0.788) 8.422 3.535 ( 1.145 -8.148 4.407) 9.334 3.768 ( -1.451 -2.856 2.292) 3.939 3.974 ( -2.417 -0.608 6.728) 7.175 4.127 ( 7.201 -14.191 0.820) 15.934 4.288 ( 2.112 -13.445 2.301) 13.803 4.409 ( -2.106 -10.603 -3.746) 11.441 4.884 ( 4.261 -1.329 -5.034) 6.728 5.112 ( 2.695 -0.804 -5.001) 5.737 5.189 ( 15.010 -3.706 2.522) 15.665 5.694 ( 10.540 1.278 -3.635) 11.222 6.914 ( -4.694 11.669 17.503) 21.553 7.426 ( 7.590 7.198 0.905) 10.499 7.985 ( 1.544 19.309 4.897) 19.980 8.184 ( -1.847 8.645 4.082) 9.737 8.653 ( 1.430 5.804 -11.415) 12.885 9.025 ( -5.606 -13.219 -0.526) 14.368 9.859 ( -2.048 -7.779 -2.007) 8.291 10.178 ( 1.348 7.047 -0.511) 7.193 10.335 ( 5.881 9.219 3.525) 11.490 10.680 ( 0.021 0.190 -0.700) 0.726 10.814 ( 5.557 -8.572 4.170) 11.034 11.028 ( 4.332 0.711 -0.987) 4.500 15.077 ( -8.767 6.066 5.336) 11.922 15.277 ( -16.394 13.809 -10.536) 23.884 16.515 ( -12.356 12.021 -6.343) 18.369 16.584 ( -12.986 17.626 -4.774) 22.408 19.654 ( 0.028 -17.538 1.676) 17.618 20.260 ( 10.993 -40.844 -11.990) 43.964======================= Grid point 472 (224/322) =======================q-point: (-0.15 -0.31 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.491 ( -13.422 -11.263 11.874) 21.166 1.803 ( -19.539 -17.971 4.641) 26.949 2.632 ( -12.414 -10.488 -3.627) 16.651 2.725 ( -7.797 -17.789 1.904) 19.516 2.848 ( 1.908 -10.560 -3.157) 11.186 3.116 ( 1.406 -7.838 1.807) 8.166 3.202 ( 3.111 -9.978 0.085) 10.452 3.398 ( -7.852 -14.422 -0.152) 16.422 3.637 ( 2.070 -0.715 0.526) 2.252 3.854 ( -2.192 -5.751 -0.218) 6.158 3.995 ( 0.615 -1.148 8.715) 8.812 4.290 ( -0.492 -3.861 -0.696) 3.954 4.604 ( 8.598 -8.057 4.131) 12.486 4.693 ( -3.087 -10.819 -0.607) 11.267 4.980 ( 6.456 -7.781 -4.523) 11.076 5.248 ( -0.253 -16.212 -3.221) 16.531 5.387 ( 9.530 -8.027 -2.039) 12.626 5.887 ( 12.583 -19.961 -3.149) 23.806 6.645 ( 2.578 16.399 13.417) 21.345 7.228 ( 8.728 17.782 -1.417) 19.860 7.579 ( -5.477 16.932 1.587) 17.867 8.058 ( -4.593 4.560 6.288) 9.024 8.517 ( 2.707 7.964 -8.740) 12.131 9.241 ( -5.232 -10.463 -0.352) 11.704 9.811 ( -3.704 11.068 1.531) 11.771 9.974 ( 3.892 12.559 -1.171) 13.200 10.278 ( -1.523 0.097 0.152) 1.533 10.607 ( -4.125 5.990 -6.978) 10.079 11.029 ( 10.028 -9.012 8.249) 15.806 11.188 ( 3.547 -15.196 1.019) 15.638 14.809 ( -19.051 7.397 -3.681) 20.766 15.014 ( -9.645 5.552 1.820) 11.277 16.137 ( -9.326 9.253 -0.255) 13.140 16.429 ( -4.950 4.663 -0.684) 6.835 20.081 ( -0.203 -23.888 3.428) 24.134 20.942 ( 12.112 -21.622 -14.210) 28.568======================= Grid point 473 (225/322) =======================q-point: (-0.08 -0.31 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.624 ( -10.724 -6.386 9.327) 15.581 2.051 ( -14.904 -17.009 3.648) 22.908 2.719 ( -1.521 -3.255 -0.183) 3.597 3.005 ( -8.466 -12.961 0.910) 15.507 3.071 ( 2.008 -10.448 -2.078) 10.840 3.279 ( 1.776 -8.145 0.351) 8.343 3.388 ( -0.051 -7.935 -1.758) 8.128 3.611 ( -1.378 -4.538 -2.066) 5.173 3.697 ( -8.398 -13.309 -3.229) 16.064 3.967 ( -1.182 -6.871 -0.540) 6.993 4.039 ( 1.376 -1.085 8.673) 8.848 4.360 ( -1.778 -4.521 0.388) 4.874 4.634 ( 4.122 4.997 2.042) 6.792 4.777 ( 4.032 -0.218 2.102) 4.552 5.167 ( 8.252 -6.416 -2.441) 10.734 5.434 ( 0.456 -4.651 -2.477) 5.290 5.869 ( 0.217 -30.760 -1.614) 30.804 6.384 ( 8.668 10.480 6.187) 14.941 6.534 ( 14.345 -28.877 -1.618) 32.284 6.909 ( 6.993 15.549 -1.513) 17.116 7.270 ( -9.256 11.614 2.689) 15.093 7.971 ( -9.402 1.110 3.997) 10.277 8.352 ( 4.990 9.328 -6.477) 12.404 9.323 ( -5.890 -0.963 -0.234) 5.973 9.517 ( -2.098 14.864 5.430) 15.963 9.756 ( 3.405 11.733 -3.278) 12.649 10.219 ( -1.023 6.705 -2.291) 7.159 10.454 ( -4.279 3.793 -2.228) 6.137 11.299 ( 4.651 -12.843 4.423) 14.358 11.613 ( 5.749 -23.586 -0.711) 24.287 14.665 ( -12.810 -1.647 -2.446) 13.145 14.882 ( -6.798 3.486 2.632) 8.080 15.992 ( -5.090 2.568 0.686) 5.742 16.322 ( -3.909 3.251 -0.664) 5.127 20.535 ( -0.375 -21.165 3.239) 21.415 21.228 ( 6.352 -5.738 -8.942) 12.379======================= Grid point 484 (226/322) =======================q-point: (-0.23 -0.23 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.190 ( -25.100 0.000 7.822) 26.290 1.209 ( -16.360 0.000 16.515) 23.246 2.044 ( -48.879 0.000 3.456) 49.001 2.443 ( -2.036 0.000 -5.968) 6.305 2.670 ( 10.518 -0.000 2.059) 10.717 2.858 ( 3.753 -0.000 -1.880) 4.198 2.947 ( 6.970 -0.000 0.749) 7.010 3.145 ( -7.524 0.000 0.687) 7.555 3.436 ( 0.398 -0.000 5.792) 5.806 3.804 ( -0.775 0.000 -2.694) 2.803 3.865 ( 2.580 -0.000 4.945) 5.577 3.962 ( -4.905 0.000 4.304) 6.525 4.219 ( 9.943 -0.000 3.627) 10.584 4.312 ( -3.070 0.000 -4.834) 5.726 4.901 ( 6.574 -0.000 -2.934) 7.199 5.116 ( 1.772 -0.000 -4.391) 4.735 5.247 ( 13.463 -0.000 3.022) 13.798 5.775 ( 8.896 -0.000 -4.591) 10.011 7.009 ( -8.970 0.000 16.550) 18.825 7.540 ( 8.420 -0.000 0.601) 8.442 8.213 ( 7.315 -0.000 11.773) 13.861 8.351 ( -2.889 0.000 2.154) 3.604 8.736 ( 1.403 -0.000 -16.416) 16.475 8.795 ( -6.228 0.000 0.028) 6.228 9.725 ( -0.569 0.000 0.489) 0.751 10.236 ( 0.719 -0.000 -5.487) 5.534 10.551 ( 4.526 -0.000 0.597) 4.565 10.678 ( 0.775 -0.000 -0.717) 1.056 10.746 ( 11.712 -0.000 7.532) 13.925 11.086 ( 7.791 -0.000 3.714) 8.631 15.098 ( -8.395 0.000 5.944) 10.286 15.338 ( -19.241 0.000 -18.274) 26.536 16.532 ( -7.393 0.000 -2.849) 7.923 16.793 ( -26.948 0.000 -26.798) 38.004 19.462 ( 0.020 -0.000 0.141) 0.142 19.682 ( 0.104 -0.000 -0.111) 0.153======================= Grid point 485 (227/322) =======================q-point: (-0.15 -0.23 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.228 ( -13.387 -8.979 16.293) 22.920 1.323 ( -21.002 -19.375 7.405) 29.518 2.002 ( -38.259 -22.543 3.496) 44.544 2.532 ( -0.892 -9.252 -4.610) 10.375 2.746 ( 6.440 -2.650 -0.164) 6.966 2.973 ( 2.204 -7.971 0.114) 8.270 3.052 ( 4.039 -6.532 -0.243) 7.683 3.163 ( -6.449 -6.108 0.820) 8.920 3.561 ( 1.123 -8.161 3.853) 9.094 3.758 ( -0.899 -2.386 -1.206) 2.820 3.972 ( -1.725 -2.831 7.291) 8.009 4.177 ( 1.545 -14.788 -0.976) 14.900 4.322 ( -1.332 -8.734 -0.293) 8.840 4.408 ( 8.455 -13.387 -1.683) 15.922 4.942 ( 8.214 -0.219 -1.744) 8.400 5.123 ( 0.752 -1.225 -3.183) 3.492 5.350 ( 11.217 -2.934 1.113) 11.647 5.777 ( 5.535 0.711 -4.239) 7.008 6.901 ( -5.696 8.134 14.664) 17.710 7.516 ( 7.338 7.585 0.378) 10.560 8.022 ( 2.179 25.198 1.975) 25.369 8.182 ( -1.367 8.067 7.679) 11.221 8.635 ( 1.492 4.654 -10.244) 11.350 8.958 ( -5.445 -13.888 -0.298) 14.920 9.825 ( -3.023 -5.609 -0.932) 6.440 10.177 ( -0.232 5.354 -4.521) 7.011 10.409 ( 4.429 12.373 2.047) 13.301 10.614 ( -7.251 1.461 -8.098) 10.967 10.952 ( 12.012 -7.361 7.043) 15.750 11.112 ( 9.276 2.244 8.908) 13.055 14.884 ( -28.171 14.469 -11.419) 33.665 15.062 ( -12.236 5.121 1.501) 13.350 16.291 ( -17.903 14.144 -4.948) 23.346 16.485 ( -6.072 4.287 -0.504) 7.450 19.660 ( -0.028 -17.750 1.936) 17.855 20.347 ( 11.578 -44.636 -17.631) 49.369======================= Grid point 486 (228/322) =======================q-point: (-0.08 -0.23 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.400 ( -8.970 -11.488 13.655) 19.973 1.599 ( -17.824 -19.532 6.774) 27.296 2.390 ( -18.260 -27.401 -3.482) 33.112 2.733 ( 1.207 -11.060 1.491) 11.225 2.866 ( 2.245 -8.047 -2.747) 8.794 3.129 ( -0.230 -7.396 2.585) 7.838 3.226 ( -0.280 -9.389 -2.361) 9.685 3.301 ( -7.468 -11.463 -0.374) 13.686 3.657 ( 1.327 -0.690 0.520) 1.584 3.830 ( -1.799 -5.752 -1.760) 6.279 4.052 ( 3.820 -1.718 8.981) 9.910 4.278 ( -0.195 -2.411 -1.561) 2.879 4.604 ( -5.153 -11.566 1.605) 12.764 4.781 ( 12.467 -9.332 2.154) 15.721 5.050 ( 6.993 -9.326 -3.139) 12.072 5.221 ( -2.360 -13.126 -2.515) 13.572 5.456 ( 3.762 -4.654 -2.512) 6.490 6.000 ( 8.046 -22.291 -3.640) 23.977 6.712 ( 2.318 11.063 12.054) 16.525 7.320 ( 7.216 16.830 -1.011) 18.339 7.542 ( -1.373 21.598 0.675) 21.652 8.012 ( -6.631 7.103 6.347) 11.606 8.534 ( 4.685 6.681 -6.892) 10.681 9.183 ( -4.253 -10.106 -0.544) 10.978 9.761 ( -5.884 9.287 2.182) 11.209 10.000 ( 1.629 11.583 -3.104) 12.102 10.265 ( -1.020 2.643 0.113) 2.835 10.521 ( -5.792 4.335 -8.649) 11.276 11.163 ( 7.095 -7.987 5.973) 12.239 11.250 ( 6.477 -12.570 6.174) 15.430 14.570 ( -17.792 1.403 -3.061) 18.108 14.919 ( -8.568 4.348 2.340) 9.889 16.041 ( -6.977 5.699 0.420) 9.018 16.373 ( -4.275 4.194 -0.358) 5.999 20.089 ( -0.373 -23.885 3.848) 24.196 21.026 ( 10.638 -19.974 -17.989) 28.909======================= Grid point 498 (229/322) =======================q-point: (-0.15 -0.15 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.943 ( -21.811 0.000 11.264) 24.548 1.079 ( -17.139 0.000 17.449) 24.459 1.543 ( -38.307 0.000 12.855) 40.407 2.401 ( -1.552 0.000 -7.309) 7.471 2.761 ( 4.658 -0.000 -1.711) 4.962 2.887 ( 1.920 -0.000 -0.172) 1.927 3.017 ( 4.710 -0.000 0.273) 4.718 3.067 ( -6.012 0.000 2.646) 6.569 3.458 ( 0.474 -0.000 4.702) 4.726 3.790 ( -0.362 0.000 -2.218) 2.248 3.825 ( -8.082 0.000 -4.993) 9.500 3.963 ( 0.975 -0.000 8.553) 8.608 4.266 ( -0.992 0.000 -4.883) 4.983 4.380 ( 14.034 -0.000 2.530) 14.261 5.002 ( 11.348 -0.000 0.311) 11.352 5.107 ( -1.628 0.000 -1.824) 2.445 5.390 ( 9.818 -0.000 1.203) 9.891 5.826 ( 2.153 -0.000 -5.258) 5.682 6.958 ( -7.531 0.000 14.007) 15.903 7.637 ( 7.681 -0.000 0.407) 7.692 8.309 ( -0.665 0.000 4.594) 4.642 8.347 ( 4.378 -0.000 7.237) 8.458 8.694 ( -0.153 0.000 -14.632) 14.633 8.722 ( -6.111 0.000 0.022) 6.111 9.723 ( -0.131 0.000 0.841) 0.851 10.210 ( -2.047 0.000 -8.476) 8.719 10.499 ( -9.051 0.000 -7.084) 11.494 10.683 ( 0.497 -0.000 -0.898) 1.026 10.953 ( 16.549 -0.000 1.263) 16.597 11.299 ( 23.611 -0.000 17.470) 29.371 14.862 ( -40.986 0.000 -24.546) 47.774 15.046 ( -12.557 0.000 2.512) 12.806 16.340 ( -23.405 0.000 -11.513) 26.083 16.502 ( -8.921 0.000 -2.370) 9.230 19.462 ( 0.009 -0.000 0.138) 0.138 19.683 ( 0.087 -0.000 -0.116) 0.145======================= Grid point 499 (230/322) =======================q-point: (-0.08 -0.15 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.109 ( -18.254 -15.356 12.053) 26.726 1.158 ( -9.469 -16.236 16.032) 24.705 1.658 ( -22.770 -28.426 9.473) 37.633 2.506 ( -0.645 -10.831 -5.557) 12.190 2.790 ( 1.810 -2.214 -2.707) 3.938 2.992 ( 0.468 -8.047 -0.493) 8.076 3.045 ( -4.065 -3.183 0.461) 5.183 3.130 ( 0.121 -6.019 1.762) 6.273 3.586 ( 1.111 -8.000 3.384) 8.757 3.726 ( -3.616 -2.339 -4.337) 6.112 3.985 ( 0.786 -8.078 5.892) 10.029 4.175 ( -0.916 -16.724 -0.946) 16.776 4.301 ( 0.349 -4.974 -2.012) 5.377 4.525 ( 8.993 -10.923 -3.349) 14.540 5.055 ( 9.354 0.990 -1.378) 9.506 5.117 ( 1.724 -1.703 1.823) 3.033 5.452 ( 6.150 -0.473 -0.334) 6.177 5.790 ( -1.226 -1.502 -3.776) 4.245 6.885 ( -4.172 5.383 12.999) 14.675 7.592 ( 5.310 8.634 0.197) 10.138 8.036 ( -0.204 23.426 0.032) 23.427 8.191 ( -2.364 13.138 7.924) 15.524 8.630 ( 2.843 2.197 -7.563) 8.373 8.907 ( -2.615 -14.782 -0.250) 15.013 9.784 ( -3.882 -2.519 0.515) 4.656 10.134 ( -4.629 3.780 -8.068) 10.040 10.416 ( -5.230 4.172 -2.634) 7.191 10.516 ( -2.520 9.188 -4.270) 10.441 11.082 ( 8.277 -2.972 0.977) 8.849 11.296 ( 12.333 7.359 16.198) 21.649 14.492 ( -26.131 3.605 -6.192) 27.095 14.948 ( -10.422 3.441 2.655) 11.292 16.113 ( -10.860 6.133 -0.551) 12.484 16.423 ( -4.264 3.219 -0.374) 5.355 19.665 ( -0.182 -17.969 2.189) 18.102 20.409 ( 9.520 -47.314 -22.777) 53.367======================= Grid point 512 (231/322) =======================q-point: (-0.08 -0.08 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.776 ( -13.037 0.000 14.811) 19.731 0.884 ( -21.518 0.000 16.427) 27.072 1.324 ( -10.744 0.000 25.325) 27.510 2.364 ( -0.419 0.000 -8.304) 8.315 2.762 ( -1.588 0.000 -7.223) 7.396 2.902 ( 0.287 -0.000 1.250) 1.283 3.041 ( -0.786 0.000 6.561) 6.608 3.057 ( 2.148 -0.000 -0.210) 2.159 3.474 ( -0.096 0.000 3.842) 3.843 3.702 ( -9.197 0.000 -6.363) 11.183 3.783 ( 0.413 -0.000 -1.826) 1.872 3.998 ( 0.958 -0.000 5.696) 5.777 4.265 ( 3.017 -0.000 -3.317) 4.484 4.497 ( 2.637 -0.000 -3.685) 4.532 5.071 ( 0.943 -0.000 -1.446) 1.726 5.173 ( 13.334 -0.000 3.987) 13.918 5.486 ( 6.858 -0.000 -0.225) 6.862 5.792 ( -4.949 0.000 -4.639) 6.783 6.930 ( -4.696 0.000 13.093) 13.910 7.711 ( 4.506 -0.000 0.306) 4.517 8.288 ( -3.212 0.000 2.525) 4.086 8.400 ( -2.173 0.000 1.335) 2.550 8.662 ( -3.926 0.000 -0.003) 3.926 8.666 ( 3.616 -0.000 -6.917) 7.805 9.727 ( 0.279 -0.000 1.063) 1.099 10.092 ( -14.889 0.000 -11.600) 18.874 10.367 ( -7.228 0.000 -3.755) 8.145 10.684 ( 0.148 -0.000 -1.010) 1.021 11.116 ( 11.940 -0.000 0.202) 11.942 11.589 ( 9.444 -0.000 4.301) 10.378 14.371 ( -16.171 0.000 -1.237) 16.218 14.924 ( -11.711 0.000 2.043) 11.888 16.112 ( -10.967 0.000 -0.696) 10.989 16.434 ( -3.666 0.000 -0.537) 3.705 19.463 ( -0.012 0.000 0.136) 0.137 19.683 ( 0.056 -0.000 -0.118) 0.131======================= Grid point 513 (232/322) =======================q-point: ( 0.00 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.987 ( 0.459 -0.000 6.783) 6.799 1.096 ( 2.945 -0.000 7.301) 7.872 1.782 ( 1.423 -0.000 11.865) 11.950 2.196 ( 0.285 -0.000 -4.543) 4.552 2.551 ( -0.621 0.000 -5.156) 5.193 2.946 ( 0.001 -0.000 1.665) 1.665 3.041 ( -0.589 0.000 -1.192) 1.330 3.187 ( -0.323 0.000 3.134) 3.150 3.489 ( -2.973 0.000 -2.734) 4.039 3.538 ( -0.650 0.000 1.927) 2.033 3.757 ( 0.784 -0.000 -1.131) 1.376 4.064 ( -0.340 0.000 0.891) 0.953 4.262 ( 0.147 -0.000 -1.831) 1.836 4.346 ( -2.680 0.000 -1.083) 2.890 5.137 ( 1.633 -0.000 1.050) 1.942 5.321 ( 3.171 -0.000 0.670) 3.241 5.533 ( 1.312 -0.000 -0.387) 1.368 5.632 ( -2.333 0.000 -3.074) 3.860 7.121 ( -2.999 0.000 6.329) 7.003 7.740 ( -0.349 0.000 0.149) 0.380 8.257 ( -8.110 0.000 2.170) 8.396 8.354 ( 3.057 -0.000 -0.763) 3.151 8.639 ( 0.109 -0.000 -0.022) 0.112 8.691 ( 4.569 -0.000 -1.631) 4.852 9.752 ( 0.251 -0.000 0.508) 0.566 9.790 ( -5.182 0.000 -1.752) 5.470 10.284 ( 0.106 -0.000 -1.180) 1.185 10.664 ( -0.090 0.000 -0.475) 0.484 11.227 ( -0.749 0.000 0.626) 0.977 11.520 ( -3.470 0.000 0.361) 3.489 14.646 ( 12.206 -0.000 0.430) 12.213 14.790 ( -0.885 0.000 -0.478) 1.006 16.092 ( 1.581 -0.000 0.425) 1.637 16.400 ( -0.237 0.000 -0.246) 0.341 19.465 ( -0.018 0.000 0.062) 0.064 19.681 ( 0.009 -0.000 -0.053) 0.054======================= Grid point 514 (233/322) =======================q-point: ( 0.08 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.281 ( 7.894 -14.283 3.871) 16.772 1.408 ( 8.172 -28.915 5.689) 30.582 1.782 ( -0.941 -0.618 3.101) 3.299 2.404 ( -1.027 -17.625 -1.307) 17.704 2.627 ( 7.895 -6.281 -3.353) 10.631 2.968 ( -0.399 -1.267 0.998) 1.661 3.069 ( -1.035 -3.549 -0.361) 3.714 3.167 ( -2.584 -1.490 3.105) 4.305 3.512 ( -1.195 -6.613 -0.848) 6.773 3.661 ( -1.150 -7.321 1.637) 7.589 4.085 ( -0.374 -24.041 -1.962) 24.124 4.119 ( -1.194 -4.604 1.642) 5.032 4.318 ( -7.086 -8.922 -0.883) 11.428 4.399 ( 6.869 -9.191 -0.015) 11.474 5.119 ( -3.217 1.230 -0.320) 3.458 5.332 ( 0.101 -0.247 -1.053) 1.086 5.497 ( -1.014 7.801 -1.377) 7.986 5.634 ( 0.328 -7.949 -0.261) 7.960 7.061 ( -4.727 4.713 6.931) 9.623 7.624 ( -2.768 10.215 0.308) 10.588 7.999 ( -5.696 20.294 2.406) 21.216 8.206 ( 3.641 10.086 0.013) 10.723 8.679 ( 3.150 1.025 -1.581) 3.671 8.882 ( 2.194 -12.976 -2.023) 13.315 9.740 ( -2.524 1.175 3.349) 4.356 9.834 ( 1.790 -4.330 -2.087) 5.129 10.307 ( 1.497 -1.819 -0.418) 2.392 10.478 ( -0.766 14.979 -0.551) 15.009 11.166 ( -7.130 0.400 1.340) 7.266 11.551 ( 2.014 -1.068 1.954) 3.002 14.583 ( -7.442 2.632 -3.403) 8.596 14.811 ( 20.648 6.221 0.497) 21.571 16.065 ( 4.210 4.220 -0.120) 5.962 16.377 ( 1.502 2.488 -0.091) 2.907 19.718 ( -0.699 -22.125 1.865) 22.215 20.089 ( 0.360 -34.111 -6.871) 34.798======================= Grid point 515 (234/322) =======================q-point: ( 0.15 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.664 ( 10.331 -16.791 0.765) 19.729 1.749 ( 0.936 -2.117 7.310) 7.668 2.086 ( 7.084 -26.632 -4.308) 27.893 2.716 ( -2.274 -14.074 -0.385) 14.262 2.854 ( 2.620 -10.699 -1.230) 11.084 3.024 ( 7.493 -4.852 1.158) 9.002 3.171 ( -0.261 -7.621 0.707) 7.659 3.259 ( -1.607 -7.827 2.539) 8.384 3.662 ( -3.297 0.402 1.308) 3.569 3.735 ( 1.015 -10.783 0.158) 10.832 4.204 ( -2.126 -5.023 2.263) 5.905 4.301 ( -1.176 -0.599 -1.822) 2.250 4.572 ( 2.485 -15.558 0.361) 15.759 4.901 ( -0.709 -23.328 1.382) 23.380 5.110 ( -3.126 -11.979 -2.363) 12.603 5.304 ( -5.766 1.980 -3.408) 6.984 5.384 ( 1.832 0.066 0.604) 1.930 5.930 ( -1.865 -22.615 0.038) 22.692 6.914 ( -9.126 6.976 6.603) 13.249 7.340 ( -5.442 16.124 0.561) 17.027 7.548 ( -0.349 22.013 -0.121) 22.016 8.022 ( 5.965 10.346 1.172) 12.000 8.631 ( 1.582 5.490 -5.162) 7.700 9.089 ( 2.136 -6.596 -0.288) 6.939 9.664 ( -2.955 5.606 4.942) 8.036 9.890 ( 3.774 4.618 -1.706) 6.203 10.230 ( 0.855 3.136 0.590) 3.303 10.331 ( 1.836 4.000 -1.607) 4.685 11.248 ( -3.631 -13.092 0.854) 13.614 11.551 ( -2.843 0.501 1.115) 3.095 14.520 ( -1.405 0.635 -2.395) 2.848 14.811 ( 14.481 3.511 1.143) 14.945 15.998 ( 3.762 4.520 0.067) 5.881 16.329 ( 2.701 3.316 -0.147) 4.280 20.190 ( -1.681 -24.104 3.640) 24.435 20.706 ( -0.502 -26.719 -8.115) 27.929======================= Grid point 516 (235/322) =======================q-point: ( 0.23 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.744 ( 2.711 2.510 3.066) 4.801 2.065 ( 9.705 -15.364 0.016) 18.173 2.547 ( 4.882 -15.719 0.468) 16.467 2.922 ( 0.857 -8.312 0.591) 8.377 3.053 ( -2.281 -12.552 0.702) 12.776 3.193 ( 4.954 -5.352 0.122) 7.294 3.333 ( -1.281 -6.886 1.878) 7.251 3.485 ( 6.314 -13.482 0.954) 14.918 3.591 ( -2.574 1.222 -0.260) 2.861 3.991 ( 1.334 -11.083 -0.344) 11.168 4.249 ( -0.527 0.892 0.039) 1.037 4.316 ( -0.126 -3.515 0.924) 3.636 4.756 ( -1.875 -2.830 0.770) 3.481 4.943 ( -1.584 1.779 -1.580) 2.859 5.273 ( -5.197 -2.869 -2.461) 6.427 5.392 ( -0.075 -4.550 -1.245) 4.717 5.788 ( 0.213 -34.182 0.734) 34.191 6.383 ( -5.438 -15.485 2.819) 16.652 6.777 ( -16.205 -7.890 1.343) 18.074 6.963 ( -7.377 15.987 -0.331) 17.610 7.204 ( 8.143 15.455 0.957) 17.496 7.912 ( 10.173 5.539 0.507) 11.594 8.469 ( -2.422 9.120 -6.233) 11.309 9.160 ( 3.358 1.072 2.185) 4.147 9.524 ( -2.209 7.499 5.471) 9.542 9.695 ( 0.415 11.567 -1.279) 11.645 10.183 ( 1.436 10.474 -1.536) 10.683 10.331 ( 5.246 -5.936 -0.534) 7.940 11.542 ( -5.567 -5.065 -1.303) 7.638 11.597 ( -2.932 -20.449 1.825) 20.739 14.526 ( 2.284 -1.006 -0.389) 2.526 14.853 ( 10.129 -0.121 0.159) 10.131 15.949 ( 3.577 2.341 0.313) 4.287 16.288 ( 3.230 2.491 -0.520) 4.112 20.607 ( -1.534 -18.670 2.647) 18.919 21.073 ( -0.676 -12.766 -4.510) 13.556======================= Grid point 517 (236/322) =======================q-point: ( 0.31 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.666 ( 5.659 8.861 4.001) 11.249 