----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:03:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.415049990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.951191119999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.866389050000000 Atomic positions (fractional): *1 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 3 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 4 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 *5 O 0.17021053397486 0.53043262793558 0.77685812970266 15.999 6 O 0.82978946602514 0.46956737206442 0.22314187029734 15.999 7 O 0.67021053397486 0.53043262793558 0.72314187029734 15.999 8 O 0.17021053397486 0.96956737206442 0.77685812970266 15.999 9 O 0.32978946602514 0.03043262793558 0.27685812970266 15.999 *10 O 0.40315018758621 0.25000000000000 0.77903099807873 15.999 11 O 0.32978946602514 0.46956737206442 0.27685812970266 15.999 12 O 0.82978946602514 0.03043262793558 0.22314187029734 15.999 13 O 0.59684981241379 0.75000000000000 0.22096900192127 15.999 14 O 0.90315018758621 0.25000000000000 0.72096900192127 15.999 *15 O 0.94417715300923 0.75000000000000 0.79433244445618 15.999 16 O 0.09684981241379 0.75000000000000 0.27903099807873 15.999 17 O 0.44417715300923 0.75000000000000 0.70566755554382 15.999 18 O 0.55582284699077 0.25000000000000 0.29433244445618 15.999 19 O 0.05582284699077 0.25000000000000 0.20566755554382 15.999 20 O 0.67021053397486 0.96956737206442 0.72314187029734 15.999 *21 Mg 0.77406657910959 0.75000000000000 0.00692709458898 24.305 22 Mg 0.22593342089041 0.25000000000000 0.99307290541102 24.305 23 Mg 0.27406657910959 0.75000000000000 0.49307290541102 24.305 24 Mg 0.72593342089041 0.25000000000000 0.50692709458898 24.305 *25 As 0.90663618771831 0.25000000000000 0.06618288965194 74.922 26 As 0.40663618771831 0.25000000000000 0.43381711034806 74.922 27 As 0.09336381228169 0.75000000000000 0.93381711034806 74.922 28 As 0.59336381228169 0.75000000000000 0.56618288965194 74.922 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.415049990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.951191119999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.866389050000000 Atomic positions (fractional): *1 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 2 3 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 3 4 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 4 *5 O 0.17021053397486 0.53043262793558 0.77685812970266 15.999 > 5 6 O 0.82978946602514 0.46956737206442 0.22314187029734 15.999 > 6 7 O 0.67021053397486 0.53043262793558 0.72314187029734 15.999 > 7 8 O 0.17021053397486 0.96956737206442 0.77685812970266 15.999 > 8 9 O 0.32978946602514 0.03043262793558 0.27685812970266 15.999 > 9 *10 O 0.40315018758621 0.25000000000000 0.77903099807873 15.999 > 10 11 O 0.32978946602514 0.46956737206442 0.27685812970266 15.999 > 11 12 O 0.82978946602514 0.03043262793558 0.22314187029734 15.999 > 12 13 O 0.59684981241379 0.75000000000000 0.22096900192127 15.999 > 13 14 O 0.90315018758621 0.25000000000000 0.72096900192127 15.999 > 14 *15 O 0.94417715300923 0.75000000000000 0.79433244445618 15.999 > 15 16 O 0.09684981241379 0.75000000000000 0.27903099807873 15.999 > 16 17 O 0.44417715300923 0.75000000000000 0.70566755554382 15.999 > 17 18 O 0.55582284699077 0.25000000000000 0.29433244445618 15.999 > 18 19 O 0.05582284699077 0.25000000000000 0.20566755554382 15.999 > 19 20 O 0.67021053397486 0.96956737206442 0.72314187029734 15.999 > 20 *21 Mg 0.77406657910959 0.75000000000000 0.00692709458898 24.305 > 21 22 Mg 0.22593342089041 0.25000000000000 0.99307290541102 24.305 > 22 23 Mg 0.27406657910959 0.75000000000000 0.49307290541102 24.305 > 23 24 Mg 0.72593342089041 0.25000000000000 0.50692709458898 24.305 > 24 *25 As 0.90663618771831 0.25000000000000 0.06618288965194 74.922 > 25 26 As 0.40663618771831 0.25000000000000 0.43381711034806 74.922 > 26 27 As 0.09336381228169 0.75000000000000 0.93381711034806 74.922 > 27 28 As 0.59336381228169 0.75000000000000 0.56618288965194 74.922 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.415049990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.902382239999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.732778100000001 Atomic positions (fractional): *1 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 3 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 2 6 Li 0.00000000000000 0.50000000000000 0.25000000000000 6.941 > 2 7 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 2 8 Li 0.00000000000000 0.50000000000000 0.75000000000000 6.941 > 2 9 Li 0.50000000000000 0.25000000000000 0.00000000000000 6.941 > 3 10 Li 0.50000000000000 0.75000000000000 0.00000000000000 6.941 > 3 11 Li 0.50000000000000 0.25000000000000 0.50000000000000 6.941 > 3 12 Li 0.50000000000000 0.75000000000000 0.50000000000000 6.941 > 3 13 Li 0.00000000000000 0.25000000000000 0.25000000000000 6.941 > 4 14 Li 0.00000000000000 0.75000000000000 0.25000000000000 6.941 > 4 15 Li 0.00000000000000 0.25000000000000 0.75000000000000 6.941 > 4 16 Li 0.00000000000000 0.75000000000000 0.75000000000000 6.941 > 4 *17 O 0.17021053397486 0.26521631396779 0.38842906485133 15.999 > 5 18 O 0.17021053397486 0.76521631396779 0.38842906485133 15.999 > 5 19 O 0.17021053397486 0.26521631396779 0.88842906485133 15.999 > 5 20 O 0.17021053397486 0.76521631396779 0.88842906485133 15.999 > 5 21 O 0.82978946602514 0.23478368603221 0.11157093514867 15.999 > 6 22 O 0.82978946602514 0.73478368603221 0.11157093514867 15.999 > 6 23 O 0.82978946602514 0.23478368603221 0.61157093514867 15.999 > 6 24 O 0.82978946602514 0.73478368603221 0.61157093514867 15.999 > 6 25 O 0.67021053397486 0.26521631396779 0.36157093514867 15.999 > 7 26 O 0.67021053397486 0.76521631396779 0.36157093514867 15.999 > 7 27 O 0.67021053397486 0.26521631396779 0.86157093514867 15.999 > 7 28 O 0.67021053397486 0.76521631396779 0.86157093514867 15.999 > 7 29 O 0.17021053397486 0.48478368603221 0.38842906485133 15.999 > 8 30 O 0.17021053397486 0.98478368603221 0.38842906485133 15.999 > 8 31 O 0.17021053397486 0.48478368603221 0.88842906485133 15.999 > 8 32 O 0.17021053397486 0.98478368603221 0.88842906485133 15.999 > 8 33 O 0.32978946602514 0.01521631396779 0.13842906485133 15.999 > 9 34 O 0.32978946602514 0.51521631396779 0.13842906485133 15.999 > 9 35 O 0.32978946602514 0.01521631396779 0.63842906485133 15.999 > 9 36 O 0.32978946602514 0.51521631396779 0.63842906485133 15.999 > 9 *37 O 0.40315018758621 0.12500000000000 0.38951549903937 15.999 > 10 38 O 0.40315018758621 0.62500000000000 0.38951549903937 15.999 > 10 39 O 0.40315018758621 0.12500000000000 0.88951549903937 15.999 > 10 40 O 0.40315018758621 0.62500000000000 0.88951549903937 15.999 > 10 41 O 0.32978946602514 0.23478368603221 0.13842906485133 15.999 > 11 42 O 0.32978946602514 0.73478368603221 0.13842906485133 15.999 > 11 43 O 0.32978946602514 0.23478368603221 0.63842906485133 15.999 > 11 44 O 0.32978946602514 0.73478368603221 0.63842906485133 15.999 > 11 45 O 0.82978946602514 0.01521631396779 0.11157093514867 15.999 > 12 46 O 0.82978946602514 0.51521631396779 0.11157093514867 15.999 > 12 47 O 0.82978946602514 0.01521631396779 0.61157093514867 15.999 > 12 48 O 0.82978946602514 0.51521631396779 0.61157093514867 15.999 > 12 49 O 0.59684981241379 0.37500000000000 0.11048450096063 15.999 > 13 50 O 0.59684981241379 0.87500000000000 0.11048450096063 15.999 > 13 51 O 0.59684981241379 0.37500000000000 0.61048450096063 15.999 > 13 52 O 0.59684981241379 0.87500000000000 0.61048450096063 15.999 > 13 53 O 0.90315018758621 0.12500000000000 0.36048450096063 15.999 > 14 54 O 0.90315018758621 0.62500000000000 0.36048450096063 15.999 > 14 55 O 0.90315018758621 0.12500000000000 0.86048450096063 15.999 > 14 56 O 0.90315018758621 0.62500000000000 0.86048450096063 15.999 > 14 *57 O 0.94417715300923 0.37500000000000 0.39716622222809 15.999 > 15 58 O 0.94417715300923 0.87500000000000 0.39716622222809 15.999 > 15 59 O 0.94417715300923 0.37500000000000 0.89716622222809 15.999 > 15 60 O 0.94417715300923 0.87500000000000 0.89716622222809 15.999 > 15 61 O 0.09684981241379 0.37500000000000 0.13951549903937 15.999 > 16 62 O 0.09684981241379 0.87500000000000 0.13951549903937 15.999 > 16 63 O 0.09684981241379 0.37500000000000 0.63951549903937 15.999 > 16 64 O 0.09684981241379 0.87500000000000 0.63951549903937 15.999 > 16 65 O 0.44417715300923 0.37500000000000 0.35283377777191 15.999 > 17 66 O 0.44417715300923 0.87500000000000 0.35283377777191 15.999 > 17 67 O 0.44417715300923 0.37500000000000 0.85283377777191 15.999 > 17 68 O 0.44417715300923 0.87500000000000 0.85283377777191 15.999 > 17 69 O 0.55582284699077 0.12500000000000 0.14716622222809 15.999 > 18 70 O 0.55582284699077 0.62500000000000 0.14716622222809 15.999 > 18 71 O 0.55582284699077 0.12500000000000 0.64716622222809 15.999 > 18 72 O 0.55582284699077 0.62500000000000 0.64716622222809 15.999 > 18 73 O 0.05582284699077 0.12500000000000 0.10283377777191 15.999 > 19 74 O 0.05582284699077 0.62500000000000 0.10283377777191 15.999 > 19 75 O 0.05582284699077 0.12500000000000 0.60283377777191 15.999 > 19 76 O 0.05582284699077 0.62500000000000 0.60283377777191 15.999 > 19 77 O 0.67021053397486 0.48478368603221 0.36157093514867 15.999 > 20 78 O 0.67021053397486 0.98478368603221 0.36157093514867 15.999 > 20 79 O 0.67021053397486 0.48478368603221 0.86157093514867 15.999 > 20 80 O 0.67021053397486 0.98478368603221 0.86157093514867 15.999 > 20 *81 Mg 0.77406657910959 0.37500000000000 0.00346354729449 24.305 > 21 82 Mg 0.77406657910959 0.87500000000000 0.00346354729449 24.305 > 21 83 Mg 0.77406657910959 0.37500000000000 0.50346354729449 24.305 > 21 84 Mg 0.77406657910959 0.87500000000000 0.50346354729449 24.305 > 21 85 Mg 0.22593342089041 0.12500000000000 0.49653645270551 24.305 > 22 86 Mg 0.22593342089041 0.62500000000000 0.49653645270551 24.305 > 22 87 Mg 0.22593342089041 0.12500000000000 0.99653645270551 24.305 > 22 88 Mg 0.22593342089041 0.62500000000000 0.99653645270551 24.305 > 22 89 Mg 0.27406657910959 0.37500000000000 0.24653645270551 24.305 > 23 90 Mg 0.27406657910959 0.87500000000000 0.24653645270551 24.305 > 23 91 Mg 0.27406657910959 0.37500000000000 0.74653645270551 24.305 > 23 92 Mg 0.27406657910959 0.87500000000000 0.74653645270551 24.305 > 23 93 Mg 0.72593342089041 0.12500000000000 0.25346354729449 24.305 > 24 94 Mg 0.72593342089041 0.62500000000000 0.25346354729449 24.305 > 24 95 Mg 0.72593342089041 0.12500000000000 0.75346354729449 24.305 > 24 96 Mg 0.72593342089041 0.62500000000000 0.75346354729449 24.305 > 24 *97 As 0.90663618771831 0.12500000000000 0.03309144482597 74.922 > 25 98 As 0.90663618771831 0.62500000000000 0.03309144482597 74.922 > 25 99 As 0.90663618771831 0.12500000000000 0.53309144482597 74.922 > 25 100 As 0.90663618771831 0.62500000000000 0.53309144482597 74.922 > 25 101 As 0.40663618771831 0.12500000000000 0.21690855517403 74.922 > 26 102 As 0.40663618771831 0.62500000000000 0.21690855517403 74.922 > 26 103 As 0.40663618771831 0.12500000000000 0.71690855517403 74.922 > 26 104 As 0.40663618771831 0.62500000000000 0.71690855517403 74.922 > 26 105 As 0.09336381228169 0.37500000000000 0.46690855517403 74.922 > 27 106 As 0.09336381228169 0.87500000000000 0.46690855517403 74.922 > 27 107 As 0.09336381228169 0.37500000000000 0.96690855517403 74.922 > 27 108 As 0.09336381228169 0.87500000000000 0.96690855517403 74.922 > 27 109 As 0.59336381228169 0.37500000000000 0.28309144482597 74.922 > 28 110 As 0.59336381228169 0.87500000000000 0.28309144482597 74.922 > 28 111 As 0.59336381228169 0.37500000000000 0.78309144482597 74.922 > 28 112 As 0.59336381228169 0.87500000000000 0.78309144482597 74.922 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9904932 0.0000000 0.0000000 0.0000000 2.9804782 0.0000000 0.0000000 0.0000000 3.1558987 -------------------------- Born effective charges -------------------------- 1 Li 0.8543050 -0.2395946 -0.0729822 -0.1750174 0.9988534 0.1194813 0.0777479 -0.0873009 1.2872077 2 Li 0.8543050 -0.2395946 0.0729822 -0.1750174 0.9988534 -0.1194813 -0.0777479 0.0873009 1.2872077 3 Li 0.8543050 0.2395946 -0.0729822 0.1750174 0.9988534 -0.1194813 0.0777479 0.0873009 1.2872077 4 Li 0.8543050 0.2395946 0.0729822 0.1750174 0.9988534 0.1194813 -0.0777479 -0.0873009 1.2872077 5 O -1.4888560 0.2330014 0.2154005 0.3530216 -1.8881260 -0.0999372 0.2063271 -0.0152486 -1.4791119 6 O -1.4888560 0.2330014 0.2154005 0.3530216 -1.8881260 -0.0999372 0.2063271 -0.0152486 -1.4791119 7 O -1.4888560 0.2330014 -0.2154005 0.3530216 -1.8881260 0.0999372 -0.2063271 0.0152486 -1.4791119 8 O -1.4888560 -0.2330014 0.2154005 -0.3530216 -1.8881260 0.0999372 0.2063271 0.0152486 -1.4791119 9 O -1.4888560 -0.2330014 -0.2154005 -0.3530216 -1.8881260 -0.0999372 -0.2063271 -0.0152486 -1.4791119 10 O -1.2865925 -0.0000000 0.0994030 -0.0000000 -1.2452306 0.0000000 0.1745593 0.0000000 -2.1745715 11 O -1.4888560 0.2330014 -0.2154005 0.3530216 -1.8881260 0.0999372 -0.2063271 0.0152486 -1.4791119 12 O -1.4888560 -0.2330014 0.2154005 -0.3530216 -1.8881260 0.0999372 0.2063271 0.0152486 -1.4791119 13 O -1.2865925 -0.0000000 0.0994030 -0.0000000 -1.2452306 0.0000000 0.1745593 0.0000000 -2.1745715 14 O -1.2865925 -0.0000000 -0.0994030 -0.0000000 -1.2452306 0.0000000 -0.1745593 0.0000000 -2.1745715 15 O -2.0299357 -0.0000000 -0.1355146 -0.0000000 -1.3294933 0.0000000 -0.0229288 0.0000000 -1.3240742 16 O -1.2865925 -0.0000000 -0.0994030 -0.0000000 -1.2452306 0.0000000 -0.1745593 0.0000000 -2.1745715 17 O -2.0299357 -0.0000000 0.1355146 -0.0000000 -1.3294933 0.0000000 0.0229288 0.0000000 -1.3240742 18 O -2.0299357 -0.0000000 0.1355146 -0.0000000 -1.3294933 0.0000000 0.0229288 0.0000000 -1.3240742 19 O -2.0299357 -0.0000000 -0.1355146 -0.0000000 -1.3294933 0.0000000 -0.0229288 0.0000000 -1.3240742 20 O -1.4888560 -0.2330014 -0.2154005 -0.3530216 -1.8881260 -0.0999372 -0.2063271 -0.0152486 -1.4791119 21 Mg 2.4028859 -0.0000000 0.0935399 -0.0000000 2.1031487 0.0000000 -0.1020392 0.0000000 1.9804493 22 Mg 2.4028859 -0.0000000 0.0935399 -0.0000000 2.1031487 0.0000000 -0.1020392 0.0000000 1.9804493 23 Mg 2.4028859 -0.0000000 -0.0935399 -0.0000000 2.1031487 0.0000000 0.1020392 0.0000000 1.9804493 24 Mg 2.4028859 -0.0000000 -0.0935399 -0.0000000 2.1031487 0.0000000 0.1020392 0.0000000 1.9804493 25 As 3.0370492 -0.0000000 -0.0225894 -0.0000000 3.2489737 0.0000000 -0.1046080 0.0000000 3.1892126 26 As 3.0370492 -0.0000000 0.0225894 -0.0000000 3.2489737 0.0000000 0.1046080 0.0000000 3.1892126 27 As 3.0370492 -0.0000000 -0.0225894 -0.0000000 3.2489737 0.0000000 -0.1046080 0.0000000 3.1892126 28 As 3.0370492 -0.0000000 0.0225894 -0.0000000 3.2489737 0.0000000 0.1046080 0.0000000 3.1892126 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.023 Solver_block: 200 / 480 - Time: 3.033 Solver_block: 300 / 480 - Time: 3.028 Solver_block: 400 / 480 - Time: 3.026 Solver_block: 480 / 480 - Time: 2.448 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.607 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:03:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:03:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.415049990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.951191119999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.866389050000000 Atomic positions (fractional): 1 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 3 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 4 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 5 O 0.17021053397486 0.53043262793558 0.77685812970266 15.999 6 O 0.82978946602514 0.46956737206442 0.22314187029734 15.999 7 O 0.67021053397486 0.53043262793558 0.72314187029734 15.999 8 O 0.17021053397486 0.96956737206442 0.77685812970266 15.999 9 O 0.32978946602514 0.03043262793558 0.27685812970266 15.999 10 O 0.40315018758621 0.25000000000000 0.77903099807873 15.999 11 O 0.32978946602514 0.46956737206442 0.27685812970266 15.999 12 O 0.82978946602514 0.03043262793558 0.22314187029734 15.999 13 O 0.59684981241379 0.75000000000000 0.22096900192127 15.999 14 O 0.90315018758621 0.25000000000000 0.72096900192127 15.999 15 O 0.94417715300923 0.75000000000000 0.79433244445618 15.999 16 O 0.09684981241379 0.75000000000000 0.27903099807873 15.999 17 O 0.44417715300923 0.75000000000000 0.70566755554382 15.999 18 O 0.55582284699077 0.25000000000000 0.29433244445618 15.999 19 O 0.05582284699077 0.25000000000000 0.20566755554382 15.999 20 O 0.67021053397486 0.96956737206442 0.72314187029734 15.999 21 Mg 0.77406657910959 0.75000000000000 0.00692709458898 24.305 22 Mg 0.22593342089041 0.25000000000000 0.99307290541102 24.305 23 Mg 0.27406657910959 0.75000000000000 0.49307290541102 24.305 24 Mg 0.72593342089041 0.25000000000000 0.50692709458898 24.305 25 As 0.90663618771831 0.25000000000000 0.06618288965194 74.922 26 As 0.40663618771831 0.25000000000000 0.43381711034806 74.922 27 As 0.09336381228169 0.75000000000000 0.93381711034806 74.922 28 As 0.59336381228169 0.75000000000000 0.56618288965194 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.415049990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.902382239999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.732778100000001 Atomic positions (fractional): 1 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 3 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 5 6 Li 0.00000000000000 0.50000000000000 0.25000000000000 6.941 > 5 7 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 5 8 Li 0.00000000000000 0.50000000000000 0.75000000000000 6.941 > 5 9 Li 0.50000000000000 0.25000000000000 0.00000000000000 6.941 > 9 10 Li 0.50000000000000 0.75000000000000 0.00000000000000 6.941 > 9 11 Li 0.50000000000000 0.25000000000000 0.50000000000000 6.941 > 9 12 Li 0.50000000000000 0.75000000000000 0.50000000000000 6.941 > 9 13 Li 0.00000000000000 0.25000000000000 0.25000000000000 6.941 > 13 14 Li 0.00000000000000 0.75000000000000 0.25000000000000 6.941 > 13 15 Li 0.00000000000000 0.25000000000000 0.75000000000000 6.941 > 13 16 Li 0.00000000000000 0.75000000000000 0.75000000000000 6.941 > 13 17 O 0.17021053397486 0.26521631396779 0.38842906485133 15.999 > 17 18 O 0.17021053397486 0.76521631396779 0.38842906485133 15.999 > 17 19 O 0.17021053397486 0.26521631396779 0.88842906485133 15.999 > 17 20 O 0.17021053397486 0.76521631396779 0.88842906485133 15.999 > 17 21 O 0.82978946602514 0.23478368603221 0.11157093514867 15.999 > 21 22 O 0.82978946602514 0.73478368603221 0.11157093514867 15.999 > 21 23 O 0.82978946602514 0.23478368603221 0.61157093514867 15.999 > 21 24 O 0.82978946602514 0.73478368603221 0.61157093514867 15.999 > 21 25 O 0.67021053397486 0.26521631396779 0.36157093514867 15.999 > 25 26 O 0.67021053397486 0.76521631396779 0.36157093514867 15.999 > 25 27 O 0.67021053397486 0.26521631396779 0.86157093514867 15.999 > 25 28 O 0.67021053397486 0.76521631396779 0.86157093514867 15.999 > 25 29 O 0.17021053397486 0.48478368603221 0.38842906485133 15.999 > 29 30 O 0.17021053397486 0.98478368603221 0.38842906485133 15.999 > 29 31 O 0.17021053397486 0.48478368603221 0.88842906485133 15.999 > 29 32 O 0.17021053397486 0.98478368603221 0.88842906485133 15.999 > 29 33 O 0.32978946602514 0.01521631396779 0.13842906485133 15.999 > 33 34 O 0.32978946602514 0.51521631396779 0.13842906485133 15.999 > 33 35 O 0.32978946602514 0.01521631396779 0.63842906485133 15.999 > 33 36 O 0.32978946602514 0.51521631396779 0.63842906485133 15.999 > 33 37 O 0.40315018758621 0.12500000000000 0.38951549903937 15.999 > 37 38 O 0.40315018758621 0.62500000000000 0.38951549903937 15.999 > 37 39 O 0.40315018758621 0.12500000000000 0.88951549903937 15.999 > 37 40 O 0.40315018758621 0.62500000000000 0.88951549903937 15.999 > 37 41 O 0.32978946602514 0.23478368603221 0.13842906485133 15.999 > 41 42 O 0.32978946602514 0.73478368603221 0.13842906485133 15.999 > 41 43 O 0.32978946602514 0.23478368603221 0.63842906485133 15.999 > 41 44 O 0.32978946602514 0.73478368603221 0.63842906485133 15.999 > 41 45 O 0.82978946602514 0.01521631396779 0.11157093514867 15.999 > 45 46 O 0.82978946602514 0.51521631396779 0.11157093514867 15.999 > 45 47 O 0.82978946602514 0.01521631396779 0.61157093514867 15.999 > 45 48 O 0.82978946602514 0.51521631396779 0.61157093514867 15.999 > 45 49 O 0.59684981241379 0.37500000000000 0.11048450096063 15.999 > 49 50 O 0.59684981241379 0.87500000000000 0.11048450096063 15.999 > 49 51 O 0.59684981241379 0.37500000000000 0.61048450096063 15.999 > 49 52 O 0.59684981241379 0.87500000000000 0.61048450096063 15.999 > 49 53 O 0.90315018758621 0.12500000000000 0.36048450096063 15.999 > 53 54 O 0.90315018758621 0.62500000000000 0.36048450096063 15.999 > 53 55 O 0.90315018758621 0.12500000000000 0.86048450096063 15.999 > 53 56 O 0.90315018758621 0.62500000000000 0.86048450096063 15.999 > 53 57 O 0.94417715300923 0.37500000000000 0.39716622222809 15.999 > 57 58 O 0.94417715300923 0.87500000000000 0.39716622222809 15.999 > 57 59 O 0.94417715300923 0.37500000000000 0.89716622222809 15.999 > 57 60 O 0.94417715300923 0.87500000000000 0.89716622222809 15.999 > 57 61 O 0.09684981241379 0.37500000000000 0.13951549903937 15.999 > 61 62 O 0.09684981241379 0.87500000000000 0.13951549903937 15.999 > 61 63 O 0.09684981241379 0.37500000000000 0.63951549903937 15.999 > 61 64 O 0.09684981241379 0.87500000000000 0.63951549903937 15.999 > 61 65 O 0.44417715300923 0.37500000000000 0.35283377777191 15.999 > 65 66 O 0.44417715300923 0.87500000000000 0.35283377777191 15.999 > 65 67 O 0.44417715300923 0.37500000000000 0.85283377777191 15.999 > 65 68 O 0.44417715300923 0.87500000000000 0.85283377777191 15.999 > 65 69 O 0.55582284699077 0.12500000000000 0.14716622222809 15.999 > 69 70 O 0.55582284699077 0.62500000000000 0.14716622222809 15.999 > 69 71 O 0.55582284699077 0.12500000000000 0.64716622222809 15.999 > 69 72 O 0.55582284699077 0.62500000000000 0.64716622222809 15.999 > 69 73 O 0.05582284699077 0.12500000000000 0.10283377777191 15.999 > 73 74 O 0.05582284699077 0.62500000000000 0.10283377777191 15.999 > 73 75 O 0.05582284699077 0.12500000000000 0.60283377777191 15.999 > 73 76 O 0.05582284699077 0.62500000000000 0.60283377777191 15.999 > 73 77 O 0.67021053397486 0.48478368603221 0.36157093514867 15.999 > 77 78 O 0.67021053397486 0.98478368603221 0.36157093514867 15.999 > 77 79 O 0.67021053397486 0.48478368603221 0.86157093514867 15.999 > 77 80 O 0.67021053397486 0.98478368603221 0.86157093514867 15.999 > 77 81 Mg 0.77406657910959 0.37500000000000 0.00346354729449 24.305 > 81 82 Mg 0.77406657910959 0.87500000000000 0.00346354729449 24.305 > 81 83 Mg 0.77406657910959 0.37500000000000 0.50346354729449 24.305 > 81 84 Mg 0.77406657910959 0.87500000000000 0.50346354729449 24.305 > 81 85 Mg 0.22593342089041 0.12500000000000 0.49653645270551 24.305 > 85 86 Mg 0.22593342089041 0.62500000000000 0.49653645270551 24.305 > 85 87 Mg 0.22593342089041 0.12500000000000 0.99653645270551 24.305 > 85 88 Mg 0.22593342089041 0.62500000000000 0.99653645270551 24.305 > 85 89 Mg 0.27406657910959 0.37500000000000 0.24653645270551 24.305 > 89 90 Mg 0.27406657910959 0.87500000000000 0.24653645270551 24.305 > 89 91 Mg 0.27406657910959 0.37500000000000 0.74653645270551 24.305 > 89 92 Mg 0.27406657910959 0.87500000000000 0.74653645270551 24.305 > 89 93 Mg 0.72593342089041 0.12500000000000 0.25346354729449 24.305 > 93 94 Mg 0.72593342089041 0.62500000000000 0.25346354729449 24.305 > 93 95 Mg 0.72593342089041 0.12500000000000 0.75346354729449 24.305 > 93 96 Mg 0.72593342089041 0.62500000000000 0.75346354729449 24.305 > 93 97 As 0.90663618771831 0.12500000000000 0.03309144482597 74.922 > 97 98 As 0.90663618771831 0.62500000000000 0.03309144482597 74.922 > 97 99 As 0.90663618771831 0.12500000000000 0.53309144482597 74.922 > 97 100 As 0.90663618771831 0.62500000000000 0.53309144482597 74.922 > 97 101 As 0.40663618771831 0.12500000000000 0.21690855517403 74.922 > 101 102 As 0.40663618771831 0.62500000000000 0.21690855517403 74.922 > 101 103 As 0.40663618771831 0.12500000000000 0.71690855517403 74.922 > 101 104 As 0.40663618771831 0.62500000000000 0.71690855517403 74.922 > 101 105 As 0.09336381228169 0.37500000000000 0.46690855517403 74.922 > 105 106 As 0.09336381228169 0.87500000000000 0.46690855517403 74.922 > 105 107 As 0.09336381228169 0.37500000000000 0.96690855517403 74.922 > 105 108 As 0.09336381228169 0.87500000000000 0.96690855517403 74.922 > 105 109 As 0.59336381228169 0.37500000000000 0.28309144482597 74.922 > 109 110 As 0.59336381228169 0.87500000000000 0.28309144482597 74.922 > 109 111 As 0.59336381228169 0.37500000000000 0.78309144482597 74.922 > 109 112 As 0.59336381228169 0.87500000000000 0.78309144482597 74.922 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9904932 0.0000000 0.0000000 0.0000000 2.9804782 0.0000000 0.0000000 0.0000000 3.1558987 -------------------------- Born effective charges -------------------------- 1 Li 0.8543050 -0.2395946 -0.0729822 -0.1750174 0.9988534 0.1194813 0.0777479 -0.0873009 1.2872077 2 Li 0.8543050 -0.2395946 0.0729822 -0.1750174 0.9988534 -0.1194813 -0.0777479 0.0873009 1.2872077 3 Li 0.8543050 0.2395946 -0.0729822 0.1750174 0.9988534 -0.1194813 0.0777479 0.0873009 1.2872077 4 Li 0.8543050 0.2395946 0.0729822 0.1750174 0.9988534 0.1194813 -0.0777479 -0.0873009 1.2872077 5 O -1.4888560 0.2330014 0.2154005 0.3530216 -1.8881260 -0.0999372 0.2063271 -0.0152486 -1.4791119 6 O -1.4888560 0.2330014 0.2154005 0.3530216 -1.8881260 -0.0999372 0.2063271 -0.0152486 -1.4791119 7 O -1.4888560 0.2330014 -0.2154005 0.3530216 -1.8881260 0.0999372 -0.2063271 0.0152486 -1.4791119 8 O -1.4888560 -0.2330014 0.2154005 -0.3530216 -1.8881260 0.0999372 0.2063271 0.0152486 -1.4791119 9 O -1.4888560 -0.2330014 -0.2154005 -0.3530216 -1.8881260 -0.0999372 -0.2063271 -0.0152486 -1.4791119 10 O -1.2865925 -0.0000000 0.0994030 -0.0000000 -1.2452306 0.0000000 0.1745593 0.0000000 -2.1745715 11 O -1.4888560 0.2330014 -0.2154005 0.3530216 -1.8881260 0.0999372 -0.2063271 0.0152486 -1.4791119 12 O -1.4888560 -0.2330014 0.2154005 -0.3530216 -1.8881260 0.0999372 0.2063271 0.0152486 -1.4791119 13 O -1.2865925 -0.0000000 0.0994030 -0.0000000 -1.2452306 0.0000000 0.1745593 0.0000000 -2.1745715 14 O -1.2865925 -0.0000000 -0.0994030 -0.0000000 -1.2452306 0.0000000 -0.1745593 0.0000000 -2.1745715 15 O -2.0299357 -0.0000000 -0.1355146 -0.0000000 -1.3294933 0.0000000 -0.0229288 0.0000000 -1.3240742 16 O -1.2865925 -0.0000000 -0.0994030 -0.0000000 -1.2452306 0.0000000 -0.1745593 0.0000000 -2.1745715 17 O -2.0299357 -0.0000000 0.1355146 -0.0000000 -1.3294933 0.0000000 0.0229288 0.0000000 -1.3240742 18 O -2.0299357 -0.0000000 0.1355146 -0.0000000 -1.3294933 0.0000000 0.0229288 0.0000000 -1.3240742 19 O -2.0299357 -0.0000000 -0.1355146 -0.0000000 -1.3294933 0.0000000 -0.0229288 0.0000000 -1.3240742 20 O -1.4888560 -0.2330014 -0.2154005 -0.3530216 -1.8881260 -0.0999372 -0.2063271 -0.0152486 -1.4791119 21 Mg 2.4028859 -0.0000000 0.0935399 -0.0000000 2.1031487 0.0000000 -0.1020392 0.0000000 1.9804493 22 Mg 2.4028859 -0.0000000 0.0935399 -0.0000000 2.1031487 0.0000000 -0.1020392 0.0000000 1.9804493 23 Mg 2.4028859 -0.0000000 -0.0935399 -0.0000000 2.1031487 0.0000000 0.1020392 0.0000000 1.9804493 24 Mg 2.4028859 -0.0000000 -0.0935399 -0.0000000 2.1031487 0.0000000 0.1020392 0.0000000 1.9804493 25 As 3.0370492 -0.0000000 -0.0225894 -0.0000000 3.2489737 0.0000000 -0.1046080 0.0000000 3.1892126 26 As 3.0370492 -0.0000000 0.0225894 -0.0000000 3.2489737 0.0000000 0.1046080 0.0000000 3.1892126 27 As 3.0370492 -0.0000000 -0.0225894 -0.0000000 3.2489737 0.0000000 -0.1046080 0.0000000 3.1892126 28 As 3.0370492 -0.0000000 0.0225894 -0.0000000 3.2489737 0.0000000 0.1046080 0.0000000 3.1892126 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000006 (xxx) -0.00000006 (xxx) -0.00000006 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (xy) -0.00000003 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:04:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:04:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.415049990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.951191119999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.866389050000000 Atomic positions (fractional): 1 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 3 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 4 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 5 O 0.17021053397486 0.53043262793558 0.77685812970266 15.999 6 O 0.82978946602514 0.46956737206442 0.22314187029734 15.999 7 O 0.67021053397486 0.53043262793558 0.72314187029734 15.999 8 O 0.17021053397486 0.96956737206442 0.77685812970266 15.999 9 O 0.32978946602514 0.03043262793558 0.27685812970266 15.999 10 O 0.40315018758621 0.25000000000000 0.77903099807873 15.999 11 O 0.32978946602514 0.46956737206442 0.27685812970266 15.999 12 O 0.82978946602514 0.03043262793558 0.22314187029734 15.999 13 O 0.59684981241379 0.75000000000000 0.22096900192127 15.999 14 O 0.90315018758621 0.25000000000000 0.72096900192127 15.999 15 O 0.94417715300923 0.75000000000000 0.79433244445618 15.999 16 O 0.09684981241379 0.75000000000000 0.27903099807873 15.999 17 O 0.44417715300923 0.75000000000000 0.70566755554382 15.999 18 O 0.55582284699077 0.25000000000000 0.29433244445618 15.999 19 O 0.05582284699077 0.25000000000000 0.20566755554382 15.999 20 O 0.67021053397486 0.96956737206442 0.72314187029734 15.999 21 Mg 0.77406657910959 0.75000000000000 0.00692709458898 24.305 22 Mg 0.22593342089041 0.25000000000000 0.99307290541102 24.305 23 Mg 0.27406657910959 0.75000000000000 0.49307290541102 24.305 24 Mg 0.72593342089041 0.25000000000000 0.50692709458898 24.305 25 As 0.90663618771831 0.25000000000000 0.06618288965194 74.922 26 As 0.40663618771831 0.25000000000000 0.43381711034806 74.922 27 As 0.09336381228169 0.75000000000000 0.93381711034806 74.922 28 As 0.59336381228169 0.75000000000000 0.56618288965194 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.415049990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.902382239999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.732778100000001 Atomic positions (fractional): 1 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 3 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 5 6 Li 0.00000000000000 0.50000000000000 0.25000000000000 6.941 > 5 7 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 5 8 Li 0.00000000000000 0.50000000000000 0.75000000000000 6.941 > 5 9 Li 0.50000000000000 0.25000000000000 0.00000000000000 6.941 > 9 10 Li 0.50000000000000 0.75000000000000 0.00000000000000 6.941 > 9 11 Li 0.50000000000000 0.25000000000000 0.50000000000000 6.941 > 9 12 Li 0.50000000000000 0.75000000000000 0.50000000000000 6.941 > 9 13 Li 0.00000000000000 0.25000000000000 0.25000000000000 6.941 > 13 14 Li 0.00000000000000 0.75000000000000 0.25000000000000 6.941 > 13 15 Li 0.00000000000000 0.25000000000000 0.75000000000000 6.941 > 13 16 Li 0.00000000000000 0.75000000000000 0.75000000000000 6.941 > 13 17 O 0.17021053397486 0.26521631396779 0.38842906485133 15.999 > 17 18 O 0.17021053397486 0.76521631396779 0.38842906485133 15.999 > 17 19 O 0.17021053397486 0.26521631396779 0.88842906485133 15.999 > 17 20 O 0.17021053397486 0.76521631396779 0.88842906485133 15.999 > 17 21 O 0.82978946602514 0.23478368603221 0.11157093514867 15.999 > 21 22 O 0.82978946602514 0.73478368603221 0.11157093514867 15.999 > 21 23 O 0.82978946602514 0.23478368603221 0.61157093514867 15.999 > 21 24 O 0.82978946602514 0.73478368603221 0.61157093514867 15.999 > 21 25 O 0.67021053397486 0.26521631396779 0.36157093514867 15.999 > 25 26 O 0.67021053397486 0.76521631396779 0.36157093514867 15.999 > 25 27 O 0.67021053397486 0.26521631396779 0.86157093514867 15.999 > 25 28 O 0.67021053397486 0.76521631396779 0.86157093514867 15.999 > 25 29 O 0.17021053397486 0.48478368603221 0.38842906485133 15.999 > 29 30 O 0.17021053397486 0.98478368603221 0.38842906485133 15.999 > 29 31 O 0.17021053397486 0.48478368603221 0.88842906485133 15.999 > 29 32 O 0.17021053397486 0.98478368603221 0.88842906485133 15.999 > 29 33 O 0.32978946602514 0.01521631396779 0.13842906485133 15.999 > 33 34 O 0.32978946602514 0.51521631396779 0.13842906485133 15.999 > 33 35 O 0.32978946602514 0.01521631396779 0.63842906485133 15.999 > 33 36 O 0.32978946602514 0.51521631396779 0.63842906485133 15.999 > 33 37 O 0.40315018758621 0.12500000000000 0.38951549903937 15.999 > 37 38 O 0.40315018758621 0.62500000000000 0.38951549903937 15.999 > 37 39 O 0.40315018758621 0.12500000000000 0.88951549903937 15.999 > 37 40 O 0.40315018758621 0.62500000000000 0.88951549903937 15.999 > 37 41 O 0.32978946602514 0.23478368603221 0.13842906485133 15.999 > 41 42 O 0.32978946602514 0.73478368603221 0.13842906485133 15.999 > 41 43 O 0.32978946602514 0.23478368603221 0.63842906485133 15.999 > 41 44 O 0.32978946602514 0.73478368603221 0.63842906485133 15.999 > 41 45 O 0.82978946602514 0.01521631396779 0.11157093514867 15.999 > 45 46 O 0.82978946602514 0.51521631396779 0.11157093514867 15.999 > 45 47 O 0.82978946602514 0.01521631396779 0.61157093514867 15.999 > 45 48 O 0.82978946602514 0.51521631396779 0.61157093514867 15.999 > 45 49 O 0.59684981241379 0.37500000000000 0.11048450096063 15.999 > 49 50 O 0.59684981241379 0.87500000000000 0.11048450096063 15.999 > 49 51 O 0.59684981241379 0.37500000000000 0.61048450096063 15.999 > 49 52 O 0.59684981241379 0.87500000000000 0.61048450096063 15.999 > 49 53 O 0.90315018758621 0.12500000000000 0.36048450096063 15.999 > 53 54 O 0.90315018758621 0.62500000000000 0.36048450096063 15.999 > 53 55 O 0.90315018758621 0.12500000000000 0.86048450096063 15.999 > 53 56 O 0.90315018758621 0.62500000000000 0.86048450096063 15.999 > 53 57 O 0.94417715300923 0.37500000000000 0.39716622222809 15.999 > 57 58 O 0.94417715300923 0.87500000000000 0.39716622222809 15.999 > 57 59 O 0.94417715300923 0.37500000000000 0.89716622222809 15.999 > 57 60 O 0.94417715300923 0.87500000000000 0.89716622222809 15.999 > 57 61 O 0.09684981241379 0.37500000000000 0.13951549903937 15.999 > 61 62 O 0.09684981241379 0.87500000000000 0.13951549903937 15.999 > 61 63 O 0.09684981241379 0.37500000000000 0.63951549903937 15.999 > 61 64 O 0.09684981241379 0.87500000000000 0.63951549903937 15.999 > 61 65 O 0.44417715300923 0.37500000000000 0.35283377777191 15.999 > 65 66 O 0.44417715300923 0.87500000000000 0.35283377777191 15.999 > 65 67 O 0.44417715300923 0.37500000000000 0.85283377777191 15.999 > 65 68 O 0.44417715300923 0.87500000000000 0.85283377777191 15.999 > 65 69 O 0.55582284699077 0.12500000000000 0.14716622222809 15.999 > 69 70 O 0.55582284699077 0.62500000000000 0.14716622222809 15.999 > 69 71 O 0.55582284699077 0.12500000000000 0.64716622222809 15.999 > 69 72 O 0.55582284699077 0.62500000000000 0.64716622222809 15.999 > 69 73 O 0.05582284699077 0.12500000000000 0.10283377777191 15.999 > 73 74 O 0.05582284699077 0.62500000000000 0.10283377777191 15.999 > 73 75 O 0.05582284699077 0.12500000000000 0.60283377777191 15.999 > 73 76 O 0.05582284699077 0.62500000000000 0.60283377777191 15.999 > 73 77 O 0.67021053397486 0.48478368603221 0.36157093514867 15.999 > 77 78 O 0.67021053397486 0.98478368603221 0.36157093514867 15.999 > 77 79 O 0.67021053397486 0.48478368603221 0.86157093514867 15.999 > 77 80 O 0.67021053397486 0.98478368603221 0.86157093514867 15.999 > 77 81 Mg 0.77406657910959 0.37500000000000 0.00346354729449 24.305 > 81 82 Mg 0.77406657910959 0.87500000000000 0.00346354729449 24.305 > 81 83 Mg 0.77406657910959 0.37500000000000 0.50346354729449 24.305 > 81 84 Mg 0.77406657910959 0.87500000000000 0.50346354729449 24.305 > 81 85 Mg 0.22593342089041 0.12500000000000 0.49653645270551 24.305 > 85 86 Mg 0.22593342089041 0.62500000000000 0.49653645270551 24.305 > 85 87 Mg 0.22593342089041 0.12500000000000 0.99653645270551 24.305 > 85 88 Mg 0.22593342089041 0.62500000000000 0.99653645270551 24.305 > 85 89 Mg 0.27406657910959 0.37500000000000 0.24653645270551 24.305 > 89 90 Mg 0.27406657910959 0.87500000000000 0.24653645270551 24.305 > 89 91 Mg 0.27406657910959 0.37500000000000 0.74653645270551 24.305 > 89 92 Mg 0.27406657910959 0.87500000000000 0.74653645270551 24.305 > 89 93 Mg 0.72593342089041 0.12500000000000 0.25346354729449 24.305 > 93 94 Mg 0.72593342089041 0.62500000000000 0.25346354729449 24.305 > 93 95 Mg 0.72593342089041 0.12500000000000 0.75346354729449 24.305 > 93 96 Mg 0.72593342089041 0.62500000000000 0.75346354729449 24.305 > 93 97 As 0.90663618771831 0.12500000000000 0.03309144482597 74.922 > 97 98 As 0.90663618771831 0.62500000000000 0.03309144482597 74.922 > 97 99 As 0.90663618771831 0.12500000000000 0.53309144482597 74.922 > 97 100 As 0.90663618771831 0.62500000000000 