2.366 ( 7.644 -10.078 0.143) 12.650 2.731 ( 0.005 -2.625 2.494) 3.621 3.118 ( 3.300 -8.280 3.678) 9.643 3.281 ( 0.739 -6.397 -1.620) 6.641 3.300 ( 2.797 -9.061 1.179) 9.556 3.429 ( -2.647 -4.951 0.816) 5.673 3.619 ( -4.866 -6.423 0.828) 8.101 3.796 ( 9.484 -11.303 0.574) 14.766 4.100 ( 2.616 0.602 -2.492) 3.663 4.261 ( -0.971 -2.932 -1.830) 3.590 4.387 ( 1.888 -2.059 3.127) 4.193 4.710 ( -7.538 2.770 -3.558) 8.783 4.934 ( 2.478 -0.847 -1.135) 2.854 5.299 ( -5.519 -2.271 -0.159) 5.970 5.495 ( -1.288 -6.468 -1.266) 6.715 6.217 ( -9.932 -0.892 0.126) 9.972 6.306 ( -7.283 1.565 1.067) 7.526 6.764 ( -2.842 -3.194 0.162) 4.279 7.024 ( 8.579 8.386 2.733) 12.304 7.192 ( -7.932 -28.202 -0.747) 29.305 7.911 ( 13.072 2.711 -1.210) 13.405 8.276 ( -4.906 5.547 -3.974) 8.404 9.108 ( 2.594 5.856 4.589) 7.879 9.370 ( -1.873 7.733 4.229) 9.011 9.517 ( 0.454 6.746 -1.535) 6.933 9.985 ( 1.146 9.178 -1.842) 9.431 10.422 ( 3.196 -1.052 -0.113) 3.367 11.668 ( -2.578 -10.981 -1.196) 11.343 11.988 ( -4.531 -19.489 0.397) 20.013 14.579 ( 3.583 -2.407 1.027) 4.437 14.916 ( 6.957 -0.874 -1.027) 7.087 15.958 ( 4.034 -1.026 0.427) 4.184 16.268 ( 2.915 1.330 -1.049) 3.371 20.908 ( -0.791 -12.558 1.279) 12.648 21.217 ( -0.012 -3.653 -2.005) 4.167======================= Grid point 518 (237/322) =======================q-point: ( 0.38 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.487 ( 6.398 12.774 5.357) 15.258 2.553 ( 5.580 -5.260 0.889) 7.720 2.725 ( -0.166 2.307 2.771) 3.609 3.207 ( -1.547 -1.570 2.012) 2.985 3.438 ( 6.481 -6.601 -0.231) 9.254 3.498 ( -4.253 -8.631 2.426) 9.923 3.517 ( 1.906 -5.176 0.372) 5.528 3.721 ( -4.785 -5.787 0.977) 7.572 4.016 ( 5.696 -5.402 1.157) 7.935 4.088 ( 5.944 0.648 -1.087) 6.077 4.293 ( -0.954 -1.221 -3.689) 4.002 4.410 ( 0.781 1.015 3.041) 3.300 4.590 ( -8.030 3.677 -5.449) 10.377 4.991 ( 2.542 -3.151 -2.385) 4.699 5.300 ( -2.947 -0.810 1.159) 3.268 5.606 ( -1.367 -5.528 -1.357) 5.854 5.989 ( -14.506 7.227 -1.294) 16.258 6.253 ( -0.308 4.262 0.481) 4.300 6.891 ( 0.974 -3.631 1.100) 3.917 6.984 ( 3.796 -0.516 2.011) 4.327 7.589 ( -3.423 -14.124 -0.320) 14.536 7.877 ( 3.161 4.700 -4.559) 7.271 8.299 ( 3.963 -9.020 1.484) 9.964 9.001 ( 0.140 6.328 5.609) 8.457 9.225 ( -2.131 6.183 3.402) 7.371 9.383 ( 0.335 8.041 -3.005) 8.591 9.861 ( 0.642 3.439 -1.665) 3.875 10.456 ( 0.847 -2.156 0.446) 2.359 11.891 ( 0.508 -11.194 -2.275) 11.434 12.278 ( -4.392 -12.487 0.156) 13.238 14.657 ( 3.349 -3.085 1.848) 4.914 14.954 ( 3.872 0.113 -1.595) 4.190 16.027 ( 3.958 -3.069 0.135) 5.010 16.259 ( 1.703 1.007 -1.327) 2.382 21.097 ( -0.123 -7.109 0.174) 7.112 21.241 ( 0.400 0.426 -0.527) 0.787======================= Grid point 519 (238/322) =======================q-point: ( 0.46 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.320 ( 2.906 5.963 4.896) 8.245 2.647 ( 0.414 -2.350 1.944) 3.078 2.685 ( 1.849 1.939 1.810) 3.233 3.216 ( -1.422 -0.344 0.638) 1.596 3.537 ( -3.959 -2.454 2.837) 5.454 3.577 ( 2.928 -1.843 -2.078) 4.035 3.656 ( 3.859 -4.076 2.756) 6.253 3.786 ( -3.163 -3.039 -0.496) 4.414 4.059 ( 0.518 -0.125 -0.423) 0.680 4.172 ( 8.410 -1.894 3.318) 9.237 4.296 ( 0.566 0.094 -2.659) 2.720 4.375 ( -5.063 1.648 -0.559) 5.353 4.478 ( -4.357 2.360 -3.419) 6.020 5.047 ( 1.414 -1.175 -2.833) 3.377 5.308 ( 0.604 -0.316 1.187) 1.368 5.676 ( -1.162 -2.173 -1.019) 2.666 5.823 ( -5.518 3.166 -0.790) 6.410 6.187 ( 0.153 1.892 0.302) 1.922 6.915 ( 0.768 0.284 1.580) 1.779 7.033 ( 0.642 -1.578 0.870) 1.913 7.668 ( 0.580 1.919 -2.101) 2.904 7.867 ( -2.766 -3.138 -1.956) 4.618 8.587 ( 8.429 -13.937 2.745) 16.517 8.866 ( -4.783 8.015 5.327) 10.747 9.129 ( -2.974 2.123 2.712) 4.550 9.212 ( 1.691 7.378 -4.008) 8.565 9.838 ( 0.322 -0.159 -1.410) 1.455 10.510 ( 0.122 -2.059 0.348) 2.091 12.052 ( 0.356 -4.374 -2.419) 5.011 12.426 ( -1.149 -4.526 -0.652) 4.714 14.731 ( 1.507 -2.344 1.631) 3.229 14.953 ( 1.127 1.089 -1.204) 1.976 16.100 ( 1.914 -1.885 -0.199) 2.694 16.242 ( 0.403 0.968 -1.096) 1.516 21.190 ( 0.153 -2.351 -0.329) 2.379 21.225 ( 0.115 0.793 0.220) 0.830======================= Grid point 520 (239/322) =======================q-point: (-0.46 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.346 ( -3.603 -7.942 2.438) 9.055 2.651 ( -1.064 2.008 1.510) 2.728 2.689 ( -2.716 -2.218 1.414) 3.781 3.217 ( 1.839 0.385 0.543) 1.956 3.523 ( -7.350 0.795 2.560) 7.824 3.590 ( 5.418 2.872 -1.723) 6.369 3.701 ( 1.564 1.687 -0.558) 2.368 3.784 ( 0.458 2.164 -1.269) 2.550 4.055 ( -1.054 0.314 0.160) 1.111 4.235 ( 2.038 0.082 0.803) 2.192 4.261 ( -10.721 2.679 -1.361) 11.134 4.330 ( 5.987 -1.473 1.427) 6.328 4.456 ( 1.017 -0.679 -0.542) 1.338 5.030 ( -0.418 2.878 -1.261) 3.170 5.315 ( 2.661 0.745 0.505) 2.809 5.668 ( -0.877 2.147 -0.226) 2.330 5.812 ( 5.622 -2.132 0.224) 6.016 6.192 ( 0.910 -1.922 -0.132) 2.131 6.913 ( -0.602 0.222 1.753) 1.867 7.045 ( -0.765 0.490 -0.117) 0.916 7.652 ( -0.953 -1.136 -0.730) 1.653 7.866 ( 0.476 2.637 -1.753) 3.202 8.588 ( -7.442 13.312 2.415) 15.441 8.923 ( 7.001 -10.942 1.043) 13.032 9.131 ( -4.236 -4.445 3.038) 6.850 9.173 ( 2.715 -2.593 -1.832) 4.177 9.840 ( 0.261 -0.043 -1.525) 1.547 10.512 ( -0.238 1.886 0.160) 1.908 12.040 ( -1.487 4.854 -1.276) 5.235 12.442 ( 3.588 3.494 -2.215) 5.476 14.755 ( -1.811 0.175 -0.579) 1.910 14.930 ( -0.807 0.997 0.834) 1.530 16.098 ( -1.995 1.928 -0.055) 2.775 16.237 ( 0.128 -0.423 -0.614) 0.757 21.184 ( -0.145 2.155 0.219) 2.171 21.229 ( -0.105 -0.403 -0.127) 0.436======================= Grid point 521 (240/322) =======================q-point: (-0.38 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.537 ( -8.097 -12.742 0.688) 15.112 2.553 ( -5.980 6.099 0.712) 8.572 2.737 ( -1.284 -2.966 1.627) 3.619 3.220 ( 2.940 0.824 0.629) 3.117 3.413 ( -7.925 6.722 1.358) 10.480 3.530 ( 1.920 4.545 -0.888) 5.013 3.594 ( -0.153 8.447 -5.556) 10.111 3.737 ( 5.691 4.530 -0.581) 7.297 4.042 ( -2.072 0.582 -0.046) 2.153 4.091 ( -13.849 5.375 -2.316) 15.035 4.228 ( 1.882 2.053 2.137) 3.510 4.450 ( 7.197 -4.378 1.801) 8.615 4.485 ( 1.359 -1.425 2.151) 2.916 4.945 ( -0.397 4.767 1.664) 5.065 5.315 ( 4.940 1.539 -0.182) 5.177 5.594 ( -0.185 4.755 -0.144) 4.761 5.966 ( 14.480 -7.217 0.911) 16.204 6.260 ( 0.836 -4.159 -0.197) 4.247 6.886 ( -0.851 3.754 1.543) 4.147 7.013 ( -3.760 0.163 -0.638) 3.817 7.592 ( 2.832 12.553 -0.631) 12.884 7.836 ( -3.318 -3.686 -0.791) 5.022 8.305 ( -4.177 10.305 0.957) 11.161 9.096 ( -0.962 -6.653 -3.123) 7.413 9.242 ( -0.367 -6.469 3.199) 7.226 9.322 ( 2.021 -9.335 0.993) 9.602 9.862 ( -0.032 -3.226 -1.547) 3.578 10.459 ( -1.012 2.330 0.201) 2.548 11.864 ( -0.965 11.425 0.257) 11.469 12.314 ( 5.735 12.121 -3.252) 13.798 14.703 ( -4.575 2.548 -2.692) 5.888 14.909 ( -2.815 0.577 2.806) 4.017 16.027 ( -3.945 2.876 0.137) 4.884 16.246 ( -1.160 -0.700 -0.085) 1.357 21.102 ( 0.052 6.652 -0.244) 6.657 21.233 ( -0.165 -0.079 0.187) 0.261======================= Grid point 522 (241/322) =======================q-point: (-0.31 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.691 ( -7.999 -6.818 1.690) 10.645 2.342 ( -7.954 11.690 2.270) 14.320 2.758 ( -1.329 1.442 -0.041) 1.961 3.176 ( -5.332 10.715 -2.151) 12.160 3.225 ( -0.718 2.321 3.146) 3.975 3.386 ( -2.002 10.241 -6.216) 12.146 3.452 ( 2.501 4.555 -1.111) 5.313 3.655 ( 4.971 6.237 -2.370) 8.320 3.823 ( -12.573 11.624 -2.246) 17.270 4.058 ( -1.224 0.117 1.601) 2.019 4.199 ( 1.891 2.131 3.861) 4.798 4.443 ( -3.163 3.196 -1.806) 4.846 4.625 ( 8.734 -5.438 4.723) 11.321 4.880 ( 0.705 1.806 3.485) 3.988 5.299 ( 6.445 3.907 -0.232) 7.540 5.490 ( 0.342 5.548 -0.754) 5.609 6.212 ( 10.653 -1.981 0.617) 10.853 6.326 ( 6.025 -2.377 -0.867) 6.535 6.758 ( 2.632 4.098 0.885) 4.950 7.049 ( -7.627 -7.079 0.451) 10.416 7.202 ( 6.378 27.644 -1.777) 28.426 7.889 ( -12.000 -4.249 0.382) 12.736 8.224 ( 5.263 -2.308 1.332) 5.900 9.195 ( -4.557 -5.288 -3.720) 7.910 9.386 ( -0.573 -8.414 3.330) 9.067 9.507 ( 1.544 -8.826 -1.345) 9.060 9.980 ( -0.364 -9.051 -1.339) 9.157 10.420 ( -3.030 1.175 0.113) 3.252 11.629 ( 2.258 11.818 2.281) 12.246 12.028 ( 5.056 19.485 -3.177) 20.379 14.612 ( -5.382 3.023 -2.343) 6.602 14.879 ( -5.405 0.461 2.631) 6.029 15.962 ( -4.173 0.981 0.104) 4.288 16.254 ( -2.300 -1.400 0.253) 2.704 20.915 ( 0.071 12.666 0.686) 12.685 21.214 ( 1.128 2.954 -1.758) 3.618======================= Grid point 523 (242/322) =======================q-point: (-0.23 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.716 ( -4.416 0.656 5.519) 7.099 2.015 ( -9.248 16.781 4.584) 19.701 2.595 ( -6.305 14.484 -3.778) 16.242 2.948 ( -1.761 7.765 -1.173) 8.048 3.072 ( 2.287 14.313 -0.913) 14.523 3.223 ( -5.019 4.673 -3.336) 7.626 3.354 ( -0.046 7.810 -0.316) 7.817 3.496 ( -8.699 12.525 -0.003) 15.250 3.613 ( 2.649 -0.636 -2.409) 3.637 3.975 ( 0.024 8.804 0.953) 8.856 4.212 ( 1.887 -1.741 3.935) 4.699 4.333 ( -1.434 5.540 -0.569) 5.750 4.738 ( 1.367 0.416 2.764) 3.111 4.899 ( 4.839 -2.159 2.403) 5.818 5.236 ( 6.675 5.629 0.852) 8.773 5.389 ( -0.220 4.963 -0.864) 5.043 5.819 ( -0.827 32.636 -2.049) 32.711 6.443 ( 3.335 16.034 -3.056) 16.659 6.765 ( 14.961 4.260 2.786) 15.804 6.967 ( 7.736 -16.438 -0.784) 18.185 7.207 ( -8.507 -13.884 0.755) 16.300 7.906 ( -10.472 -5.726 0.914) 11.970 8.382 ( 6.441 -7.761 2.024) 10.287 9.216 ( -4.883 0.264 -3.026) 5.751 9.572 ( -1.588 -10.047 1.403) 10.268 9.703 ( 0.473 -11.381 -2.707) 11.708 10.175 ( -0.489 -9.825 -0.733) 9.864 10.341 ( -5.216 4.206 -1.600) 6.888 11.473 ( 5.370 7.734 4.687) 10.517 11.642 ( 3.457 19.454 -1.853) 19.846 14.525 ( -4.356 2.602 -0.319) 5.084 14.843 ( -8.214 -0.808 1.073) 8.323 15.950 ( -3.753 -2.098 0.209) 4.305 16.280 ( -2.722 -2.758 0.205) 3.880 20.608 ( 0.100 19.090 2.559) 19.261 21.090 ( 2.792 11.353 -6.100) 13.187======================= Grid point 524 (243/322) =======================q-point: (-0.15 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.590 ( -7.016 16.564 7.739) 19.583 1.685 ( -2.511 6.988 10.760) 13.073 2.131 ( -7.969 25.823 -6.056) 27.695 2.758 ( 2.808 17.255 -2.707) 17.690 2.821 ( -2.923 7.734 0.587) 8.289 3.056 ( -7.973 5.906 -2.401) 10.208 3.170 ( -0.453 7.638 0.925) 7.707 3.286 ( -1.031 7.426 0.064) 7.497 3.678 ( 2.117 -2.585 -0.251) 3.350 3.755 ( -2.688 11.217 -1.820) 11.677 4.213 ( 0.530 5.353 2.146) 5.791 4.279 ( 3.499 -0.766 -0.043) 3.582 4.571 ( -2.756 15.683 0.266) 15.926 4.906 ( 1.181 20.982 0.636) 21.024 5.088 ( 5.128 10.673 -0.114) 11.842 5.240 ( 5.728 0.691 2.588) 6.324 5.415 ( -0.214 1.192 -2.432) 2.717 5.963 ( 1.020 22.836 -3.123) 23.071 6.940 ( 3.417 -7.818 4.389) 9.595 7.360 ( 3.950 -16.052 -1.118) 16.569 7.547 ( 1.208 -23.700 -0.113) 23.731 8.019 ( -6.682 -10.469 1.383) 12.496 8.553 ( 4.885 -5.291 1.929) 7.455 9.109 ( -2.829 8.051 -1.877) 8.738 9.726 ( -2.240 -6.070 -0.533) 6.492 9.900 ( -3.602 -6.024 -3.154) 7.696 10.242 ( -1.501 -4.129 -0.551) 4.428 10.337 ( -1.854 -3.456 -2.531) 4.668 11.250 ( 2.918 12.270 0.657) 12.629 11.515 ( 4.807 0.568 4.828) 6.836 14.468 ( 0.066 1.709 2.625) 3.133 14.826 ( -11.670 -3.232 -0.362) 12.115 15.994 ( -3.550 -4.121 0.481) 5.461 16.329 ( -2.499 -3.545 -0.061) 4.338 20.185 ( 0.025 24.248 3.882) 24.557 20.738 ( 3.234 26.000 -11.031) 28.428======================= Grid point 525 (244/322) =======================q-point: (-0.08 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.236 ( -4.495 14.233 8.138) 17.000 1.379 ( -5.707 28.508 8.171) 30.200 1.759 ( 1.028 3.438 5.671) 6.712 2.407 ( 0.774 17.474 -1.709) 17.574 2.642 ( -6.695 5.733 -4.678) 9.979 2.971 ( -0.538 1.934 0.565) 2.086 3.069 ( 0.989 3.000 -0.065) 3.159 3.177 ( -0.518 2.406 1.981) 3.159 3.549 ( -3.643 5.971 -4.306) 8.213 3.660 ( 0.406 7.114 1.813) 7.353 4.063 ( 3.024 19.809 0.427) 20.043 4.142 ( -1.932 9.431 -0.644) 9.648 4.315 ( 5.632 7.099 -0.260) 9.065 4.424 ( -7.008 9.556 -3.086) 12.245 5.104 ( 4.744 -0.880 1.069) 4.942 5.292 ( 5.803 -0.150 2.623) 6.370 5.492 ( 2.552 -5.552 -0.596) 6.139 5.662 ( -3.648 6.349 -3.056) 7.934 7.076 ( -1.463 -4.760 5.580) 7.479 7.630 ( 1.713 -10.025 -0.245) 10.173 8.031 ( 0.390 -22.744 -0.185) 22.748 8.202 ( -3.508 -9.370 -0.373) 10.012 8.643 ( 3.031 -1.655 1.665) 3.834 8.876 ( -0.374 13.983 -1.042) 14.026 9.766 ( -2.200 0.185 1.038) 2.439 9.864 ( -5.510 2.484 -5.540) 8.199 10.311 ( -1.914 2.053 -0.818) 2.924 10.482 ( 0.571 -15.114 -0.870) 15.150 11.176 ( 5.034 -0.763 0.398) 5.107 11.545 ( -1.717 -0.823 2.677) 3.285 14.500 ( 12.802 -1.508 4.982) 13.820 14.821 ( -15.330 -3.759 -0.485) 15.792 16.056 ( -2.729 -3.604 0.804) 4.591 16.379 ( -1.701 -2.595 -0.273) 3.115 19.717 ( -0.097 21.939 1.944) 22.025 20.103 ( 1.524 34.940 -8.208) 35.923======================= Grid point 527 (245/322) =======================q-point: ( 0.08 0.08 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.068 ( 10.232 -0.000 3.952) 10.968 1.277 ( 23.783 -0.000 2.225) 23.887 1.782 ( -5.487 0.000 4.847) 7.321 2.199 ( 2.319 -0.000 -3.500) 4.199 2.628 ( 14.408 -0.000 -2.138) 14.566 2.941 ( -1.649 0.000 1.181) 2.029 3.015 ( -3.373 0.000 -0.244) 3.382 3.167 ( -4.112 0.000 2.991) 5.085 3.471 ( 0.287 -0.000 1.611) 1.636 3.535 ( -0.957 0.000 2.112) 2.319 3.764 ( 1.223 -0.000 -1.664) 2.065 4.065 ( -0.258 0.000 1.176) 1.205 4.173 ( -8.075 0.000 0.012) 8.076 4.398 ( 5.283 -0.000 0.161) 5.286 5.096 ( -8.082 0.000 -0.876) 8.129 5.325 ( -1.305 0.000 -2.429) 2.758 5.536 ( -1.639 0.000 -2.465) 2.960 5.611 ( -0.049 0.000 0.795) 0.796 7.094 ( -5.256 0.000 8.105) 9.660 7.706 ( -5.393 0.000 0.487) 5.415 8.179 ( -6.800 0.000 5.506) 8.749 8.385 ( 1.758 -0.000 0.869) 1.961 8.665 ( 4.212 -0.000 -0.119) 4.214 8.739 ( 5.477 -0.000 -6.127) 8.218 9.756 ( 0.210 -0.000 0.055) 0.217 9.782 ( 2.807 -0.000 4.025) 4.907 10.303 ( 3.622 -0.000 -0.845) 3.719 10.661 ( -0.272 0.000 -0.222) 0.351 11.084 ( -18.655 0.000 1.800) 18.741 11.576 ( 6.277 -0.000 2.728) 6.844 14.543 ( -8.075 0.000 -5.105) 9.553 15.065 ( 28.259 -0.000 -6.417) 28.978 16.170 ( 12.289 -0.000 -2.729) 12.588 16.417 ( 3.333 -0.000 0.034) 3.333 19.465 ( -0.044 0.000 0.063) 0.077 19.681 ( -0.025 0.000 -0.047) 0.053======================= Grid point 528 (246/322) =======================q-point: ( 0.15 0.08 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.407 ( 12.086 -18.329 0.963) 21.977 1.614 ( 23.151 -19.069 4.832) 30.380 1.756 ( -2.600 -1.989 -2.648) 4.210 2.393 ( 0.705 -15.539 -1.610) 15.638 2.752 ( 10.238 -3.873 -1.725) 11.081 2.979 ( 2.619 -4.153 0.842) 4.982 3.041 ( -3.524 -4.838 -0.036) 5.986 3.148 ( -1.247 -1.821 4.345) 4.874 3.522 ( 2.541 -6.258 3.327) 7.529 3.645 ( -2.342 -6.470 1.614) 7.067 4.055 ( -2.045 -18.918 -2.436) 19.184 4.110 ( -2.124 -6.572 2.504) 7.347 4.271 ( -1.034 -15.028 0.584) 15.075 4.459 ( 2.493 -7.345 -0.639) 7.783 5.035 ( -9.946 0.422 -1.036) 10.009 5.301 ( -3.120 1.038 -3.610) 4.883 5.457 ( -5.073 5.248 -1.648) 7.482 5.651 ( 0.813 -6.019 1.057) 6.165 7.018 ( -6.293 5.815 9.173) 12.552 7.569 ( -7.021 9.998 0.887) 12.250 7.949 ( -3.561 18.531 3.029) 19.112 8.255 ( 3.497 9.548 1.560) 10.288 8.703 ( 2.742 1.773 -5.483) 6.382 8.911 ( 3.804 -11.942 -1.938) 12.683 9.738 ( -0.037 2.300 3.778) 4.423 9.878 ( 5.634 -5.335 1.737) 7.952 10.340 ( 4.024 -0.556 0.155) 4.066 10.461 ( -2.088 14.387 -0.281) 14.541 11.056 ( -11.177 -5.330 1.739) 12.504 11.569 ( -1.371 2.674 0.507) 3.047 14.513 ( 0.686 -0.143 -3.717) 3.783 15.074 ( 21.702 10.431 -4.003) 24.409 16.152 ( 11.029 7.323 -1.821) 13.363 16.413 ( 4.535 2.737 -0.036) 5.297 19.712 ( -1.204 -21.883 1.586) 21.974 20.070 ( -0.528 -32.735 -4.942) 33.110======================= Grid point 529 (247/322) =======================q-point: ( 0.23 0.08 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.753 ( 2.767 -3.739 1.259) 4.819 1.835 ( 13.345 -14.212 -0.010) 19.495 2.207 ( 14.913 -23.235 -0.421) 27.612 2.702 ( -0.370 -14.884 0.201) 14.890 2.848 ( -2.368 -5.430 -0.203) 5.927 3.119 ( 3.119 -5.797 0.043) 6.583 3.174 ( 0.307 -8.848 1.287) 8.946 3.286 ( 7.555 -10.153 3.209) 13.056 3.633 ( -2.277 2.409 1.568) 3.667 3.760 ( 3.502 -11.992 1.949) 12.644 4.187 ( -1.803 -5.741 2.345) 6.458 4.273 ( -2.071 -2.184 -2.483) 3.902 4.614 ( 4.185 -14.599 0.928) 15.216 4.866 ( -6.891 -14.122 -0.190) 15.715 5.050 ( -5.219 -21.430 -3.068) 22.269 5.239 ( -3.536 -0.206 -2.801) 4.516 5.372 ( -3.372 -0.196 -0.088) 3.379 5.895 ( -5.159 -21.111 0.504) 21.738 6.816 ( -10.940 11.267 8.572) 17.892 7.251 ( -9.458 16.970 0.772) 19.443 7.571 ( 4.295 18.001 -0.199) 18.508 8.100 ( 5.987 8.359 1.770) 10.433 8.611 ( -1.219 7.165 -8.521) 11.200 9.129 ( 4.416 -7.132 0.750) 8.422 9.659 ( -0.825 6.168 5.659) 8.411 9.932 ( 3.157 8.742 0.234) 9.298 10.252 ( 2.477 -1.541 0.577) 2.974 10.356 ( 3.282 5.000 -0.759) 6.029 11.199 ( -4.867 -14.796 0.777) 15.595 11.491 ( -7.725 1.370 -1.060) 7.917 14.535 ( 5.751 -0.234 -0.974) 5.838 14.993 ( 15.499 7.211 -1.076) 17.128 16.060 ( 6.878 6.359 -0.255) 9.371 16.373 ( 4.722 3.744 -0.364) 6.037 20.178 ( -2.278 -24.140 3.061) 24.440 20.671 ( -1.685 -26.909 -5.751) 27.568======================= Grid point 530 (248/322) =======================q-point: ( 0.31 0.08 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.801 ( 5.697 0.949 2.510) 6.297 2.196 ( 12.814 -13.043 -1.030) 18.313 2.616 ( 5.462 -10.918 2.514) 12.464 2.948 ( 3.513 -11.070 1.051) 11.662 3.024 ( -3.381 -13.377 1.760) 13.909 3.242 ( 2.749 -4.686 0.452) 5.451 3.328 ( -0.464 -6.560 1.824) 6.824 3.504 ( -3.934 -2.521 1.553) 4.924 3.637 ( 10.071 -9.079 0.310) 13.563 4.020 ( 4.623 -9.994 -1.429) 11.104 4.242 ( -0.102 0.756 -1.372) 1.570 4.321 ( 0.227 -5.418 2.396) 5.928 4.709 ( -7.062 2.300 -0.440) 7.441 4.914 ( -1.400 -2.521 -2.848) 4.053 5.192 ( -7.392 -4.323 -3.743) 9.346 5.376 ( -2.068 -3.709 -0.361) 4.262 5.795 ( 0.377 -34.695 1.169) 34.717 6.320 ( -7.199 -8.346 4.112) 11.764 6.573 ( -18.683 -10.711 0.773) 21.550 6.883 ( -6.087 13.633 -0.008) 14.930 7.314 ( 10.254 13.187 1.336) 16.758 8.031 ( 9.418 3.362 0.850) 10.036 8.401 ( -5.126 10.119 -7.938) 13.845 9.220 ( 5.203 1.331 3.096) 6.199 9.522 ( -1.148 7.839 5.629) 9.719 9.693 ( -0.355 11.920 -0.443) 11.934 10.197 ( 1.836 10.765 -1.704) 11.053 10.398 ( 6.026 -4.860 -0.057) 7.742 11.460 ( -7.291 -7.156 -2.220) 10.454 11.558 ( -4.791 -19.925 1.847) 20.576 14.580 ( 6.951 -0.621 1.134) 7.071 14.977 ( 10.918 2.521 -1.308) 11.281 16.001 ( 5.130 2.916 0.326) 5.910 16.330 ( 4.133 3.059 -0.908) 5.221 20.596 ( -1.770 -19.031 2.389) 19.262 21.048 ( -1.310 -13.734 -3.514) 14.237======================= Grid point 531 (249/322) =======================q-point: ( 0.38 0.08 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.763 ( 8.697 8.374 4.646) 12.936 2.469 ( 9.756 -8.055 -0.021) 12.652 2.739 ( -0.028 -1.693 2.993) 3.439 3.169 ( 3.150 -4.778 2.414) 6.211 3.257 ( -5.139 -11.815 4.139) 13.532 3.335 ( 4.081 -6.115 -2.533) 7.776 3.442 ( 3.349 -5.180 1.507) 6.350 3.560 ( -5.635 -6.998 1.209) 9.066 3.908 ( 8.539 -9.740 1.945) 13.098 4.145 ( 6.495 0.415 -2.154) 6.856 4.239 ( -1.362 -2.376 -3.189) 4.204 4.419 ( 1.292 -1.924 3.758) 4.415 4.591 ( -10.073 2.784 -5.046) 11.605 4.935 ( -0.834 -1.908 -3.140) 3.768 5.237 ( -5.563 -3.950 -1.503) 6.987 5.467 ( -2.475 -6.639 -0.039) 7.086 6.044 ( -16.383 9.847 0.616) 19.124 6.281 ( -0.381 -6.900 0.786) 6.955 6.735 ( -2.322 -5.557 -0.028) 6.022 7.043 ( -7.088 -18.720 0.041) 20.017 7.203 ( 10.702 -2.451 2.679) 11.302 8.026 ( 5.835 6.167 -3.180) 9.066 8.217 ( -1.473 0.563 -2.114) 2.637 9.157 ( 2.871 7.281 5.245) 9.421 9.361 ( -1.760 8.200 3.780) 9.199 9.516 ( 0.202 6.643 -1.536) 6.822 9.995 ( 1.471 9.552 -1.734) 9.819 10.453 ( 1.729 0.623 -0.048) 1.838 11.635 ( -1.988 -13.621 -1.565) 13.854 11.931 ( -5.626 -19.242 0.823) 20.064 14.644 ( 6.697 -1.488 2.343) 7.249 14.995 ( 7.150 1.260 -2.169) 7.578 16.012 ( 4.751 -0.845 0.396) 4.841 16.299 ( 2.791 2.090 -1.426) 3.767 20.903 ( -0.741 -12.879 1.266) 12.962 21.209 ( -0.233 -4.464 -1.857) 4.840======================= Grid point 532 (250/322) =======================q-point: ( 0.46 0.08 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.588 ( 7.668 14.459 5.568) 17.288 2.617 ( 4.305 -2.672 1.425) 5.263 2.740 ( 1.550 1.618 2.406) 3.288 3.205 ( 0.943 -0.492 0.418) 1.143 3.405 ( -8.479 -7.030 3.600) 11.588 3.530 ( 7.857 -7.203 -0.853) 10.694 3.580 ( 4.660 -5.673 2.032) 7.617 3.666 ( -4.765 -6.462 0.514) 8.045 4.063 ( 2.871 -1.125 0.490) 3.122 4.171 ( 5.164 -2.084 2.421) 6.072 4.285 ( 2.493 -2.086 -3.423) 4.721 4.384 ( -7.855 3.026 -1.360) 8.526 4.498 ( -2.860 2.291 -2.595) 4.491 4.989 ( -0.817 -4.018 -3.745) 5.553 5.278 ( -2.008 -2.834 -0.841) 3.574 5.583 ( -1.771 -5.938 -0.011) 6.197 5.815 ( -13.925 3.472 -1.017) 14.387 6.253 ( -0.013 4.344 0.014) 4.344 6.898 ( -0.168 -6.254 0.110) 6.258 7.063 ( 8.065 3.831 2.231) 9.203 7.560 ( -1.064 -16.080 0.439) 16.121 7.854 ( -4.103 7.091 -3.736) 9.004 8.379 ( 7.916 -11.634 1.537) 14.155 9.015 ( -0.948 8.492 5.358) 10.086 9.208 ( -2.508 6.529 2.859) 7.556 9.376 ( 0.179 8.191 -3.132) 8.771 9.866 ( 0.974 3.779 -1.424) 4.154 10.460 ( -0.556 -1.914 0.484) 2.051 11.896 ( 1.490 -11.645 -1.851) 11.885 12.224 ( -4.841 -13.734 0.049) 14.562 14.715 ( 5.317 -1.554 2.731) 6.176 14.993 ( 3.847 1.835 -2.349) 4.867 16.074 ( 4.041 -2.297 0.029) 4.648 16.270 ( 0.850 1.789 -1.536) 2.506 21.097 ( 0.025 -7.223 0.208) 7.227 21.243 ( 0.239 0.170 -0.591) 0.660======================= Grid point 533 (251/322) =======================q-point: ( 0.54 0.08 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.367 ( 2.508 9.812 4.178) 10.956 2.648 ( -0.887 -0.455 2.573) 2.759 2.709 ( 0.869 3.061 1.029) 3.345 3.231 ( 3.670 -0.621 0.482) 3.753 3.463 ( -6.996 -3.194 2.866) 8.207 3.635 ( 3.441 -0.532 -1.296) 3.715 3.701 ( 3.375 -3.200 0.162) 4.654 3.763 ( 0.193 -4.253 0.915) 4.354 4.059 ( -0.775 0.670 0.011) 1.025 4.239 ( 1.379 -1.132 0.295) 1.808 4.253 ( -10.388 3.367 -2.358) 11.171 4.343 ( 6.364 -1.302 1.807) 6.742 4.455 ( -0.402 0.593 -1.374) 1.550 5.034 ( -2.007 -1.361 -2.915) 3.792 5.319 ( 1.068 -1.591 -1.055) 2.188 5.659 ( -1.505 -2.417 0.375) 2.871 5.755 ( -5.113 -3.208 -0.672) 6.074 6.190 ( 0.245 1.544 -0.383) 1.609 6.949 ( 3.180 0.561 0.443) 3.259 7.059 ( 4.104 1.346 1.435) 4.551 7.652 ( -2.455 2.567 -1.812) 3.988 7.838 ( -1.324 -5.397 0.250) 5.563 8.695 ( 8.494 -13.018 1.842) 15.653 8.817 ( -6.031 9.816 3.497) 12.039 9.096 ( -3.933 3.075 2.055) 5.399 9.221 ( 1.590 5.874 -2.671) 6.645 9.840 ( 0.645 0.028 -1.252) 1.408 10.507 ( -0.840 -2.145 0.325) 2.326 12.051 ( 0.585 -3.260 -1.152) 3.507 12.411 ( -0.811 -7.082 -1.611) 7.308 14.760 ( 2.502 0.055 1.766) 3.063 14.964 ( 1.449 2.198 -1.408) 2.986 16.119 ( 1.599 0.202 -0.182) 1.622 16.238 ( -0.447 0.889 -1.145) 1.517 21.191 ( 0.175 -2.270 -0.316) 2.298 21.227 ( 0.061 0.923 0.191) 0.945======================= Grid point 534 (252/322) =======================q-point: (-0.38 0.08 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.309 ( -3.787 -4.211 1.619) 5.890 2.628 ( -3.038 4.460 0.062) 5.397 2.672 ( -1.181 -2.431 2.752) 3.857 3.259 ( 4.262 0.636 1.022) 4.429 3.452 ( -5.491 1.294 1.457) 5.827 3.604 ( -2.876 3.489 -0.873) 4.605 3.725 ( 5.170 3.283 -3.821) 7.219 3.816 ( 4.253 0.135 1.163) 4.411 4.037 ( -2.853 0.680 0.572) 2.988 4.109 ( -10.451 4.095 -3.207) 11.673 4.260 ( 1.063 0.145 1.354) 1.727 4.420 ( 4.957 -2.364 1.010) 5.584 4.466 ( 1.470 -1.644 2.435) 3.285 5.006 ( -3.008 2.092 -1.129) 3.834 5.349 ( 4.168 -0.320 -1.174) 4.342 5.655 ( -1.841 1.748 0.984) 2.723 5.869 ( 3.889 -8.443 0.264) 9.299 6.200 ( 0.631 -2.224 -0.731) 2.425 6.944 ( 4.954 2.656 1.220) 5.752 7.040 ( 0.155 2.002 -0.102) 2.011 7.619 ( -4.697 -1.863 -0.054) 5.054 7.878 ( 2.017 2.211 -0.043) 2.993 8.516 ( -5.693 13.497 0.756) 14.668 8.986 ( 3.640 -5.939 -2.121) 7.281 9.097 ( -3.469 -8.162 6.082) 10.754 9.194 ( 2.036 -2.589 -2.067) 3.888 9.840 ( 0.545 0.149 -1.437) 1.544 10.505 ( -1.032 1.922 0.117) 2.184 12.026 ( -0.443 5.313 -0.057) 5.332 12.471 ( 2.709 1.608 -3.179) 4.476 14.737 ( -0.954 2.765 -0.698) 3.007 14.928 ( -0.009 1.798 0.819) 1.976 16.074 ( -1.959 3.574 -0.032) 4.076 16.233 ( -0.351 -0.262 -0.538) 0.694 21.184 ( -0.015 2.173 0.237) 2.186 21.226 ( -0.178 -0.235 -0.144) 0.328======================= Grid point 535 (253/322) =======================q-point: (-0.31 0.08 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.453 ( -6.411 -11.510 0.529) 13.186 2.496 ( -3.994 7.356 0.657) 8.396 2.730 ( -0.962 -3.036 1.839) 3.678 3.256 ( 1.984 1.544 1.710) 3.041 3.334 ( -5.214 7.897 -0.119) 9.463 3.484 ( -5.818 5.283 -2.947) 8.393 3.631 ( 6.092 8.207 -2.854) 10.612 3.802 ( 5.291 5.078 -1.551) 7.496 3.936 ( -10.704 6.931 -1.325) 12.820 4.028 ( -1.271 -1.168 0.829) 1.915 4.258 ( 1.989 1.411 2.573) 3.545 4.446 ( -2.207 -0.249 -2.777) 3.556 4.576 ( 6.700 -5.147 6.108) 10.426 4.932 ( -2.485 3.167 0.683) 4.083 5.377 ( 6.674 0.805 -0.862) 6.778 5.586 ( -1.889 4.120 0.772) 4.598 6.116 ( 10.084 -12.098 0.838) 15.772 6.269 ( 0.787 -3.947 -0.472) 4.052 6.895 ( 1.760 4.911 1.610) 5.460 6.979 ( -1.813 3.504 -1.179) 4.118 7.614 ( 0.039 5.219 -0.190) 5.223 7.781 ( -4.362 4.526 0.154) 6.288 8.285 ( 0.077 6.600 0.240) 6.605 9.058 ( -3.411 -4.910 -2.858) 6.626 9.248 ( -0.653 -6.327 4.162) 7.601 9.348 ( 2.129 -9.076 -0.512) 9.337 9.859 ( 0.347 -2.949 -1.491) 3.322 10.443 ( -1.583 2.783 0.109) 3.204 11.864 ( 0.538 10.521 1.024) 10.585 12.357 ( 3.437 11.441 -3.741) 12.518 14.655 ( -2.609 3.919 -1.882) 5.070 14.890 ( -1.759 2.056 1.986) 3.356 15.986 ( -3.095 3.448 0.077) 4.634 16.232 ( -0.991 -0.122 -0.039) 0.999 21.102 ( 0.061 6.646 -0.169) 6.649 21.232 ( -0.092 -0.368 0.082) 0.388======================= Grid point 536 (254/322) =======================q-point: (-0.23 0.08 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.622 ( -4.722 -7.890 1.974) 9.405 2.280 ( -3.891 12.893 2.189) 13.644 2.741 ( -1.479 3.001 0.178) 3.350 3.108 ( -4.702 10.490 -0.068) 11.496 3.237 ( 0.996 2.075 1.001) 2.510 3.317 ( -4.946 8.308 -4.989) 10.880 3.504 ( 5.908 7.455 -1.276) 9.597 3.676 ( -7.025 8.853 -2.526) 11.581 3.704 ( -0.141 9.674 -0.248) 9.678 4.065 ( 1.131 -0.829 0.867) 1.648 4.231 ( 1.654 2.644 3.475) 4.669 4.402 ( -2.872 2.724 -1.776) 4.339 4.725 ( 6.447 -4.318 4.562) 9.001 4.881 ( -2.000 0.168 1.403) 2.449 5.372 ( 6.419 3.984 -0.334) 7.562 5.483 ( -1.631 5.104 -0.170) 5.361 6.264 ( 0.867 9.538 -0.332) 9.583 6.440 ( 10.078 -11.708 0.140) 15.449 6.796 ( 3.301 1.385 1.158) 3.762 6.948 ( -8.244 -4.912 -0.485) 9.608 7.291 ( 7.648 26.203 -0.919) 27.312 7.752 ( -10.572 -4.154 0.181) 11.361 8.291 ( 5.039 -4.451 0.979) 6.794 9.131 ( -4.411 -4.729 -2.685) 7.002 9.388 ( -1.163 -8.032 3.979) 9.038 9.515 ( 0.905 -8.111 -2.289) 8.476 9.975 ( 0.207 -8.825 -1.345) 8.929 10.387 ( -2.343 2.453 -0.135) 3.395 11.666 ( 2.394 9.798 2.628) 10.423 12.060 ( 2.155 19.555 -3.308) 19.949 14.565 ( -2.094 3.332 -1.204) 4.115 14.832 ( -3.466 2.452 1.551) 4.520 15.922 ( -2.573 1.057 0.089) 2.783 16.234 ( -1.249 -0.897 0.152) 1.545 20.917 ( -0.183 12.423 0.870) 12.454 21.220 ( 0.938 2.550 -1.952) 3.346======================= Grid point 537 (255/322) =======================q-point: (-0.15 0.08 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.701 ( -1.267 -1.562 5.339) 5.705 1.959 ( -2.585 17.989 3.757) 18.558 2.528 ( -2.998 17.377 -2.992) 17.886 2.930 ( -0.991 6.475 -1.001) 6.626 3.093 ( 1.793 11.778 -1.952) 12.072 3.147 ( -4.984 7.942 -1.475) 9.491 3.353 ( -0.325 11.518 0.686) 11.543 3.426 ( -3.254 7.941 0.422) 8.592 3.633 ( 1.276 -0.758 -1.602) 2.184 3.979 ( 0.235 10.520 0.447) 10.532 4.240 ( 1.065 -2.313 2.495) 3.565 4.320 ( -0.626 4.017 -0.181) 4.070 4.755 ( 0.524 4.592 2.286) 5.157 4.942 ( 1.639 -4.863 1.089) 5.246 5.309 ( 5.352 4.359 0.446) 6.917 5.379 ( -1.073 4.880 -0.628) 5.036 5.801 ( -1.124 33.094 -1.454) 33.145 6.451 ( -0.474 19.543 -1.692) 19.622 6.909 ( 7.325 5.336 3.146) 9.593 7.047 ( 5.093 -16.263 -0.812) 17.061 7.124 ( -5.709 -17.619 0.260) 18.523 7.811 ( -5.008 -7.058 0.468) 8.667 8.454 ( 4.883 -7.677 0.471) 9.110 9.160 ( -3.218 -0.288 -2.112) 3.860 9.556 ( -2.433 -9.042 3.174) 9.888 9.697 ( 0.312 -10.820 -3.040) 11.244 10.171 ( 0.212 -9.853 -0.904) 9.896 10.292 ( -2.038 5.363 -1.392) 5.904 11.541 ( 3.460 7.169 4.649) 9.219 11.655 ( -0.138 18.501 -2.410) 18.658 14.507 ( 0.455 1.694 0.582) 1.848 14.766 ( -4.551 1.800 0.148) 4.896 15.920 ( -1.431 -1.941 0.213) 2.421 16.259 ( -0.868 -2.372 0.060) 2.527 20.614 ( -0.456 18.712 2.758) 18.920 21.097 ( 1.644 11.385 -6.025) 12.985======================= Grid point 538 (256/322) =======================q-point: (-0.08 0.08 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.577 ( 2.171 18.879 4.461) 19.520 1.714 ( 0.404 3.217 10.804) 11.280 2.065 ( -0.342 26.570 -6.044) 27.250 2.761 ( -4.161 10.060 -2.477) 11.165 2.803 ( 4.353 19.152 -0.127) 19.641 2.994 ( -1.679 2.270 -0.389) 2.850 3.171 ( -0.082 6.966 0.877) 7.022 3.274 ( -1.571 6.990 1.033) 7.239 3.689 ( -1.106 -2.221 0.546) 2.540 3.730 ( -0.382 12.301 -1.080) 12.354 4.218 ( -1.102 4.784 2.167) 5.366 4.305 ( 1.280 -0.974 -1.043) 1.918 4.556 ( 0.033 16.264 0.090) 16.264 4.903 ( -0.817 25.164 0.989) 25.197 5.126 ( 1.394 8.458 -0.968) 8.627 5.327 ( 6.558 -1.360 1.968) 6.981 5.378 ( -4.498 0.182 -2.832) 5.318 5.950 ( -1.218 23.440 -1.787) 23.539 6.965 ( -2.434 -5.522 5.432) 8.119 7.372 ( -0.762 -15.678 -0.161) 15.697 7.561 ( -0.204 -24.481 -0.163) 24.483 7.978 ( 0.010 -11.010 0.968) 11.052 8.607 ( 3.873 -4.801 -1.007) 6.250 9.083 ( -0.572 6.932 -1.474) 7.110 9.693 ( -3.838 -5.779 2.866) 7.507 9.870 ( 0.594 -3.311 -3.396) 4.780 10.228 ( -0.626 -5.204 0.041) 5.241 10.323 ( 0.395 -3.413 -1.908) 3.930 11.269 ( -0.318 11.947 0.910) 11.986 11.556 ( 0.664 0.436 2.812) 2.922 14.521 ( 4.429 -1.813 1.715) 5.083 14.722 ( -2.728 -0.039 -0.700) 2.816 15.975 ( 0.106 -3.774 0.309) 3.788 16.314 ( 0.045 -3.269 -0.085) 3.270 20.193 ( -0.824 24.146 3.956) 24.482 20.730 ( 1.261 26.375 -10.091) 28.267======================= Grid point 541 (257/322) =======================q-point: ( 0.15 0.15 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.236 ( 16.743 -0.000 1.179) 16.784 1.620 ( 33.434 -0.000 -0.704) 33.442 1.720 ( -5.177 0.000 0.874) 5.250 2.227 ( 4.140 -0.000 -2.267) 4.721 2.782 ( 8.191 -0.000 -3.067) 8.746 2.912 ( -3.896 0.000 -0.366) 3.913 2.965 ( -5.385 0.000 1.610) 5.620 3.157 ( 3.868 -0.000 3.442) 5.178 3.517 ( 6.104 -0.000 7.003) 9.290 3.529 ( -1.190 0.000 2.455) 2.728 3.774 ( 1.467 -0.000 -2.228) 2.667 4.051 ( -3.115 0.000 2.654) 4.092 4.126 ( -0.427 0.000 0.717) 0.835 4.416 ( -2.281 0.000 -2.056) 3.071 4.975 ( -11.516 0.000 -0.364) 11.521 5.291 ( -2.837 0.000 -4.502) 5.321 5.464 ( -7.557 0.000 -2.919) 8.101 5.618 ( -1.602 0.000 1.873) 2.464 7.066 ( -3.946 0.000 11.117) 11.797 7.627 ( -8.172 0.000 0.761) 8.207 8.137 ( -3.926 0.000 6.920) 7.956 8.396 ( -0.479 0.000 1.790) 1.853 8.727 ( 6.262 -0.000 -0.166) 6.264 8.773 ( 4.268 -0.000 -9.201) 10.143 9.758 ( 0.159 -0.000 -0.376) 0.408 9.861 ( 6.941 -0.000 6.721) 9.662 10.359 ( 5.986 -0.000 -0.022) 5.986 10.657 ( -0.386 0.000 0.022) 0.386 10.873 ( -18.160 0.000 2.780) 18.372 11.598 ( -4.559 0.000 0.134) 4.561 14.533 ( 8.988 -0.000 -1.658) 9.140 15.302 ( 16.853 -0.000 -9.119) 19.162 16.347 ( 19.985 -0.000 -7.243) 21.257 16.474 ( 6.278 -0.000 -0.116) 6.279 19.464 ( -0.063 0.000 0.065) 0.091 19.681 ( -0.049 0.000 -0.041) 0.064======================= Grid point 542 (258/322) =======================q-point: ( 0.23 0.15 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.569 ( 15.644 -18.022 -0.424) 23.869 1.721 ( -0.817 -2.875 -1.026) 3.160 1.948 ( 30.712 -13.409 0.981) 33.525 2.411 ( 2.832 -13.824 -1.009) 14.147 2.780 ( -3.334 -0.291 -1.176) 3.547 2.971 ( -5.757 -7.111 -0.582) 9.168 3.013 ( -2.516 -7.050 1.721) 7.680 3.224 ( 11.983 -3.042 1.251) 12.426 3.608 ( 10.103 -5.247 6.971) 13.349 3.620 ( -2.732 -5.329 1.855) 6.269 4.039 ( 0.653 -15.961 -0.734) 15.992 4.095 ( -1.591 -7.880 2.760) 8.500 4.276 ( 0.636 -16.548 0.631) 16.572 4.445 ( -3.470 -9.006 -3.074) 10.129 4.900 ( -12.477 0.387 -0.070) 12.483 5.236 ( -6.841 2.215 -5.122) 8.829 5.388 ( -4.837 2.625 -0.927) 5.581 5.630 ( -5.447 -4.413 0.507) 7.029 6.990 ( -3.858 7.883 12.350) 15.151 7.475 ( -9.250 10.425 1.367) 14.004 7.939 ( 0.280 16.716 2.760) 16.945 8.287 ( 0.900 7.773 2.377) 8.178 8.703 ( 0.957 3.962 -8.905) 9.793 8.958 ( 4.980 -11.697 -0.937) 12.748 9.755 ( 0.969 2.014 2.775) 3.563 9.963 ( 6.744 -4.951 4.100) 9.317 10.392 ( 2.447 6.224 2.090) 7.007 10.434 ( -0.587 7.982 -0.842) 8.047 10.940 ( -9.244 -9.526 1.769) 13.391 11.499 ( -9.890 4.274 -3.233) 11.249 14.596 ( 13.720 0.976 1.229) 13.810 15.264 ( 13.883 9.585 -6.208) 17.976 16.299 ( 15.314 11.802 -3.873) 19.718 16.478 ( 6.540 3.306 -0.345) 7.336 19.701 ( -1.438 -21.269 1.248) 21.354 20.048 ( -1.010 -31.183 -3.057) 31.349======================= Grid point 543 (259/322) =======================q-point: ( 0.31 0.15 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.794 ( 4.738 -4.161 0.384) 6.318 2.003 ( 15.458 -15.360 -1.869) 21.872 2.410 ( 17.721 -15.587 3.117) 23.806 2.704 ( 0.406 -14.400 -0.029) 14.405 2.814 ( -2.687 -6.391 1.052) 7.012 3.103 ( -3.813 -8.848 0.649) 9.656 3.166 ( -2.189 -9.168 1.921) 9.620 3.416 ( 9.834 -7.897 1.039) 12.655 3.617 ( -0.938 1.875 0.359) 2.127 3.847 ( 10.454 -10.350 2.271) 14.885 4.184 ( 0.152 -6.306 3.599) 7.262 4.249 ( -0.170 -2.534 -3.237) 4.114 4.672 ( 4.977 -13.915 1.964) 14.908 4.741 ( -13.063 -6.921 -2.525) 14.997 4.973 ( -6.187 -22.934 -3.920) 24.075 5.179 ( -7.416 -10.040 -0.529) 12.493 5.333 ( -2.064 0.394 -0.704) 2.216 5.803 ( -10.708 -20.404 -0.103) 23.043 6.729 ( -8.979 17.125 10.510) 22.008 7.145 ( -8.733 16.203 0.821) 18.425 7.640 ( 7.416 14.739 -0.237) 16.501 8.163 ( 3.399 5.814 2.265) 7.105 8.554 ( -3.333 8.910 -9.970) 13.780 9.190 ( 5.421 -7.830 1.149) 9.593 9.678 ( 0.958 6.826 5.355) 8.729 9.955 ( 0.419 12.904 1.291) 12.975 10.286 ( 3.205 -5.068 -0.349) 6.007 10.403 ( 4.660 5.050 1.109) 6.960 11.147 ( -4.228 -16.065 0.758) 16.629 11.366 ( -12.168 0.767 -3.439) 12.667 14.647 ( 12.671 1.741 2.398) 13.013 15.148 ( 11.964 8.087 -3.121) 14.774 16.151 ( 8.693 8.998 -0.677) 12.530 16.432 ( 5.508 4.520 -0.800) 7.169 20.158 ( -2.441 -24.221 2.452) 24.467 20.633 ( -2.121 -26.917 -3.703) 27.253======================= Grid point 544 (260/322) =======================q-point: ( 0.38 0.15 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.894 ( 8.989 -0.782 2.639) 9.400 2.348 ( 13.529 -11.254 -1.189) 17.639 2.670 ( 1.679 -5.919 3.565) 7.111 2.971 ( -3.704 -13.259 0.379) 13.772 3.038 ( 8.167 -12.617 4.275) 15.626 3.252 ( -1.124 -6.832 0.101) 6.925 3.335 ( 0.466 -7.832 1.605) 8.008 3.456 ( -4.635 1.519 1.934) 5.247 3.757 ( 9.626 -10.870 0.353) 14.524 4.084 ( 6.255 -8.014 -2.714) 10.522 4.248 ( 2.542 1.402 -2.489) 3.824 4.343 ( 2.165 -6.976 4.060) 8.357 4.588 ( -12.232 4.436 -2.622) 13.273 4.904 ( 0.809 -1.928 -2.277) 3.092 5.070 ( -11.491 -6.724 -4.618) 14.092 5.345 ( -3.226 -4.178 0.597) 5.312 5.805 ( 0.864 -34.758 0.936) 34.781 6.248 ( -7.314 2.441 4.872) 9.121 6.364 ( -17.004 -18.886 0.239) 25.414 6.821 ( -4.637 11.720 0.156) 12.605 7.448 ( 11.835 11.079 1.740) 16.304 8.126 ( 6.041 1.322 1.184) 6.296 8.310 ( -5.870 10.636 -7.976) 14.532 9.293 ( 5.453 1.706 3.144) 6.522 9.532 ( -0.045 8.894 5.153) 10.279 9.682 ( -1.375 11.803 -0.280) 11.886 10.214 ( 2.050 10.918 -1.647) 11.230 10.461 ( 4.460 -2.550 0.203) 5.141 11.364 ( -7.861 -9.919 -2.126) 12.834 11.506 ( -4.636 -20.203 1.212) 20.764 14.691 ( 10.544 0.966 3.171) 11.053 15.088 ( 9.030 4.127 -2.732) 10.297 16.065 ( 5.557 3.757 0.167) 6.710 16.373 ( 3.830 3.888 -1.277) 5.605 20.582 ( -1.715 -19.528 2.092) 19.715 21.022 ( -1.404 -14.614 -2.701) 14.927======================= Grid point 545 (261/322) =======================q-point: ( 0.46 0.15 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.891 ( 10.328 8.510 4.968) 14.275 2.580 ( 8.424 -5.490 0.649) 10.076 2.750 ( 0.493 -1.956 2.758) 3.417 3.173 ( -3.859 -9.117 -0.608) 9.919 3.232 ( -0.086 -1.500 5.476) 5.678 3.390 ( 6.487 -10.185 -0.652) 12.093 3.484 ( -0.646 -7.941 2.081) 8.235 3.506 ( -1.121 -6.118 0.819) 6.274 4.007 ( 7.683 -8.005 2.328) 11.337 4.203 ( -0.953 2.776 -1.093) 3.132 4.227 ( 4.400 -4.210 -2.074) 6.433 4.390 ( -9.142 2.803 -1.579) 9.691 4.504 ( 0.138 -1.278 -1.850) 2.253 4.903 ( -2.604 -1.929 -4.432) 5.490 5.152 ( -7.059 -7.130 -2.611) 10.368 5.444 ( -2.017 -6.760 0.905) 7.112 5.874 ( -12.877 12.023 1.029) 17.647 6.283 ( 0.166 -6.968 0.211) 6.973 6.709 ( -1.993 -7.275 -0.145) 7.545 6.957 ( -6.739 -27.515 -0.130) 28.329 7.360 ( 13.416 3.958 3.252) 14.360 8.004 ( -5.134 10.875 -4.586) 12.871 8.251 ( 5.552 -5.666 0.281) 7.937 9.201 ( 1.808 9.139 4.740) 10.453 9.354 ( -1.442 9.062 3.266) 9.740 9.512 ( 0.168 6.428 -1.814) 6.681 10.008 ( 1.722 9.888 -1.435) 10.138 10.458 ( -0.692 1.991 -0.039) 2.108 11.617 ( -0.217 -16.609 -1.179) 16.652 11.866 ( -5.681 -18.779 0.602) 19.629 14.744 ( 8.590 -0.043 3.633) 9.326 15.062 ( 5.637 2.867 -3.070) 7.031 16.067 ( 4.400 -0.591 0.110) 4.441 16.321 ( 1.814 3.009 -1.581) 3.853 20.899 ( -0.577 -13.264 1.181) 13.329 21.200 ( -0.299 -5.183 -1.684) 5.458======================= Grid point 546 (262/322) =======================q-point: ( 0.54 0.15 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.690 ( 6.712 16.868 