0.53309144482597 74.922 > 97 101 As 0.40663618771831 0.12500000000000 0.21690855517403 74.922 > 101 102 As 0.40663618771831 0.62500000000000 0.21690855517403 74.922 > 101 103 As 0.40663618771831 0.12500000000000 0.71690855517403 74.922 > 101 104 As 0.40663618771831 0.62500000000000 0.71690855517403 74.922 > 101 105 As 0.09336381228169 0.37500000000000 0.46690855517403 74.922 > 105 106 As 0.09336381228169 0.87500000000000 0.46690855517403 74.922 > 105 107 As 0.09336381228169 0.37500000000000 0.96690855517403 74.922 > 105 108 As 0.09336381228169 0.87500000000000 0.96690855517403 74.922 > 105 109 As 0.59336381228169 0.37500000000000 0.28309144482597 74.922 > 109 110 As 0.59336381228169 0.87500000000000 0.28309144482597 74.922 > 109 111 As 0.59336381228169 0.37500000000000 0.78309144482597 74.922 > 109 112 As 0.59336381228169 0.87500000000000 0.78309144482597 74.922 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9904932 0.0000000 0.0000000 0.0000000 2.9804782 0.0000000 0.0000000 0.0000000 3.1558987 -------------------------- Born effective charges -------------------------- 1 Li 0.8543050 -0.2395946 -0.0729822 -0.1750174 0.9988534 0.1194813 0.0777479 -0.0873009 1.2872077 2 Li 0.8543050 -0.2395946 0.0729822 -0.1750174 0.9988534 -0.1194813 -0.0777479 0.0873009 1.2872077 3 Li 0.8543050 0.2395946 -0.0729822 0.1750174 0.9988534 -0.1194813 0.0777479 0.0873009 1.2872077 4 Li 0.8543050 0.2395946 0.0729822 0.1750174 0.9988534 0.1194813 -0.0777479 -0.0873009 1.2872077 5 O -1.4888560 0.2330014 0.2154005 0.3530216 -1.8881260 -0.0999372 0.2063271 -0.0152486 -1.4791119 6 O -1.4888560 0.2330014 0.2154005 0.3530216 -1.8881260 -0.0999372 0.2063271 -0.0152486 -1.4791119 7 O -1.4888560 0.2330014 -0.2154005 0.3530216 -1.8881260 0.0999372 -0.2063271 0.0152486 -1.4791119 8 O -1.4888560 -0.2330014 0.2154005 -0.3530216 -1.8881260 0.0999372 0.2063271 0.0152486 -1.4791119 9 O -1.4888560 -0.2330014 -0.2154005 -0.3530216 -1.8881260 -0.0999372 -0.2063271 -0.0152486 -1.4791119 10 O -1.2865925 -0.0000000 0.0994030 -0.0000000 -1.2452306 0.0000000 0.1745593 0.0000000 -2.1745715 11 O -1.4888560 0.2330014 -0.2154005 0.3530216 -1.8881260 0.0999372 -0.2063271 0.0152486 -1.4791119 12 O -1.4888560 -0.2330014 0.2154005 -0.3530216 -1.8881260 0.0999372 0.2063271 0.0152486 -1.4791119 13 O -1.2865925 -0.0000000 0.0994030 -0.0000000 -1.2452306 0.0000000 0.1745593 0.0000000 -2.1745715 14 O -1.2865925 -0.0000000 -0.0994030 -0.0000000 -1.2452306 0.0000000 -0.1745593 0.0000000 -2.1745715 15 O -2.0299357 -0.0000000 -0.1355146 -0.0000000 -1.3294933 0.0000000 -0.0229288 0.0000000 -1.3240742 16 O -1.2865925 -0.0000000 -0.0994030 -0.0000000 -1.2452306 0.0000000 -0.1745593 0.0000000 -2.1745715 17 O -2.0299357 -0.0000000 0.1355146 -0.0000000 -1.3294933 0.0000000 0.0229288 0.0000000 -1.3240742 18 O -2.0299357 -0.0000000 0.1355146 -0.0000000 -1.3294933 0.0000000 0.0229288 0.0000000 -1.3240742 19 O -2.0299357 -0.0000000 -0.1355146 -0.0000000 -1.3294933 0.0000000 -0.0229288 0.0000000 -1.3240742 20 O -1.4888560 -0.2330014 -0.2154005 -0.3530216 -1.8881260 -0.0999372 -0.2063271 -0.0152486 -1.4791119 21 Mg 2.4028859 -0.0000000 0.0935399 -0.0000000 2.1031487 0.0000000 -0.1020392 0.0000000 1.9804493 22 Mg 2.4028859 -0.0000000 0.0935399 -0.0000000 2.1031487 0.0000000 -0.1020392 0.0000000 1.9804493 23 Mg 2.4028859 -0.0000000 -0.0935399 -0.0000000 2.1031487 0.0000000 0.1020392 0.0000000 1.9804493 24 Mg 2.4028859 -0.0000000 -0.0935399 -0.0000000 2.1031487 0.0000000 0.1020392 0.0000000 1.9804493 25 As 3.0370492 -0.0000000 -0.0225894 -0.0000000 3.2489737 0.0000000 -0.1046080 0.0000000 3.1892126 26 As 3.0370492 -0.0000000 0.0225894 -0.0000000 3.2489737 0.0000000 0.1046080 0.0000000 3.1892126 27 As 3.0370492 -0.0000000 -0.0225894 -0.0000000 3.2489737 0.0000000 -0.1046080 0.0000000 3.1892126 28 As 3.0370492 -0.0000000 0.0225894 -0.0000000 3.2489737 0.0000000 0.1046080 0.0000000 3.1892126 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000006 (xxx) -0.00000006 (xxx) -0.00000006 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 8 10 ] 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: 0.62, Number of G-points: 293, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.467 ( 0.000 0.000 0.000) 0.000 3.062 ( 0.000 0.000 0.000) 0.000 3.339 ( 0.000 0.000 0.000) 0.000 3.719 ( 0.000 0.000 0.000) 0.000 3.760 ( 0.000 0.000 0.000) 0.000 3.950 ( 0.000 0.000 0.000) 0.000 4.022 ( 0.000 0.000 0.000) 0.000 4.325 ( 0.000 0.000 0.000) 0.000 4.394 ( 0.000 0.000 0.000) 0.000 4.410 ( 0.000 0.000 0.000) 0.000 4.552 ( 0.000 0.000 0.000) 0.000 4.794 ( 0.000 0.000 0.000) 0.000 5.090 ( 0.000 0.000 0.000) 0.000 5.852 ( 0.000 0.000 0.000) 0.000 5.900 ( 0.000 0.000 0.000) 0.000 6.004 ( 0.000 0.000 0.000) 0.000 6.047 ( 0.000 0.000 0.000) 0.000 7.130 ( 0.000 0.000 0.000) 0.000 7.314 ( 0.000 0.000 0.000) 0.000 7.526 ( 0.000 0.000 0.000) 0.000 7.718 ( 0.000 0.000 0.000) 0.000 7.728 ( 0.000 0.000 0.000) 0.000 7.802 ( 0.000 0.000 0.000) 0.000 7.880 ( 0.000 0.000 0.000) 0.000 7.964 ( 0.000 0.000 0.000) 0.000 8.103 ( 0.000 0.000 0.000) 0.000 8.310 ( 0.000 0.000 0.000) 0.000 8.387 ( 0.000 0.000 0.000) 0.000 8.456 ( 0.000 0.000 0.000) 0.000 8.487 ( 0.000 0.000 0.000) 0.000 8.841 ( 0.000 0.000 0.000) 0.000 9.371 ( 0.000 0.000 0.000) 0.000 9.415 ( 0.000 0.000 0.000) 0.000 9.460 ( 0.000 0.000 0.000) 0.000 9.678 ( 0.000 0.000 0.000) 0.000 9.712 ( 0.000 0.000 0.000) 0.000 9.862 ( 0.000 0.000 0.000) 0.000 10.047 ( 0.000 0.000 0.000) 0.000 10.175 ( 0.000 0.000 0.000) 0.000 10.249 ( 0.000 0.000 0.000) 0.000 10.882 ( 0.000 0.000 0.000) 0.000 10.930 ( 0.000 0.000 0.000) 0.000 11.093 ( 0.000 0.000 0.000) 0.000 11.300 ( 0.000 0.000 0.000) 0.000 11.385 ( 0.000 0.000 0.000) 0.000 11.609 ( 0.000 0.000 0.000) 0.000 11.802 ( 0.000 0.000 0.000) 0.000 11.867 ( 0.000 0.000 0.000) 0.000 11.891 ( 0.000 0.000 0.000) 0.000 12.182 ( 0.000 0.000 0.000) 0.000 12.392 ( 0.000 0.000 0.000) 0.000 12.758 ( 0.000 0.000 0.000) 0.000 12.828 ( 0.000 0.000 0.000) 0.000 12.847 ( 0.000 0.000 0.000) 0.000 12.964 ( 0.000 0.000 0.000) 0.000 12.970 ( 0.000 0.000 0.000) 0.000 13.138 ( 0.000 0.000 0.000) 0.000 13.565 ( 0.000 0.000 0.000) 0.000 13.812 ( 0.000 0.000 0.000) 0.000 13.847 ( 0.000 0.000 0.000) 0.000 14.712 ( 0.000 0.000 0.000) 0.000 15.081 ( 0.000 0.000 0.000) 0.000 15.394 ( 0.000 0.000 0.000) 0.000 15.501 ( 0.000 0.000 0.000) 0.000 16.084 ( 0.000 0.000 0.000) 0.000 22.026 ( 0.000 0.000 0.000) 0.000 22.070 ( 0.000 0.000 0.000) 0.000 22.809 ( 0.000 0.000 0.000) 0.000 22.910 ( 0.000 0.000 0.000) 0.000 23.066 ( 0.000 0.000 0.000) 0.000 23.348 ( 0.000 0.000 0.000) 0.000 23.446 ( 0.000 0.000 0.000) 0.000 23.632 ( 0.000 0.000 0.000) 0.000 23.639 ( 0.000 0.000 0.000) 0.000 23.745 ( 0.000 0.000 0.000) 0.000 23.784 ( 0.000 0.000 0.000) 0.000 24.177 ( 0.000 0.000 0.000) 0.000 24.274 ( 0.000 0.000 0.000) 0.000 24.630 ( 0.000 0.000 0.000) 0.000 24.684 ( 0.000 0.000 0.000) 0.000 25.792 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 37.963 0.000 0.000) 37.963 0.738 ( 37.355 0.000 0.000) 37.355 1.204 ( 60.956 0.000 0.000) 60.956 2.331 ( -13.644 0.000 0.000) 13.644 2.737 ( -26.254 0.000 0.000) 26.254 3.426 ( 7.871 0.000 0.000) 7.871 3.729 ( -2.780 0.000 0.000) 2.780 3.934 ( -0.834 0.000 0.000) 0.834 3.999 ( 21.760 0.000 0.000) 21.760 4.057 ( 2.811 0.000 0.000) 2.811 4.085 ( -30.009 0.000 0.000) 30.009 4.316 ( -1.101 0.000 0.000) 1.101 4.339 ( -5.257 0.000 0.000) 5.257 4.623 ( 6.794 0.000 0.000) 6.794 4.783 ( -1.406 0.000 0.000) 1.406 5.121 ( -0.898 0.000 0.000) 0.898 5.875 ( 2.190 0.000 0.000) 2.190 5.997 ( -0.806 0.000 0.000) 0.806 6.083 ( 4.123 0.000 0.000) 4.123 6.483 ( -4.938 0.000 0.000) 4.938 7.063 ( -14.405 0.000 0.000) 14.405 7.181 ( 5.171 0.000 0.000) 5.171 7.306 ( -24.920 0.000 0.000) 24.920 7.701 ( -5.879 0.000 0.000) 5.879 7.769 ( 0.081 0.000 0.000) 0.081 7.803 ( 16.101 0.000 0.000) 16.101 7.883 ( -0.191 0.000 0.000) 0.191 8.121 ( 2.523 0.000 0.000) 2.523 8.134 ( 3.178 0.000 0.000) 3.178 8.457 ( -3.371 0.000 0.000) 3.371 8.483 ( 2.682 0.000 0.000) 2.682 8.485 ( 10.464 0.000 0.000) 10.464 8.517 ( 19.063 0.000 0.000) 19.063 8.765 ( -6.512 0.000 0.000) 6.512 9.259 ( -6.016 0.000 0.000) 6.016 9.380 ( -8.140 0.000 0.000) 8.140 9.510 ( 1.890 0.000 0.000) 1.890 9.668 ( -4.204 0.000 0.000) 4.204 9.723 ( 3.641 0.000 0.000) 3.641 9.854 ( -0.823 0.000 0.000) 0.823 10.157 ( 12.657 0.000 0.000) 12.657 10.341 ( 5.249 0.000 0.000) 5.249 10.349 ( 10.058 0.000 0.000) 10.058 10.953 ( 2.385 0.000 0.000) 2.385 10.994 ( -8.691 0.000 0.000) 8.691 11.182 ( -11.136 0.000 0.000) 11.136 11.289 ( -7.730 0.000 0.000) 7.730 11.541 ( -18.684 0.000 0.000) 18.684 11.670 ( 6.153 0.000 0.000) 6.153 11.932 ( 11.202 0.000 0.000) 11.202 12.055 ( 6.171 0.000 0.000) 6.171 12.262 ( 7.184 0.000 0.000) 7.184 12.418 ( 2.015 0.000 0.000) 2.015 12.608 ( -13.783 0.000 0.000) 13.783 12.705 ( -10.296 0.000 0.000) 10.296 12.722 ( -3.727 0.000 0.000) 3.727 13.019 ( 4.771 0.000 0.000) 4.771 13.135 ( 7.599 0.000 0.000) 7.599 13.229 ( 7.118 0.000 0.000) 7.118 13.541 ( -2.454 0.000 0.000) 2.454 13.819 ( 0.582 0.000 0.000) 0.582 13.826 ( -0.557 0.000 0.000) 0.557 14.491 ( 6.934 0.000 0.000) 6.934 14.733 ( 2.288 0.000 0.000) 2.288 15.034 ( -4.815 0.000 0.000) 4.815 15.152 ( -14.049 0.000 0.000) 14.049 15.752 ( 15.072 0.000 0.000) 15.072 16.414 ( -5.581 0.000 0.000) 5.581 22.029 ( 0.388 0.000 0.000) 0.388 22.066 ( -0.481 0.000 0.000) 0.481 22.819 ( 1.022 0.000 0.000) 1.022 22.901 ( -0.934 0.000 0.000) 0.934 23.093 ( 2.681 0.000 0.000) 2.681 23.321 ( -2.695 0.000 0.000) 2.695 23.598 ( 0.269 0.000 0.000) 0.269 23.628 ( -0.417 0.000 0.000) 0.417 23.647 ( 0.849 0.000 0.000) 0.849 23.730 ( -1.386 0.000 0.000) 1.386 24.194 ( 1.574 0.000 0.000) 1.574 24.270 ( -0.436 0.000 0.000) 0.436 24.620 ( -0.134 0.000 0.000) 0.134 24.627 ( -0.302 0.000 0.000) 0.302 25.805 ( 1.339 0.000 0.000) 1.339 25.912 ( -1.201 0.000 0.000) 1.201 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 32.442 0.000 0.000) 32.442 1.449 ( 35.801 0.000 0.000) 35.801 1.963 ( -24.284 0.000 0.000) 24.284 2.053 ( -14.807 0.000 0.000) 14.807 2.438 ( 37.480 0.000 0.000) 37.480 3.352 ( -45.021 0.000 0.000) 45.021 3.578 ( 6.545 0.000 0.000) 6.545 3.668 ( -3.496 0.000 0.000) 3.496 3.962 ( 4.533 0.000 0.000) 4.533 4.070 ( -3.642 0.000 0.000) 3.642 4.250 ( -1.304 0.000 0.000) 1.304 4.280 ( -2.501 0.000 0.000) 2.501 4.424 ( 20.648 0.000 0.000) 20.648 4.708 ( -7.960 0.000 0.000) 7.960 4.783 ( 9.371 0.000 0.000) 9.371 4.990 ( -11.366 0.000 0.000) 11.366 5.925 ( 2.766 0.000 0.000) 2.766 5.971 ( -1.906 0.000 0.000) 1.906 6.207 ( 8.163 0.000 0.000) 8.163 6.362 ( -7.383 0.000 0.000) 7.383 6.868 ( -4.540 0.000 0.000) 4.540 6.935 ( -12.016 0.000 0.000) 12.016 7.323 ( 9.438 0.000 0.000) 9.438 7.525 ( -10.814 0.000 0.000) 10.814 7.805 ( 2.706 0.000 0.000) 2.706 7.857 ( -2.349 0.000 0.000) 2.349 8.036 ( 8.122 0.000 0.000) 8.122 8.133 ( -2.430 0.000 0.000) 2.430 8.213 ( 6.716 0.000 0.000) 6.716 8.353 ( -7.073 0.000 0.000) 7.073 8.550 ( 4.150 0.000 0.000) 4.150 8.643 ( -5.604 0.000 0.000) 5.604 8.774 ( 17.913 0.000 0.000) 17.913 8.875 ( 16.729 0.000 0.000) 16.729 9.096 ( -12.503 0.000 0.000) 12.503 9.172 ( -13.089 0.000 0.000) 13.089 9.507 ( 0.740 0.000 0.000) 0.740 9.571 ( -5.138 0.000 0.000) 5.138 9.787 ( 2.803 0.000 0.000) 2.803 9.830 ( -1.712 0.000 0.000) 1.712 10.460 ( 12.211 0.000 0.000) 12.211 10.462 ( 6.361 0.000 0.000) 6.361 10.605 ( 15.585 0.000 0.000) 15.585 10.868 ( 1.058 0.000 0.000) 1.058 10.912 ( -15.351 0.000 0.000) 15.351 11.027 ( 4.509 0.000 0.000) 4.509 11.142 ( -7.098 0.000 0.000) 7.098 11.148 ( -21.343 0.000 0.000) 21.343 11.833 ( 10.441 0.000 0.000) 10.441 12.034 ( -8.373 0.000 0.000) 8.373 12.173 ( 13.089 0.000 0.000) 13.089 12.371 ( -1.836 0.000 0.000) 1.836 12.442 ( 0.225 0.000 0.000) 0.225 12.448 ( -2.168 0.000 0.000) 2.168 12.528 ( -2.514 0.000 0.000) 2.514 12.621 ( -6.521 0.000 0.000) 6.521 13.128 ( 5.678 0.000 0.000) 5.678 13.199 ( -0.797 0.000 0.000) 0.797 13.364 ( 6.492 0.000 0.000) 6.492 13.472 ( -4.673 0.000 0.000) 4.673 13.822 ( 0.249 0.000 0.000) 0.249 13.827 ( 0.039 0.000 0.000) 0.039 14.665 ( 10.503 0.000 0.000) 10.503 14.805 ( 5.376 0.000 0.000) 5.376 14.879 ( -11.369 0.000 0.000) 11.369 14.934 ( -7.913 0.000 0.000) 7.913 16.029 ( 13.483 0.000 0.000) 13.483 16.260 ( -10.256 0.000 0.000) 10.256 22.040 ( 0.667 0.000 0.000) 0.667 22.054 ( -0.724 0.000 0.000) 0.724 22.845 ( 1.602 0.000 0.000) 1.602 22.876 ( -1.549 0.000 0.000) 1.549 23.163 ( 4.391 0.000 0.000) 4.391 23.250 ( -4.422 0.000 0.000) 4.422 23.606 ( 0.531 0.000 0.000) 0.531 23.617 ( -0.623 0.000 0.000) 0.623 23.669 ( 1.397 0.000 0.000) 1.397 23.699 ( -1.652 0.000 0.000) 1.652 24.228 ( 1.746 0.000 0.000) 1.746 24.256 ( -1.091 0.000 0.000) 1.091 24.619 ( -0.014 0.000 0.000) 0.014 24.621 ( -0.260 0.000 0.000) 0.260 25.839 ( 2.091 0.000 0.000) 2.091 25.880 ( -2.006 0.000 0.000) 2.006 ======================= Grid point 5 (4/90) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 0.000 32.812 0.000) 32.812 0.802 ( 0.000 38.026 0.000) 38.026 1.362 ( 0.000 63.040 0.000) 63.040 2.682 ( 0.000 18.439 0.000) 18.439 3.100 ( 0.000 3.446 0.000) 3.446 3.523 ( 0.000 16.268 0.000) 16.268 3.677 ( 0.000 -2.876 0.000) 2.876 3.859 ( 0.000 -7.900 0.000) 7.900 3.877 ( 0.000 9.246 0.000) 9.246 4.100 ( 0.000 -9.970 0.000) 9.970 4.135 ( 0.000 9.445 0.000) 9.445 4.468 ( 0.000 -7.861 0.000) 7.861 4.562 ( 0.000 14.307 0.000) 14.307 4.611 ( 0.000 -11.198 0.000) 11.198 4.704 ( 0.000 11.568 0.000) 11.568 5.152 ( 0.000 5.370 0.000) 5.370 5.839 ( 0.000 -1.573 0.000) 1.573 5.888 ( 0.000 -0.927 0.000) 0.927 6.126 ( 0.000 6.390 0.000) 6.390 6.139 ( 0.000 3.670 0.000) 3.670 7.122 ( 0.000 -14.161 0.000) 14.161 7.242 ( 0.000 9.841 0.000) 9.841 7.296 ( 0.000 -16.182 0.000) 16.182 7.680 ( 0.000 -11.502 0.000) 11.502 7.722 ( 0.000 0.712 0.000) 0.712 7.916 ( 0.000 5.657 0.000) 5.657 8.020 ( 0.000 6.775 0.000) 6.775 8.057 ( 0.000 5.505 0.000) 5.505 8.218 ( 0.000 6.470 0.000) 6.470 8.364 ( 0.000 6.144 0.000) 6.144 8.410 ( 0.000 3.300 0.000) 3.300 8.517 ( 0.000 5.384 0.000) 5.384 8.768 ( 0.000 9.168 0.000) 9.168 8.825 ( 0.000 -1.453 0.000) 1.453 9.335 ( 0.000 -3.277 0.000) 3.277 9.406 ( 0.000 -0.405 0.000) 0.405 9.449 ( 0.000 -1.045 0.000) 1.045 9.615 ( 0.000 -8.082 0.000) 8.082 9.682 ( 0.000 -11.114 0.000) 11.114 10.036 ( 0.000 0.899 0.000) 0.899 10.164 ( 0.000 -1.221 0.000) 1.221 10.298 ( 0.000 17.089 0.000) 17.089 10.814 ( 0.000 -5.888 0.000) 5.888 10.950 ( 0.000 1.061 0.000) 1.061 11.041 ( 0.000 -4.716 0.000) 4.716 11.237 ( 0.000 -5.512 0.000) 5.512 11.417 ( 0.000 2.258 0.000) 2.258 11.478 ( 0.000 0.137 0.000) 0.137 11.659 ( 0.000 4.904 0.000) 4.904 11.701 ( 0.000 -5.381 0.000) 5.381 11.875 ( 0.000 -1.385 0.000) 1.385 12.044 ( 0.000 8.916 0.000) 8.916 12.182 ( 0.000 -9.985 0.000) 9.985 12.208 ( 0.000 -6.210 0.000) 6.210 12.766 ( 0.000 -5.393 0.000) 5.393 12.826 ( 0.000 -10.789 0.000) 10.789 12.852 ( 0.000 -8.985 0.000) 8.985 12.901 ( 0.000 5.027 0.000) 5.027 13.122 ( 0.000 -2.744 0.000) 2.744 13.654 ( 0.000 6.492 0.000) 6.492 13.831 ( 0.000 -1.541 0.000) 1.541 13.974 ( 0.000 13.069 0.000) 13.069 14.472 ( 0.000 -10.343 0.000) 10.343 14.941 ( 0.000 11.375 0.000) 11.375 15.036 ( 0.000 -4.006 0.000) 4.006 15.376 ( 0.000 -1.671 0.000) 1.671 15.489 ( 0.000 -1.171 0.000) 1.171 16.045 ( 0.000 -3.627 0.000) 3.627 22.117 ( 0.000 4.304 0.000) 4.304 22.785 ( 0.000 -1.986 0.000) 1.986 22.898 ( 0.000 -0.877 0.000) 0.877 23.056 ( 0.000 -0.956 0.000) 0.956 23.442 ( 0.000 7.999 0.000) 7.999 23.507 ( 0.000 5.102 0.000) 5.102 23.636 ( 0.000 0.384 0.000) 0.384 23.640 ( 0.000 0.122 0.000) 0.122 23.752 ( 0.000 0.984 0.000) 0.984 23.789 ( 0.000 0.647 0.000) 0.647 24.171 ( 0.000 -0.582 0.000) 0.582 24.269 ( 0.000 -0.469 0.000) 0.469 24.624 ( 0.000 -0.322 0.000) 0.322 24.674 ( 0.000 -0.901 0.000) 0.901 24.796 ( 0.000 -1.602 0.000) 1.602 25.729 ( 0.000 -5.865 0.000) 5.865 ======================= Grid point 6 (5/90) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 27.528 21.752 0.000) 35.085 1.055 ( 24.490 26.680 0.000) 36.216 1.804 ( 37.915 45.594 0.000) 59.299 2.538 ( -14.348 17.430 0.000) 22.576 2.787 ( -25.118 4.971 0.000) 25.605 3.586 ( 3.003 13.259 0.000) 13.595 3.783 ( -5.576 -6.289 0.000) 8.404 3.852 ( -0.439 10.245 0.000) 10.255 3.925 ( 17.394 -4.375 0.000) 17.936 4.091 ( -2.036 -3.252 0.000) 3.837 4.161 ( 1.869 8.328 0.000) 8.535 4.457 ( -3.077 1.165 0.000) 3.290 4.508 ( -12.732 14.120 0.000) 19.013 4.606 ( 6.010 5.798 0.000) 8.351 4.641 ( -0.191 -11.974 0.000) 11.976 5.151 ( -3.445 3.076 0.000) 4.618 5.850 ( 1.609 -2.102 0.000) 2.647 6.014 ( 4.235 -1.617 0.000) 4.534 6.135 ( 1.246 3.956 0.000) 4.147 6.161 ( 2.562 -8.805 0.000) 9.170 6.931 ( -10.859 -10.456 0.000) 15.075 7.248 ( -8.302 3.575 0.000) 9.039 7.335 ( -11.212 4.329 0.000) 12.019 7.424 ( 4.533 -15.803 0.000) 16.440 7.771 ( 0.634 -5.820 0.000) 5.854 7.924 ( -1.854 6.328 0.000) 6.594 8.041 ( 6.029 9.992 0.000) 11.670 8.147 ( 4.172 5.772 0.000) 7.122 8.320 ( 1.991 10.720 0.000) 10.904 8.457 ( 9.996 -1.357 0.000) 10.088 8.463 ( 4.772 0.148 0.000) 4.774 8.590 ( 10.317 5.516 0.000) 11.699 8.655 ( -7.488 11.821 0.000) 13.993 8.779 ( -3.923 1.703 0.000) 4.276 9.232 ( -6.222 -2.240 0.000) 6.613 9.361 ( -7.907 -1.436 0.000) 8.037 9.486 ( 0.982 -2.230 0.000) 2.436 9.627 ( -0.808 -3.178 0.000) 3.280 9.719 ( 5.298 -8.861 0.000) 10.324 9.991 ( -5.634 10.155 0.000) 11.613 10.190 ( 5.336 -6.051 0.000) 8.068 10.371 ( 8.065 15.942 0.000) 17.866 10.510 ( -3.587 5.891 0.000) 6.897 10.885 ( -7.954 -4.622 0.000) 9.199 10.988 ( -4.046 -4.967 0.000) 6.406 11.177 ( -4.546 1.909 0.000) 4.931 11.301 ( -8.768 2.044 0.000) 9.003 11.526 ( -13.070 -1.212 0.000) 13.126 11.677 ( 2.860 0.331 0.000) 2.879 11.778 ( 8.827 -11.253 0.000) 14.302 12.112 ( 7.476 0.692 0.000) 7.508 12.232 ( 4.067 -13.253 0.000) 13.863 12.275 ( 5.449 -0.967 0.000) 5.534 12.279 ( 19.025 -13.832 0.000) 23.522 12.610 ( -11.671 -2.817 0.000) 12.006 12.679 ( -6.953 -2.865 0.000) 7.520 12.918 ( 5.767 -8.352 0.000) 10.150 13.105 ( 8.917 -2.568 0.000) 9.279 13.193 ( 6.479 -3.459 0.000) 7.344 13.627 ( -3.441 6.509 0.000) 7.362 13.824 ( 0.140 -1.284 0.000) 1.292 13.963 ( -1.256 11.506 0.000) 11.574 14.447 ( 0.927 -7.180 0.000) 7.239 14.869 ( -2.163 11.822 0.000) 12.018 14.988 ( -5.349 -4.290 0.000) 6.857 15.152 ( -12.720 0.305 0.000) 12.724 15.720 ( 13.857 -2.998 0.000) 14.177 16.167 ( 4.632 -11.681 0.000) 12.566 22.128 ( 1.174 5.486 0.000) 5.610 22.656 ( -26.809 19.052 0.000) 32.890 22.801 ( 1.616 -1.529 0.000) 2.224 22.992 ( -8.239 7.513 0.000) 11.150 23.150 ( -0.255 11.826 0.000) 11.829 23.412 ( -3.076 7.879 0.000) 8.458 23.614 ( -0.826 1.271 0.000) 1.515 23.632 ( -0.396 0.400 0.000) 0.563 23.649 ( 0.919 0.219 0.000) 0.945 23.736 ( -1.500 0.791 0.000) 1.696 24.188 ( 1.648 -0.506 0.000) 1.724 24.268 ( -0.432 -0.239 0.000) 0.494 24.618 ( -0.455 -0.182 0.000) 0.490 24.622 ( -0.263 -0.300 0.000) 0.399 25.464 ( 23.828 -25.013 0.000) 34.546 25.734 ( 0.431 -6.577 0.000) 6.591 ======================= Grid point 7 (6/90) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 30.718 12.308 0.000) 33.092 1.597 ( 28.443 15.779 0.000) 32.526 2.165 ( -23.090 16.378 0.000) 28.309 2.211 ( -26.153 12.167 0.000) 28.845 2.641 ( 38.714 20.646 0.000) 43.875 3.331 ( -28.352 3.881 0.000) 28.616 3.825 ( 4.600 16.906 0.000) 17.521 3.845 ( 0.231 15.201 0.000) 15.203 4.040 ( 0.467 4.208 0.000) 4.234 4.126 ( -2.886 0.971 0.000) 3.045 4.237 ( 6.009 2.017 0.000) 6.339 4.322 ( -5.553 5.648 0.000) 7.920 4.453 ( 8.094 0.390 0.000) 8.103 4.617 ( -4.255 -8.659 0.000) 9.648 4.758 ( 9.092 -0.049 0.000) 9.092 4.976 ( -12.977 -0.190 0.000) 12.979 5.915 ( 4.767 -1.430 0.000) 4.977 6.003 ( -3.573 2.257 0.000) 4.226 6.171 ( 1.930 -2.452 0.000) 3.121 6.191 ( 0.030 -11.524 0.000) 11.524 6.804 ( -1.141 -4.773 0.000) 4.907 6.920 ( -13.373 -0.410 0.000) 13.379 7.385 ( 4.788 1.957 0.000) 5.173 7.448 ( -1.258 -9.145 0.000) 9.231 7.785 ( 1.450 -0.439 0.000) 1.515 7.844 ( -4.597 7.163 0.000) 8.511 8.195 ( 6.627 9.839 0.000) 11.863 8.232 ( 3.740 6.868 0.000) 7.821 8.324 ( 0.414 8.593 0.000) 8.603 8.420 ( -7.650 3.816 0.000) 8.549 8.579 ( 4.812 2.302 0.000) 5.334 8.656 ( -1.370 2.093 0.000) 2.502 8.780 ( 11.488 2.150 0.000) 11.687 8.885 ( 16.054 1.059 0.000) 16.089 9.060 ( -12.929 -2.578 0.000) 13.184 9.164 ( -12.527 -0.540 0.000) 12.539 9.485 ( 1.734 -1.955 0.000) 2.613 9.562 ( -5.025 -0.910 0.000) 5.107 9.829 ( 4.499 -0.731 0.000) 4.558 9.898 ( -3.542 7.303 0.000) 8.117 10.370 ( 11.442 -8.137 0.000) 14.041 10.538 ( 0.224 4.556 0.000) 4.562 10.603 ( 9.747 -1.362 0.000) 9.841 10.763 ( 2.386 -3.677 0.000) 4.383 10.840 ( -8.451 -7.374 0.000) 11.216 11.066 ( -16.062 -0.649 0.000) 16.075 11.165 ( 3.535 9.774 0.000) 10.394 11.290 ( -9.634 7.967 0.000) 12.501 11.772 ( 6.202 -6.166 0.000) 8.746 11.858 ( -0.906 -11.855 0.000) 11.890 12.227 ( 4.674 -1.448 0.000) 4.893 12.280 ( -0.139 -9.855 0.000) 9.856 12.376 ( 4.455 -1.979 0.000) 4.875 12.442 ( -2.831 1.470 0.000) 3.190 12.475 ( 2.007 -10.235 0.000) 10.430 12.546 ( -5.866 0.200 0.000) 5.869 13.052 ( 7.393 -6.375 0.000) 9.762 13.160 ( -2.620 -3.576 0.000) 4.433 13.343 ( 8.691 -1.915 0.000) 8.899 13.510 ( -8.144 2.594 0.000) 8.547 13.858 ( 3.125 2.639 0.000) 4.090 13.922 ( -2.989 7.484 0.000) 8.059 14.571 ( 10.921 -7.582 0.000) 13.295 14.808 ( -12.466 -6.046 0.000) 13.855 14.884 ( 3.062 7.258 0.000) 7.878 14.973 ( -6.183 3.690 0.000) 7.200 15.967 ( 11.516 -5.359 0.000) 12.702 16.143 ( -6.151 -8.801 0.000) 10.737 22.171 ( 3.682 9.471 0.000) 10.162 22.296 ( -10.698 17.439 0.000) 20.459 22.844 ( 2.667 -0.248 0.000) 2.678 22.901 ( -3.321 1.980 0.000) 3.867 23.225 ( 5.357 6.860 0.000) 8.704 23.330 ( -5.180 7.409 0.000) 9.040 23.613 ( 0.342 0.624 0.000) 0.712 23.623 ( -0.562 0.458 0.000) 0.725 23.673 ( 1.455 0.369 0.000) 1.501 23.704 ( -1.723 0.529 0.000) 1.802 24.224 ( 1.820 -0.383 0.000) 1.859 24.253 ( -1.147 -0.277 0.000) 1.180 24.614 ( -0.044 -0.296 0.000) 0.299 24.616 ( -0.231 -0.278 0.000) 0.361 25.698 ( 4.881 -14.758 0.000) 15.544 25.738 ( -0.358 -9.045 0.000) 9.052 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 0.000 34.584 0.000) 34.584 1.591 ( 0.000 36.873 0.000) 36.873 2.606 ( 0.000 54.094 0.000) 54.094 3.086 ( 0.000 15.185 0.000) 15.185 3.194 ( 0.000 4.937 0.000) 4.937 3.626 ( 0.000 -1.840 0.000) 1.840 3.650 ( 0.000 -10.360 0.000) 10.360 3.954 ( 0.000 22.241 0.000) 22.241 3.987 ( 0.000 -3.516 0.000) 3.516 4.091 ( 0.000 4.917 0.000) 4.917 4.234 ( 0.000 -14.865 0.000) 14.865 4.265 ( 0.000 -5.625 0.000) 5.625 4.354 ( 0.000 9.653 0.000) 9.653 4.882 ( 0.000 12.825 0.000) 12.825 5.002 ( 0.000 12.614 0.000) 12.614 5.284 ( 0.000 6.295 0.000) 6.295 5.778 ( 0.000 -3.838 0.000) 3.838 5.891 ( 0.000 2.508 0.000) 2.508 6.212 ( 0.000 2.299 0.000) 2.299 6.219 ( 0.000 -0.451 0.000) 0.451 6.837 ( 0.000 -11.605 0.000) 11.605 6.947 ( 0.000 -15.851 0.000) 15.851 7.470 ( 0.000 9.199 0.000) 9.199 7.503 ( 0.000 -3.680 0.000) 3.680 7.786 ( 0.000 6.797 0.000) 6.797 7.980 ( 0.000 0.775 0.000) 0.775 8.106 ( 0.000 1.134 0.000) 1.134 8.155 ( 0.000 2.807 0.000) 2.807 8.368 ( 0.000 9.413 0.000) 9.413 8.556 ( 0.000 10.554 0.000) 10.554 8.566 ( 0.000 12.624 0.000) 12.624 8.657 ( 0.000 7.348 0.000) 7.348 8.788 ( 0.000 -1.671 0.000) 1.671 8.999 ( 0.000 12.012 0.000) 12.012 9.246 ( 0.000 -4.901 0.000) 4.901 9.414 ( 0.000 -2.418 0.000) 2.418 9.415 ( 0.000 -10.283 0.000) 10.283 9.418 ( 0.000 1.510 0.000) 1.510 9.435 ( 0.000 -11.959 0.000) 11.959 10.054 ( 0.000 1.235 0.000) 1.235 10.106 ( 0.000 -4.859 0.000) 4.859 10.652 ( 0.000 -9.361 0.000) 9.361 10.655 ( 0.000 12.902 0.000) 12.902 10.895 ( 0.000 -7.955 0.000) 7.955 10.902 ( 0.000 -8.473 0.000) 8.473 11.162 ( 0.000 3.333 0.000) 3.333 11.447 ( 0.000 0.196 0.000) 0.196 11.465 ( 0.000 -1.433 0.000) 1.433 11.647 ( 0.000 0.229 0.000) 0.229 11.737 ( 0.000 -23.774 0.000) 23.774 11.829 ( 0.000 11.479 0.000) 11.479 11.843 ( 0.000 -1.490 0.000) 1.490 12.211 ( 0.000 6.647 0.000) 6.647 12.232 ( 0.000 1.851 0.000) 1.851 12.597 ( 0.000 -9.784 0.000) 9.784 12.621 ( 0.000 -13.140 0.000) 13.140 12.633 ( 0.000 -6.600 0.000) 6.600 13.011 ( 0.000 -7.850 0.000) 7.850 13.051 ( 0.000 8.904 0.000) 8.904 13.752 ( 0.000 -1.223 0.000) 1.223 13.808 ( 0.000 2.881 0.000) 2.881 14.271 ( 0.000 -8.655 0.000) 8.655 14.275 ( 0.000 14.360 0.000) 14.360 14.932 ( 0.000 -5.368 0.000) 5.368 15.175 ( 0.000 10.868 0.000) 10.868 15.331 ( 0.000 -2.296 0.000) 2.296 15.450 ( 0.000 -2.641 0.000) 2.641 15.937 ( 0.000 -6.437 0.000) 6.437 22.240 ( 0.000 7.019 0.000) 7.019 22.732 ( 0.000 -3.041 0.000) 3.041 22.887 ( 0.000 0.032 0.000) 0.032 23.027 ( 0.000 -1.749 0.000) 1.749 23.608 ( 0.000 5.554 0.000) 5.554 23.615 ( 0.000 3.922 0.000) 3.922 23.644 ( 0.000 0.224 0.000) 0.224 23.647 ( 0.000 0.573 0.000) 0.573 23.817 ( 0.000 6.285 0.000) 6.285 23.834 ( 0.000 4.430 0.000) 4.430 24.153 ( 0.000 -1.062 0.000) 1.062 24.252 ( 0.000 -1.216 0.000) 1.216 24.636 ( 0.000 2.079 0.000) 2.079 24.650 ( 0.000 -1.227 0.000) 1.227 24.748 ( 0.000 -2.867 0.000) 2.867 25.552 ( 0.000 -10.798 0.000) 10.798 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 16.470 30.087 0.000) 34.300 1.703 ( 11.884 33.016 0.000) 35.090 2.813 ( 19.296 46.666 0.000) 50.498 2.906 ( -16.718 13.914 0.000) 21.751 2.939 ( -20.862 9.028 0.000) 22.732 3.671 ( 0.616 -3.465 0.000) 3.519 3.810 ( 13.515 -5.338 0.000) 14.531 3.945 ( -0.900 11.941 0.000) 11.975 4.049 ( 4.982 2.441 0.000) 5.548 4.086 ( -0.149 2.011 0.000) 2.016 4.274 ( 2.050 1.441 0.000) 2.506 4.282 ( 5.362 -12.537 0.000) 13.635 4.411 ( 4.099 6.496 0.000) 7.681 4.853 ( -13.185 13.996 0.000) 19.228 4.870 ( -1.567 11.941 0.000) 12.044 5.238 ( -6.761 4.359 0.000) 8.044 5.794 ( 1.884 -2.911 0.000) 3.467 5.930 ( 3.533 -1.721 0.000) 3.930 6.154 ( -5.670 1.388 0.000) 5.838 6.179 ( -3.352 -1.705 0.000) 3.761 6.710 ( -4.539 -8.853 0.000) 9.949 7.111 ( 8.901 -13.306 0.000) 16.008 7.299 ( -17.767 3.008 0.000) 18.019 7.422 ( -4.325 1.772 0.000) 4.674 7.802 ( 4.648 9.259 0.000) 10.360 8.010 ( 1.732 1.975 0.000) 2.627 8.142 ( 4.982 0.267 0.000) 4.990 8.293 ( 6.557 4.924 0.000) 8.200 8.458 ( 8.905 4.004 0.000) 9.764 8.538 ( -1.478 6.748 0.000) 6.908 8.559 ( -0.442 12.247 0.000) 12.255 8.724 ( 7.255 6.796 0.000) 9.940 8.809 ( 1.712 5.102 0.000) 5.382 8.939 ( -5.590 12.071 0.000) 13.303 9.183 ( -4.955 -2.043 0.000) 5.360 9.314 ( -6.389 -3.412 0.000) 7.243 9.404 ( -1.285 -6.307 0.000) 6.436 9.524 ( 5.168 -6.620 0.000) 8.398 9.561 ( 10.997 -4.746 0.000) 11.977 9.999 ( -1.579 -4.620 0.000) 4.883 10.141 ( -0.353 -1.082 0.000) 1.138 10.519 ( -7.351 -5.013 0.000) 8.898 10.688 ( -1.342 2.129 0.000) 2.516 10.737 ( -8.899 -6.672 0.000) 11.122 10.845 ( -4.927 -0.700 0.000) 4.976 11.248 ( 6.362 4.321 0.000) 7.691 11.388 ( -9.481 5.132 0.000) 10.781 11.495 ( -3.459 -2.224 0.000) 4.112 11.584 ( 5.539 -5.135 0.000) 7.554 11.636 ( -4.643 -8.631 0.000) 9.801 11.942 ( 6.236 -5.950 0.000) 8.619 12.023 ( 8.989 -6.099 0.000) 10.863 12.196 ( 0.437 0.064 0.000) 0.442 12.300 ( 4.816 1.816 0.000) 5.147 12.556 ( -2.773 -2.517 0.000) 3.745 12.590 ( -2.209 -5.230 0.000) 5.677 12.706 ( 7.161 -11.255 0.000) 13.340 13.082 ( 7.295 -7.155 0.000) 10.218 13.116 ( 3.681 4.160 0.000) 5.555 13.729 ( -7.506 -0.329 0.000) 7.513 13.798 ( 4.393 1.994 0.000) 4.824 14.222 ( -5.311 12.069 0.000) 13.186 14.276 ( 1.930 -8.056 0.000) 8.284 14.873 ( -6.976 -6.106 0.000) 9.270 15.124 ( -3.550 11.956 0.000) 12.472 15.174 ( -7.801 1.970 0.000) 8.045 15.633 ( 11.289 -5.098 0.000) 12.386 15.969 ( 1.625 -8.506 0.000) 8.660 22.272 ( 3.421 7.723 0.000) 8.446 22.758 ( 2.586 -2.640 0.000) 3.696 22.792 ( -9.324 2.266 0.000) 9.595 23.016 ( -2.770 -1.636 0.000) 3.217 23.540 ( -10.261 15.415 0.000) 18.518 23.588 ( -2.141 6.566 0.000) 6.907 23.641 ( -2.542 1.176 0.000) 2.801 23.643 ( -0.363 0.594 0.000) 0.696 23.664 ( 0.339 2.683 0.000) 2.704 23.789 ( -2.517 5.532 0.000) 6.078 24.172 ( 1.757 -1.042 0.000) 2.043 24.256 ( -0.292 -1.035 0.000) 1.076 24.615 ( -0.497 -0.016 0.000) 0.497 24.632 ( -0.374 1.911 0.000) 1.947 25.070 ( 20.004 -13.773 0.000) 24.287 25.541 ( -1.294 -11.526 0.000) 11.598 ======================= Grid point 12 (9/90) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 22.336 22.132 0.000) 31.444 2.019 ( 18.405 23.527 0.000) 29.870 2.500 ( -22.329 15.499 0.000) 27.181 2.523 ( -20.929 16.331 0.000) 26.547 3.238 ( 22.220 32.222 0.000) 39.140 3.580 ( -11.756 16.949 0.000) 20.627 3.958 ( 2.835 -6.970 0.000) 7.525 3.995 ( 2.132 -10.212 0.000) 10.432 4.106 ( 3.083 -2.768 0.000) 4.143 4.125 ( 2.046 0.257 0.000) 2.062 4.366 ( 7.852 10.636 0.000) 13.220 4.422 ( 7.571 -1.021 0.000) 7.640 4.483 ( 2.572 8.691 0.000) 9.063 4.578 ( -13.618 15.112 0.000) 20.342 4.839 ( 0.896 5.562 0.000) 5.634 5.011 ( -14.537 3.059 0.000) 14.856 5.868 ( 5.851 -2.394 0.000) 6.322 5.986 ( -2.468 -5.151 0.000) 5.712 6.043 ( -0.620 -1.192 0.000) 1.344 6.110 ( -3.899 -4.083 0.000) 5.646 6.731 ( 6.763 -0.979 0.000) 6.834 6.956 ( -15.924 4.115 0.000) 16.447 7.243 ( 5.325 -8.837 0.000) 10.318 7.336 ( -4.587 -4.028 0.000) 6.105 7.915 ( 5.829 9.584 0.000) 11.217 7.999 ( -2.661 6.211 0.000) 6.757 8.306 ( 9.743 -2.696 0.000) 10.110 8.381 ( 3.144 2.660 0.000) 4.118 8.492 ( -3.581 10.237 0.000) 10.845 8.496 ( -2.998 8.138 0.000) 8.673 8.652 ( 7.601 5.358 0.000) 9.299 8.789 ( -6.392 9.231 0.000) 11.228 8.894 ( 4.969 8.706 0.000) 10.024 8.926 ( 12.275 2.724 0.000) 12.574 9.047 ( -8.813 2.741 0.000) 9.230 9.153 ( -10.337 -0.419 0.000) 10.346 9.430 ( 4.380 -3.065 0.000) 5.345 9.532 ( -4.308 -2.092 0.000) 4.789 9.785 ( 11.469 -3.356 0.000) 11.950 9.976 ( -6.923 -1.630 0.000) 7.112 10.155 ( 9.242 -10.360 0.000) 13.884 10.422 ( -15.945 -13.288 0.000) 20.756 10.507 ( 5.012 -7.899 0.000) 9.354 10.647 ( -8.276 -10.012 0.000) 12.989 10.905 ( 10.485 12.578 0.000) 16.375 11.145 ( -13.523 7.150 0.000) 15.297 11.371 ( 6.095 8.777 0.000) 10.686 11.458 ( -2.564 6.714 0.000) 7.187 11.597 ( 0.285 -9.376 0.000) 9.380 11.624 ( -1.270 -9.088 0.000) 9.176 12.031 ( 2.982 -10.690 0.000) 11.098 12.066 ( -1.087 -10.309 0.000) 10.366 12.288 ( 5.627 -6.470 0.000) 8.574 12.347 ( -0.367 -2.747 0.000) 2.772 12.526 ( -0.150 3.204 0.000) 3.208 12.546 ( -2.006 0.436 0.000) 2.053 12.899 ( 11.582 -7.135 0.000) 13.603 13.091 ( -6.761 -1.689 0.000) 6.969 13.278 ( 12.521 -4.476 0.000) 13.297 13.529 ( -12.631 -1.426 0.000) 12.711 13.920 ( 7.969 3.463 0.000) 8.689 14.085 ( -8.496 7.409 0.000) 11.273 14.404 ( 11.388 -7.684 0.000) 13.738 14.661 ( -13.753 -7.291 0.000) 15.566 15.081 ( -0.843 10.747 0.000) 10.780 15.089 ( -1.804 7.272 0.000) 7.492 15.829 ( 8.664 -7.484 0.000) 11.449 15.952 ( -3.790 -9.159 0.000) 9.912 22.377 ( 7.651 9.144 0.000) 11.923 22.568 ( -12.032 8.307 0.000) 14.622 22.827 ( 4.421 -1.571 0.000) 4.692 22.923 ( -5.520 -0.487 0.000) 5.541 23.464 ( 1.667 13.694 0.000) 13.795 23.528 ( -3.862 9.458 0.000) 10.216 23.628 ( 0.091 0.700 0.000) 0.706 23.634 ( -0.478 0.615 0.000) 0.779 23.694 ( 1.957 2.385 0.000) 3.085 23.737 ( -2.598 3.773 0.000) 4.581 24.210 ( 1.911 -1.075 0.000) 2.192 24.241 ( -1.247 -1.043 0.000) 1.626 24.615 ( 0.289 0.660 0.000) 0.720 24.623 ( -0.506 1.408 0.000) 1.496 25.362 ( 10.328 -15.931 0.000) 18.986 25.493 ( -4.070 -13.566 0.000) 14.164 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 0.000 35.081 0.000) 35.081 2.336 ( 0.000 33.601 0.000) 33.601 3.236 ( 0.000 0.950 0.000) 0.950 3.246 ( 0.000 -1.383 0.000) 1.383 3.446 ( 0.000 -8.369 0.000) 8.369 3.537 ( 0.000 24.023 0.000) 24.023 3.547 ( 0.000 -28.648 0.000) 28.648 3.597 ( 0.000 -1.067 0.000) 1.067 3.926 ( 0.000 -0.216 0.000) 0.216 4.405 ( 0.000 19.408 0.000) 19.408 4.444 ( 0.000 21.441 0.000) 21.441 4.460 ( 0.000 13.923 0.000) 13.923 4.472 ( 0.000 0.222 0.000) 0.222 4.980 ( 0.000 -4.354 0.000) 4.354 5.165 ( 0.000 2.386 0.000) 2.386 5.368 ( 0.000 0.168 0.000) 0.168 5.728 ( 0.000 0.588 0.000) 0.588 6.031 ( 0.000 9.857 0.000) 9.857 6.061 ( 0.000 -12.792 0.000) 12.792 6.226 ( 0.000 -0.329 0.000) 0.329 6.650 ( 0.000 -6.660 0.000) 6.660 6.666 ( 0.000 -10.190 0.000) 10.190 7.524 ( 0.000 3.703 0.000) 3.703 7.577 ( 0.000 2.020 0.000) 2.020 7.978 ( 0.000 -0.077 0.000) 0.077 7.994 ( 0.000 10.343 0.000) 10.343 8.079 ( 0.000 -3.175 0.000) 3.175 8.182 ( 0.000 0.099 0.000) 0.099 8.592 ( 0.000 10.907 0.000) 10.907 8.781 ( 0.000 1.624 0.000) 1.624 8.800 ( 0.000 5.530 0.000) 5.530 8.809 ( 0.000 10.741 0.000) 10.741 8.906 ( 0.000 19.120 0.000) 19.120 9.144 ( 0.000 -3.909 0.000) 3.909 9.174 ( 0.000 -11.677 0.000) 11.677 9.217 ( 0.000 -6.614 0.000) 6.614 9.264 ( 0.000 13.585 0.000) 13.585 9.343 ( 0.000 -4.391 0.000) 4.391 9.479 ( 0.000 2.198 0.000) 2.198 9.933 ( 0.000 -12.271 0.000) 12.271 10.109 ( 0.000 4.287 0.000) 4.287 10.433 ( 0.000 -10.735 0.000) 10.735 10.525 ( 0.000 -14.828 0.000) 14.828 10.676 ( 0.000 -13.225 0.000) 13.225 10.906 ( 0.000 4.513 0.000) 4.513 11.279 ( 0.000 -17.896 0.000) 17.896 11.435 ( 0.000 -0.810 0.000) 0.810 11.435 ( 0.000 -1.040 0.000) 1.040 11.438 ( 0.000 19.954 0.000) 19.954 11.687 ( 0.000 3.025 0.000) 3.025 11.809 ( 0.000 -1.930 0.000) 1.930 12.122 ( 0.000 15.434 0.000) 15.434 12.277 ( 0.000 -0.306 0.000) 0.306 12.299 ( 0.000 -14.604 0.000) 14.604 12.317 ( 0.000 3.479 0.000) 3.479 12.442 ( 0.000 -4.963 0.000) 4.963 12.503 ( 0.000 -5.459 0.000) 5.459 12.795 ( 0.000 -12.460 0.000) 12.460 13.259 ( 0.000 10.541 0.000) 10.541 13.650 ( 0.000 -6.879 0.000) 6.879 13.899 ( 0.000 4.367 0.000) 4.367 14.112 ( 0.000 -6.558 0.000) 6.558 14.545 ( 0.000 10.822 0.000) 10.822 14.827 ( 0.000 -4.625 0.000) 4.625 15.294 ( 0.000 -0.823 0.000) 0.823 15.380 ( 0.000 -3.748 0.000) 3.748 15.395 ( 0.000 10.076 0.000) 10.076 15.782 ( 0.000 -8.189 0.000) 8.189 22.396 ( 0.000 7.488 0.000) 7.488 22.655 ( 0.000 -4.456 0.000) 4.456 22.902 ( 0.000 1.328 0.000) 1.328 22.985 ( 0.000 -2.191 0.000) 2.191 23.649 ( 0.000 0.288 0.000) 0.288 23.655 ( 0.000 0.480 0.000) 0.480 23.659 ( 0.000 0.500 0.000) 0.500 23.662 ( 0.000 0.752 0.000) 0.752 23.971 ( 0.000 7.642 0.000) 7.642 23.979 ( 0.000 7.011 0.000) 7.011 24.126 ( 0.000 -1.560 0.000) 1.560 24.211 ( 0.000 -2.953 0.000) 2.953 24.630 ( 0.000 -0.512 0.000) 0.512 24.684 ( 0.000 -2.959 0.000) 2.959 24.743 ( 0.000 8.665 0.000) 8.665 25.288 ( 0.000 -13.922 0.000) 13.922 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 9.841 32.363 0.000) 33.826 2.396 ( 6.098 32.129 0.000) 32.702 3.096 ( -11.392 5.496 0.000) 12.649 3.132 ( -11.902 7.545 0.000) 14.092 3.476 ( 2.323 -14.542 0.000) 14.727 3.540 ( 5.810 7.176 0.000) 9.234 3.652 ( 8.446 -22.651 0.000) 24.174 3.719 ( 4.520 -5.569 0.000) 7.172 3.912 ( 1.101 7.744 0.000) 7.821 4.384 ( -5.387 23.016 0.000) 23.638 4.474 ( 5.600 16.179 0.000) 17.121 4.482 ( 3.154 5.867 0.000) 6.661 4.552 ( 7.097 8.589 0.000) 11.142 4.973 ( -1.539 -2.793 0.000) 3.189 5.037 ( -11.170 2.986 0.000) 11.562 5.279 ( -9.278 -2.365 0.000) 9.575 5.764 ( 3.155 1.160 0.000) 3.361 5.981 ( -3.924 5.464 0.000) 6.727 6.039 ( -1.980 -10.062 0.000) 10.255 6.151 ( -7.427 -1.504 0.000) 7.578 6.603 ( 4.047 -0.740 0.000) 4.114 6.870 ( 11.632 -10.035 0.000) 15.363 7.391 ( -14.095 4.828 0.000) 14.899 7.454 ( -8.742 1.557 0.000) 8.880 8.022 ( 4.257 0.025 0.000) 4.257 8.031 ( 3.950 10.225 0.000) 10.962 8.105 ( 2.755 -2.836 0.000) 3.953 8.290 ( 6.374 -3.030 0.000) 7.058 8.634 ( 4.682 9.626 0.000) 10.704 8.701 ( -1.689 8.383 0.000) 8.551 8.838 ( 1.579 5.053 0.000) 5.294 8.883 ( 0.227 16.159 0.000) 16.160 8.963 ( 7.502 7.219 0.000) 10.411 9.154 ( 1.598 -0.816 0.000) 1.794 9.177 ( -5.705 1.818 0.000) 5.987 9.232 ( -0.776 5.435 0.000) 5.490 9.246 ( 5.720 -6.482 0.000) 8.645 9.379 ( 3.378 -5.550 0.000) 6.497 9.524 ( 5.194 -0.835 0.000) 5.261 9.879 ( -5.037 -8.829 0.000) 10.165 10.110 ( -0.392 -0.104 0.000) 0.405 10.348 ( -7.028 -9.596 0.000) 11.894 10.391 ( -12.441 -14.396 0.000) 19.027 10.576 ( -8.180 -12.400 0.000) 14.855 10.985 ( 6.028 4.586 0.000) 7.574 11.293 ( 2.490 -12.256 0.000) 12.506 11.427 ( -3.480 -1.772 0.000) 3.906 11.444 ( 0.334 -1.374 0.000) 1.414 11.492 ( 4.182 13.843 0.000) 14.461 11.602 ( -2.567 5.595 0.000) 6.156 11.888 ( 3.541 -6.626 0.000) 7.513 12.014 ( -5.651 5.351 0.000) 7.783 12.243 ( -4.299 4.430 0.000) 6.173 12.285 ( -1.035 -5.327 0.000) 5.427 12.482 ( 2.063 -4.762 0.000) 5.189 12.485 ( 6.844 -8.647 0.000) 11.028 12.520 ( 9.579 1.790 0.000) 9.745 12.896 ( 10.048 -10.304 0.000) 14.393 13.263 ( -1.437 9.013 0.000) 9.127 13.631 ( -4.214 -6.837 0.000) 8.032 13.890 ( 1.603 4.853 0.000) 5.111 14.121 ( 2.348 -6.662 0.000) 7.064 14.446 ( -9.270 9.073 0.000) 12.971 14.744 ( -8.871 -6.105 0.000) 10.769 15.244 ( -0.719 4.778 0.000) 4.832 15.365 ( -2.543 10.980 0.000) 11.271 15.510 ( 8.488 -6.505 0.000) 10.694 15.786 ( -0.151 -9.072 0.000) 9.073 22.435 ( 3.998 7.505 0.000) 8.503 22.687 ( 3.256 -4.214 0.000) 5.325 22.839 ( -5.788 2.574 0.000) 6.334 22.966 ( -2.637 -2.919 0.000) 3.933 23.640 ( -0.531 0.707 0.000) 0.885 23.651 ( -0.829 0.065 0.000) 0.831 23.653 ( -0.646 0.814 0.000) 1.039 23.656 ( -0.493 0.634 0.000) 0.804 23.890 ( -4.592 12.350 0.000) 13.176 23.954 ( -2.323 7.930 0.000) 8.263 24.142 ( 1.376 -2.021 0.000) 2.445 24.214 ( -0.294 -3.274 0.000) 3.287 24.627 ( 1.043 1.513 0.000) 1.838 24.732 ( -1.169 8.125 0.000) 8.208 24.838 ( 11.728 -8.864 0.000) 14.701 25.266 ( -2.367 -14.182 0.000) 14.378 ======================= Grid point 17 (12/90) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 14.399 25.934 0.000) 29.664 2.551 ( 8.316 26.258 0.000) 27.544 2.857 ( -14.072 17.656 0.000) 22.578 2.860 ( -11.700 16.037 0.000) 19.851 3.551 ( 5.460 -16.865 0.000) 17.727 3.662 ( -3.179 -10.578 0.000) 11.046 3.719 ( 5.539 -14.627 0.000) 15.641 3.776 ( 2.569 -19.799 0.000) 19.965 4.032 ( 9.072 18.206 0.000) 20.341 4.224 ( -10.329 23.198 0.000) 25.394 4.578 ( 6.466 4.235 0.000) 7.729 4.608 ( 6.514 10.198 0.000) 12.101 4.724 ( 8.716 10.617 0.000) 13.736 4.820 ( -9.294 6.121 0.000) 11.128 4.904 ( -3.411 0.142 0.000) 3.414 5.046 ( -13.423 -1.768 0.000) 13.539 5.842 ( 5.103 0.444 0.000) 5.123 5.930 ( -1.732 -0.185 0.000) 1.742 5.994 ( -2.460 -6.121 0.000) 6.597 6.000 ( -6.090 -2.633 0.000) 6.635 6.779 ( 13.111 5.168 0.000) 14.093 7.075 ( -16.990 6.512 0.000) 18.195 7.082 ( 10.387 -7.153 0.000) 12.612 7.274 ( -9.782 -2.242 0.000) 10.036 8.094 ( 2.077 2.887 0.000) 3.557 8.097 ( 1.879 7.096 0.000) 7.341 8.202 ( 7.153 -4.648 0.000) 8.531 8.320 ( -3.428 -5.169 0.000) 6.202 8.716 ( 2.732 11.256 0.000) 11.583 8.776 ( 6.344 5.651 0.000) 8.496 8.790 ( -0.530 13.874 0.000) 13.884 8.968 ( -7.992 6.006 0.000) 9.997 8.983 ( 6.814 4.121 0.000) 7.963 9.085 ( -3.064 4.222 0.000) 5.217 9.191 ( 1.484 9.687 0.000) 9.800 9.210 ( -1.172 11.614 0.000) 11.673 9.364 ( 6.544 -3.215 0.000) 7.291 9.446 ( 0.526 -7.180 0.000) 7.199 9.680 ( 9.686 -7.931 0.000) 12.519 9.794 ( -2.414 -11.705 0.000) 11.952 10.047 ( -4.842 -1.433 0.000) 5.049 10.129 ( -12.518 -10.566 0.000) 16.381 10.288 ( 2.688 -12.006 0.000) 12.304 10.407 ( -8.462 -13.219 0.000) 15.695 11.117 ( 7.795 5.941 0.000) 9.801 11.283 ( -9.125 4.157 0.000) 10.027 11.372 ( 4.770 -9.800 0.000) 10.899 11.439 ( -1.693 -5.788 0.000) 6.030 11.563 ( 2.958 9.856 0.000) 10.290 11.598 ( -0.410 5.154 0.000) 5.170 11.910 ( 0.061 -5.410 0.000) 5.410 11.935 ( -2.702 -0.512 0.000) 2.750 12.216 ( 1.224 1.183 0.000) 1.702 12.254 ( -2.092 -3.679 0.000) 4.232 12.500 ( 0.266 -6.798 0.000) 6.804 12.502 ( 0.249 -5.556 0.000) 5.562 12.841 ( 17.347 3.315 0.000) 17.661 13.135 ( -12.054 5.844 0.000) 13.396 13.152 ( 15.607 -7.360 0.000) 17.256 13.448 ( -13.834 -6.036 0.000) 15.093 14.009 ( 9.897 4.917 0.000) 11.051 14.230 ( -12.251 6.646 0.000) 13.937 14.255 ( 11.457 -6.601 0.000) 13.222 14.513 ( -14.010 -6.862 0.000) 15.600 15.267 ( 2.284 9.324 0.000) 9.600 15.315 ( -2.591 11.200 0.000) 11.496 15.659 ( 6.626 -8.658 0.000) 10.902 15.755 ( -3.304 -9.641 0.000) 10.192 22.545 ( 7.263 7.029 0.000) 10.107 22.699 ( -8.266 5.119 0.000) 9.723 22.772 ( 5.390 -3.622 0.000) 6.494 22.882 ( -5.587 -3.188 0.000) 6.432 23.629 ( -0.336 1.972 0.000) 2.000 23.636 ( -0.870 1.640 0.000) 1.856 23.640 ( 0.016 0.427 0.000) 0.427 23.646 ( -0.501 0.449 0.000) 0.673 23.861 ( 1.035 12.266 0.000) 12.309 23.902 ( -2.752 9.979 0.000) 10.352 24.171 ( 1.547 -2.876 0.000) 3.266 24.198 ( -1.237 -3.362 0.000) 3.582 24.660 ( 2.103 4.154 0.000) 4.656 24.701 ( -1.978 6.554 0.000) 6.846 25.050 ( 9.485 -13.552 0.000) 16.541 25.193 ( -5.446 -14.540 0.000) 15.526 ======================= Grid point 20 (13/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( 0.000 -33.171 0.000) 33.171 2.841 ( 0.000 33.171 0.000) 33.171 2.966 ( 0.000 -24.647 0.000) 24.647 2.966 ( 0.000 24.647 0.000) 24.647 3.318 ( 0.000 -3.395 0.000) 3.395 3.318 ( 0.000 3.395 0.000) 3.395 3.585 ( 0.000 -0.633 0.000) 0.633 3.585 ( 0.000 0.633 0.000) 0.633 4.310 ( 0.000 -16.823 0.000) 16.823 4.310 ( 0.000 16.823 0.000) 16.823 4.693 ( 0.000 -4.027 0.000) 4.027 4.693 ( 0.000 4.027 0.000) 4.027 4.760 ( 0.000 -14.140 0.000) 14.140 4.760 ( 0.000 14.140 0.000) 14.140 5.247 ( 0.000 -9.201 0.000) 9.201 5.247 ( 0.000 9.201 0.000) 9.201 5.819 ( 0.000 -8.011 0.000) 8.011 5.819 ( 0.000 8.011 0.000) 8.011 6.198 ( 0.000 -3.962 0.000) 3.962 6.198 ( 0.000 3.962 0.000) 3.962 6.557 ( 0.000 -0.654 0.000) 0.654 6.557 ( 0.000 0.654 0.000) 0.654 7.584 ( 0.000 -1.336 0.000) 1.336 7.584 ( 0.000 1.336 0.000) 1.336 8.006 ( 0.000 -2.901 0.000) 2.901 8.006 ( 0.000 2.901 0.000) 2.901 8.148 ( 0.000 -4.050 0.000) 4.050 8.148 ( 0.000 4.050 0.000) 4.050 8.802 ( 0.000 -7.490 0.000) 7.490 8.802 ( 0.000 7.490 0.000) 7.490 8.856 ( 0.000 -4.321 0.000) 4.321 8.856 ( 0.000 4.321 0.000) 4.321 9.038 ( 0.000 -0.835 0.000) 0.835 9.038 ( 0.000 0.835 0.000) 0.835 9.230 ( 0.000 -5.838 0.000) 5.838 9.230 ( 0.000 5.838 0.000) 5.838 9.354 ( 0.000 -15.927 0.000) 15.927 9.354 ( 0.000 15.927 0.000) 15.927 9.601 ( 0.000 -17.745 0.000) 17.745 9.601 ( 0.000 17.745 0.000) 17.745 10.236 ( 0.000 -7.735 0.000) 7.735 10.236 ( 0.000 7.735 0.000) 7.735 10.416 ( 0.000 -7.107 0.000) 7.107 10.416 ( 0.000 7.107 0.000) 7.107 11.019 ( 0.000 -7.594 0.000) 7.594 11.019 ( 0.000 7.594 0.000) 7.594 11.425 ( 0.000 -0.036 0.000) 0.036 11.425 ( 0.000 0.036 0.000) 0.036 11.755 ( 0.000 -3.135 0.000) 3.135 11.755 ( 0.000 3.135 0.000) 3.135 11.883 ( 0.000 -21.129 0.000) 21.129 11.883 ( 0.000 21.129 0.000) 21.129 12.342 ( 0.000 -0.937 0.000) 0.937 12.342 ( 0.000 0.937 0.000) 0.937 12.372 ( 0.000 -2.329 0.000) 2.329 12.372 ( 0.000 2.329 0.000) 2.329 12.512 ( 0.000 -12.120 0.000) 12.120 12.512 ( 0.000 12.120 0.000) 12.120 13.475 ( 0.000 -9.610 0.000) 9.610 13.475 ( 0.000 9.610 0.000) 9.610 13.993 ( 0.000 -4.870 0.000) 4.870 13.993 ( 0.000 4.870 0.000) 4.870 14.721 ( 0.000 -6.142 0.000) 6.142 14.721 ( 0.000 6.142 0.000) 6.142 15.310 ( 0.000 -2.396 0.000) 2.396 15.310 ( 0.000 2.396 0.000) 2.396 15.598 ( 0.000 -9.240 0.000) 9.240 15.598 ( 0.000 9.240 0.000) 9.240 22.542 ( 0.000 -6.247 0.000) 6.247 22.542 ( 0.000 6.247 0.000) 6.247 22.939 ( 0.000 -2.095 0.000) 2.095 22.939 ( 0.000 2.095 0.000) 2.095 23.655 ( 0.000 -0.239 0.000) 0.239 23.655 ( 0.000 0.239 0.000) 0.239 23.666 ( 0.000 -0.168 0.000) 0.168 23.666 ( 0.000 0.168 0.000) 0.168 24.081 ( 0.000 -3.049 0.000) 3.049 24.081 ( 0.000 3.049 0.000) 3.049 24.119 ( 0.000 -5.906 0.000) 5.906 24.119 ( 0.000 5.906 0.000) 5.906 24.637 ( 0.000 -1.321 0.000) 1.321 24.637 ( 0.000 1.321 0.000) 1.321 24.989 ( 0.000 -13.863 0.000) 13.863 24.989 ( 0.000 13.863 0.000) 13.863 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( 3.674 -28.823 0.000) 29.056 2.878 ( 3.674 28.823 0.000) 29.056 3.003 ( 3.192 -23.026 0.000) 23.246 3.003 ( 3.192 23.026 0.000) 23.246 3.338 ( 1.782 -8.393 0.000) 8.580 3.338 ( 1.782 8.393 0.000) 8.580 3.524 ( -5.519 -6.143 0.000) 8.258 3.524 ( -5.519 6.143 0.000) 8.258 4.345 ( 3.814 -16.431 0.000) 16.867 4.345 ( 3.814 16.431 0.000) 16.867 4.698 ( 0.094 -1.901 0.000) 1.903 4.698 ( 0.094 1.901 0.000) 1.903 4.803 ( 3.738 -11.607 0.000) 12.194 4.803 ( 3.738 11.607 0.000) 12.194 5.112 ( -11.719 -9.632 0.000) 15.169 5.112 ( -11.719 9.632 0.000) 15.169 5.850 ( 2.286 -6.733 0.000) 7.110 5.850 ( 2.286 6.733 0.000) 7.110 6.092 ( -8.272 -4.239 0.000) 9.295 6.092 ( -8.272 4.239 0.000) 9.295 6.682 ( 10.725 -7.392 0.000) 13.026 6.682 ( 10.725 7.392 0.000) 13.026 7.462 ( -11.303 -1.460 0.000) 11.397 7.462 ( -11.303 1.460 0.000) 11.397 8.045 ( 3.802 -2.348 0.000) 4.469 8.045 ( 3.802 2.348 0.000) 4.469 8.198 ( 3.423 -5.824 0.000) 6.755 8.198 ( 3.423 5.824 0.000) 6.755 8.812 ( 1.497 -6.389 0.000) 6.562 8.812 ( 1.497 6.389 0.000) 6.562 8.897 ( 3.332 -9.833 0.000) 10.383 8.897 ( 3.332 9.833 0.000) 10.383 9.107 ( 6.259 -3.540 0.000) 7.191 9.107 ( 6.259 3.540 0.000) 7.191 9.227 ( -0.140 -6.204 0.000) 6.206 9.227 ( -0.140 6.204 0.000) 6.206 9.366 ( 1.517 -14.991 0.000) 15.068 9.366 ( 1.517 14.991 0.000) 15.068 9.584 ( -1.662 -17.505 0.000) 17.583 9.584 ( -1.662 17.505 0.000) 17.583 10.176 ( -5.461 -6.056 0.000) 8.154 10.176 ( -5.461 6.056 0.000) 8.154 10.313 ( -9.238 -8.448 0.000) 12.518 10.313 ( -9.238 8.448 0.000) 12.518 11.081 ( 5.650 -6.458 0.000) 8.580 11.081 ( 5.650 6.458 0.000) 8.580 11.415 ( -1.697 -0.764 0.000) 1.861 11.415 ( -1.697 0.764 0.000) 1.861 11.744 ( -0.522 -7.108 0.000) 7.127 11.744 ( -0.522 7.108 0.000) 7.127 11.861 ( -2.127 -17.098 0.000) 17.230 11.861 ( -2.127 17.098 0.000) 17.230 12.316 ( -0.978 -7.456 0.000) 7.520 12.316 ( -0.978 7.456 0.000) 7.520 12.362 ( -0.953 -6.241 0.000) 6.313 12.362 ( -0.953 6.241 0.000) 6.313 12.670 ( 13.843 -10.315 0.000) 17.264 12.670 ( 13.843 10.315 0.000) 17.264 13.461 ( -3.300 -9.185 0.000) 9.760 13.461 ( -3.300 9.185 0.000) 9.760 13.996 ( 2.008 -5.361 0.000) 5.725 13.996 ( 2.008 5.361 0.000) 5.725 14.610 ( -10.338 -6.874 0.000) 12.415 14.610 ( -10.338 6.874 0.000) 12.415 15.368 ( 4.990 -6.709 0.000) 8.361 15.368 ( 4.990 6.709 0.000) 8.361 15.586 ( -1.341 -10.008 0.000) 10.097 15.586 ( -1.341 10.008 0.000) 10.097 22.579 ( 3.697 -6.072 0.000) 7.109 22.579 ( 3.697 6.072 0.000) 7.109 22.901 ( -3.865 -3.147 0.000) 4.984 22.901 ( -3.865 3.147 0.000) 4.984 23.649 ( -0.466 -0.249 0.000) 0.528 23.649 ( -0.466 0.249 0.000) 0.528 23.661 ( -0.481 -0.138 0.000) 0.500 23.661 ( -0.481 0.138 0.000) 0.500 24.080 ( -0.128 -4.152 0.000) 4.154 24.080 ( -0.128 4.152 0.000) 4.154 24.103 ( -1.297 -7.673 0.000) 7.782 24.103 ( -1.297 7.673 0.000) 7.782 24.692 ( 5.127 -4.940 0.000) 7.120 24.692 ( 5.127 4.940 0.000) 7.120 24.967 ( -2.244 -13.560 0.000) 13.744 24.967 ( -2.244 13.560 0.000) 13.744 ======================= Grid point 24 (15/90) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( 5.345 -17.742 0.000) 18.530 2.970 ( 5.345 17.742 0.000) 18.530 3.040 ( -0.736 -13.317 0.000) 13.337 3.040 ( -0.736 13.317 0.000) 13.337 3.373 ( 1.709 -13.317 0.000) 13.427 3.373 ( 1.709 13.317 0.000) 13.427 3.421 ( -4.051 -6.605 0.000) 7.748 3.421 ( -4.051 6.605 0.000) 7.748 4.465 ( 8.670 -15.257 0.000) 17.549 4.465 ( 8.670 15.257 0.000) 17.549 4.644 ( -7.499 -11.340 0.000) 13.595 4.644 ( -7.499 11.340 0.000) 13.595 4.866 ( 2.315 -3.665 0.000) 4.335 4.866 ( 2.315 3.665 0.000) 4.335 4.918 ( -5.512 -7.101 0.000) 8.989 4.918 ( -5.512 7.101 0.000) 8.989 5.889 ( 1.998 -3.711 0.000) 4.215 5.889 ( 1.998 3.711 0.000) 4.215 5.953 ( -5.343 -1.786 0.000) 5.633 5.953 ( -5.343 1.786 0.000) 5.633 6.923 ( 13.943 -7.833 0.000) 15.993 6.923 ( 13.943 7.833 0.000) 15.993 7.203 ( -14.697 -5.033 0.000) 15.535 7.203 ( -14.697 5.033 0.000) 15.535 8.137 ( 5.239 -1.938 0.000) 5.586 8.137 ( 5.239 1.938 0.000) 5.586 8.216 ( -2.089 -4.764 0.000) 5.202 8.216 ( -2.089 4.764 0.000) 5.202 8.871 ( 4.231 -2.804 0.000) 5.076 8.871 ( 4.231 2.804 0.000) 5.076 8.931 ( -0.874 -7.873 0.000) 7.921 8.931 ( -0.874 7.873 0.000) 7.921 9.214 ( 3.260 -11.335 0.000) 11.795 9.214 ( 3.260 11.335 0.000) 11.795 9.232 ( 0.449 -10.429 0.000) 10.439 9.232 ( 0.449 10.429 0.000) 10.439 9.433 ( 5.619 -11.958 0.000) 13.213 9.433 ( 5.619 11.958 0.000) 13.213 9.535 ( -3.863 -14.576 0.000) 15.080 9.535 ( -3.863 14.576 0.000) 15.080 10.081 ( -2.495 -5.795 0.000) 6.309 10.081 ( -2.495 5.795 0.000) 6.309 10.133 ( -7.606 -10.030 0.000) 12.587 10.133 ( -7.606 10.030 0.000) 12.587 11.209 ( 7.208 -5.090 0.000) 8.824 11.209 ( 7.208 5.090 0.000) 8.824 11.341 ( -5.900 -3.121 0.000) 6.675 11.341 ( -5.900 3.121 0.000) 6.675 11.759 ( 2.093 -8.709 0.000) 8.957 11.759 ( 2.093 8.709 0.000) 8.957 11.811 ( -2.916 -11.333 0.000) 11.702 11.811 ( -2.916 11.333 0.000) 11.702 12.316 ( 0.830 -8.454 0.000) 8.494 12.316 ( 0.830 8.454 0.000) 8.494 12.339 ( -1.343 -8.550 0.000) 8.655 12.339 ( -1.343 8.550 0.000) 8.655 12.982 ( 17.400 -8.365 0.000) 19.306 12.982 ( 17.400 8.365 0.000) 19.306 13.293 ( -13.736 -8.177 0.000) 15.986 13.293 ( -13.736 8.177 0.000) 15.986 14.123 ( 10.921 -5.923 0.000) 12.424 14.123 ( 10.921 5.923 0.000) 12.424 14.370 ( -13.655 -6.733 0.000) 15.225 14.370 ( -13.655 6.733 0.000) 15.225 15.467 ( 4.815 -9.490 0.000) 10.641 15.467 ( 4.815 9.490 0.000) 10.641 15.544 ( -3.088 -10.522 0.000) 10.966 15.544 ( -3.088 10.522 0.000) 10.966 22.676 ( 6.131 -5.465 0.000) 8.214 22.676 ( 6.131 5.465 0.000) 8.214 22.800 ( -6.277 -4.450 0.000) 7.694 22.800 ( -6.277 4.450 0.000) 7.694 23.644 ( 0.026 -0.120 0.000) 0.123 23.644 ( 0.026 0.120 0.000) 0.123 23.650 ( -0.547 -0.123 0.000) 0.560 23.650 ( -0.547 0.123 0.000) 0.560 24.078 ( -0.008 -6.277 0.000) 6.277 24.078 ( -0.008 6.277 0.000) 6.277 24.083 ( -0.624 -8.003 0.000) 8.027 24.083 ( -0.624 8.003 0.000) 8.027 24.804 ( 5.864 -9.554 0.000) 11.210 24.804 ( 5.864 9.554 0.000) 11.210 24.904 ( -4.356 -12.360 0.000) 13.105 24.904 ( -4.356 12.360 0.000) 13.105 ======================= Grid point 45 (16/90) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 0.000 0.000 33.826) 33.826 0.816 ( 0.000 0.000 39.247) 39.247 1.495 ( 0.000 0.000 71.287) 71.287 2.512 ( 0.000 0.000 4.283) 4.283 3.205 ( 0.000 0.000 12.700) 12.700 3.321 ( 0.000 0.000 -1.530) 1.530 3.709 ( 0.000 0.000 -3.317) 3.317 3.843 ( 0.000 0.000 10.374) 10.374 3.988 ( 0.000 0.000 -3.243) 3.243 4.031 ( 0.000 0.000 6.045) 6.045 4.229 ( 0.000 0.000 -6.380) 6.380 4.462 ( 0.000 0.000 5.857) 5.857 4.465 ( 0.000 0.000 3.789) 3.789 4.499 ( 0.000 0.000 -5.173) 5.173 4.801 ( 0.000 0.000 0.945) 0.945 5.089 ( 0.000 0.000 0.317) 0.317 5.847 ( 0.000 0.000 -0.394) 0.394 5.925 ( 0.000 0.000 2.464) 2.464 5.993 ( 0.000 0.000 -1.096) 1.096 6.007 ( 0.000 0.000 -3.620) 3.620 7.084 ( 0.000 0.000 -4.490) 4.490 7.279 ( 0.000 0.000 -4.577) 4.577 7.413 ( 0.000 0.000 -11.195) 11.195 7.517 ( 0.000 0.000 -13.284) 13.284 7.726 ( 0.000 0.000 1.482) 1.482 7.729 ( 0.000 0.000 -6.569) 6.569 7.854 ( 0.000 0.000 -6.051) 6.051 7.974 ( 0.000 0.000 1.015) 1.015 8.178 ( 0.000 0.000 -5.502) 5.502 8.293 ( 0.000 0.000 14.416) 14.416 8.435 ( 0.000 0.000 -1.364) 1.364 8.497 ( 0.000 0.000 1.528) 1.528 8.564 ( 0.000 0.000 8.749) 8.749 8.906 ( 0.000 0.000 5.458) 5.458 9.170 ( 0.000 0.000 -18.640) 18.640 9.478 ( 0.000 0.000 -1.629) 1.629 9.515 ( 0.000 0.000 -14.316) 14.316 9.724 ( 0.000 0.000 4.254) 4.254 9.862 ( 0.000 0.000 0.016) 0.016 9.864 ( 0.000 0.000 5.753) 5.753 10.119 ( 0.000 0.000 6.027) 6.027 10.183 ( 0.000 0.000 -0.605) 0.605 10.207 ( 0.000 0.000 -3.626) 3.626 10.913 ( 0.000 0.000 3.541) 3.541 10.925 ( 0.000 0.000 -0.746) 0.746 11.275 ( 0.000 0.000 -1.450) 1.450 11.459 ( 0.000 0.000 6.197) 6.197 11.537 ( 0.000 0.000 -19.588) 19.588 11.668 ( 0.000 0.000 4.792) 4.792 11.810 ( 0.000 0.000 -5.322) 5.322 11.888 ( 0.000 0.000 -0.768) 0.768 12.254 ( 0.000 0.000 -8.686) 8.686 12.333 ( 0.000 0.000 8.912) 8.912 12.583 ( 0.000 0.000 -9.933) 9.933 12.725 ( 0.000 0.000 -9.024) 9.024 12.752 ( 0.000 0.000 -0.472) 0.472 12.816 ( 0.000 0.000 -12.160) 12.160 12.940 ( 0.000 0.000 7.408) 7.408 13.211 ( 0.000 0.000 6.427) 6.427 13.382 ( 0.000 0.000 3.919) 3.919 13.620 ( 0.000 0.000 4.467) 4.467 13.843 ( 0.000 0.000 -0.296) 0.296 14.602 ( 0.000 0.000 -5.156) 5.156 14.922 ( 0.000 0.000 6.444) 6.444 15.102 ( 0.000 0.000 1.321) 1.321 15.556 ( 0.000 0.000 5.008) 5.008 16.002 ( 0.000 0.000 -7.414) 7.414 16.836 ( 0.000 0.000 0.100) 0.100 22.036 ( 0.000 0.000 1.086) 1.086 22.092 ( 0.000 0.000 2.000) 2.000 22.779 ( 0.000 0.000 -2.840) 2.840 22.890 ( 0.000 0.000 -2.012) 2.012 23.077 ( 0.000 0.000 1.047) 1.047 23.358 ( 0.000 0.000 0.916) 0.916 23.444 ( 0.000 0.000 -0.219) 0.219 23.703 ( 0.000 0.000 5.532) 5.532 23.736 ( 0.000 0.000 1.053) 1.053 23.779 ( 0.000 0.000 2.884) 2.884 23.838 ( 0.000 0.000 4.986) 4.986 24.277 ( 0.000 0.000 0.318) 0.318 24.569 ( 0.000 0.000 -2.367) 2.367 24.809 ( 0.000 0.000 8.670) 8.670 25.546 ( 0.000 0.000 -7.356) 7.356 26.172 ( 0.000 0.000 -3.301) 3.301 ======================= Grid point 46 (17/90) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 26.235 0.000 22.691) 34.687 1.193 ( 29.603 0.000 28.962) 41.415 1.844 ( 33.778 0.000 54.582) 64.188 2.385 ( -12.662 0.000 5.150) 13.669 2.914 ( -23.619 0.000 15.740) 28.383 3.409 ( 7.866 0.000 -1.615) 8.031 3.690 ( -1.763 0.000 -2.729) 3.249 3.937 ( -2.685 0.000 -1.284) 2.976 4.021 ( 4.187 0.000 2.802) 5.038 4.077 ( 1.707 0.000 1.732) 2.432 4.215 ( -0.721 0.000 -4.730) 4.784 4.225 ( -13.062 0.000 12.607) 18.154 4.427 ( -3.641 0.000 4.052) 5.447 4.578 ( 7.018 0.000 -3.991) 8.074 4.804 ( 0.135 0.000 1.883) 1.888 5.097 ( -1.751 0.000 -2.069) 2.711 5.869 ( 2.148 0.000 -0.440) 2.193 5.987 ( -0.727 0.000 -0.999) 1.235 6.031 ( 3.860 0.000 -5.354) 6.601 6.187 ( 12.836 0.000 -9.141) 15.758 7.030 ( -13.742 0.000 -3.756) 14.246 7.133 ( 5.040 0.000 -4.621) 6.838 7.246 ( -24.946 0.000 -5.631) 25.574 7.538 ( 1.489 0.000 -12.832) 12.918 7.667 ( -5.448 0.000 -6.312) 8.338 7.755 ( 16.427 0.000 -5.890) 17.451 7.827 ( -3.042 0.000 -7.291) 7.900 8.038 ( 1.966 0.000 -4.573) 4.978 8.291 ( 0.240 0.000 11.109) 11.111 8.412 ( -2.039 0.000 -1.770) 2.700 8.505 ( 16.904 0.000 2.507) 17.089 8.538 ( 3.695 0.000 4.762) 6.028 8.555 ( 5.617 0.000 3.207) 6.468 8.852 ( -4.999 0.000 7.204) 8.768 9.089 ( -9.912 0.000 -16.335) 19.107 9.370 ( -4.306 0.000 -6.865) 8.104 9.581 ( 3.449 0.000 -4.187) 5.425 9.747 ( -5.882 0.000 11.667) 13.066 9.762 ( 3.071 0.000 3.671) 4.787 9.858 ( -0.474 0.000 0.336) 0.581 10.214 ( 7.125 0.000 5.431) 8.959 10.301 ( 9.538 0.000 -4.331) 10.475 10.334 ( 11.052 0.000 -1.563) 11.162 10.946 ( 2.014 0.000 -1.092) 2.291 10.961 ( -0.259 0.000 -0.336) 0.424 11.147 ( -11.957 0.000 -3.531) 12.468 11.293 ( -8.081 0.000 -0.814) 8.122 11.452 ( -17.302 0.000 -3.005) 17.561 11.718 ( 0.018 0.000 2.499) 2.499 11.766 ( 14.186 0.000 -9.301) 16.964 12.027 ( 6.202 0.000 -3.371) 7.059 12.268 ( -0.790 0.000 -10.107) 10.138 12.385 ( 4.001 0.000 6.659) 7.769 12.586 ( -9.146 0.000 -10.855) 14.194 12.591 ( -8.839 0.000 -6.715) 11.100 12.766 ( -1.796 0.000 0.639) 1.906 12.831 ( 11.158 0.000 -6.941) 13.141 13.076 ( 5.856 0.000 -3.225) 6.686 13.277 ( 5.893 0.000 4.733) 7.559 13.521 ( 12.432 0.000 -2.880) 12.761 13.593 ( -2.767 0.000 4.280) 5.097 13.837 ( -0.711 0.000 -0.014) 0.711 14.611 ( 1.463 0.000 -1.532) 2.118 14.876 ( -2.258 0.000 8.383) 8.682 15.060 ( -4.264 0.000 1.605) 4.556 15.471 ( -15.912 0.000 9.894) 18.737 15.890 ( 0.843 0.000 4.558) 4.636 16.521 ( -16.229 0.000 8.348) 18.251 22.041 ( 0.471 0.000 1.156) 1.248 22.086 ( -0.600 0.000 1.889) 1.982 22.790 ( 1.132 0.000 -2.738) 2.963 22.880 ( -1.008 0.000 -2.073) 2.305 23.097 ( 2.540 0.000 0.761) 2.651 23.333 ( -2.728 0.000 1.168) 2.968 23.568 ( 5.253 0.000 -0.993) 5.346 23.688 ( -1.621 0.000 3.475) 3.834 23.717 ( 0.519 0.000 5.752) 5.775 23.797 ( -1.119 0.000 5.635) 5.745 23.984 ( 11.838 0.000 -8.475) 14.559 24.269 ( -0.852 0.000 -0.012) 0.852 24.577 ( 1.020 0.000 -2.095) 2.330 24.754 ( -4.301 0.000 7.890) 8.986 25.627 ( 6.439 0.000 -8.659) 10.791 26.036 ( -9.500 0.000 1.538) 9.623 ======================= Grid point 47 (18/90) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 28.228 0.000 12.992) 31.075 1.779 ( 30.665 0.000 25.047) 39.593 2.047 ( -22.135 0.000 7.880) 23.496 2.331 ( -21.106 0.000 23.375) 31.494 2.705 ( 36.788 0.000 26.692) 45.451 3.501 ( -39.105 0.000 14.863) 41.835 3.562 ( 6.655 0.000 -1.526) 6.828 3.647 ( -2.797 0.000 -1.757) 3.303 3.931 ( 2.861 0.000 -2.840) 4.032 4.031 ( -5.798 0.000 -3.876) 6.974 4.250 ( 4.141 0.000 1.769) 4.503 4.341 ( -4.912 0.000 3.708) 6.154 4.455 ( 17.552 0.000 2.708) 17.760 4.675 ( -1.794 0.000 -2.279) 2.900 4.819 ( 3.763 0.000 2.724) 4.645 4.969 ( -9.989 0.000 -1.977) 10.183 5.919 ( 2.688 0.000 -0.575) 2.749 5.963 ( -1.804 0.000 -0.782) 1.967 6.147 ( 7.539 0.000 -5.076) 9.088 6.270 ( -3.095 0.000 -5.462) 6.278 6.835 ( -5.195 0.000 -3.179) 6.090 6.883 ( -10.682 0.000 -4.905) 11.754 7.272 ( 9.112 0.000 -5.030) 10.408 7.460 ( -9.445 0.000 -6.383) 11.399 7.649 ( 4.010 0.000 -11.000) 11.708 7.744 ( -5.146 0.000 -9.889) 11.148 8.015 ( 8.556 0.000 -3.248) 9.152 8.080 ( 1.073 0.000 -4.806) 4.924 8.314 ( 2.132 0.000 5.515) 5.913 8.364 ( -2.780 0.000 0.778) 2.887 8.581 ( 7.303 0.000 -10.129) 12.487 8.628 ( 5.501 0.000 7.945) 9.663 8.741 ( -6.085 0.000 8.866) 10.754 8.793 ( -9.134 0.000 -15.369) 17.878 8.973 ( 12.686 0.000 0.821) 12.713 9.232 ( -10.807 0.000 0.153) 10.808 9.651 ( 2.910 0.000 2.667) 3.948 9.689 ( -1.327 0.000 10.654) 10.736 9.814 ( 2.074 0.000 2.463) 3.220 9.843 ( -1.091 0.000 1.222) 1.638 10.375 ( 9.971 0.000 -0.387) 9.978 10.506 ( 1.686 0.000 -0.878) 1.900 10.548 ( 15.241 0.000 -5.332) 16.146 10.849 ( -15.004 0.000 -6.096) 16.195 10.915 ( 2.116 0.000 3.993) 4.519 11.037 ( 4.135 0.000 0.755) 4.203 11.128 ( -15.859 0.000 -2.356) 16.033 11.149 ( -6.954 0.000 0.423) 6.966 11.814 ( 9.021 0.000 -0.886) 9.064 12.007 ( -8.707 0.000 -2.199) 8.980 12.042 ( 14.358 0.000 -8.418) 16.644 12.295 ( 5.169 0.000 -10.769) 11.946 12.305 ( -12.189 0.000 -7.011) 14.061 12.419 ( -7.306 0.000 -8.092) 10.903 12.569 ( 6.097 0.000 4.556) 7.611 12.691 ( -5.612 0.000 3.522) 6.626 13.023 ( 7.654 0.000 -7.262) 10.551 13.113 ( -1.616 0.000 -6.164) 6.373 13.402 ( 6.567 0.000 3.677) 7.527 13.516 ( -5.102 0.000 3.855) 6.395 13.727 ( 7.245 0.000 -3.653) 8.114 13.810 ( -2.300 0.000 -0.511) 2.356 14.698 ( 7.993 0.000 2.479) 8.369 14.853 ( -4.147 0.000 3.589) 5.484 14.982 ( 0.213 0.000 6.544) 6.547 15.132 ( -14.087 0.000 12.370) 18.748 16.050 ( 11.505 0.000 1.543) 11.608 16.275 ( -11.599 0.000 1.984) 11.767 22.054 ( 0.815 0.000 1.352) 1.579 22.071 ( -0.894 0.000 1.629) 1.858 22.819 ( 1.758 0.000 -2.498) 3.055 22.853 ( -1.682 0.000 -2.248) 2.808 23.168 ( 4.572 0.000 0.756) 4.634 23.260 ( -4.609 0.000 1.035) 4.723 23.626 ( 1.902 0.000 1.892) 2.683 23.658 ( -1.531 0.000 2.935) 3.310 23.737 ( 1.400 0.000 6.042) 6.202 23.768 ( -1.668 0.000 6.058) 6.283 24.158 ( 6.185 0.000 -5.296) 8.142 24.238 ( -2.613 0.000 -1.495) 3.010 24.612 ( 2.572 0.000 -0.260) 2.585 24.674 ( -3.805 0.000 3.704) 5.310 25.752 ( 6.383 0.000 -5.894) 8.688 25.878 ( -7.068 0.000 -1.410) 7.207 ======================= Grid point 50 (19/90) ======================= q-point: ( 0.00 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 0.000 25.237 26.550) 36.631 1.323 ( 0.000 32.157 29.685) 43.764 1.793 ( 0.000 34.371 48.602) 59.527 2.728 ( 0.000 18.610 4.345) 19.110 3.199 ( 0.000 1.396 9.601) 9.702 3.495 ( 0.000 14.676 -2.703) 14.923 3.768 ( 0.000 -4.776 6.434) 8.013 3.795 ( 0.000 5.134 -0.237) 5.140 4.036 ( 0.000 1.968 9.425) 9.628 4.096 ( 0.000 6.428 -2.451) 6.879 4.163 ( 0.000 -3.137 6.104) 6.863 4.426 ( 0.000 -6.842 -3.938) 7.894 4.526 ( 0.000 12.061 -2.755) 12.372 4.642 ( 0.000 -9.193 3.181) 9.728 4.740 ( 0.000 11.833 2.902) 12.184 5.122 ( 0.000 3.464 -2.269) 4.141 5.825 ( 0.000 -2.285 -1.085) 2.530 5.916 ( 0.000 -0.687 2.638) 2.726 5.994 ( 0.000 2.075 -7.953) 8.219 6.164 ( 0.000 9.138 -0.080) 9.139 7.073 ( 0.000 -6.048 -10.790) 12.370 7.088 ( 0.000 -13.019 -3.666) 13.526 7.379 ( 0.000 3.150 0.697) 3.226 7.609 ( 0.000 -4.091 -9.683) 10.512 7.650 ( 0.000 -1.439 -4.982) 5.185 7.801 ( 0.000 3.870 -7.440) 8.386 7.848 ( 0.000 4.469 -5.839) 7.353 8.108 ( 0.000 5.868 -0.186) 5.871 8.188 ( 0.000 6.428 -8.120) 10.356 8.373 ( 0.000 3.576 7.023) 7.881 8.481 ( 0.000 2.067 4.521) 4.971 8.484 ( 0.000 3.849 -2.581) 4.634 8.768 ( 0.000 13.145 4.656) 13.945 8.891 ( 0.000 -1.093 5.325) 5.436 9.178 ( 0.000 0.678 -17.064) 17.077 9.296 ( 0.000 -10.100 -5.313) 11.412 9.444 ( 0.000 -3.067 -2.308) 3.838 9.720 ( 0.000 -3.851 4.855) 6.197 9.734 ( 0.000 -7.867 2.979) 8.412 10.013 ( 0.000 2.145 -0.673) 2.249 10.161 ( 0.000 -2.053 -1.147) 2.351 10.340 ( 0.000 15.952 3.319) 16.293 10.419 ( 0.000 16.418 -19.986) 25.865 10.847 ( 0.000 -5.663 3.577) 6.698 10.937 ( 0.000 0.028 -1.546) 1.546 11.198 ( 0.000 -6.948 -2.658) 7.439 11.433 ( 0.000 -7.708 -16.673) 18.368 11.463 ( 0.000 1.145 4.358) 4.506 11.752 ( 0.000 6.477 7.017) 9.549 11.834 ( 0.000 -2.176 -3.766) 4.349 11.886 ( 0.000 0.199 0.843) 0.866 12.118 ( 0.000 -7.114 -0.964) 7.179 12.229 ( 0.000 -15.655 4.666) 16.335 12.310 ( 0.000 -1.934 7.004) 7.266 12.625 ( 0.000 -8.288 -12.032) 14.610 12.756 ( 0.000 -4.915 -6.064) 7.805 12.836 ( 0.000 -1.817 -1.219) 2.188 12.958 ( 0.000 2.222 4.336) 4.872 13.193 ( 0.000 -2.121 6.690) 7.018 13.673 ( 0.000 4.044 1.887) 4.462 13.728 ( 0.000 22.746 -7.932) 24.089 13.828 ( 0.000 -1.267 -0.070) 1.269 14.516 ( 0.000 -7.883 -0.868) 7.930 14.987 ( 0.000 6.135 3.824) 7.229 15.062 ( 0.000 -3.665 1.635) 4.013 15.533 ( 0.000 -2.223 3.909) 4.497 15.970 ( 0.000 -3.030 -6.758) 7.406 16.020 ( 0.000 -37.687 32.059) 49.478 22.133 ( 0.000 4.456 1.531) 4.711 22.771 ( 0.000 -0.754 -1.397) 1.587 22.881 ( 0.000 -0.583 -1.647) 1.747 22.933 ( 0.000 42.309 -37.551) 56.569 23.072 ( 0.000 0.979 -0.343) 1.038 23.437 ( 0.000 7.007 -0.372) 7.017 23.499 ( 0.000 4.769 -0.817) 4.839 23.705 ( 0.000 0.177 5.726) 5.729 23.742 ( 0.000 0.744 -0.566) 0.935 23.784 ( 0.000 0.527 2.657) 2.708 23.842 ( 0.000 0.557 4.958) 4.989 24.278 ( 0.000 0.120 0.479) 0.494 24.575 ( 0.000 0.787 -1.726) 1.897 24.787 ( 0.000 -1.997 8.044) 8.288 25.382 ( 0.000 -15.279 4.583) 15.952 25.825 ( 0.000 -17.841 8.146) 19.613 ======================= Grid point 51 (20/90) ======================= q-point: ( 0.20 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 17.751 21.753 22.049) 35.699 1.523 ( 18.224 22.764 30.610) 42.276 2.132 ( 30.087 29.214 35.398) 54.879 2.601 ( -12.354 18.251 5.965) 22.832 2.945 ( -21.439 3.710 13.899) 25.818 3.577 ( 7.027 14.439 -1.964) 16.178 3.736 ( -5.997 0.781 0.419) 6.062 3.888 ( 3.860 -2.482 0.026) 4.589 3.997 ( 0.870 2.569 5.146) 5.817 4.120 ( 3.620 4.911 1.766) 6.351 4.222 ( 3.516 0.241 7.825) 8.582 4.385 ( -8.081 6.640 -4.642) 11.443 4.519 ( -1.843 3.283 -0.716) 3.833 4.633 ( 1.325 9.025 3.064) 9.623 4.683 ( -0.369 -7.471 3.645) 8.321 5.109 ( -3.967 1.613 -3.659) 5.633 5.834 ( 1.289 -2.877 -1.480) 3.483 5.994 ( 0.211 1.609 -4.408) 4.697 6.028 ( 7.016 -4.660 -3.030) 8.951 6.180 ( 1.706 4.521 0.404) 4.849 6.871 ( -9.799 -10.729 -5.494) 15.534 7.208 ( -1.890 0.654 -5.223) 5.593 7.265 ( -17.540 0.380 -5.628) 18.425 7.404 ( -0.416 -6.608 -2.654) 7.133 7.659 ( 3.620 -1.480 -9.627) 10.391 7.813 ( -0.499 6.332 -8.762) 10.822 7.913 ( 6.858 6.373 -6.752) 11.543 8.172 ( 1.372 9.896 -6.479) 11.908 8.328 ( 3.920 3.033 3.377) 5.997 8.437 ( -1.658 2.257 -0.369) 2.825 8.486 ( 11.926 -2.184 2.410) 12.361 8.572 ( 10.248 4.518 2.109) 11.397 8.714 ( -4.122 11.599 4.414) 13.077 8.836 ( -5.113 -0.830 4.710) 7.001 9.083 ( -8.105 -0.098 -12.309) 14.738 9.326 ( -3.087 -3.979 -7.650) 9.159 9.489 ( 7.605 -5.099 -1.658) 9.305 9.643 ( -3.100 -3.718 4.877) 6.872 9.774 ( 1.172 -5.681 2.941) 6.503 10.016 ( -2.897 9.080 1.719) 9.685 10.189 ( 5.986 -5.575 -0.285) 8.185 10.400 ( 2.759 11.186 -2.075) 11.707 10.437 ( 7.979 8.685 -1.940) 11.953 10.867 ( -2.755 -6.207 -0.671) 6.824 10.932 ( -2.268 -3.951 -3.711) 5.876 11.108 ( -5.069 -4.688 -3.728) 7.847 11.309 ( -10.190 3.815 -1.228) 10.950 11.494 ( -13.111 2.084 -1.067) 13.318 11.579 ( 7.021 -7.497 -7.075) 12.472 11.845 ( 2.375 1.976 5.568) 6.368 12.048 ( 7.934 0.688 -5.684) 9.784 12.156 ( 0.553 -8.718 -5.987) 10.590 12.356 ( 3.937 -2.678 4.933) 6.856 12.362 ( 5.836 -11.795 -1.552) 13.251 12.545 ( -4.035 -8.555 -2.884) 9.889 12.661 ( -5.402 0.195 -4.449) 7.001 12.866 ( 2.582 -3.587 -2.038) 4.867 13.038 ( 3.470 -1.486 -2.803) 4.702 13.285 ( 8.545 -1.303 6.814) 11.006 13.657 ( -1.993 5.228 2.579) 6.161 13.764 ( 3.100 16.941 -7.987) 18.984 13.819 ( -0.450 -1.209 -0.155) 1.299 14.530 ( 2.238 -7.288 1.765) 7.826 14.950 ( -2.448 6.406 5.003) 8.488 15.018 ( -4.376 -3.560 2.132) 6.030 15.380 ( -16.501 -6.973 11.333) 21.198 15.834 ( 3.623 -5.290 6.932) 9.443 16.183 ( 2.725 -18.253 4.220) 18.932 22.142 ( 1.043 5.559 1.427) 5.833 22.538 ( -19.197 25.739 -9.054) 33.361 22.788 ( 1.584 -0.307 -1.362) 2.111 22.939 ( -2.665 7.967 -4.416) 9.490 23.102 ( 4.555 1.671 -1.000) 4.954 23.407 ( -3.215 6.706 -0.221) 7.440 23.596 ( 3.654 2.362 -0.303) 4.361 23.693 ( -1.652 0.473 3.377) 3.789 23.717 ( 0.689 -0.002 5.748) 5.790 23.804 ( -1.301 0.842 5.684) 5.892 23.996 ( 11.651 1.050 -8.917) 14.709 24.271 ( -0.756 0.202 0.254) 0.823 24.581 ( 0.712 0.522 -1.595) 1.823 24.733 ( -4.094 -1.890 7.182) 8.480 25.497 ( 8.584 -12.634 -2.790) 15.527 25.801 ( -2.376 -15.049 4.959) 16.022 ======================= Grid point 52 (21/90) ======================= q-point: ( 0.40 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 26.465 14.975 14.670) 33.762 1.947 ( 23.680 14.233 26.292) 38.139 2.236 ( -20.866 15.684 7.643) 27.199 2.450 ( -24.099 10.667 19.538) 32.807 2.852 ( 33.544 15.255 21.447) 42.637 3.438 ( -23.243 1.841 10.700) 25.654 3.770 ( 8.200 14.860 -3.371) 17.303 3.878 ( -2.469 15.728 1.296) 15.974 4.004 ( 0.066 4.150 -2.480) 4.835 4.100 ( -9.809 5.201 -2.562) 11.395 4.267 ( 7.361 3.346 3.123) 8.668 4.381 ( -2.065 3.543 4.924) 6.408 4.473 ( 8.201 -0.382 1.129) 8.288 4.651 ( -4.117 -3.416 2.532) 5.919 4.763 ( 7.383 -1.746 1.391) 7.713 4.941 ( -11.479 -1.438 -2.982) 11.947 5.890 ( 4.233 -2.740 -2.271) 5.530 5.967 ( -3.012 -0.314 -3.528) 4.649 6.135 ( 4.511 -2.513 -1.646) 5.420 6.197 ( -1.186 -2.851 0.528) 3.132 6.755 ( -1.201 -5.817 -4.366) 7.372 6.865 ( -13.358 -0.330 -4.899) 14.232 7.313 ( 4.065 -1.045 -7.088) 8.238 7.374 ( -2.302 -7.382 -6.711) 10.239 7.713 ( 2.557 4.718 -6.475) 8.410 7.773 ( -3.295 8.195 -6.812) 11.154 8.087 ( 8.230 5.460 -6.640) 11.902 8.182 ( -1.606 7.601 -6.460) 10.104 8.393 ( 4.008 6.528 2.354) 8.014 8.434 ( 1.278 3.681 -1.033) 4.031 8.553 ( 1.125 1.254 -0.112) 1.688 8.666 ( -4.421 -0.343 -1.113) 4.572 8.741 ( 0.374 4.003 0.398) 4.040 8.842 ( -0.798 2.284 -5.112) 5.656 8.951 ( 7.266 -1.017 -0.070) 7.337 9.187 ( -10.622 -3.818 -1.005) 11.332 9.613 ( 3.193 -4.315 6.979) 8.805 9.643 ( 1.030 -0.828 4.230) 4.431 9.815 ( 4.622 -2.527 -0.619) 5.304 9.924 ( -5.577 5.962 1.584) 8.316 10.364 ( 10.604 -4.905 1.029) 11.729 10.515 ( 5.353 2.196 -2.643) 6.361 10.569 ( 2.163 1.058 -2.509) 3.478 10.750 ( -7.931 -5.296 -4.153) 10.402 10.836 ( 0.099 -5.471 1.398) 5.648 11.001 ( -10.177 -4.669 -5.035) 12.277 11.187 ( 2.054 9.775 1.825) 10.154 11.300 ( -8.176 7.878 0.311) 11.358 11.721 ( 8.046 -7.907 -4.530) 12.156 11.856 ( -3.916 -8.085 0.724) 9.012 12.170 ( 3.298 -0.898 -7.724) 8.446 12.186 ( 5.258 -4.684 -5.533) 8.956 12.311 ( -4.487 -3.354 -10.719) 12.095 12.354 ( -4.785 0.887 -0.672) 4.913 12.567 ( 3.031 -3.462 5.392) 7.089 12.614 ( -1.053 -4.775 1.582) 5.139 12.950 ( 5.744 -4.558 -5.487) 9.158 13.042 ( -2.842 -3.737 -5.987) 7.608 13.450 ( 7.839 0.902 6.737) 10.376 13.582 ( -5.696 3.660 5.106) 8.480 13.814 ( 1.599 4.727 -5.065) 7.110 13.825 ( 0.534 4.890 -3.078) 5.803 14.639 ( 9.326 -5.879 4.050) 11.745 14.848 ( -10.324 -3.227 2.874) 11.192 14.977 ( 2.641 2.465 6.345) 7.301 15.098 ( -10.419 -1.354 9.450) 14.132 15.984 ( 9.222 -5.752 1.314) 10.948 16.139 ( -6.133 -10.245 0.402) 11.947 22.180 ( 3.166 9.174 0.962) 9.753 22.282 ( -8.269 16.322 -0.923) 18.321 22.830 ( 2.596 0.758 -1.426) 3.058 22.884 ( -2.931 2.720 -1.768) 4.372 23.207 ( 5.994 4.430 -0.978) 7.517 23.321 ( -5.529 5.860 -0.491) 8.072 23.638 ( 1.489 1.033 2.164) 2.823 23.665 ( -1.366 0.607 3.033) 3.381 23.740 ( 1.518 0.278 5.978) 6.174 23.772 ( -1.786 0.522 6.027) 6.308 24.164 ( 6.006 0.505 -4.775) 7.690 24.242 ( -2.495 0.349 -1.021) 2.719 24.607 ( 2.046 -0.273 -0.260) 2.081 24.659 ( -3.358 -1.233 3.164) 4.776 25.641 ( 6.152 -10.283 -4.278) 12.724 25.738 ( -4.123 -11.335 -0.443) 12.069 ======================= Grid point 55 (22/90) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 0.000 31.529 13.805) 34.418 1.851 ( 0.000 24.173 36.209) 43.536 2.770 ( 0.000 48.914 16.792) 51.716 3.146 ( 0.000 16.330 5.541) 17.245 3.254 ( 0.000 2.673 5.596) 6.201 3.689 ( 0.000 -2.595 4.076) 4.833 3.715 ( 0.000 -1.039 4.110) 4.239 3.962 ( 0.000 17.303 3.820) 17.719 4.087 ( 0.000 0.494 10.651) 10.662 4.143 ( 0.000 -1.407 3.241) 3.533 4.232 ( 0.000 -7.523 0.348) 7.531 4.280 ( 0.000 2.278 2.207) 3.172 4.403 ( 0.000 1.807 4.517) 4.865 4.820 ( 0.000 12.432 -4.861) 13.349 5.049 ( 0.000 13.082 3.561) 13.558 5.220 ( 0.000 4.933 -5.837) 7.642 5.754 ( 0.000 -3.878 -2.149) 4.434 5.914 ( 0.000 1.589 2.147) 2.671 6.032 ( 0.000 0.197 -9.331) 9.333 6.315 ( 0.000 3.810 1.974) 4.291 6.805 ( 0.000 -13.024 -3.144) 13.398 6.827 ( 0.000 -13.707 -10.200) 17.086 7.511 ( 0.000 -1.568 -0.815) 1.767 7.551 ( 0.000 6.389 6.260) 8.945 7.687 ( 0.000 7.822 -9.156) 12.043 7.876 ( 0.000 2.063 -12.308) 12.480 7.902 ( 0.000 1.117 -7.383) 7.467 8.200 ( 0.000 3.555 -0.344) 3.572 8.415 ( 0.000 12.198 -10.751) 16.260 8.452 ( 0.000 5.795 -0.890) 5.863 8.557 ( 0.000 2.520 -7.164) 7.594 8.590 ( 0.000 7.887 5.940) 9.874 8.883 ( 0.000 0.683 6.340) 6.377 9.018 ( 0.000 6.296 2.326) 6.712 9.132 ( 0.000 -1.697 -3.358) 3.762 9.176 ( 0.000 -2.184 -13.442) 13.618 9.376 ( 0.000 -1.861 -3.403) 3.879 9.585 ( 0.000 -6.179 5.521) 8.287 9.623 ( 0.000 -4.694 9.528) 10.622 10.003 ( 0.000 -1.158 -3.508) 3.695 10.092 ( 0.000 -4.811 -2.244) 5.308 10.612 ( 0.000 -1.606 -1.761) 2.383 10.644 ( 0.000 3.814 -16.373) 16.811 10.737 ( 0.000 -1.008 4.199) 4.319 10.866 ( 0.000 -3.709 -1.870) 4.154 11.073 ( 0.000 -0.842 -5.566) 5.630 11.268 ( 0.000 -7.453 -15.285) 17.005 11.498 ( 0.000 1.472 2.999) 3.341 11.711 ( 0.000 -7.273 1.326) 7.393 11.831 ( 0.000 -15.868 4.640) 16.533 11.855 ( 0.000 2.060 1.789) 2.729 11.969 ( 0.000 9.180 11.390) 14.629 12.158 ( 0.000 2.176 -6.219) 6.588 12.278 ( 0.000 -0.313 3.574) 3.587 12.448 ( 0.000 -6.898 -11.647) 13.536 12.642 ( 0.000 -5.440 -0.555) 5.468 12.700 ( 0.000 -9.694 6.941) 11.923 13.074 ( 0.000 6.592 2.984) 7.236 13.108 ( 0.000 -4.801 7.572) 8.966 13.727 ( 0.000 -0.876 -1.885) 2.079 13.814 ( 0.000 1.406 0.798) 1.617 14.160 ( 0.000 17.783 -7.332) 19.235 14.320 ( 0.000 -9.468 2.317) 9.747 14.963 ( 0.000 -5.306 2.011) 5.674 15.153 ( 0.000 8.794 0.076) 8.794 15.464 ( 0.000 -4.169 1.192) 4.336 15.542 ( 0.000 -12.234 15.206) 19.516 15.880 ( 0.000 -5.336 -4.913) 7.253 22.260 ( 0.000 7.224 1.904) 7.471 22.743 ( 0.000 -2.114 0.935) 2.312 22.877 ( 0.000 0.362 -0.995) 1.059 23.035 ( 0.000 -1.760 0.722) 1.903 23.527 ( 0.000 14.510 -19.515) 24.318 23.602 ( 0.000 6.684 -0.927) 6.748 23.613 ( 0.000 5.356 -1.183) 5.485 23.708 ( 0.000 0.029 5.610) 5.611 23.779 ( 0.000 3.196 -8.610) 9.184 23.806 ( 0.000 1.668 0.528) 1.750 23.887 ( 0.000 4.915 4.311) 6.538 24.284 ( 0.000 0.562 1.092) 1.228 24.614 ( 0.000 3.165 -0.096) 3.167 24.734 ( 0.000 -2.666 6.181) 6.732 25.039 ( 0.000 -14.872 11.735) 18.944 25.537 ( 0.000 -12.276 -0.254) 12.279 ======================= Grid point 56 (23/90) ======================= q-point: ( 0.20 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 10.565 29.210 14.235) 34.168 1.984 ( 12.875 22.480 32.401) 41.484 2.901 ( 0.601 30.198 9.043) 31.528 3.023 ( -0.392 24.169 11.799) 26.898 3.089 ( -14.822 11.005 12.595) 22.349 3.720 ( 1.715 -1.970 4.147) 4.901 3.788 ( 5.075 -1.834 -0.925) 5.474 3.976 ( 3.017 17.122 2.329) 17.541 4.090 ( -2.659 -4.535 0.173) 5.260 4.154 ( 5.152 0.200 10.048) 11.293 4.308 ( 4.470 8.712 3.816) 10.509 4.325 ( 4.824 -11.040 2.290) 12.263 4.436 ( 3.027 2.404 3.781) 5.407 4.765 ( -6.880 12.875 -4.513) 15.280 4.953 ( -6.511 12.622 4.142) 14.794 5.166 ( -7.273 3.081 -6.281) 10.092 5.767 ( 1.613 -2.841 -2.393) 4.050 5.945 ( 2.455 -1.824 0.326) 3.075 6.022 ( -0.777 0.188 -5.609) 5.665 6.271 ( -4.082 1.882 3.114) 5.468 6.650 ( -4.872 -9.208 -5.507) 11.784 7.017 ( 8.955 -12.908 -8.131) 17.689 7.276 ( -20.847 2.812 -2.977) 21.245 7.407 ( -7.800 0.625 -3.055) 8.400 7.764 ( 7.880 11.289 -3.108) 14.113 7.922 ( 2.881 3.699 -8.163) 9.414 8.016 ( 7.849 2.875 -7.004) 10.905 8.374 ( 10.848 1.510 1.686) 11.082 8.418 ( 0.423 8.972 -10.043) 13.473 8.477 ( 3.339 5.915 -4.803) 8.319 8.510 ( -2.576 4.606 1.233) 5.420 8.660 ( 6.923 3.830 -1.671) 8.087 8.853 ( -2.675 2.666 2.691) 4.638 8.968 ( -5.990 10.489 3.045) 12.457 9.089 ( -3.019 1.311 -6.223) 7.040 9.214 ( -2.140 -6.269 -8.713) 10.945 9.402 ( 5.607 -2.795 -3.333) 7.097 9.568 ( 1.669 -3.153 7.059) 7.910 9.657 ( 1.265 -5.357 4.880) 7.356 10.032 ( 4.037 -4.928 1.738) 6.603 10.110 ( -0.426 -2.296 -2.994) 3.797 10.485 ( -5.946 -2.945 -2.950) 7.262 10.628 ( -5.649 -6.465 -5.623) 10.263 10.763 ( -1.492 -4.802 0.809) 5.094 10.817 ( -1.833 4.743 -1.053) 5.193 11.047 ( -0.581 2.036 -9.794) 10.020 11.351 ( 3.809 -4.655 -11.317) 12.817 11.488 ( -2.329 -0.726 -0.440) 2.479 11.515 ( -5.956 2.393 2.391) 6.850 11.776 ( -4.170 -9.758 6.031) 12.206 11.962 ( 2.445 -4.295 -1.763) 5.247 12.047 ( 2.909 -2.696 1.922) 4.407 12.218 ( 5.769 -1.434 2.961) 6.641 12.348 ( 6.455 2.400 2.298) 7.261 12.412 ( -1.550 -3.879 -10.690) 11.477 12.610 ( -2.949 -4.386 -0.397) 5.300 12.734 ( 4.005 -8.392 4.443) 10.306 13.076 ( -0.413 4.601 1.058) 4.739 13.215 ( 9.178 -4.701 7.254) 12.608 13.748 ( -5.214 -2.860 1.281) 6.083 13.770 ( 3.074 3.522 -1.558) 4.928 14.123 ( -3.884 15.132 -6.469) 16.909 14.342 ( 3.092 -9.498 3.834) 10.700 14.907 ( -6.487 -6.171 2.187) 9.217 15.129 ( -1.798 9.154 1.313) 9.421 15.268 ( -10.796 -2.288 6.211) 12.663 15.688 ( 8.167 -7.786 5.176) 12.414 15.924 ( 2.515 -8.662 -3.640) 9.727 22.289 ( 3.132 7.880 1.660) 8.640 22.763 ( -1.567 0.161 -0.297) 1.603 22.777 ( -5.685 1.705 -0.672) 5.973 23.024 ( -3.180 -1.389 