5.077) 18.851 2.656 ( 1.724 0.107 2.651) 3.164 2.770 ( 1.803 1.481 1.363) 2.702 3.239 ( 4.872 -0.905 0.052) 4.956 3.325 ( -6.554 -7.214 2.956) 10.185 3.595 ( -4.210 -4.516 -0.405) 6.187 3.620 ( 7.442 -7.698 0.345) 10.713 3.649 ( 2.743 -7.132 2.210) 7.954 4.086 ( -0.335 2.642 0.528) 2.715 4.198 ( 0.677 -3.607 1.437) 3.942 4.256 ( -9.170 2.549 -4.407) 10.488 4.340 ( 5.042 -2.847 0.942) 5.867 4.483 ( -0.434 2.669 -1.215) 2.964 4.952 ( -3.650 -4.400 -4.572) 7.320 5.251 ( -0.598 -5.462 -1.996) 5.846 5.562 ( -2.627 -5.945 0.458) 6.516 5.679 ( -8.580 1.200 -0.143) 8.665 6.250 ( -0.331 4.277 -0.574) 4.328 6.892 ( -0.754 -7.184 -0.017) 7.224 7.165 ( 7.887 1.944 1.035) 8.189 7.575 ( 3.533 -14.254 1.115) 14.728 7.778 ( -6.829 6.834 -1.705) 9.811 8.469 ( 6.254 -12.465 1.240) 14.001 9.011 ( -2.142 10.838 3.625) 11.627 9.187 ( -2.395 7.232 2.371) 7.979 9.370 ( 0.339 8.121 -2.512) 8.508 9.875 ( 1.225 4.119 -1.139) 4.445 10.447 ( -1.637 -2.105 0.443) 2.704 11.915 ( 2.670 -11.480 -0.866) 11.818 12.168 ( -4.616 -15.254 -0.692) 15.953 14.793 ( 6.074 0.338 3.403) 6.970 15.024 ( 2.685 2.974 -2.849) 4.917 16.119 ( 3.580 -1.683 -0.265) 3.965 16.268 ( -0.408 2.634 -1.464) 3.041 21.099 ( 0.155 -7.319 0.212) 7.323 21.243 ( 0.048 -0.067 -0.587) 0.593======================= Grid point 547 (263/322) =======================q-point: ( 0.62 0.15 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.400 ( 1.021 13.369 3.332) 13.815 2.649 ( -0.260 0.688 2.847) 2.940 2.710 ( -0.972 4.442 0.775) 4.613 3.290 ( 4.486 -0.551 2.364) 5.101 3.409 ( -2.522 -3.448 0.417) 4.292 3.616 ( -4.618 -0.254 -0.937) 4.719 3.757 ( 5.883 -2.767 -2.260) 6.883 3.795 ( 3.490 -4.631 2.988) 6.523 4.029 ( -4.891 1.206 0.614) 5.074 4.137 ( -6.114 3.929 -4.005) 8.298 4.257 ( 1.472 -1.289 1.389) 2.400 4.422 ( 3.931 -0.400 1.178) 4.123 4.441 ( -0.605 -1.331 0.644) 1.598 4.983 ( -4.958 -1.757 -3.375) 6.250 5.345 ( 4.902 -2.987 -1.416) 5.912 5.632 ( -3.766 -2.827 0.364) 4.723 5.710 ( -2.467 -6.901 0.098) 7.330 6.188 ( -0.194 1.254 -0.884) 1.546 6.969 ( 0.332 -2.016 -0.115) 2.046 7.146 ( 9.024 4.947 1.342) 10.378 7.601 ( -5.062 3.411 -1.226) 6.226 7.843 ( 1.480 -7.027 1.624) 7.362 8.752 ( -6.139 11.553 1.447) 13.163 8.787 ( 6.050 -13.274 1.661) 14.682 9.057 ( -3.426 4.338 1.465) 5.719 9.230 ( 0.937 5.040 -1.472) 5.334 9.845 ( 0.814 0.234 -1.145) 1.424 10.495 ( -1.179 -2.292 0.261) 2.590 12.059 ( 1.140 -2.208 -0.072) 2.486 12.396 ( -0.669 -9.213 -2.497) 9.568 14.796 ( 2.442 2.618 1.686) 3.957 14.976 ( 1.159 2.563 -1.361) 3.125 16.136 ( 1.405 2.465 -0.318) 2.854 16.225 ( -1.126 0.203 -1.005) 1.523 21.192 ( 0.131 -2.074 -0.247) 2.092 21.228 ( 0.019 0.882 0.132) 0.892======================= Grid point 548 (264/322) =======================q-point: (-0.31 0.15 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.272 ( -3.361 -1.507 1.509) 3.981 2.597 ( -1.989 5.082 0.072) 5.457 2.671 ( -0.774 -1.926 2.962) 3.617 3.304 ( 1.427 1.496 3.823) 4.347 3.416 ( -0.195 2.138 -1.914) 2.876 3.544 ( -5.684 4.175 -1.226) 7.159 3.780 ( 5.160 3.560 -1.922) 6.557 3.875 ( 4.872 -0.684 -0.324) 4.931 3.968 ( -7.119 2.128 0.229) 7.434 4.033 ( -2.947 3.039 -1.418) 4.464 4.280 ( 1.581 -0.246 2.171) 2.697 4.419 ( -1.764 -0.615 -3.306) 3.798 4.527 ( 4.403 -3.931 5.529) 8.087 4.957 ( -4.092 1.056 -2.134) 4.734 5.419 ( 8.308 -0.885 -0.658) 8.381 5.619 ( -5.187 1.189 0.909) 5.399 5.903 ( 1.960 -12.355 0.233) 12.512 6.200 ( -0.252 -2.518 -0.921) 2.693 6.996 ( 1.650 0.184 -0.091) 1.662 7.072 ( 5.709 7.275 1.230) 9.329 7.551 ( -5.962 -1.749 0.031) 6.213 7.907 ( 2.538 2.193 0.616) 3.410 8.463 ( -3.567 12.142 -0.158) 12.656 8.987 ( -1.880 0.077 -1.357) 2.320 9.098 ( 0.078 -12.152 5.709) 13.427 9.207 ( 1.435 -3.107 -2.242) 4.092 9.843 ( 0.610 0.298 -1.394) 1.551 10.492 ( -0.958 2.036 0.100) 2.252 12.029 ( 0.705 5.439 0.344) 5.495 12.484 ( 1.171 0.490 -3.410) 3.639 14.727 ( -0.539 4.578 -0.454) 4.632 14.933 ( 0.399 2.364 0.547) 2.459 16.055 ( -1.173 4.768 -0.109) 4.911 16.227 ( -0.281 -0.220 -0.496) 0.611 21.185 ( 0.092 2.113 0.191) 2.124 21.224 ( -0.182 -0.066 -0.122) 0.229======================= Grid point 549 (265/322) =======================q-point: (-0.23 0.15 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.396 ( -3.646 -11.163 1.248) 11.809 2.467 ( -1.435 7.689 0.746) 7.858 2.726 ( -0.862 -2.843 2.095) 3.634 3.252 ( -3.741 4.991 5.086) 8.048 3.321 ( 3.398 6.352 -3.169) 7.870 3.410 ( -4.636 5.513 -2.806) 7.730 3.692 ( 4.957 7.499 -0.817) 9.027 3.794 ( -5.813 7.119 -3.113) 9.704 3.879 ( 1.480 7.151 -0.010) 7.302 4.021 ( -0.131 -2.917 0.491) 2.961 4.290 ( 2.081 1.071 2.935) 3.754 4.407 ( -2.673 0.240 -2.666) 3.783 4.660 ( 4.926 -5.953 4.442) 8.913 4.898 ( -2.684 2.370 -0.804) 3.669 5.465 ( 8.222 1.458 -0.317) 8.356 5.546 ( -5.441 3.020 0.513) 6.244 6.198 ( 3.800 -15.520 0.417) 15.984 6.271 ( -0.194 -4.445 -0.400) 4.467 6.928 ( 1.925 8.087 1.779) 8.501 6.960 ( -1.032 5.156 -0.800) 5.319 7.590 ( -2.200 -4.040 -0.242) 4.607 7.761 ( 0.233 14.302 -0.241) 14.306 8.294 ( 0.849 3.341 -0.070) 3.448 9.011 ( -3.247 -4.092 -0.989) 5.316 9.250 ( -1.324 -6.138 4.319) 7.621 9.367 ( 1.737 -8.500 -1.581) 8.819 9.859 ( 0.505 -2.848 -1.529) 3.272 10.428 ( -0.816 3.145 0.098) 3.250 11.878 ( 1.141 9.894 0.843) 9.996 12.370 ( 0.769 11.138 -3.354) 11.657 14.629 ( -1.176 4.445 -0.971) 4.699 14.882 ( -0.251 3.081 1.083) 3.276 15.960 ( -1.205 3.822 0.057) 4.008 16.225 ( -0.146 0.145 -0.204) 0.289 21.102 ( -0.029 6.738 -0.064) 6.738 21.232 ( 0.097 -0.611 -0.082) 0.625======================= Grid point 550 (266/322) =======================q-point: (-0.15 0.15 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.595 ( -1.289 -8.918 2.513) 9.354 2.266 ( 0.302 12.942 1.636) 13.048 2.728 ( -0.946 4.055 0.825) 4.245 3.073 ( -1.527 9.459 1.195) 9.655 3.250 ( 0.763 5.097 -0.683) 5.199 3.264 ( -1.125 5.994 -2.290) 6.514 3.560 ( -2.408 7.777 0.521) 8.158 3.589 ( 1.237 10.423 -1.856) 10.659 3.714 ( 0.064 8.603 -0.923) 8.653 4.080 ( 1.104 -1.200 -0.218) 1.645 4.257 ( 1.190 3.439 2.618) 4.483 4.370 ( -1.587 1.794 -1.052) 2.616 4.810 ( 6.025 -2.966 3.508) 7.577 4.846 ( -3.966 -1.208 -0.504) 4.176 5.433 ( -0.024 4.957 -0.230) 4.962 5.455 ( 0.868 3.955 -0.563) 4.089 6.264 ( -0.340 10.709 -0.164) 10.716 6.505 ( -0.014 -10.986 0.282) 10.989 6.839 ( 1.573 -2.264 2.227) 3.544 6.869 ( -3.042 -1.462 -0.901) 3.493 7.342 ( 0.288 25.976 -0.712) 25.987 7.683 ( 0.581 -5.053 -0.316) 5.096 8.336 ( 2.110 -5.643 -0.632) 6.058 9.085 ( -2.458 -4.596 -0.446) 5.231 9.384 ( -1.656 -7.744 4.489) 9.103 9.516 ( 0.644 -7.450 -2.452) 7.869 9.976 ( 0.599 -8.761 -1.511) 8.910 10.372 ( 0.090 2.917 -0.235) 2.928 11.693 ( 0.900 8.829 1.829) 9.061 12.058 ( -0.678 19.688 -2.480) 19.855 14.550 ( -0.318 2.880 -0.509) 2.942 14.816 ( 0.408 3.656 0.748) 3.754 15.906 ( -0.161 1.075 0.177) 1.101 16.228 ( 0.395 -0.696 -0.153) 0.815 20.916 ( -0.468 12.316 1.062) 12.371 21.223 ( 0.645 2.547 -2.073) 3.346======================= Grid point 551 (267/322) =======================q-point: (-0.08 0.15 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.714 ( 0.698 -2.890 4.279) 5.210 1.979 ( 4.364 17.432 1.908) 18.071 2.511 ( 1.341 17.717 -1.526) 17.833 2.919 ( -0.288 7.118 -0.417) 7.136 3.078 ( -2.272 8.949 -1.027) 9.290 3.142 ( 3.244 10.248 0.031) 10.750 3.345 ( -1.561 10.017 1.386) 10.232 3.425 ( 2.727 9.464 0.495) 9.861 3.625 ( -1.907 -1.003 -0.898) 2.334 3.983 ( 0.306 11.368 0.191) 11.374 4.251 ( -0.060 -1.698 1.285) 2.130 4.316 ( -0.133 3.022 0.174) 3.030 4.763 ( -0.195 5.465 1.361) 5.635 4.953 ( 0.158 -4.762 0.202) 4.769 5.328 ( -2.710 3.277 -1.362) 4.466 5.381 ( 2.234 4.483 -0.730) 5.062 5.788 ( -0.412 33.843 -0.322) 33.847 6.428 ( -3.151 19.423 0.617) 19.687 6.919 ( -7.829 7.728 2.226) 11.223 7.040 ( -4.860 -16.129 -0.215) 16.847 7.122 ( 4.952 -19.216 0.240) 19.846 7.814 ( 5.230 -7.022 0.290) 8.761 8.489 ( 1.543 -8.173 -2.844) 8.790 9.136 ( -0.046 -0.763 0.009) 0.765 9.538 ( -2.764 -8.024 4.672) 9.687 9.694 ( 0.589 -10.984 -2.410) 11.260 10.174 ( 0.876 -10.088 -1.205) 10.197 10.289 ( 2.136 5.960 -1.030) 6.415 11.575 ( -0.185 4.668 3.497) 5.836 11.628 ( -2.734 20.477 -2.056) 20.761 14.517 ( 0.463 0.477 -0.309) 0.734 14.762 ( 4.197 2.668 0.543) 5.003 15.920 ( 1.226 -2.032 0.253) 2.386 16.262 ( 1.358 -2.266 -0.188) 2.649 20.614 ( -1.054 18.553 2.789) 18.791 21.090 ( 0.385 11.911 -5.437) 13.099======================= Grid point 555 (268/322) =======================q-point: ( 0.23 0.23 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.452 ( 20.010 -0.000 -0.933) 20.031 1.686 ( 0.291 -0.000 -1.830) 1.853 2.025 ( 34.952 -0.000 1.862) 35.002 2.279 ( 5.428 -0.000 -1.039) 5.527 2.759 ( -7.864 0.000 -1.695) 8.045 2.840 ( -8.072 0.000 -0.996) 8.133 2.910 ( -5.086 0.000 2.363) 5.608 3.273 ( 12.173 -0.000 -1.934) 12.326 3.523 ( -1.302 0.000 2.890) 3.169 3.671 ( 15.045 -0.000 10.706) 18.465 3.783 ( 1.475 -0.000 -2.696) 3.073 4.033 ( -1.215 0.000 4.652) 4.808 4.136 ( 0.982 -0.000 0.797) 1.265 4.348 ( -5.992 0.000 -4.957) 7.777 4.834 ( -12.654 0.000 0.457) 12.662 5.204 ( -10.064 0.000 -5.565) 11.500 5.382 ( -5.162 0.000 -2.587) 5.774 5.568 ( -7.340 0.000 1.841) 7.568 7.083 ( 0.062 -0.000 14.745) 14.745 7.531 ( -8.554 0.000 0.928) 8.604 8.127 ( -1.773 0.000 7.299) 7.512 8.387 ( -1.824 0.000 1.510) 2.368 8.777 ( 1.846 -0.000 -10.997) 11.151 8.801 ( 6.271 -0.000 -0.181) 6.274 9.758 ( 0.141 -0.000 -0.671) 0.685 9.966 ( 7.031 -0.000 6.365) 9.484 10.435 ( 6.569 -0.000 1.099) 6.660 10.653 ( -0.411 0.000 0.197) 0.456 10.688 ( -15.254 0.000 3.248) 15.596 11.476 ( -13.764 0.000 -5.162) 14.700 14.722 ( 20.399 -0.000 5.999) 21.263 15.416 ( 8.385 -0.000 -8.098) 11.657 16.551 ( 10.199 -0.000 -5.031) 11.372 16.567 ( 18.304 -0.000 -5.084) 18.997 19.464 ( -0.072 0.000 0.067) 0.098 19.680 ( -0.060 0.000 -0.037) 0.070======================= Grid point 556 (269/322) =======================q-point: ( 0.31 0.23 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.732 ( 5.252 -4.230 -0.740) 6.784 1.766 ( 17.025 -16.259 -2.327) 23.656 2.306 ( 27.489 -8.124 3.866) 28.924 2.448 ( 3.728 -11.861 -0.493) 12.443 2.712 ( -5.870 -1.906 -0.067) 6.172 2.886 ( -8.270 -8.846 0.533) 12.121 2.974 ( -4.376 -7.952 1.547) 9.208 3.355 ( 9.849 -3.293 -2.261) 10.628 3.595 ( -2.660 -4.168 2.171) 5.400 3.781 ( 14.427 -4.439 2.942) 15.379 4.076 ( 4.920 -16.382 2.163) 17.242 4.095 ( 0.566 -6.420 4.018) 7.595 4.276 ( -0.853 -15.329 -0.270) 15.356 4.386 ( -3.372 -12.450 -4.162) 13.553 4.754 ( -12.524 0.577 1.105) 12.586 5.104 ( -12.471 2.131 -3.822) 13.216 5.332 ( -5.916 0.895 -3.486) 6.925 5.540 ( -8.876 -2.636 1.174) 9.333 7.009 ( -0.574 10.818 15.310) 18.755 7.373 ( -8.744 10.962 1.591) 14.112 7.969 ( 3.326 14.336 2.079) 14.863 8.290 ( -1.648 6.125 2.407) 6.785 8.670 ( -1.305 6.116 -10.750) 12.437 9.017 ( 5.203 -11.819 -0.175) 12.915 9.777 ( 1.492 0.650 1.954) 2.543 10.050 ( 5.776 -3.734 4.010) 7.962 10.364 ( -5.142 13.236 1.441) 14.273 10.483 ( 5.821 0.029 1.403) 5.988 10.857 ( -5.965 -11.480 1.555) 13.030 11.336 ( -14.398 3.744 -6.907) 16.403 14.809 ( 19.130 4.095 6.808) 20.714 15.367 ( 7.663 7.352 -6.095) 12.245 16.466 ( 14.949 15.144 -5.041) 21.869 16.557 ( 7.451 4.504 -0.808) 8.744 19.688 ( -1.363 -20.475 0.976) 20.543 20.028 ( -1.054 -29.756 -1.697) 29.823======================= Grid point 557 (270/322) =======================q-point: ( 0.38 0.23 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.873 ( 8.600 -5.832 0.542) 10.405 2.177 ( 15.450 -14.675 -2.027) 21.405 2.563 ( 2.941 -6.538 4.517) 8.473 2.694 ( -2.986 -12.584 0.566) 12.945 2.859 ( 12.491 -11.350 2.363) 17.043 3.052 ( -5.040 -10.774 1.439) 11.981 3.145 ( -2.073 -10.711 1.365) 10.995 3.485 ( 1.071 -1.398 2.170) 2.795 3.628 ( 4.190 -4.702 -1.698) 6.523 3.974 ( 8.700 -6.848 -1.668) 11.196 4.231 ( 5.604 -6.454 5.312) 10.064 4.256 ( 3.869 -2.221 -4.040) 6.019 4.566 ( -14.708 -3.560 -3.262) 15.480 4.732 ( 1.753 -13.921 3.675) 14.504 4.886 ( -4.251 -15.631 -6.232) 17.357 5.071 ( -10.518 -18.808 3.504) 21.832 5.309 ( -2.296 -4.700 -3.140) 6.102 5.660 ( -12.839 -19.842 0.183) 23.634 6.673 ( -6.693 22.937 11.193) 26.385 7.061 ( -6.028 14.698 0.743) 15.903 7.737 ( 9.221 12.170 -0.060) 15.269 8.191 ( 0.083 3.342 2.578) 4.222 8.477 ( -4.129 10.081 -9.916) 14.732 9.257 ( 5.290 -8.420 1.285) 10.027 9.711 ( 1.982 7.259 4.318) 8.676 9.951 ( -1.664 15.101 1.563) 15.273 10.320 ( 3.035 -5.202 -1.372) 6.177 10.466 ( 4.684 3.793 2.901) 6.689 11.108 ( -2.940 -16.366 0.355) 16.632 11.200 ( -13.431 -1.312 -4.688) 14.287 14.824 ( 14.675 4.659 5.348) 16.299 15.250 ( 7.719 7.431 -4.019) 11.444 16.250 ( 8.610 11.753 -1.031) 14.606 16.490 ( 4.800 5.487 -1.384) 7.420 20.138 ( -2.169 -24.294 1.989) 24.471 20.600 ( -1.775 -26.803 -2.422) 26.971======================= Grid point 558 (271/322) =======================q-point: ( 0.46 0.23 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.022 ( 11.098 -1.912 3.023) 11.660 2.492 ( 11.200 -9.435 -0.442) 14.651 2.676 ( -2.179 -5.507 3.223) 6.742 2.918 ( -5.187 -12.448 1.659) 13.587 3.180 ( 12.843 -11.017 4.419) 17.488 3.226 ( -2.933 -8.860 -0.220) 9.336 3.341 ( -0.553 -7.962 1.110) 8.058 3.417 ( -2.711 1.515 1.966) 3.676 3.864 ( 8.778 -11.290 0.567) 14.312 4.125 ( 2.790 -5.617 -2.854) 6.891 4.277 ( 2.569 1.549 -0.882) 3.127 4.373 ( -5.034 -0.850 0.899) 5.184 4.459 ( -1.950 -0.634 -3.325) 3.906 4.873 ( -10.966 -0.483 -6.731) 12.876 4.945 ( -1.181 -7.202 1.606) 7.473 5.306 ( -3.756 -6.312 0.204) 7.348 5.821 ( 1.450 -34.187 0.209) 34.219 6.164 ( -11.921 17.893 4.081) 21.885 6.213 ( -6.579 -34.183 1.264) 34.834 6.774 ( -3.475 10.930 -0.154) 11.470 7.591 ( 11.212 9.341 2.254) 14.767 8.169 ( 0.008 3.676 0.207) 3.682 8.230 ( -2.757 6.680 -5.970) 9.374 9.363 ( 4.860 2.388 3.209) 6.295 9.551 ( 0.717 10.267 3.923) 11.014 9.660 ( -2.120 11.222 -0.604) 11.436 10.233 ( 1.961 10.934 -1.437) 11.201 10.497 ( 1.628 0.716 0.132) 1.783 11.271 ( -6.652 -14.969 -1.663) 16.465 11.464 ( -2.969 -19.295 0.782) 19.538 14.832 ( 10.980 2.771 4.753) 12.281 15.165 ( 5.806 4.890 -3.555) 8.382 16.126 ( 4.688 4.746 -0.153) 6.673 16.407 ( 2.602 4.748 -1.505) 5.620 20.570 ( -1.402 -20.026 1.823) 20.158 21.000 ( -0.953 -15.245 -2.227) 15.436======================= Grid point 559 (272/322) =======================q-point: ( 0.54 0.23 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.023 ( 9.100 9.757 4.857) 14.199 2.655 ( 3.538 -2.836 2.648) 5.251 2.768 ( 1.142 -3.146 1.289) 3.586 3.120 ( -4.631 -10.600 1.919) 11.725 3.264 ( 3.885 0.850 -0.245) 3.985 3.427 ( -5.717 -8.259 1.519) 10.158 3.481 ( 7.280 -10.280 2.007) 12.756 3.542 ( 3.210 -7.315 0.825) 8.031 4.099 ( 5.582 -7.435 1.601) 9.434 4.169 ( -3.751 5.327 0.585) 6.541 4.224 ( -4.588 -0.984 -1.741) 5.005 4.307 ( -0.645 -1.330 -2.385) 2.806 4.520 ( 1.565 -0.029 -1.197) 1.971 4.827 ( -8.294 -3.354 -6.826) 11.253 5.103 ( 1.213 -8.569 -0.077) 8.655 5.416 ( -3.451 -6.958 0.266) 7.771 5.757 ( -7.724 12.461 1.188) 14.709 6.285 ( 0.178 -6.019 -0.347) 6.031 6.689 ( -1.413 -8.479 -0.200) 8.598 6.894 ( -3.922 -30.711 0.060) 30.960 7.517 ( 11.100 4.285 3.412) 12.377 7.925 ( -5.195 11.496 -3.968) 13.225 8.307 ( 3.262 -7.307 0.613) 8.025 9.226 ( 0.226 11.294 3.849) 11.934 9.351 ( -0.458 9.965 2.346) 10.248 9.509 ( 0.160 6.055 -1.733) 6.300 10.024 ( 1.634 10.105 -1.136) 10.299 10.440 ( -2.092 2.577 -0.002) 3.319 11.622 ( 1.432 -19.710 -0.655) 19.773 11.806 ( -4.638 -17.591 0.161) 18.193 14.856 ( 8.112 1.393 4.523) 9.392 15.101 ( 2.794 3.862 -3.590) 5.967 16.110 ( 3.001 -0.418 -0.311) 3.046 16.331 ( 0.729 3.900 -1.451) 4.225 20.897 ( -0.360 -13.625 1.045) 13.669 21.192 ( -0.184 -5.654 -1.518) 5.857======================= Grid point 560 (273/322) =======================q-point: ( 0.62 0.23 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.766 ( 3.540 19.339 4.289) 20.123 2.685 ( 1.761 1.226 3.666) 4.248 2.780 ( -0.764 2.357 0.585) 2.546 3.262 ( -3.901 -5.409 4.794) 8.213 3.326 ( 7.637 -3.761 -2.823) 8.969 3.530 ( -6.069 -5.217 -0.343) 8.010 3.687 ( 1.967 -6.331 2.065) 6.944 3.706 ( 6.675 -7.340 0.154) 9.923 4.044 ( -5.767 3.279 1.814) 6.877 4.158 ( -4.962 1.795 -5.704) 7.771 4.237 ( 4.189 -2.344 1.852) 5.145 4.388 ( 2.282 -4.103 2.662) 5.397 4.470 ( -0.933 3.498 -1.736) 4.015 4.873 ( -6.398 -5.285 -5.437) 9.921 5.274 ( 4.920 -6.760 -0.813) 8.400 5.520 ( -3.904 -5.564 -0.344) 6.806 5.611 ( -3.978 -0.565 0.571) 4.058 6.242 ( -0.527 4.241 -0.789) 4.346 6.884 ( -0.504 -7.336 -0.041) 7.353 7.238 ( 3.869 -3.827 0.441) 5.460 7.643 ( 6.661 -10.370 1.241) 12.387 7.696 ( -5.942 7.193 -0.766) 9.361 8.523 ( 2.185 -12.744 1.382) 13.003 8.992 ( -2.361 12.474 2.143) 12.875 9.173 ( -0.828 8.097 1.515) 8.279 9.366 ( -0.025 7.960 -1.380) 8.079 9.885 ( 1.094 4.401 -1.003) 4.644 10.429 ( -1.449 -2.527 0.377) 2.937 11.950 ( 3.437 -10.494 -0.060) 11.043 12.115 ( -3.821 -17.063 -1.538) 17.553 14.870 ( 4.934 2.256 3.771) 6.608 15.034 ( 0.502 3.266 -3.104) 4.533 16.153 ( 2.407 -1.785 -0.599) 3.056 16.254 ( -1.022 3.688 -1.139) 3.993 21.102 ( 0.189 -7.364 0.165) 7.368 21.241 ( -0.082 -0.241 -0.497) 0.558======================= Grid point 561 (274/322) =======================q-point: (-0.31 -0.77 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.412 ( -0.595 15.723 3.019) 16.022 2.661 ( 0.572 1.935 3.167) 3.755 2.696 ( -1.653 4.523 0.619) 4.855 3.322 ( -0.610 -1.297 5.532) 5.715 3.420 ( 3.809 -1.845 -3.594) 5.552 3.553 ( -4.490 -0.489 -0.629) 4.561 3.797 ( 1.237 -3.585 0.762) 3.868 3.853 ( 4.439 -4.083 -0.522) 6.053 3.972 ( -3.744 2.215 1.769) 4.696 4.077 ( -2.892 2.850 -3.613) 5.436 4.288 ( 2.750 -0.531 2.244) 3.588 4.399 ( -2.648 0.832 -3.143) 4.193 4.488 ( 3.154 -3.241 3.551) 5.751 4.915 ( -3.598 -2.547 -3.811) 5.828 5.416 ( 6.256 -4.426 -0.486) 7.679 5.579 ( -4.705 -2.140 0.071) 5.169 5.692 ( -0.679 -8.698 0.085) 8.725 6.182 ( -0.430 1.166 -0.779) 1.466 6.967 ( -0.234 -2.604 -0.043) 2.615 7.237 ( 3.888 4.649 1.754) 6.309 7.548 ( -1.888 4.056 -1.682) 4.780 7.872 ( 2.262 -7.038 1.294) 7.505 8.694 ( -3.786 11.243 0.852) 11.894 8.834 ( 0.316 -12.375 3.083) 12.757 9.036 ( 0.126 5.290 -0.284) 5.299 9.232 ( -0.089 4.646 -0.495) 4.673 9.850 ( 0.665 0.405 -1.175) 1.409 10.485 ( -0.566 -2.395 0.204) 2.470 12.075 ( 1.493 -1.506 -0.090) 2.123 12.381 ( -0.536 -10.440 -2.576) 10.766 14.822 ( 1.076 4.750 1.441) 5.079 14.980 ( 0.280 2.145 -1.078) 2.417 16.149 ( 0.924 4.655 -0.564) 4.779 16.210 ( -0.792 -1.224 -0.717) 1.625 21.192 ( 0.003 -1.869 -0.144) 1.875 21.228 ( 0.029 0.739 0.064) 0.742======================= Grid point 562 (275/322) =======================q-point: (-0.23 0.23 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.246 ( -1.876 -0.303 2.418) 3.076 2.584 ( -0.416 5.325 0.433) 5.358 2.671 ( -0.743 -1.753 2.936) 3.499 3.316 ( -1.433 2.333 5.804) 6.417 3.421 ( 0.855 2.114 -4.430) 4.983 3.496 ( -0.326 4.736 -0.252) 4.754 3.826 ( 2.814 2.758 0.822) 4.025 3.854 ( -6.497 3.129 -2.149) 7.524 3.964 ( 3.829 -1.834 0.582) 4.285 4.002 ( -0.773 3.749 -1.601) 4.150 4.310 ( 2.111 -0.209 2.745) 3.469 4.383 ( -2.417 -0.638 -3.091) 3.975 4.584 ( 2.894 -4.518 2.846) 6.073 4.918 ( -0.344 0.507 -2.392) 2.469 5.501 ( -0.651 -1.503 0.192) 1.649 5.562 ( 1.052 1.303 -0.038) 1.675 5.917 ( 0.315 -13.686 0.016) 13.690 6.192 ( -0.489 -2.536 -0.498) 2.631 6.999 ( -0.196 -0.384 -0.159) 0.460 7.116 ( -1.635 8.571 2.306) 9.025 7.519 ( 2.382 -1.294 -1.567) 3.131 7.931 ( 1.081 2.447 0.122) 2.678 8.434 ( -1.308 10.929 0.334) 11.012 8.954 ( -3.514 -0.095 2.033) 4.061 9.120 ( 0.785 -9.894 3.631) 10.569 9.214 ( 0.967 -4.254 -2.682) 5.121 9.845 ( 0.433 0.380 -1.429) 1.541 10.486 ( -0.089 2.121 0.135) 2.127 12.041 ( 1.270 5.471 -0.384) 5.630 12.478 ( -0.329 0.188 -2.709) 2.735 14.720 ( -0.576 5.404 0.068) 5.435 14.939 ( 0.382 2.377 0.129) 2.410 16.049 ( 0.171 5.240 -0.233) 5.248 16.225 ( 0.239 -0.327 -0.543) 0.677 21.187 ( 0.136 2.076 0.065) 2.081 21.222 ( -0.100 -0.022 -0.038) 0.109======================= Grid point 563 (276/322) =======================q-point: (-0.15 0.23 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.381 ( -0.062 -11.342 2.719) 11.663 2.466 ( 0.953 7.381 0.815) 7.487 2.723 ( -0.788 -2.636 2.361) 3.626 3.232 ( -2.445 5.967 5.230) 8.303 3.348 ( 1.910 4.986 -4.315) 6.865 3.385 ( 2.646 6.475 -0.038) 6.995 3.688 ( -6.560 7.811 -0.242) 10.203 3.763 ( 2.392 6.227 -0.440) 6.685 3.893 ( 1.376 7.707 -1.241) 7.927 4.031 ( 1.714 -3.086 -0.570) 3.576 4.321 ( 1.387 1.210 1.984) 2.706 4.374 ( -1.376 -0.062 -1.443) 1.995 4.706 ( 0.782 -6.173 0.401) 6.235 4.889 ( 2.370 2.521 -0.213) 3.467 5.458 ( -8.530 1.408 0.322) 8.652 5.558 ( 6.493 3.098 -0.644) 7.223 6.205 ( -2.649 -15.571 -0.267) 15.796 6.267 ( -0.339 -4.750 0.000) 4.762 6.923 ( -3.926 8.147 2.448) 9.369 6.953 ( 0.083 5.415 -0.324) 5.426 7.600 ( 3.872 -3.236 -1.190) 5.185 7.769 ( 1.704 14.297 -0.820) 14.421 8.295 ( -0.656 2.271 -0.306) 2.384 8.983 ( -1.616 -3.985 1.671) 4.614 9.246 ( -1.761 -6.078 4.257) 7.626 9.379 ( 1.393 -8.030 -2.195) 8.441 9.860 ( 0.484 -2.923 -1.646) 3.389 10.427 ( 0.596 3.112 0.184) 3.174 11.891 ( 0.792 9.866 -0.297) 9.903 12.356 ( -1.547 11.212 -2.120) 11.515 14.620 ( -0.162 4.433 -0.048) 4.436 14.891 ( 1.471 2.994 0.187) 3.341 15.960 ( 1.136 3.908 0.071) 4.070 16.228 ( 0.945 0.063 -0.535) 1.088 21.101 ( -0.151 6.866 0.039) 6.868 21.234 ( 0.316 -0.711 -0.259) 0.820======================= Grid point 564 (277/322) =======================q-point: (-0.08 0.23 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.609 ( 2.183 -9.244 3.225) 10.031 2.296 ( 4.178 11.834 0.798) 12.575 2.725 ( -0.241 3.785 1.690) 4.152 3.079 ( 1.430 9.152 2.527) 9.602 3.258 ( 2.406 6.886 -0.937) 7.354 3.273 ( 1.748 5.423 -0.635) 5.733 3.485 ( -6.485 7.913 0.497) 10.243 3.646 ( 2.507 6.340 -0.028) 6.817 3.712 ( 2.714 11.565 -0.661) 11.898 4.088 ( 0.938 -0.994 -1.453) 1.995 4.270 ( -0.012 3.745 0.420) 3.768 4.364 ( 0.583 1.381 1.083) 1.849 4.790 ( -5.081 -2.108 -2.000) 5.853 4.885 ( 5.345 -1.179 1.549) 5.689 5.372 ( -6.562 2.937 -0.379) 7.200 5.493 ( 2.417 5.667 -1.090) 6.257 6.257 ( -0.922 10.312 0.244) 10.356 6.438 ( -10.924 -9.652 0.404) 14.583 6.802 ( -3.974 0.418 0.409) 4.017 6.921 ( 7.046 -5.590 1.952) 9.204 7.291 ( -7.416 26.227 -0.912) 27.270 7.763 ( 11.634 -3.482 -0.642) 12.160 8.330 ( -2.061 -6.209 -2.881) 7.148 9.077 ( 0.522 -4.936 2.469) 5.543 9.378 ( -1.869 -7.622 4.556) 9.074 9.516 ( 0.599 -6.978 -2.001) 7.284 9.979 ( 0.867 -8.885 -1.730) 9.093 10.388 ( 2.516 2.387 -0.205) 3.474 11.694 ( -1.326 9.223 0.181) 9.320 12.032 ( -2.845 19.690 -0.912) 19.915 14.552 ( 0.978 2.664 0.066) 2.838 14.848 ( 4.635 2.933 -0.002) 5.485 15.920 ( 2.284 1.081 0.312) 2.546 16.242 ( 1.998 -0.844 -0.584) 2.246 20.913 ( -0.693 12.362 1.209) 12.440 21.222 ( 0.304 2.951 -2.088) 3.628======================= Grid point 569 (278/322) =======================q-point: ( 0.31 0.31 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.686 ( 20.845 -0.000 -2.322) 20.973 1.720 ( 6.269 -0.000 -1.059) 6.358 2.342 ( 5.484 -0.000 0.025) 5.484 2.396 ( 20.535 -0.000 4.490) 21.020 2.667 ( -0.624 0.000 -0.167) 0.646 2.727 ( -10.730 0.000 0.151) 10.731 2.857 ( -5.136 0.000 1.152) 5.263 3.394 ( 10.299 -0.000 -3.256) 10.801 3.518 ( -1.295 0.000 3.340) 3.582 3.791 ( 1.274 -0.000 -2.985) 3.245 3.860 ( 9.426 -0.000 3.232) 9.965 4.065 ( 2.292 -0.000 7.165) 7.523 4.154 ( 4.089 -0.000 2.104) 4.598 4.282 ( -1.557 0.000 -5.595) 5.807 4.688 ( -12.734 0.000 1.065) 12.779 5.049 ( -12.826 0.000 -2.490) 13.065 5.275 ( -12.098 0.000 -6.390) 13.682 5.497 ( -5.083 0.000 2.740) 5.774 7.155 ( 3.123 -0.000 17.842) 18.114 7.441 ( -7.194 0.000 0.973) 7.260 8.137 ( -0.743 0.000 6.990) 7.029 8.368 ( -1.756 0.000 0.597) 1.855 8.747 ( -0.700 0.000 -12.189) 12.209 8.867 ( 5.008 -0.000 -0.181) 5.011 9.757 ( 0.127 -0.000 -0.764) 0.774 10.057 ( 5.735 -0.000 4.413) 7.236 10.502 ( 1.202 -0.000 0.393) 1.264 10.551 ( -7.426 0.000 5.097) 9.007 10.649 ( -0.335 0.000 0.261) 0.425 11.281 ( -14.799 0.000 -8.523) 17.078 14.995 ( 20.237 -0.000 11.000) 23.033 15.463 ( 4.083 -0.000 -6.428) 7.615 16.629 ( 6.521 -0.000 -3.300) 7.309 16.771 ( 18.308 -0.000 -6.561) 19.448 19.463 ( -0.069 0.000 0.068) 0.097 19.679 ( -0.054 0.000 -0.035) 0.064======================= Grid point 570 (279/322) =======================q-point: ( 0.38 0.31 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.811 ( 9.293 -4.765 -0.314) 10.448 1.970 ( 18.378 -14.463 -2.583) 23.529 2.468 ( -4.850 -3.638 4.093) 7.315 2.471 ( -1.481 -8.301 0.607) 8.454 2.770 ( 6.485 -7.383 2.625) 10.171 2.810 ( 6.683 -9.591 1.550) 11.792 2.929 ( -3.226 -8.893 0.639) 9.482 3.443 ( 6.464 -2.083 -1.643) 6.987 3.578 ( -0.847 -3.867 2.098) 4.480 3.909 ( 7.770 -4.581 -2.994) 9.504 4.090 ( -0.314 -19.225 -1.645) 19.298 4.179 ( 4.698 -7.084 6.083) 10.452 4.269 ( 1.802 -6.610 -3.473) 7.681 4.360 ( 0.749 -16.327 -0.395) 16.349 4.624 ( -11.114 -1.045 2.633) 11.469 4.959 ( -9.579 1.359 0.565) 9.691 5.193 ( -14.143 -1.275 -6.869) 15.774 5.464 ( -5.119 0.063 1.368) 5.299 7.064 ( 0.865 14.614 17.112) 22.519 7.289 ( -6.236 10.955 1.317) 12.674 8.026 ( 5.356 11.431 1.446) 12.706 8.265 ( -3.719 5.566 2.014) 6.991 8.610 ( -2.727 7.302 -11.204) 13.649 9.073 ( 4.292 -12.181 0.167) 12.916 9.801 ( 1.708 -1.040 1.344) 2.410 10.119 ( 4.344 -2.031 2.895) 5.601 10.307 ( -5.140 10.201 1.127) 11.478 10.551 ( 4.376 0.861 2.845) 5.290 10.809 ( -3.037 -12.053 1.096) 12.478 11.147 ( -13.122 3.248 -8.383) 15.907 15.047 ( 16.325 6.592 9.401) 19.958 15.415 ( 3.965 5.631 -5.156) 8.603 16.588 ( 7.759 9.963 -4.061) 13.265 16.656 ( 10.459 13.047 -2.127) 16.856 19.677 ( -1.060 -19.733 0.810) 19.778 20.014 ( -0.649 -28.686 -1.048) 28.712======================= Grid point 571 (280/322) =======================q-point: ( 0.46 0.31 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.992 ( 11.151 -6.724 1.212) 13.078 2.343 ( 13.389 -12.788 -1.646) 18.588 2.524 ( -8.681 -7.118 3.117) 11.651 2.654 ( -4.534 -11.481 1.993) 12.504 2.986 ( -2.596 -11.937 1.825) 12.352 3.077 ( 14.352 -9.402 3.580) 17.527 3.132 ( 0.388 -11.645 0.576) 11.666 3.474 ( -3.182 2.502 2.403) 4.707 3.705 ( 9.263 -8.982 -0.918) 12.935 4.034 ( 4.152 -5.331 -2.088) 7.072 4.290 ( 4.369 -1.359 -2.000) 4.993 4.317 ( 0.526 -2.900 -1.244) 3.199 4.409 ( -6.577 -6.168 -3.726) 9.756 4.649 ( -13.934 -7.966 0.527) 16.059 4.925 ( 10.539 -14.408 -1.037) 17.881 4.976 ( -8.067 -19.159 5.646) 21.541 5.248 ( -5.633 -17.165 -4.994) 18.743 5.529 ( -9.541 -16.736 0.729) 19.279 6.643 ( -4.341 27.185 10.791) 29.569 7.009 ( -3.190 13.907 0.186) 14.269 7.844 ( 8.554 10.631 0.564) 13.656 8.182 ( -2.828 1.117 2.796) 4.131 8.403 ( -3.195 10.474 -9.142) 14.265 9.317 ( 4.216 -9.060 1.240) 10.069 9.748 ( 2.294 7.515 2.881) 8.369 9.932 ( -2.234 16.126 1.531) 16.352 10.348 ( 2.461 -4.179 -1.691) 5.136 10.523 ( 3.291 2.799 3.594) 5.620 11.028 ( -10.668 -3.147 -5.744) 12.519 11.094 ( -1.955 -16.681 0.982) 16.823 15.000 ( 11.705 6.752 6.605) 15.041 15.304 ( 3.891 6.633 -4.059) 8.695 16.337 ( 6.632 14.103 -1.080) 15.622 16.530 ( 2.826 6.299 -1.889) 7.158 20.122 ( -1.595 -24.332 1.721) 24.445 20.579 ( -0.701 -26.637 -2.035) 26.724======================= Grid point 572 (281/322) =======================q-point: ( 0.54 0.31 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.157 ( 9.536 -1.865 3.294) 10.260 2.580 ( 1.513 -7.163 2.771) 7.827 2.659 ( -0.402 -8.061 0.771) 8.108 2.874 ( -2.573 -12.446 1.384) 12.784 3.191 ( -2.868 -10.315 0.328) 10.711 3.330 ( -0.925 -4.055 -0.341) 4.174 3.338 ( 10.780 -8.336 3.921) 14.180 3.409 ( 0.087 -3.373 1.413) 3.658 3.958 ( 6.455 -9.863 0.965) 11.827 4.160 ( 4.979 -4.835 -0.513) 6.959 4.245 ( -10.799 3.642 -0.331) 11.401 4.300 ( 1.804 2.258 -0.998) 3.058 4.473 ( -0.463 -4.740 -5.499) 7.274 4.691 ( -13.324 -3.637 -4.299) 14.465 4.998 ( 6.684 -3.708 2.841) 8.155 5.258 ( -4.261 -7.117 -1.166) 8.376 5.838 ( 1.527 -34.172 -0.539) 34.210 6.047 ( -8.252 -0.844 2.462) 8.652 6.179 ( -1.761 -15.894 2.753) 16.227 6.741 ( -2.028 10.795 -0.583) 10.999 7.707 ( 6.439 8.290 3.292) 11.001 8.135 ( -2.040 11.559 -4.648) 12.625 8.213 ( -0.435 -2.677 -0.491) 2.756 9.424 ( 3.909 3.176 3.486) 6.126 9.570 ( 0.741 11.853 1.833) 12.017 9.632 ( -2.202 10.210 -0.698) 10.468 10.249 ( 1.354 10.828 -1.190) 10.977 10.503 ( -0.366 3.722 -0.077) 3.741 11.206 ( -3.789 -19.828 -0.906) 20.207 11.442 ( -1.170 -18.240 0.446) 18.283 14.961 ( 8.036 3.937 5.336) 10.419 15.199 ( 1.882 5.312 -3.804) 6.800 16.168 ( 2.576 5.674 -0.377) 6.243 16.424 ( 1.149 5.299 -1.482) 5.621 20.562 ( -0.922 -20.410 1.628) 20.496 20.987 ( -0.056 -15.506 -2.148) 15.654======================= Grid point 573 (282/322) =======================q-point: (-0.38 -0.69 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.115 ( 3.619 11.541 4.329) 12.846 2.692 ( 1.687 -3.004 4.176) 5.414 2.769 ( -1.727 -3.063 0.364) 3.535 3.090 ( -1.376 -9.982 1.712) 10.221 3.319 ( 5.343 -0.941 -1.869) 5.739 3.362 ( -5.133 -8.115 0.922) 9.646 3.556 ( 2.202 -8.390 2.962) 9.166 3.585 ( 4.866 -8.504 -0.760) 9.827 4.080 ( -6.038 2.114 1.967) 6.693 4.125 ( -1.884 -1.200 -2.046) 3.030 4.248 ( 4.149 1.327 -0.703) 4.413 4.317 ( 3.333 -4.969 1.885) 6.273 4.526 ( 0.315 1.468 -1.598) 2.193 4.686 ( -10.419 -7.310 -6.618) 14.345 5.163 ( 6.515 -7.234 0.467) 9.747 5.367 ( -4.133 -7.285 -0.476) 8.389 5.700 ( -2.812 12.332 1.202) 12.706 6.284 ( 0.006 -4.961 -0.550) 4.991 6.677 ( -0.490 -9.309 -0.221) 9.325 6.866 ( -1.050 -32.141 0.029) 32.158 7.615 ( 2.287 3.695 4.892) 6.543 7.879 ( 0.600 11.787 -5.275) 12.927 8.329 ( 0.224 -8.135 0.994) 8.199 9.234 ( -0.532 13.243 3.458) 13.698 9.358 ( 0.913 10.378 0.689) 10.441 9.503 ( -0.571 5.759 -0.989) 5.871 10.037 ( 0.978 10.181 -1.043) 10.281 10.419 ( -1.316 2.524 0.163) 2.851 11.640 ( 1.506 -23.019 -0.469) 23.073 11.765 ( -2.108 -15.295 -0.189) 15.441 14.950 ( 5.198 2.288 4.835) 7.459 15.101 ( -0.959 4.372 -3.873) 5.919 16.131 ( 0.784 -0.362 -0.420) 0.960 16.332 ( 0.244 4.438 -1.201) 4.604 20.897 ( -0.146 -13.862 0.882) 13.891 21.187 ( 0.092 -5.796 -1.383) 5.959======================= Grid point 574 (283/322) =======================q-point: (-0.31 -0.69 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.796 ( -0.540 20.621 3.657) 20.949 2.717 ( 0.989 1.906 4.084) 4.614 2.761 ( -1.903 2.264 0.201) 2.964 3.248 ( -0.484 -6.372 3.438) 7.257 3.384 ( 0.458 -3.106 -2.307) 3.896 3.479 ( 0.585 -4.965 -0.403) 5.016 3.700 ( -1.101 -5.945 2.055) 6.386 3.762 ( 2.649 -7.066 -1.487) 7.692 4.009 ( -0.793 2.171 3.864) 4.503 4.097 ( -2.169 1.924 -4.629) 5.462 4.279 ( 1.465 -2.064 0.549) 2.590 4.422 ( 2.626 -1.115 2.157) 3.576 4.452 ( -1.296 1.440 -1.563) 2.489 4.801 ( -1.967 -7.006 -4.109) 8.357 5.320 ( 1.199 -6.514 -0.984) 6.696 5.486 ( -1.213 -5.727 0.316) 5.863 5.589 ( 0.564 -1.035 0.080) 1.182 6.235 ( -0.331 4.257 -0.476) 4.296 6.881 ( 0.008 -7.268 -0.044) 7.269 7.255 ( -1.277 -6.257 1.107) 6.482 7.630 ( -5.044 -0.350 3.193) 5.980 7.732 ( 7.747 -1.379 -4.362) 8.997 8.533 ( -1.147 -12.579 1.906) 12.775 8.976 ( -1.279 13.262 2.428) 13.543 9.179 ( 1.456 8.511 -0.100) 8.635 9.358 ( -1.118 7.780 -0.142) 7.862 9.892 ( 0.525 4.522 -1.108) 4.685 10.421 ( -0.079 -2.784 0.346) 2.806 11.985 ( 1.726 -8.579 -0.408) 8.760 12.078 ( -0.737 -19.238 -1.561) 19.315 14.923 ( 1.952 4.081 3.631) 5.801 15.015 ( -1.974 2.347 -3.028) 4.310 16.165 ( -0.323 -2.362 -0.466) 2.429 16.245 ( 0.300 4.484 -0.967) 4.597 21.104 ( 0.112 -7.325 0.057) 7.326 21.238 ( -0.115 -0.341 -0.317) 0.480======================= Grid point 575 (284/322) =======================q-point: (-0.23 -0.69 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.409 ( -1.595 16.279 3.321) 16.691 2.673 ( -1.479 1.915 2.763) 3.673 2.684 ( 0.562 4.732 1.036) 4.876 3.330 ( -1.779 -1.331 5.331) 5.776 3.418 ( -0.955 -1.459 -3.979) 4.344 3.550 ( 3.912 -0.500 -0.182) 3.948 3.783 ( -4.758 -3.731 1.558) 6.244 3.865 ( -0.839 -2.086 -1.209) 2.553 3.983 ( 3.659 1.576 1.661) 4.317 4.050 ( 0.244 1.558 -2.179) 2.690 4.323 ( 1.091 -1.389 1.362) 2.230 4.363 ( -0.874 2.131 -2.187) 3.176 4.521 ( 1.133 -3.735 0.816) 3.988 4.898 ( 2.881 -3.067 -2.554) 4.923 5.417 ( -6.480 -4.161 -0.569) 7.722 5.574 ( 4.092 -3.125 0.515) 5.174 5.699 ( 1.956 -8.170 -0.510) 8.417 6.175 ( -0.304 1.233 -0.194) 1.285 6.965 ( -0.157 -2.535 0.169) 2.546 7.221 ( -7.041 4.529 2.926) 8.869 7.565 ( 5.215 3.126 -3.023) 6.790 7.893 ( 0.983 -6.251 -0.695) 6.366 8.681 ( 1.179 11.756 2.012) 11.986 8.813 ( -5.459 -10.935 4.630) 13.070 9.059 ( 3.826 3.999 -1.956) 5.870 9.223 ( -1.346 4.370 0.299) 4.582 9.852 ( 0.299 0.472 -1.327) 1.440 10.485 ( 0.506 -2.360 0.185) 2.420 12.089 ( 0.987 -1.481 -1.309) 2.209 12.371 ( 0.206 -10.350 -1.709) 10.492 14.827 ( -0.892 5.662 1.046) 5.826 14.975 ( -0.793 1.328 -0.618) 1.666 16.150 ( -0.515 4.512 -0.607) 4.582 16.208 ( 0.868 -1.281 -0.574) 1.651 21.191 ( -0.155 -1.789 -0.031) 1.796 21.229 ( 0.063 0.612 0.001) 0.616======================= Grid point 576 (285/322) =======================q-point: (-0.15 0.31 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.247 ( 0.281 -0.728 3.850) 3.928 2.591 ( 1.290 5.107 0.765) 5.322 2.672 ( -0.759 -1.749 2.876) 3.450 3.300 ( -4.451 2.448 4.125) 6.544 3.422 ( 3.241 1.636 -2.585) 4.457 3.532 ( 4.858 4.817 0.331) 6.850 3.761 ( -8.698 2.974 -0.333) 9.199 3.844 ( -0.791 2.026 2.154) 3.061 3.992 ( 3.765 1.482 -1.734) 4.402 4.026 ( 3.340 1.277 -0.882) 3.683 4.337 ( -0.049 0.322 -1.383) 1.421 4.354 ( 0.182 -1.182 1.256) 1.734 4.602 ( -0.445 -4.441 -1.331) 4.658 4.944 ( 5.427 0.534 -1.246) 5.593 5.409 ( -9.581 -0.737 0.265) 9.613 5.635 ( 6.319 0.715 -0.592) 6.387 5.910 ( -1.489 -12.652 -0.378) 12.745 6.187 ( -0.255 -2.586 0.221) 2.608 6.990 ( -2.367 0.224 0.575) 2.446 7.058 ( -6.612 7.047 2.127) 9.894 7.583 ( 7.826 -1.457 -2.829) 8.448 7.930 ( -0.936 2.636 -1.377) 3.118 8.440 ( 1.844 11.660 1.953) 11.965 8.923 ( -3.604 -2.224 4.521) 6.195 9.137 ( 0.344 -6.214 3.040) 6.926 9.213 ( 0.677 -6.094 -3.549) 7.085 9.844 ( 0.192 0.379 -1.496) 1.555 10.491 ( 0.786 2.119 0.217) 2.270 12.052 ( 1.118 5.460 -1.789) 5.853 12.462 ( -1.249 0.739 -1.434) 2.040 14.715 ( -0.479 5.249 0.700) 5.317 14.943 ( 0.329 1.668 -0.347) 1.735 16.058 ( 1.416 4.837 -0.309) 5.049 16.230 ( 0.778 -0.526 -0.697) 1.169 21.189 ( 0.126 2.152 -0.114) 2.159 21.221 ( 0.030 -0.195 0.090) 0.217======================= Grid point 577 (286/322) =======================q-point: (-0.08 0.31 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.412 ( 3.579 -11.825 4.316) 13.087 2.495 ( 3.578 6.588 0.828) 7.542 2.722 ( -0.678 -2.491 2.618) 3.676 3.221 ( -2.255 3.997 4.059) 6.127 3.372 ( 4.943 5.555 -2.807) 7.948 3.441 ( 5.393 7.028 1.384) 8.967 3.600 ( -8.104 7.568 0.048) 11.088 3.765 ( -2.917 5.509 1.513) 6.415 3.934 ( 6.595 7.103 -0.832) 9.728 4.051 ( 2.353 -1.945 -1.557) 3.427 4.318 ( -1.252 1.272 -2.543) 3.107 4.382 ( 1.676 -0.490 2.897) 3.383 4.678 ( -4.243 -4.669 -3.728) 7.328 4.943 ( 5.650 2.343 -0.139) 6.119 5.360 ( -7.745 0.490 0.719) 7.793 5.608 ( 2.338 4.494 -1.305) 5.232 6.135 ( -9.244 -12.491 -0.994) 15.572 6.259 ( -0.978 -4.114 0.426) 4.250 6.887 ( -2.190 4.433 2.422) 5.506 6.957 ( 0.793 4.623 0.567) 4.725 7.622 ( -0.869 7.422 -0.954) 7.533 7.817 ( 7.383 3.816 -2.816) 8.775 8.283 ( -0.855 4.342 0.225) 4.431 8.983 ( -0.053 -4.757 4.206) 6.350 9.237 ( -1.930 -6.086 3.918) 7.491 9.385 ( 0.897 -7.889 -2.596) 8.354 9.860 ( 0.474 -3.137 -1.731) 3.615 10.441 ( 1.384 2.681 0.326) 3.035 11.894 ( 0.294 10.432 -1.657) 10.567 12.324 ( -3.264 11.644 -0.669) 12.112 14.627 ( 1.267 4.030 0.892) 4.317 14.917 ( 2.977 1.729 -0.711) 3.515 15.985 ( 3.026 3.653 0.115) 4.745 16.242 ( 1.709 -0.349 -0.948) 1.985 21.099 ( -0.197 6.990 0.119) 6.994 21.237 ( 0.437 -0.632 -0.413) 0.873======================= Grid point 583 (287/322) =======================q-point: ( 0.38 0.38 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.822 ( 11.282 -0.000 0.081) 11.282 1.914 ( 19.405 -0.000 -3.018) 19.638 2.372 ( -15.387 0.000 3.232) 15.723 2.387 ( 0.230 -0.000 0.990) 1.017 2.613 ( -7.383 0.000 1.069) 7.459 2.798 ( -5.262 0.000 -0.202) 5.266 2.895 ( 26.796 -0.000 4.827) 27.227 3.491 ( 7.196 -0.000 -1.926) 7.449 3.514 ( -1.203 0.000 3.716) 3.906 3.794 ( 0.925 -0.000 -3.048) 3.185 3.912 ( 2.719 -0.000 -2.556) 3.731 4.066 ( -2.169 0.000 1.866) 2.861 4.260 ( 1.855 -0.000 -5.849) 6.136 4.283 ( 7.361 -0.000 4.239) 8.495 4.543 ( -12.651 0.000 2.967) 12.994 4.930 ( -6.857 0.000 2.513) 7.303 5.094 ( -12.586 0.000 -7.300) 14.550 5.453 ( -4.132 0.000 0.591) 4.174 7.257 ( 3.910 -0.000 19.514) 19.902 7.374 ( -4.699 0.000 0.892) 4.783 8.146 ( -1.495 0.000 5.658) 5.852 8.359 ( 0.295 -0.000 0.286) 0.411 8.687 ( -2.567 0.000 -12.993) 13.244 8.914 ( 3.116 -0.000 -0.160) 3.120 9.756 ( 0.044 -0.000 -0.655) 0.657 10.126 ( 4.244 -0.000 2.188) 4.775 10.427 ( -7.559 0.000 2.235) 7.883 10.583 ( 3.305 -0.000 3.781) 5.022 10.647 ( -0.158 0.000 0.204) 0.258 11.103 ( -10.543 0.000 -8.808) 13.738 15.230 ( 13.291 -0.000 11.453) 17.545 15.480 ( 2.353 -0.000 -4.966) 5.495 16.679 ( 3.970 -0.000 -3.589) 5.352 16.941 ( 13.709 -0.000 -5.033) 14.604 19.463 ( -0.054 0.000 0.068) 0.087 19.678 ( -0.032 0.000 -0.037) 0.049======================= Grid point 584 (288/322) =======================q-point: ( 0.46 0.38 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.940 ( 12.082 -4.745 0.685) 12.998 2.164 ( 15.085 -12.499 -2.770) 19.785 2.333 ( -13.556 -5.475 3.103) 14.945 2.439 ( -7.744 -6.737 2.196) 10.497 2.740 ( -0.932 -11.823 2.105) 12.045 2.867 ( -3.556 -10.267 -1.104) 10.921 3.083 ( 19.529 -3.381 5.107) 20.467 3.478 ( -0.390 0.621 0.240) 0.772 3.610 ( 5.573 -6.893 1.642) 9.015 3.961 ( 2.199 -4.022 -2.925) 5.437 4.072 ( 0.093 -19.579 -2.243) 19.707 4.212 ( 1.277 -13.356 0.727) 13.436 4.273 ( 1.080 -2.357 -5.950) 6.490 4.349 ( -9.968 -8.635 -1.225) 13.245 4.535 ( -1.802 -5.290 7.322) 9.211 4.910 ( -3.994 -2.917 2.235) 5.427 5.028 ( -5.508 0.067 -4.958) 7.411 5.409 ( -4.781 1.205 -0.859) 5.005 7.126 ( 0.196 18.692 17.224) 25.419 7.242 ( -2.025 10.323 0.452) 10.529 8.095 ( 5.389 7.360 1.390) 9.227 8.219 ( -4.924 7.623 1.495) 9.197 8.544 ( -2.424 7.144 -10.602) 13.012 9.114 ( 2.515 -12.725 0.212) 12.973 9.824 ( 1.580 -2.698 0.670) 3.198 10.170 ( 3.142 0.534 2.023) 3.774 10.256 ( -3.935 6.605 0.752) 7.726 10.598 ( 1.971 1.421 3.513) 4.272 10.791 ( -0.640 -12.256 0.530) 12.284 10.995 ( -8.325 3.589 -7.725) 11.911 15.227 ( 9.196 7.531 8.973) 14.893 15.433 ( 1.997 4.998 -4.312) 6.897 16.637 ( 3.133 5.863 -2.712) 7.179 16.758 ( 7.612 19.478 -3.207) 21.157 19.669 ( -0.647 -19.215 0.729) 19.240 20.007 ( 0.171 -28.166 -1.089) 28.187======================= Grid point 585 (289/322) =======================q-point: (-0.46 -0.62 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.118 ( 7.474 -6.240 1.916) 9.923 2.390 ( -6.722 -10.189 3.037) 12.579 2.500 ( 4.691 -8.753 -0.106) 9.931 2.602 ( -3.144 -14.225 0.989) 14.602 2.960 ( -1.466 -11.300 1.572) 11.503 3.115 ( 0.013 -13.836 -0.508) 13.846 3.261 ( 10.035 -5.758 2.858) 11.917 3.443 ( -2.383 2.491 1.172) 3.641 3.822 ( 9.545 -8.883 1.776) 13.160 4.082 ( 4.963 -6.552 -1.167) 8.302 4.207 ( -10.237 -1.143 -2.304) 10.556 4.293 ( -9.932 -4.030 -3.734) 11.351 4.376 ( 1.012 -1.083 -1.685) 2.245 4.550 ( -0.787 -7.420 0.495) 7.478 4.920 ( -2.866 -21.067 3.701) 21.581 5.051 ( 8.369 -6.203 -0.777) 10.447 5.175 ( -3.280 -28.449 -2.420) 28.740 5.446 ( -4.390 -15.453 -0.593) 16.076 6.641 ( -1.538 29.515 9.666) 31.095 6.987 ( -0.558 14.102 -0.784) 14.135 7.921 ( 2.949 10.672 1.999) 11.251 8.153 ( -2.738 -1.004 2.612) 3.915 8.353 ( -0.631 10.216 -8.101) 13.053 9.358 ( 2.084 -9.791 0.788) 10.042 9.780 ( 2.145 7.619 1.173) 8.002 9.914 ( -1.554 16.938 1.596) 17.083 10.363 ( 0.871 -3.224 -1.363) 3.608 10.564 ( 2.172 2.504 3.077) 4.523 10.910 ( -6.302 -4.262 -4.205) 8.693 11.087 ( -0.023 -17.322 0.451) 17.328 15.124 ( 5.816 7.549 6.171) 11.353 15.316 ( 0.284 6.469 -3.840) 7.528 16.391 ( 2.847 15.901 -0.932) 16.181 16.542 ( 0.511 6.394 -1.919) 6.696 20.113 ( -0.889 -24.348 1.629) 24.418 20.573 ( 0.928 -26.444 -2.475) 26.576======================= Grid point 586 (290/322) =======================q-point: (-0.38 -0.62 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.227 ( -1.013 -1.363 3.386) 3.789 2.579 ( 0.307 -9.401 3.622) 10.079 2.654 ( -3.008 -7.109 1.528) 7.869 2.875 ( 2.194 -12.215 -0.610) 12.426 3.167 ( -1.579 -9.930 1.489) 10.164 3.331 ( 2.070 -3.522 -2.028) 4.561 3.401 ( -0.982 -5.930 2.947) 6.694 3.447 ( 4.704 -6.778 -1.136) 8.329 4.014 ( 2.440 -5.944 0.260) 6.431 4.136 ( -5.201 2.261 1.965) 6.002 4.248 ( 5.241 -4.629 2.281) 7.355 4.322 ( -1.102 1.755 -1.332) 2.463 4.372 ( -6.827 -9.521 -5.688) 13.023 4.599 ( -1.184 0.662 -1.400) 1.949 5.085 ( 4.886 -4.454 0.732) 6.652 5.206 ( -2.333 -6.610 -1.358) 7.140 5.846 ( -0.086 -34.589 -0.600) 34.595 6.004 ( 0.014 -3.459 2.024) 4.008 6.183 ( 1.107 -12.766 1.722) 12.929 6.726 ( -0.080 10.920 -0.699) 10.942 7.745 ( -2.317 8.144 4.812) 9.739 8.119 ( 2.316 12.183 -6.498) 14.000 8.204 ( -1.129 -4.516 1.323) 4.840 9.473 ( 2.407 2.240 2.939) 4.410 9.570 ( -1.256 14.374 -0.650) 14.444 9.615 ( -0.059 9.526 0.354) 9.532 10.255 ( 0.143 10.571 -0.998) 10.619 10.498 ( -0.034 5.263 -0.093) 5.264 11.178 ( -0.785 -22.274 -0.064) 22.288 11.439 ( 0.388 -17.785 0.049) 17.790 15.041 ( 2.644 4.191 4.533) 6.716 15.184 ( -2.281 5.730 -3.405) 7.045 16.181 ( -0.259 6.156 -0.225) 6.166 16.426 ( -0.016 5.361 -1.208) 5.496 20.559 ( -0.382 -20.612 1.531) 20.673 20.986 ( 1.102 -15.328 -2.452) 15.562======================= Grid point 587 (291/322) =======================q-point: (-0.31 -0.62 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.123 ( -4.439 11.403 3.591) 12.753 2.716 ( -1.519 -3.142 2.558) 4.327 2.745 ( -0.898 -3.305 2.059) 3.996 3.095 ( 1.106 -9.471 1.177) 9.607 3.293 ( -4.205 -4.349 0.480) 6.068 3.400 ( 7.126 -4.778 -2.492) 8.934 3.559 ( -2.419 -7.877 1.820) 8.438 3.612 ( -0.229 -8.362 -2.552) 8.746 4.050 ( -0.456 1.154 3.837) 4.033 4.126 ( 3.720 0.545 -1.589) 4.082 4.250 ( -2.284 0.685 -0.315) 2.405 4.352 ( -1.997 -4.971 -1.012) 5.452 4.524 ( 0.437 2.080 -1.384) 2.536 4.612 ( 2.559 -9.543 -0.284) 9.885 5.189 ( -3.157 -6.041 -2.225) 7.170 5.359 ( 4.035 -7.689 0.408) 8.693 5.700 ( 2.184 12.448 1.222) 12.698 6.282 ( -0.031 -4.543 -0.377) 4.559 6.676 ( 0.524 -9.539 -0.195) 9.555 6.869 ( 1.549 -31.674 -0.238) 31.713 7.597 ( -7.218 4.267 5.844) 10.221 7.902 ( 5.576 10.432 -6.807) 13.647 8.323 ( -1.938 -8.166 1.598) 8.543 9.242 ( 0.287 14.282 3.258) 14.652 9.373 ( 1.656 10.057 -1.237) 10.267 9.488 ( -1.787 5.753 0.368) 6.036 10.039 ( -0.079 10.106 -1.199) 10.178 10.416 ( 0.714 2.345 0.448) 2.492 11.642 ( -1.000 -23.614 -0.659) 23.644 11.767 ( 2.702 -14.877 -0.373) 15.125 15.000 ( 0.507 1.938 3.828) 4.320 15.056 ( -4.534 4.853 -3.244) 7.391 16.127 ( -1.368 -0.322 0.013) 1.405 16.330 ( -0.013 4.344 -1.020) 4.462 20.899 ( 0.035 -13.901 0.718) 13.919 21.186 ( 0.459 -5.599 -1.302) 5.767======================= Grid point 588 (292/322) =======================q-point: (-0.23 -0.62 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.778 ( -4.332 19.926 3.145) 20.633 2.707 ( -3.397 1.638 1.580) 4.089 2.763 ( 0.716 2.007 2.221) 3.077 3.251 ( -3.085 -5.684 3.852) 7.528 3.353 ( 0.604 -4.054 -3.368) 5.305 3.531 ( 5.840 -4.000 -0.472) 7.095 3.669 ( -5.206 -5.263 1.887) 7.639 3.757 ( -1.698 -7.243 -2.995) 8.020 4.045 ( 3.663 1.201 5.330) 6.578 4.089 ( 2.487 3.238 -2.704) 4.897 4.270 ( -2.174 -2.898 -1.224) 3.824 4.432 ( -1.177 -1.899 -1.526) 2.706 4.453 ( 1.272 1.806 0.265) 2.225 4.817 ( 5.339 -7.503 -0.553) 9.225 5.280 ( -5.669 -5.819 -1.432) 8.249 5.507 ( 3.957 -4.530 0.948) 6.089 5.623 ( 4.555 -1.777 -0.520) 4.917 6.233 ( 0.192 4.327 0.075) 4.332 6.884 ( 0.458 -7.122 0.016) 7.136 7.219 ( -5.569 -3.039 2.153) 6.700 7.594 ( -2.981 -5.794 2.585) 7.010 7.793 ( 5.718 1.111 -6.482) 8.714 8.510 ( -3.966 -12.519 2.497) 13.367 8.986 ( 1.672 13.524 3.173) 13.991 9.202 ( 2.783 8.175 -1.670) 8.795 9.339 ( -2.368 7.609 1.197) 8.059 9.890 ( -0.167 4.400 -1.359) 4.608 10.430 ( 1.301 -2.655 0.358) 2.978 11.970 ( -2.873 -10.925 -1.932) 11.461 12.104 ( 5.070 -16.591 -0.585) 17.358 14.926 ( -3.251 5.250 0.283) 6.181 14.981 ( -2.317 0.492 0.121) 2.372 16.146 ( -2.426 -1.963 0.051) 3.121 16.252 ( 1.132 3.600 -0.968) 3.896 21.105 ( -0.004 -7.185 -0.085) 7.186 21.236 ( -0.093 -0.370 -0.093) 0.393======================= Grid point 589 (293/322) =======================q-point: (-0.15 -0.62 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.397 ( -2.331 14.878 3.606) 15.485 2.660 ( -1.367 1.232 1.661) 2.479 2.701 ( 0.769 4.424 1.949) 4.895 3.285 ( -6.749 -1.155 2.420) 7.263 3.440 ( 5.880 -2.219 -2.068) 6.616 3.604 ( 4.569 -0.273 0.281) 4.585 3.709 ( -7.996 -2.177 2.224) 8.580 3.844 ( -2.103 -2.463 -1.633) 3.627 4.047 ( 6.453 1.777 1.061) 6.776 4.060 ( 1.390 0.860 0.546) 1.723 4.305 ( -1.834 -1.885 -2.495) 3.626 4.383 ( 2.426 2.559 1.460) 3.816 4.512 ( -2.608 -4.074 -2.608) 5.496 4.955 ( 6.745 -3.143 -1.004) 7.509 5.327 ( -6.721 -2.745 0.157) 7.262 5.629 ( 4.379 -4.818 0.558) 6.534 5.726 ( 2.508 -5.734 -1.231) 6.378 6.175 ( 0.209 1.414 0.385) 1.480 6.961 ( -1.095 -1.778 0.689) 2.199 7.130 ( -8.512 4.529 2.373) 9.930 7.619 ( 4.670 1.384 -2.561) 5.503 7.890 ( -0.356 -5.178 -2.916) 5.953 8.733 ( 5.618 14.051 3.292) 15.487 8.750 ( -7.319 -12.448 4.720) 15.192 9.101 ( 4.357 2.857 -2.405) 5.739 9.202 ( -2.605 4.158 1.074) 5.023 9.849 ( 0.001 0.408 -1.494) 1.548 10.496 ( 1.113 -2.188 0.192) 2.462 12.086 ( -0.449 -2.459 -2.567) 3.583 12.379 ( 1.828 -8.628 -0.841) 8.859 14.810 ( -2.274 4.860 0.488) 5.388 14.960 ( -1.530 0.530 -0.034) 1.620 16.137 ( -1.237 2.140 -0.378) 2.501 16.221 ( 1.414 0.017 -0.648) 1.555 21.189 ( -0.250 -1.873 0.073) 1.891 21.229 ( 0.057 0.552 -0.050) 0.558======================= Grid point 590 (294/322) =======================q-point: (-0.08 0.38 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.275 ( 2.081 -2.719 4.852) 5.938 2.619 ( 2.847 4.413 1.036) 5.353 2.672 ( -0.559 -1.985 2.751) 3.438 3.251 ( -4.730 1.086 1.738) 5.155 3.479 ( 6.694 1.835 -0.861) 6.994 3.593 ( 4.735 4.261 0.787) 6.418 3.657 ( -9.031 2.943 1.834) 9.673 3.824 ( -3.038 2.448 0.608) 3.949 4.050 ( 1.818 1.121 -0.236) 2.149 4.064 ( 7.919 1.533 0.078) 8.067 4.312 ( -1.261 -0.332 -3.324) 3.571 4.380 ( 1.295 -0.508 2.720) 3.055 4.561 ( -5.088 -3.870 -4.453) 7.791 5.012 ( 5.749 0.830 -1.577) 6.019 5.322 ( -4.817 -0.468 1.237) 4.995 5.680 ( 1.790 1.466 -1.282) 2.645 5.879 ( -3.613 -9.201 -0.674) 9.908 6.186 ( -0.190 -2.332 0.591) 2.413 6.937 ( -5.287 2.367 1.929) 6.105 7.028 ( -0.366 2.688 0.747) 2.814 7.649 ( 4.356 -2.000 -2.671) 5.487 7.904 ( -2.196 2.481 -2.643) 4.238 8.492 ( 5.801 13.458 3.084) 14.976 8.897 ( -3.823 -5.184 5.749) 8.634 9.144 ( -1.054 -2.810 3.246) 4.421 9.209 ( 1.009 -7.896 -4.513) 9.150 9.841 ( 0.123 0.300 -1.506) 1.541 10.503 ( 0.881 2.068 0.305) 2.269 12.055 ( 0.628 5.165 -2.750) 5.885 12.443 ( -1.436 2.227 -0.505) 2.697 14.716 ( 0.266 4.189 1.261) 4.382 14.946 ( 0.601 0.374 -0.817) 1.081 16.077 ( 2.001 3.641 -0.281) 4.164 16.237 ( 0.884 -0.771 -0.913) 1.486 21.190 ( 0.123 2.289 -0.263) 2.308 21.223 ( 0.116 -0.511 0.191) 0.557======================= Grid point 597 (295/322) =======================q-point: (-0.54 -0.54 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.967 ( 11.575 -0.000 1.091) 11.627 2.094 ( 10.116 -0.000 -2.176) 10.347 2.189 ( -15.415 0.000 3.637) 15.838 2.331 ( -6.817 0.000 1.571) 6.996 2.601 ( 3.616 -0.000 0.666) 3.677 2.737 ( -4.384 0.000 -1.230) 4.553 3.180 ( 17.351 -0.000 6.138) 18.405 3.513 ( -1.052 0.000 3.935) 4.073 3.524 ( -0.950 0.000 -1.998) 2.212 3.793 ( 0.505 -0.000 -2.875) 2.919 3.962 ( 6.903 -0.000 -3.055) 7.549 4.045 ( -4.538 0.000 3.402) 5.671 4.212 ( -8.599 0.000 -2.455) 8.942 4.262 ( -5.761 0.000 -4.335) 7.210 4.527 ( 7.170 -0.000 7.210) 10.168 4.844 ( -8.723 0.000 -4.621) 9.871 5.031 ( 3.647 -0.000 0.303) 3.660 5.405 ( -3.332 0.000 -1.404) 3.615 7.340 ( -1.567 0.000 0.699) 1.716 7.357 ( 2.458 -0.000 18.679) 18.841 8.137 ( -2.199 0.000 3.730) 4.330 8.379 ( 2.461 -0.000 1.437) 2.850 8.612 ( -2.949 0.000 -13.188) 13.514 8.937 ( 1.001 -0.000 -0.101) 1.006 9.754 ( -0.148 0.000 -0.393) 0.420 10.169 ( 2.583 -0.000 0.164) 2.588 10.370 ( -3.418 0.000 2.879) 4.468 10.624 ( 1.865 -0.000 3.255) 3.751 10.647 ( 0.089 -0.000 0.046) 0.101 10.988 ( -4.891 0.000 -7.172) 8.681 15.361 ( 3.532 -0.000 9.083) 9.745 15.496 ( 2.912 -0.000 -3.930) 4.891 16.698 ( 1.064 -0.000 -2.872) 3.063 17.048 ( 7.097 -0.000 -5.383) 8.907 19.462 ( -0.030 0.000 0.068) 0.074 19.678 ( -0.000 0.000 -0.041) 0.041======================= Grid point 598 (296/322) =======================q-point: (-0.46 -0.54 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.036 ( -4.032 -3.771 2.438) 6.035 2.186 ( -0.515 -7.318 2.349) 7.703 2.291 ( -8.188 -12.770 2.271) 15.338 2.384 ( 8.635 -6.528 -1.250) 10.897 2.768 ( 3.465 -8.913 2.014) 9.773 2.826 ( -1.769 -13.308 -2.639) 13.682 3.249 ( 5.062 -0.320 2.801) 5.794 3.461 ( -1.221 0.830 0.182) 1.487 3.683 ( 3.277 -10.899 1.933) 11.544 3.914 ( -6.798 -7.831 -3.372) 10.905 4.102 ( -2.307 -5.645 6.857) 9.176 4.153 ( -13.092 -12.015 0.902) 17.792 4.242 ( 5.468 -10.721 -3.844) 12.634 4.274 ( 1.934 -9.011 -4.404) 10.214 4.619 ( 9.028 -4.733 5.927) 11.791 4.815 ( -5.301 -4.022 -6.292) 9.158 5.062 ( 4.413 -0.853 0.501) 4.522 5.364 ( -0.674 1.888 -1.737) 2.653 7.165 ( -1.593 19.168 13.059) 23.248 7.251 ( 2.665 11.947 1.298) 12.309 8.133 ( -2.799 0.047 3.237) 4.280 8.183 ( 0.986 15.074 -0.110) 15.106 8.496 ( -0.190 5.917 -8.842) 10.641 9.130 ( 0.170 -13.173 0.048) 13.174 9.840 ( 1.047 -4.088 -0.304) 4.231 10.209 ( 2.521 6.815 2.176) 7.585 10.220 ( -2.422 0.372 -0.155) 2.455 10.625 ( 1.315 1.428 3.322) 3.848 10.791 ( -0.099 -12.152 0.227) 12.155 10.911 ( -2.337 3.982 -5.664) 7.307 15.312 ( 1.348 6.861 7.366) 10.156 15.434 ( 0.246 6.063 -4.445) 7.522 16.647 ( -0.015 4.671 -1.886) 5.037 16.800 ( 1.194 21.881 -3.788) 22.238 19.666 ( -0.215 -18.994 0.714) 19.009 20.011 ( 1.281 -28.341 -1.738) 28.423======================= Grid point 599 (297/322) =======================q-point: (-0.38 -0.54 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.101 ( -11.291 -7.042 3.522) 13.765 2.392 ( 2.084 -11.035 2.506) 11.507 2.455 ( -5.932 -9.840 3.683) 12.066 2.652 ( 7.724 -12.498 -3.045) 15.004 2.967 ( 1.916 -10.422 1.179) 10.662 3.120 ( 1.305 -14.284 -1.132) 14.388 3.296 ( -5.124 -4.389 -0.307) 6.754 3.457 ( 4.615 1.120 -0.132) 4.750 3.873 ( -6.075 -8.862 -2.347) 10.998 4.034 ( -8.776 -9.604 1.641) 13.112 4.158 ( -5.961 0.007 2.103) 6.322 4.203 ( 5.970 -4.555 4.844) 8.936 4.395 ( 1.708 -1.559 -2.389) 3.324 4.576 ( 4.887 -5.342 -1.708) 7.439 4.952 ( 7.126 -17.202 1.091) 18.651 5.055 ( -5.353 -14.730 -2.724) 15.907 5.172 ( 1.223 -21.011 -1.157) 21.078 5.450 ( 6.259 -17.496 -1.192) 18.620 6.666 ( 1.131 30.186 7.770) 31.190 6.992 ( 2.113 14.782 -1.676) 15.026 7.908 ( -6.295 10.318 3.443) 12.567 8.150 ( 0.622 -0.815 2.446) 2.653 8.340 ( 2.283 9.565 -6.694) 11.896 9.367 ( -0.861 -10.252 -0.061) 10.288 9.802 ( 1.504 7.453 -0.995) 7.668 9.910 ( 0.049 17.609 2.054) 17.728 10.356 ( -1.511 -2.767 -0.642) 3.217 10.595 ( 1.918 3.524 0.745) 4.081 10.863 ( -0.170 -6.363 -0.457) 6.382 11.094 ( 1.122 -17.068 -0.195) 17.106 15.169 ( -1.061 7.759 3.953) 8.773 15.286 ( -3.506 6.789 -2.996) 8.207 16.391 ( -2.457 16.337 -0.929) 16.547 16.534 ( -0.971 5.952 -1.157) 6.141 20.112 ( -0.195 -24.368 1.698) 24.428 20.585 ( 2.796 -26.222 -3.616) 26.617======================= Grid point 600 (298/322) =======================q-point: (-0.31 -0.54 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.154 ( -11.690 -3.176 3.536) 12.619 2.576 ( -8.644 -9.135 2.309) 12.787 2.642 ( 4.754 -7.564 3.054) 9.441 2.909 ( 4.123 -10.859 -1.995) 11.786 3.168 ( 0.832 -7.873 2.292) 8.242 3.358 ( 2.649 -6.507 -2.925) 7.610 3.373 ( -5.125 -8.700 0.529) 10.111 3.466 ( 1.218 -2.014 -3.448) 4.174 3.997 ( -4.242 -7.483 -2.506) 8.959 4.138 ( -2.212 -0.515 4.474) 5.018 4.166 ( -8.256 -8.518 0.572) 11.876 4.311 ( 3.282 2.583 2.614) 4.927 4.417 ( 5.380 -5.169 -1.559) 7.622 4.636 ( 7.808 1.108 1.184) 7.975 5.059 ( -5.820 -3.460 -3.628) 7.682 5.245 ( 6.738 -7.423 0.344) 10.031 5.838 ( -0.567 -33.665 -0.469) 33.673 6.055 ( 7.299 -2.746 1.613) 7.964 6.212 ( 3.496 -12.878 -0.123) 13.344 6.736 ( 2.088 11.171 -0.437) 11.373 7.691 ( -9.005 8.367 4.933) 13.245 8.136 ( 3.579 10.608 -5.839) 12.627 8.199 ( -0.899 -3.145 1.891) 3.778 9.480 ( -2.259 -1.453 -1.336) 3.000 9.562 ( 0.509 17.511 2.414) 17.684 9.625 ( 1.506 10.190 -0.447) 10.311 10.246 ( -1.048 10.187 -0.903) 10.280 10.503 ( 0.682 5.201 -0.069) 5.246 11.186 ( 1.964 -21.741 0.920) 21.849 11.451 ( 1.904 -18.147 -0.405) 18.251 15.038 ( -5.171 3.887 -0.056) 6.469 15.135 ( -4.465 5.822 0.348) 7.345 16.162 ( -2.818 5.775 0.187) 6.429 16.416 ( -1.131 5.094 -0.776) 5.275 20.563 ( 0.114 -20.609 1.549) 20.667 20.997 ( 2.279 -14.719 -3.081) 15.210======================= Grid point 601 (299/322) =======================q-point: (-0.23 -0.54 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.044 ( -10.149 9.106 2.812) 13.923 2.665 ( -7.061 -4.188 1.185) 8.294 2.762 ( 0.715 -2.503 2.620) 3.693 3.116 ( 1.658 -7.726 1.738) 8.091 3.272 ( 1.045 -3.882 -0.841) 4.107 3.473 ( 6.702 -4.855 -2.592) 8.672 3.508 ( -6.900 -8.243 -0.002) 10.750 3.580 ( -2.848 -8.278 -3.224) 9.329 4.078 ( 2.351 -1.094 4.480) 5.176 4.179 ( -5.908 -4.376 -1.412) 7.487 4.207 ( 6.874 5.219 -0.471) 8.644 4.299 ( -4.527 -6.141 -1.014) 7.696 4.521 ( -0.143 0.013 -1.475) 1.482 4.707 ( 8.917 -5.224 4.639) 11.328 5.127 ( -3.433 -6.417 -2.480) 7.689 5.423 ( 5.451 -6.984 -0.441) 8.870 5.759 ( 7.221 12.891 1.121) 14.818 6.283 ( 0.301 -4.820 -0.191) 4.834 6.687 ( 1.344 -9.187 -0.081) 9.285 6.900 ( 4.042 -29.313 -0.453) 29.594 7.504 ( -11.155 4.023 4.397) 12.647 7.948 ( 5.610 9.553 -5.945) 12.573 8.292 ( -4.489 -7.450 2.061) 8.938 9.261 ( 1.407 13.735 2.081) 13.963 9.385 ( 1.043 8.709 -2.440) 9.104 9.469 ( -1.721 6.722 1.967) 7.212 10.028 ( -0.939 9.918 -1.435) 10.065 10.434 ( 1.723 2.169 0.685) 2.854 11.621 ( -1.838 -20.639 -0.550) 20.728 11.817 ( 5.803 -17.207 -0.840) 18.178 14.948 ( -8.141 1.501 -4.319) 9.337 15.018 ( -2.990 4.031 4.470) 6.721 16.102 ( -2.909 -0.367 0.449) 2.966 16.323 ( -0.735 3.756 -0.737) 3.898 20.903 ( 0.173 -13.727 0.589) 13.741 21.190 ( 0.814 -5.110 -1.297) 5.334======================= Grid point 602 (300/322) =======================q-point: (-0.15 -0.54 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.718 ( -7.224 17.642 2.395) 19.214 2.670 ( -3.786 0.005 1.092) 3.941 2.768 ( -1.285 1.699 1.979) 2.907 3.207 ( -4.050 -2.978 2.460) 5.597 3.395 ( 6.684 -5.639 -3.035) 9.257 3.587 ( -0.090 -3.357 0.424) 3.385 3.604 ( -2.694 -5.130 1.295) 5.937 3.717 ( -2.852 -7.734 -3.813) 9.082 4.086 ( -0.176 1.571 1.976) 2.530 4.142 ( 6.206 2.590 2.932) 7.336 4.250 ( 1.348 -2.386 -1.680) 3.214 4.387 ( -6.414 -5.777 -3.222) 9.214 4.466 ( 1.408 4.026 0.336) 4.279 4.889 ( 5.475 -6.967 1.238) 8.947 5.229 ( -1.273 -4.804 0.037) 4.970 5.566 ( 4.779 -4.679 0.108) 6.689 5.682 ( 6.686 0.220 -0.498) 6.708 6.240 ( 0.736 4.369 0.396) 4.448 6.890 ( 0.450 -6.691 0.251) 6.711 7.149 ( -7.346 1.332 2.362) 7.830 7.573 ( -1.418 -11.332 0.823) 11.450 7.829 ( 4.167 3.440 -5.918) 8.014 8.454 ( -7.007 -12.300 2.610) 14.395 9.033 ( 4.418 12.355 2.566) 13.370 9.228 ( 2.634 7.373 -2.691) 8.279 9.314 ( -2.802 7.789 2.855) 8.756 9.881 ( -0.545 4.065 -1.565) 4.390 10.449 ( 1.499 -2.316 0.361) 2.782 11.926 ( -3.414 -12.297 -1.827) 12.893 12.173 ( 6.772 -14.352 -1.154) 15.911 14.860 ( -6.309 2.391 -2.898) 7.343 14.960 ( -2.697 1.150 3.128) 4.288 16.113 ( -3.274 -1.875 0.269) 3.783 16.259 ( 0.430 2.480 -0.698) 2.612 21.104 ( -0.057 -6.978 -0.206) 6.981 21.235 ( -0.095 -0.317 0.099) 0.346======================= Grid point 603 (301/322) =======================q-point: (-0.08 -0.54 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.376 ( -3.081 11.836 3.289) 12.665 2.654 ( -0.676 -0.116 1.835) 1.959 2.707 ( -0.798 3.441 1.452) 3.819 3.224 ( -3.662 -1.052 1.034) 3.948 3.514 ( 7.193 -2.244 -1.725) 7.730 3.607 ( -6.856 -1.264 1.176) 7.070 3.669 ( 2.385 -0.572 2.408) 3.437 3.808 ( -2.569 -2.974 -2.566) 4.694 4.063 ( -0.196 0.392 -0.333) 0.551 4.150 ( 8.450 1.981 4.562) 9.805 4.286 ( 0.208 -1.202 -2.210) 2.525 4.392 ( -4.278 0.617 -0.908) 4.417 4.455 ( -2.509 -2.641 -2.502) 4.419 5.018 ( 3.638 -3.139 -1.274) 4.971 5.290 ( -0.021 -1.779 1.485) 2.317 5.669 ( 1.706 -3.046 -0.303) 3.504 5.753 ( 3.722 -3.469 -0.652) 5.129 6.182 ( 0.674 1.690 0.406) 1.864 6.937 ( -3.512 0.347 1.670) 3.905 7.064 ( -3.370 1.758 0.725) 3.869 7.650 ( 1.846 0.700 -1.494) 2.476 7.874 ( -0.347 -3.823 -3.299) 5.062 8.670 ( -8.165 -11.708 3.924) 14.803 8.828 ( 7.901 12.100 2.963) 14.751 9.141 ( 3.731 2.184 -2.700) 5.097 9.171 ( -3.680 4.316 2.284) 6.114 9.844 ( -0.004 0.244 -1.567) 1.586 10.508 ( 0.755 -1.989 0.190) 2.136 12.065 ( -1.585 -3.860 -2.467) 4.847 12.406 ( 3.285 -5.986 -1.127) 6.921 14.782 ( -2.491 2.645 -0.128) 3.635 14.942 ( -1.502 -0.209 0.521) 1.604 16.120 ( -1.621 -0.021 -0.177) 1.631 16.233 ( 0.892 0.481 -0.665) 1.212 21.186 ( -0.240 -2.034 0.159) 2.054 21.230 ( -0.010 0.506 -0.092) 0.514======================= Grid point 611 (302/322) =======================q-point: (-0.46 -0.46 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.933 ( -16.461 0.000 4.319) 17.018 2.039 ( -16.306 0.000 2.970) 16.575 2.206 ( 14.298 -0.000 2.106) 14.453 2.365 ( 9.262 -0.000 -1.706) 9.417 2.642 ( 1.878 -0.000 -2.911) 3.464 2.716 ( 2.833 -0.000 0.656) 2.908 3.270 ( -7.230 0.000 -1.097) 7.313 3.486 ( -3.868 0.000 0.159) 3.871 3.515 ( -0.857 0.000 3.938) 4.030 3.788 ( 0.091 -0.000 -2.496) 2.498 3.872 ( -14.951 0.000 4.522) 15.620 4.050 ( 1.546 -0.000 5.369) 5.587 4.206 ( -2.967 0.000 -2.408) 3.821 4.220 ( 9.830 -0.000 -1.304) 9.916 4.643 ( 6.324 -0.000 0.103) 6.325 4.779 ( 4.609 -0.000 -3.343) 5.694 5.066 ( -0.115 0.000 -1.901) 1.905 5.399 ( 4.228 -0.000 -1.046) 4.355 7.343 ( 1.748 -0.000 0.430) 1.800 7.417 ( -1.682 0.000 14.240) 14.339 8.134 ( 0.514 -0.000 3.753) 3.788 8.410 ( 1.081 -0.000 1.546) 1.886 8.548 ( -0.681 0.000 -11.221) 11.241 8.936 ( -1.137 0.000 -0.008) 1.137 9.750 ( -0.376 0.000 -0.039) 0.378 10.185 ( 0.577 -0.000 -1.508) 1.615 10.370 ( 1.726 -0.000 3.197) 3.633 10.649 ( 0.344 -0.000 -0.176) 0.386 10.650 ( 1.312 -0.000 2.071) 2.452 10.942 ( -0.148 0.000 -4.092) 4.094 15.385 ( -2.619 0.000 6.963) 7.440 15.507 ( 0.201 -0.000 -4.914) 4.918 16.687 ( -1.724 0.000 -1.725) 2.439 17.064 ( -1.216 0.000 -7.287) 7.388 19.462 ( -0.004 0.000 0.066) 0.066 19.678 ( 0.035 -0.000 -0.047) 0.059======================= Grid point 612 (303/322) =======================q-point: (-0.38 -0.46 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.893 ( -16.494 -5.316 5.122) 18.070 2.090 ( -17.607 -12.994 3.971) 22.240 2.346 ( 13.247 -4.943 2.043) 14.286 2.491 ( 7.581 -7.804 -2.736) 11.219 2.797 ( 2.144 -9.574 -2.317) 10.081 2.844 ( 5.123 -12.319 0.309) 13.345 3.186 ( -15.591 -1.326 -4.474) 16.274 3.454 ( -3.075 -2.318 1.871) 4.281 3.625 ( -9.678 -7.760 0.672) 12.423 3.873 ( -1.534 -5.310 5.504) 7.800 4.017 ( -2.316 -16.395 1.752) 16.651 4.134 ( -2.720 -3.053 7.328) 8.392 4.264 ( 0.690 -9.734 -2.856) 10.168 4.346 ( 8.676 -11.739 -1.237) 14.649 4.691 ( 2.727 -4.184 -6.123) 7.902 4.858 ( 14.180 -3.572 2.625) 14.856 5.053 ( -3.601 -0.432 -4.121) 5.490 5.410 ( 8.170 1.467 -1.025) 8.364 7.182 ( -1.483 17.653 9.059) 19.897 7.294 ( 3.985 12.851 -0.012) 13.455 8.082 ( -5.576 9.588 2.478) 11.365 8.215 ( 2.623 7.918 1.406) 8.459 8.486 ( 2.154 4.909 -5.909) 7.979 9.117 ( -2.304 -13.276 -0.171) 13.475 9.844 ( 0.153 -4.860 -1.414) 5.064 10.192 ( -2.222 2.090 -0.269) 3.062 10.253 ( 3.909 6.541 1.538) 7.773 10.652 ( 1.630 1.041 0.763) 2.079 10.786 ( -0.257 -10.191 0.608) 10.213 10.908 ( 3.473 1.833 -1.377) 4.161 15.315 ( -4.033 6.367 5.735) 9.470 15.397 ( -4.329 7.535 -5.854) 10.478 16.625 ( -3.040 4.501 -1.344) 5.596 16.760 ( -5.925 21.654 -3.886) 22.784 19.669 ( 0.178 -19.072 0.773) 19.088 20.026 ( 2.440 -29.241 -2.911) 29.487======================= Grid point 613 (304/322) =======================q-point: (-0.31 -0.46 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.952 ( -14.891 -8.347 4.989) 17.785 2.278 ( -15.501 -14.126 4.082) 21.366 2.540 ( 9.807 -7.107 1.830) 12.248 2.713 ( 4.500 -11.104 -3.625) 12.518 3.006 ( 3.463 -9.911 0.473) 10.510 3.136 ( 1.652 -13.633 -1.566) 13.822 3.170 ( -13.917 -6.928 -3.849) 16.015 3.512 ( 4.007 -0.206 -0.992) 4.133 3.705 ( -14.554 -10.829 -1.178) 18.179 3.978 ( -5.111 -6.259 3.298) 8.728 4.145 ( -1.947 -0.592 8.019) 8.273 4.280 ( 3.639 -7.155 4.445) 9.176 4.415 ( 4.533 -3.351 -3.119) 6.442 4.663 ( 10.476 -5.338 -0.246) 11.760 4.947 ( -10.522 -11.832 -3.372) 16.189 5.069 ( 11.753 -14.592 -2.412) 18.891 5.188 ( 2.849 -21.951 -0.090) 22.135 5.555 ( 11.270 -17.387 -1.897) 20.807 6.712 ( 3.034 29.023 5.399) 29.677 7.026 ( 4.827 15.697 -2.240) 16.574 7.819 ( -10.060 9.960 3.327) 14.542 8.169 ( 0.706 1.328 3.426) 3.741 8.357 ( 3.428 8.886 -4.762) 10.649 9.339 ( -3.526 -10.175 -0.863) 10.803 9.807 ( 0.412 7.281 -3.022) 7.894 9.928 ( 1.709 17.446 2.209) 17.668 10.330 ( -2.547 -2.643 0.036) 3.671 10.599 ( -1.012 4.703 -3.269) 5.816 10.910 ( 6.997 -7.645 4.994) 11.504 11.112 ( 2.262 -16.480 -0.692) 16.649 15.111 ( -9.679 8.453 -2.461) 13.084 15.228 ( -5.538 6.398 1.711) 8.633 16.332 ( -6.777 14.375 -0.646) 15.906 16.512 ( -2.434 5.795 -0.311) 6.293 20.119 ( 0.387 -24.403 1.939) 24.483 20.614 ( 4.484 -25.979 -5.306) 26.892======================= Grid point 614 (305/322) =======================q-point: (-0.23 -0.46 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.013 ( -13.655 -4.221 3.815) 14.793 2.450 ( -13.603 -11.298 3.143) 17.960 2.705 ( 3.832 -4.797 1.046) 6.228 2.954 ( 4.600 -11.058 -2.214) 12.180 3.192 ( 0.439 -7.184 2.497) 7.618 3.271 ( -8.623 -9.733 -3.506) 13.468 3.374 ( 0.483 -9.995 -1.894) 10.185 3.484 ( 4.025 2.107 -4.179) 6.173 3.902 ( -9.637 -14.524 -3.473) 17.773 4.062 ( -4.516 -4.652 2.956) 7.125 4.175 ( -2.395 -2.361 7.488) 8.208 4.381 ( 5.831 2.112 3.537) 7.140 4.447 ( 3.357 -2.371 -3.810) 5.605 4.758 ( 9.106 1.418 4.422) 10.222 4.993 ( -1.655 -5.529 -3.424) 6.710 5.320 ( 6.022 -6.427 -1.113) 8.878 5.834 ( 0.167 -33.454 -1.023) 33.471 6.176 ( 12.399 1.778 1.894) 12.669 6.262 ( 5.526 -15.800 -1.957) 16.853 6.770 ( 3.927 11.555 -0.174) 12.206 7.580 ( -12.014 8.779 3.689) 15.330 8.164 ( 2.133 4.218 -0.017) 4.727 8.186 ( -0.985 4.284 -1.343) 4.597 9.428 ( -4.799 -0.625 -2.915) 5.649 9.582 ( 0.817 14.914 2.227) 15.102 9.647 ( 2.595 11.167 -0.730) 11.488 10.227 ( -1.618 9.903 -0.850) 10.070 10.504 ( -0.829 3.483 -0.452) 3.609 11.230 ( 4.624 -18.255 2.238) 18.964 11.481 ( 3.634 -19.295 -0.826) 19.652 14.926 ( -11.675 3.287 -4.141) 12.816 15.086 ( -5.691 5.000 3.854) 8.500 16.120 ( -4.536 4.697 0.443) 6.544 16.394 ( -2.415 4.635 -0.311) 5.235 20.571 ( 0.468 -20.409 1.690) 20.484 21.018 ( 3.213 -13.788 -3.936) 14.694======================= Grid point 615 (306/322) =======================q-point: (-0.15 -0.46 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.921 ( -11.811 7.124 2.141) 13.959 2.565 ( -10.455 -7.194 1.707) 12.806 2.772 ( 0.019 -0.848 1.148) 1.427 3.146 ( 2.624 -4.421 1.779) 5.440 3.302 ( 3.693 -5.600 -1.311) 6.835 3.413 ( -8.080 -9.657 -1.734) 12.711 3.532 ( -1.952 -5.881 -2.496) 6.680 3.541 ( 4.642 -6.418 -3.094) 8.504 4.075 ( -7.806 -6.717 -3.819) 10.983 4.120 ( 2.155 -2.364 4.564) 5.574 4.217 ( -9.059 -4.781 0.779) 10.273 4.339 ( 11.852 5.338 2.471) 13.231 4.510 ( -1.039 -1.117 -1.649) 2.247 4.802 ( 4.374 -3.315 4.852) 7.326 5.131 ( 5.094 -6.246 -0.425) 8.071 5.470 ( 2.976 -6.473 -1.605) 7.303 5.875 ( 12.245 13.119 0.937) 17.970 6.288 ( 0.724 -5.249 -0.319) 5.308 6.706 ( 1.769 -8.361 0.190) 8.548 6.960 ( 6.535 -25.216 -0.405) 26.052 7.374 ( -12.498 2.200 1.969) 12.842 7.993 ( 4.271 9.650 -3.668) 11.172 8.232 ( -6.568 -6.433 2.181) 9.449 9.276 ( 0.267 10.780 -1.071) 10.836 9.382 ( -0.473 7.618 -0.173) 7.635 9.468 ( 0.655 8.664 1.643) 8.843 10.010 ( -1.227 9.668 -1.537) 9.866 10.452 ( 0.629 1.606 0.692) 1.859 11.604 ( -0.894 -17.558 0.118) 17.582 11.889 ( 7.102 -18.713 -1.599) 20.079 14.826 ( -9.846 0.274 -4.518) 10.836 14.986 ( -4.935 2.743 4.516) 7.230 16.063 ( -4.032 -0.554 0.470) 4.097 16.307 ( -1.737 2.953 -0.292) 3.438 20.907 ( 0.248 -13.398 0.529) 13.411 21.197 ( 1.070 -4.412 -1.382) 4.745======================= Grid point 616 (307/322) =======================q-point: (-0.08 -0.46 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.631 ( -8.505 14.922 1.446) 17.237 2.620 ( -5.494 -3.277 0.942) 6.466 2.751 ( -1.996 2.199 1.588) 3.368 3.193 ( 0.640 -1.066 1.316) 1.810 3.465 ( 5.408 -6.705 -2.208) 8.892 3.511 ( -6.851 -4.550 1.440) 8.350 3.629 ( -0.344 -5.079 -2.126) 5.516 3.689 ( 1.839 -6.521 -2.335) 7.167 4.069 ( -2.549 0.815 0.412) 2.707 4.198 ( 2.300 -2.274 1.816) 3.709 4.260 ( -12.597 -5.393 -2.831) 13.993 4.326 ( 9.751 3.180 2.465) 10.549 4.481 ( 0.748 2.393 -0.062) 2.508 4.934 ( 1.635 -6.217 1.358) 6.570 5.256 ( 4.520 -3.219 1.149) 5.667 5.595 ( 0.736 -5.201 -1.043) 5.355 5.798 ( 13.002 3.676 0.559) 13.523 6.250 ( 0.836 4.332 0.228) 4.418 6.892 ( -0.451 -5.451 0.859) 5.537 7.072 ( -6.397 2.651 1.099) 7.011 7.570 ( 0.981 -13.811 -0.478) 13.854 7.850 ( 1.630 4.935 -3.376) 6.197 8.373 ( -7.686 -11.917 2.038) 14.326 9.087 ( 3.407 9.742 -0.187) 10.322 9.240 ( 0.362 6.358 -0.947) 6.438 9.303 ( -0.299 8.850 3.122) 9.389 9.870 ( -0.440 3.632 -1.614) 3.998 10.462 ( 0.414 -2.136 0.306) 2.197 11.886 ( -2.554 -12.169 -0.909) 12.467 12.248 ( 6.926 -13.087 -2.237) 14.975 14.776 ( -6.188 -0.354 -3.180) 6.966 14.935 ( -3.215 0.682 3.326) 4.676 16.073 ( -3.843 -2.271 0.232) 4.470 16.257 ( -0.574 1.509 -0.333) 1.648 21.103 ( -0.018 -6.776 -0.261) 6.781 21.234 ( -0.139 -0.166 0.198) 0.294======================= Grid point 625 (308/322) =======================q-point: (-0.38 -0.38 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.752 ( -16.559 0.000 6.620) 17.833 1.826 ( -21.352 0.000 5.050) 21.941 2.393 ( 15.653 -0.000 1.506) 15.726 2.428 ( 1.095 -0.000 -2.599) 2.820 2.667 ( 6.399 -0.000 -4.112) 7.607 2.784 ( 6.838 -0.000 1.110) 6.927 3.011 ( -31.495 0.000 -6.634) 32.187 3.405 ( -10.932 0.000 6.087) 12.512 3.518 ( -0.630 0.000 3.708) 3.761 3.780 ( -0.244 0.000 -1.978) 1.993 3.833 ( 3.141 -0.000 5.045) 5.943 4.080 ( 1.614 -0.000 4.562) 4.839 4.163 ( -3.517 0.000 0.446) 3.545 4.312 ( 2.948 -0.000 -0.419) 2.978 4.674 ( 5.721 -0.000 -8.041) 9.868 4.932 ( 16.116 -0.000 3.508) 16.493 5.034 ( -0.919 0.000 -3.176) 3.306 5.480 ( 9.077 -0.000 -2.037) 9.303 7.382 ( 4.808 -0.000 0.139) 4.810 7.401 ( -6.925 0.000 7.888) 10.497 8.180 ( 4.883 -0.000 4.453) 6.609 8.400 ( -1.876 0.000 -3.111) 3.633 8.538 ( 2.319 -0.000 -3.434) 4.144 8.911 ( -3.205 0.000 0.084) 3.206 9.745 ( -0.496 0.000 0.350) 0.607 10.177 ( -0.755 0.000 -2.955) 3.050 10.427 ( 6.152 -0.000 2.709) 6.722 10.653 ( 0.529 -0.000 -0.414) 0.672 10.664 ( 0.640 -0.000 -1.402) 1.542 10.964 ( 5.099 -0.000 2.022) 5.485 15.359 ( -5.515 0.000 6.554) 8.566 15.451 ( -6.523 0.000 -8.942) 11.068 16.649 ( -4.195 0.000 -0.683) 4.250 16.971 ( -10.394 0.000 -8.798) 13.618 19.463 ( 0.020 -0.000 0.064) 0.067 19.679 ( 0.065 -0.000 -0.053) 0.084======================= Grid point 626 (309/322) =======================q-point: (-0.31 -0.38 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.727 ( -14.862 -5.814 7.432) 17.604 1.884 ( -19.671 -15.021 5.218) 25.295 2.487 ( 6.520 -5.151 0.146) 8.311 2.540 ( 5.471 -6.805 -2.975) 9.225 2.829 ( -2.804 -8.443 -2.893) 9.355 2.868 ( -12.809 -9.921 -3.779) 16.637 2.937 ( -3.099 -8.832 -0.814) 9.395 3.379 ( -9.112 -4.832 4.332) 11.187 3.586 ( 0.268 -3.913 1.943) 4.377 3.844 ( -5.169 -4.701 2.961) 7.588 4.060 ( 5.022 -15.792 1.480) 16.637 4.130 ( -1.166 -2.093 8.012) 8.363 4.267 ( 1.668 -11.950 -2.161) 12.258 4.388 ( -1.574 -12.927 -1.664) 13.128 4.721 ( 6.517 -2.233 -6.815) 9.690 5.007 ( 2.487 -0.580 -3.977) 4.727 5.070 ( 15.583 -1.956 4.975) 16.474 5.510 ( 9.421 0.872 -3.032) 9.936 7.180 ( -3.370 16.226 6.164) 17.682 7.345 ( 5.801 10.440 -2.271) 12.158 8.033 ( -3.506 17.091 0.711) 17.461 8.250 ( 2.237 5.012 3.421) 6.467 8.501 ( 2.524 4.583 -2.583) 5.835 9.077 ( -4.359 -13.127 -0.281) 13.835 9.835 ( -0.683 -4.769 -2.103) 5.256 10.163 ( -2.235 0.788 -1.596) 2.857 10.311 ( 5.228 10.113 1.204) 11.448 10.641 ( -2.913 0.998 -4.902) 5.788 10.815 ( 4.448 -10.531 1.967) 11.600 10.983 ( 8.814 1.342 5.303) 10.373 15.230 ( -12.888 9.689 -5.199) 16.941 15.316 ( -6.620 5.468 1.569) 8.728 16.563 ( -7.672 7.696 -1.591) 10.983 16.652 ( -9.721 15.710 -2.223) 18.607 19.675 ( 0.489 -19.421 0.924) 19.449 20.048 ( 3.345 -30.721 -4.488) 31.227======================= Grid point 627 (310/322) =======================q-point: (-0.23 -0.38 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.806 ( -12.959 -8.357 6.626) 16.783 2.100 ( -17.165 -15.613 4.907) 23.717 2.631 ( 3.402 -5.104 -0.739) 6.178 2.737 ( 1.877 -12.226 -3.894) 12.968 2.915 ( -17.972 -13.263 -3.250) 22.571 3.084 ( 3.738 -9.657 -1.270) 10.433 3.164 ( 2.640 -11.479 -0.654) 11.797 3.508 ( -5.799 -10.038 0.381) 11.599 3.611 ( -0.503 -0.294 -0.125) 0.596 3.924 ( -5.900 -6.220 2.584) 8.954 4.139 ( -2.404 -1.593 7.529) 8.062 4.294 ( -2.126 -5.653 -0.595) 6.069 4.512 ( 12.282 -5.587 1.420) 13.568 4.778 ( 0.393 -11.027 4.249) 11.824 4.831 ( 0.576 -8.642 -6.033) 10.555 5.166 ( 6.258 -23.118 -5.145) 24.497 5.255 ( 7.628 -6.729 1.815) 10.332 5.688 ( 12.703 -18.864 -2.421) 22.871 6.767 ( 3.832 25.408 3.410) 25.921 7.089 ( 7.412 16.977 -2.629) 18.710 7.710 ( -9.765 11.492 2.660) 15.313 8.181 ( -1.113 3.457 3.827) 5.276 8.386 ( 3.471 8.430 -2.019) 9.338 9.285 ( -5.005 -9.861 -1.321) 11.137 9.795 ( -0.405 6.980 -4.050) 8.080 9.957 ( 1.832 16.502 1.373) 16.660 10.302 ( -2.289 -2.155 0.335) 3.162 10.552 ( -4.416 4.323 -5.469) 8.253 11.040 ( 10.687 -7.255 7.455) 14.914 11.147 ( 4.560 -14.777 -0.095) 15.465 14.941 ( -16.547 7.439 -5.775) 19.040 15.164 ( -7.401 6.246 4.156) 10.538 16.240 ( -8.648 11.222 -0.013) 14.168 16.474 ( -4.023 5.369 0.043) 6.709 20.132 ( 0.774 -24.432 2.356) 24.558 20.653 ( 5.568 -25.768 -7.316) 27.359======================= Grid point 628 (311/322) =======================q-point: (-0.15 -0.38 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.876 ( -11.806 -3.928 4.324) 13.172 2.292 ( -14.998 -12.959 3.784) 20.179 2.726 ( -0.558 -4.084 -1.194) 4.292 2.997 ( 3.528 -12.114 -2.268) 12.819 3.107 ( -10.170 -13.959 -2.003) 17.387 3.254 ( 2.495 -5.194 -0.130) 5.764 3.365 ( -0.691 -8.341 -1.543) 8.511 3.523 ( 4.643 1.592 -4.251) 6.493 3.779 ( -10.062 -14.891 -1.965) 18.079 4.023 ( -4.757 -6.519 2.875) 8.567 4.163 ( -1.936 -0.410 6.101) 6.414 4.391 ( -2.636 -6.189 -0.100) 6.727 4.549 ( 12.378 5.942 0.503) 13.740 4.824 ( 0.104 0.764 4.787) 4.848 5.035 ( 9.108 -7.925 -0.918) 12.108 5.372 ( 3.485 -4.672 -1.938) 6.142 5.833 ( 0.392 -33.459 -1.725) 33.506 6.322 ( 7.413 5.711 -1.848) 9.539 6.355 ( 15.850 -19.152 1.029) 24.882 6.823 ( 5.140 12.299 -0.265) 13.333 7.446 ( -12.347 9.859 2.322) 15.970 8.124 ( -7.189 0.802 1.885) 7.476 8.225 ( 5.769 9.342 -0.622) 10.998 9.359 ( -5.361 -0.589 -3.040) 6.191 9.590 ( -0.176 12.541 0.530) 12.554 9.677 ( 2.703 12.108 -0.811) 12.433 10.205 ( -1.610 9.815 -0.771) 9.976 10.475 ( -3.818 0.607 -1.121) 4.025 11.304 ( 6.262 -13.134 3.560) 14.979 11.531 ( 5.325 -20.597 -1.133) 21.304 14.765 ( -13.136 1.274 -4.024) 13.798 15.021 ( -7.532 4.128 3.794) 9.390 16.063 ( -5.363 3.507 0.410) 6.421 16.359 ( -3.445 4.018 0.047) 5.293 20.583 ( 0.605 -20.045 1.941) 20.147 21.045 ( 3.677 -12.742 -4.865) 14.126======================= Grid point 629 (312/322) =======================q-point: (-0.08 -0.38 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.795 ( -10.651 6.410 1.742) 12.553 2.445 ( -10.645 -9.741 2.061) 14.576 2.770 ( -0.707 -0.509 0.258) 0.908 3.182 ( 2.556 -3.172 0.487) 4.103 3.286 ( -7.933 -9.675 1.251) 12.574 3.371 ( 4.164 -8.468 -4.556) 10.479 3.481 ( -3.893 -5.870 -2.762) 7.566 3.600 ( 5.715 -5.495 -2.571) 8.335 3.969 ( -9.650 -10.364 -3.932) 14.697 4.102 ( -7.850 -2.579 1.841) 8.466 4.164 ( 1.772 -1.348 3.950) 4.534 4.477 ( 1.490 -1.547 2.902) 3.611 4.497 ( 7.624 4.661 -0.455) 8.947 4.850 ( 2.040 -2.734 4.532) 5.672 5.216 ( 7.911 -5.018 0.461) 9.380 5.486 ( 1.085 -5.806 -1.749) 6.160 6.042 ( 15.551 11.459 0.813) 19.334 6.297 ( 1.226 -4.920 -0.720) 5.122 6.729 ( 2.081 -6.660 0.575) 7.001 7.042 ( 6.855 -16.633 0.159) 17.991 7.238 ( -10.343 -4.653 -0.521) 11.353 7.996 ( -4.445 7.801 -0.919) 9.026 8.184 ( -0.693 -2.988 1.588) 3.454 9.253 ( -2.920 6.923 -3.616) 8.339 9.381 ( -0.281 8.490 2.552) 8.870 9.488 ( 1.888 9.242 0.084) 9.434 9.992 ( -0.951 9.364 -1.458) 9.524 10.448 ( -1.602 0.392 0.447) 1.709 11.605 ( 0.810 -14.543 1.223) 14.617 11.966 ( 6.902 -19.338 -2.468) 20.680 14.704 ( -8.575 -1.609 -3.623) 9.447 14.935 ( -5.793 1.352 3.734) 7.024 16.014 ( -4.598 -0.798 0.261) 4.674 16.282 ( -2.424 2.122 0.096) 3.223 20.911 ( 0.222 -13.012 0.562) 13.026 21.205 ( 1.178 -3.635 -1.548) 4.123======================= Grid point 639 (313/322) =======================q-point: (-0.31 -0.31 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.588 ( -22.383 0.000 6.552) 23.322 1.602 ( -13.239 0.000 9.501) 16.296 2.392 ( -3.965 0.000 -4.148) 5.738 2.516 ( -15.317 0.000 -5.834) 16.390 2.620 ( -11.576 0.000 3.926) 12.224 2.751 ( 8.466 -0.000 -2.260) 8.762 2.868 ( 7.016 -0.000 0.082) 7.017 3.299 ( -10.233 0.000 5.462) 11.599 3.523 ( -0.399 0.000 3.279) 3.303 3.770 ( -0.433 0.000 -1.422) 1.486 3.884 ( 1.274 -0.000 0.934) 1.580 4.114 ( -2.504 0.000 7.316) 7.733 4.147 ( 4.829 -0.000 -1.296) 5.000 4.277 ( -5.580 0.000 -4.777) 7.345 4.744 ( 9.227 -0.000 -4.803) 10.403 5.031 ( 5.249 -0.000 -1.259) 5.398 5.153 ( 14.860 -0.000 5.460) 15.831 5.577 ( 9.118 -0.000 -4.788) 10.299 7.319 ( -9.581 0.000 3.667) 10.258 7.453 ( 7.173 -0.000 -0.112) 7.174 8.260 ( 6.510 -0.000 0.409) 6.522 8.369 ( -1.055 0.000 -2.751) 2.946 8.561 ( 1.449 -0.000 2.173) 2.612 8.863 ( -5.040 0.000 0.145) 5.042 9.741 ( -0.418 0.000 0.708) 0.822 10.151 ( -1.653 0.000 -4.818) 5.094 10.508 ( 4.734 -0.000 0.563) 4.767 10.658 ( 0.592 -0.000 -0.619) 0.857 10.665 ( 3.207 -0.000 -4.904) 5.859 11.083 ( 12.379 -0.000 9.489) 15.597 15.247 ( -16.811 0.000 -10.207) 19.667 15.339 ( -7.529 0.000 2.806) 8.035 16.585 ( -6.769 0.000 -0.073) 6.769 16.778 ( -17.393 0.000 -7.379) 18.894 19.463 ( 0.035 -0.000 0.063) 0.071 19.679 ( 0.083 -0.000 -0.059) 0.102======================= Grid point 640 (314/322) =======================q-point: (-0.23 -0.31 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.602 ( -11.357 -6.005 10.367) 16.508 1.674 ( -19.319 -16.659 6.296) 26.276 2.420 ( -32.461 -10.024 -5.489) 34.414 2.485 ( -2.155 -10.804 -3.176) 11.466 2.680 ( 5.560 -3.488 2.327) 6.964 2.910 ( 6.148 -9.811 -1.674) 11.699 2.991 ( 5.476 -7.790 -0.188) 9.524 3.291 ( -8.407 -5.159 3.819) 10.577 3.604 ( 1.309 -4.740 1.768) 5.226 3.786 ( -5.686 -3.700 0.658) 6.816 4.084 ( -1.423 -7.748 1.593) 8.037 4.154 ( 0.581 -8.223 2.365) 8.576 4.293 ( 1.945 -12.198 -4.378) 13.105 4.340 ( -0.843 -15.983 0.496) 16.013 4.796 ( 9.331 -0.305 -3.340) 9.916 5.058 ( 6.734 0.116 0.062) 6.735 5.254 ( 12.061 -1.479 3.896) 12.761 5.605 ( 8.986 -0.047 -4.712) 10.146 7.142 ( -5.276 12.417 3.405) 13.915 7.418 ( 7.819 9.129 -2.118) 12.205 8.006 ( -0.902 21.963 -1.635) 22.042 8.285 ( 1.334 5.550 3.804) 6.860 8.525 ( 2.042 4.177 0.872) 4.730 9.018 ( -5.519 -13.083 -0.235) 14.201 9.818 ( -1.081 -3.990 -2.144) 4.657 10.127 ( -2.914 0.364 -3.531) 4.592 10.376 ( 5.255 12.547 0.549) 13.614 10.566 ( -6.372 1.140 -6.575) 9.227 10.884 ( 6.900 -10.578 -0.454) 12.637 11.147 ( 14.398 2.311 11.099) 18.326 14.991 ( -22.675 9.513 -11.039) 26.954 15.245 ( -8.352 5.284 5.711) 11.415 16.424 ( -14.400 12.458 -1.116) 19.074 16.552 ( -6.961 5.860 -0.346) 9.106 19.685 ( 0.670 -19.995 1.175) 20.040 20.073 ( 3.739 -32.456 -6.227) 33.259======================= Grid point 641 (315/322) =======================q-point: (-0.15 -0.31 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.700 ( -9.258 -7.671 8.554) 14.756 1.916 ( -17.229 -16.376 5.994) 24.514 2.522 ( -18.363 -14.635 -6.598) 24.391 2.739 ( 0.796 -15.194 -2.032) 15.350 2.810 ( 0.194 -8.056 0.440) 8.070 3.122 ( 2.758 -8.823 -0.882) 9.286 3.192 ( 2.186 -9.516 -0.849) 9.800 3.418 ( -9.362 -11.887 1.065) 15.168 3.630 ( 2.468 2.731 -0.877) 3.784 3.858 ( -5.972 -6.935 0.526) 9.167 4.152 ( 0.962 -1.834 6.555) 6.875 4.256 ( -2.339 -4.967 -2.985) 6.249 4.673 ( 8.604 -13.312 1.725) 15.944 4.698 ( -2.230 -7.656 1.736) 8.161 4.926 ( 8.921 -11.286 -0.200) 14.387 5.199 ( 1.679 -18.544 -1.873) 18.714 5.341 ( 6.775 -2.117 -1.773) 7.316 5.827 ( 11.868 -20.529 -2.430) 23.837 6.821 ( 3.961 19.460 2.582) 20.026 7.180 ( 9.461 18.298 -2.762) 20.783 7.617 ( -7.223 14.687 1.879) 16.475 8.160 ( -4.394 6.088 2.931) 8.060 8.428 ( 4.182 7.555 1.122) 8.708 9.220 ( -5.243 -9.550 -1.550) 11.004 9.775 ( -0.875 6.521 -4.131) 7.769 9.971 ( -0.010 14.600 0.005) 14.600 10.280 ( -1.697 -0.879 0.133) 1.916 10.471 ( -6.129 3.846 -5.646) 9.178 11.150 ( 5.224 -12.813 1.452) 13.913 11.254 ( 11.856 -5.790 6.729) 14.811 14.717 ( -17.821 3.732 -4.528) 18.762 15.078 ( -9.710 6.182 3.726) 12.099 16.139 ( -8.466 8.052 0.428) 11.692 16.422 ( -4.776 4.707 0.077) 6.706 20.150 ( 0.880 -24.423 2.906) 24.611 20.693 ( 5.732 -25.666 -9.278) 27.887======================= Grid point 642 (316/322) =======================q-point: (-0.08 -0.31 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.773 ( -8.316 -2.652 4.997) 10.058 2.136 ( -13.612 -14.782 4.401) 20.571 2.681 ( -5.626 -8.505 -3.276) 10.711 2.986 ( -4.000 -11.410 -2.411) 12.329 3.049 ( 1.447 -14.295 -0.581) 14.380 3.265 ( -0.768 -4.898 -1.507) 5.181 3.356 ( -0.006 -6.564 -1.221) 6.677 3.558 ( 2.479 -1.681 -3.315) 4.468 3.650 ( -10.456 -11.679 -1.266) 15.727 3.982 ( -2.613 -7.354 1.844) 8.019 4.178 ( 1.128 0.658 5.146) 5.309 4.358 ( -2.410 -6.641 -0.955) 7.129 4.681 ( 8.112 5.763 2.248) 10.201 4.840 ( 1.952 -1.974 4.027) 4.891 5.145 ( 8.746 -6.875 0.570) 11.140 5.390 ( 0.883 -4.218 -1.671) 4.622 5.830 ( -0.024 -33.035 -2.118) 33.103 6.394 ( 6.484 -10.177 -3.226) 12.491 6.562 ( 17.810 -5.412 2.285) 18.754 6.887 ( 6.256 13.985 -0.583) 15.332 7.316 ( -10.755 11.701 1.385) 15.953 8.026 ( -10.179 3.604 1.313) 10.878 8.299 ( 6.561 8.288 1.606) 10.693 9.287 ( -5.397 -0.597 -3.118) 6.262 9.584 ( -0.873 11.092 0.295) 11.130 9.699 ( 1.577 12.037 -1.729) 12.262 10.187 ( -1.164 9.822 -0.701) 9.916 10.413 ( -5.810 -2.194 -1.562) 6.404 11.391 ( 6.312 -9.244 4.368) 12.016 11.592 ( 5.634 -20.697 -1.398) 21.495 14.615 ( -10.188 -1.247 -2.321) 10.523 14.937 ( -8.590 2.839 2.605) 9.415 16.002 ( -5.146 2.603 0.278) 5.773 16.317 ( -3.640 3.344 0.216) 4.948 20.596 ( 0.479 -19.574 2.257) 19.710 21.071 ( 3.532 -11.849 -5.661) 13.599======================= Grid point 653 (317/322) =======================q-point: (-0.23 -0.23 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.355 ( -21.265 0.000 7.838) 22.663 1.504 ( -10.387 0.000 13.121) 16.735 2.090 ( -37.509 0.000 -0.823) 37.518 2.328 ( -4.307 0.000 -5.084) 6.664 2.704 ( 6.599 -0.000 2.504) 7.058 2.834 ( 6.346 -0.000 -0.432) 6.361 2.944 ( 6.214 -0.000 -0.993) 6.293 3.205 ( -8.305 0.000 4.297) 9.351 3.529 ( -0.230 0.000 2.745) 2.754 3.762 ( -0.418 0.000 -0.957) 1.045 3.835 ( -8.559 0.000 -5.260) 10.046 4.089 ( -3.117 0.000 4.146) 5.187 4.181 ( -1.135 0.000 -6.899) 6.991 4.271 ( 9.218 -0.000 2.219) 9.482 4.854 ( 11.366 -0.000 -1.742) 11.499 5.104 ( 5.690 -0.000 3.246) 6.550 5.314 ( 10.039 -0.000 3.736) 10.711 5.658 ( 7.626 -0.000 -6.300) 9.892 7.219 ( -8.499 0.000 2.541) 8.871 7.543 ( 8.362 -0.000 -0.269) 8.367 8.303 ( 3.153 -0.000 -9.031) 9.566 8.376 ( 1.768 -0.000 3.030) 3.508 8.583 ( 0.407 -0.000 5.609) 5.624 8.797 ( -6.259 0.000 0.164) 6.261 9.740 ( -0.189 0.000 0.956) 0.975 10.105 ( -3.138 0.000 -7.238) 7.888 10.489 ( -5.786 0.000 -4.033) 7.053 10.663 ( 0.523 -0.000 -0.748) 0.913 10.757 ( 13.636 -0.000 -3.272) 14.023 11.302 ( 18.433 -0.000 12.234) 22.124 14.933 ( -28.465 0.000 -15.625) 32.472 15.262 ( -9.544 0.000 7.087) 11.888 16.465 ( -15.696 0.000 -0.534) 15.705 16.576 ( -11.459 0.000 -2.306) 11.689 19.464 ( 0.037 -0.000 0.061) 0.072 19.680 ( 0.085 -0.000 -0.062) 0.105======================= Grid point 654 (318/322) =======================q-point: (-0.15 -0.23 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.481 ( -17.344 -18.045 7.451) 26.115 1.527 ( -8.761 -6.498 13.676) 17.493 2.030 ( -29.431 -14.783 -2.198) 33.008 2.446 ( -2.312 -13.224 -3.669) 13.917 2.746 ( 3.063 -1.837 1.141) 3.749 2.966 ( 3.692 -8.331 -0.207) 9.114 3.040 ( 2.857 -6.231 -1.042) 6.933 3.209 ( -6.759 -4.638 2.458) 8.558 3.624 ( 1.177 -5.479 1.832) 5.896 3.712 ( -6.430 -3.036 -3.404) 7.883 4.051 ( -3.353 -12.476 -0.229) 12.921 4.154 ( 0.430 -7.398 -2.198) 7.730 4.273 ( -0.771 -13.936 -0.819) 13.982 4.406 ( 7.337 -11.918 0.641) 14.010 4.913 ( 11.308 0.550 -1.235) 11.389 5.134 ( 4.742 0.224 3.965) 6.185 5.371 ( 7.416 0.157 0.983) 7.482 5.682 ( 6.128 -1.781 -4.491) 7.804 7.094 ( -4.110 8.604 2.963) 9.985 7.507 ( 8.074 8.869 -1.371) 12.072 8.000 ( 1.117 23.713 -3.094) 23.940 8.295 ( -1.551 7.880 1.994) 8.275 8.557 ( 2.303 3.325 3.628) 5.434 8.953 ( -5.332 -13.404 -0.137) 14.426 9.799 ( -1.077 -2.852 -1.695) 3.488 10.068 ( -4.886 0.124 -5.967) 7.713 10.426 ( 1.390 9.999 0.212) 10.098 10.467 ( -5.315 4.555 -5.762) 9.066 10.973 ( 8.992 -8.381 -1.310) 12.362 11.360 ( 14.774 4.549 10.973) 18.957 14.675 ( -24.266 4.576 -7.313) 25.754 15.148 ( -11.689 5.839 5.404) 14.139 16.254 ( -13.768 8.946 0.579) 16.429 16.477 ( -5.897 3.685 -0.234) 6.957 19.697 ( 0.658 -20.704 1.492) 20.768 20.094 ( 3.500 -34.003 -7.725) 35.045======================= Grid point 655 (319/322) =======================q-point: (-0.08 -0.23 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.643 ( -6.182 -7.791 10.153) 14.212 1.751 ( -13.809 -15.929 7.370) 22.333 2.290 ( -15.949 -22.667 -6.197) 28.400 2.744 ( 1.170 -16.817 -2.109) 16.989 2.827 ( 1.038 -5.166 0.524) 5.295 3.134 ( -1.246 -7.278 -1.313) 7.500 3.190 ( -2.798 -9.077 -0.613) 9.518 3.318 ( -6.186 -9.768 0.242) 11.565 3.654 ( 2.156 2.697 -0.671) 3.517 3.798 ( -3.886 -8.801 -1.680) 9.766 4.191 ( 1.782 -3.953 4.658) 6.364 4.242 ( 1.877 -2.217 -1.678) 3.355 4.617 ( -5.159 -15.114 0.224) 15.972 4.837 ( 10.016 -11.479 2.654) 15.463 5.017 ( 6.924 -13.310 0.060) 15.004 5.202 ( 0.321 -8.666 0.578) 8.691 5.399 ( 4.174 -2.210 -2.607) 5.394 5.930 ( 6.715 -21.709 -2.973) 22.917 6.878 ( 4.509 12.942 3.152) 14.062 7.284 ( 9.250 18.157 -2.280) 20.504 7.559 ( -3.476 19.068 0.902) 19.404 8.099 ( -7.173 8.718 1.984) 11.463 8.488 ( 4.883 6.369 2.708) 8.471 9.157 ( -4.454 -9.038 -1.748) 10.226 9.751 ( -1.228 6.173 -3.095) 7.014 9.951 ( -2.995 10.913 -1.655) 11.436 10.261 ( -1.473 1.355 -0.406) 2.043 10.387 ( -5.047 3.690 -4.239) 7.553 11.205 ( 4.305 -13.258 0.311) 13.943 11.410 ( 9.968 -1.757 6.987) 12.299 14.532 ( -11.393 -0.662 -0.777) 11.438 14.962 ( -11.685 5.396 1.947) 13.017 16.052 ( -6.623 5.571 0.548) 8.672 16.369 ( -4.250 4.055 0.001) 5.874 20.169 ( 0.632 -24.357 3.474) 24.611 20.724 ( 4.883 -25.739 -10.685) 28.293======================= Grid point 667 (320/322) =======================q-point: (-0.15 -0.15 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.154 ( -17.400 0.000 8.685) 19.447 1.397 ( -19.399 0.000 14.875) 24.445 1.747 ( -17.642 0.000 4.742) 18.268 2.266 ( -3.307 0.000 -5.422) 6.352 2.733 ( -3.269 0.000 0.514) 3.309 2.894 ( 3.922 -0.000 0.824) 4.007 3.003 ( 4.485 -0.000 -1.567) 4.751 3.147 ( -2.946 0.000 3.676) 4.711 3.534 ( -0.206 0.000 2.258) 2.267 3.689 ( -10.752 0.000 -8.748) 13.861 3.755 ( -0.173 0.000 -0.713) 0.734 4.075 ( -1.211 0.000 2.074) 2.402 4.166 ( 1.957 -0.000 -4.131) 4.571 4.391 ( 8.322 -0.000 0.093) 8.322 4.979 ( 9.939 -0.000 -1.049) 9.994 5.174 ( 4.350 -0.000 6.272) 7.632 5.419 ( 7.132 -0.000 1.822) 7.361 5.702 ( 2.758 -0.000 -6.170) 6.759 7.150 ( -4.762 0.000 3.512) 5.918 7.638 ( 7.783 -0.000 -0.288) 7.788 8.305 ( 2.578 -0.000 -8.674) 9.049 8.390 ( -1.375 0.000 1.374) 1.944 8.609 ( 1.099 -0.000 6.162) 6.260 8.724 ( -6.196 0.000 0.144) 6.198 9.743 ( 0.059 -0.000 1.018) 1.020 10.025 ( -6.492 0.000 -9.451) 11.466 10.392 ( -7.666 0.000 -3.510) 8.432 10.665 ( 0.353 -0.000 -0.770) 0.847 10.927 ( 16.404 -0.000 -2.405) 16.579 11.540 ( 14.350 -0.000 6.699) 15.837 14.562 ( -24.565 0.000 -6.136) 25.320 15.149 ( -14.027 0.000 6.430) 15.431 16.266 ( -15.989 0.000 1.194) 16.033 16.480 ( -6.016 0.000 -0.625) 6.048 19.464 ( 0.028 -0.000 0.060) 0.067 19.681 ( 0.071 -0.000 -0.062) 0.094======================= Grid point 668 (321/322) =======================q-point: (-0.08 -0.15 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.323 ( -13.795 -16.296 8.701) 23.056 1.459 ( -11.544 -16.195 13.629) 24.110 1.784 ( -10.678 -11.735 1.231) 15.913 2.415 ( -0.957 -15.302 -3.231) 15.669 2.737 ( -5.241 -3.709 -1.090) 6.512 2.981 ( -0.976 -5.660 0.093) 5.744 3.054 ( 1.224 -3.575 -0.606) 3.827 3.174 ( -0.588 -3.671 1.506) 4.011 3.621 ( -5.523 -4.102 -5.343) 8.711 3.645 ( 0.774 -6.478 1.326) 6.657 4.035 ( 0.897 -16.869 0.118) 16.894 4.155 ( 0.292 -8.929 -1.601) 9.076 4.275 ( 1.463 -11.255 -0.142) 11.351 4.467 ( 1.907 -8.733 -1.872) 9.133 5.027 ( 8.177 0.403 -0.419) 8.198 5.205 ( 5.746 0.612 5.418) 7.921 5.445 ( 5.383 2.155 -0.115) 5.799 5.704 ( -0.247 -3.736 -4.118) 5.566 7.073 ( -1.419 6.047 4.194) 7.494 7.587 ( 5.869 9.221 -0.730) 10.954 8.013 ( 2.493 23.508 -2.731) 23.797 8.259 ( -4.913 9.546 0.430) 10.745 8.599 ( 2.847 2.473 3.774) 5.335 8.900 ( -3.435 -13.944 -0.279) 14.363 9.783 ( -1.030 -1.618 -0.796) 2.077 9.972 ( -7.841 -0.554 -7.362) 10.770 10.360 ( -5.827 -1.400 -2.074) 6.342 10.470 ( 2.102 15.185 -1.186) 15.375 11.082 ( 9.809 -4.268 -0.762) 10.724 11.517 ( 6.191 5.523 6.292) 10.412 14.456 ( -8.895 -0.751 1.451) 9.044 15.004 ( -15.438 5.669 3.082) 16.732 16.122 ( -9.089 5.314 1.135) 10.590 16.416 ( -4.307 2.982 -0.323) 5.248 19.709 ( 0.398 -21.411 1.791) 21.489 20.104 ( 2.683 -34.919 -8.501) 36.039======================= Grid point 681 (322/322) =======================q-point: (-0.08 -0.08 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.019 ( -9.907 0.000 8.516) 13.064 1.174 ( -19.998 0.000 11.485) 23.061 1.710 ( 1.767 -0.000 12.152) 12.280 2.220 ( -1.679 0.000 -5.223) 5.486 2.642 ( -9.638 0.000 -3.665) 10.312 2.931 ( 1.813 -0.000 1.501) 2.354 3.036 ( 2.116 -0.000 -1.603) 2.655 3.160 ( 1.985 -0.000 3.901) 4.377 3.538 ( -0.364 0.000 1.964) 1.998 3.560 ( -6.774 0.000 -6.950) 9.705 3.754 ( 0.267 -0.000 -0.776) 0.821 4.068 ( -0.944 0.000 1.336) 1.636 4.202 ( 6.073 -0.000 -2.670) 6.634 4.423 ( -2.910 0.000 -2.775) 4.021 5.073 ( 6.953 -0.000 1.152) 7.047 5.255 ( 6.124 -0.000 4.241) 7.450 5.496 ( 4.990 -0.000 1.291) 5.154 5.681 ( -2.711 0.000 -5.538) 6.165 7.128 ( -1.893 0.000 5.064) 5.406 7.713 ( 4.799 -0.000 -0.143) 4.801 8.313 ( 2.470 -0.000 -7.365) 7.768 8.352 ( -5.424 0.000 3.213) 6.304 8.646 ( 2.730 -0.000 3.015) 4.067 8.663 ( -4.056 0.000 0.082) 4.057 9.747 ( 0.215 -0.000 0.859) 0.885 9.899 ( -9.532 0.000 -7.878) 12.366 10.312 ( -4.237 0.000 -1.719) 4.572 10.666 ( 0.131 -0.000 -0.673) 0.686 11.111 ( 15.520 -0.000 -0.815) 15.541 11.611 ( -4.354 0.000 -0.760) 4.420 14.438 ( 5.678 -0.000 5.287) 7.759 14.973 ( -18.573 0.000 3.232) 18.852 16.128 ( -8.137 0.000 1.642) 8.301 16.423 ( -3.482 0.000 -0.487) 3.516 19.465 ( 0.008 -0.000 0.061) 0.061 19.681 ( 0.043 -0.000 -0.059) 0.073=================== 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 3/42588 10.0 2733.723 892.863 755.486 -0.000 395.840 -0.000 3/42588 20.0 472.675 242.715 143.574 0.000 40.443 -0.000 3/42588 30.0 136.905 82.454 40.241 0.000 7.991 -0.000 3/42588 40.0 64.952 42.192 17.976 0.000 3.059 -0.000 3/42588 50.0 39.761 27.132 10.556 0.000 1.706 -0.000 3/42588 60.0 27.952 19.768 7.233 0.000 1.164 -0.000 3/42588 70.0 21.334 15.499 5.434 0.000 0.886 -0.000 3/42588 80.0 17.171 12.737 4.332 0.000 0.718 -0.000 3/42588 90.0 14.338 10.812 3.596 0.000 0.606 -0.000 3/42588 100.0 12.298 9.401 3.073 0.000 0.526 -0.000 3/42588 110.0 10.767 8.327 2.685 0.000 0.466 -0.000 3/42588 120.0 9.579 7.486 2.386 0.000 0.418 -0.000 3/42588 130.0 8.632 6.812 2.150 0.000 0.380 -0.000 3/42588 140.0 7.862 6.263 1.959 0.000 0.349 -0.000 3/42588 150.0 7.223 5.808 1.801 0.000 0.323 -0.000 3/42588 160.0 6.685 5.426 1.669 0.000 0.301 -0.000 3/42588 170.0 6.226 5.101 1.557 0.000 0.281 -0.000 3/42588 180.0 5.830 4.822 1.460 0.000 0.264 -0.000 3/42588 190.0 5.484 4.580 1.376 0.000 0.250 -0.000 3/42588 200.0 5.179 4.367 1.302 0.000 0.236 -0.000 3/42588 210.0 4.908 4.179 1.237 0.000 0.224 -0.000 3/42588 220.0 4.666 4.011 1.179 0.000 0.214 -0.000 3/42588 230.0 4.448 3.859 1.127 0.000 0.204 -0.000 3/42588 240.0 4.251 3.722 1.079 0.000 0.195 -0.000 3/42588 250.0 4.071 3.597 1.036 0.000 0.187 -0.000 3/42588 260.0 3.907 3.482 0.997 0.000 0.180 -0.000 3/42588 270.0 3.756 3.376 0.960 0.000 0.173 -0.000 3/42588 280.0 3.617 3.277 0.927 0.000 0.166 -0.000 3/42588 290.0 3.488 3.185 0.896 0.000 0.160 -0.000 3/42588 300.0 3.368 3.099 0.867 0.000 0.155 -0.000 3/42588 310.0 3.257 3.018 0.840 0.000 0.150 -0.000 3/42588 320.0 3.153 2.942 0.815 0.000 0.145 -0.000 3/42588 330.0 3.055 2.870 0.791 0.000 0.140 -0.000 3/42588 340.0 2.964 2.802 0.769 0.000 0.136 -0.000 3/42588 350.0 2.878 2.737 0.748 0.000 0.132 -0.000 3/42588 360.0 2.797 2.675 0.729 0.000 0.128 -0.000 3/42588 370.0 2.721 2.616 0.710 0.000 0.125 -0.000 3/42588 380.0 2.649 2.560 0.692 0.000 0.121 -0.000 3/42588 390.0 2.580 2.506 0.675 0.000 0.118 -0.000 3/42588 400.0 2.515 2.455 0.659 0.000 0.115 -0.000 3/42588 410.0 2.454 2.405 0.644 0.000 0.112 -0.000 3/42588 420.0 2.395 2.358 0.630 0.000 0.109 -0.000 3/42588 430.0 2.339 2.312 0.616 0.000 0.107 -0.000 3/42588 440.0 2.286 2.268 0.602 0.000 0.104 -0.000 3/42588 450.0 2.235 2.226 0.590 0.000 0.102 -0.000 3/42588 460.0 2.187 2.185 0.578 0.000 0.100 -0.000 3/42588 470.0 2.140 2.146 0.566 0.000 0.098 -0.000 3/42588 480.0 2.095 2.108 0.555 0.000 0.095 -0.000 3/42588 490.0 2.053 2.072 0.544 0.000 0.093 -0.000 3/42588 500.0 2.012 2.036 0.534 0.000 0.092 -0.000 3/42588 510.0 1.972 2.002 0.524 0.000 0.090 -0.000 3/42588 520.0 1.934 1.969 0.514 0.000 0.088 -0.000 3/42588 530.0 1.898 1.937 0.505 0.000 0.086 -0.000 3/42588 540.0 1.863 1.906 0.496 0.000 0.085 -0.000 3/42588 550.0 1.829 1.875 0.487 0.000 0.083 -0.000 3/42588 560.0 1.797 1.846 0.479 0.000 0.082 -0.000 3/42588 570.0 1.765 1.818 0.471 0.000 0.080 -0.000 3/42588 580.0 1.735 1.790 0.463 0.000 0.079 -0.000 3/42588 590.0 1.705 1.763 0.456 0.000 0.077 -0.000 3/42588 600.0 1.677 1.738 0.448 0.000 0.076 -0.000 3/42588 610.0 1.650 1.712 0.441 0.000 0.075 -0.000 3/42588 620.0 1.623 1.688 0.434 0.000 0.074 -0.000 3/42588 630.0 1.597 1.664 0.428 0.000 0.072 -0.000 3/42588 640.0 1.573 1.641 0.421 0.000 0.071 -0.000 3/42588 650.0 1.548 1.618 0.415 0.000 0.070 -0.000 3/42588 660.0 1.525 1.596 0.409 0.000 0.069 -0.000 3/42588 670.0 1.502 1.575 0.403 0.000 0.068 -0.000 3/42588 680.0 1.480 1.554 0.397 0.000 0.067 -0.000 3/42588 690.0 1.459 1.533 0.392 0.000 0.066 -0.000 3/42588 700.0 1.438 1.513 0.387 0.000 0.065 -0.000 3/42588 710.0 1.418 1.494 0.381 0.000 0.064 -0.000 3/42588 720.0 1.398 1.475 0.376 0.000 0.063 -0.000 3/42588 730.0 1.379 1.457 0.371 0.000 0.062 -0.000 3/42588 740.0 1.361 1.439 0.366 0.000 0.061 -0.000 3/42588 750.0 1.343 1.421 0.362 0.000 0.061 -0.000 3/42588 760.0 1.325 1.404 0.357 0.000 0.060 -0.000 3/42588 770.0 1.308 1.387 0.352 0.000 0.059 -0.000 3/42588 780.0 1.291 1.371 0.348 0.000 0.058 -0.000 3/42588 790.0 1.275 1.355 0.344 0.000 0.057 -0.000 3/42588 800.0 1.259 1.339 0.340 0.000 0.057 -0.000 3/42588 810.0 1.244 1.324 0.336 0.000 0.056 -0.000 3/42588 820.0 1.229 1.309 0.332 0.000 0.055 -0.000 3/42588 830.0 1.214 1.294 0.328 0.000 0.055 -0.000 3/42588 840.0 1.199 1.280 0.324 0.000 0.054 -0.000 3/42588 850.0 1.185 1.266 0.320 0.000 0.053 -0.000 3/42588 860.0 1.172 1.252 0.317 0.000 0.053 -0.000 3/42588 870.0 1.158 1.239 0.313 0.000 0.052 -0.000 3/42588 880.0 1.145 1.226 0.310 0.000 0.052 -0.000 3/42588 890.0 1.132 1.213 0.306 0.000 0.051 -0.000 3/42588 900.0 1.120 1.200 0.303 0.000 0.050 -0.000 3/42588 910.0 1.107 1.188 0.300 0.000 0.050 -0.000 3/42588 920.0 1.095 1.176 0.296 0.000 0.049 -0.000 3/42588 930.0 1.084 1.164 0.293 0.000 0.049 -0.000 3/42588 940.0 1.072 1.152 0.290 0.000 0.048 -0.000 3/42588 950.0 1.061 1.141 0.287 0.000 0.048 -0.000 3/42588 960.0 1.050 1.130 0.284 0.000 0.047 -0.000 3/42588 970.0 1.039 1.119 0.281 0.000 0.047 -0.000 3/42588 980.0 1.029 1.108 0.279 0.000 0.046 -0.000 3/42588 990.0 1.018 1.097 0.276 0.000 0.046 -0.000 3/42588 1000.0 1.008 1.087 0.273 0.000 0.045 -0.000 3/42588Thermal conductivity related properties were written into "kappa-m13137.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 16:07:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|