0.742) 3.548 23.372 ( -5.258 18.087 -12.839) 22.795 23.573 ( -2.965 7.398 -1.455) 8.102 23.649 ( 1.059 2.360 1.370) 2.927 23.705 ( -1.693 0.388 3.147) 3.595 23.722 ( 1.164 0.933 5.293) 5.499 23.850 ( -2.290 4.391 4.969) 7.015 24.018 ( 10.066 0.677 -9.087) 13.578 24.279 ( -0.739 0.476 1.157) 1.453 24.612 ( -0.079 2.738 -0.204) 2.747 24.685 ( -3.240 -2.155 4.946) 6.293 25.176 ( 10.649 -15.343 5.175) 19.380 25.523 ( -1.525 -12.628 -0.615) 12.734 ======================= Grid point 57 (24/90) ======================= q-point: ( 0.40 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 19.590 22.627 12.884) 32.584 2.295 ( 16.807 18.324 26.856) 36.599 2.590 ( -18.945 16.622 7.721) 26.360 2.729 ( -20.218 14.611 18.616) 31.126 3.339 ( 18.938 28.303 10.292) 35.576 3.637 ( -10.890 15.642 5.933) 19.961 3.906 ( 7.137 -6.852 -2.476) 10.199 4.016 ( -3.506 -6.798 0.427) 7.661 4.112 ( 7.011 5.744 0.493) 9.077 4.215 ( -1.627 -0.503 7.036) 7.239 4.396 ( 6.437 3.899 3.166) 8.165 4.444 ( 6.564 6.342 -0.340) 9.134 4.512 ( 3.337 2.939 4.853) 6.582 4.579 ( -9.407 12.035 0.310) 15.278 4.862 ( -2.640 6.512 2.441) 7.439 4.953 ( -11.992 2.341 -5.022) 13.210 5.829 ( 4.740 -2.157 -3.216) 6.121 5.927 ( -4.468 -2.650 -4.890) 7.134 6.064 ( 5.245 -3.049 2.983) 6.761 6.176 ( -5.699 -1.840 4.283) 7.363 6.667 ( 6.847 -1.495 -5.747) 9.064 6.899 ( -16.767 3.755 -5.150) 17.937 7.156 ( 6.003 -8.802 -7.962) 13.301 7.271 ( -6.353 -3.925 -6.379) 9.822 7.901 ( 5.364 10.716 -2.265) 12.196 7.955 ( -0.245 7.399 -4.896) 8.875 8.199 ( 10.239 3.701 -7.794) 13.390 8.354 ( -5.591 7.474 -8.370) 12.537 8.475 ( 2.561 3.523 3.497) 5.586 8.528 ( 0.019 1.230 1.802) 2.182 8.587 ( 7.511 6.795 -7.906) 12.849 8.771 ( -6.911 7.535 -5.641) 11.677 8.841 ( 1.584 4.711 1.495) 5.190 8.874 ( 6.601 3.227 -3.200) 8.015 8.983 ( -4.718 3.860 -2.059) 6.434 9.102 ( -8.521 -3.216 -4.257) 10.054 9.527 ( 5.886 -3.949 4.120) 8.199 9.616 ( -2.545 -2.048 5.421) 6.329 9.745 ( 12.153 -3.769 -1.714) 12.839 9.986 ( -10.760 -0.275 -1.356) 10.848 10.184 ( 10.176 -10.511 2.690) 14.875 10.410 ( -11.839 -12.828 -0.678) 17.469 10.499 ( 4.420 -6.805 -0.659) 8.141 10.647 ( -8.717 -8.673 0.031) 12.297 10.877 ( 6.040 9.930 -3.013) 12.007 10.997 ( -5.423 5.109 -10.423) 12.813 11.382 ( 3.382 6.958 -0.378) 7.746 11.449 ( -2.203 5.590 -1.446) 6.180 11.547 ( 5.043 -7.454 -2.868) 9.446 11.671 ( -6.970 -8.797 2.527) 11.504 11.986 ( 1.291 -8.108 -5.053) 9.641 12.027 ( -2.643 -10.386 -3.679) 11.331 12.337 ( 5.440 0.077 2.386) 5.941 12.399 ( -0.623 -0.354 1.204) 1.401 12.463 ( 4.135 -0.928 -1.654) 4.549 12.540 ( -4.020 -2.721 -1.140) 4.986 12.868 ( 9.151 -3.049 -0.232) 9.649 13.024 ( -5.744 2.282 -1.868) 6.457 13.402 ( 9.912 -5.089 7.749) 13.572 13.593 ( -9.596 -2.827 4.882) 11.132 13.878 ( 7.017 4.218 -3.009) 8.723 14.017 ( -6.838 9.207 -4.663) 12.380 14.470 ( 10.370 -9.108 4.636) 14.560 14.708 ( -12.992 -8.279 3.426) 15.782 15.108 ( -0.144 8.427 2.373) 8.756 15.134 ( -3.405 4.982 3.613) 7.033 15.833 ( 6.612 -8.187 0.531) 10.537 15.926 ( -2.613 -9.581 -2.036) 10.138 22.384 ( 6.926 9.271 0.804) 11.601 22.558 ( -10.959 9.012 -0.858) 14.215 22.833 ( 4.238 -0.791 0.578) 4.350 22.927 ( -5.448 0.294 0.259) 5.462 23.390 ( 4.634 12.280 -5.551) 14.251 23.492 ( -5.237 9.298 -2.911) 11.061 23.664 ( 0.727 1.225 2.757) 3.103 23.680 ( -1.017 0.755 3.250) 3.488 23.755 ( 2.070 1.503 5.453) 6.023 23.800 ( -2.596 2.700 5.434) 6.600 24.168 ( 5.764 -0.519 -3.719) 6.880 24.248 ( -2.707 -0.097 0.139) 2.712 24.615 ( 0.507 1.495 -0.001) 1.578 24.636 ( -1.766 -0.348 1.683) 2.464 25.361 ( 7.792 -14.859 -0.391) 16.783 25.472 ( -3.988 -13.572 -1.262) 14.202 ======================= Grid point 60 (25/90) ======================= q-point: ( 0.00 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 0.000 30.188 6.259) 30.830 2.398 ( 0.000 27.466 24.241) 36.633 3.246 ( 0.000 -4.739 2.213) 5.230 3.310 ( 0.000 0.747 6.385) 6.428 3.544 ( 0.000 -15.229 5.468) 16.181 3.549 ( 0.000 4.306 7.004) 8.222 3.714 ( 0.000 14.334 16.525) 21.876 3.870 ( 0.000 -8.744 19.424) 21.301 3.965 ( 0.000 1.442 4.190) 4.431 4.384 ( 0.000 18.811 -0.612) 18.821 4.423 ( 0.000 15.704 -0.657) 15.717 4.508 ( 0.000 5.185 2.266) 5.659 4.527 ( 0.000 13.982 5.136) 14.895 4.959 ( 0.000 -0.908 -1.935) 2.138 5.177 ( 0.000 -1.002 1.274) 1.621 5.282 ( 0.000 -0.366 -7.930) 7.938 5.706 ( 0.000 0.474 -1.937) 1.995 5.968 ( 0.000 -6.681 -6.112) 9.055 6.035 ( 0.000 9.508 0.375) 9.516 6.292 ( 0.000 -4.686 3.681) 5.959 6.578 ( 0.000 -9.018 -7.912) 11.997 6.587 ( 0.000 -7.120 -5.766) 9.161 7.547 ( 0.000 3.196 0.489) 3.234 7.597 ( 0.000 0.487 0.143) 0.507 7.846 ( 0.000 1.727 -8.152) 8.333 7.892 ( 0.000 -0.471 -11.564) 11.574 8.000 ( 0.000 10.406 -3.195) 10.886 8.249 ( 0.000 0.502 2.231) 2.287 8.542 ( 0.000 3.767 -12.497) 13.052 8.594 ( 0.000 1.382 -11.729) 11.810 8.723 ( 0.000 14.950 -8.674) 17.284 8.813 ( 0.000 10.669 -0.901) 10.707 8.900 ( 0.000 -0.537 3.727) 3.765 8.957 ( 0.000 -0.957 -0.604) 1.132 9.067 ( 0.000 -6.160 -5.101) 7.998 9.325 ( 0.000 11.528 4.052) 12.220 9.399 ( 0.000 1.329 -5.269) 5.434 9.468 ( 0.000 -4.700 5.794) 7.461 9.550 ( 0.000 -0.903 14.492) 14.520 9.950 ( 0.000 -8.581 -0.447) 8.593 10.010 ( 0.000 2.332 -8.217) 8.541 10.374 ( 0.000 -16.267 -4.175) 16.795 10.480 ( 0.000 -12.631 -4.171) 13.302 10.577 ( 0.000 -9.355 -8.501) 12.641 10.957 ( 0.000 2.522 4.018) 4.744 11.120 ( 0.000 -6.680 -11.065) 12.925 11.225 ( 0.000 11.313 -9.051) 14.487 11.493 ( 0.000 -8.699 2.909) 9.172 11.542 ( 0.000 4.110 -0.684) 4.167 11.684 ( 0.000 -1.789 -1.118) 2.110 11.887 ( 0.000 1.795 7.553) 7.763 12.146 ( 0.000 -3.796 -9.658) 10.377 12.177 ( 0.000 7.401 1.806) 7.618 12.307 ( 0.000 1.680 3.000) 3.439 12.411 ( 0.000 5.761 0.916) 5.834 12.477 ( 0.000 -9.493 9.555) 13.469 12.532 ( 0.000 -5.050 2.217) 5.515 12.922 ( 0.000 -10.944 10.439) 15.124 13.275 ( 0.000 10.016 1.367) 10.108 13.643 ( 0.000 -6.191 -0.668) 6.227 13.879 ( 0.000 4.000 -1.098) 4.148 14.126 ( 0.000 -8.014 1.651) 8.182 14.491 ( 0.000 13.014 -5.143) 13.993 14.850 ( 0.000 -5.583 1.077) 5.686 15.293 ( 0.000 1.687 0.899) 1.911 15.369 ( 0.000 -4.468 -0.931) 4.564 15.434 ( 0.000 3.438 2.844) 4.462 15.749 ( 0.000 -7.090 -2.778) 7.614 22.420 ( 0.000 7.672 2.311) 8.012 22.678 ( 0.000 -4.106 2.250) 4.683 22.898 ( 0.000 1.629 -0.337) 1.663 22.991 ( 0.000 -2.328 0.601) 2.404 23.675 ( 0.000 2.578 0.322) 2.598 23.679 ( 0.000 1.751 1.215) 2.131 23.693 ( 0.000 1.678 2.102) 2.689 23.706 ( 0.000 -0.181 4.732) 4.735 23.853 ( 0.000 2.539 -5.414) 5.979 23.862 ( 0.000 3.255 -15.324) 15.666 24.059 ( 0.000 9.968 3.030) 10.419 24.295 ( 0.000 -0.120 2.964) 2.967 24.653 ( 0.000 -1.437 2.416) 2.811 24.760 ( 0.000 7.781 1.806) 7.987 24.780 ( 0.000 -9.758 5.701) 11.301 25.267 ( 0.000 -13.413 -1.355) 13.481 ======================= Grid point 61 (26/90) ======================= q-point: ( 0.20 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 7.140 29.715 8.092) 31.614 2.490 ( 8.864 25.278 22.331) 34.874 3.146 ( -9.078 4.836 5.674) 11.747 3.262 ( -7.381 4.274 10.439) 13.480 3.570 ( 5.563 -8.966 4.915) 11.640 3.606 ( 2.209 -5.908 7.582) 9.862 3.686 ( 1.170 -1.888 10.107) 10.349 3.936 ( -2.773 -1.550 7.144) 7.818 3.961 ( 6.747 0.656 13.209) 14.847 4.383 ( -4.399 20.859 0.382) 21.321 4.444 ( 4.874 15.250 -1.176) 16.053 4.516 ( 2.804 4.378 1.765) 5.491 4.597 ( 6.187 11.157 4.104) 13.402 4.934 ( -3.908 1.577 -2.805) 5.062 5.068 ( -8.301 -1.528 2.187) 8.719 5.189 ( -9.455 -2.264 -7.823) 12.479 5.744 ( 3.567 1.029 -1.714) 4.089 5.942 ( -1.925 -2.905 -4.425) 5.632 6.016 ( -2.376 3.124 1.082) 4.071 6.228 ( -6.032 -4.876 4.491) 8.963 6.533 ( 3.878 -0.996 -6.414) 7.561 6.781 ( 11.214 -9.491 -7.895) 16.678 7.357 ( -17.296 4.035 -4.140) 18.236 7.426 ( -10.891 0.953 -3.813) 11.578 7.939 ( 7.312 2.854 -4.831) 9.217 8.030 ( 8.927 -1.201 -4.035) 9.870 8.054 ( 4.639 10.214 -1.865) 11.372 8.328 ( 6.201 -3.002 1.822) 7.127 8.552 ( 1.946 4.529 -11.328) 12.354 8.662 ( 4.266 4.543 -8.688) 10.693 8.721 ( -0.622 16.378 -9.464) 18.926 8.770 ( -0.786 6.386 -5.308) 8.341 8.897 ( 0.527 -0.144 0.535) 0.765 9.009 ( 3.474 -1.621 -1.722) 4.203 9.095 ( 0.362 -3.939 -5.301) 6.614 9.265 ( -4.715 11.238 1.066) 12.233 9.393 ( -0.567 1.679 -2.500) 3.065 9.496 ( 3.670 -5.268 3.827) 7.475 9.573 ( 1.901 -0.450 12.942) 13.089 9.940 ( 0.134 -4.223 2.162) 4.746 10.046 ( 1.752 -2.384 -5.445) 6.197 10.255 ( -9.552 -16.436 -4.786) 19.603 10.385 ( -7.845 -10.143 -2.129) 12.998 10.554 ( -4.434 -12.398 -3.135) 13.535 10.971 ( 2.505 4.304 -1.946) 5.346 11.200 ( 6.547 -8.037 -7.654) 12.885 11.229 ( -0.248 10.912 -8.496) 13.832 11.423 ( -4.122 -3.892 -1.358) 5.829 11.559 ( 0.437 0.847 -0.638) 1.146 11.667 ( -1.502 1.367 1.937) 2.807 11.893 ( -0.185 -2.128 3.067) 3.738 12.005 ( -8.061 -1.533 -4.800) 9.506 12.248 ( 2.700 1.348 2.666) 4.027 12.353 ( 1.167 -1.345 -3.457) 3.889 12.435 ( 1.501 2.645 6.118) 6.833 12.514 ( -0.903 -6.397 1.926) 6.742 12.579 ( 12.197 0.379 6.329) 13.746 13.019 ( 8.845 -9.794 9.652) 16.350 13.268 ( -1.802 8.790 0.555) 8.990 13.633 ( -3.104 -6.923 0.101) 7.588 13.870 ( 1.466 5.164 -1.063) 5.472 14.148 ( 3.076 -8.240 2.487) 9.140 14.401 ( -8.534 10.953 -4.185) 14.502 14.764 ( -9.034 -7.266 0.976) 11.635 15.253 ( -0.862 3.517 1.223) 3.822 15.355 ( -1.752 8.656 -0.928) 8.880 15.528 ( 6.921 -6.882 1.518) 9.877 15.754 ( -0.013 -8.185 -2.783) 8.645 22.456 ( 3.677 7.688 2.021) 8.759 22.708 ( 3.044 -3.900 2.053) 5.356 22.836 ( -5.724 2.997 -0.332) 6.470 22.973 ( -2.533 -3.080 0.728) 4.054 23.638 ( -2.915 5.926 -3.766) 7.602 23.666 ( -1.063 1.940 1.286) 2.559 23.688 ( -0.416 1.103 2.575) 2.832 23.705 ( -0.669 -0.201 3.643) 3.709 23.790 ( 0.629 6.327 -2.885) 6.982 23.995 ( 3.045 2.998 -4.164) 5.966 24.019 ( -0.112 4.575 -1.808) 4.921 24.277 ( -1.990 -1.334 2.972) 3.817 24.640 ( 0.067 0.250 1.399) 1.423 24.739 ( -1.409 7.782 1.129) 7.989 24.894 ( 8.636 -11.183 3.717) 14.610 25.246 ( -2.209 -13.625 -1.255) 13.859 ======================= Grid point 62 (27/90) ======================= q-point: ( 0.40 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( 11.665 25.209 8.706) 29.109 2.713 ( 12.479 21.405 22.006) 33.139 2.934 ( -10.985 15.964 6.979) 20.597 3.038 ( -14.306 14.461 16.812) 26.390 3.647 ( 3.419 -12.948 7.528) 15.363 3.703 ( 0.991 -14.256 4.580) 15.006 3.746 ( 7.164 -10.994 2.811) 13.420 3.872 ( -4.064 -8.734 8.469) 12.827 4.090 ( 6.864 11.303 5.853) 14.462 4.242 ( -8.831 20.145 1.934) 22.080 4.568 ( 7.343 6.972 -0.390) 10.133 4.617 ( 6.004 7.591 0.132) 9.680 4.734 ( 5.856 8.603 1.486) 10.512 4.796 ( -7.262 6.687 -1.442) 9.977 4.925 ( -6.436 -0.349 1.230) 6.562 4.982 ( -9.610 -1.676 -4.944) 10.936 5.828 ( 4.449 2.010 -1.269) 5.044 5.897 ( -2.873 -0.034 -2.785) 4.001 5.994 ( 1.820 -3.062 3.052) 4.691 6.093 ( -7.228 -5.321 4.991) 10.270 6.706 ( 13.193 4.879 -6.548) 15.516 6.992 ( 7.950 -5.401 -7.711) 12.322 7.012 ( -14.660 4.501 -6.287) 16.574 7.209 ( -11.381 -2.572 -6.423) 13.319 8.066 ( 5.129 4.928 -2.282) 7.470 8.114 ( 0.564 7.889 -0.353) 7.917 8.207 ( 9.303 -1.936 0.328) 9.508 8.358 ( -4.713 -4.349 2.660) 6.943 8.611 ( 4.076 8.179 -7.839) 12.040 8.684 ( -3.077 11.379 -8.200) 14.359 8.753 ( 7.016 5.690 -12.276) 15.242 8.834 ( 3.889 1.503 -7.888) 8.922 8.927 ( 0.017 3.149 -4.257) 5.296 9.000 ( -4.643 3.601 -0.810) 5.931 9.068 ( 1.229 4.737 -6.053) 7.784 9.164 ( -6.047 9.102 -2.962) 11.322 9.453 ( 6.046 -1.971 1.063) 6.447 9.534 ( -1.410 -5.346 2.464) 6.053 9.671 ( 9.467 -3.557 5.688) 11.603 9.903 ( -12.054 -8.900 0.139) 14.985 10.007 ( 4.209 -4.075 0.861) 5.922 10.143 ( -6.717 -8.331 1.530) 10.810 10.288 ( 2.859 -11.983 0.019) 12.319 10.420 ( -8.318 -12.644 0.552) 15.145 11.050 ( 5.269 6.049 -6.036) 10.039 11.160 ( -5.649 7.367 -8.559) 12.627 11.346 ( 6.803 -8.605 -1.433) 11.062 11.401 ( 0.496 -6.348 -3.693) 7.361 11.557 ( 0.322 5.294 -3.439) 6.321 11.615 ( -4.408 4.168 1.072) 6.161 11.875 ( -1.183 -4.484 -2.014) 5.056 11.883 ( -3.235 -3.175 -5.048) 6.784 12.301 ( 2.802 -0.921 5.277) 6.045 12.347 ( -1.664 -1.234 5.311) 5.701 12.465 ( 1.781 -1.472 0.051) 2.311 12.494 ( -1.176 -4.315 0.647) 4.519 12.871 ( 15.831 4.741 3.402) 16.872 13.127 ( -8.309 6.699 1.447) 10.770 13.254 ( 10.122 -8.272 6.673) 14.677 13.484 ( -11.328 -7.069 3.047) 13.696 13.985 ( 9.529 5.875 -1.669) 11.318 14.192 ( -10.445 7.310 -2.361) 12.965 14.289 ( 9.728 -7.573 2.022) 12.493 14.533 ( -13.733 -8.233 1.364) 16.070 15.271 ( 2.055 8.240 0.464) 8.506 15.315 ( -2.269 10.128 -0.097) 10.380 15.651 ( 5.495 -8.972 -0.605) 10.539 15.731 ( -2.640 -9.283 -2.142) 9.886 22.557 ( 6.698 7.272 1.206) 9.960 22.701 ( -7.761 5.536 0.178) 9.535 22.789 ( 5.054 -3.436 1.580) 6.313 22.892 ( -5.337 -3.176 1.025) 6.295 23.613 ( 0.516 6.474 -2.541) 6.974 23.639 ( -1.670 3.869 -0.084) 4.215 23.683 ( 0.080 0.471 3.056) 3.094 23.691 ( -0.655 0.142 3.340) 3.407 23.838 ( 3.645 7.247 0.300) 8.118 23.920 ( -4.705 8.591 1.467) 9.905 24.126 ( 5.502 -3.703 -3.633) 7.562 24.218 ( -4.033 -3.241 0.717) 5.223 24.662 ( 1.975 4.034 0.511) 4.521 24.704 ( -2.138 6.749 0.653) 7.110 25.058 ( 7.724 -13.474 0.748) 15.548 25.179 ( -4.846 -13.943 -0.770) 14.781 ======================= Grid point 65 (28/90) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( 0.000 -1.504 3.612) 3.912 2.920 ( 0.000 1.504 3.612) 3.912 3.030 ( 0.000 -6.497 11.221) 12.966 3.030 ( 0.000 6.497 11.221) 12.966 3.428 ( 0.000 -4.775 8.855) 10.060 3.428 ( 0.000 4.775 8.855) 10.060 3.789 ( 0.000 -1.334 18.439) 18.487 3.789 ( 0.000 1.334 18.439) 18.487 4.339 ( 0.000 -15.384 2.725) 15.623 4.339 ( 0.000 15.384 2.725) 15.623 4.690 ( 0.000 -5.112 -0.273) 5.120 4.690 ( 0.000 5.112 -0.273) 5.120 4.795 ( 0.000 -11.558 3.323) 12.026 4.795 ( 0.000 11.558 3.323) 12.026 5.183 ( 0.000 -6.085 -5.597) 8.267 5.183 ( 0.000 6.085 -5.597) 8.267 5.793 ( 0.000 -7.507 -2.199) 7.822 5.793 ( 0.000 7.507 -2.199) 7.822 6.206 ( 0.000 -4.755 0.511) 4.783 6.206 ( 0.000 4.755 0.511) 4.783 6.489 ( 0.000 -1.329 -6.203) 6.344 6.489 ( 0.000 1.329 -6.203) 6.344 7.593 ( 0.000 -1.002 -0.897) 1.345 7.593 ( 0.000 1.002 -0.897) 1.345 7.868 ( 0.000 -1.337 -9.083) 9.181 7.868 ( 0.000 1.337 -9.083) 9.181 8.190 ( 0.000 -6.288 0.525) 6.310 8.190 ( 0.000 6.288 0.525) 6.310 8.608 ( 0.000 -1.121 -19.096) 19.129 8.608 ( 0.000 1.121 -19.096) 19.129 8.831 ( 0.000 -3.259 2.321) 4.001 8.831 ( 0.000 3.259 2.321) 4.001 8.987 ( 0.000 -3.439 1.400) 3.713 8.987 ( 0.000 3.439 1.400) 3.713 9.204 ( 0.000 -17.145 -9.732) 19.715 9.204 ( 0.000 17.145 -9.732) 19.715 9.449 ( 0.000 -0.974 9.118) 9.169 9.449 ( 0.000 0.974 9.118) 9.169 9.717 ( 0.000 -14.134 7.641) 16.067 9.717 ( 0.000 14.134 7.641) 16.067 10.103 ( 0.000 -7.008 -10.548) 12.664 10.103 ( 0.000 7.008 -10.548) 12.664 10.379 ( 0.000 -4.531 -4.144) 6.140 10.379 ( 0.000 4.531 -4.144) 6.140 11.010 ( 0.000 -3.506 -1.491) 3.810 11.010 ( 0.000 3.506 -1.491) 3.810 11.377 ( 0.000 -4.286 -2.806) 5.123 11.377 ( 0.000 4.286 -2.806) 5.123 11.649 ( 0.000 -3.249 -6.637) 7.390 11.649 ( 0.000 3.249 -6.637) 7.390 11.992 ( 0.000 -8.795 3.193) 9.356 11.992 ( 0.000 8.795 3.193) 9.356 12.268 ( 0.000 -3.619 0.377) 3.638 12.268 ( 0.000 3.619 0.377) 3.638 12.435 ( 0.000 -3.681 2.600) 4.507 12.435 ( 0.000 3.681 2.600) 4.507 12.654 ( 0.000 -13.863 11.298) 17.884 12.654 ( 0.000 13.863 11.298) 17.884 13.480 ( 0.000 -9.104 0.490) 9.117 13.480 ( 0.000 9.104 0.490) 9.117 13.981 ( 0.000 -5.831 -0.495) 5.852 13.981 ( 0.000 5.831 -0.495) 5.852 14.712 ( 0.000 -8.106 -1.794) 8.303 14.712 ( 0.000 8.106 -1.794) 8.303 15.301 ( 0.000 -1.521 -0.235) 1.539 15.301 ( 0.000 1.521 -0.235) 1.539 15.586 ( 0.000 -8.241 -1.185) 8.326 15.586 ( 0.000 8.241 -1.185) 8.326 22.569 ( 0.000 -6.272 2.550) 6.771 22.569 ( 0.000 6.272 2.550) 6.771 22.941 ( 0.000 -2.323 0.221) 2.333 22.941 ( 0.000 2.323 0.221) 2.333 23.699 ( 0.000 -0.504 3.372) 3.409 23.699 ( 0.000 0.504 3.372) 3.409 23.702 ( 0.000 -0.403 3.024) 3.051 23.702 ( 0.000 0.403 3.024) 3.051 23.890 ( 0.000 -0.493 -10.767) 10.778 23.890 ( 0.000 0.493 -10.767) 10.778 24.239 ( 0.000 -5.979 4.732) 7.625 24.239 ( 0.000 5.979 4.732) 7.625 24.648 ( 0.000 -2.406 1.095) 2.644 24.648 ( 0.000 2.406 1.095) 2.644 24.986 ( 0.000 -12.765 0.086) 12.766 24.986 ( 0.000 12.765 0.086) 12.766 ======================= Grid point 67 (29/90) ======================= q-point: ( 0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( 4.949 -10.241 6.039) 12.878 2.972 ( 4.949 10.241 6.039) 12.878 3.082 ( 5.053 -15.691 10.180) 19.375 3.082 ( 5.053 15.691 10.180) 19.375 3.418 ( -1.126 -7.928 8.019) 11.332 3.418 ( -1.126 7.928 8.019) 11.332 3.724 ( -6.191 -8.177 17.376) 20.177 3.724 ( -6.191 8.177 17.376) 20.177 4.370 ( 3.321 -15.022 2.340) 15.561 4.370 ( 3.321 15.022 2.340) 15.561 4.700 ( 0.518 -1.198 -0.117) 1.311 4.700 ( 0.518 1.198 -0.117) 1.311 4.817 ( 1.570 -10.116 1.504) 10.347 4.817 ( 1.570 10.116 1.504) 10.347 5.060 ( -10.404 -6.058 -4.331) 12.794 5.060 ( -10.404 6.058 -4.331) 12.794 5.819 ( 2.329 -5.895 -2.220) 6.716 5.819 ( 2.329 5.895 -2.220) 6.716 6.125 ( -6.594 -5.089 2.292) 8.639 6.125 ( -6.594 5.089 2.292) 8.639 6.605 ( 10.265 -6.935 -6.843) 14.153 6.605 ( 10.265 6.935 -6.843) 14.153 7.421 ( -13.821 -1.755 -4.871) 14.758 7.421 ( -13.821 1.755 -4.871) 14.758 7.988 ( 8.675 -2.367 -3.486) 9.644 7.988 ( 8.675 2.367 -3.486) 9.644 8.235 ( 3.473 -6.354 1.426) 7.380 8.235 ( 3.473 6.354 1.426) 7.380 8.667 ( 5.203 -4.644 -18.352) 19.632 8.667 ( 5.203 4.644 -18.352) 19.632 8.828 ( 0.137 -3.040 -1.115) 3.242 8.828 ( 0.137 3.040 -1.115) 3.242 8.992 ( 0.758 -4.975 -0.345) 5.044 8.992 ( 0.758 4.975 -0.345) 5.044 9.194 ( -1.057 -14.810 -8.772) 17.246 9.194 ( -1.057 14.810 -8.772) 17.246 9.455 ( 1.002 -0.311 6.550) 6.633 9.455 ( 1.002 0.311 6.550) 6.633 9.730 ( 0.151 -15.093 9.923) 18.063 9.730 ( 0.151 15.093 9.923) 18.063 10.050 ( -4.014 -2.438 -9.366) 10.477 10.050 ( -4.014 2.438 -9.366) 10.477 10.316 ( -6.006 -6.161 -1.510) 8.735 10.316 ( -6.006 6.161 -1.510) 8.735 11.058 ( 4.597 -5.051 -2.690) 7.340 11.058 ( 4.597 5.051 -2.690) 7.340 11.358 ( -2.231 -2.750 -3.472) 4.959 11.358 ( -2.231 2.750 -3.472) 4.959 11.649 ( 0.648 -4.655 -6.037) 7.650 11.649 ( 0.648 4.655 -6.037) 7.650 11.927 ( -6.018 -5.438 0.458) 8.124 11.927 ( -6.018 5.438 0.458) 8.124 12.295 ( 2.550 -4.760 2.187) 5.826 12.295 ( 2.550 4.760 2.187) 5.826 12.428 ( -0.648 -2.085 4.218) 4.749 12.428 ( -0.648 2.085 4.218) 4.749 12.774 ( 11.287 -12.577 8.876) 19.088 12.774 ( 11.287 12.577 8.876) 19.088 13.463 ( -3.209 -9.093 0.331) 9.648 13.463 ( -3.209 9.093 0.331) 9.648 13.992 ( 2.578 -6.545 0.125) 7.035 13.992 ( 2.578 6.545 0.125) 7.035 14.601 ( -10.316 -8.392 -1.446) 13.377 14.601 ( -10.316 8.392 -1.446) 13.377 15.358 ( 4.928 -6.072 -0.560) 7.840 15.358 ( 4.928 6.072 -0.560) 7.840 15.574 ( -1.376 -8.785 -1.207) 8.974 15.574 ( -1.376 8.785 -1.207) 8.974 22.602 ( 3.414 -6.123 2.286) 7.374 22.602 ( 3.414 6.123 2.286) 7.374 22.904 ( -3.738 -3.402 0.320) 5.065 22.904 ( -3.738 3.402 0.320) 5.065 23.684 ( -0.921 -0.290 2.512) 2.691 23.684 ( -0.921 0.290 2.512) 2.691 23.699 ( -0.561 -0.400 2.940) 3.020 23.699 ( -0.561 0.400 2.940) 3.020 23.928 ( 3.518 -5.367 -8.171) 10.390 23.928 ( 3.518 5.368 -8.171) 10.390 24.193 ( -4.139 -6.853 3.216) 8.628 24.193 ( -4.139 6.853 3.216) 8.628 24.703 ( 4.963 -6.102 1.084) 7.940 24.703 ( 4.963 6.102 1.084) 7.940 24.965 ( -2.175 -12.555 0.140) 12.743 24.965 ( -2.175 12.555 0.140) 12.743 ======================= Grid point 69 (30/90) ======================= q-point: ( 0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( 6.290 -11.501 9.626) 16.263 3.086 ( 6.290 11.501 9.626) 16.263 3.164 ( 0.385 -11.443 10.733) 15.694 3.164 ( 0.385 11.443 10.733) 15.694 3.423 ( 4.174 -2.901 7.202) 8.815 3.423 ( 4.174 2.901 7.202) 8.815 3.573 ( -9.045 -11.119 12.775) 19.200 3.573 ( -9.045 11.119 12.775) 19.200 4.474 ( 7.663 -14.337 1.060) 16.291 4.474 ( 7.663 14.337 1.060) 16.291 4.643 ( -7.961 -12.093 -0.300) 14.482 4.643 ( -7.961 12.093 -0.300) 14.482 4.842 ( 2.093 -4.480 -1.891) 5.294 4.842 ( 2.093 4.480 -1.891) 5.294 4.905 ( -4.507 -1.227 -0.863) 4.750 4.905 ( -4.507 1.227 -0.863) 4.750 5.882 ( 4.522 -2.241 0.055) 5.047 5.882 ( 4.522 2.241 0.055) 5.047 5.993 ( -6.688 -3.362 2.826) 8.001 5.993 ( -6.688 3.362 2.826) 8.001 6.843 ( 14.064 -7.401 -7.183) 17.440 6.843 ( 14.064 7.401 -7.183) 17.440 7.132 ( -15.563 -5.020 -6.712) 17.677 7.132 ( -15.563 5.020 -6.712) 17.677 8.149 ( 7.672 -3.136 1.058) 8.356 8.149 ( 7.672 3.136 1.058) 8.356 8.255 ( -2.475 -5.420 2.823) 6.593 8.255 ( -2.475 5.420 2.823) 6.593 8.763 ( 4.402 -3.731 -13.114) 14.327 8.763 ( 4.402 3.731 -13.114) 14.327 8.827 ( -1.568 -1.771 -9.656) 9.942 8.827 ( -1.568 1.771 -9.656) 9.942 9.048 ( 5.468 -3.654 -4.336) 7.878 9.048 ( 5.468 3.654 -4.336) 7.878 9.151 ( -3.952 -10.074 -7.101) 12.943 9.151 ( -3.952 10.074 -7.101) 12.943 9.512 ( 5.442 -1.765 3.732) 6.830 9.512 ( 5.442 1.765 3.732) 6.830 9.655 ( -7.870 -9.409 5.369) 13.390 9.655 ( -7.870 9.409 5.369) 13.390 10.045 ( 4.455 -6.632 -0.634) 8.015 10.045 ( 4.455 6.632 -0.634) 8.015 10.176 ( -7.906 -7.557 1.918) 11.104 10.176 ( -7.906 7.557 1.918) 11.104 11.168 ( 6.349 -6.029 -3.935) 9.600 11.168 ( 6.349 6.029 -3.935) 9.600 11.284 ( -5.319 -4.428 -4.173) 8.082 11.284 ( -5.319 4.428 -4.173) 8.082 11.694 ( 4.029 -3.997 -4.975) 7.547 11.694 ( 4.029 3.997 -4.975) 7.547 11.798 ( -6.582 -3.203 -3.103) 7.950 11.798 ( -6.582 3.203 -3.103) 7.950 12.352 ( 3.099 -4.721 4.319) 7.109 12.352 ( 3.099 4.721 4.319) 7.109 12.403 ( -2.038 -2.509 5.037) 5.985 12.403 ( -2.038 2.509 5.037) 5.985 13.040 ( 15.170 -9.806 5.290) 18.822 13.040 ( 15.170 9.806 5.290) 18.822 13.313 ( -12.104 -8.689 1.979) 15.031 13.313 ( -12.104 8.689 1.979) 15.031 14.122 ( 10.667 -7.065 0.018) 12.794 14.122 ( 10.667 7.065 0.018) 12.794 14.364 ( -13.434 -7.878 -0.794) 15.594 14.364 ( -13.434 7.878 -0.794) 15.594 15.455 ( 4.744 -8.482 -0.968) 9.767 15.455 ( 4.744 8.482 -0.968) 9.767 15.531 ( -3.075 -9.221 -1.177) 9.792 15.531 ( -3.075 9.221 -1.177) 9.792 22.693 ( 5.684 -5.597 1.597) 8.135 22.693 ( 5.684 5.597 1.597) 8.135 22.808 ( -5.900 -4.677 0.800) 7.571 22.808 ( -5.900 4.677 0.800) 7.571 23.676 ( 0.082 -0.634 2.348) 2.433 23.676 ( 0.082 0.634 2.348) 2.433 23.685 ( -0.745 -0.509 2.652) 2.801 23.685 ( -0.745 0.509 2.652) 2.801 24.009 ( 4.686 -7.412 -4.027) 9.650 24.009 ( 4.686 7.412 -4.027) 9.650 24.103 ( -4.966 -7.636 -0.070) 9.109 24.103 ( -4.966 7.636 -0.070) 9.109 24.809 ( 5.549 -9.653 0.715) 11.157 24.809 ( 5.549 9.653 0.715) 11.157 24.904 ( -4.171 -11.691 0.333) 12.417 24.904 ( -4.171 11.691 0.333) 12.417 ======================= Grid point 90 (31/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 0.000 0.000 31.250) 31.250 1.604 ( 0.000 0.000 37.190) 37.190 2.632 ( 0.000 0.000 6.986) 6.986 2.892 ( 0.000 0.000 63.488) 63.488 3.288 ( 0.000 0.000 -1.245) 1.245 3.516 ( 0.000 0.000 16.035) 16.035 3.655 ( 0.000 0.000 -1.835) 1.835 3.894 ( 0.000 0.000 -5.640) 5.640 4.038 ( 0.000 0.000 6.573) 6.573 4.084 ( 0.000 0.000 -7.678) 7.678 4.157 ( 0.000 0.000 5.749) 5.749 4.347 ( 0.000 0.000 -8.995) 8.995 4.518 ( 0.000 0.000 1.133) 1.133 4.691 ( 0.000 0.000 16.241) 16.241 4.848 ( 0.000 0.000 4.160) 4.160 5.126 ( 0.000 0.000 3.257) 3.257 5.842 ( 0.000 0.000 0.054) 0.054 5.929 ( 0.000 0.000 -3.609) 3.609 5.958 ( 0.000 0.000 -2.293) 2.293 6.007 ( 0.000 0.000 5.639) 5.639 6.952 ( 0.000 0.000 -8.025) 8.025 7.098 ( 0.000 0.000 -12.208) 12.208 7.102 ( 0.000 0.000 -17.837) 17.837 7.260 ( 0.000 0.000 -11.248) 11.248 7.562 ( 0.000 0.000 -8.964) 8.964 7.663 ( 0.000 0.000 -11.725) 11.725 7.773 ( 0.000 0.000 2.567) 2.567 8.000 ( 0.000 0.000 0.774) 0.774 8.130 ( 0.000 0.000 -0.089) 0.089 8.419 ( 0.000 0.000 -0.077) 0.077 8.453 ( 0.000 0.000 0.837) 0.837 8.690 ( 0.000 0.000 16.682) 16.682 8.707 ( 0.000 0.000 5.503) 5.503 8.720 ( 0.000 0.000 -23.748) 23.748 9.030 ( 0.000 0.000 6.021) 6.021 9.166 ( 0.000 0.000 -18.376) 18.376 9.402 ( 0.000 0.000 -5.497) 5.497 9.838 ( 0.000 0.000 6.468) 6.468 9.862 ( 0.000 0.000 -0.042) 0.042 10.008 ( 0.000 0.000 8.396) 8.396 10.059 ( 0.000 0.000 -9.171) 9.171 10.132 ( 0.000 0.000 -2.724) 2.724 10.303 ( 0.000 0.000 8.830) 8.830 10.885 ( 0.000 0.000 -3.428) 3.428 11.027 ( 0.000 0.000 6.835) 6.835 11.106 ( 0.000 0.000 -21.156) 21.156 11.250 ( 0.000 0.000 -1.348) 1.348 11.622 ( 0.000 0.000 9.448) 9.448 11.660 ( 0.000 0.000 -9.141) 9.141 11.725 ( 0.000 0.000 -4.442) 4.442 11.835 ( 0.000 0.000 -1.598) 1.598 12.041 ( 0.000 0.000 -11.452) 11.452 12.336 ( 0.000 0.000 -12.562) 12.562 12.466 ( 0.000 0.000 3.818) 3.818 12.512 ( 0.000 0.000 -10.343) 10.343 12.620 ( 0.000 0.000 -3.305) 3.305 12.741 ( 0.000 0.000 -0.725) 0.725 13.095 ( 0.000 0.000 6.745) 6.745 13.367 ( 0.000 0.000 8.046) 8.046 13.478 ( 0.000 0.000 4.920) 4.920 13.713 ( 0.000 0.000 4.005) 4.005 13.836 ( 0.000 0.000 -0.367) 0.367 14.542 ( 0.000 0.000 -0.701) 0.701 15.021 ( 0.000 0.000 3.117) 3.117 15.097 ( 0.000 0.000 -2.475) 2.475 15.659 ( 0.000 0.000 0.777) 0.777 15.845 ( 0.000 0.000 -3.044) 3.044 16.826 ( 0.000 0.000 -1.355) 1.355 22.072 ( 0.000 0.000 2.373) 2.373 22.150 ( 0.000 0.000 3.641) 3.641 22.697 ( 0.000 0.000 -4.918) 4.918 22.828 ( 0.000 0.000 -3.942) 3.942 23.107 ( 0.000 0.000 1.850) 1.850 23.373 ( 0.000 0.000 -0.036) 0.036 23.449 ( 0.000 0.000 1.412) 1.412 23.750 ( 0.000 0.000 1.111) 1.111 23.846 ( 0.000 0.000 3.350) 3.350 23.851 ( 0.000 0.000 6.989) 6.989 23.958 ( 0.000 0.000 5.661) 5.661 24.290 ( 0.000 0.000 1.108) 1.108 24.563 ( 0.000 0.000 2.222) 2.222 25.016 ( 0.000 0.000 11.111) 11.111 25.345 ( 0.000 0.000 -11.410) 11.410 26.080 ( 0.000 0.000 -5.430) 5.430 ======================= Grid point 91 (32/90) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 15.362 0.000 26.836) 30.922 1.823 ( 20.587 0.000 31.734) 37.827 2.530 ( -10.087 0.000 8.498) 13.189 3.051 ( 14.773 0.000 57.495) 59.363 3.287 ( -18.870 0.000 18.923) 26.724 3.370 ( 7.382 0.000 -1.785) 7.595 3.643 ( -1.237 0.000 -1.783) 2.170 3.869 ( -1.996 0.000 -4.808) 5.206 4.029 ( -4.531 0.000 -6.369) 7.816 4.084 ( 2.222 0.000 2.411) 3.279 4.212 ( 4.339 0.000 3.636) 5.662 4.443 ( 2.775 0.000 -4.696) 5.455 4.487 ( -3.172 0.000 1.518) 3.517 4.601 ( -2.774 0.000 18.544) 18.751 4.867 ( 1.755 0.000 4.703) 5.020 5.082 ( -5.109 0.000 1.737) 5.397 5.862 ( 1.953 0.000 -0.088) 1.955 5.923 ( 3.125 0.000 -4.393) 5.391 5.956 ( -0.333 0.000 -1.980) 2.008 6.152 ( 8.804 0.000 2.570) 9.172 6.896 ( -9.885 0.000 -8.801) 13.236 6.996 ( 4.537 0.000 -8.420) 9.565 7.065 ( -17.805 0.000 -12.333) 21.659 7.278 ( 1.496 0.000 -11.823) 11.917 7.510 ( -4.847 0.000 -8.456) 9.746 7.599 ( 4.179 0.000 -6.719) 7.912 7.618 ( -4.626 0.000 -12.182) 13.030 8.000 ( -0.088 0.000 -1.283) 1.286 8.378 ( -2.186 0.000 0.237) 2.198 8.442 ( -1.609 0.000 2.320) 2.824 8.494 ( 11.583 0.000 -5.268) 12.724 8.644 ( 0.575 0.000 5.083) 5.116 8.712 ( -2.080 0.000 -17.502) 17.625 8.752 ( 5.274 0.000 14.955) 15.858 9.015 ( -1.741 0.000 7.993) 8.180 9.118 ( 2.636 0.000 -14.349) 14.589 9.501 ( 5.092 0.000 -4.599) 6.862 9.856 ( 1.113 0.000 2.932) 3.136 9.871 ( 0.873 0.000 2.956) 3.082 9.910 ( -3.837 0.000 4.610) 5.998 10.201 ( 7.452 0.000 -4.352) 8.630 10.240 ( 10.415 0.000 -5.683) 11.865 10.347 ( 4.909 0.000 5.356) 7.265 10.869 ( -4.264 0.000 -7.957) 9.027 11.013 ( -4.288 0.000 -8.995) 9.964 11.014 ( -1.383 0.000 4.217) 4.438 11.236 ( -3.213 0.000 -3.349) 4.641 11.441 ( -20.086 0.000 1.047) 20.113 11.701 ( 1.233 0.000 -4.944) 5.095 11.714 ( 8.886 0.000 4.167) 9.815 11.866 ( 6.070 0.000 -13.880) 15.149 12.071 ( -2.444 0.000 -8.673) 9.011 12.321 ( -4.282 0.000 -8.785) 9.773 12.377 ( -9.274 0.000 -6.775) 11.485 12.541 ( 4.162 0.000 1.774) 4.525 12.710 ( 9.803 0.000 -4.313) 10.710 12.756 ( 0.277 0.000 -1.253) 1.284 13.101 ( -0.626 0.000 3.788) 3.840 13.407 ( 3.892 0.000 7.144) 8.136 13.556 ( 7.801 0.000 3.883) 8.714 13.685 ( -2.843 0.000 4.127) 5.011 13.842 ( 0.229 0.000 0.427) 0.485 14.592 ( 5.162 0.000 -0.140) 5.164 14.989 ( -2.964 0.000 2.316) 3.761 15.070 ( -2.108 0.000 -0.661) 2.209 15.557 ( -11.114 0.000 -1.047) 11.163 15.905 ( 6.916 0.000 1.727) 7.129 16.643 ( -15.576 0.000 3.040) 15.870 22.078 ( 0.640 0.000 2.455) 2.537 22.141 ( -0.892 0.000 3.460) 3.573 22.711 ( 1.391 0.000 -4.765) 4.964 22.817 ( -1.144 0.000 -3.996) 4.156 23.126 ( 2.413 0.000 2.013) 3.143 23.368 ( -2.251 0.000 2.176) 3.131 23.545 ( 8.307 0.000 -1.362) 8.418 23.740 ( -1.018 0.000 1.632) 1.923 23.855 ( 0.884 0.000 5.928) 5.994 23.883 ( 3.047 0.000 2.374) 3.862 23.958 ( 1.010 0.000 4.669) 4.777 24.274 ( -1.915 0.000 0.540) 1.990 24.572 ( 1.180 0.000 2.064) 2.377 24.904 ( -8.794 0.000 5.851) 10.562 25.460 ( 9.269 0.000 -6.631) 11.396 26.003 ( -7.270 0.000 -3.659) 8.139 ======================= Grid point 92 (33/90) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 20.247 0.000 19.072) 27.815 2.265 ( -17.068 0.000 12.679) 21.262 2.297 ( 26.971 0.000 24.855) 36.677 2.813 ( -25.868 0.000 21.395) 33.569 3.479 ( 24.392 0.000 43.430) 49.811 3.519 ( 6.877 0.000 -2.423) 7.292 3.608 ( -2.645 0.000 -1.974) 3.300 3.853 ( 1.239 0.000 -4.571) 4.736 3.926 ( -5.589 0.000 -5.911) 8.135 3.928 ( -19.504 0.000 22.706) 29.932 4.306 ( 5.235 0.000 2.930) 5.999 4.406 ( -4.971 0.000 2.268) 5.464 4.488 ( 8.690 0.000 -0.367) 8.698 4.638 ( -2.059 0.000 0.691) 2.172 4.903 ( 1.735 0.000 5.818) 6.071 4.957 ( -5.400 0.000 2.691) 6.033 5.906 ( 2.295 0.000 -0.529) 2.355 5.941 ( -1.285 0.000 -1.247) 1.791 6.047 ( 8.912 0.000 -4.162) 9.836 6.209 ( -4.776 0.000 -0.977) 4.875 6.747 ( -5.522 0.000 -4.770) 7.297 6.758 ( -7.289 0.000 -6.574) 9.816 7.120 ( 8.094 0.000 -9.445) 12.439 7.268 ( -5.001 0.000 -11.560) 12.595 7.438 ( 0.237 0.000 -9.248) 9.251 7.510 ( -5.675 0.000 -11.885) 13.170 7.803 ( 12.407 0.000 -15.087) 19.533 7.976 ( -4.122 0.000 -8.627) 9.561 8.367 ( 0.932 0.000 1.288) 1.590 8.401 ( -2.282 0.000 2.214) 3.180 8.447 ( -3.796 0.000 -5.868) 6.989 8.488 ( -8.514 0.000 -8.934) 12.341 8.861 ( 5.648 0.000 13.333) 14.480 8.958 ( -4.190 0.000 11.175) 11.934 8.977 ( 14.895 0.000 -2.053) 15.036 9.171 ( -3.563 0.000 -5.238) 6.335 9.631 ( 10.955 0.000 -2.499) 11.236 9.826 ( -6.839 0.000 2.884) 7.422 9.872 ( 0.697 0.000 1.682) 1.821 9.881 ( -0.047 0.000 3.423) 3.423 10.395 ( 6.462 0.000 -1.509) 6.636 10.409 ( 13.286 0.000 -7.284) 15.152 10.454 ( 2.523 0.000 -3.753) 4.522 10.674 ( -13.420 0.000 -10.196) 16.854 10.986 ( -0.220 0.000 1.766) 1.779 11.035 ( 4.388 0.000 -1.738) 4.719 11.093 ( -12.918 0.000 0.691) 12.936 11.139 ( -5.914 0.000 -1.850) 6.197 11.784 ( 7.157 0.000 -4.020) 8.208 11.925 ( 12.219 0.000 -1.977) 12.378 11.949 ( -8.797 0.000 -7.716) 11.702 12.015 ( 8.690 0.000 -11.710) 14.582 12.164 ( -12.251 0.000 -5.454) 13.410 12.185 ( -8.579 0.000 -8.600) 12.147 12.639 ( 5.368 0.000 1.648) 5.616 12.727 ( -3.328 0.000 0.001) 3.328 12.910 ( 9.299 0.000 -3.366) 9.889 13.047 ( -4.984 0.000 -0.250) 4.990 13.503 ( 5.646 0.000 5.571) 7.932 13.608 ( -4.989 0.000 4.570) 6.766 13.723 ( 7.862 0.000 2.215) 8.168 13.824 ( -2.649 0.000 1.595) 3.092 14.731 ( 8.735 0.000 -0.059) 8.735 14.893 ( -7.251 0.000 -0.731) 7.288 15.088 ( 5.625 0.000 3.777) 6.775 15.290 ( -14.232 0.000 3.186) 14.584 16.091 ( 11.693 0.000 2.951) 12.059 16.343 ( -14.573 0.000 3.963) 15.102 22.095 ( 1.131 0.000 2.696) 2.924 22.119 ( -1.281 0.000 3.068) 3.325 22.746 ( 2.091 0.000 -4.446) 4.913 22.786 ( -1.943 0.000 -4.164) 4.595 23.199 ( 4.848 0.000 2.267) 5.352 23.296 ( -4.827 0.000 2.543) 5.456 23.664 ( 3.746 0.000 1.232) 3.943 23.713 ( -1.832 0.000 2.078) 2.770 23.877 ( 1.293 0.000 6.262) 6.395 23.900 ( -0.929 0.000 5.452) 5.530 24.066 ( 8.530 0.000 -2.623) 8.924 24.206 ( -5.401 0.000 -1.337) 5.564 24.621 ( 4.185 0.000 1.673) 4.507 24.738 ( -7.832 0.000 2.296) 8.161 25.648 ( 9.921 0.000 -3.503) 10.521 25.836 ( -9.518 0.000 -2.375) 9.810 ======================= Grid point 95 (34/90) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 0.000 13.081 32.074) 34.639 1.833 ( 0.000 35.068 23.910) 42.443 2.850 ( 0.000 18.908 7.055) 20.181 2.975 ( 0.000 8.745 57.557) 58.217 3.424 ( 0.000 1.139 4.858) 4.990 3.446 ( 0.000 9.148 4.684) 10.277 3.837 ( 0.000 -7.249 -0.026) 7.249 3.849 ( 0.000 12.759 4.947) 13.684 4.023 ( 0.000 8.778 -4.237) 9.748 4.229 ( 0.000 5.797 8.721) 10.472 4.308 ( 0.000 -3.450 -7.323) 8.095 4.324 ( 0.000 12.224 2.472) 12.472 4.526 ( 0.000 0.226 6.538) 6.542 4.755 ( 0.000 -6.648 8.232) 10.581 4.816 ( 0.000 11.155 5.304) 12.352 5.104 ( 0.000 -1.412 1.519) 2.074 5.804 ( 0.000 -3.664 -0.742) 3.738 5.843 ( 0.000 -1.318 -6.459) 6.592 5.998 ( 0.000 -0.847 5.381) 5.447 6.138 ( 0.000 9.375 -2.542) 9.714 6.825 ( 0.000 -10.104 -13.110) 16.552 6.960 ( 0.000 -10.086 -8.563) 13.231 7.230 ( 0.000 9.929 -13.223) 16.536 7.343 ( 0.000 3.415 -13.265) 13.698 7.575 ( 0.000 1.474 -5.372) 5.570 7.660 ( 0.000 0.434 -9.597) 9.607 7.750 ( 0.000 -1.557 -0.952) 1.825 8.062 ( 0.000 5.402 -2.532) 5.965 8.121 ( 0.000 0.819 -0.450) 0.934 8.382 ( 0.000 -4.007 -0.679) 4.064 8.405 ( 0.000 -1.488 -6.529) 6.697 8.717 ( 0.000 1.774 12.392) 12.518 8.789 ( 0.000 5.873 -16.834) 17.829 8.873 ( 0.000 12.040 4.079) 12.712 9.023 ( 0.000 -0.432 5.932) 5.947 9.103 ( 0.000 -4.424 -11.319) 12.153 9.368 ( 0.000 -3.019 -4.953) 5.801 9.771 ( 0.000 -5.913 0.550) 5.939 9.798 ( 0.000 -3.830 4.453) 5.874 10.048 ( 0.000 -0.574 3.211) 3.262 10.065 ( 0.000 -1.719 -8.351) 8.526 10.202 ( 0.000 8.757 -3.921) 9.595 10.428 ( 0.000 10.579 5.050) 11.722 10.872 ( 0.000 -2.548 -4.810) 5.444 10.962 ( 0.000 -5.207 6.803) 8.567 11.049 ( 0.000 -4.774 -19.008) 19.599 11.150 ( 0.000 -8.449 -2.357) 8.771 11.560 ( 0.000 -2.044 2.509) 3.236 11.689 ( 0.000 1.490 -8.967) 9.090 11.838 ( 0.000 1.088 -0.311) 1.131 11.918 ( 0.000 13.114 3.334) 13.531 11.982 ( 0.000 -4.381 -10.159) 11.064 12.199 ( 0.000 -11.091 -6.103) 12.660 12.377 ( 0.000 -9.356 -9.129) 13.072 12.412 ( 0.000 -4.328 3.041) 5.289 12.662 ( 0.000 1.313 -0.917) 1.602 12.817 ( 0.000 4.055 -1.213) 4.233 13.062 ( 0.000 0.352 5.881) 5.891 13.366 ( 0.000 -1.433 9.121) 9.233 13.669 ( 0.000 15.234 -0.074) 15.234 13.716 ( 0.000 -0.071 1.812) 1.813 13.832 ( 0.000 -0.169 0.398) 0.433 14.502 ( 0.000 -4.006 0.278) 4.015 15.052 ( 0.000 3.212 2.093) 3.834 15.062 ( 0.000 -3.320 -2.400) 4.097 15.606 ( 0.000 -4.795 0.189) 4.799 15.833 ( 0.000 -1.268 -2.856) 3.125 16.423 ( 0.000 -30.140 10.175) 31.811 22.179 ( 0.000 5.074 2.912) 5.851 22.491 ( 0.000 29.551 -9.955) 31.183 22.726 ( 0.000 2.250 -3.106) 3.835 22.830 ( 0.000 0.313 -3.280) 3.295 23.098 ( 0.000 -0.901 1.798) 2.011 23.425 ( 0.000 4.764 -1.224) 4.919 23.481 ( 0.000 2.841 -0.212) 2.849 23.754 ( 0.000 0.278 1.199) 1.231 23.848 ( 0.000 0.192 3.336) 3.341 23.849 ( 0.000 -0.152 6.929) 6.930 23.962 ( 0.000 0.544 5.757) 5.783 24.295 ( 0.000 0.474 1.265) 1.351 24.580 ( 0.000 1.686 2.479) 2.998 24.983 ( 0.000 -3.021 10.709) 11.127 25.273 ( 0.000 -6.695 -9.834) 11.897 25.902 ( 0.000 -14.530 -0.376) 14.534 ======================= Grid point 96 (35/90) ======================= q-point: ( 0.20 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 10.259 17.792 27.830) 34.587 2.040 ( 17.246 23.533 23.050) 37.182 2.742 ( -10.231 18.067 9.512) 22.838 3.136 ( 13.544 8.841 50.676) 53.194 3.263 ( -14.339 0.379 15.902) 21.415 3.515 ( 7.521 11.907 -2.874) 14.374 3.810 ( -2.561 13.220 4.400) 14.167 3.880 ( 1.594 -5.995 -0.163) 6.206 3.993 ( -2.724 8.831 -3.518) 9.889 4.197 ( 0.121 4.583 -0.910) 4.674 4.294 ( 3.211 3.993 2.342) 5.634 4.442 ( -6.012 1.875 2.723) 6.861 4.507 ( 5.012 2.831 5.333) 7.847 4.739 ( -3.966 12.181 7.738) 14.967 4.787 ( 2.636 -7.152 7.279) 10.540 5.058 ( -5.657 -1.562 0.484) 5.889 5.791 ( 0.128 -4.378 -2.892) 5.248 5.869 ( 1.876 -1.891 -4.872) 5.553 6.050 ( 3.632 1.696 2.319) 4.631 6.182 ( 4.106 4.487 0.193) 6.086 6.723 ( -6.362 -10.583 -8.360) 14.912 7.022 ( 0.931 -4.783 -11.929) 12.886 7.103 ( -15.672 2.651 -10.470) 19.033 7.279 ( -4.778 -0.489 -9.648) 10.777 7.503 ( 1.507 3.081 -4.285) 5.489 7.602 ( -0.725 4.703 -11.270) 12.233 7.735 ( 1.239 6.026 -10.241) 11.947 8.066 ( 0.034 5.586 -4.159) 6.965 8.319 ( 1.951 -3.823 -2.263) 4.852 8.402 ( 2.614 0.835 -3.866) 4.741 8.547 ( 18.868 -3.462 2.367) 19.329 8.679 ( -6.615 2.845 -5.270) 8.923 8.744 ( -6.783 3.909 -2.631) 8.259 8.810 ( -1.249 6.905 5.535) 8.937 9.025 ( -0.087 0.963 6.940) 7.007 9.103 ( 2.298 -1.715 -10.882) 11.254 9.449 ( 6.517 -3.977 -2.704) 8.100 9.748 ( -0.793 -5.358 4.445) 7.007 9.817 ( 0.707 -3.807 1.789) 4.265 10.031 ( -2.214 3.636 -1.326) 4.459 10.150 ( 7.642 -4.066 -2.651) 9.053 10.283 ( 7.769 4.421 -5.758) 10.633 10.467 ( 3.664 9.521 1.864) 10.371 10.794 ( -8.418 -6.650 -8.313) 13.572 10.910 ( -2.028 -4.228 0.809) 4.758 11.038 ( -3.018 -5.581 -3.743) 7.367 11.200 ( 2.878 -1.136 -5.763) 6.541 11.473 ( -15.773 1.398 -0.811) 15.855 11.547 ( 0.176 -3.607 1.108) 3.778 11.847 ( 3.659 -1.474 -13.811) 14.364 11.935 ( 2.482 8.273 1.360) 8.744 12.022 ( -0.800 -2.213 -5.947) 6.396 12.196 ( -5.302 -6.922 -7.768) 11.677 12.410 ( 0.513 -1.436 -4.199) 4.468 12.470 ( 8.088 -8.064 0.262) 11.424 12.615 ( -2.123 -0.550 0.797) 2.334 12.850 ( 2.690 2.888 -0.374) 3.964 13.063 ( -0.671 -0.239 4.453) 4.509 13.441 ( 6.838 -0.671 7.863) 10.442 13.682 ( 1.942 10.863 -1.035) 11.083 13.716 ( -0.819 3.156 2.385) 4.040 13.828 ( -0.215 -0.712 0.948) 1.205 14.549 ( 4.899 -4.275 0.666) 6.536 15.002 ( -4.723 -0.888 -1.310) 4.981 15.055 ( -0.380 0.902 1.882) 2.121 15.496 ( -11.175 -5.379 0.592) 12.417 15.876 ( 5.136 -2.691 0.982) 5.881 16.344 ( -7.096 -22.892 7.783) 25.198 22.186 ( 0.755 5.956 2.778) 6.615 22.394 ( -7.211 21.780 -4.080) 23.303 22.742 ( 1.595 2.567 -3.134) 4.354 22.848 ( 0.226 3.858 -4.473) 5.911 23.116 ( 2.895 -0.909 1.785) 3.520 23.411 ( -2.945 4.063 0.752) 5.074 23.574 ( 7.705 2.572 -2.136) 8.399 23.745 ( -0.892 0.393 1.662) 1.927 23.855 ( 0.920 -0.017 6.179) 6.248 23.890 ( 3.643 0.621 1.726) 4.079 23.959 ( 0.665 0.132 4.777) 4.825 24.280 ( -1.726 0.662 0.667) 1.965 24.585 ( 0.725 1.309 2.344) 2.781 24.873 ( -8.424 -2.854 5.566) 10.493 25.388 ( 8.953 -6.724 -5.298) 12.387 25.850 ( -5.095 -12.795 -0.264) 13.774 ======================= Grid point 97 (36/90) ======================= q-point: ( 0.40 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 18.651 16.349 20.583) 32.231 2.407 ( 12.351 14.126 16.338) 24.880 2.493 ( -7.452 16.723 17.939) 25.632 2.863 ( -22.250 6.263 18.395) 29.541 3.492 ( 16.376 4.370 33.500) 37.543 3.712 ( -6.408 6.358 8.933) 12.700 3.718 ( 12.860 13.471 3.043) 18.871 3.902 ( 0.272 5.159 0.694) 5.212 3.947 ( -1.630 7.205 -2.989) 7.969 4.083 ( -15.387 9.250 3.607) 18.312 4.356 ( 6.416 4.424 5.684) 9.646 4.463 ( 6.908 -1.814 -1.492) 7.296 4.486 ( -2.783 6.059 4.451) 8.016 4.674 ( -7.347 2.726 0.214) 7.840 4.859 ( 3.749 -2.869 7.754) 9.078 4.926 ( -5.083 -1.905 3.796) 6.624 5.829 ( 3.104 -5.231 -3.633) 7.085 5.878 ( -1.318 -3.888 -4.434) 6.042 6.133 ( 5.393 4.068 0.900) 6.815 6.222 ( -1.786 1.495 1.884) 2.996 6.648 ( -0.656 -7.158 -5.440) 9.014 6.743 ( -12.135 -0.393 -6.519) 13.781 7.109 ( 3.696 -4.731 -11.960) 13.383 7.189 ( -4.642 -5.655 -10.887) 13.117 7.552 ( 1.908 9.161 -8.460) 12.614 7.587 ( -1.550 9.010 -10.499) 13.921 7.854 ( 10.619 4.389 -14.987) 18.884 8.030 ( -5.342 4.261 -10.495) 12.524 8.334 ( 2.707 -0.437 -2.109) 3.460 8.462 ( -1.082 7.448 0.521) 7.544 8.474 ( -5.706 -0.745 -9.813) 11.376 8.583 ( -7.623 7.176 0.795) 10.499 8.856 ( 7.798 -1.062 8.599) 11.657 8.890 ( 7.033 -3.619 2.758) 8.377 9.003 ( 0.609 1.077 6.401) 6.519 9.117 ( -4.208 -4.765 -5.178) 8.199 9.622 ( 11.282 -1.454 -2.094) 11.567 9.748 ( -0.728 -3.819 3.868) 5.484 9.828 ( 1.521 -4.127 1.244) 4.571 9.933 ( -7.677 1.625 -0.770) 7.884 10.343 ( 11.350 -5.297 -4.951) 13.468 10.439 ( 7.078 2.914 -4.917) 9.098 10.521 ( -0.482 3.385 -2.972) 4.530 10.603 ( -10.013 -3.496 -8.187) 13.398 10.871 ( -1.072 -6.480 1.199) 6.677 10.931 ( -6.958 -7.459 -0.995) 10.249 11.212 ( 0.959 8.643 -0.546) 8.713 11.273 ( -5.080 6.991 -3.091) 9.178 11.644 ( 9.025 -8.058 -2.442) 12.342 11.843 ( -10.111 -7.949 -5.062) 13.822 11.926 ( 5.259 -3.894 -12.402) 14.023 12.052 ( -7.356 -5.942 -11.324) 14.753 12.131 ( 9.401 9.074 -0.333) 13.070 12.315 ( -8.694 6.869 -1.627) 11.199 12.598 ( 4.089 -4.238 -0.545) 5.915 12.632 ( 1.045 -6.738 0.436) 6.833 12.923 ( 5.089 0.884 1.525) 5.385 13.018 ( -4.002 -0.538 2.864) 4.951 13.572 ( 5.967 2.356 4.888) 8.065 13.667 ( -3.889 4.434 2.484) 6.400 13.753 ( 4.402 3.659 0.155) 5.727 13.815 ( -1.710 0.308 1.296) 2.168 14.689 ( 9.277 -4.372 0.312) 10.261 14.871 ( -8.722 -2.951 -1.506) 9.330 15.086 ( 4.574 0.837 4.093) 6.195 15.249 ( -12.125 -3.028 4.409) 13.253 16.015 ( 8.584 -6.511 2.193) 10.995 16.186 ( -8.903 -12.769 3.830) 16.031 22.213 ( 2.189 8.632 2.254) 9.186 22.277 ( -4.672 13.611 0.616) 14.404 22.782 ( 2.356 3.078 -3.275) 5.074 22.826 ( -2.060 3.904 -3.773) 5.807 23.208 ( 5.971 1.069 1.165) 6.177 23.324 ( -5.724 2.839 1.062) 6.477 23.679 ( 3.176 1.317 1.194) 3.639 23.721 ( -1.590 0.700 2.065) 2.699 23.879 ( 1.421 0.162 6.321) 6.481 23.906 ( -1.201 0.513 5.646) 5.795 24.072 ( 8.887 0.475 -3.225) 9.466 24.215 ( -5.405 0.811 -1.459) 5.657 24.620 ( 3.286 0.087 2.013) 3.854 24.719 ( -6.980 -1.647 2.434) 7.574 25.563 ( 8.933 -7.706 -2.495) 12.058 25.724 ( -7.674 -9.801 -0.852) 12.477 ======================= Grid point 100 (37/90) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 0.000 21.620 22.336) 31.086 2.527 ( 0.000 26.516 26.261) 37.320 3.292 ( 0.000 18.263 8.012) 19.943 3.318 ( 0.000 23.328 31.940) 39.552 3.417 ( 0.000 1.521 11.923) 12.020 3.739 ( 0.000 -0.454 1.044) 1.139 3.753 ( 0.000 13.390 1.539) 13.478 4.074 ( 0.000 5.680 0.761) 5.731 4.214 ( 0.000 6.090 0.026) 6.090 4.252 ( 0.000 1.314 9.841) 9.929 4.389 ( 0.000 10.581 8.890) 13.820 4.449 ( 0.000 1.076 19.404) 19.433 4.512 ( 0.000 -4.723 4.458) 6.495 4.728 ( 0.000 9.846 -1.582) 9.972 5.091 ( 0.000 0.131 -4.743) 4.745 5.128 ( 0.000 14.335 3.919) 14.861 5.699 ( 0.000 -5.252 -2.948) 6.022 5.857 ( 0.000 1.409 -7.506) 7.637 5.978 ( 0.000 -0.487 4.095) 4.123 6.303 ( 0.000 5.760 -2.950) 6.471 6.580 ( 0.000 -11.856 -13.014) 17.604 6.706 ( 0.000 -13.903 -6.349) 15.284 7.389 ( 0.000 2.379 -10.347) 10.617 7.427 ( 0.000 6.250 -15.035) 16.282 7.648 ( 0.000 4.668 -3.768) 5.998 7.680 ( 0.000 1.232 -8.488) 8.577 7.736 ( 0.000 2.089 -2.352) 3.145 8.152 ( 0.000 3.621 -10.414) 11.025 8.206 ( 0.000 3.931 -2.078) 4.447 8.364 ( 0.000 3.342 -3.180) 4.613 8.367 ( 0.000 -1.507 -11.728) 11.825 8.748 ( 0.000 2.987 4.164) 5.125 8.918 ( 0.000 5.060 -9.532) 10.792 9.017 ( 0.000 -0.404 5.772) 5.786 9.030 ( 0.000 -2.410 -0.582) 2.479 9.139 ( 0.000 12.409 3.023) 12.772 9.301 ( 0.000 -2.111 -3.885) 4.421 9.653 ( 0.000 -5.609 1.179) 5.732 9.716 ( 0.000 -3.015 1.688) 3.456 9.982 ( 0.000 -4.466 1.431) 4.689 9.983 ( 0.000 -5.760 -8.529) 10.292 10.387 ( 0.000 5.838 -8.572) 10.372 10.568 ( 0.000 -4.383 -2.532) 5.062 10.733 ( 0.000 -15.398 -4.044) 15.920 10.862 ( 0.000 5.466 -1.082) 5.572 10.943 ( 0.000 -4.282 -14.741) 15.351 11.028 ( 0.000 -1.108 2.554) 2.784 11.515 ( 0.000 -2.613 -2.140) 3.378 11.655 ( 0.000 -5.134 -5.584) 7.585 11.880 ( 0.000 -9.367 -2.287) 9.642 11.920 ( 0.000 6.760 4.881) 8.338 11.961 ( 0.000 -6.012 -9.467) 11.215 12.177 ( 0.000 -6.754 -12.173) 13.921 12.229 ( 0.000 14.086 11.697) 18.310 12.348 ( 0.000 -0.717 2.770) 2.862 12.662 ( 0.000 -1.140 3.777) 3.945 12.823 ( 0.000 -3.992 3.583) 5.364 13.146 ( 0.000 6.730 4.253) 7.961 13.301 ( 0.000 -4.788 9.974) 11.063 13.694 ( 0.000 -2.061 -1.204) 2.387 13.838 ( 0.000 0.812 1.300) 1.533 14.017 ( 0.000 16.738 -6.024) 17.789 14.372 ( 0.000 -8.153 2.555) 8.544 14.964 ( 0.000 -5.864 -2.862) 6.525 15.162 ( 0.000 7.063 0.172) 7.065 15.479 ( 0.000 -6.632 -0.579) 6.657 15.786 ( 0.000 -3.291 -2.577) 4.180 15.842 ( 0.000 -22.410 12.645) 25.731 22.317 ( 0.000 7.790 3.667) 8.610 22.765 ( 0.000 0.862 1.004) 1.324 22.846 ( 0.000 1.306 -1.958) 2.353 23.038 ( 0.000 7.385 -4.941) 8.886 23.109 ( 0.000 14.253 -11.112) 18.073 23.544 ( 0.000 4.272 -5.074) 6.633 23.569 ( 0.000 6.687 -1.977) 6.973 23.761 ( 0.000 0.345 1.556) 1.593 23.845 ( 0.000 -0.218 6.679) 6.682 23.852 ( 0.000 0.042 3.312) 3.313 23.995 ( 0.000 3.098 5.410) 6.234 24.313 ( 0.000 1.266 1.624) 2.059 24.641 ( 0.000 4.266 2.925) 5.173 24.897 ( 0.000 -4.760 9.509) 10.634 25.076 ( 0.000 -11.550 -5.391) 12.746 25.573 ( 0.000 -15.440 2.602) 15.657 ======================= Grid point 101 (38/90) ======================= q-point: ( 0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 9.160 20.708 21.424) 31.172 2.614 ( 8.614 24.778 24.513) 35.903 3.141 ( -13.032 15.318 12.392) 23.623 3.352 ( -6.990 9.165 12.029) 16.660 3.463 ( 11.013 21.199 29.891) 38.264 3.744 ( 2.820 2.980 -0.539) 4.138 3.822 ( 4.852 5.591 2.181) 7.717 4.077 ( -0.837 0.584 0.296) 1.063 4.134 ( -5.627 10.326 11.108) 16.177 4.257 ( 4.263 4.683 -1.143) 6.435 4.414 ( 0.874 5.688 5.906) 8.246 4.468 ( -0.403 4.776 9.631) 10.758 4.597 ( 6.136 -6.874 12.554) 15.572 4.699 ( -2.205 10.554 -0.358) 10.787 4.982 ( -7.569 4.864 -2.536) 9.348 5.090 ( -6.155 7.294 2.555) 9.881 5.704 ( 1.037 -3.283 -3.561) 4.953 5.851 ( -0.585 0.304 -6.450) 6.484 6.039 ( 5.083 -1.248 4.292) 6.768 6.288 ( -0.830 3.638 -1.740) 4.117 6.511 ( -3.436 -9.020 -7.197) 12.040 6.812 ( 7.136 -12.744 -11.271) 18.449 7.148 ( -21.131 2.529 -9.428) 23.276 7.267 ( -9.706 -0.060 -9.832) 13.816 7.689 ( 4.328 8.653 -10.183) 14.046 7.721 ( 5.169 8.965 -4.623) 11.334 7.856 ( 6.089 5.206 -9.640) 12.534 8.175 ( 0.393 4.466 -11.896) 12.712 8.347 ( 3.105 4.091 -4.300) 6.698 8.405 ( 9.300 -1.259 -4.109) 10.245 8.434 ( 8.425 -2.614 -3.948) 9.664 8.734 ( -1.274 1.534 5.173) 5.544 8.825 ( -6.432 6.200 -7.563) 11.705 8.976 ( -6.317 2.486 0.944) 6.854 9.042 ( -0.104 -3.225 -6.200) 6.990 9.094 ( -1.933 8.501 5.699) 10.416 9.365 ( 6.635 -3.577 -0.413) 7.549 9.665 ( 1.862 -3.956 2.156) 4.875 9.730 ( 0.053 -2.594 2.553) 3.640 10.007 ( 0.221 -4.552 -7.114) 8.448 10.040 ( 5.961 -6.202 -0.924) 8.652 10.384 ( 0.799 1.279 -6.906) 7.069 10.526 ( -4.820 -8.027 -3.723) 10.076 10.700 ( -2.880 -9.806 -4.303) 11.089 10.815 ( -2.005 5.272 -2.931) 6.357 10.914 ( -2.701 -2.554 -4.790) 6.063 11.164 ( 10.239 -1.477 -3.636) 10.966 11.434 ( -6.500 -3.605 -4.092) 8.485 11.571 ( -6.024 1.789 0.934) 6.353 11.803 ( -4.993 -4.395 -8.184) 10.546 11.846 ( -2.124 -6.057 -3.319) 7.226 12.048 ( -5.035 -6.580 -4.054) 9.224 12.158 ( 4.606 2.991 -6.096) 8.205 12.342 ( 8.630 4.361 6.613) 11.714 12.418 ( 6.006 1.297 2.788) 6.747 12.616 ( -4.208 -0.203 2.880) 5.103 12.847 ( 2.733 -3.237 4.916) 6.490 13.134 ( -1.834 6.367 4.319) 7.909 13.376 ( 7.188 -5.210 7.890) 11.877 13.723 ( 2.268 -2.286 -1.610) 3.601 13.803 ( -2.752 1.842 2.396) 4.087 14.002 ( -1.729 14.337 -4.800) 15.218 14.411 ( 4.279 -8.568 2.623) 9.929 14.909 ( -5.788 -6.613 -2.773) 9.216 15.154 ( -0.529 7.081 0.728) 7.138 15.368 ( -9.162 -5.576 2.788) 11.082 15.790 ( 2.037 -6.262 1.913) 6.857 15.896 ( 2.478 -16.824 3.958) 17.460 22.340 ( 2.432 8.316 3.304) 9.273 22.721 ( -9.186 7.261 -2.704) 12.018 22.789 ( 1.811 1.118 0.834) 2.286 23.026 ( -5.726 5.264 -2.777) 8.259 23.135 ( 7.113 9.915 -6.720) 13.930 23.532 ( -3.787 6.921 -2.205) 8.192 23.638 ( 6.039 3.040 -3.624) 7.671 23.755 ( -0.612 0.470 1.789) 1.949 23.855 ( 1.160 0.016 6.301) 6.407 23.904 ( 5.496 0.425 -0.027) 5.513 23.975 ( -1.409 2.004 5.262) 5.805 24.301 ( -1.574 1.267 0.867) 2.198 24.636 ( -0.352 3.707 2.800) 4.659 24.794 ( -6.942 -4.170 4.792) 9.410 25.193 ( 8.435 -11.221 -1.435) 14.112 25.547 ( -2.711 -14.783 2.116) 15.177 ======================= Grid point 102 (39/90) ======================= q-point: ( 0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 17.140 17.823 18.583) 30.932 2.801 ( -6.500 18.081 13.068) 23.237 2.864 ( 1.953 18.260 23.406) 29.751 3.128 ( -14.586 17.544 16.596) 28.213 3.684 ( 9.929 13.579 21.680) 27.441 3.821 ( -2.286 4.142 7.596) 8.949 3.893 ( 7.201 3.410 4.327) 9.067 4.024 ( -4.139 -2.978 0.954) 5.187 4.133 ( 5.495 12.074 2.580) 13.514 4.296 ( -8.982 7.677 -1.466) 11.907 4.416 ( 10.412 0.772 0.540) 10.454 4.528 ( 5.190 10.022 8.012) 13.841 4.626 ( -6.376 -4.139 4.597) 8.884 4.635 ( -5.046 8.313 5.804) 11.325 4.877 ( -0.463 2.116 1.666) 2.733 4.952 ( -6.097 4.533 5.856) 9.593 5.749 ( 3.372 -1.471 -4.505) 5.816 5.816 ( -3.107 -1.100 -5.736) 6.615 6.151 ( 6.455 -1.948 5.261) 8.553 6.259 ( -3.631 0.357 3.462) 5.029 6.526 ( 6.638 -3.228 -7.071) 10.222 6.764 ( -17.145 2.591 -7.614) 18.938 6.942 ( 6.441 -8.656 -12.143) 16.244 7.084 ( -8.600 -3.929 -11.298) 14.732 7.782 ( 3.430 8.201 -11.481) 14.520 7.796 ( 1.939 11.959 -7.734) 14.374 7.990 ( 8.691 8.642 -12.572) 17.557 8.140 ( -4.999 7.296 -12.479) 15.296 8.401 ( 3.643 4.266 -4.756) 7.354 8.461 ( -0.600 0.223 -7.872) 7.898 8.602 ( 1.002 2.300 2.758) 3.729 8.678 ( -4.492 1.325 -0.278) 4.692 8.801 ( 6.857 0.613 -3.537) 7.740 8.907 ( 0.047 2.798 3.478) 4.464 9.002 ( -2.435 -3.670 -3.395) 5.561 9.045 ( -4.079 3.467 6.174) 8.172 9.537 ( 10.007 -6.091 -1.345) 11.792 9.685 ( -4.636 -5.550 0.863) 7.283 9.746 ( 6.613 -0.659 0.659) 6.679 9.916 ( -9.063 -3.133 -4.643) 10.654 10.192 ( 9.134 -8.487 -2.764) 12.771 10.366 ( -7.952 -9.789 -4.574) 13.415 10.484 ( 6.130 -4.329 -2.155) 7.808 10.622 ( -6.157 -6.274 -3.418) 9.431 10.802 ( 0.551 4.321 -3.229) 5.422 10.842 ( -3.666 2.360 -2.863) 5.216 11.353 ( 6.690 3.735 -3.509) 8.428 11.370 ( 0.502 0.964 -5.043) 5.159 11.509 ( 1.411 -4.881 -1.862) 5.411 11.657 ( -9.772 -8.263 -4.758) 13.654 11.835 ( 1.094 -4.051 -7.523) 8.615 11.907 ( -6.540 -6.781 -7.617) 12.115 12.297 ( 8.066 4.700 -0.682) 9.360 12.419 ( -2.358 2.277 1.764) 3.722 12.520 ( 2.812 -0.973 1.659) 3.407 12.544 ( -1.411 0.081 3.603) 3.870 12.939 ( 6.589 0.748 5.920) 8.890 13.064 ( -5.488 4.605 4.929) 8.696 13.533 ( 8.193 -5.023 4.748) 10.719 13.674 ( -6.316 -4.113 2.142) 7.836 13.841 ( 5.484 5.305 -0.025) 7.630 13.943 ( -4.464 9.332 -2.197) 10.576 14.542 ( 9.253 -9.244 1.693) 13.188 14.744 ( -10.737 -8.709 -0.904) 13.855 15.156 ( 1.130 5.668 2.044) 6.130 15.216 ( -5.539 0.793 3.805) 6.767 15.850 ( 3.521 -8.784 0.939) 9.510 15.904 ( -1.562 -12.620 0.862) 12.746 22.413 ( 5.253 9.530 2.085) 11.080 22.544 ( -8.329 10.129 -0.241) 13.116 22.844 ( 3.608 1.866 0.242) 4.070 22.924 ( -4.712 3.411 -0.902) 5.887 23.283 ( 7.927 7.496 -4.067) 11.643 23.428 ( -6.818 7.126 -2.882) 10.275 23.711 ( 2.054 1.443 1.003) 2.703 23.738 ( -1.077 0.809 1.992) 2.405 23.885 ( 1.898 0.524 6.206) 6.511 23.925 ( -2.113 1.444 5.712) 6.259 24.076 ( 9.392 -0.399 -4.254) 10.318 24.232 ( -6.043 0.323 -1.912) 6.347 24.639 ( 0.977 2.056 2.719) 3.546 24.685 ( -4.065 -0.822 3.043) 5.143 25.348 ( 7.395 -12.083 -0.097) 14.167 25.470 ( -5.224 -13.383 1.017) 14.403 ======================= Grid point 105 (40/90) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 0.000 23.303 13.934) 27.151 2.954 ( 0.000 15.950 26.320) 30.776 3.381 ( 0.000 -4.521 11.401) 12.265 3.455 ( 0.000 -0.144 6.907) 6.909 3.684 ( 0.000 -0.548 4.689) 4.721 3.753 ( 0.000 -4.505 13.311) 14.053 4.033 ( 0.000 21.578 11.551) 24.475 4.165 ( 0.000 4.229 12.259) 12.968 4.258 ( 0.000 0.151 11.826) 11.827 4.437 ( 0.000 14.643 9.714) 17.572 4.491 ( 0.000 6.013 11.385) 12.875 4.541 ( 0.000 4.853 1.054) 4.966 4.659 ( 0.000 13.307 7.818) 15.433 4.923 ( 0.000 5.475 -0.425) 5.492 5.086 ( 0.000 -1.289 -9.502) 9.589 5.222 ( 0.000 -6.318 3.067) 7.023 5.661 ( 0.000 1.556 -2.079) 2.596 5.859 ( 0.000 -2.056 -4.188) 4.665 6.040 ( 0.000 7.698 -0.032) 7.698 6.337 ( 0.000 -5.116 0.580) 5.149 6.376 ( 0.000 -6.840 -10.944) 12.906 6.430 ( 0.000 -8.417 -9.259) 12.513 7.439 ( 0.000 1.488 -10.870) 10.972 7.476 ( 0.000 -0.583 -11.732) 11.746 7.689 ( 0.000 2.032 -9.226) 9.447 7.716 ( 0.000 1.986 -6.585) 6.878 7.882 ( 0.000 7.433 -6.990) 10.204 8.154 ( 0.000 -4.977 -19.900) 20.513 8.281 ( 0.000 4.261 1.332) 4.464 8.364 ( 0.000 1.059 -8.538) 8.603 8.547 ( 0.000 16.017 -7.820) 17.824 8.868 ( 0.000 4.114 3.528) 5.420 8.950 ( 0.000 -3.350 1.180) 3.551 9.009 ( 0.000 1.785 -0.922) 2.009 9.011 ( 0.000 2.408 2.875) 3.750 9.300 ( 0.000 -2.352 -3.828) 4.493 9.374 ( 0.000 9.684 0.904) 9.726 9.525 ( 0.000 -4.702 -0.784) 4.767 9.693 ( 0.000 1.212 -2.566) 2.838 9.846 ( 0.000 -6.130 -9.291) 11.131 9.902 ( 0.000 -2.033 1.332) 2.430 10.321 ( 0.000 -18.791 -1.294) 18.836 10.374 ( 0.000 -11.449 -5.550) 12.723 10.382 ( 0.000 -5.842 -9.564) 11.207 10.908 ( 0.000 0.919 -8.551) 8.600 10.964 ( 0.000 0.039 -5.266) 5.266 11.155 ( 0.000 11.878 3.308) 12.330 11.474 ( 0.000 -0.559 -4.233) 4.270 11.512 ( 0.000 -7.312 -1.623) 7.490 11.659 ( 0.000 -8.589 -0.364) 8.597 11.906 ( 0.000 -1.745 -13.089) 13.205 11.979 ( 0.000 -4.665 -4.528) 6.501 12.157 ( 0.000 9.444 3.673) 10.133 12.389 ( 0.000 4.091 4.430) 6.030 12.564 ( 0.000 13.950 9.216) 16.719 12.616 ( 0.000 -1.150 8.087) 8.169 12.662 ( 0.000 -10.570 7.587) 13.011 13.148 ( 0.000 -9.120 9.983) 13.522 13.321 ( 0.000 8.555 3.655) 9.303 13.628 ( 0.000 -4.526 -0.633) 4.570 13.877 ( 0.000 3.453 0.919) 3.574 14.178 ( 0.000 -9.299 2.943) 9.754 14.350 ( 0.000 14.186 -7.963) 16.268 14.818 ( 0.000 -8.127 -4.879) 9.479 15.319 ( 0.000 6.291 0.599) 6.319 15.357 ( 0.000 -4.181 0.120) 4.183 15.511 ( 0.000 -8.395 5.090) 9.818 15.691 ( 0.000 -5.757 -2.368) 6.225 22.489 ( 0.000 8.180 4.369) 9.273 22.744 ( 0.000 -2.944 4.055) 5.011 22.887 ( 0.000 2.569 -0.706) 2.665 23.010 ( 0.000 -2.725 1.299) 3.019 23.456 ( 0.000 11.678 -15.876) 19.709 23.604 ( 0.000 1.662 -8.009) 8.180 23.703 ( 0.000 4.756 -1.180) 4.901 23.766 ( 0.000 0.093 2.248) 2.250 23.842 ( 0.000 -0.082 6.009) 6.009 23.849 ( 0.000 -0.288 3.757) 3.769 24.112 ( 0.000 8.136 2.350) 8.468 24.342 ( 0.000 0.944 1.580) 1.840 24.727 ( 0.000 0.282 4.396) 4.405 24.826 ( 0.000 -10.928 -0.915) 10.966 24.835 ( 0.000 2.856 5.932) 6.584 25.271 ( 0.000 -13.380 1.991) 13.527 ======================= Grid point 106 (41/90) ======================= q-point: ( 0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 7.253 22.813 13.380) 27.424 3.032 ( 7.690 16.022 25.533) 31.109 3.330 ( -6.548 4.836 12.070) 14.558 3.472 ( 2.092 -2.812 8.901) 9.566 3.715 ( 2.789 -2.841 6.090) 7.276 3.767 ( 1.397 -3.961 10.480) 11.291 4.011 ( -10.031 1.736 14.586) 17.787 4.061 ( 2.502 19.314 10.460) 22.106 4.320 ( 1.122 -2.370 11.751) 12.040 4.428 ( -5.226 7.988 5.129) 10.837 4.469 ( 1.646 13.838 7.371) 15.764 4.551 ( 2.465 3.323 2.778) 4.984 4.708 ( 4.653 10.966 6.599) 13.617 4.893 ( -3.386 5.149 -0.251) 6.167 5.000 ( -7.234 -1.279 -7.295) 10.353 5.133 ( -8.010 -5.566 3.102) 10.236 5.706 ( 4.235 2.545 -1.776) 5.250 5.858 ( -0.298 -0.613 -3.437) 3.504 6.049 ( 0.307 3.366 1.676) 3.773 6.292 ( -3.879 -5.040 1.354) 6.502 6.366 ( 3.734 -2.127 -8.942) 9.921 6.579 ( 10.308 -8.425 -11.224) 17.413 7.205 ( -18.633 2.516 -10.056) 21.323 7.274 ( -12.782 -0.077 -10.406) 16.482 7.794 ( 7.613 4.968 -11.110) 14.356 7.934 ( 12.209 3.503 -6.961) 14.484 7.973 ( 8.474 8.857 -5.444) 13.413 8.205 ( 4.617 -3.134 -17.656) 18.516 8.359 ( 6.293 -0.315 1.285) 6.431 8.404 ( 4.202 1.066 -12.604) 13.329 8.543 ( -0.520 12.342 -6.206) 13.824 8.798 ( -4.693 3.115 4.160) 7.002 8.913 ( -5.118 -3.551 -3.316) 7.057 8.978 ( -0.717 6.221 -1.273) 6.390 9.025 ( -0.894 0.777 -0.164) 1.195 9.274 ( -3.517 -0.283 1.942) 4.027 9.338 ( 0.164 5.989 -2.803) 6.614 9.531 ( 0.963 -6.645 -1.176) 6.816 9.754 ( 3.277 4.000 3.010) 5.984 9.895 ( 1.272 -4.828 -8.120) 9.532 9.915 ( 2.689 -4.800 -2.924) 6.230 10.213 ( -4.763 -15.264 -1.619) 16.071 10.319 ( -3.998 -8.986 -3.728) 10.518 10.451 ( 1.205 -11.547 -5.415) 12.810 10.893 ( -0.087 3.316 -5.269) 6.226 10.982 ( 1.371 1.983 -9.134) 9.447 11.216 ( 5.863 7.119 2.902) 9.668 11.372 ( -6.462 -1.603 -3.514) 7.528 11.523 ( -2.194 -4.939 -2.409) 5.917 11.651 ( -1.189 -5.868 -1.510) 6.175 11.816 ( -5.937 -0.974 -11.483) 12.964 11.906 ( -6.872 -6.059 -6.229) 11.078 12.229 ( 5.983 6.669 3.297) 9.547 12.436 ( 4.065 3.341 5.459) 7.582 12.554 ( -2.449 3.433 4.955) 6.506 12.606 ( -0.686 -1.092 7.077) 7.194 12.762 ( 10.083 0.939 10.367) 14.492 13.223 ( 7.078 -9.356 8.608) 14.551 13.298 ( -2.743 8.642 3.274) 9.640 13.632 ( -1.006 -5.971 -0.276) 6.061 13.874 ( 1.137 4.968 1.413) 5.289 14.208 ( 3.552 -9.540 2.777) 10.552 14.290 ( -5.954 12.122 -6.019) 14.786 14.740 ( -7.925 -9.265 -3.956) 12.817 15.295 ( -1.624 1.880 2.395) 3.451 15.334 ( -1.272 6.545 -0.921) 6.731 15.570 ( 4.267 -10.311 2.735) 11.489 15.694 ( 0.120 -6.988 -2.444) 7.404 22.517 ( 2.866 8.185 3.921) 9.517 22.769 ( 2.444 -2.779 3.713) 5.242 22.828 ( -5.222 4.089 -0.351) 6.641 22.996 ( -2.329 -3.427 1.419) 4.379 23.439 ( 0.700 12.649 -12.049) 17.483 23.654 ( 0.752 2.659 -3.861) 4.748 23.694 ( 0.585 2.903 -3.571) 4.639 23.761 ( -0.519 0.007 2.110) 2.173 23.858 ( 1.782 0.417 5.635) 5.925 23.898 ( 5.308 -0.904 0.304) 5.393 24.064 ( -4.239 6.569 2.778) 8.297 24.316 ( -3.474 -0.937 0.344) 3.615 24.689 ( -1.418 -0.406 3.331) 3.643 24.786 ( -1.826 6.065 3.290) 7.137 24.951 ( 7.238 -10.726 2.509) 13.181 25.250 ( -2.138 -13.335 1.936) 13.643 ======================= Grid point 107 (42/90) ======================= q-point: ( 0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 12.959 20.534 12.613) 27.362 3.128 ( -11.520 14.759 11.488) 21.966 3.237 ( 10.768 15.578 25.293) 31.597 3.446 ( -7.629 8.956 19.097) 22.430 3.755 ( 2.009 -5.058 4.295) 6.933 3.795 ( -0.208 -10.086 3.947) 10.833 3.930 ( 4.533 -5.922 12.419) 14.486 4.074 ( -4.653 6.125 10.321) 12.872 4.264 ( -2.026 0.285 9.163) 9.388 4.315 ( -4.700 12.746 5.697) 14.731 4.574 ( 6.753 9.021 0.430) 11.276 4.611 ( 3.079 3.459 0.665) 4.679 4.786 ( -0.569 8.309 2.255) 8.628 4.796 ( -5.315 4.648 2.850) 7.615 4.887 ( -0.127 -1.151 0.305) 1.198 4.982 ( -6.826 -2.612 3.088) 7.934 5.792 ( 3.784 5.040 -2.319) 6.715 5.841 ( -1.548 3.375 -2.772) 4.633 6.077 ( 3.753 -4.366 4.522) 7.321 6.187 ( -6.543 -6.838 3.839) 10.213 6.540 ( 13.341 4.201 -8.812) 16.531 6.789 ( 11.546 -6.056 -11.421) 17.333 6.847 ( -17.934 4.903 -8.883) 20.605 7.023 ( -12.820 -2.554 -10.947) 17.050 7.940 ( 7.048 7.997 -11.138) 15.417 8.031 ( -1.164 10.568 -8.511) 13.619 8.184 ( 10.964 7.947 -4.660) 14.321 8.316 ( 3.555 3.015 -14.604) 15.330 8.394 ( -1.077 1.005 -4.275) 4.521 8.469 ( -0.877 -2.315 -11.504) 11.767 8.577 ( 5.352 -0.603 -1.709) 5.651 8.702 ( -7.176 -0.253 -2.455) 7.588 8.844 ( 2.188 2.600 -4.416) 5.572 8.935 ( -5.066 2.718 -4.195) 7.117 9.049 ( 5.326 4.959 3.006) 7.874 9.173 ( -6.346 4.157 3.401) 8.314 9.421 ( 7.109 -2.135 -2.983) 8.000 9.538 ( -2.291 -5.482 -1.922) 6.245 9.752 ( -1.094 -0.926 -0.245) 1.454 9.810 ( -6.613 -6.749 -4.522) 10.475 10.035 ( 8.118 -4.680 -1.431) 9.479 10.175 ( -5.133 -6.560 0.229) 8.333 10.286 ( 4.586 -11.623 -1.070) 12.541 10.404 ( -5.502 -12.091 -2.102) 13.449 10.931 ( 3.667 7.283 -4.635) 9.379 10.993 ( -1.392 7.285 -6.720) 10.008 11.300 ( 0.529 -6.267 -6.120) 8.776 11.336 ( 2.787 -6.585 0.073) 7.151 11.454 ( -0.402 3.191 -5.711) 6.554 11.575 ( -7.385 0.548 -4.406) 8.617 11.751 ( -0.410 -4.850 -7.082) 8.593 11.787 ( -4.142 -5.388 -6.489) 9.397 12.354 ( 6.649 3.825 3.748) 8.537 12.471 ( -4.967 2.476 5.280) 7.661 12.521 ( 3.490 0.769 4.493) 5.741 12.580 ( -2.201 -0.829 5.743) 6.206 12.992 ( 12.354 5.716 7.997) 15.787 13.196 ( -8.170 7.644 4.839) 12.190 13.385 ( 8.973 -8.807 5.626) 13.774 13.547 ( -7.287 -7.530 2.558) 10.787 13.966 ( 7.887 6.689 0.009) 10.342 14.138 ( -9.140 9.067 -2.872) 13.191 14.330 ( 9.103 -10.204 1.714) 13.782 14.540 ( -11.783 -10.117 -1.194) 15.576 15.287 ( 0.678 5.842 1.037) 5.972 15.309 ( -1.372 8.277 -0.395) 8.400 15.643 ( 3.108 -10.217 0.029) 10.680 15.685 ( -1.289 -8.997 -1.821) 9.270 22.596 ( 5.250 7.865 2.644) 9.819 22.711 ( -6.369 6.523 0.914) 9.162 22.836 ( 4.189 -2.686 2.886) 5.752 22.923 ( -4.625 -2.854 1.890) 5.754 23.500 ( 4.892 10.901 -7.502) 14.109 23.598 ( -4.700 7.825 -4.015) 9.972 23.726 ( 1.400 -0.326 -0.241) 1.457 23.747 ( -0.876 -0.186 1.632) 1.862 23.906 ( 3.100 1.649 4.923) 6.047 23.977 ( -4.222 3.886 3.757) 6.859 24.041 ( 8.546 -3.027 -3.564) 9.742 24.203 ( -7.730 -3.528 -2.346) 8.814 24.698 ( 1.932 4.239 3.304) 5.711 24.744 ( -2.474 6.615 3.428) 7.851 25.084 ( 6.356 -12.421 2.105) 14.111 25.188 ( -4.357 -13.098 1.896) 13.933 ======================= Grid point 110 (43/90) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( 0.000 -14.614 9.254) 17.297 3.036 ( 0.000 14.614 9.254) 17.297 3.357 ( 0.000 -8.124 16.334) 18.243 3.357 ( 0.000 8.124 16.334) 18.243 3.641 ( 0.000 -1.269 12.480) 12.544 3.641 ( 0.000 1.269 12.480) 12.544 4.227 ( 0.000 -2.555 19.328) 19.496 4.227 ( 0.000 2.555 19.328) 19.496 4.422 ( 0.000 -11.435 5.871) 12.854 4.422 ( 0.000 11.435 5.871) 12.854 4.686 ( 0.000 -2.403 0.781) 2.527 4.686 ( 0.000 2.403 0.781) 2.527 4.894 ( 0.000 -7.758 6.281) 9.982 4.894 ( 0.000 7.758 6.281) 9.982 5.062 ( 0.000 -2.875 -4.612) 5.435 5.062 ( 0.000 2.875 -4.612) 5.435 5.749 ( 0.000 -6.906 -1.525) 7.072 5.749 ( 0.000 6.906 -1.525) 7.072 6.204 ( 0.000 -5.060 -1.103) 5.179 6.204 ( 0.000 5.060 -1.103) 5.179 6.327 ( 0.000 -3.157 -8.990) 9.529 6.327 ( 0.000 3.157 -8.990) 9.529 7.454 ( 0.000 -0.675 -11.919) 11.938 7.454 ( 0.000 0.675 -11.919) 11.938 7.735 ( 0.000 -0.951 -5.044) 5.133 7.735 ( 0.000 0.951 -5.044) 5.133 8.015 ( 0.000 -6.491 -18.916) 19.999 8.015 ( 0.000 6.491 -18.916) 19.999 8.363 ( 0.000 -2.292 -1.320) 2.645 8.363 ( 0.000 2.292 -1.320) 2.645 8.887 ( 0.000 -1.252 2.060) 2.411 8.887 ( 0.000 1.252 2.060) 2.411 8.969 ( 0.000 -17.957 -5.334) 18.733 8.969 ( 0.000 17.957 -5.334) 18.733 9.074 ( 0.000 -3.505 -0.420) 3.530 9.074 ( 0.000 3.505 -0.420) 3.530 9.516 ( 0.000 -2.009 -1.871) 2.745 9.516 ( 0.000 2.009 -1.871) 2.745 9.757 ( 0.000 -3.299 -7.951) 8.608 9.757 ( 0.000 3.299 -7.951) 8.608 9.970 ( 0.000 -10.953 1.751) 11.092 9.970 ( 0.000 10.953 1.751) 11.092 10.264 ( 0.000 -1.600 -6.087) 6.294 10.264 ( 0.000 1.600 -6.087) 6.294 10.943 ( 0.000 -1.655 -4.636) 4.923 10.943 ( 0.000 1.655 -4.636) 4.923 11.367 ( 0.000 -7.498 1.938) 7.745 11.367 ( 0.000 7.498 1.938) 7.745 11.517 ( 0.000 -4.911 -5.979) 7.737 11.517 ( 0.000 4.911 -5.979) 7.737 11.899 ( 0.000 -1.750 -9.656) 9.813 11.899 ( 0.000 1.750 -9.656) 9.813 12.397 ( 0.000 -11.522 8.980) 14.608 12.397 ( 0.000 11.522 8.980) 14.608 12.509 ( 0.000 -4.475 4.752) 6.527 12.509 ( 0.000 4.475 4.752) 6.527 12.902 ( 0.000 -14.098 11.847) 18.415 12.902 ( 0.000 14.098 11.847) 18.415 13.498 ( 0.000 -7.707 1.316) 7.819 13.498 ( 0.000 7.707 1.316) 7.819 13.995 ( 0.000 -7.545 1.842) 7.767 13.995 ( 0.000 7.545 1.842) 7.767 14.617 ( 0.000 -11.109 -7.398) 13.347 14.617 ( 0.000 11.109 -7.398) 13.347 15.326 ( 0.000 -1.356 2.726) 3.045 15.326 ( 0.000 1.356 2.726) 3.045 15.551 ( 0.000 -7.148 -2.137) 7.461 15.551 ( 0.000 7.148 -2.137) 7.461 22.645 ( 0.000 -6.321 4.776) 7.923 22.645 ( 0.000 6.321 4.776) 7.923 22.948 ( 0.000 -3.058 0.482) 3.096 22.948 ( 0.000 3.058 0.482) 3.096 23.599 ( 0.000 -2.740 -11.944) 12.254 23.599 ( 0.000 2.740 -11.944) 12.254 23.759 ( 0.000 -1.005 1.807) 2.067 23.759 ( 0.000 1.005 1.807) 2.067 23.843 ( 0.000 -0.199 4.850) 4.854 23.843 ( 0.000 0.199 4.850) 4.854 24.292 ( 0.000 -6.863 0.174) 6.865 24.292 ( 0.000 6.863 0.174) 6.865 24.692 ( 0.000 -0.678 3.674) 3.736 24.692 ( 0.000 0.678 3.674) 3.736 25.011 ( 0.000 -11.147 2.615) 11.450 25.011 ( 0.000 11.147 2.615) 11.450 ======================= Grid point 112 (44/90) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( 7.172 -15.485 8.719) 19.163 3.107 ( 7.172 15.485 8.719) 19.163 3.389 ( 2.813 -5.800 15.400) 16.695 3.389 ( 2.813 5.800 15.400) 16.695 3.641 ( -0.033 -0.861 13.775) 13.802 3.641 ( -0.033 0.861 13.775) 13.802 4.140 ( -9.098 -8.119 19.462) 22.967 4.140 ( -9.098 8.119 19.462) 22.967 4.443 ( 2.286 -11.078 5.161) 12.433 4.443 ( 2.286 11.078 5.161) 12.433 4.671 ( -1.252 -4.856 -2.783) 5.736 4.671 ( -1.252 4.856 -2.783) 5.736 4.874 ( -2.833 -4.435 4.346) 6.825 4.874 ( -2.833 4.435 4.346) 6.825 4.990 ( -5.122 -3.436 -0.824) 6.222 4.990 ( -5.122 3.436 -0.824) 6.222 5.786 ( 3.867 -5.167 -0.662) 6.487 5.786 ( 3.867 5.167 -0.662) 6.487 6.155 ( -4.455 -5.818 0.264) 7.332 6.155 ( -4.455 5.818 0.264) 7.332 6.430 ( 9.524 -6.110 -9.524) 14.790 6.430 ( 9.524 6.110 -9.524) 14.790 7.251 ( -15.047 -1.866 -10.863) 18.652 7.251 ( -15.047 1.866 -10.863) 18.652 7.908 ( 11.764 -4.902 -5.996) 14.085 7.908 ( 11.764 4.902 -5.996) 14.085 8.120 ( 9.884 -4.895 -16.159) 19.564 8.120 ( 9.884 4.895 -16.159) 19.564 8.380 ( 1.414 -2.151 -3.464) 4.315 8.380 ( 1.414 2.151 -3.464) 4.315 8.802 ( -7.915 -4.883 -2.263) 9.571 8.802 ( -7.915 4.883 -2.263) 9.571 8.965 ( 0.242 -10.640 -3.218) 11.119 8.965 ( 0.242 10.640 -3.218) 11.119 9.088 ( 0.353 -7.121 -0.328) 7.137 9.088 ( 0.353 7.121 -0.328) 7.137 9.479 ( -1.177 -3.374 -3.337) 4.890 9.479 ( -1.177 3.374 -3.337) 4.890 9.853 ( 1.507 -1.103 -6.990) 7.236 9.853 ( 1.507 1.103 -6.990) 7.236 9.904 ( -0.451 -11.042 3.361) 11.551 9.904 ( -0.451 11.042 3.361) 11.551 10.255 ( -1.452 -4.336 -3.380) 5.686 10.255 ( -1.452 4.336 -3.380) 5.686 10.963 ( 2.616 -2.642 -5.827) 6.912 10.963 ( 2.616 2.642 -5.827) 6.912 11.336 ( -3.701 -3.204 1.263) 5.056 11.336 ( -3.701 3.204 1.263) 5.056 11.528 ( 1.500 -5.898 -5.494) 8.199 11.528 ( 1.500 5.898 -5.494) 8.199 11.815 ( -7.274 -2.152 -9.427) 12.100 11.815 ( -7.274 2.152 -9.427) 12.100 12.424 ( 2.424 -9.863 8.256) 13.089 12.424 ( 2.424 9.863 8.256) 13.089 12.525 ( 0.812 -2.688 5.101) 5.823 12.525 ( 0.812 2.688 5.101) 5.823 12.983 ( 8.003 -13.103 10.463) 18.580 12.983 ( 8.003 13.103 10.463) 18.580 13.480 ( -2.608 -8.257 1.391) 8.770 13.480 ( -2.608 8.257 1.391) 8.770 14.015 ( 2.850 -8.260 2.008) 8.966 14.015 ( 2.850 8.260 2.008) 8.966 14.530 ( -8.333 -10.647 -5.567) 14.622 14.530 ( -8.333 10.647 -5.567) 14.622 15.364 ( 3.458 -5.146 1.368) 6.349 15.364 ( 3.458 5.146 1.368) 6.349 15.538 ( -1.296 -7.392 -2.053) 7.780 15.538 ( -1.296 7.392 -2.053) 7.780 22.671 ( 2.677 -6.236 4.357) 8.064 22.671 ( 2.677 6.236 4.357) 8.064 22.915 ( -3.276 -4.103 0.777) 5.308 22.915 ( -3.276 4.103 0.777) 5.308 23.623 ( 2.250 -4.992 -9.377) 10.858 23.623 ( 2.250 4.992 -9.377) 10.858 23.748 ( -1.129 -1.490 1.342) 2.301 23.748 ( -1.129 1.490 1.342) 2.301 23.875 ( 3.209 -1.095 3.350) 4.766 23.875 ( 3.209 1.095 3.350) 4.766 24.224 ( -6.091 -7.325 -0.170) 9.528 24.224 ( -6.091 7.325 -0.170) 9.528 24.746 ( 4.781 -6.457 3.477) 8.754 24.746 ( 4.781 6.457 3.477) 8.754 24.991 ( -2.054 -11.048 2.667) 11.549 24.991 ( -2.054 11.048 2.667) 11.549 ======================= Grid point 114 (45/90) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.283 ( 9.706 -15.473 9.125) 20.418 3.283 ( 9.706 15.473 9.125) 20.418 3.413 ( -2.440 -6.656 11.562) 13.563 3.413 ( -2.440 6.656 11.562) 13.563 3.681 ( 6.520 -6.699 16.728) 19.163 3.681 ( 6.520 6.699 16.728) 19.163 3.900 ( -14.216 -10.980 16.964) 24.707 3.900 ( -14.216 10.980 16.964) 24.707 4.514 ( 5.027 -11.400 2.930) 12.799 4.514 ( 5.027 11.400 2.930) 12.799 4.618 ( -4.878 -10.767 -2.052) 11.997 4.618 ( -4.878 10.767 -2.052) 11.997 4.837 ( 1.298 -3.757 2.622) 4.762 4.837 ( 1.298 3.757 2.622) 4.762 4.904 ( -4.380 -3.189 1.543) 5.633 4.904 ( -4.380 3.189 1.543) 5.633 5.895 ( 7.157 -2.131 0.920) 7.524 5.895 ( 7.157 2.131 0.920) 7.524 6.040 ( -7.299 -4.239 1.314) 8.542 6.040 ( -7.299 4.239 1.314) 8.542 6.661 ( 13.987 -6.385 -9.658) 18.157 6.661 ( 13.987 6.385 -9.658) 18.157 6.950 ( -15.717 -4.487 -10.040) 19.182 6.950 ( -15.717 4.487 -10.040) 19.182 8.122 ( 10.173 -8.233 -6.942) 14.814 8.122 ( 10.173 8.233 -6.942) 14.814 8.254 ( -1.037 -8.416 -7.172) 11.106 8.254 ( -1.037 8.416 -7.172) 11.106 8.449 ( 8.071 -6.982 -9.963) 14.599 8.449 ( 8.071 6.982 -9.963) 14.599 8.628 ( -9.448 -6.462 -7.063) 13.450 8.628 ( -9.448 6.462 -7.063) 13.450 8.994 ( 2.939 -8.594 -2.344) 9.380 8.994 ( 2.939 8.594 -2.344) 9.380 9.062 ( -3.130 -8.957 -1.796) 9.656 9.062 ( -3.130 8.957 -1.796) 9.656 9.522 ( 5.903 -4.934 -2.014) 7.952 9.522 ( 5.903 4.934 -2.014) 7.952 9.689 ( -10.421 -1.945 -1.120) 10.660 9.689 ( -10.421 1.945 -1.120) 10.660 10.055 ( 8.474 -6.049 -0.246) 10.414 10.055 ( 8.474 6.049 -0.246) 10.414 10.191 ( -5.373 -5.708 -0.413) 7.850 10.191 ( -5.373 5.708 -0.413) 7.850 11.060 ( 7.325 -2.981 -5.883) 9.857 11.060 ( 7.325 2.981 -5.883) 9.857 11.218 ( -8.134 -1.841 -2.227) 8.632 11.218 ( -8.134 1.841 -2.227) 8.632 11.580 ( 3.850 -5.901 -5.497) 8.937 11.580 ( 3.850 5.901 -5.497) 8.937 11.677 ( -6.315 -3.429 -7.551) 10.423 11.677 ( -6.315 3.429 -7.551) 10.423 12.477 ( 2.812 -6.411 6.925) 9.847 12.477 ( 2.812 6.411 6.925) 9.847 12.520 ( -1.382 -1.982 5.871) 6.348 12.520 ( -1.382 1.982 5.871) 6.348 13.176 ( 11.061 -10.432 7.283) 16.859 13.176 ( 11.061 10.432 7.283) 16.859 13.372 ( -8.543 -8.748 3.558) 12.735 13.372 ( -8.543 8.748 3.558) 12.735 14.129 ( 8.942 -8.787 0.591) 12.551 14.129 ( 8.942 8.787 0.591) 12.551 14.332 ( -11.349 -9.555 -2.335) 15.018 14.332 ( -11.349 9.555 -2.335) 15.018 15.437 ( 3.770 -7.242 -0.542) 8.182 15.437 ( 3.770 7.242 -0.542) 8.182 15.500 ( -2.668 -7.673 -1.633) 8.286 15.500 ( -2.668 7.673 -1.633) 8.286 22.742 ( 4.481 -5.896 3.225) 8.078 22.742 ( 4.481 5.896 3.225) 8.078 22.834 ( -4.801 -5.218 1.807) 7.318 22.834 ( -4.801 5.218 1.807) 7.318 23.673 ( 2.626 -4.821 -4.159) 6.888 23.673 ( 2.626 4.821 -4.159) 6.888 23.718 ( -1.970 -2.878 -0.375) 3.508 23.718 ( -1.970 2.878 -0.375) 3.508 23.963 ( 5.850 -3.735 0.540) 6.962 23.963 ( 5.850 3.735 0.540) 6.962 24.091 ( -7.219 -6.348 -0.608) 9.632 24.091 ( -7.219 6.348 -0.608) 9.632 24.846 ( 5.142 -9.295 3.138) 11.076 24.846 ( 5.142 9.295 3.138) 11.076 24.934 ( -3.884 -10.569 2.840) 11.613 24.934 ( -3.884 10.569 2.840) 11.613 ======================= Grid point 135 (46/90) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 0.000 0.000 26.716) 26.716 2.335 ( 0.000 0.000 33.751) 33.751 2.777 ( 0.000 0.000 6.411) 6.411 3.289 ( 0.000 0.000 1.687) 1.687 3.629 ( 0.000 0.000 -0.873) 0.873 3.771 ( 0.000 0.000 -5.998) 5.998 3.804 ( 0.000 0.000 12.346) 12.346 3.912 ( 0.000 0.000 -9.073) 9.073 3.947 ( 0.000 0.000 18.868) 18.868 4.110 ( 0.000 0.000 1.134) 1.134 4.255 ( 0.000 0.000 3.669) 3.669 4.284 ( 0.000 0.000 21.304) 21.304 4.504 ( 0.000 0.000 -2.520) 2.520 4.945 ( 0.000 0.000 7.440) 7.440 5.088 ( 0.000 0.000 17.761) 17.761 5.201 ( 0.000 0.000 3.639) 3.639 5.854 ( 0.000 0.000 1.134) 1.134 5.855 ( 0.000 0.000 -4.169) 4.169 5.906 ( 0.000 0.000 -2.435) 2.435 6.139 ( 0.000 0.000 5.340) 5.340 6.732 ( 0.000 0.000 -16.068) 16.068 6.780 ( 0.000 0.000 -7.811) 7.811 6.849 ( 0.000 0.000 -10.041) 10.041 7.058 ( 0.000 0.000 -8.739) 8.739 7.381 ( 0.000 0.000 -8.271) 8.271 7.405 ( 0.000 0.000 -12.462) 12.462 7.818 ( 0.000 0.000 1.608) 1.608 7.988 ( 0.000 0.000 -2.334) 2.334 8.099 ( 0.000 0.000 -4.476) 4.476 8.241 ( 0.000 0.000 -21.748) 21.748 8.429 ( 0.000 0.000 0.860) 0.860 8.452 ( 0.000 0.000 -0.354) 0.354 8.819 ( 0.000 0.000 -0.289) 0.289 8.843 ( 0.000 0.000 -4.363) 4.363 9.029 ( 0.000 0.000 14.911) 14.911 9.146 ( 0.000 0.000 5.314) 5.314 9.267 ( 0.000 0.000 -7.336) 7.336 9.816 ( 0.000 0.000 -13.893) 13.893 9.863 ( 0.000 0.000 0.232) 0.232 9.974 ( 0.000 0.000 6.511) 6.511 10.122 ( 0.000 0.000 1.849) 1.849 10.199 ( 0.000 0.000 9.777) 9.777 10.467 ( 0.000 0.000 6.585) 6.585 10.710 ( 0.000 0.000 -16.084) 16.084 10.782 ( 0.000 0.000 -6.405) 6.405 11.150 ( 0.000 0.000 3.427) 3.427 11.183 ( 0.000 0.000 -6.259) 6.259 11.436 ( 0.000 0.000 -12.263) 12.263 11.484 ( 0.000 0.000 -12.263) 12.263 11.808 ( 0.000 0.000 -10.569) 10.569 11.834 ( 0.000 0.000 10.790) 10.790 11.869 ( 0.000 0.000 2.141) 2.141 12.116 ( 0.000 0.000 -8.282) 8.282 12.355 ( 0.000 0.000 -3.737) 3.737 12.489 ( 0.000 0.000 -1.534) 1.534 12.690 ( 0.000 0.000 8.020) 8.020 12.712 ( 0.000 0.000 -2.368) 2.368 13.191 ( 0.000 0.000 2.163) 2.163 13.523 ( 0.000 0.000 6.865) 6.865 13.575 ( 0.000 0.000 4.522) 4.522 13.772 ( 0.000 0.000 1.611) 1.611 13.824 ( 0.000 0.000 -0.992) 0.992 14.562 ( 0.000 0.000 2.244) 2.244 14.994 ( 0.000 0.000 -7.203) 7.203 15.064 ( 0.000 0.000 1.565) 1.565 15.512 ( 0.000 0.000 -9.667) 9.667 15.977 ( 0.000 0.000 10.841) 10.841 16.769 ( 0.000 0.000 -4.424) 4.424 22.134 ( 0.000 0.000 3.670) 3.670 22.239 ( 0.000 0.000 4.957) 4.957 22.583 ( 0.000 0.000 -6.028) 6.028 22.731 ( 0.000 0.000 -5.432) 5.432 23.151 ( 0.000 0.000 2.354) 2.354 23.350 ( 0.000 0.000 -1.860) 1.860 23.510 ( 0.000 0.000 4.178) 4.178 23.770 ( 0.000 0.000 0.576) 0.576 23.910 ( 0.000 0.000 2.885) 2.885 23.958 ( 0.000 0.000 3.071) 3.071 24.043 ( 0.000 0.000 2.592) 2.592 24.315 ( 0.000 0.000 0.512) 0.512 24.662 ( 0.000 0.000 6.898) 6.898 25.119 ( 0.000 0.000 -9.430) 9.430 25.248 ( 0.000 0.000 11.138) 11.138 25.955 ( 0.000 0.000 -6.694) 6.694 ======================= Grid point 136 (47/90) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 9.263 0.000 24.345) 26.048 2.468 ( 13.193 0.000 30.495) 33.227 2.712 ( -6.498 0.000 8.498) 10.697 3.351 ( 5.730 0.000 0.299) 5.737 3.592 ( -18.015 0.000 11.725) 21.495 3.612 ( -1.668 0.000 -1.317) 2.125 3.759 ( -0.975 0.000 -5.514) 5.600 3.875 ( -3.470 0.000 -8.203) 8.907 3.978 ( 4.206 0.000 12.135) 12.843 4.171 ( 3.946 0.000 8.463) 9.338 4.285 ( 2.826 0.000 2.860) 4.020 4.413 ( 9.839 0.000 18.769) 21.192 4.483 ( -2.134 0.000 -1.861) 2.831 4.938 ( -0.165 0.000 9.076) 9.077 5.079 ( -0.268 0.000 17.614) 17.616 5.167 ( -4.853 0.000 5.762) 7.534 5.838 ( 1.758 0.000 -4.156) 4.512 5.871 ( 1.585 0.000 0.979) 1.863 5.913 ( 0.532 0.000 -1.912) 1.984 6.222 ( 4.459 0.000 1.752) 4.791 6.693 ( -3.106 0.000 -10.517) 10.966 6.805 ( -6.555 0.000 -9.175) 11.275 6.811 ( 3.264 0.000 -8.690) 9.283 7.058 ( -0.192 0.000 -9.750) 9.752 7.337 ( -4.289 0.000 -8.260) 9.308 7.362 ( -3.821 0.000 -11.486) 12.104 7.508 ( -11.764 0.000 -2.802) 12.093 7.881 ( -8.780 0.000 -11.853) 14.750 8.305 ( 6.144 0.000 -8.376) 10.388 8.395 ( -1.089 0.000 1.374) 1.753 8.439 ( 8.330 0.000 -10.703) 13.562 8.471 ( -0.083 0.000 0.926) 0.930 8.759 ( -2.302 0.000 4.665) 5.203 8.879 ( 10.694 0.000 -6.688) 12.613 9.062 ( 3.082 0.000 13.846) 14.185 9.165 ( 1.363 0.000 6.452) 6.594 9.378 ( 8.477 0.000 -6.792) 10.862 9.858 ( 0.162 0.000 -0.611) 0.632 9.886 ( 3.697 0.000 -8.400) 9.177 9.982 ( -0.574 0.000 4.932) 4.965 10.161 ( 4.737 0.000 1.059) 4.854 10.185 ( 0.676 0.000 2.870) 2.949 10.442 ( -2.705 0.000 3.529) 4.446 10.631 ( -6.432 0.000 -11.871) 13.501 10.844 ( 4.611 0.000 -7.860) 9.112 11.057 ( -6.314 0.000 -1.397) 6.466 11.149 ( -3.541 0.000 -6.478) 7.382 11.436 ( -15.608 0.000 -8.511) 17.778 11.520 ( -0.246 0.000 -7.067) 7.071 11.591 ( 7.953 0.000 -7.336) 10.820 11.865 ( 3.370 0.000 9.192) 9.791 11.933 ( -1.415 0.000 -3.690) 3.952 12.212 ( 3.492 0.000 -4.138) 5.415 12.267 ( -7.268 0.000 -2.435) 7.665 12.548 ( 4.475 0.000 -1.512) 4.724 12.715 ( -0.016 0.000 -2.855) 2.855 12.728 ( 5.378 0.000 5.579) 7.749 13.158 ( -3.577 0.000 1.069) 3.734 13.547 ( 2.485 0.000 6.254) 6.729 13.643 ( 6.504 0.000 4.192) 7.738 13.749 ( -2.268 0.000 2.002) 3.026 13.846 ( 1.734 0.000 -0.210) 1.746 14.599 ( 3.681 0.000 0.714) 3.749 14.937 ( -5.091 0.000 -6.393) 8.172 15.080 ( 1.544 0.000 1.563) 2.197 15.456 ( -5.860 0.000 -6.831) 9.000 16.028 ( 5.361 0.000 8.955) 10.437 16.654 ( -10.828 0.000 -1.781) 10.973 22.142 ( 0.789 0.000 3.718) 3.801 22.225 ( -1.313 0.000 4.673) 4.853 22.601 ( 1.717 0.000 -5.809) 6.057 22.719 ( -1.197 0.000 -5.414) 5.545 23.176 ( 2.889 0.000 2.797) 4.021 23.402 ( 1.843 0.000 0.208) 1.855 23.532 ( 4.342 0.000 1.122) 4.485 23.762 ( -0.814 0.000 0.508) 0.959 23.914 ( 0.682 0.000 2.278) 2.378 23.964 ( 0.488 0.000 2.698) 2.742 24.039 ( -0.144 0.000 2.449) 2.453 24.284 ( -3.371 0.000 -0.281) 3.383 24.666 ( 0.577 0.000 6.585) 6.610 24.953 ( -10.318 0.000 -0.833) 10.352 25.418 ( 10.826 0.000 2.869) 11.200 25.908 ( -4.662 0.000 -5.304) 7.061 ======================= Grid point 137 (48/90) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 13.134 0.000 18.988) 23.087 2.539 ( -11.242 0.000 13.216) 17.350 2.800 ( 20.210 0.000 23.740) 31.177 3.206 ( -21.303 0.000 16.933) 27.213 3.473 ( 6.098 0.000 -1.890) 6.384 3.565 ( -3.411 0.000 -2.267) 4.096 3.751 ( 0.789 0.000 -5.021) 5.083 3.799 ( -3.840 0.000 -6.305) 7.382 4.083 ( 6.146 0.000 3.425) 7.036 4.185 ( -3.275 0.000 0.818) 3.375 4.352 ( 3.916 0.000 1.369) 4.148 4.426 ( -3.605 0.000 -0.318) 3.619 4.637 ( 13.749 0.000 26.038) 29.445 4.886 ( -9.248 0.000 19.770) 21.826 5.061 ( -0.254 0.000 9.777) 9.780 5.085 ( -1.332 0.000 9.869) 9.958 5.903 ( 1.458 0.000 0.404) 1.513 5.919 ( -0.115 0.000 -0.687) 0.697 5.960 ( 10.101 0.000 -4.698) 11.140 6.176 ( -9.822 0.000 -3.855) 10.552 6.645 ( -0.817 0.000 -3.304) 3.404 6.673 ( -3.868 0.000 -1.613) 4.191 6.905 ( 6.239 0.000 -10.767) 12.444 7.021 ( -4.553 0.000 -11.933) 12.772 7.263 ( -1.559 0.000 -7.791) 7.946 7.288 ( -3.290 0.000 -8.978) 9.562 7.488 ( 6.800 0.000 -14.332) 15.864 7.680 ( -11.527 0.000 -17.866) 21.262 8.347 ( 1.396 0.000 -2.197) 2.603 8.403 ( 1.721 0.000 2.264) 2.844 8.418 ( -5.332 0.000 -1.140) 5.453 8.445 ( -2.213 0.000 2.139) 3.078 8.884 ( 12.701 0.000 -6.080) 14.081 9.062 ( -0.902 0.000 -5.229) 5.306 9.128 ( 3.298 0.000 11.814) 12.265 9.172 ( -0.987 0.000 9.259) 9.312 9.585 ( 14.874 0.000 -1.780) 14.981 9.842 ( -8.604 0.000 -0.881) 8.649 9.884 ( 2.506 0.000 -0.975) 2.690 9.942 ( -3.059 0.000 1.362) 3.348 10.271 ( 6.151 0.000 -7.996) 10.088 10.301 ( 9.066 0.000 -1.798) 9.243 10.369 ( -4.396 0.000 -4.797) 6.506 10.480 ( -9.016 0.000 -6.908) 11.358 10.944 ( 5.687 0.000 -6.956) 8.985 10.983 ( 0.043 0.000 -2.398) 2.399 11.056 ( -5.694 0.000 -6.558) 8.685 11.108 ( -13.257 0.000 -2.012) 13.409 11.590 ( 5.632 0.000 -10.501) 11.916 11.690 ( -2.303 0.000 -10.086) 10.346 11.964 ( 6.752 0.000 5.110) 8.467 11.968 ( 8.089 0.000 2.422) 8.443 12.112 ( -8.315 0.000 0.747) 8.348 12.151 ( -8.304 0.000 1.530) 8.444 12.634 ( 4.138 0.000 -2.012) 4.601 12.696 ( -2.161 0.000 -2.820) 3.553 12.889 ( 9.636 0.000 1.063) 9.694 13.054 ( -7.142 0.000 0.199) 7.145 13.612 ( 3.968 0.000 4.742) 6.183 13.689 ( -3.813 0.000 3.123) 4.929 13.781 ( 6.518 0.000 2.863) 7.119 13.858 ( -1.290 0.000 1.330) 1.853 14.694 ( 5.942 0.000 -3.002) 6.657 14.819 ( -6.766 0.000 -5.705) 8.850 15.147 ( 6.051 0.000 2.094) 6.403 15.303 ( -9.212 0.000 -1.111) 9.279 16.180 ( 10.316 0.000 5.473) 11.678 16.411 ( -13.193 0.000 2.275) 13.387 22.163 ( 1.440 0.000 3.879) 4.138 22.195 ( -1.734 0.000 4.201) 4.544 22.642 ( 2.389 0.000 -5.510) 6.005 22.687 ( -2.097 0.000 -5.402) 5.795 23.259 ( 5.341 0.000 3.471) 6.370 23.361 ( -4.661 0.000 3.587) 5.882 23.662 ( 6.207 0.000 -1.436) 6.371 23.736 ( -2.106 0.000 0.137) 2.110 23.945 ( 2.154 0.000 0.912) 2.339 23.969 ( -0.250 0.000 1.713) 1.731 24.062 ( 3.721 0.000 0.884) 3.825 24.181 ( -6.977 0.000 -1.564) 7.150 24.695 ( 2.742 0.000 5.378) 6.036 24.784 ( -6.789 0.000 2.783) 7.337 25.617 ( 9.713 0.000 0.197) 9.715 25.786 ( -7.789 0.000 -2.457) 8.167 ======================= Grid point 140 (49/90) ======================= q-point: ( 0.00 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 0.000 28.261 22.351) 36.031 2.399 ( 0.000 6.669 30.918) 31.630 2.997 ( 0.000 18.973 6.712) 20.126 3.406 ( 0.000 9.669 1.098) 9.731 3.629 ( 0.000 2.321 6.389) 6.798 3.798 ( 0.000 -3.585 -3.120) 4.753 3.893 ( 0.000 1.806 14.948) 15.056 3.928 ( 0.000 9.851 -5.071) 11.079 4.026 ( 0.000 12.164 8.401) 14.783 4.220 ( 0.000 -2.615 12.424) 12.696 4.262 ( 0.000 10.880 -5.149) 12.037 4.408 ( 0.000 10.069 12.874) 16.344 4.636 ( 0.000 10.281 0.921) 10.323 4.918 ( 0.000 -1.378 8.208) 8.322 5.068 ( 0.000 -0.786 16.340) 16.359 5.182 ( 0.000 -1.919 5.047) 5.399 5.738 ( 0.000 -4.053 -3.562) 5.396 5.802 ( 0.000 -5.012 0.604) 5.048 6.059 ( 0.000 7.854 -5.070) 9.348 6.124 ( 0.000 -1.315 5.409) 5.567 6.553 ( 0.000 -10.655 -12.024) 16.065 6.772 ( 0.000 -6.948 -8.369) 10.877 6.943 ( 0.000 8.711 -12.759) 15.449 7.107 ( 0.000 3.423 -9.715) 10.300 7.415 ( 0.000 2.625 -8.524) 8.919 7.423 ( 0.000 1.598 -11.888) 11.995 7.780 ( 0.000 -2.628 1.566) 3.059 7.980 ( 0.000 -2.695 -7.177) 7.666 8.093 ( 0.000 2.654 -2.307) 3.517 8.147 ( 0.000 -4.566 -16.445) 17.067 8.411 ( 0.000 -2.758 2.959) 4.044 8.583 ( 0.000 10.011 -3.908) 10.746 8.746 ( 0.000 -5.283 -7.103) 8.853 8.926 ( 0.000 7.114 2.473) 7.531 9.111 ( 0.000 5.490 11.062) 12.349 9.145 ( 0.000 0.018 5.651) 5.651 9.245 ( 0.000 -1.981 -6.818) 7.100 9.735 ( 0.000 -4.765 -6.513) 8.070 9.873 ( 0.000 -1.794 -6.921) 7.149 9.921 ( 0.000 -5.092 6.910) 8.584 10.110 ( 0.000 -2.766 3.163) 4.202 10.200 ( 0.000 1.901 1.758) 2.589 10.526 ( 0.000 4.520 3.911) 5.977 10.710 ( 0.000 -0.134 -12.197) 12.198 10.741 ( 0.000 -4.594 -7.702) 8.968 11.047 ( 0.000 -11.802 -4.518) 12.637 11.107 ( 0.000 -2.489 2.338) 3.415 11.458 ( 0.000 -1.596 -9.190) 9.327 11.473 ( 0.000 2.912 -11.898) 12.249 11.756 ( 0.000 -4.595 -10.676) 11.623 11.893 ( 0.000 4.285 4.395) 6.138 11.986 ( 0.000 8.443 4.504) 9.569 12.066 ( 0.000 -4.689 -5.694) 7.376 12.293 ( 0.000 -2.341 0.548) 2.404 12.444 ( 0.000 -3.791 0.032) 3.792 12.748 ( 0.000 3.932 8.245) 9.135 12.768 ( 0.000 4.498 -3.616) 5.771 13.175 ( 0.000 0.502 4.291) 4.320 13.541 ( 0.000 -1.091 7.477) 7.557 13.675 ( 0.000 9.854 0.333) 9.860 13.736 ( 0.000 -2.759 0.077) 2.760 13.839 ( 0.000 0.957 0.019) 0.957 14.530 ( 0.000 -3.235 2.175) 3.899 14.956 ( 0.000 -3.656 -7.463) 8.310 15.080 ( 0.000 1.927 1.147) 2.243 15.490 ( 0.000 -2.163 -8.135) 8.418 15.928 ( 0.000 -4.380 9.018) 10.026 16.524 ( 0.000 -20.675 0.738) 20.688 22.250 ( 0.000 6.643 3.899) 7.702 22.397 ( 0.000 16.867 -0.668) 16.880 22.645 ( 0.000 5.356 -4.657) 7.097 22.747 ( 0.000 1.623 -4.719) 4.990 23.141 ( 0.000 -0.979 2.394) 2.587 23.379 ( 0.000 2.492 -2.881) 3.809 23.511 ( 0.000 0.271 3.046) 3.058 23.775 ( 0.000 0.483 0.613) 0.781 23.913 ( 0.000 0.230 2.891) 2.900 23.956 ( 0.000 -0.156 3.165) 3.169 24.051 ( 0.000 0.819 2.793) 2.911 24.319 ( 0.000 0.389 0.227) 0.450 24.678 ( 0.000 1.589 6.612) 6.801 25.072 ( 0.000 -4.366 -8.348) 9.421 25.210 ( 0.000 -3.566 10.957) 11.523 25.848 ( 0.000 -9.454 -4.311) 10.391 ======================= Grid point 141 (50/90) ======================= q-point: ( 0.20 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 5.818 22.038 23.353) 32.632 2.535 ( 11.857 9.314 25.232) 29.394 2.933 ( -5.973 18.720 8.937) 21.587 3.477 ( 4.515 7.927 1.077) 9.186 3.506 ( -10.339 2.538 7.494) 13.019 3.815 ( 1.541 3.159 -2.363) 4.235 3.887 ( -3.315 12.281 1.583) 12.818 3.923 ( -0.760 8.058 -0.526) 8.111 3.979 ( -0.522 2.806 4.546) 5.368 4.189 ( 1.289 2.739 9.720) 10.181 4.389 ( 5.708 3.287 1.460) 6.747 4.448 ( 4.710 7.970 16.355) 18.793 4.614 ( -2.224 10.697 1.179) 10.989 4.917 ( -0.087 -1.243 8.863) 8.950 5.061 ( 0.323 -1.109 17.058) 17.097 5.145 ( -4.719 -1.859 6.758) 8.450 5.714 ( -0.473 -4.868 -3.653) 6.105 5.815 ( 0.510 -5.482 -0.925) 5.583 6.057 ( 1.912 7.470 -2.241) 8.030 6.218 ( 5.745 -0.428 2.429) 6.252 6.546 ( -0.365 -9.622 -8.356) 12.749 6.769 ( -2.570 -4.296 -10.449) 11.586 6.875 ( -5.549 2.150 -10.383) 11.967 7.063 ( -4.684 -0.605 -10.625) 11.627 7.371 ( -2.263 2.898 -9.611) 10.291 7.410 ( -1.676 6.866 -7.141) 10.047 7.570 ( -7.765 4.810 -4.528) 10.195 7.893 ( -6.908 0.674 -13.436) 15.123 8.248 ( 8.919 -2.752 -6.196) 11.204 8.317 ( 4.375 -3.074 -2.545) 5.921 8.453 ( 1.268 -0.304 -5.908) 6.050 8.589 ( 4.674 6.229 -0.629) 7.812 8.788 ( -0.422 -0.674 2.968) 3.072 8.836 ( 2.037 1.677 -4.435) 5.161 9.080 ( -0.969 -0.164 7.833) 7.895 9.174 ( 2.072 0.934 6.401) 6.792 9.379 ( 9.568 0.359 -3.142) 10.077 9.771 ( 2.105 -5.006 -2.535) 5.994 9.884 ( -0.483 -2.981 -0.121) 3.023 9.941 ( 1.319 -3.866 -1.946) 4.525 10.134 ( 2.572 -4.002 1.460) 4.977 10.198 ( 1.997 2.456 -2.744) 4.189 10.498 ( -2.742 4.561 0.778) 5.378 10.608 ( -6.951 -2.489 -7.351) 10.419 10.810 ( 3.487 -3.394 -8.581) 9.864 10.998 ( -4.800 -8.253 -2.280) 9.815 11.109 ( 0.540 -0.293 -5.237) 5.273 11.417 ( -8.709 -2.090 -6.835) 11.267 11.525 ( -7.039 -0.297 -3.334) 7.794 11.545 ( 5.473 -0.749 -10.710) 12.051 11.901 ( -4.653 -0.973 -2.360) 5.307 12.010 ( 2.878 5.385 4.574) 7.629 12.115 ( -0.251 -3.286 -1.287) 3.539 12.330 ( 4.142 2.813 -1.317) 5.177 12.492 ( 4.280 -3.657 -0.158) 5.632 12.666 ( -4.039 0.550 2.337) 4.699 12.853 ( 5.254 5.905 2.041) 8.163 13.158 ( -2.073 1.231 3.642) 4.367 13.590 ( 3.959 -0.857 6.307) 7.496 13.673 ( 1.210 5.470 -0.041) 5.602 13.755 ( 0.753 0.822 1.241) 1.668 13.845 ( 0.830 0.386 0.417) 1.006 14.563 ( 3.407 -3.504 0.758) 4.946 14.906 ( -4.847 -3.254 -7.126) 9.212 15.090 ( 1.304 1.559 1.618) 2.598 15.433 ( -5.788 -2.165 -5.330) 8.161 15.969 ( 4.316 -5.203 7.489) 10.089 16.443 ( -7.753 -17.995 1.746) 19.672 22.254 ( 0.505 7.118 3.826) 8.097 22.365 ( -2.783 14.280 0.806) 14.571 22.661 ( 1.533 5.336 -4.685) 7.264 22.749 ( -0.155 3.167 -5.175) 6.069 23.165 ( 2.900 -1.148 2.822) 4.206 23.430 ( 0.752 2.448 -0.017) 2.561 23.530 ( 4.876 -0.166 -0.704) 4.929 23.767 ( -0.813 0.484 0.489) 1.065 23.919 ( 0.892 0.424 2.279) 2.484 23.964 ( 0.701 0.004 2.818) 2.904 24.043 ( -0.556 0.444 2.639) 2.733 24.287 ( -3.481 0.306 -0.753) 3.574 24.680 ( 0.324 1.373 6.429) 6.582 24.923 ( -9.344 -2.732 -0.351) 9.742 25.365 ( 10.126 -4.893 3.460) 11.767 25.809 ( -3.947 -8.840 -3.330) 10.238 ======================= Grid point 142 (51/90) ======================= q-point: ( 0.40 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( 10.985 18.944 18.855) 28.898 2.716 ( -4.045 13.954 14.210) 20.322 2.879 ( 10.967 10.205 18.809) 24.046 3.198 ( -17.835 1.811 14.384) 22.983 3.625 ( 7.832 12.093 -1.524) 14.488 3.770 ( -7.085 14.722 -1.269) 16.388 3.853 ( 1.844 7.662 -3.412) 8.588 3.888 ( -1.846 10.273 -3.674) 11.065 4.054 ( 6.064 -2.324 1.948) 6.780 4.170 ( -4.599 -0.148 -0.077) 4.602 4.465 ( 4.071 8.476 3.327) 9.974 4.550 ( -4.245 10.420 2.296) 11.483 4.624 ( 12.402 -0.439 23.664) 26.720 4.857 ( -9.172 -2.598 17.277) 19.733 5.056 ( 0.207 -0.200 10.952) 10.955 5.080 ( -0.716 -0.113 11.069) 11.093 5.744 ( 2.961 -7.337 -4.277) 8.994 5.800 ( -2.218 -7.574 -3.253) 8.537 6.139 ( 6.246 8.323 -0.819) 10.438 6.254 ( -3.334 4.481 0.017) 5.585 6.555 ( 1.612 -7.223 -3.204) 8.064 6.626 ( -6.914 -2.421 -3.592) 8.159 6.860 ( 2.530 -5.833 -11.373) 13.030 6.948 ( -6.251 -5.863 -12.064) 14.798 7.373 ( 1.049 8.036 -9.306) 12.340 7.384 ( -0.654 9.862 -7.732) 12.549 7.553 ( 5.336 5.633 -13.179) 15.294 7.724 ( -10.353 3.810 -17.133) 20.377 8.331 ( -0.005 -0.930 -3.308) 3.437 8.334 ( -0.379 -1.613 0.649) 1.780 8.474 ( 4.178 4.952 0.099) 6.480 8.584 ( -6.659 7.464 -0.372) 10.009 8.830 ( 10.998 -4.438 -4.118) 12.554 9.003 ( -2.584 -4.953 -4.944) 7.460 9.092 ( 6.702 -2.856 10.472) 12.757 9.184 ( -1.845 0.790 8.888) 9.112 9.582 ( 12.264 -0.638 -1.614) 12.386 9.785 ( -4.806 -4.315 -0.915) 6.523 9.843 ( 0.298 -4.722 -0.018) 4.731 9.904 ( -4.399 -3.395 -1.471) 5.748 10.216 ( 5.999 -4.956 -7.491) 10.801 10.288 ( 2.627 0.134 -6.492) 7.004 10.435 ( -2.237 2.169 -4.580) 5.539 10.482 ( -4.912 1.684 -3.122) 6.059 10.856 ( 1.395 -6.266 -4.217) 7.681 10.904 ( -4.096 -5.916 -2.778) 7.713 11.120 ( 0.918 4.478 -7.729) 8.980 11.191 ( -8.148 5.260 -5.865) 11.334 11.553 ( 4.707 -3.493 -6.990) 9.123 11.627 ( 0.077 -5.277 -8.114) 9.679 11.833 ( 0.971 -4.087 0.975) 4.313 11.945 ( -7.606 -7.276 0.661) 10.546 12.188 ( 7.403 10.064 4.704) 13.349 12.324 ( -5.254 8.697 1.936) 10.343 12.577 ( 3.710 -3.919 -1.794) 5.687 12.622 ( -1.246 -4.046 -1.376) 4.451 12.970 ( 6.701 5.255 2.863) 8.984 13.089 ( -5.128 3.112 2.962) 6.690 13.649 ( 2.583 1.373 2.683) 3.969 13.693 ( -1.308 0.796 0.793) 1.724 13.794 ( 4.166 1.607 2.750) 5.244 13.852 ( -1.025 0.138 1.659) 1.955 14.656 ( 6.100 -3.675 -2.862) 7.675 14.787 ( -7.043 -3.316 -5.986) 9.820 15.149 ( 5.272 0.616 2.219) 5.753 15.288 ( -8.374 -1.209 -0.153) 8.462 16.090 ( 8.024 -7.949 4.924) 12.322 16.265 ( -9.813 -12.578 3.244) 16.280 22.272 ( 1.433 8.415 3.523) 9.235 22.311 ( -2.527 10.699 2.649) 11.308 22.697 ( 2.052 5.070 -4.839) 7.303 22.733 ( -1.514 4.556 -5.159) 7.047 23.253 ( 5.849 -0.576 3.126) 6.657 23.367 ( -5.448 0.585 3.042) 6.267 23.667 ( 6.251 0.454 -2.398) 6.710 23.742 ( -2.099 0.474 -0.150) 2.157 23.954 ( 2.197 0.764 1.053) 2.553 23.975 ( 0.026 0.601 1.781) 1.880 24.057 ( 3.542 -0.446 0.850) 3.670 24.180 ( -7.295 -0.141 -2.207) 7.623 24.700 ( 2.135 0.647 5.577) 6.006 24.774 ( -5.772 -0.811 3.352) 6.724 25.550 ( 8.949 -6.119 0.944) 10.882 25.703 ( -6.899 -7.493 -1.218) 10.258 ======================= Grid point 145 (52/90) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 0.000 13.997 25.517) 29.104 2.970 ( 0.000 29.854 18.154) 34.940 3.446 ( 0.000 18.179 6.228) 19.216 3.579 ( 0.000 5.889 6.060) 8.450 3.752 ( 0.000 3.494 0.545) 3.536 3.763 ( 0.000 5.261 8.577) 10.062 3.938 ( 0.000 7.553 1.633) 7.728 4.169 ( 0.000 -0.138 19.207) 19.208 4.197 ( 0.000 12.745 -1.735) 12.862 4.379 ( 0.000 18.130 2.186) 18.261 4.451 ( 0.000 3.909 -6.930) 7.956 4.637 ( 0.000 10.546 14.091) 17.600 4.787 ( 0.000 6.632 11.105) 12.934 4.908 ( 0.000 -2.089 14.901) 15.046 5.118 ( 0.000 -3.867 7.969) 8.858 5.202 ( 0.000 14.506 3.316) 14.880 5.653 ( 0.000 -8.185 -0.856) 8.230 5.727 ( 0.000 2.535 -5.014) 5.618 6.082 ( 0.000 -2.945 5.671) 6.390 6.200 ( 0.000 5.091 -6.804) 8.498 6.317 ( 0.000 -10.676 -11.874) 15.968 6.568 ( 0.000 -12.048 -6.184) 13.543 7.108 ( 0.000 6.627 -14.604) 16.037 7.171 ( 0.000 2.493 -9.925) 10.233 7.441 ( 0.000 -0.872 -10.751) 10.786 7.462 ( 0.000 2.167 -11.658) 11.858 7.747 ( 0.000 -1.037 -3.483) 3.634 7.885 ( 0.000 -4.849 -14.128) 14.937 8.129 ( 0.000 4.099 -8.180) 9.150 8.216 ( 0.000 6.106 0.765) 6.154 8.369 ( 0.000 -0.246 3.055) 3.064 8.707 ( 0.000 3.706 -4.133) 5.552 8.780 ( 0.000 8.416 -4.418) 9.505 9.039 ( 0.000 2.057 -1.020) 2.296 9.120 ( 0.000 -3.912 2.567) 4.679 9.221 ( 0.000 1.390 -2.697) 3.034 9.242 ( 0.000 7.551 7.987) 10.992 9.638 ( 0.000 -5.120 -3.276) 6.078 9.768 ( 0.000 -7.778 -10.401) 12.988 9.783 ( 0.000 -7.691 4.445) 8.883 10.017 ( 0.000 -4.825 1.773) 5.140 10.247 ( 0.000 0.775 -6.111) 6.160 10.499 ( 0.000 -10.588 -4.757) 11.608 10.615 ( 0.000 -9.961 -6.925) 12.131 10.720 ( 0.000 1.723 -6.050) 6.291 10.808 ( 0.000 -3.768 -3.111) 4.886 11.108 ( 0.000 2.883 3.277) 4.365 11.427 ( 0.000 -1.192 -5.058) 5.197 11.513 ( 0.000 -0.530 -8.191) 8.209 11.650 ( 0.000 -4.119 -12.528) 13.188 11.915 ( 0.000 -9.579 -0.672) 9.603 11.960 ( 0.000 -3.916 -5.026) 6.371 12.076 ( 0.000 7.352 6.756) 9.985 12.395 ( 0.000 0.597 1.764) 1.862 12.439 ( 0.000 14.091 8.281) 16.345 12.811 ( 0.000 1.647 9.987) 10.122 12.841 ( 0.000 1.055 -1.330) 1.698 13.232 ( 0.000 4.142 3.481) 5.410 13.491 ( 0.000 -3.425 8.109) 8.803 13.675 ( 0.000 -2.723 -0.747) 2.824 13.858 ( 0.000 1.033 0.471) 1.136 13.913 ( 0.000 12.179 -4.367) 12.938 14.422 ( 0.000 -6.995 2.316) 7.368 14.842 ( 0.000 -7.108 -8.297) 10.925 15.159 ( 0.000 5.707 -0.059) 5.707 15.427 ( 0.000 -3.480 -3.969) 5.279 15.810 ( 0.000 -6.464 4.365) 7.800 16.037 ( 0.000 -22.989 6.195) 23.809 22.408 ( 0.000 8.529 5.059) 9.916 22.769 ( 0.000 5.320 -1.073) 5.427 22.800 ( 0.000 3.271 -2.359) 4.033 22.816 ( 0.000 20.017 -8.513) 21.752 23.108 ( 0.000 -2.261 2.226) 3.173 23.429 ( 0.000 1.410 -5.665) 5.837 23.542 ( 0.000 3.366 -0.098) 3.367 23.788 ( 0.000 0.609 0.588) 0.846 23.919 ( 0.000 0.345 3.002) 3.021 23.952 ( 0.000 -0.300 3.407) 3.420 24.082 ( 0.000 2.248 2.823) 3.609 24.330 ( 0.000 0.630 -0.878) 1.081 24.734 ( 0.000 3.798 5.740) 6.883 24.949 ( 0.000 -6.869 -4.768) 8.362 25.107 ( 0.000 -5.839 10.432) 11.955 25.599 ( 0.000 -13.255 -0.303) 13.259 ======================= Grid point 146 (53/90) ======================= q-point: ( 0.20 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 6.558 13.495 23.962) 28.272 3.018 ( 4.651 27.866 16.429) 32.681 3.369 ( -7.096 17.554 9.097) 21.006 3.558 ( -5.774 8.397 7.881) 12.883 3.739 ( 2.763 8.343 0.894) 8.834 3.825 ( 5.411 0.625 3.127) 6.281 3.960 ( 1.270 5.272 1.126) 5.538 4.151 ( -1.106 7.462 7.477) 10.621 4.235 ( 0.497 8.808 0.888) 8.867 4.329 ( -1.514 16.519 8.821) 18.788 4.439 ( -1.330 1.129 -1.715) 2.446 4.666 ( 2.235 10.113 10.760) 14.934 4.801 ( 0.902 6.795 11.286) 13.205 4.901 ( -1.464 -1.973 12.839) 13.072 5.054 ( -3.494 -1.708 10.798) 11.477 5.178 ( -3.853 8.510 4.745) 10.477 5.637 ( -0.450 -4.417 -2.233) 4.970 5.727 ( -0.626 0.775 -5.395) 5.487 6.147 ( 5.532 -1.295 5.266) 7.747 6.199 ( 1.893 -0.824 -5.703) 6.065 6.373 ( 3.735 -4.652 -6.889) 9.113 6.586 ( 2.135 -12.168 -9.214) 15.412 6.924 ( -14.788 2.898 -11.129) 18.734 7.042 ( -10.918 -0.551 -11.278) 15.707 7.442 ( 3.199 2.730 -10.927) 11.708 7.586 ( 5.270 7.636 -10.803) 14.240 7.701 ( -2.465 7.321 -4.800) 9.095 7.899 ( 0.412 0.322 -14.756) 14.766 8.193 ( 6.945 -0.859 -7.682) 10.392 8.363 ( -0.579 -0.880 1.403) 1.755 8.400 ( 12.784 3.362 -2.934) 13.541 8.708 ( -0.350 2.986 -1.844) 3.527 8.765 ( -0.032 3.819 -1.724) 4.190 8.946 ( -6.642 4.495 -3.476) 8.741 9.035 ( -4.275 -3.101 4.102) 6.687 9.214 ( 2.009 3.192 4.441) 5.827 9.390 ( 7.513 0.289 3.107) 8.135 9.666 ( 2.018 -6.114 -1.657) 6.648 9.779 ( -1.129 -5.502 0.321) 5.626 9.830 ( 3.225 -6.441 -7.687) 10.534 10.010 ( 0.331 -6.901 -1.651) 7.103 10.235 ( 0.776 -0.775 -6.688) 6.777 10.444 ( -5.536 -9.866 -5.232) 12.464 10.603 ( -1.891 -4.278 -4.658) 6.601 10.713 ( 0.487 -1.914 -5.603) 5.941 10.834 ( 1.583 -2.472 -2.454) 3.826 11.136 ( 2.218 2.824 -2.269) 4.248 11.364 ( -4.264 -2.240 -1.780) 5.135 11.515 ( -5.042 -2.229 -5.582) 7.846 11.546 ( -2.933 0.761 -13.081) 13.428 11.830 ( -5.292 -6.460 0.150) 8.352 11.926 ( -5.093 -7.295 -3.296) 9.488 12.187 ( 8.336 5.202 4.586) 10.843 12.449 ( 4.910 2.490 1.867) 5.814 12.479 ( 2.736 9.552 4.963) 11.106 12.713 ( -5.877 2.547 4.206) 7.663 12.941 ( 6.315 2.059 5.373) 8.543 13.225 ( -1.071 4.721 3.830) 6.173 13.524 ( 3.278 -4.493 6.215) 8.340 13.696 ( 1.530 -2.407 -1.077) 3.049 13.839 ( -1.030 3.012 0.877) 3.302 13.925 ( 0.647 9.276 -2.891) 9.738 14.449 ( 2.949 -7.240 1.239) 7.915 14.794 ( -4.827 -7.269 -7.733) 11.659 15.163 ( 0.522 5.368 0.405) 5.409 15.376 ( -4.847 -2.786 -1.690) 5.840 15.831 ( 2.084 -7.510 3.711) 8.632 16.014 ( -2.297 -20.448 5.039) 21.185 22.423 ( 1.627 8.901 4.714) 10.203 22.670 ( -6.667 10.601 -1.901) 12.667 22.793 ( 1.467 5.825 -0.864) 6.068 22.891 ( 1.519 11.659 -6.991) 13.679 23.129 ( 3.551 -2.051 2.429) 4.766 23.500 ( -2.279 4.257 -1.275) 4.995 23.526 ( 6.428 -0.325 -5.289) 8.330 23.779 ( -0.875 0.530 0.303) 1.068 23.930 ( 1.386 0.632 2.425) 2.864 23.963 ( 1.125 -0.146 3.077) 3.280 24.063 ( -1.648 1.583 2.801) 3.615 24.294 ( -4.102 0.128 -2.265) 4.687 24.728 ( -0.389 3.239 5.795) 6.650 24.853 ( -5.958 -3.162 1.566) 6.925 25.224 ( 8.255 -8.114 4.969) 12.597 25.573 ( -2.706 -12.744 0.127) 13.029 ======================= Grid point 147 (54/90) ======================= q-point: ( 0.40 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( 12.486 12.792 19.951) 26.788 3.084 ( -4.111 18.699 13.918) 23.670 3.239 ( -0.151 19.419 13.840) 23.847 3.381 ( -10.327 18.038 9.152) 22.711 3.835 ( 5.940 3.203 0.786) 6.794 3.938 ( -3.919 2.603 0.056) 4.705 3.976 ( 9.631 2.278 -2.042) 10.105 4.132 ( -3.194 8.878 3.939) 10.224 4.193 ( -1.402 13.495 -3.530) 14.020 4.248 ( -6.075 10.974 0.260) 12.546 4.543 ( 10.990 -0.222 14.949) 18.556 4.716 ( 1.873 5.781 8.620) 10.546 4.762 ( -6.007 5.311 14.231) 16.334 4.815 ( -5.649 3.691 9.729) 11.840 5.052 ( 2.312 -0.893 13.075) 13.307 5.101 ( -2.770 1.895 8.468) 9.109 5.648 ( 1.425 -1.505 -5.170) 5.570 5.691 ( -2.700 -0.533 -6.363) 6.933 6.263 ( 5.776 1.309 4.117) 7.213 6.281 ( 4.445 -0.860 -1.795) 4.871 6.427 ( 3.390 -4.468 -1.325) 5.763 6.598 ( -10.048 -0.064 -8.192) 12.964 6.696 ( 1.624 -7.549 -10.698) 13.194 6.835 ( -9.805 -3.782 -12.060) 15.996 7.528 ( 5.246 5.751 -11.863) 14.189 7.608 ( -2.559 9.836 -9.573) 13.962 7.725 ( 5.139 10.136 -12.505) 16.897 7.849 ( -5.933 8.731 -14.746) 18.135 8.305 ( 3.653 -1.152 -5.238) 6.489 8.348 ( -1.050 1.271 -1.389) 2.156 8.593 ( 6.464 5.498 -2.900) 8.967 8.696 ( -4.854 0.023 0.297) 4.864 8.752 ( 5.277 0.301 -0.764) 5.340 8.889 ( -4.984 -4.896 -3.493) 7.811 9.058 ( 9.048 1.091 7.394) 11.736 9.212 ( -4.063 2.541 8.362) 9.638 9.517 ( 6.734 -6.293 -0.072) 9.217 9.668 ( -7.717 -9.125 -2.176) 12.147 9.730 ( 3.370 -2.692 -2.531) 5.001 9.817 ( -3.976 -4.374 -4.608) 7.495 10.086 ( 7.340 -7.186 -7.117) 12.497 10.241 ( -6.401 -5.109 -6.036) 10.174 10.392 ( 5.743 -5.259 -5.850) 9.739 10.530 ( -5.981 -2.977 -4.336) 7.965 10.748 ( 3.257 -0.499 -3.026) 4.474 10.824 ( -3.296 0.353 -1.096) 3.491 11.183 ( 3.795 0.728 -9.714) 10.455 11.282 ( -5.282 2.979 -7.308) 9.496 11.452 ( 1.807 -5.699 -2.346) 6.423 11.515 ( -2.927 -4.392 -6.326) 8.238 11.757 ( -0.876 -4.012 -0.056) 4.106 11.811 ( -5.613 -5.632 -0.585) 7.974 12.346 ( 8.042 4.560 3.888) 10.029 12.474 ( -4.161 5.140 3.120) 7.313 12.546 ( 4.366 2.252 1.233) 5.065 12.616 ( -3.681 3.779 2.730) 5.940 13.070 ( 6.690 4.223 6.382) 10.165 13.177 ( -4.126 5.177 5.178) 8.405 13.603 ( 4.586 -4.585 2.376) 6.906 13.684 ( -3.157 -3.311 -0.556) 4.608 13.862 ( 3.312 4.609 1.329) 5.829 13.918 ( -1.716 6.268 -0.663) 6.533 14.536 ( 6.051 -7.668 -1.822) 9.936 14.671 ( -7.384 -7.646 -5.506) 11.971 15.191 ( 2.692 3.593 1.387) 4.699 15.270 ( -5.367 0.078 1.216) 5.504 15.886 ( 3.478 -10.620 2.895) 11.544 15.956 ( -3.572 -15.318 3.313) 16.074 22.471 ( 3.393 9.786 3.551) 10.949 22.554 ( -5.244 10.608 1.317) 11.907 22.831 ( 2.346 6.361 -1.846) 7.026 22.876 ( -2.120 8.034 -3.839) 9.153 23.246 ( 7.702 0.795 0.624) 7.768 23.394 ( -7.132 2.510 0.054) 7.561 23.674 ( 6.320 -0.144 -4.621) 7.830 23.752 ( -2.278 0.242 -1.025) 2.509 23.973 ( 2.221 0.918 1.853) 3.035 23.994 ( 1.159 1.066 1.282) 2.031 24.046 ( 2.197 -0.496 1.290) 2.595 24.172 ( -7.992 -0.845 -3.521) 8.774 24.730 ( 0.850 2.328 5.814) 6.320 24.767 ( -3.049 0.796 4.868) 5.799 25.376 ( 7.268 -9.950 2.637) 12.601 25.497 ( -5.198 -11.497 1.197) 12.674 ======================= Grid point 150 (55/90) ======================= q-point: ( 0.00 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.958 ( 0.000 17.338 19.909) 26.400 3.399 ( 0.000 8.230 16.963) 18.854 3.569 ( 0.000 -0.160 3.918) 3.921 3.672 ( 0.000 -7.139 10.756) 12.909 3.753 ( 0.000 9.255 7.440) 11.875 4.014 ( 0.000 10.081 10.270) 14.391 4.234 ( 0.000 13.415 0.097) 13.415 4.272 ( 0.000 11.330 8.800) 14.346 4.364 ( 0.000 3.902 3.534) 5.265 4.474 ( 0.000 1.989 -5.515) 5.863 4.696 ( 0.000 9.214 2.539) 9.558 4.844 ( 0.000 -3.211 12.517) 12.923 4.858 ( 0.000 11.542 12.197) 16.793 4.999 ( 0.000 10.121 8.647) 13.312 5.049 ( 0.000 -1.598 11.997) 12.103 5.307 ( 0.000 -8.787 6.105) 10.699 5.635 ( 0.000 6.672 -0.371) 6.682 5.795 ( 0.000 2.272 -2.222) 3.178 6.028 ( 0.000 1.366 -1.410) 1.963 6.162 ( 0.000 -4.049 -8.653) 9.554 6.215 ( 0.000 -6.206 -10.882) 12.527 6.327 ( 0.000 -7.605 -1.677) 7.788 7.199 ( 0.000 -0.061 -11.186) 11.187 7.200 ( 0.000 1.180 -13.633) 13.684 7.437 ( 0.000 3.054 -13.205) 13.554 7.519 ( 0.000 3.271 -12.075) 12.510 7.693 ( 0.000 -3.935 -11.614) 12.262 7.772 ( 0.000 -7.144 -17.178) 18.605 8.299 ( 0.000 9.570 1.512) 9.689 8.332 ( 0.000 7.798 3.219) 8.437 8.458 ( 0.000 8.846 -0.307) 8.851 8.872 ( 0.000 7.272 -2.560) 7.710 8.942 ( 0.000 6.354 -2.228) 6.733 9.007 ( 0.000 -4.760 -0.231) 4.766 9.047 ( 0.000 1.874 -0.134) 1.879 9.231 ( 0.000 -7.229 -3.161) 7.890 9.395 ( 0.000 4.925 2.439) 5.496 9.465 ( 0.000 -7.277 -3.577) 8.109 9.614 ( 0.000 -6.721 -3.089) 7.397 9.627 ( 0.000 -4.495 -10.885) 11.777 9.943 ( 0.000 -1.492 0.458) 1.560 10.212 ( 0.000 -3.412 -6.267) 7.136 10.257 ( 0.000 -10.713 -4.731) 11.712 10.289 ( 0.000 -15.230 -3.401) 15.605 10.785 ( 0.000 3.818 -3.530) 5.200 10.841 ( 0.000 1.973 -5.385) 5.735 11.227 ( 0.000 8.185 1.730) 8.366 11.412 ( 0.000 -0.244 -1.174) 1.199 11.451 ( 0.000 -3.362 -3.445) 4.814 11.597 ( 0.000 -3.225 -10.361) 10.851 11.708 ( 0.000 -7.737 -1.144) 7.821 11.817 ( 0.000 -7.485 -7.289) 10.447 12.300 ( 0.000 12.253 7.599) 14.418 12.474 ( 0.000 6.117 3.581) 7.089 12.692 ( 0.000 3.577 5.110) 6.237 12.776 ( 0.000 -7.280 3.608) 8.125 12.863 ( 0.000 8.349 12.454) 14.993 13.280 ( 0.000 -2.688 3.039) 4.057 13.442 ( 0.000 1.448 7.274) 7.417 13.621 ( 0.000 -2.914 0.027) 2.914 13.904 ( 0.000 4.179 1.454) 4.425 14.173 ( 0.000 11.416 -6.963) 13.372 14.249 ( 0.000 -8.135 1.991) 8.375 14.663 ( 0.000 -9.781 -9.192) 13.422 15.308 ( 0.000 7.871 -1.188) 7.960 15.367 ( 0.000 -1.484 0.278) 1.509 15.631 ( 0.000 -14.759 5.659) 15.806 15.665 ( 0.000 -7.311 0.003) 7.311 22.595 ( 0.000 8.827 5.725) 10.521 22.835 ( 0.000 -0.516 4.467) 4.497 22.869 ( 0.000 4.145 -1.098) 4.289 23.044 ( 0.000 -3.470 1.968) 3.989 23.172 ( 0.000 13.009 -11.170) 17.147 23.430 ( 0.000 -1.214 -8.181) 8.270 23.649 ( 0.000 5.958 -3.451) 6.886 23.793 ( 0.000 -0.449 -0.198) 0.491 23.927 ( 0.000 0.404 3.321) 3.346 23.944 ( 0.000 -0.386 3.654) 3.674 24.149 ( 0.000 4.282 1.064) 4.412 24.330 ( 0.000 -1.323 -3.272) 3.529 24.819 ( 0.000 -4.306 1.752) 4.649 24.824 ( 0.000 3.318 4.995) 5.996 24.996 ( 0.000 -2.732 9.026) 9.431 25.323 ( 0.000 -12.555 2.299) 12.764 ======================= Grid point 151 (56/90) ======================= q-point: ( 0.20 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.002 ( 4.995 16.538 18.025) 24.967 3.450 ( 3.860 9.919 15.709) 18.975 3.548 ( -1.652 2.411 5.837) 6.528 3.686 ( 1.474 -4.452 11.031) 11.987 3.785 ( 2.857 6.035 4.991) 8.336 3.997 ( -2.289 11.950 8.714) 14.966 4.176 ( -5.243 8.471 3.497) 10.558 4.289 ( 1.266 10.959 7.530) 13.357 4.394 ( 2.951 4.442 2.826) 6.035 4.437 ( -4.044 1.423 -4.595) 6.284 4.622 ( -5.420 7.297 1.026) 9.147 4.802 ( -3.824 -4.390 13.699) 14.885 4.871 ( 0.707 9.955 9.377) 13.694 4.978 ( -1.233 3.802 12.863) 13.470 5.031 ( -1.246 3.123 9.856) 10.414 5.218 ( -7.968 -6.899 5.937) 12.096 5.675 ( 3.088 6.800 -1.472) 7.612 5.797 ( -0.330 3.858 -2.677) 4.708 6.074 ( 3.896 -1.056 -0.117) 4.039 6.180 ( 5.284 -0.578 -6.716) 8.565 6.303 ( -1.858 -10.436 -1.872) 10.764 6.340 ( 9.429 -4.254 -10.544) 14.771 6.983 ( -15.503 2.290 -10.721) 18.988 7.040 ( -12.608 -0.313 -11.309) 16.939 7.510 ( 6.479 4.911 -14.334) 16.479 7.704 ( 10.920 4.122 -14.239) 18.411 7.788 ( 5.983 -0.371 -12.117) 13.519 7.886 ( 10.580 -3.359 -14.022) 17.884 8.256 ( -1.552 6.616 -1.409) 6.940 8.376 ( 2.908 6.422 0.279) 7.056 8.503 ( 3.747 4.029 2.092) 5.886 8.780 ( -7.989 2.707 -6.810) 10.841 8.892 ( -5.762 3.710 3.036) 7.496 8.946 ( -2.734 1.600 -1.331) 3.436 9.057 ( 1.097 3.632 1.547) 4.097 9.250 ( 2.691 -4.807 -4.231) 6.946 9.362 ( -3.203 -3.294 4.300) 6.292 9.483 ( 1.905 -7.457 -2.137) 7.987 9.701 ( 3.159 -2.231 -7.659) 8.580 9.725 ( 8.921 -1.547 -5.802) 10.753 9.888 ( -4.832 -3.721 -1.401) 6.258 10.124 ( -2.251 -9.794 -6.089) 11.750 10.236 ( -2.705 -7.021 -4.230) 8.632 10.369 ( 3.070 -11.454 -3.394) 12.335 10.786 ( 0.725 4.517 -4.057) 6.115 10.852 ( 1.792 1.521 -4.216) 4.827 11.236 ( -1.461 6.373 -3.050) 7.214 11.344 ( -2.760 1.008 2.427) 3.811 11.440 ( -3.834 -4.313 -5.670) 8.090 11.558 ( -4.500 0.752 -11.687) 12.546 11.654 ( -2.456 -9.052 1.454) 9.491 11.767 ( -4.348 -7.633 -5.024) 10.120 12.351 ( 4.708 10.162 6.610) 13.005 12.521 ( 3.886 4.905 2.985) 6.933 12.663 ( -2.813 2.866 5.276) 6.630 12.733 ( -2.576 -1.961 4.512) 5.553 12.981 ( 9.344 5.240 10.392) 14.926 13.310 ( 2.264 0.209 1.921) 2.977 13.437 ( -0.096 -1.128 7.473) 7.559 13.625 ( -0.351 -4.246 -0.234) 4.267 13.912 ( 1.402 5.119 1.889) 5.634 14.150 ( -2.436 11.003 -6.154) 12.840 14.270 ( 2.327 -9.325 2.007) 9.818 14.611 ( -5.219 -9.900 -7.850) 13.670 15.306 ( -0.244 7.763 -0.983) 7.829 15.343 ( -2.002 0.348 1.073) 2.298 15.643 ( 0.990 -13.835 3.967) 14.427 15.667 ( 0.186 -8.321 -0.026) 8.323 22.613 ( 1.910 8.817 5.316) 10.471 22.823 ( -3.919 5.763 0.005) 6.969 22.853 ( 1.782 -0.539 4.061) 4.467 23.027 ( -2.529 -2.880 1.269) 4.037 23.214 ( 5.079 11.637 -8.903) 15.507 23.504 ( 6.422 -2.180 -8.542) 10.907 23.612 ( -3.719 6.196 -3.997) 8.258 23.780 ( -1.333 -0.816 -0.745) 1.731 23.943 ( 1.753 0.557 2.854) 3.396 23.958 ( 1.447 -0.252 3.324) 3.634 24.113 ( -3.263 3.208 1.557) 4.833 24.276 ( -5.583 -2.317 -3.992) 7.244 24.778 ( -0.473 1.187 5.378) 5.527 24.861 ( 0.152 4.658 3.970) 6.122 25.047 ( 4.902 -7.625 6.803) 11.333 25.304 ( -2.015 -12.409 2.518) 12.822 ======================= Grid point 152 (57/90) ======================= q-point: ( 0.40 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( 10.847 14.794 14.515) 23.393 3.376 ( -10.176 11.806 11.864) 19.587 3.631 ( 7.987 10.492 11.192) 17.296 3.721 ( 0.555 0.014 8.569) 8.587 3.827 ( 1.482 4.091 3.683) 5.701 3.907 ( -5.928 7.646 5.412) 11.086 4.120 ( 0.907 2.586 5.369) 6.028 4.217 ( -8.162 1.307 1.212) 8.354 4.407 ( 2.804 7.741 4.091) 9.194 4.447 ( 0.309 5.674 4.046) 6.975 4.591 ( 3.253 3.565 2.664) 5.512 4.701 ( -6.357 -1.862 10.018) 12.010 4.889 ( 1.489 6.223 7.769) 10.065 4.948 ( -3.308 3.066 13.000) 13.760 5.020 ( 1.359 -1.182 10.348) 10.504 5.081 ( -4.671 -3.760 7.463) 9.573 5.726 ( 2.378 8.103 -4.174) 9.420 5.772 ( -2.160 7.353 -4.304) 8.790 6.155 ( 4.469 -7.353 1.945) 8.822 6.239 ( -3.936 -9.136 0.747) 9.976 6.381 ( 13.809 3.036 -5.566) 15.195 6.553 ( 11.940 -3.117 -10.629) 16.286 6.676 ( -15.975 3.687 -7.318) 17.954 6.793 ( -12.760 -1.025 -10.516) 16.567 7.656 ( 8.255 7.367 -14.325) 18.100 7.795 ( -4.617 8.880 -12.347) 15.894 7.902 ( 9.136 4.216 -17.636) 20.304 8.022 ( 0.071 3.834 -15.714) 16.175 8.292 ( 4.765 1.539 -1.629) 5.266 8.387 ( -2.842 4.232 -0.833) 5.165 8.589 ( 4.958 -5.780 0.996) 7.680 8.665 ( -3.184 -1.984 -2.946) 4.770 8.819 ( -0.973 3.963 2.189) 4.631 8.865 ( -4.498 4.363 -2.487) 6.742 9.132 ( 6.617 1.840 4.906) 8.441 9.270 ( -6.160 -3.162 5.137) 8.622 9.345 ( 6.597 -5.181 -4.006) 9.295 9.484 ( -4.898 -2.656 -2.247) 6.008 9.668 ( -0.298 -4.615 -5.703) 7.342 9.749 ( -5.905 -2.549 -3.321) 7.238 9.955 ( 10.435 -3.469 -5.512) 12.300 10.134 ( -7.107 -3.322 -3.595) 8.629 10.208 ( 7.775 -10.920 -5.871) 14.635 10.349 ( -5.119 -10.848 -3.368) 12.459 10.839 ( 4.843 6.294 -4.145) 8.958 10.906 ( 1.149 5.336 -2.794) 6.132 11.152 ( -1.430 -2.662 -7.642) 8.218 11.277 ( -10.788 -5.470 -7.944) 14.471 11.386 ( 4.585 2.651 0.753) 5.349 11.474 ( -4.247 0.932 -4.430) 6.208 11.647 ( 1.055 -6.441 -1.679) 6.739 11.688 ( -3.267 -6.475 -2.321) 7.615 12.457 ( 5.836 6.815 5.162) 10.351 12.555 ( -3.159 4.000 2.965) 5.897 12.628 ( 1.912 2.650 5.314) 6.238 12.683 ( -2.791 0.490 4.143) 5.019 13.166 ( 8.990 5.680 8.204) 13.430 13.299 ( -4.257 6.167 4.561) 8.772 13.482 ( 4.873 -6.665 3.888) 9.127 13.580 ( -4.373 -6.001 0.747) 7.463 13.976 ( 5.039 6.480 0.666) 8.236 14.078 ( -4.916 8.489 -2.841) 10.213 14.346 ( 5.747 -9.909 -0.207) 11.457 14.481 ( -7.618 -9.969 -4.256) 13.249 15.302 ( -0.038 6.793 -0.206) 6.796 15.310 ( -1.083 4.031 0.966) 4.284 15.660 ( 0.702 -11.951 1.575) 12.075 15.668 ( -0.156 -10.352 0.327) 10.358 22.666 ( 3.436 8.563 4.052) 10.077 22.741 ( -4.270 7.606 2.064) 8.963 22.900 ( 2.979 -0.511 3.091) 4.323 22.964 ( -3.531 -0.942 1.755) 4.054 23.347 ( 7.981 8.702 -6.537) 13.497 23.497 ( -7.083 7.130 -4.977) 11.215 23.644 ( 6.350 -3.056 -6.975) 9.916 23.738 ( -3.307 -1.995 -2.974) 4.874 23.989 ( 2.516 0.640 2.640) 3.703 24.008 ( 4.104 0.022 0.539) 4.140 24.049 ( -2.617 1.063 2.302) 3.644 24.139 ( -7.715 -2.282 -3.115) 8.628 24.798 ( 2.007 4.632 5.985) 7.830 24.839 ( -1.977 6.101 5.419) 8.396 25.153 ( 5.489 -10.745 4.389) 12.839 25.246 ( -3.986 -11.898 3.176) 12.943 ======================= Grid point 155 (58/90) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.307 ( 0.000 -14.349 16.673) 21.997 3.307 ( 0.000 14.349 16.673) 21.997 3.566 ( 0.000 -0.576 4.292) 4.330 3.566 ( 0.000 0.576 4.292) 4.330 3.977 ( 0.000 -8.972 18.137) 20.235 3.977 ( 0.000 8.972 18.137) 20.235 4.413 ( 0.000 -4.445 2.758) 5.231 4.413 ( 0.000 4.445 2.758) 5.231 4.490 ( 0.000 -2.686 -2.586) 3.728 4.490 ( 0.000 2.686 -2.586) 3.728 4.776 ( 0.000 -2.322 2.209) 3.205 4.776 ( 0.000 2.322 2.209) 3.205 5.067 ( 0.000 -5.667 8.956) 10.598 5.067 ( 0.000 5.667 8.956) 10.598 5.106 ( 0.000 -6.858 13.767) 15.380 5.106 ( 0.000 6.858 13.767) 15.380 5.744 ( 0.000 -6.031 1.105) 6.132 5.744 ( 0.000 6.031 1.105) 6.132 6.110 ( 0.000 -0.111 -8.701) 8.701 6.110 ( 0.000 0.111 -8.701) 8.701 6.181 ( 0.000 -8.594 -3.944) 9.456 6.181 ( 0.000 8.594 -3.944) 9.456 7.192 ( 0.000 -0.245 -12.393) 12.395 7.192 ( 0.000 0.245 -12.393) 12.395 7.580 ( 0.000 -7.023 -11.477) 13.455 7.580 ( 0.000 7.023 -11.477) 13.455 7.605 ( 0.000 -1.983 -16.900) 17.016 7.605 ( 0.000 1.983 -16.900) 17.016 8.427 ( 0.000 -1.001 6.060) 6.142 8.427 ( 0.000 1.001 6.060) 6.142 8.809 ( 0.000 -20.747 -6.999) 21.896 8.809 ( 0.000 20.747 -6.999) 21.896 8.929 ( 0.000 -3.876 -0.896) 3.978 8.929 ( 0.000 3.876 -0.896) 3.978 9.095 ( 0.000 -3.183 1.509) 3.523 9.095 ( 0.000 3.183 1.509) 3.523 9.422 ( 0.000 -1.529 -6.638) 6.812 9.422 ( 0.000 1.529 -6.638) 6.812 9.574 ( 0.000 -0.467 -6.727) 6.743 9.574 ( 0.000 0.467 -6.727) 6.743 10.002 ( 0.000 -8.299 -0.826) 8.340 10.002 ( 0.000 8.299 -0.826) 8.340 10.164 ( 0.000 -0.440 -3.247) 3.277 10.164 ( 0.000 0.440 -3.247) 3.277 10.846 ( 0.000 -1.479 -4.318) 4.564 10.846 ( 0.000 1.479 -4.318) 4.564 11.403 ( 0.000 -3.250 -4.694) 5.709 11.403 ( 0.000 3.250 -4.694) 5.709 11.438 ( 0.000 -7.515 3.845) 8.441 11.438 ( 0.000 7.515 3.845) 8.441 11.689 ( 0.000 -3.846 -9.295) 10.059 11.689 ( 0.000 3.846 -9.295) 10.059 12.562 ( 0.000 -12.135 6.678) 13.851 12.562 ( 0.000 12.135 6.678) 13.851 12.617 ( 0.000 -6.631 5.100) 8.365 12.617 ( 0.000 6.631 5.100) 8.365 13.114 ( 0.000 -11.452 8.350) 14.173 13.114 ( 0.000 11.452 8.350) 14.173 13.534 ( 0.000 -5.195 2.158) 5.625 13.534 ( 0.000 5.195 2.158) 5.625 14.046 ( 0.000 -8.791 2.838) 9.238 14.046 ( 0.000 8.791 2.838) 9.238 14.436 ( 0.000 -11.668 -9.323) 14.936 14.436 ( 0.000 11.668 -9.323) 14.936 15.391 ( 0.000 -3.403 2.792) 4.402 15.391 ( 0.000 3.403 2.792) 4.402 15.510 ( 0.000 -6.268 -1.315) 6.404 15.510 ( 0.000 6.268 -1.315) 6.404 22.759 ( 0.000 -6.262 6.017) 8.684 22.759 ( 0.000 6.262 6.017) 8.684 22.960 ( 0.000 -4.328 0.684) 4.382 22.960 ( 0.000 4.328 0.684) 4.382 23.365 ( 0.000 -5.590 -10.110) 11.552 23.365 ( 0.000 5.590 -10.110) 11.552 23.754 ( 0.000 -3.498 -2.425) 4.256 23.754 ( 0.000 3.498 -2.425) 4.256 23.936 ( 0.000 -0.413 3.641) 3.665 23.936 ( 0.000 0.413 3.641) 3.665 24.256 ( 0.000 -5.257 -2.909) 6.008 24.256 ( 0.000 5.257 -2.909) 6.008 24.803 ( 0.000 -2.435 6.627) 7.060 24.803 ( 0.000 2.435 6.627) 7.060 25.088 ( 0.000 -9.341 4.365) 10.310 25.088 ( 0.000 9.341 4.365) 10.310 ======================= Grid point 157 (59/90) ======================= q-point: ( 0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.342 ( 4.099 -14.643 13.425) 20.284 3.342 ( 4.099 14.643 13.425) 20.284 3.602 ( 2.659 -3.456 6.228) 7.603 3.602 ( 2.659 3.456 6.228) 7.603 3.984 ( 0.807 -8.717 17.294) 19.384 3.984 ( 0.807 8.717 17.294) 19.384 4.359 ( -7.064 -6.892 2.489) 10.178 4.359 ( -7.064 6.892 2.489) 10.178 4.505 ( 1.626 -1.305 -2.411) 3.188 4.505 ( 1.626 1.305 -2.411) 3.188 4.680 ( -6.252 -5.178 3.533) 8.853 4.680 ( -6.252 5.178 3.533) 8.853 5.034 ( -3.473 -0.598 11.732) 12.250 5.034 ( -3.473 0.598 11.732) 12.250 5.073 ( -2.925 -1.428 9.664) 10.198 5.073 ( -2.925 1.428 9.664) 10.198 5.792 ( 4.542 -4.764 0.847) 6.637 5.792 ( 4.542 4.764 0.847) 6.637 6.128 ( -2.455 -4.833 -2.944) 6.168 6.128 ( -2.455 4.833 -2.944) 6.168 6.238 ( 9.246 -5.861 -8.555) 13.893 6.238 ( 9.246 5.861 -8.555) 13.893 7.019 ( -13.115 -1.396 -10.809) 17.053 7.019 ( -13.115 1.396 -10.809) 17.053 7.660 ( 7.208 -8.242 -16.902) 20.139 7.660 ( 7.208 8.242 -16.902) 20.139 7.802 ( 14.730 -3.595 -12.364) 19.564 7.802 ( 14.730 3.595 -12.364) 19.564 8.404 ( -2.348 -4.759 3.447) 6.328 8.404 ( -2.348 4.759 3.447) 6.328 8.719 ( -7.397 -10.869 -5.330) 14.187 8.719 ( -7.397 10.869 -5.330) 14.187 8.933 ( 0.611 -8.129 0.303) 8.157 8.933 ( 0.611 8.129 0.303) 8.157 9.106 ( -0.849 -8.215 0.820) 8.299 9.106 ( -0.849 8.215 0.820) 8.299 9.375 ( 0.149 -6.120 -5.623) 8.312 9.375 ( 0.149 6.120 -5.623) 8.312 9.709 ( 7.494 -2.148 -5.892) 9.772 9.709 ( 7.494 2.148 -5.892) 9.772 9.915 ( -4.996 -7.309 -2.369) 9.165 9.915 ( -4.996 7.309 -2.369) 9.165 10.200 ( 1.179 -3.704 -2.355) 4.545 10.200 ( 1.179 3.704 -2.355) 4.545 10.854 ( 1.683 -1.555 -4.333) 4.901 10.854 ( 1.683 1.555 -4.333) 4.901 11.346 ( -6.672 -3.953 -3.389) 8.463 11.346 ( -6.672 3.953 -3.389) 8.463 11.456 ( 1.840 -8.360 0.611) 8.581 11.456 ( 1.840 8.360 0.611) 8.581 11.625 ( -4.854 -5.103 -7.353) 10.182 11.625 ( -4.854 5.103 -7.353) 10.182 12.578 ( 1.389 -10.105 6.294) 11.985 12.578 ( 1.389 10.105 6.294) 11.985 12.629 ( 0.785 -4.470 4.682) 6.520 12.629 ( 0.785 4.470 4.682) 6.520 13.174 ( 5.907 -10.058 7.639) 13.943 13.174 ( 5.907 10.058 7.639) 13.943 13.518 ( -1.980 -5.671 2.200) 6.396 13.518 ( -1.980 5.671 2.200) 6.396 14.064 ( 2.244 -9.023 2.577) 9.649 14.064 ( 2.244 9.023 2.577) 9.649 14.389 ( -4.724 -11.006 -7.539) 14.152 14.389 ( -4.724 11.006 -7.539) 14.152 15.405 ( 1.323 -4.640 1.966) 5.210 15.405 ( 1.323 4.640 1.966) 5.210 15.500 ( -0.997 -6.354 -1.214) 6.546 15.500 ( -0.997 6.354 -1.214) 6.546 22.776 ( 1.796 -6.246 5.651) 8.612 22.776 ( 1.796 6.246 5.651) 8.612 22.936 ( -2.277 -5.065 1.331) 5.710 22.936 ( -2.277 5.065 1.331) 5.710 23.414 ( 4.829 -6.771 -9.747) 12.813 23.414 ( 4.829 6.771 -9.747) 12.813 23.730 ( -2.604 -4.228 -3.178) 5.896 23.730 ( -2.604 4.228 -3.178) 5.896 23.953 ( 1.709 -0.327 3.260) 3.695 23.953 ( 1.709 0.327 3.260) 3.695 24.197 ( -5.349 -4.540 -2.001) 7.296 24.197 ( -5.349 4.540 -2.001) 7.296 24.849 ( 4.107 -5.329 6.066) 9.059 24.849 ( 4.107 5.329 6.066) 9.059 25.070 ( -1.891 -9.242 4.473) 10.440 25.070 ( -1.891 9.242 4.473) 10.440 ======================= Grid point 159 (60/90) ======================= q-point: ( 0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.471 ( 8.634 -14.154 8.864) 18.801 3.471 ( 8.634 14.154 8.864) 18.801 3.607 ( -3.598 -9.535 7.654) 12.746 3.607 ( -3.598 9.535 7.654) 12.746 4.019 ( 3.613 -8.502 14.025) 16.794 4.019 ( 3.613 8.502 14.025) 16.794 4.156 ( -10.829 -7.302 6.556) 14.614 4.156 ( -10.829 7.302 6.556) 14.614 4.555 ( 3.342 -3.898 -0.464) 5.155 4.555 ( 3.342 3.898 -0.464) 5.155 4.612 ( -2.277 -6.298 2.327) 7.090 4.612 ( -2.277 6.298 2.327) 7.090 4.975 ( -1.107 -1.336 10.872) 11.009 4.975 ( -1.107 1.336 10.872) 11.009 5.007 ( -3.503 -3.175 9.027) 10.190 5.007 ( -3.503 3.175 9.027) 10.190 5.904 ( 6.768 -3.388 -0.454) 7.583 5.904 ( 6.768 3.388 -0.454) 7.583 6.035 ( -6.395 -4.138 -1.876) 7.844 6.035 ( -6.395 4.138 -1.876) 7.844 6.477 ( 14.199 -4.616 -7.648) 16.775 6.477 ( 14.199 4.616 -7.648) 16.775 6.754 ( -14.254 -3.049 -8.461) 16.854 6.754 ( -14.254 3.049 -8.461) 16.854 7.835 ( 10.077 -8.408 -17.050) 21.516 7.835 ( 10.077 8.408 -17.050) 21.516 7.973 ( -0.741 -6.824 -15.450) 16.906 7.973 ( -0.741 6.824 -15.450) 16.906 8.406 ( 5.584 -7.252 0.696) 9.179 8.406 ( 5.584 7.252 0.696) 9.179 8.567 ( -8.602 -6.812 -1.021) 11.020 8.567 ( -8.602 6.812 -1.021) 11.020 8.965 ( 3.006 -11.116 0.099) 11.516 8.965 ( 3.006 11.116 0.099) 11.516 9.043 ( -4.585 -11.305 -0.309) 12.204 9.043 ( -4.585 11.305 -0.309) 12.204 9.465 ( 8.101 -7.922 -3.055) 11.735 9.465 ( 8.101 7.922 -3.055) 11.735 9.647 ( -9.772 -6.023 -2.348) 11.717 9.647 ( -9.772 6.023 -2.348) 11.717 10.000 ( 9.648 -7.239 -4.587) 12.904 10.000 ( 9.648 7.239 -4.587) 12.904 10.158 ( -5.733 -5.832 -2.841) 8.658 10.158 ( -5.733 5.832 -2.841) 8.658 10.948 ( 8.396 -2.755 -4.828) 10.070 10.948 ( 8.396 2.755 -4.828) 10.070 11.154 ( -11.877 -4.235 -4.910) 13.532 11.154 ( -11.877 4.235 -4.910) 13.532 11.500 ( 2.503 -6.924 -1.544) 7.523 11.500 ( 2.503 6.924 -1.544) 7.523 11.551 ( -2.958 -5.744 -3.728) 7.459 11.551 ( -2.958 5.744 -3.728) 7.459 12.608 ( 1.575 -5.888 5.425) 8.160 12.608 ( 1.575 5.888 5.425) 8.160 12.631 ( -0.650 -1.552 4.687) 4.979 12.631 ( -0.650 1.552 4.687) 4.979 13.314 ( 7.784 -7.484 5.688) 12.205 13.314 ( 7.784 7.484 5.688) 12.205 13.447 ( -5.566 -6.219 3.387) 9.007 13.447 ( -5.566 6.219 3.387) 9.007 14.141 ( 5.745 -9.124 0.521) 10.794 14.141 ( 5.745 9.124 0.521) 10.794 14.270 ( -7.064 -9.730 -3.490) 12.520 14.270 ( -7.064 9.730 -3.490) 12.520 15.437 ( 1.935 -6.022 0.399) 6.338 15.437 ( 1.935 6.022 0.399) 6.338 15.474 ( -1.739 -6.440 -0.735) 6.711 15.474 ( -1.739 6.440 -0.735) 6.711 22.823 ( 2.912 -6.112 4.535) 8.149 22.823 ( 2.912 6.112 4.535) 8.149 22.882 ( -3.117 -5.760 2.886) 7.157 22.882 ( -3.117 5.760 2.886) 7.157 23.531 ( 6.765 -7.417 -8.289) 13.019 23.531 ( 6.765 7.417 -8.289) 13.019 23.652 ( -5.421 -6.145 -5.567) 9.906 23.652 ( -5.421 6.145 -5.567) 9.906 24.001 ( 3.414 -0.497 2.088) 4.033 24.001 ( 3.414 0.497 2.089) 4.033 24.086 ( -5.439 -2.356 0.028) 5.927 24.086 ( -5.439 2.356 0.028) 5.927 24.937 ( 4.632 -7.663 5.320) 10.415 24.937 ( 4.632 7.663 5.320) 10.415 25.017 ( -3.548 -8.796 4.795) 10.628 25.017 ( -3.548 8.796 4.795) 10.628 ======================= Grid point 180 (61/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 0.000 0.000 19.687) 19.687 2.859 ( 0.000 0.000 0.556) 0.556 2.978 ( 0.000 0.000 28.445) 28.445 3.366 ( 0.000 0.000 5.838) 5.838 3.616 ( 0.000 0.000 -0.379) 0.379 3.666 ( 0.000 0.000 -3.848) 3.848 3.716 ( 0.000 0.000 -9.767) 9.767 3.798 ( 0.000 0.000 -10.878) 10.878 4.047 ( 0.000 0.000 4.442) 4.442 4.107 ( 0.000 0.000 -0.910) 0.910 4.309 ( 0.000 0.000 1.870) 1.870 4.428 ( 0.000 0.000 -4.314) 4.314 4.981 ( 0.000 0.000 28.747) 28.747 5.118 ( 0.000 0.000 9.456) 9.456 5.297 ( 0.000 0.000 6.198) 6.198 5.384 ( 0.000 0.000 9.700) 9.700 5.732 ( 0.000 0.000 -7.247) 7.247 5.872 ( 0.000 0.000 -0.674) 0.674 5.877 ( 0.000 0.000 0.711) 0.711 6.037 ( 0.000 0.000 -16.277) 16.277 6.618 ( 0.000 0.000 5.348) 5.348 6.670 ( 0.000 0.000 -2.039) 2.039 6.740 ( 0.000 0.000 -0.852) 0.852 6.880 ( 0.000 0.000 -8.948) 8.948 7.203 ( 0.000 0.000 -6.094) 6.094 7.234 ( 0.000 0.000 -5.726) 5.726 7.813 ( 0.000 0.000 -5.693) 5.693 7.866 ( 0.000 0.000 -9.527) 9.527 7.900 ( 0.000 0.000 -6.569) 6.569 7.978 ( 0.000 0.000 -5.148) 5.148 8.445 ( 0.000 0.000 0.559) 0.559 8.448 ( 0.000 0.000 0.004) 0.004 8.748 ( 0.000 0.000 3.443) 3.443 9.007 ( 0.000 0.000 9.924) 9.924 9.106 ( 0.000 0.000 -8.510) 8.510 9.249 ( 0.000 0.000 4.579) 4.579 9.261 ( 0.000 0.000 6.991) 6.991 9.513 ( 0.000 0.000 -14.850) 14.850 9.879 ( 0.000 0.000 1.567) 1.567 10.046 ( 0.000 0.000 -2.559) 2.559 10.218 ( 0.000 0.000 8.947) 8.947 10.389 ( 0.000 0.000 8.263) 8.263 10.530 ( 0.000 0.000 0.419) 0.419 10.556 ( 0.000 0.000 1.640) 1.640 10.629 ( 0.000 0.000 -8.413) 8.413 10.976 ( 0.000 0.000 -13.341) 13.341 11.092 ( 0.000 0.000 -6.151) 6.151 11.191 ( 0.000 0.000 -10.465) 10.465 11.398 ( 0.000 0.000 2.536) 2.536 11.619 ( 0.000 0.000 -7.836) 7.836 11.904 ( 0.000 0.000 1.441) 1.441 11.993 ( 0.000 0.000 -4.014) 4.014 12.053 ( 0.000 0.000 10.343) 10.343 12.373 ( 0.000 0.000 4.797) 4.797 12.409 ( 0.000 0.000 -6.000) 6.000 12.635 ( 0.000 0.000 -5.134) 5.134 12.882 ( 0.000 0.000 9.705) 9.705 13.178 ( 0.000 0.000 -3.331) 3.331 13.646 ( 0.000 0.000 5.126) 5.126 13.664 ( 0.000 0.000 4.023) 4.023 13.777 ( 0.000 0.000 -1.008) 1.008 13.792 ( 0.000 0.000 -2.099) 2.099 14.621 ( 0.000 0.000 3.350) 3.350 14.834 ( 0.000 0.000 -7.554) 7.554 15.106 ( 0.000 0.000 3.008) 3.008 15.332 ( 0.000 0.000 -7.744) 7.744 16.215 ( 0.000 0.000 11.849) 11.849 16.642 ( 0.000 0.000 -7.909) 7.909 22.222 ( 0.000 0.000 4.847) 4.847 22.351 ( 0.000 0.000 5.905) 5.905 22.456 ( 0.000 0.000 -6.244) 6.244 22.609 ( 0.000 0.000 -6.252) 6.252 23.202 ( 0.000 0.000 2.563) 2.563 23.306 ( 0.000 0.000 -2.369) 2.369 23.609 ( 0.000 0.000 5.113) 5.113 23.763 ( 0.000 0.000 -1.470) 1.470 23.964 ( 0.000 0.000 2.166) 2.166 23.989 ( 0.000 0.000 0.504) 0.504 24.085 ( 0.000 0.000 2.325) 2.325 24.276 ( 0.000 0.000 -4.464) 4.464 24.811 ( 0.000 0.000 6.721) 6.721 24.985 ( 0.000 0.000 -3.881) 3.881 25.463 ( 0.000 0.000 9.632) 9.632 25.808 ( 0.000 0.000 -7.514) 7.514 ======================= Grid point 181 (62/90) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( 5.425 0.000 18.115) 18.910 2.841 ( -2.049 0.000 2.937) 3.581 3.050 ( 7.323 0.000 25.454) 26.486 3.391 ( 2.357 0.000 3.666) 4.358 3.582 ( -3.151 0.000 -1.891) 3.675 3.661 ( -0.362 0.000 -3.615) 3.634 3.688 ( -9.350 0.000 -3.392) 9.946 3.706 ( -1.029 0.000 -7.613) 7.682 4.026 ( -1.259 0.000 1.789) 2.187 4.135 ( 0.013 0.000 -4.020) 4.020 4.325 ( 1.586 0.000 1.343) 2.078 4.421 ( -0.692 0.000 -3.597) 3.663 5.042 ( 2.940 0.000 20.639) 20.847 5.123 ( 4.379 0.000 13.403) 14.100 5.273 ( -3.720 0.000 4.849) 6.111 5.399 ( 2.841 0.000 11.113) 11.471 5.757 ( 3.200 0.000 -3.013) 4.395 5.887 ( 1.429 0.000 -0.040) 1.430 5.896 ( 1.638 0.000 0.639) 1.758 6.071 ( 1.450 0.000 -15.608) 15.675 6.626 ( 0.842 0.000 4.659) 4.735 6.678 ( 0.981 0.000 -3.332) 3.474 6.732 ( -1.016 0.000 0.547) 1.154 6.860 ( -2.155 0.000 -9.548) 9.788 7.173 ( -2.612 0.000 -5.314) 5.921 7.203 ( -2.784 0.000 -5.366) 6.045 7.450 ( -18.746 0.000 -3.243) 19.024 7.593 ( -14.882 0.000 -13.123) 19.841 8.192 ( 12.156 0.000 -3.538) 12.660 8.254 ( 14.410 0.000 -6.589) 15.844 8.430 ( 0.318 0.000 1.883) 1.909 8.481 ( 1.225 0.000 -0.084) 1.228 8.770 ( -1.071 0.000 1.071) 1.515 8.899 ( -0.614 0.000 2.113) 2.200 9.273 ( 2.243 0.000 5.456) 5.899 9.274 ( 12.878 0.000 -1.149) 12.930 9.286 ( 2.325 0.000 5.905) 6.346 9.643 ( 10.309 0.000 -13.347) 16.865 9.852 ( -1.952 0.000 0.595) 2.041 10.002 ( -4.346 0.000 -3.855) 5.809 10.263 ( 4.286 0.000 8.801) 9.789 10.298 ( -8.404 0.000 6.517) 10.635 10.479 ( -8.110 0.000 -0.284) 8.115 10.511 ( -2.008 0.000 1.661) 2.607 10.674 ( 4.215 0.000 -8.672) 9.642 10.948 ( -2.813 0.000 -12.538) 12.850 10.976 ( -7.456 0.000 -4.241) 8.578 11.149 ( -6.319 0.000 -12.637) 14.128 11.489 ( -4.377 0.000 -0.839) 4.457 11.515 ( 5.919 0.000 -1.435) 6.091 11.932 ( 3.197 0.000 3.014) 4.394 12.061 ( 0.973 0.000 9.430) 9.480 12.122 ( 7.376 0.000 -4.708) 8.751 12.279 ( -5.735 0.000 1.934) 6.053 12.493 ( 4.665 0.000 -2.645) 5.363 12.634 ( -0.260 0.000 -5.042) 5.049 12.882 ( 0.759 0.000 8.260) 8.295 13.137 ( -3.861 0.000 -3.039) 4.913 13.658 ( 1.244 0.000 4.517) 4.685 13.722 ( 5.428 0.000 3.478) 6.447 13.765 ( -1.267 0.000 -0.461) 1.348 13.828 ( 3.048 0.000 -1.540) 3.415 14.622 ( 0.181 0.000 1.676) 1.685 14.790 ( -4.138 0.000 -6.875) 8.024 15.124 ( 1.916 0.000 2.937) 3.506 15.319 ( -1.591 0.000 -6.264) 6.463 16.230 ( 1.777 0.000 10.121) 10.276 16.576 ( -6.350 0.000 -5.709) 8.539 22.229 ( 0.791 0.000 4.769) 4.834 22.327 ( -2.036 0.000 4.785) 5.201 22.482 ( 2.265 0.000 -5.226) 5.696 22.599 ( -1.022 0.000 -6.071) 6.157 23.239 ( 3.815 0.000 3.202) 4.981 23.369 ( 5.521 0.000 -2.764) 6.174 23.599 ( -0.693 0.000 4.634) 4.685 23.754 ( -1.066 0.000 -1.559) 1.889 23.961 ( -0.180 0.000 2.078) 2.086 23.989 ( -0.059 0.000 0.320) 0.325 24.072 ( -1.045 0.000 1.526) 1.849 24.233 ( -4.310 0.000 -4.547) 6.265 24.808 ( -0.175 0.000 6.306) 6.309 24.930 ( -4.539 0.000 -0.765) 4.603 25.526 ( 5.573 0.000 6.477) 8.545 25.790 ( -1.890 0.000 -6.070) 6.357 ======================= Grid point 182 (63/90) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 7.418 0.000 13.988) 15.833 2.772 ( -5.278 0.000 8.377) 9.901 3.243 ( 12.022 0.000 18.297) 21.893 3.447 ( 3.244 0.000 -0.565) 3.292 3.480 ( -11.985 0.000 8.458) 14.669 3.513 ( -3.673 0.000 -2.760) 4.594 3.660 ( 0.481 0.000 -3.522) 3.555 3.680 ( -1.445 0.000 -4.747) 4.962 4.021 ( 1.451 0.000 -3.760) 4.030 4.084 ( -4.276 0.000 -6.057) 7.414 4.363 ( 2.113 0.000 -0.017) 2.113 4.400 ( -1.581 0.000 -1.873) 2.451 5.078 ( 2.590 0.000 8.441) 8.829 5.145 ( -3.959 0.000 5.487) 6.766 5.333 ( 8.745 0.000 19.926) 21.761 5.432 ( -0.926 0.000 16.229) 16.256 5.865 ( 7.865 0.000 -3.656) 8.673 5.917 ( 1.304 0.000 0.732) 1.495 5.923 ( 0.731 0.000 0.969) 1.214 6.023 ( -6.760 0.000 -9.824) 11.925 6.651 ( 1.860 0.000 3.607) 4.058 6.695 ( -2.515 0.000 3.316) 4.162 6.716 ( 3.190 0.000 -6.611) 7.340 6.795 ( -4.395 0.000 -9.474) 10.444 7.134 ( -0.719 0.000 -4.175) 4.236 7.150 ( -2.183 0.000 -4.634) 5.122 7.237 ( -2.547 0.000 -9.862) 10.185 7.331 ( -10.922 0.000 -14.679) 18.297 8.335 ( 5.513 0.000 1.366) 5.680 8.423 ( -0.850 0.000 0.546) 1.010 8.454 ( 1.784 0.000 2.365) 2.963 8.483 ( -0.960 0.000 1.284) 1.603 8.778 ( 8.570 0.000 -2.996) 9.079 8.938 ( -3.060 0.000 -6.962) 7.605 9.318 ( 1.888 0.000 6.149) 6.433 9.327 ( 1.180 0.000 5.653) 5.774 9.576 ( 17.127 0.000 1.459) 17.189 9.782 ( -0.051 0.000 -5.257) 5.257 9.839 ( 1.260 0.000 -2.369) 2.683 9.904 ( -5.019 0.000 -4.353) 6.644 10.154 ( -2.662 0.000 -2.060) 3.367 10.270 ( -11.695 0.000 -4.671) 12.593 10.360 ( 5.313 0.000 6.940) 8.740 10.452 ( -4.031 0.000 4.158) 5.791 10.771 ( 5.488 0.000 -9.300) 10.799 10.873 ( -4.852 0.000 -10.757) 11.800 10.892 ( -0.323 0.000 -4.901) 4.911 10.976 ( -8.540 0.000 -8.541) 12.078 11.496 ( 3.867 0.000 0.130) 3.869 11.565 ( -1.711 0.000 -2.960) 3.419 12.045 ( 7.733 0.000 4.230) 8.814 12.098 ( 2.957 0.000 6.982) 7.582 12.165 ( -3.077 0.000 -0.674) 3.150 12.174 ( -4.910 0.000 4.057) 6.369 12.571 ( 3.330 0.000 -3.453) 4.797 12.618 ( -1.583 0.000 -4.481) 4.753 12.937 ( 4.899 0.000 3.156) 5.827 13.044 ( -5.581 0.000 -1.258) 5.721 13.691 ( 2.047 0.000 2.928) 3.573 13.732 ( -2.058 0.000 1.018) 2.296 13.831 ( 4.703 0.000 1.924) 5.082 13.872 ( 0.572 0.000 0.009) 0.572 14.637 ( 1.770 0.000 -1.934) 2.622 14.699 ( -4.546 0.000 -5.080) 6.817 15.183 ( 4.061 0.000 1.609) 4.368 15.265 ( -3.943 0.000 -2.257) 4.543 16.296 ( 5.310 0.000 5.359) 7.544 16.429 ( -8.040 0.000 -0.567) 8.060 22.252 ( 1.511 0.000 4.569) 4.813 22.286 ( -2.045 0.000 4.408) 4.859 22.529 ( 2.416 0.000 -5.115) 5.657 22.571 ( -1.884 0.000 -5.606) 5.914 23.338 ( 5.879 0.000 4.010) 7.116 23.427 ( -1.804 0.000 1.980) 2.678 23.627 ( 4.616 0.000 -0.946) 4.712 23.715 ( -3.302 0.000 -2.246) 3.994 23.966 ( 0.838 0.000 1.211) 1.472 23.984 ( -0.653 0.000 0.242) 0.697 24.065 ( 0.946 0.000 -0.375) 1.017 24.129 ( -5.482 0.000 -3.247) 6.372 24.813 ( 0.937 0.000 5.173) 5.257 24.851 ( -3.165 0.000 3.047) 4.393 25.640 ( 5.714 0.000 1.791) 5.988 25.734 ( -3.953 0.000 -2.546) 4.702 ======================= Grid point 185 (64/90) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 0.000 22.976 16.961) 28.558 2.966 ( 0.000 6.653 19.109) 20.234 3.120 ( 0.000 15.748 8.858) 18.068 3.469 ( 0.000 8.762 4.931) 10.054 3.679 ( 0.000 5.036 -1.774) 5.340 3.720 ( 0.000 0.919 -4.731) 4.820 3.824 ( 0.000 12.842 -4.203) 13.513 3.906 ( 0.000 9.023 -7.989) 12.051 4.044 ( 0.000 1.347 3.157) 3.433 4.159 ( 0.000 5.204 -4.409) 6.820 4.431 ( 0.000 9.985 5.304) 11.307 4.597 ( 0.000 14.993 -3.573) 15.413 4.935 ( 0.000 -3.222 24.688) 24.897 5.112 ( 0.000 -0.282 10.286) 10.289 5.294 ( 0.000 -0.043 5.804) 5.804 5.330 ( 0.000 -4.678 7.189) 8.577 5.676 ( 0.000 -3.106 -3.711) 4.839 5.811 ( 0.000 -5.418 -1.442) 5.606 5.961 ( 0.000 6.077 -2.745) 6.668 6.059 ( 0.000 1.137 -10.796) 10.856 6.478 ( 0.000 -9.272 4.480) 10.297 6.656 ( 0.000 -7.173 -3.360) 7.921 6.776 ( 0.000 5.808 -2.268) 6.235 6.930 ( 0.000 3.544 -7.354) 8.163 7.233 ( 0.000 2.236 -5.655) 6.081 7.262 ( 0.000 1.742 -5.828) 6.083 7.723 ( 0.000 -7.112 -8.203) 10.857 7.776 ( 0.000 -7.634 -11.001) 13.390 7.922 ( 0.000 3.374 -2.386) 4.133 8.022 ( 0.000 5.014 -4.449) 6.704 8.466 ( 0.000 0.943 2.296) 2.482 8.540 ( 0.000 7.324 -1.398) 7.456 8.711 ( 0.000 -2.486 4.616) 5.242 9.018 ( 0.000 0.892 6.737) 6.796 9.089 ( 0.000 -1.449 -8.594) 8.715 9.249 ( 0.000 -0.119 4.006) 4.007 9.306 ( 0.000 3.628 6.202) 7.185 9.494 ( 0.000 -1.572 -13.247) 13.340 9.836 ( 0.000 -4.216 1.132) 4.365 10.007 ( 0.000 -4.739 -2.238) 5.241 10.189 ( 0.000 -1.961 6.294) 6.593 10.261 ( 0.000 -8.202 6.542) 10.492 10.555 ( 0.000 -3.176 -3.657) 4.844 10.570 ( 0.000 -3.964 -7.090) 8.123 10.610 ( 0.000 4.027 1.738) 4.386 10.876 ( 0.000 -7.542 -9.613) 12.218 11.112 ( 0.000 1.212 -2.632) 2.897 11.235 ( 0.000 3.963 -10.021) 10.776 11.357 ( 0.000 -2.166 0.595) 2.246 11.564 ( 0.000 -4.708 -7.986) 9.271 11.929 ( 0.000 1.782 0.549) 1.865 11.980 ( 0.000 -1.488 -2.737) 3.115 12.142 ( 0.000 4.584 8.755) 9.883 12.372 ( 0.000 3.701 6.272) 7.283 12.410 ( 0.000 -0.906 -3.460) 3.577 12.667 ( 0.000 4.084 -6.182) 7.409 12.944 ( 0.000 4.621 9.789) 10.825 13.210 ( 0.000 2.642 -1.289) 2.940 13.649 ( 0.000 -0.544 2.485) 2.543 13.705 ( 0.000 4.531 3.555) 5.759 13.722 ( 0.000 -3.209 -1.343) 3.479 13.826 ( 0.000 1.435 -1.350) 1.970 14.583 ( 0.000 -3.659 2.998) 4.730 14.791 ( 0.000 -4.100 -7.702) 8.726 15.118 ( 0.000 1.375 2.892) 3.202 15.332 ( 0.000 0.009 -7.020) 7.020 16.133 ( 0.000 -7.461 10.295) 12.715 16.477 ( 0.000 -14.611 -5.000) 15.443 22.336 ( 0.000 8.867 4.419) 9.907 22.431 ( 0.000 8.463 3.565) 9.183 22.540 ( 0.000 7.608 -5.322) 9.285 22.640 ( 0.000 2.915 -5.541) 6.261 23.195 ( 0.000 -0.817 2.760) 2.878 23.316 ( 0.000 0.774 -3.106) 3.201 23.597 ( 0.000 -0.993 4.972) 5.070 23.766 ( 0.000 0.205 -1.804) 1.816 23.966 ( 0.000 0.205 2.175) 2.185 23.991 ( 0.000 0.131 0.670) 0.683 24.094 ( 0.000 0.824 2.088) 2.244 24.272 ( 0.000 -0.364 -4.718) 4.732 24.818 ( 0.000 0.775 6.202) 6.251 24.961 ( 0.000 -2.085 -2.775) 3.471 25.421 ( 0.000 -3.893 9.411) 10.185 25.738 ( 0.000 -6.351 -6.202) 8.877 ======================= Grid point 186 (65/90) ======================= q-point: ( 0.20 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( 3.814 21.457 16.048) 27.065 2.988 ( 1.093 9.989 11.859) 15.543 3.130 ( 2.242 10.807 14.804) 18.466 3.513 ( 4.166 10.302 3.460) 11.639 3.587 ( -6.845 1.206 -0.718) 6.988 3.758 ( 1.452 5.418 -3.453) 6.586 3.817 ( -0.645 12.790 -3.943) 13.400 3.849 ( -5.058 12.641 -5.964) 14.864 4.006 ( -2.199 -0.963 2.379) 3.379 4.157 ( -2.278 2.807 -5.527) 6.604 4.461 ( 2.611 11.304 3.743) 12.190 4.590 ( -0.821 15.013 -2.670) 15.270 4.983 ( 3.352 -4.981 19.859) 20.747 5.120 ( 3.119 0.217 11.799) 12.206 5.257 ( -4.227 -1.520 3.557) 5.730 5.355 ( 3.610 -3.592 9.431) 10.718 5.680 ( 0.382 -3.729 0.194) 3.754 5.798 ( -1.890 -7.266 -1.689) 7.696 5.998 ( 4.018 6.694 -2.114) 8.088 6.128 ( 5.307 3.247 -10.370) 12.093 6.486 ( 0.998 -9.141 2.859) 9.630 6.657 ( -0.021 -6.729 -2.465) 7.166 6.725 ( -4.517 0.983 -2.628) 5.317 6.862 ( -6.417 -0.595 -7.890) 10.187 7.222 ( -0.470 4.104 -4.335) 5.987 7.269 ( 0.157 5.782 -5.542) 8.010 7.493 ( -14.381 3.471 -4.081) 15.347 7.601 ( -10.418 0.716 -12.523) 16.305 8.133 ( 11.449 -3.880 -3.356) 12.546 8.220 ( 13.481 -0.128 -5.757) 14.659 8.450 ( -1.919 0.381 3.396) 3.919 8.568 ( 2.247 6.353 -1.361) 6.874 8.776 ( 4.507 0.250 0.070) 4.514 8.867 ( -6.243 -2.167 1.944) 6.888 9.175 ( 4.120 -4.090 2.143) 6.188 9.283 ( 3.086 -0.010 4.192) 5.205 9.380 ( 7.806 4.549 2.726) 9.437 9.609 ( 8.574 -2.605 -11.444) 14.535 9.819 ( -1.035 -3.657 -0.579) 3.845 9.967 ( -3.787 -4.107 -3.831) 6.773 10.175 ( -6.870 -7.533 4.729) 11.239 10.239 ( 3.461 -3.052 7.709) 8.985 10.477 ( -7.744 -2.920 -4.470) 9.406 10.553 ( -2.841 1.023 1.932) 3.584 10.631 ( 3.300 -1.832 -7.708) 8.582 10.870 ( -1.547 -5.917 -9.451) 11.257 11.009 ( -6.305 2.930 -2.963) 7.558 11.184 ( -6.782 3.051 -11.355) 13.573 11.448 ( 3.710 -3.701 -1.526) 5.458 11.480 ( -0.821 -2.254 -1.611) 2.890 11.907 ( -1.231 -1.319 2.632) 3.191 12.050 ( 0.768 -5.530 -2.181) 5.994 12.178 ( 4.885 6.692 7.230) 10.996 12.356 ( 0.864 6.710 2.583) 7.242 12.465 ( 3.498 -1.369 -1.507) 4.047 12.637 ( -2.958 2.328 -4.489) 5.858 12.966 ( 2.500 6.198 7.565) 10.094 13.186 ( -2.424 3.874 -1.173) 4.718 13.679 ( 0.459 1.392 0.828) 1.683 13.688 ( 1.702 -2.819 2.501) 4.135 13.774 ( 3.195 1.225 1.148) 3.609 13.841 ( 1.757 1.049 -0.858) 2.219 14.584 ( 0.174 -3.649 1.483) 3.943 14.750 ( -3.863 -3.799 -7.082) 8.917 15.134 ( 1.709 1.148 2.836) 3.504 15.317 ( -1.720 -0.145 -5.598) 5.858 16.144 ( 1.388 -7.744 8.855) 11.845 16.423 ( -5.147 -13.535 -3.414) 14.877 22.340 ( 0.453 8.798 4.447) 9.869 22.414 ( -1.563 8.547 3.599) 9.405 22.558 ( 1.551 6.958 -5.068) 8.746 22.637 ( -0.430 3.626 -5.638) 6.717 23.230 ( 3.743 -0.965 3.435) 5.171 23.382 ( 5.787 0.990 -3.630) 6.903 23.581 ( -1.414 -1.646 4.599) 5.085 23.754 ( -1.274 0.036 -2.021) 2.389 23.965 ( -0.003 0.379 2.041) 2.075 23.993 ( 0.129 0.284 0.454) 0.551 24.078 ( -1.305 0.587 1.437) 2.028 24.227 ( -4.458 -0.533 -4.726) 6.518 24.815 ( -0.156 0.809 5.928) 5.985 24.915 ( -3.777 -1.230 0.032) 3.973 25.479 ( 5.175 -4.345 6.522) 9.392 25.723 ( -1.673 -6.170 -4.931) 8.073 ======================= Grid point 187 (66/90) ======================= q-point: ( 0.40 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( 5.761 18.719 12.793) 23.393 2.959 ( -3.972 16.152 8.488) 18.674 3.244 ( 8.982 2.371 15.521) 18.088 3.430 ( -9.432 0.430 7.086) 11.805 3.610 ( 5.578 12.291 0.353) 13.502 3.720 ( -5.651 11.534 -3.043) 13.200 3.794 ( 0.507 12.287 -2.230) 12.498 3.806 ( -0.554 12.876 -3.528) 13.362 3.991 ( 1.360 -2.406 -3.400) 4.382 4.067 ( -5.742 -0.888 -6.245) 8.530 4.514 ( 2.800 13.239 1.806) 13.652 4.562 ( -2.056 14.523 -0.477) 14.676 5.039 ( 3.393 -3.876 9.815) 11.085 5.119 ( -4.534 -2.468 6.150) 8.029 5.312 ( 9.039 -1.495 16.184) 18.597 5.411 ( 0.279 -2.018 15.211) 15.347 5.681 ( 0.290 -7.848 -0.907) 7.906 5.730 ( -4.455 -10.770 -3.741) 12.241 6.106 ( 6.290 8.385 -1.692) 10.618 6.186 ( -0.667 7.742 -5.507) 9.525 6.528 ( 3.717 -8.175 0.089) 8.980 6.619 ( -4.859 -4.713 1.336) 6.900 6.674 ( 0.833 -6.646 -6.123) 9.075 6.733 ( -5.557 -4.664 -7.005) 10.085 7.225 ( 1.041 7.036 -4.608) 8.475 7.258 ( -1.639 9.153 -4.170) 10.191 7.328 ( -1.820 6.940 -8.762) 11.325 7.403 ( -8.722 6.246 -12.756) 16.667 8.295 ( 6.345 -2.664 1.049) 6.961 8.396 ( -3.723 -1.133 4.320) 5.814 8.451 ( 8.360 0.431 -2.767) 8.817 8.566 ( -4.037 5.011 -1.761) 6.671 8.770 ( 5.616 -0.339 -0.835) 5.688 8.895 ( -2.439 -3.461 -5.423) 6.880 9.277 ( 6.430 -3.451 7.268) 10.299 9.336 ( 0.996 0.687 5.461) 5.593 9.563 ( 9.976 -0.649 -0.068) 9.997 9.702 ( -1.592 -5.388 -6.181) 8.353 9.815 ( 1.349 -3.961 -1.870) 4.583 9.893 ( -4.322 -3.183 -1.361) 5.537 10.065 ( 0.780 -6.243 -3.479) 7.190 10.220 ( -10.520 -3.004 -3.334) 11.437 10.391 ( 4.272 -0.564 2.260) 4.866 10.486 ( -4.131 1.948 3.447) 5.722 10.707 ( 4.145 -4.104 -8.798) 10.556 10.794 ( -5.129 -4.077 -7.965) 10.314 10.954 ( 0.412 3.424 -6.570) 7.420 11.024 ( -7.178 3.560 -8.624) 11.771 11.481 ( 3.611 -1.647 -0.043) 3.969 11.534 ( -0.160 -2.962 -2.101) 3.635 11.908 ( 2.385 -5.820 4.795) 7.909 11.991 ( -5.085 -7.727 2.086) 9.482 12.294 ( 6.047 9.579 5.183) 12.458 12.373 ( -1.159 9.852 2.621) 10.260 12.523 ( 2.510 -2.583 -3.162) 4.793 12.572 ( -3.080 -1.282 -3.390) 4.756 13.037 ( 4.510 7.347 3.455) 9.288 13.123 ( -4.060 6.107 0.243) 7.337 13.688 ( 0.964 -0.604 1.201) 1.654 13.706 ( -0.504 -1.926 0.330) 2.018 13.844 ( 3.468 1.029 1.912) 4.092 13.874 ( 0.624 0.371 0.455) 0.857 14.600 ( 1.884 -3.495 -1.965) 4.430 14.663 ( -4.489 -3.455 -5.197) 7.687 15.186 ( 3.697 0.540 1.602) 4.065 15.263 ( -3.762 -0.092 -1.881) 4.207 16.197 ( 4.264 -8.900 4.985) 11.056 16.304 ( -6.506 -11.118 0.384) 12.888 22.355 ( 1.093 8.670 4.372) 9.771 22.381 ( -1.640 8.591 4.023) 9.627 22.591 ( 1.780 5.900 -5.163) 8.040 22.621 ( -1.244 4.829 -5.515) 7.435 23.330 ( 6.225 -0.801 4.266) 7.589 23.435 ( -2.999 0.536 2.547) 3.971 23.605 ( 5.522 -2.009 -2.406) 6.350 23.708 ( -3.900 -0.646 -3.142) 5.050 23.974 ( 1.023 0.751 1.132) 1.701 23.992 ( -0.437 0.721 0.256) 0.881 24.064 ( 0.533 -0.056 -0.139) 0.554 24.122 ( -5.365 -0.590 -3.101) 6.225 24.819 ( 0.756 0.708 5.106) 5.210 24.850 ( -2.578 0.071 3.377) 4.249 25.585 ( 5.315 -5.065 2.171) 7.656 25.672 ( -3.610 -5.699 -1.787) 6.979 ======================= Grid point 190 (67/90) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.136 ( 0.000 10.136 23.727) 25.801 3.285 ( 0.000 26.405 12.238) 29.103 3.523 ( 0.000 15.598 0.966) 15.627 3.643 ( 0.000 6.207 0.995) 6.287 3.767 ( 0.000 8.294 0.850) 8.337 3.857 ( 0.000 13.067 -4.017) 13.671 3.986 ( 0.000 0.932 9.848) 9.892 4.141 ( 0.000 14.774 -3.393) 15.158 4.235 ( 0.000 11.462 -7.421) 13.655 4.306 ( 0.000 7.506 -6.582) 9.983 4.604 ( 0.000 4.439 14.752) 15.406 4.944 ( 0.000 6.068 12.782) 14.149 4.952 ( 0.000 14.316 2.540) 14.540 5.109 ( 0.000 -3.127 5.789) 6.580 5.267 ( 0.000 5.510 2.220) 5.941 5.306 ( 0.000 1.307 7.539) 7.652 5.653 ( 0.000 1.829 -2.883) 3.414 5.677 ( 0.000 -6.907 1.938) 7.174 6.059 ( 0.000 -1.499 -7.419) 7.569 6.066 ( 0.000 2.484 -4.719) 5.332 6.256 ( 0.000 -11.021 6.138) 12.615 6.467 ( 0.000 -9.958 -4.067) 10.756 6.890 ( 0.000 5.020 -5.235) 7.253 6.993 ( 0.000 2.120 -7.016) 7.330 7.259 ( 0.000 -2.404 -6.431) 6.866 7.268 ( 0.000 1.003 -6.426) 6.504 7.574 ( 0.000 -6.429 -9.867) 11.777 7.599 ( 0.000 -8.197 -12.420) 14.881 8.081 ( 0.000 11.715 1.358) 11.794 8.193 ( 0.000 9.939 -3.026) 10.390 8.468 ( 0.000 0.118 6.435) 6.436 8.701 ( 0.000 7.618 -3.872) 8.546 8.708 ( 0.000 3.361 4.627) 5.719 9.026 ( 0.000 -0.564 1.334) 1.448 9.044 ( 0.000 -2.953 -7.519) 8.079 9.239 ( 0.000 -1.035 -0.035) 1.035 9.393 ( 0.000 4.556 4.949) 6.727 9.464 ( 0.000 -0.945 -8.668) 8.720 9.683 ( 0.000 -10.829 0.379) 10.836 9.824 ( 0.000 -12.272 -2.153) 12.459 10.080 ( 0.000 -8.079 5.110) 9.559 10.169 ( 0.000 -0.979 0.480) 1.090 10.369 ( 0.000 -10.781 -7.074) 12.894 10.454 ( 0.000 -10.639 -9.062) 13.976 10.680 ( 0.000 3.109 0.857) 3.225 10.753 ( 0.000 -2.107 -2.152) 3.012 11.153 ( 0.000 2.834 1.783) 3.348 11.329 ( 0.000 4.269 -8.368) 9.394 11.350 ( 0.000 1.412 -2.044) 2.484 11.452 ( 0.000 -5.156 -6.919) 8.629 11.901 ( 0.000 -5.701 -0.876) 5.768 11.903 ( 0.000 -6.479 -0.336) 6.488 12.230 ( 0.000 7.197 7.170) 10.159 12.408 ( 0.000 2.482 -0.862) 2.628 12.583 ( 0.000 12.909 6.063) 14.262 12.785 ( 0.000 5.303 -3.793) 6.520 13.026 ( 0.000 2.614 10.042) 10.377 13.266 ( 0.000 2.302 -0.602) 2.379 13.620 ( 0.000 -2.213 4.063) 4.626 13.663 ( 0.000 -2.125 -0.415) 2.165 13.842 ( 0.000 8.145 -2.077) 8.405 13.856 ( 0.000 1.906 -0.593) 1.996 14.469 ( 0.000 -7.064 2.419) 7.466 14.665 ( 0.000 -7.654 -7.982) 11.059 15.176 ( 0.000 4.233 1.929) 4.652 15.334 ( 0.000 0.307 -4.781) 4.791 15.928 ( 0.000 -11.270 6.373) 12.947 16.098 ( 0.000 -19.625 -0.067) 19.626 22.521 ( 0.000 9.004 5.782) 10.700 22.705 ( 0.000 15.348 -2.639) 15.573 22.723 ( 0.000 5.770 -2.958) 6.483 22.744 ( 0.000 9.558 -3.308) 10.114 23.162 ( 0.000 -2.410 3.020) 3.864 23.320 ( 0.000 -0.806 -4.809) 4.877 23.579 ( 0.000 -0.275 3.739) 3.749 23.768 ( 0.000 -0.189 -2.778) 2.784 23.972 ( 0.000 0.348 2.106) 2.134 23.994 ( 0.000 0.125 1.057) 1.064 24.120 ( 0.000 1.646 1.426) 2.177 24.260 ( 0.000 -0.758 -5.144) 5.199 24.849 ( 0.000 2.351 4.793) 5.338 24.911 ( 0.000 -2.224 0.315) 2.246 25.309 ( 0.000 -6.433 8.838) 10.931 25.561 ( 0.000 -9.945 -3.326) 10.487 ======================= Grid point 191 (68/90) ======================= q-point: ( 0.20 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( 2.627 9.419 21.163) 23.313 3.305 ( 1.992 25.516 11.272) 27.966 3.496 ( -2.481 16.053 3.004) 16.519 3.634 ( -3.297 6.706 -0.542) 7.492 3.772 ( 3.393 11.317 2.185) 12.015 3.896 ( 2.272 10.025 -2.555) 10.592 3.945 ( -3.523 -0.777 6.364) 7.315 4.133 ( -1.173 13.408 -3.778) 13.980 4.180 ( -3.581 12.934 -4.274) 14.084 4.282 ( -4.233 9.287 -7.283) 12.538 4.661 ( 6.094 2.898 13.304) 14.917 4.914 ( -0.558 5.681 9.631) 11.196 4.980 ( 0.110 15.597 3.901) 16.078 5.114 ( -0.520 -4.317 6.933) 8.184 5.240 ( -0.320 4.074 3.561) 5.420 5.305 ( 0.323 0.696 8.028) 8.064 5.633 ( -3.995 -7.042 -0.744) 8.130 5.653 ( -1.394 0.891 1.046) 1.957 6.082 ( 3.403 -0.697 -3.532) 4.954 6.163 ( 8.153 -0.037 -8.123) 11.509 6.299 ( 4.173 -7.456 3.925) 9.403 6.467 ( 0.162 -10.044 -3.758) 10.726 6.749 ( -11.008 1.896 -4.426) 12.016 6.842 ( -11.382 -0.575 -7.276) 13.521 7.273 ( 2.698 0.020 -5.033) 5.711 7.387 ( 5.910 4.060 -8.092) 10.812 7.559 ( -3.899 1.322 -7.814) 8.833 7.624 ( 1.643 1.584 -10.676) 10.917 8.126 ( 6.093 4.826 0.769) 7.811 8.279 ( 6.643 3.679 -5.612) 9.442 8.460 ( -0.194 3.236 5.822) 6.664 8.704 ( -0.144 5.556 -3.714) 6.685 8.739 ( 2.613 -2.541 3.028) 4.738 8.877 ( -7.016 3.024 -3.427) 8.373 9.104 ( 2.343 -2.749 3.117) 4.771 9.281 ( 3.884 -0.450 1.567) 4.212 9.462 ( 5.891 3.051 2.919) 7.248 9.556 ( 6.317 -2.241 -8.164) 10.563 9.686 ( -0.206 -8.910 -1.554) 9.047 9.801 ( -1.987 -11.390 -3.271) 12.016 10.006 ( -8.035 -8.015 2.708) 11.667 10.170 ( 3.228 -4.999 1.045) 6.042 10.307 ( -6.634 -9.524 -7.022) 13.566 10.483 ( 1.634 -8.366 -7.579) 11.406 10.661 ( -0.942 3.694 0.862) 3.908 10.781 ( 1.786 -1.414 -3.151) 3.889 11.085 ( -5.909 3.927 -1.312) 7.215 11.257 ( -7.765 3.161 -9.286) 12.511 11.384 ( 2.132 -1.887 -1.772) 3.354 11.424 ( 0.557 -2.425 -2.644) 3.631 11.848 ( -3.414 -5.232 1.659) 6.464 11.903 ( -2.253 -8.284 -0.274) 8.589 12.293 ( 5.813 6.350 5.330) 10.125 12.450 ( 3.858 2.746 -1.425) 4.945 12.587 ( 0.127 11.390 5.057) 12.463 12.736 ( -4.215 5.183 -1.424) 6.830 13.085 ( 5.161 4.501 7.763) 10.352 13.269 ( 0.083 3.651 0.079) 3.652 13.620 ( 0.278 -3.348 2.919) 4.450 13.676 ( 0.652 -1.792 -0.890) 2.104 13.844 ( 1.108 4.689 0.151) 4.820 13.883 ( 1.894 4.148 -1.310) 4.744 14.471 ( 0.404 -6.891 1.227) 7.011 14.631 ( -3.301 -7.366 -7.236) 10.841 15.184 ( 0.966 3.824 1.894) 4.376 15.317 ( -1.793 0.342 -3.618) 4.052 15.933 ( 0.616 -11.578 5.567) 12.861 16.071 ( -2.598 -18.343 0.386) 18.530 22.530 ( 0.990 9.302 5.590) 10.898 22.653 ( -3.039 10.930 0.277) 11.348 22.749 ( 0.829 10.212 -3.107) 10.706 22.766 ( 1.576 9.607 -5.436) 11.150 23.193 ( 3.574 -2.582 3.721) 5.769 23.390 ( 6.537 -0.882 -5.865) 8.827 23.546 ( -3.448 -1.015 3.912) 5.312 23.751 ( -1.877 -0.546 -3.299) 3.834 23.976 ( 0.491 0.654 1.908) 2.076 23.999 ( 0.534 0.294 0.819) 1.021 24.098 ( -1.947 1.281 1.088) 2.572 24.212 ( -4.739 -0.949 -4.815) 6.822 24.846 ( -0.191 2.126 4.933) 5.375 24.893 ( -1.490 -0.290 2.068) 2.565 25.354 ( 4.062 -7.295 6.627) 10.660 25.549 ( -1.288 -9.811 -2.423) 10.187 ======================= Grid point 192 (69/90) ======================= q-point: ( 0.40 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.250 ( 6.679 10.152 15.947) 20.049 3.341 ( -0.154 20.782 10.294) 23.192 3.449 ( -0.793 15.529 6.469) 16.842 3.524 ( -6.818 12.690 4.198) 15.005 3.864 ( 3.914 7.798 1.419) 8.840 3.904 ( 0.197 -3.128 -1.300) 3.393 3.925 ( 1.886 9.826 -2.009) 10.206 4.045 ( -7.581 5.750 -6.193) 11.353 4.153 ( 0.658 16.899 -1.788) 17.007 4.191 ( -3.435 15.223 -4.074) 16.128 4.813 ( 8.707 7.816 9.590) 15.128 4.926 ( 0.211 9.347 7.625) 12.065 4.951 ( -1.368 9.212 6.513) 11.365 5.034 ( -6.855 -5.977 6.075) 10.938 5.299 ( 5.419 0.086 9.336) 10.795 5.350 ( 2.191 -3.214 13.391) 13.944 5.541 ( -3.171 -5.146 -5.173) 7.956 5.584 ( -5.256 -1.538 -2.109) 5.868 6.198 ( 7.506 -0.470 -3.398) 8.253 6.282 ( 1.343 0.653 -4.876) 5.099 6.405 ( 6.345 -2.234 -1.618) 6.919 6.496 ( 4.096 -9.408 -3.668) 10.897 6.543 ( -9.234 -1.331 -1.378) 9.431 6.640 ( -9.397 -3.103 -5.566) 11.354 7.341 ( 4.698 3.722 -5.636) 8.228 7.451 ( -6.138 7.493 -5.364) 11.072 7.483 ( 4.487 7.259 -10.039) 13.176 7.583 ( -5.119 9.673 -10.409) 15.103 8.265 ( 6.743 0.312 1.452) 6.904 8.355 ( -1.424 -2.000 1.687) 2.979 8.517 ( 6.891 5.308 -3.707) 9.455 8.645 ( -5.807 1.008 -5.133) 7.816 8.771 ( 3.209 0.685 1.944) 3.815 8.838 ( -1.705 -0.593 -1.440) 2.309 9.214 ( 10.208 -1.433 7.298) 12.630 9.354 ( 0.923 1.089 4.996) 5.196 9.535 ( 0.293 -3.655 0.904) 3.776 9.582 ( -5.522 -6.510 -5.948) 10.404 9.675 ( 2.162 -7.987 -1.913) 8.493 9.746 ( -4.201 -8.655 -2.090) 9.845 9.942 ( 5.708 -5.369 -4.597) 9.085 10.131 ( -10.952 -5.708 -6.281) 13.855 10.299 ( 9.038 -6.970 -1.164) 11.472 10.453 ( -5.485 -6.750 -3.976) 9.563 10.684 ( 3.635 3.075 -1.901) 5.126 10.770 ( -3.771 1.951 -3.707) 5.636 11.012 ( 0.366 1.710 -5.876) 6.131 11.094 ( -7.357 2.331 -8.881) 11.766 11.428 ( 2.751 -2.787 0.060) 3.917 11.458 ( 0.590 -3.366 -0.559) 3.463 11.796 ( -0.736 -5.617 2.866) 6.349 11.835 ( -3.901 -7.324 1.529) 8.437 12.418 ( 6.413 4.325 2.881) 8.254 12.503 ( -0.768 2.143 -0.694) 2.380 12.590 ( 1.542 9.135 3.054) 9.755 12.652 ( -4.086 6.522 0.703) 7.728 13.189 ( 4.872 6.544 4.896) 9.515 13.255 ( -1.927 6.035 2.144) 6.688 13.636 ( 1.444 -3.788 0.946) 4.163 13.668 ( -1.439 -2.766 -0.891) 3.243 13.885 ( 2.381 3.330 0.874) 4.186 13.908 ( 0.247 3.475 -0.367) 3.503 14.493 ( 2.079 -6.615 -1.765) 7.155 14.554 ( -4.118 -6.808 -5.029) 9.412 15.216 ( 2.368 2.555 1.199) 3.685 15.270 ( -2.921 1.029 -0.950) 3.240 15.958 ( 2.085 -12.897 3.592) 13.550 16.011 ( -3.261 -15.487 1.640) 15.911 22.557 ( 1.810 9.916 4.773) 11.153 22.599 ( -2.496 10.434 3.010) 11.142 22.767 ( 0.911 9.993 -4.134) 10.853 22.779 ( -0.148 9.974 -5.264) 11.279 23.299 ( 7.014 -2.145 4.160) 8.432 23.436 ( -6.378 -0.593 3.692) 7.393 23.551 ( 7.987 -2.835 -6.317) 10.571 23.686 ( -5.245 -1.636 -5.223) 7.581 23.995 ( 1.489 1.204 0.989) 2.155 24.011 ( 0.362 1.000 0.362) 1.124 24.065 ( -0.719 0.250 0.342) 0.835 24.108 ( -4.944 -0.734 -2.457) 5.570 24.848 ( 0.513 2.184 4.895) 5.384 24.866 ( -1.237 1.807 4.030) 4.587 25.439 ( 4.334 -8.528 3.054) 10.042 25.509 ( -2.902 -9.363 -0.090) 9.803 ======================= Grid point 195 (70/90) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.384 ( 0.000 12.794 19.726) 23.511 3.590 ( 0.000 2.569 1.391) 2.922 3.626 ( 0.000 0.708 2.763) 2.852 3.825 ( 0.000 4.486 9.543) 10.545 4.026 ( 0.000 8.586 12.273) 14.978 4.142 ( 0.000 19.120 2.497) 19.282 4.193 ( 0.000 16.133 -3.223) 16.452 4.341 ( 0.000 2.721 -6.623) 7.160 4.362 ( 0.000 2.757 -0.555) 2.812 4.431 ( 0.000 4.042 1.615) 4.352 4.687 ( 0.000 2.800 2.587) 3.812 4.936 ( 0.000 -10.756 -2.756) 11.103 5.123 ( 0.000 9.051 12.193) 15.185 5.164 ( 0.000 8.596 6.874) 11.007 5.349 ( 0.000 3.068 11.153) 11.567 5.515 ( 0.000 -2.445 12.002) 12.249 5.613 ( 0.000 13.634 -3.155) 13.994 5.756 ( 0.000 6.373 -1.953) 6.665 5.967 ( 0.000 -6.391 -3.642) 7.356 6.015 ( 0.000 -6.560 -7.466) 9.939 6.089 ( 0.000 -3.771 1.695) 4.134 6.276 ( 0.000 -8.326 -3.419) 9.001 6.971 ( 0.000 1.698 -7.372) 7.565 7.004 ( 0.000 -1.213 -7.285) 7.386 7.213 ( 0.000 0.354 -7.464) 7.472 7.294 ( 0.000 1.588 -8.834) 8.976 7.457 ( 0.000 -5.269 -12.213) 13.301 7.459 ( 0.000 -4.528 -9.733) 10.735 8.363 ( 0.000 13.448 3.438) 13.881 8.380 ( 0.000 9.733 1.701) 9.881 8.537 ( 0.000 5.380 6.628) 8.536 8.841 ( 0.000 6.728 1.221) 6.838 8.844 ( 0.000 3.822 -7.275) 8.218 8.974 ( 0.000 -2.247 -2.420) 3.303 9.007 ( 0.000 0.720 -2.575) 2.674 9.162 ( 0.000 -8.197 -5.162) 9.687 9.390 ( 0.000 -11.603 -3.494) 12.118 9.474 ( 0.000 -1.740 3.393) 3.813 9.483 ( 0.000 0.631 -0.763) 0.991 9.538 ( 0.000 -9.709 -4.644) 10.763 9.935 ( 0.000 -4.725 0.237) 4.731 10.143 ( 0.000 -1.443 -0.617) 1.570 10.146 ( 0.000 -11.520 -6.645) 13.299 10.211 ( 0.000 -8.266 -3.316) 8.906 10.744 ( 0.000 2.619 -1.005) 2.805 10.760 ( 0.000 1.356 -2.407) 2.762 11.229 ( 0.000 4.179 -0.258) 4.187 11.364 ( 0.000 -2.710 -6.643) 7.175 11.405 ( 0.000 3.867 -0.466) 3.895 11.416 ( 0.000 4.087 -3.560) 5.420 11.723 ( 0.000 -9.733 0.970) 9.781 11.732 ( 0.000 -9.252 -1.146) 9.322 12.437 ( 0.000 11.315 5.432) 12.552 12.525 ( 0.000 7.829 1.168) 7.916 12.777 ( 0.000 2.427 3.035) 3.886 12.819 ( 0.000 -3.030 0.775) 3.128 13.087 ( 0.000 5.478 9.089) 10.612 13.299 ( 0.000 0.312 -1.102) 1.145 13.571 ( 0.000 -1.729 4.679) 4.988 13.627 ( 0.000 -1.846 0.406) 1.890 13.934 ( 0.000 6.031 1.412) 6.194 14.038 ( 0.000 10.364 -5.247) 11.617 14.298 ( 0.000 -8.908 2.404) 9.227 14.480 ( 0.000 -9.713 -7.819) 12.469 15.293 ( 0.000 6.677 0.046) 6.677 15.353 ( 0.000 1.875 -1.604) 2.468 15.690 ( 0.000 -10.827 2.082) 11.026 15.717 ( 0.000 -15.491 2.393) 15.674 22.714 ( 0.000 9.029 5.523) 10.584 22.843 ( 0.000 5.830 -1.391) 5.994 22.909 ( 0.000 4.156 2.262) 4.732 22.999 ( 0.000 10.675 -5.501) 12.009 23.096 ( 0.000 -2.867 2.914) 4.088 23.281 ( 0.000 -2.607 -6.237) 6.760 23.600 ( 0.000 2.407 -0.437) 2.447 23.746 ( 0.000 -2.158 -4.215) 4.735 23.980 ( 0.000 0.435 1.905) 1.954 23.994 ( 0.000 -0.100 1.402) 1.406 24.159 ( 0.000 2.000 0.202) 2.010 24.238 ( 0.000 -1.443 -4.484) 4.711 24.889 ( 0.000 0.550 3.936) 3.975 24.915 ( 0.000 3.377 3.277) 4.706 25.175 ( 0.000 -5.271 7.731) 9.357 25.345 ( 0.000 -10.037 -0.398) 10.045 ======================= Grid point 196 (71/90) ======================= q-point: ( 0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.371 ( 0.418 10.683 15.903) 19.163 3.595 ( -0.457 0.534 0.162) 0.721 3.685 ( 5.679 6.687 6.755) 11.072 3.838 ( 0.327 3.039 9.129) 9.628 3.988 ( -3.956 10.248 7.960) 13.566 4.092 ( -4.928 17.822 1.361) 18.541 4.181 ( -0.582 13.914 -1.826) 14.046 4.288 ( -5.278 2.708 -6.032) 8.461 4.383 ( 1.916 5.188 0.588) 5.562 4.442 ( 0.716 3.830 -0.783) 3.975 4.654 ( -0.905 -0.091 5.564) 5.638 4.920 ( -1.627 -11.333 -2.083) 11.637 5.094 ( -0.491 9.487 11.515) 14.927 5.238 ( 4.210 6.088 9.601) 12.123 5.291 ( -4.055 2.357 11.771) 12.671 5.421 ( -8.859 -1.840 12.281) 15.254 5.619 ( 0.139 11.833 -4.705) 12.735 5.737 ( -3.269 6.101 -3.443) 7.731 6.006 ( 5.569 -2.808 -3.415) 7.110 6.119 ( 8.572 -4.702 -8.627) 13.039 6.154 ( 6.426 -6.206 1.915) 9.137 6.280 ( 0.859 -8.185 -2.224) 8.526 6.800 ( -12.306 2.275 -6.051) 13.900 6.845 ( -11.626 0.142 -7.188) 13.669 7.274 ( 5.753 1.753 -7.477) 9.595 7.419 ( 7.220 -0.823 -12.590) 14.537 7.563 ( 8.522 0.205 -7.714) 11.497 7.631 ( 11.450 -1.627 -10.045) 15.318 8.279 ( -4.343 7.065 2.645) 8.704 8.390 ( 0.480 10.805 0.618) 10.833 8.583 ( 1.843 1.349 4.531) 5.074 8.666 ( -8.239 0.820 -3.731) 9.081 8.868 ( -1.199 8.170 -2.670) 8.678 8.940 ( -4.343 1.407 -2.249) 5.089 9.082 ( 7.128 2.228 1.758) 7.672 9.202 ( 3.270 -9.667 -0.701) 10.229 9.402 ( -0.772 -9.606 -0.883) 9.677 9.454 ( 1.315 -10.731 -1.091) 10.866 9.575 ( 3.713 0.200 -3.166) 4.883 9.621 ( 8.188 1.073 -3.922) 9.142 9.859 ( -7.040 -5.342 -0.329) 8.843 10.004 ( -4.503 -9.049 -5.328) 11.426 10.171 ( -1.744 -3.853 -1.349) 4.439 10.282 ( 2.970 -9.022 -4.916) 10.695 10.741 ( 0.377 3.454 -0.599) 3.526 10.787 ( 2.563 0.922 -2.383) 3.619 11.165 ( -7.059 3.545 -2.600) 8.316 11.279 ( -8.281 -1.460 -8.202) 11.746 11.391 ( -0.043 3.411 0.653) 3.474 11.421 ( 0.662 2.621 -1.802) 3.249 11.692 ( -2.436 -8.836 1.740) 9.329 11.717 ( -1.704 -9.156 -0.425) 9.323 12.471 ( 3.257 10.012 4.805) 11.574 12.559 ( 2.793 6.856 0.604) 7.428 12.753 ( -2.151 2.231 3.264) 4.501 12.791 ( -2.247 -0.838 1.361) 2.758 13.168 ( 7.141 4.726 7.541) 11.410 13.329 ( 2.651 1.414 -0.357) 3.025 13.558 ( -1.086 -2.119 4.148) 4.783 13.623 ( -0.851 -2.949 -0.045) 3.069 13.946 ( 1.439 6.279 1.493) 6.613 14.039 ( -0.113 9.337 -4.319) 10.288 14.305 ( 0.724 -8.751 1.550) 8.916 14.452 ( -2.710 -9.366 -6.802) 11.889 15.294 ( 0.195 6.525 0.152) 6.529 15.343 ( -1.010 2.515 -1.014) 2.894 15.688 ( -0.114 -11.163 1.858) 11.317 15.711 ( -0.563 -14.922 2.055) 15.073 22.727 ( 1.266 9.087 5.425) 10.659 22.827 ( -1.431 7.026 0.399) 7.182 22.918 ( 0.919 4.208 1.755) 4.651 22.996 ( -0.803 7.636 -4.375) 8.837 23.138 ( 4.805 -0.505 1.736) 5.134 23.341 ( 5.703 -3.358 -7.135) 9.732 23.558 ( -4.349 2.262 -0.436) 4.921 23.720 ( -2.885 -2.713 -4.926) 6.320 23.990 ( 0.989 0.621 1.677) 2.044 24.003 ( 0.903 0.043 1.203) 1.504 24.129 ( -2.736 1.541 0.285) 3.154 24.188 ( -4.583 -1.261 -3.655) 5.996 24.891 ( 0.787 2.552 4.901) 5.581 24.937 ( 1.138 4.067 2.808) 5.072 25.194 ( 1.995 -7.086 6.644) 9.917 25.334 ( -1.206 -10.154 0.120) 10.226 ======================= Grid point 197 (72/90) ======================= q-point: ( 0.40 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.439 ( 6.599 9.065 11.674) 16.187 3.571 ( -4.276 6.244 5.764) 9.513 3.759 ( 2.098 4.687 4.251) 6.667 3.815 ( -1.868 -3.076 2.125) 4.179 3.930 ( -0.407 17.055 3.864) 17.492 3.981 ( -5.760 12.602 1.834) 13.977 4.175 ( -0.207 10.428 0.535) 10.444 4.192 ( -2.696 6.344 -1.253) 7.006 4.422 ( 1.837 7.916 -0.407) 8.136 4.444 ( -0.472 7.102 -2.012) 7.397 4.716 ( 6.712 -6.783 6.410) 11.496 4.853 ( -5.999 -10.596 1.938) 12.330 5.113 ( 2.947 7.542 12.844) 15.183 5.225 ( -8.065 4.427 12.560) 15.569 5.256 ( 1.284 -2.482 11.026) 11.375 5.296 ( -0.924 -2.275 11.098) 11.367 5.618 ( 0.376 10.693 -6.315) 12.424 5.657 ( -3.700 10.733 -6.948) 13.310 6.130 ( 5.571 -6.330 -2.864) 8.905 6.199 ( -1.142 -9.037 -4.338) 10.089 6.335 ( 11.086 -2.721 -0.351) 11.420 6.389 ( 10.978 -0.606 -4.911) 12.042 6.565 ( -11.900 2.418 -2.969) 12.501 6.621 ( -11.751 0.507 -5.923) 13.169 7.421 ( 9.191 4.771 -7.350) 12.699 7.564 ( 3.485 2.971 -12.507) 13.319 7.604 ( -0.250 4.497 -6.935) 8.269 7.726 ( -3.149 2.679 -11.748) 12.454 8.296 ( 5.572 2.565 1.673) 6.359 8.390 ( -1.901 6.371 0.785) 6.694 8.564 ( 0.942 -6.232 -3.160) 7.050 8.611 ( -1.726 0.869 -1.975) 2.763 8.842 ( -0.177 5.616 0.557) 5.646 8.873 ( -2.877 3.897 1.729) 5.144 9.233 ( 8.415 -0.799 3.953) 9.332 9.283 ( 5.275 -10.212 -1.246) 11.561 9.354 ( -3.009 -10.280 2.989) 11.121 9.475 ( -7.162 1.645 1.192) 7.444 9.546 ( 1.585 -3.821 -5.490) 6.874 9.660 ( -6.694 -0.769 -5.150) 8.481 9.855 ( 9.993 -1.997 -2.672) 10.535 10.021 ( -2.088 -4.191 -7.394) 8.752 10.129 ( 3.205 -8.028 -0.523) 8.660 10.261 ( -5.346 -9.967 -4.891) 12.322 10.781 ( 4.072 5.092 -1.292) 6.647 10.842 ( 1.110 3.749 -3.304) 5.119 11.020 ( -4.047 -0.506 -4.392) 5.993 11.098 ( -8.980 -1.976 -7.796) 12.054 11.411 ( 1.516 2.043 0.954) 2.717 11.430 ( -0.177 1.313 -0.120) 1.330 11.658 ( -0.509 -7.384 1.533) 7.558 11.676 ( -2.049 -7.801 0.459) 8.079 12.545 ( 3.879 7.432 3.230) 8.984 12.593 ( -0.293 5.771 0.786) 5.831 12.720 ( -0.285 2.533 3.342) 4.203 12.746 ( -2.231 1.374 1.944) 3.262 13.308 ( 6.162 4.993 5.261) 9.517 13.368 ( 0.247 4.503 2.013) 4.939 13.546 ( 0.495 -4.432 2.246) 4.993 13.585 ( -2.842 -4.511 -0.113) 5.333 13.987 ( 2.499 6.446 0.445) 6.927 14.027 ( -1.331 7.413 -2.006) 7.795 14.331 ( 2.167 -8.491 -0.860) 8.805 14.388 ( -3.558 -8.705 -4.111) 10.263 15.302 ( 0.668 5.744 0.294) 5.790 15.320 ( -1.165 4.139 -0.052) 4.300 15.689 ( 0.243 -12.162 1.481) 12.254 15.698 ( -0.659 -13.589 1.526) 13.690 22.758 ( 1.854 9.002 4.720) 10.332 22.795 ( -1.867 8.380 2.994) 9.093 22.942 ( 1.421 4.544 0.391) 4.777 22.971 ( -1.535 5.254 -1.608) 5.705 23.270 ( 8.321 1.192 -0.119) 8.406 23.429 ( -6.542 0.959 -1.209) 6.721 23.487 ( 6.728 -3.398 -7.153) 10.391 23.630 ( -6.496 -3.916 -6.820) 10.200 24.019 ( 2.024 0.953 0.907) 2.414 24.028 ( 1.584 0.545 0.676) 1.806 24.075 ( -2.393 0.591 0.456) 2.507 24.095 ( -4.269 -0.467 -1.241) 4.470 24.917 ( 1.571 4.630 4.875) 6.904 24.941 ( -0.696 5.355 3.819) 6.614 25.245 ( 3.020 -9.458 4.013) 10.708 25.299 ( -2.410 -10.210 1.627) 10.616 ======================= Grid point 200 (73/90) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.586 ( 0.000 -2.931 0.854) 3.053 3.586 ( 0.000 2.931 0.854) 3.053 3.702 ( 0.000 -9.240 18.594) 20.764 3.702 ( 0.000 9.240 18.594) 20.764 4.260 ( 0.000 -8.102 5.611) 9.855 4.260 ( 0.000 8.102 5.611) 9.855 4.397 ( 0.000 -0.333 -2.934) 2.953 4.397 ( 0.000 0.333 -2.934) 2.953 4.451 ( 0.000 -2.773 0.709) 2.862 4.451 ( 0.000 2.773 0.709) 2.862 4.726 ( 0.000 -5.779 -4.385) 7.255 4.726 ( 0.000 5.779 -4.385) 7.255 5.257 ( 0.000 -1.993 9.175) 9.389 5.257 ( 0.000 1.993 9.175) 9.389 5.433 ( 0.000 -3.643 12.879) 13.385 5.433 ( 0.000 3.643 12.879) 13.385 5.780 ( 0.000 -2.852 1.833) 3.390 5.780 ( 0.000 2.852 1.833) 3.390 5.956 ( 0.000 -0.123 -5.016) 5.017 5.956 ( 0.000 0.123 -5.016) 5.017 6.091 ( 0.000 -7.309 -4.977) 8.842 6.091 ( 0.000 7.309 -4.977) 8.842 6.975 ( 0.000 -0.457 -7.989) 8.002 6.975 ( 0.000 0.457 -7.989) 8.002 7.287 ( 0.000 -4.022 -10.630) 11.365 7.287 ( 0.000 4.022 -10.630) 11.365 7.392 ( 0.000 -0.855 -8.121) 8.166 7.392 ( 0.000 0.855 -8.121) 8.166 8.573 ( 0.000 -4.452 6.077) 7.533 8.573 ( 0.000 4.452 6.077) 7.533 8.684 ( 0.000 -16.998 -3.120) 17.282 8.684 ( 0.000 16.998 -3.120) 17.282 8.896 ( 0.000 -3.239 -1.655) 3.637 8.896 ( 0.000 3.239 -1.655) 3.637 9.114 ( 0.000 -1.677 0.099) 1.680 9.114 ( 0.000 1.677 0.099) 1.680 9.248 ( 0.000 -4.052 -9.327) 10.169 9.248 ( 0.000 4.052 -9.327) 10.169 9.527 ( 0.000 -1.506 1.345) 2.019 9.527 ( 0.000 1.506 1.345) 2.019 9.939 ( 0.000 -5.933 -4.348) 7.356 9.939 ( 0.000 5.933 -4.348) 7.356 10.128 ( 0.000 -0.792 -0.575) 0.979 10.128 ( 0.000 0.792 -0.575) 0.979 10.776 ( 0.000 -0.286 -2.400) 2.417 10.776 ( 0.000 0.286 -2.400) 2.417 11.308 ( 0.000 -3.026 -3.926) 4.957 11.308 ( 0.000 3.026 -3.926) 4.957 11.519 ( 0.000 -3.405 3.282) 4.729 11.519 ( 0.000 3.405 3.282) 4.729 11.553 ( 0.000 -3.389 -3.865) 5.140 11.553 ( 0.000 3.389 -3.865) 5.140 12.670 ( 0.000 -10.003 3.752) 10.683 12.670 ( 0.000 10.003 3.752) 10.683 12.697 ( 0.000 -7.461 2.444) 7.851 12.697 ( 0.000 7.461 2.444) 7.851 13.238 ( 0.000 -6.353 3.821) 7.414 13.238 ( 0.000 6.353 3.821) 7.414 13.578 ( 0.000 -2.234 1.815) 2.879 13.578 ( 0.000 2.234 1.815) 2.879 14.103 ( 0.000 -9.315 2.557) 9.659 14.103 ( 0.000 9.315 2.557) 9.659 14.264 ( 0.000 -10.723 -6.836) 12.716 14.264 ( 0.000 10.723 -6.836) 12.716 15.413 ( 0.000 -0.164 -0.351) 0.388 15.413 ( 0.000 0.164 -0.351) 0.388 15.515 ( 0.000 -1.362 1.330) 1.904 15.515 ( 0.000 1.362 1.330) 1.904 22.874 ( 0.000 -5.216 4.567) 6.933 22.874 ( 0.000 5.216 4.567) 6.933 22.977 ( 0.000 -5.238 0.999) 5.332 22.977 ( 0.000 5.238 0.999) 5.332 23.202 ( 0.000 -5.749 -5.415) 7.897 23.202 ( 0.000 5.749 -5.415) 7.897 23.675 ( 0.000 -4.209 -4.379) 6.074 23.675 ( 0.000 4.209 -4.379) 6.074 23.989 ( 0.000 -0.368 1.650) 1.690 23.989 ( 0.000 0.368 1.650) 1.690 24.201 ( 0.000 -1.940 -2.036) 2.812 24.201 ( 0.000 1.940 -2.036) 2.812 24.930 ( 0.000 -2.330 4.957) 5.477 24.930 ( 0.000 2.330 4.957) 5.477 25.169 ( 0.000 -5.578 3.078) 6.371 25.169 ( 0.000 5.578 3.078) 6.371 ======================= Grid point 202 (74/90) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.555 ( -0.550 -5.313 4.173) 6.778 3.555 ( -0.550 5.313 4.173) 6.778 3.773 ( 3.950 -4.635 13.579) 14.882 3.773 ( 3.950 4.635 13.579) 14.882 4.226 ( -3.314 -7.299 1.568) 8.168 4.226 ( -3.314 7.299 1.568) 8.168 4.343 ( -5.078 -4.019 0.479) 6.494 4.343 ( -5.078 4.019 0.479) 6.494 4.471 ( 2.300 -0.960 -0.270) 2.507 4.471 ( 2.300 0.960 -0.270) 2.507 4.689 ( -2.584 -7.303 -1.561) 7.903 4.689 ( -2.584 7.303 -1.561) 7.903 5.243 ( -1.619 -3.928 9.314) 10.237 5.243 ( -1.619 3.928 9.314) 10.237 5.361 ( -6.137 -3.580 12.750) 14.596 5.361 ( -6.137 3.580 12.750) 14.596 5.803 ( 2.620 -4.849 0.348) 5.522 5.803 ( 2.620 4.849 0.348) 5.522 6.047 ( -1.525 -5.341 -4.573) 7.194 6.047 ( -1.525 5.341 -4.573) 7.194 6.099 ( 10.241 -5.958 -4.635) 12.722 6.099 ( 10.241 5.958 -4.635) 12.722 6.832 ( -10.708 -1.060 -6.877) 12.770 6.832 ( -10.708 1.060 -6.877) 12.770 7.357 ( 6.921 -4.805 -10.888) 13.767 7.357 ( 6.921 4.805 -10.888) 13.767 7.582 ( 13.280 -1.837 -8.386) 15.814 7.582 ( 13.280 1.837 -8.386) 15.814 8.460 ( -8.377 -9.055 0.530) 12.347 8.460 ( -8.377 9.055 0.530) 12.347 8.650 ( -2.932 -9.248 0.306) 9.707 8.650 ( -2.932 9.248 0.306) 9.707 8.941 ( 2.517 -2.948 -0.138) 3.879 8.941 ( 2.517 2.948 -0.138) 3.879 9.112 ( -1.721 -7.114 -0.065) 7.320 9.112 ( -1.721 7.114 -0.065) 7.320 9.265 ( 4.193 -4.628 -4.909) 7.943 9.265 ( 4.193 4.628 -4.909) 7.943 9.635 ( 8.673 -2.874 -0.947) 9.186 9.635 ( 8.673 2.874 -0.947) 9.186 9.842 ( -7.245 -5.002 -4.112) 9.716 9.842 ( -7.245 5.002 -4.112) 9.716 10.152 ( 0.300 -2.668 -1.946) 3.316 10.152 ( 0.300 2.668 -1.946) 3.316 10.790 ( 1.847 -1.011 -1.977) 2.888 10.790 ( 1.847 1.011 -1.977) 2.888 11.231 ( -8.027 -2.745 -5.399) 10.056 11.231 ( -8.027 2.745 -5.399) 10.056 11.511 ( -0.637 -6.896 2.547) 7.379 11.511 ( -0.637 6.896 2.547) 7.379 11.535 ( -1.100 -6.970 -1.785) 7.279 11.535 ( -1.100 6.970 -1.785) 7.279 12.678 ( 0.721 -8.539 3.434) 9.232 12.678 ( 0.721 8.539 3.434) 9.232 12.702 ( 0.377 -6.024 2.239) 6.437 12.702 ( 0.377 6.024 2.239) 6.437 13.289 ( 4.882 -5.180 3.563) 7.960 13.289 ( 4.882 5.181 3.563) 7.960 13.561 ( -1.830 -2.403 1.748) 3.490 13.561 ( -1.830 2.403 1.748) 3.490 14.113 ( 1.164 -9.065 2.093) 9.376 14.113 ( 1.164 9.065 2.093) 9.376 14.247 ( -1.758 -10.071 -5.731) 11.720 14.247 ( -1.758 10.071 -5.731) 11.720 15.421 ( 0.804 -0.440 -0.230) 0.945 15.421 ( 0.804 0.440 -0.230) 0.945 15.503 ( -1.136 -1.325 1.127) 2.078 15.503 ( -1.136 1.325 1.127) 2.078 22.889 ( 1.357 -5.302 4.722) 7.228 22.889 ( 1.357 5.302 4.722) 7.228 22.969 ( -0.807 -5.294 1.746) 5.633 22.969 ( -0.807 5.294 1.746) 5.633 23.247 ( 4.610 -6.079 -6.113) 9.777 23.247 ( 4.610 6.079 -6.113) 9.777 23.637 ( -4.015 -4.674 -4.858) 7.846 23.637 ( -4.015 4.674 -4.858) 7.846 24.000 ( 1.118 -0.328 1.449) 1.859 24.000 ( 1.118 0.328 1.449) 1.859 24.160 ( -3.700 -1.419 -1.374) 4.194 24.160 ( -3.700 1.419 -1.374) 4.194 24.966 ( 3.317 -3.350 4.619) 6.600 24.966 ( 3.317 3.350 4.619) 6.600 25.153 ( -1.625 -5.525 3.197) 6.587 25.153 ( -1.625 5.525 3.197) 6.587 ======================= Grid point 204 (75/90) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.608 ( 6.200 -5.333 3.799) 9.018 3.608 ( 6.200 5.333 3.799) 9.018 3.754 ( -6.580 -2.536 6.602) 9.660 3.754 ( -6.580 2.536 6.602) 9.660 4.188 ( 1.138 -2.924 1.781) 3.608 4.188 ( 1.138 2.924 1.781) 3.608 4.249 ( -4.245 -3.191 5.247) 7.466 4.249 ( -4.245 3.191 5.247) 7.466 4.542 ( 4.935 -1.707 -0.713) 5.271 4.542 ( 4.935 1.707 -0.713) 5.271 4.635 ( -3.826 -5.778 -0.263) 6.935 4.635 ( -3.826 5.778 -0.263) 6.935 5.212 ( -0.490 -1.676 10.514) 10.658 5.212 ( -0.490 1.676 10.514) 10.658 5.251 ( -4.392 -2.579 11.924) 12.966 5.251 ( -4.392 2.579 11.924) 12.966 5.876 ( 4.634 -6.388 -1.675) 8.067 5.876 ( 4.634 6.388 -1.675) 8.067 5.970 ( -4.854 -6.130 -4.041) 8.801 5.970 ( -4.854 6.130 -4.041) 8.801 6.359 ( 14.190 -2.365 -3.967) 14.922 6.359 ( 14.190 2.365 -3.967) 14.922 6.614 ( -12.178 -1.616 -5.065) 13.288 6.614 ( -12.178 1.616 -5.065) 13.288 7.535 ( 10.766 -4.899 -10.795) 16.014 7.535 ( 10.766 4.899 -10.795) 16.014 7.702 ( -3.327 -3.924 -9.865) 11.126 7.702 ( -3.327 3.924 -9.865) 11.126 8.405 ( 4.642 -7.333 -0.832) 8.719 8.405 ( 4.642 7.333 -0.832) 8.719 8.551 ( -7.537 -6.507 -0.341) 9.963 8.551 ( -7.537 6.507 -0.341) 9.963 8.988 ( 2.799 -8.924 1.340) 9.448 8.988 ( 2.799 8.924 1.340) 9.448 9.052 ( -3.667 -10.123 1.063) 10.819 9.052 ( -3.667 10.123 1.063) 10.819 9.408 ( 9.581 -6.353 -2.229) 11.711 9.408 ( 9.581 6.353 -2.229) 11.711 9.606 ( -10.096 -4.900 -1.545) 11.328 9.606 ( -10.096 4.900 -1.545) 11.328 9.902 ( 11.229 -6.064 -4.183) 13.430 9.902 ( 11.229 6.064 -4.183) 13.430 10.090 ( -7.064 -4.803 -3.043) 9.068 10.090 ( -7.064 4.803 -3.043) 9.068 10.867 ( 6.524 -2.197 -2.849) 7.451 10.867 ( 6.524 2.197 -2.849) 7.451 11.037 ( -10.610 -2.760 -5.179) 12.125 11.037 ( -10.610 2.760 -5.179) 12.125 11.507 ( 0.290 -6.285 1.087) 6.385 11.507 ( 0.290 6.285 1.087) 6.385 11.518 ( -0.743 -6.550 0.038) 6.592 11.518 ( -0.743 6.550 0.038) 6.592 12.693 ( 0.778 -5.300 2.835) 6.061 12.693 ( 0.778 5.300 2.835) 6.061 12.704 ( -0.256 -3.598 2.301) 4.279 12.704 ( -0.256 3.598 2.301) 4.279 13.401 ( 6.083 -3.008 2.761) 7.326 13.401 ( 6.083 3.008 2.761) 7.326 13.503 ( -4.286 -2.307 1.973) 5.253 13.503 ( -4.286 2.307 1.973) 5.253 14.148 ( 2.438 -8.549 0.233) 8.893 14.148 ( 2.438 8.549 0.233) 8.893 14.201 ( -2.791 -8.860 -2.894) 9.730 14.201 ( -2.791 8.860 -2.894) 9.730 15.443 ( 1.491 -0.924 0.121) 1.759 15.443 ( 1.491 0.924 0.121) 1.759 15.475 ( -1.691 -1.215 0.637) 2.177 15.475 ( -1.691 1.215 0.637) 2.177 22.919 ( 1.631 -5.328 4.377) 7.086 22.919 ( 1.631 5.328 4.377) 7.086 22.948 ( -1.343 -5.294 3.184) 6.322 22.948 ( -1.343 5.294 3.184) 6.322 23.370 ( 7.797 -6.157 -6.629) 11.944 23.370 ( 7.797 6.157 -6.629) 11.944 23.524 ( -7.501 -5.610 -5.958) 11.101 23.524 ( -7.501 5.610 -5.958) 11.101 24.032 ( 2.183 -0.214 0.887) 2.366 24.032 ( 2.183 0.214 0.887) 2.366 24.086 ( -3.501 -0.439 -0.095) 3.530 24.086 ( -3.501 0.439 -0.095) 3.530 25.039 ( 3.939 -4.577 4.037) 7.263 25.039 ( 3.939 4.577 4.037) 7.263 25.108 ( -3.049 -5.261 3.535) 7.034 25.108 ( -3.049 5.261 3.535) 7.034 ======================= Grid point 225 (76/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( 0.000 0.000 -9.860) 9.860 2.767 ( 0.000 0.000 9.860) 9.860 3.482 ( 0.000 0.000 -20.065) 20.065 3.482 ( 0.000 0.000 20.065) 20.065 3.521 ( 0.000 0.000 -8.867) 8.867 3.521 ( 0.000 0.000 8.867) 8.867 3.619 ( 0.000 0.000 -0.916) 0.916 3.619 ( 0.000 0.000 0.916) 0.916 4.089 ( 0.000 0.000 -0.751) 0.751 4.089 ( 0.000 0.000 0.751) 0.751 4.352 ( 0.000 0.000 -2.753) 2.753 4.352 ( 0.000 0.000 2.753) 2.753 5.295 ( 0.000 0.000 -4.225) 4.225 5.295 ( 0.000 0.000 4.225) 4.225 5.422 ( 0.000 0.000 -7.750) 7.750 5.422 ( 0.000 0.000 7.750) 7.750 5.703 ( 0.000 0.000 -9.431) 9.431 5.703 ( 0.000 0.000 9.431) 9.431 5.876 ( 0.000 0.000 -0.614) 0.614 5.876 ( 0.000 0.000 0.614) 0.614 6.714 ( 0.000 0.000 -6.015) 6.015 6.714 ( 0.000 0.000 6.015) 6.015 6.732 ( 0.000 0.000 -2.568) 2.568 6.732 ( 0.000 0.000 2.568) 2.568 7.159 ( 0.000 0.000 -1.265) 1.265 7.159 ( 0.000 0.000 1.265) 1.265 7.717 ( 0.000 0.000 -1.819) 1.819 7.717 ( 0.000 0.000 1.819) 1.819 7.901 ( 0.000 0.000 -2.396) 2.396 7.901 ( 0.000 0.000 2.396) 2.396 8.450 ( 0.000 0.000 -0.068) 0.068 8.450 ( 0.000 0.000 0.068) 0.068 8.909 ( 0.000 0.000 -10.163) 10.163 8.909 ( 0.000 0.000 10.163) 10.163 9.232 ( 0.000 0.000 -12.183) 12.183 9.232 ( 0.000 0.000 12.183) 12.183 9.315 ( 0.000 0.000 -1.107) 1.107 9.315 ( 0.000 0.000 1.107) 1.107 9.942 ( 0.000 0.000 -4.843) 4.843 9.942 ( 0.000 0.000 4.843) 4.843 10.436 ( 0.000 0.000 -10.455) 10.455 10.436 ( 0.000 0.000 10.455) 10.455 10.524 ( 0.000 0.000 -4.513) 4.513 10.524 ( 0.000 0.000 4.513) 4.513 10.688 ( 0.000 0.000 -12.843) 12.843 10.688 ( 0.000 0.000 12.843) 12.843 11.047 ( 0.000 0.000 -2.715) 2.715 11.047 ( 0.000 0.000 2.715) 2.715 11.484 ( 0.000 0.000 -5.359) 5.359 11.484 ( 0.000 0.000 5.359) 5.359 11.936 ( 0.000 0.000 -1.903) 1.903 11.936 ( 0.000 0.000 1.903) 1.903 12.253 ( 0.000 0.000 -8.927) 8.927 12.253 ( 0.000 0.000 8.927) 8.927 12.506 ( 0.000 0.000 -7.084) 7.084 12.506 ( 0.000 0.000 7.084) 7.084 13.063 ( 0.000 0.000 -7.523) 7.523 13.063 ( 0.000 0.000 7.523) 7.523 13.733 ( 0.000 0.000 -3.263) 3.263 13.733 ( 0.000 0.000 3.263) 3.263 13.738 ( 0.000 0.000 -3.159) 3.159 13.738 ( 0.000 0.000 3.159) 3.159 14.704 ( 0.000 0.000 -4.990) 4.990 14.704 ( 0.000 0.000 4.990) 4.990 15.195 ( 0.000 0.000 -5.575) 5.575 15.195 ( 0.000 0.000 5.575) 5.575 16.449 ( 0.000 0.000 -10.622) 10.622 16.449 ( 0.000 0.000 10.622) 10.622 22.331 ( 0.000 0.000 -5.771) 5.771 22.331 ( 0.000 0.000 5.771) 5.771 22.478 ( 0.000 0.000 -6.378) 6.378 22.478 ( 0.000 0.000 6.378) 6.378 23.255 ( 0.000 0.000 -2.545) 2.545 23.255 ( 0.000 0.000 2.545) 2.545 23.706 ( 0.000 0.000 -4.015) 4.015 23.706 ( 0.000 0.000 4.015) 4.015 23.990 ( 0.000 0.000 -0.437) 0.437 23.990 ( 0.000 0.000 0.437) 0.437 24.164 ( 0.000 0.000 -5.322) 5.322 24.164 ( 0.000 0.000 5.322) 5.322 24.918 ( 0.000 0.000 -3.699) 3.699 24.918 ( 0.000 0.000 3.699) 3.699 25.646 ( 0.000 0.000 -8.314) 8.314 25.646 ( 0.000 0.000 8.314) 8.314 ======================= Grid point 227 (77/90) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 2.214 0.000 -8.202) 8.496 2.791 ( 2.214 0.000 8.202) 8.496 3.483 ( 0.498 0.000 -15.951) 15.958 3.483 ( 0.498 0.000 15.951) 15.958 3.498 ( -2.072 0.000 -6.133) 6.474 3.498 ( -2.072 0.000 6.133) 6.474 3.621 ( 0.196 0.000 -0.270) 0.334 3.621 ( 0.196 0.000 0.270) 0.334 4.069 ( -2.623 0.000 -2.392) 3.550 4.069 ( -2.623 0.000 2.392) 3.550 4.358 ( 0.573 0.000 -2.247) 2.319 4.358 ( 0.573 0.000 2.247) 2.319 5.233 ( -4.460 0.000 -5.029) 6.722 5.233 ( -4.460 0.000 5.029) 6.722 5.471 ( 5.261 0.000 -7.717) 9.340 5.471 ( 5.261 0.000 7.717) 9.340 5.780 ( 5.657 0.000 -8.140) 9.913 5.780 ( 5.657 0.000 8.140) 9.913 5.896 ( 1.895 0.000 -0.655) 2.005 5.896 ( 1.895 0.000 0.655) 2.005 6.698 ( -1.538 0.000 -5.175) 5.399 6.698 ( -1.538 0.000 5.175) 5.399 6.732 ( 0.034 0.000 -2.880) 2.881 6.732 ( 0.034 0.000 2.880) 2.881 7.134 ( -2.177 0.000 -1.104) 2.440 7.134 ( -2.177 0.000 1.104) 2.440 7.421 ( -18.277 0.000 -2.693) 18.475 7.421 ( -18.277 0.000 2.693) 18.475 8.170 ( 15.587 0.000 -1.618) 15.671 8.170 ( 15.587 0.000 1.618) 15.671 8.465 ( 1.370 0.000 -1.393) 1.954 8.465 ( 1.370 0.000 1.393) 1.954 8.849 ( -3.898 0.000 -5.267) 6.553 8.849 ( -3.898 0.000 5.267) 6.553 9.339 ( 2.236 0.000 -0.877) 2.402 9.339 ( 2.236 0.000 0.877) 2.402 9.386 ( 13.155 0.000 -10.620) 16.907 9.386 ( 13.155 0.000 10.620) 16.907 9.899 ( -3.847 0.000 -4.214) 5.706 9.899 ( -3.847 0.000 4.214) 5.706 10.422 ( -10.232 0.000 -4.991) 11.385 10.422 ( -10.232 0.000 4.991) 11.385 10.470 ( 3.001 0.000 -9.914) 10.359 10.470 ( 3.001 0.000 9.914) 10.359 10.680 ( -0.829 0.000 -11.850) 11.879 10.680 ( -0.829 0.000 11.850) 11.879 10.969 ( -6.871 0.000 -4.358) 8.136 10.969 ( -6.871 0.000 4.358) 8.136 11.491 ( 1.302 0.000 -0.893) 1.579 11.491 ( 1.302 0.000 0.893) 1.579 12.021 ( 6.683 0.000 -4.948) 8.316 12.021 ( 6.683 0.000 4.948) 8.316 12.234 ( -1.604 0.000 -6.643) 6.834 12.234 ( -1.604 0.000 6.643) 6.834 12.521 ( 1.253 0.000 -5.118) 5.269 12.521 ( 1.253 0.000 5.118) 5.269 13.038 ( -2.175 0.000 -6.491) 6.845 13.038 ( -2.175 0.000 6.491) 6.845 13.732 ( -0.040 0.000 -2.644) 2.645 13.732 ( -0.040 0.000 2.644) 2.645 13.785 ( 4.211 0.000 -2.616) 4.957 13.785 ( 4.211 0.000 2.616) 4.958 14.677 ( -2.481 0.000 -3.948) 4.663 14.677 ( -2.481 0.000 3.948) 4.663 15.204 ( 0.839 0.000 -4.808) 4.881 15.204 ( 0.839 0.000 4.808) 4.881 16.426 ( -2.100 0.000 -8.664) 8.914 16.426 ( -2.100 0.000 8.664) 8.914 22.331 ( -0.002 0.000 -4.668) 4.668 22.331 ( -0.002 0.000 4.668) 4.668 22.478 ( 0.001 0.000 -5.158) 5.158 22.478 ( 0.001 0.000 5.158) 5.158 23.306 ( 4.947 0.000 -3.265) 5.928 23.306 ( 4.947 0.000 3.265) 5.928 23.694 ( -1.329 0.000 -4.096) 4.306 23.694 ( -1.329 0.000 4.096) 4.306 23.988 ( -0.197 0.000 -0.515) 0.551 23.988 ( -0.197 0.000 0.515) 0.551 24.131 ( -3.065 0.000 -4.425) 5.383 24.131 ( -3.065 0.000 4.425) 5.383 24.902 ( -1.406 0.000 -2.684) 3.030 24.902 ( -1.406 0.000 2.684) 3.030 25.661 ( 1.309 0.000 -6.475) 6.606 25.661 ( 1.309 0.000 6.475) 6.606 ======================= Grid point 229 (78/90) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( 1.511 0.000 -3.316) 3.644 2.833 ( 1.511 0.000 3.316) 3.644 3.460 ( -1.376 0.000 -1.961) 2.396 3.460 ( -1.376 0.000 1.961) 2.396 3.506 ( 1.360 0.000 -6.310) 6.455 3.506 ( 1.360 0.000 6.310) 6.455 3.624 ( 0.074 0.000 -0.424) 0.430 3.624 ( 0.074 0.000 0.424) 0.430 3.998 ( -3.251 0.000 -1.797) 3.715 3.998 ( -3.251 0.000 1.797) 3.715 4.368 ( 0.353 0.000 -0.870) 0.939 4.368 ( 0.353 0.000 0.870) 0.939 5.173 ( -1.518 0.000 -1.844) 2.388 5.173 ( -1.518 0.000 1.844) 2.388 5.590 ( 5.133 0.000 -2.661) 5.782 5.590 ( 5.133 0.000 2.661) 5.782 5.857 ( 1.832 0.000 -4.248) 4.626 5.857 ( 1.832 0.000 4.248) 4.626 5.932 ( 1.328 0.000 -0.369) 1.379 5.932 ( 1.328 0.000 0.369) 1.379 6.667 ( -1.205 0.000 -2.191) 2.500 6.667 ( -1.205 0.000 2.191) 2.500 6.736 ( 0.330 0.000 -1.891) 1.919 6.736 ( 0.330 0.000 1.891) 1.919 7.097 ( -1.191 0.000 -0.490) 1.288 7.097 ( -1.191 0.000 0.490) 1.288 7.135 ( -9.276 0.000 -2.413) 9.584 7.135 ( -9.276 0.000 2.413) 9.584 8.394 ( 6.469 0.000 -3.287) 7.256 8.394 ( 6.469 0.000 3.287) 7.256 8.489 ( 0.770 0.000 -0.827) 1.130 8.489 ( 0.770 0.000 0.827) 1.130 8.802 ( -0.986 0.000 -5.109) 5.203 8.802 ( -0.986 0.000 5.109) 5.203 9.384 ( 1.780 0.000 -0.354) 1.815 9.384 ( 1.780 0.000 0.354) 1.815 9.654 ( 12.238 0.000 -5.898) 13.585 9.654 ( 12.238 0.000 5.898) 13.585 9.828 ( -2.578 0.000 -1.854) 3.175 9.828 ( -2.578 0.000 1.854) 3.175 10.181 ( -11.928 0.000 -3.619) 12.465 10.181 ( -11.928 0.000 3.619) 12.465 10.526 ( 2.118 0.000 -5.817) 6.191 10.526 ( 2.118 0.000 5.817) 6.191 10.660 ( -0.951 0.000 -6.560) 6.629 10.660 ( -0.951 0.000 6.560) 6.629 10.854 ( -3.679 0.000 -2.177) 4.275 10.854 ( -3.679 0.000 2.177) 4.275 11.523 ( 1.312 0.000 -1.707) 2.153 11.523 ( 1.312 0.000 1.707) 2.153 12.123 ( 3.058 0.000 -3.155) 4.394 12.123 ( 3.058 0.000 3.155) 4.394 12.207 ( -0.877 0.000 -2.315) 2.476 12.207 ( -0.877 0.000 2.315) 2.476 12.541 ( 0.657 0.000 -1.711) 1.832 12.541 ( 0.657 0.000 1.711) 1.832 13.002 ( -1.140 0.000 -2.786) 3.011 13.002 ( -1.140 0.000 2.786) 3.011 13.732 ( -0.025 0.000 -1.013) 1.013 13.732 ( -0.025 0.000 1.013) 1.013 13.861 ( 2.643 0.000 -1.023) 2.834 13.861 ( 2.643 0.000 1.023) 2.834 14.630 ( -1.715 0.000 -1.480) 2.266 14.630 ( -1.715 0.000 1.480) 2.266 15.219 ( 0.539 0.000 -2.040) 2.110 15.219 ( 0.539 0.000 2.040) 2.110 16.388 ( -1.339 0.000 -3.364) 3.621 16.388 ( -1.339 0.000 3.364) 3.621 22.331 ( -0.001 0.000 -1.782) 1.782 22.331 ( -0.001 0.000 1.782) 1.782 22.478 ( 0.001 0.000 -1.969) 1.969 22.478 ( 0.001 0.000 1.969) 1.969 23.414 ( 4.775 0.000 -2.915) 5.594 23.414 ( 4.775 0.000 2.915) 5.594 23.654 ( -2.382 0.000 -3.084) 3.897 23.654 ( -2.382 0.000 3.084) 3.897 23.985 ( -0.075 0.000 -0.342) 0.350 23.985 ( -0.075 0.000 0.342) 0.350 24.072 ( -2.154 0.000 -1.677) 2.730 24.072 ( -2.154 0.000 1.677) 2.730 24.878 ( -0.740 0.000 -0.866) 1.139 24.878 ( -0.740 0.000 0.866) 1.139 25.683 ( 0.734 0.000 -2.345) 2.457 25.683 ( 0.734 0.000 2.345) 2.457 ======================= Grid point 235 (79/90) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( 0.000 19.256 -8.003) 20.853 2.987 ( 0.000 19.256 8.003) 20.853 3.494 ( 0.000 2.116 -16.845) 16.977 3.494 ( 0.000 2.116 16.845) 16.977 3.596 ( 0.000 6.453 -6.667) 9.279 3.596 ( 0.000 6.453 6.667) 9.279 3.792 ( 0.000 14.409 -1.564) 14.493 3.792 ( 0.000 14.409 1.564) 14.493 4.090 ( 0.000 0.687 -2.325) 2.424 4.090 ( 0.000 0.687 2.325) 2.424 4.519 ( 0.000 14.845 -3.765) 15.315 4.519 ( 0.000 14.845 3.765) 15.315 5.279 ( 0.000 -4.352 -3.334) 5.483 5.279 ( 0.000 -4.352 3.334) 5.483 5.333 ( 0.000 -3.983 -0.550) 4.020 5.333 ( 0.000 -3.983 0.550) 4.020 5.668 ( 0.000 -2.133 -6.848) 7.173 5.668 ( 0.000 -2.133 6.848) 7.173 5.953 ( 0.000 4.875 -0.766) 4.935 5.953 ( 0.000 4.875 0.766) 4.935 6.578 ( 0.000 -8.582 -4.629) 9.750 6.578 ( 0.000 -8.582 4.629) 9.750 6.821 ( 0.000 3.996 -4.091) 5.719 6.821 ( 0.000 3.996 4.091) 5.719 7.189 ( 0.000 1.959 -0.985) 2.193 7.189 ( 0.000 1.959 0.985) 2.193 7.624 ( 0.000 -7.656 -1.494) 7.800 7.624 ( 0.000 -7.656 1.494) 7.800 7.942 ( 0.000 4.804 -2.809) 5.564 7.942 ( 0.000 4.804 2.809) 5.564 8.509 ( 0.000 4.544 -1.774) 4.878 8.509 ( 0.000 4.544 1.774) 4.878 8.886 ( 0.000 -1.787 -10.639) 10.788 8.886 ( 0.000 -1.787 10.639) 10.788 9.193 ( 0.000 -2.876 -9.553) 9.976 9.193 ( 0.000 -2.876 9.553) 9.976 9.358 ( 0.000 2.996 -0.004) 2.996 9.358 ( 0.000 2.996 0.004) 2.996 9.899 ( 0.000 -4.370 -5.050) 6.678 9.899 ( 0.000 -4.370 5.050) 6.678 10.375 ( 0.000 -5.393 -9.595) 11.006 10.375 ( 0.000 -5.393 9.595) 11.006 10.438 ( 0.000 -7.333 -9.177) 11.747 10.438 ( 0.000 -7.333 9.177) 11.747 10.704 ( 0.000 0.574 -6.574) 6.599 10.704 ( 0.000 0.574 6.574) 6.599 11.098 ( 0.000 4.637 -2.802) 5.418 11.098 ( 0.000 4.637 2.802) 5.418 11.427 ( 0.000 -4.370 -5.282) 6.856 11.427 ( 0.000 -4.370 5.282) 6.856 11.944 ( 0.000 0.230 -1.066) 1.090 11.944 ( 0.000 0.230 1.066) 1.090 12.304 ( 0.000 2.238 -6.710) 7.073 12.304 ( 0.000 2.238 6.710) 7.073 12.521 ( 0.000 4.237 -7.675) 8.767 12.521 ( 0.000 4.237 7.675) 8.767 13.122 ( 0.000 4.401 -6.976) 8.248 13.122 ( 0.000 4.401 6.976) 8.248 13.687 ( 0.000 -1.951 -1.835) 2.678 13.687 ( 0.000 -1.951 1.835) 2.678 13.781 ( 0.000 2.026 -3.053) 3.664 13.781 ( 0.000 2.026 3.053) 3.664 14.661 ( 0.000 -4.129 -4.846) 6.366 14.661 ( 0.000 -4.129 4.846) 6.366 15.204 ( 0.000 0.964 -5.345) 5.432 15.204 ( 0.000 0.964 5.345) 5.432 16.332 ( 0.000 -10.552 -8.710) 13.682 16.332 ( 0.000 -10.552 8.710) 13.682 22.433 ( 0.000 9.038 -5.036) 10.346 22.433 ( 0.000 9.038 5.036) 10.346 22.527 ( 0.000 4.518 -5.349) 7.002 22.527 ( 0.000 4.518 5.349) 7.002 23.254 ( 0.000 -0.288 -2.980) 2.994 23.254 ( 0.000 -0.288 2.980) 2.994 23.699 ( 0.000 -0.648 -4.500) 4.547 23.699 ( 0.000 -0.648 4.500) 4.547 23.994 ( 0.000 0.288 -0.455) 0.538 23.994 ( 0.000 0.288 0.455) 0.538 24.163 ( 0.000 -0.043 -4.841) 4.841 24.163 ( 0.000 -0.043 4.841) 4.841 24.913 ( 0.000 -0.373 -2.988) 3.012 24.913 ( 0.000 -0.373 2.988) 3.012 25.596 ( 0.000 -4.624 -7.688) 8.971 25.596 ( 0.000 -4.624 7.688) 8.971 ======================= Grid point 237 (80/90) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( 1.299 18.448 -6.602) 19.636 3.001 ( 1.299 18.448 6.602) 19.636 3.466 ( -1.454 1.316 -12.006) 12.165 3.466 ( -1.454 1.316 12.006) 12.165 3.627 ( 1.917 8.390 -7.619) 11.494 3.627 ( 1.917 8.390 7.619) 11.494 3.780 ( -0.979 14.144 -0.639) 14.192 3.780 ( -0.979 14.144 0.639) 14.192 4.060 ( -3.438 -0.243 -3.428) 4.861 4.060 ( -3.438 -0.243 3.428) 4.861 4.529 ( 0.868 15.240 -3.032) 15.563 4.529 ( 0.868 15.240 3.032) 15.563 5.210 ( -4.735 -2.929 -5.797) 8.038 5.210 ( -4.735 -2.929 5.797) 8.038 5.386 ( 5.572 -5.767 -8.120) 11.412 5.386 ( 5.572 -5.767 8.120) 11.412 5.718 ( 2.253 -3.319 -4.759) 6.224 5.718 ( 2.253 -3.319 4.759) 6.224 5.996 ( 4.673 5.660 -1.991) 7.606 5.996 ( 4.673 5.660 1.991) 7.606 6.567 ( -0.962 -8.658 -4.874) 9.982 6.567 ( -0.962 -8.658 4.874) 9.982 6.763 ( -5.018 -0.131 -3.255) 5.983 6.763 ( -5.018 -0.131 3.255) 5.983 7.195 ( 0.430 4.822 -1.499) 5.068 7.195 ( 0.430 4.822 1.499) 5.068 7.446 ( -12.803 1.905 -1.814) 13.070 7.446 ( -12.803 1.905 1.814) 13.070 8.129 ( 13.615 -1.542 -2.610) 13.948 8.129 ( 13.615 -1.542 2.610) 13.948 8.524 ( 0.804 4.050 -3.068) 5.144 8.524 ( 0.804 4.050 3.068) 5.144 8.828 ( -3.528 -1.671 -4.106) 5.665 8.828 ( -3.528 -1.671 4.106) 5.665 9.278 ( 6.056 -3.575 -6.032) 9.265 9.278 ( 6.056 -3.575 6.032) 9.265 9.433 ( 7.851 2.586 -3.575) 9.006 9.433 ( 7.851 2.586 3.575) 9.006 9.857 ( -3.547 -4.205 -4.317) 6.993 9.857 ( -3.547 -4.205 4.317) 6.993 10.326 ( -8.153 -7.368 -7.991) 13.587 10.326 ( -8.153 -7.368 7.991) 13.587 10.439 ( 3.011 -4.953 -9.471) 11.104 10.439 ( 3.011 -4.953 9.471) 11.104 10.680 ( -2.389 0.959 -7.883) 8.293 10.680 ( -2.389 0.959 7.883) 8.293 11.018 ( -6.985 4.152 -4.332) 9.208 11.018 ( -6.985 4.152 4.332) 9.208 11.449 ( 2.514 -3.382 -1.191) 4.379 11.449 ( 2.514 -3.382 1.191) 4.379 11.981 ( 2.055 -2.922 -3.986) 5.353 11.981 ( 2.055 -2.922 3.986) 5.353 12.320 ( 2.227 4.485 -5.686) 7.577 12.320 ( 2.227 4.485 5.686) 7.577 12.521 ( -0.308 3.116 -5.929) 6.705 12.521 ( -0.308 3.116 5.929) 6.705 13.111 ( -0.818 5.645 -5.823) 8.152 13.111 ( -0.818 5.645 5.823) 8.152 13.698 ( 0.630 -2.194 -0.829) 2.428 13.698 ( 0.630 -2.194 0.829) 2.428 13.811 ( 3.017 1.663 -1.935) 3.951 13.811 ( 3.017 1.663 1.935) 3.951 14.636 ( -2.276 -3.903 -3.901) 5.969 14.636 ( -2.276 -3.903 3.901) 5.969 15.210 ( 0.621 0.735 -4.576) 4.676 15.210 ( 0.621 0.735 4.576) 4.676 16.312 ( -1.818 -10.271 -7.106) 12.621 16.312 ( -1.818 -10.271 7.106) 12.621 22.434 ( 0.061 9.135 -4.179) 10.046 22.434 ( 0.061 9.135 4.179) 10.046 22.527 ( 0.038 4.530 -4.454) 6.353 22.527 ( 0.038 4.530 4.454) 6.353 23.304 ( 4.980 -0.324 -3.793) 6.268 23.304 ( 4.980 -0.324 3.793) 6.268 23.683 ( -1.831 -1.066 -4.703) 5.159 23.683 ( -1.831 -1.066 4.703) 5.159 23.993 ( -0.082 0.401 -0.548) 0.684 23.993 ( -0.082 0.401 0.548) 0.684 24.130 ( -3.070 -0.080 -3.944) 4.999 24.130 ( -3.070 -0.080 3.944) 4.999 24.900 ( -1.081 -0.021 -2.169) 2.423 24.900 ( -1.081 -0.021 2.169) 2.423 25.610 ( 1.231 -4.718 -5.999) 7.731 25.610 ( 1.231 -4.718 5.999) 7.731 ======================= Grid point 239 (81/90) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.026 ( 0.905 17.101 -2.628) 17.326 3.026 ( 0.905 17.101 2.628) 17.326 3.459 ( 0.322 1.220 -4.513) 4.686 3.459 ( 0.322 1.220 4.513) 4.686 3.650 ( 0.551 10.608 -3.424) 11.161 3.650 ( 0.551 10.608 3.424) 11.161 3.769 ( -0.092 13.728 -0.063) 13.728 3.769 ( -0.092 13.728 0.063) 13.728 3.975 ( -3.851 -1.913 -2.121) 4.794 3.975 ( -3.851 -1.913 2.121) 4.794 4.544 ( 0.488 15.811 -1.154) 15.860 4.544 ( 0.488 15.811 1.154) 15.860 5.148 ( -1.552 -2.581 -2.134) 3.692 5.148 ( -1.552 -2.581 2.134) 3.692 5.533 ( 8.604 -5.700 -4.338) 11.196 5.533 ( 8.604 -5.700 4.338) 11.196 5.690 ( -4.985 -7.112 -0.955) 8.737 5.690 ( -4.985 -7.112 0.955) 8.737 6.100 ( 4.237 7.438 -1.859) 8.760 6.100 ( 4.237 7.438 1.859) 8.760 6.549 ( -0.661 -8.300 -2.979) 8.843 6.549 ( -0.661 -8.300 2.979) 8.843 6.677 ( -2.851 -4.720 -1.277) 5.660 6.677 ( -2.851 -4.720 1.277) 5.660 7.199 ( -0.412 7.325 -2.390) 7.716 7.199 ( -0.412 7.325 2.390) 7.716 7.241 ( -6.225 8.486 -2.697) 10.864 7.241 ( -6.225 8.486 2.697) 10.864 8.364 ( 9.807 -1.985 -4.787) 11.092 8.364 ( 9.807 -1.985 4.787) 11.092 8.498 ( -4.060 0.628 -4.740) 6.273 8.498 ( -4.060 0.628 4.740) 6.273 8.799 ( 0.090 -0.037 -3.372) 3.373 8.799 ( 0.090 -0.037 3.372) 3.373 9.381 ( 3.927 -0.526 -1.883) 4.386 9.381 ( 3.927 -0.526 1.883) 4.386 9.589 ( 5.035 -4.354 -3.416) 7.481 9.589 ( 5.035 -4.354 3.416) 7.481 9.821 ( 1.869 -2.467 -3.016) 4.321 9.821 ( 1.869 -2.467 3.016) 4.321 10.115 ( -11.011 -5.496 -5.670) 13.550 10.115 ( -11.011 -5.496 5.670) 13.550 10.517 ( 4.215 -5.564 -7.880) 10.526 10.517 ( 4.215 -5.564 7.880) 10.526 10.618 ( -3.794 1.678 -7.483) 8.556 10.618 ( -3.794 1.678 7.483) 8.556 10.904 ( -3.466 3.533 -2.071) 5.365 10.904 ( -3.466 3.533 2.071) 5.365 11.502 ( 2.066 -2.080 -1.423) 3.259 11.502 ( 2.066 -2.080 1.423) 3.259 11.989 ( -0.554 -6.998 -2.426) 7.427 11.989 ( -0.554 -6.998 2.426) 7.427 12.386 ( 3.496 9.292 -3.005) 10.373 12.386 ( 3.496 9.292 3.005) 10.373 12.500 ( -1.655 -0.702 -2.511) 3.088 12.500 ( -1.654 -0.702 2.511) 3.088 13.100 ( -0.287 7.545 -2.321) 7.899 13.100 ( -0.287 7.545 2.321) 7.899 13.704 ( 0.109 -2.152 -0.465) 2.204 13.704 ( 0.109 -2.152 0.465) 2.204 13.871 ( 2.213 0.731 -0.714) 2.438 13.871 ( 2.213 0.731 0.714) 2.438 14.593 ( -1.587 -3.529 -1.497) 4.149 14.593 ( -1.587 -3.529 1.497) 4.149 15.222 ( 0.407 0.368 -1.917) 1.994 15.222 ( 0.407 0.368 1.917) 1.994 16.279 ( -1.157 -9.802 -2.760) 10.248 16.279 ( -1.157 -9.802 2.760) 10.248 22.435 ( 0.032 9.270 -1.654) 9.417 22.435 ( 0.032 9.270 1.654) 9.417 22.528 ( 0.023 4.558 -1.770) 4.890 22.528 ( 0.023 4.558 1.770) 4.890 23.418 ( 5.421 0.196 -3.697) 6.565 23.418 ( 5.421 0.196 3.697) 6.565 23.627 ( -3.412 -2.472 -3.946) 5.772 23.627 ( -3.412 -2.472 3.946) 5.772 23.992 ( 0.060 0.677 -0.381) 0.779 23.992 ( 0.060 0.677 0.381) 0.779 24.072 ( -2.102 -0.022 -1.425) 2.539 24.072 ( -2.102 -0.022 1.425) 2.539 24.882 ( -0.567 0.482 -0.703) 1.024 24.882 ( -0.567 0.482 0.703) 1.024 25.631 ( 0.694 -4.849 -2.177) 5.361 25.631 ( 0.694 -4.849 2.177) 5.361 ======================= Grid point 245 (82/90) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.459 ( 0.000 21.889 -3.199) 22.121 3.459 ( 0.000 21.889 3.199) 22.121 3.556 ( 0.000 3.077 -10.767) 11.198 3.556 ( 0.000 3.077 10.767) 11.198 3.788 ( 0.000 12.822 -1.676) 12.931 3.788 ( 0.000 12.822 1.676) 12.931 4.100 ( 0.000 8.824 -0.545) 8.841 4.100 ( 0.000 8.824 0.545) 8.841 4.177 ( 0.000 11.435 -5.937) 12.885 4.177 ( 0.000 11.435 5.937) 12.885 4.868 ( 0.000 11.964 -9.662) 15.378 4.868 ( 0.000 11.964 9.662) 15.378 5.117 ( 0.000 -3.727 -5.038) 6.267 5.117 ( 0.000 -3.727 5.038) 6.267 5.349 ( 0.000 3.537 -4.477) 5.706 5.349 ( 0.000 3.537 4.477) 5.706 5.642 ( 0.000 0.209 -3.614) 3.620 5.642 ( 0.000 0.209 3.614) 3.620 6.009 ( 0.000 -0.634 -1.613) 1.733 6.009 ( 0.000 -0.634 1.613) 1.733 6.376 ( 0.000 -9.861 -5.083) 11.094 6.376 ( 0.000 -9.861 5.083) 11.094 6.889 ( 0.000 2.520 -3.419) 4.247 6.889 ( 0.000 2.520 3.419) 4.247 7.196 ( 0.000 -1.579 -0.501) 1.657 7.196 ( 0.000 -1.579 0.501) 1.657 7.455 ( 0.000 -7.374 -0.101) 7.375 7.455 ( 0.000 -7.374 0.101) 7.375 8.127 ( 0.000 12.319 -2.842) 12.643 8.127 ( 0.000 12.319 2.842) 12.643 8.604 ( 0.000 4.211 -5.879) 7.232 8.604 ( 0.000 4.211 5.879) 7.232 8.862 ( 0.000 0.223 -9.351) 9.354 8.862 ( 0.000 0.223 9.351) 9.354 9.120 ( 0.000 -4.183 -7.538) 8.620 9.120 ( 0.000 -4.183 7.538) 8.620 9.425 ( 0.000 3.358 -1.068) 3.524 9.425 ( 0.000 3.358 1.068) 3.524 9.735 ( 0.000 -11.745 -4.382) 12.536 9.735 ( 0.000 -11.745 4.382) 12.536 10.226 ( 0.000 -9.877 -7.447) 12.370 10.226 ( 0.000 -9.877 7.447) 12.370 10.261 ( 0.000 -6.843 -8.052) 10.567 10.261 ( 0.000 -6.843 8.052) 10.567 10.713 ( 0.000 0.660 -1.880) 1.992 10.713 ( 0.000 0.660 1.880) 1.992 11.205 ( 0.000 4.330 -3.804) 5.763 11.205 ( 0.000 4.330 3.804) 5.763 11.353 ( 0.000 -1.492 -2.573) 2.974 11.353 ( 0.000 -1.492 2.573) 2.974 11.898 ( 0.000 -5.491 -0.203) 5.494 11.898 ( 0.000 -5.491 0.203) 5.494 12.353 ( 0.000 4.839 -4.471) 6.589 12.353 ( 0.000 4.839 4.471) 6.589 12.695 ( 0.000 9.515 -4.909) 10.707 12.695 ( 0.000 9.515 4.909) 10.707 13.197 ( 0.000 2.154 -6.112) 6.480 13.197 ( 0.000 2.154 6.112) 6.480 13.657 ( 0.000 -1.117 -0.342) 1.168 13.657 ( 0.000 -1.117 0.342) 1.168 13.837 ( 0.000 3.974 -1.028) 4.104 13.837 ( 0.000 3.974 1.028) 4.104 14.535 ( 0.000 -7.523 -4.530) 8.782 14.535 ( 0.000 -7.523 4.530) 8.782 15.240 ( 0.000 2.560 -4.137) 4.865 15.240 ( 0.000 2.560 4.137) 4.865 16.046 ( 0.000 -15.513 -4.589) 16.178 16.046 ( 0.000 -15.513 4.589) 16.178 22.638 ( 0.000 8.047 -5.329) 9.652 22.638 ( 0.000 8.047 5.329) 9.652 22.693 ( 0.000 12.215 -1.127) 12.267 22.693 ( 0.000 12.215 1.127) 12.267 23.232 ( 0.000 -2.003 -3.827) 4.320 23.232 ( 0.000 -2.003 3.827) 4.320 23.679 ( 0.000 -1.250 -5.319) 5.464 23.679 ( 0.000 -1.250 5.319) 5.464 24.000 ( 0.000 0.293 -0.503) 0.582 24.000 ( 0.000 0.293 0.503) 0.582 24.165 ( 0.000 0.296 -3.442) 3.455 24.165 ( 0.000 0.296 3.442) 3.455 24.912 ( 0.000 0.511 -1.153) 1.261 24.912 ( 0.000 0.511 1.153) 1.261 25.464 ( 0.000 -7.575 -6.173) 9.771 25.464 ( 0.000 -7.575 6.173) 9.771 ======================= Grid point 247 (83/90) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.449 ( -0.527 17.733 -2.762) 17.954 3.449 ( -0.527 17.733 2.762) 17.954 3.539 ( -0.979 8.739 -7.603) 11.625 3.539 ( -0.979 8.739 7.603) 11.625 3.830 ( 3.263 10.687 -3.310) 11.654 3.830 ( 3.263 10.687 3.310) 11.654 4.057 ( -4.769 5.179 -3.241) 7.750 4.057 ( -4.769 5.179 3.241) 7.750 4.157 ( -1.597 14.597 -3.629) 15.126 4.157 ( -1.597 14.597 3.629) 15.126 4.894 ( 2.713 12.155 -8.214) 14.919 4.894 ( 2.713 12.155 8.214) 14.919 5.099 ( -1.876 -1.665 -5.293) 5.857 5.099 ( -1.876 -1.665 5.293) 5.857 5.339 ( 0.924 1.768 -4.177) 4.630 5.339 ( 0.924 1.768 4.177) 4.630 5.659 ( -1.050 -2.409 -2.935) 3.940 5.659 ( -1.050 -2.409 2.935) 3.940 6.055 ( 5.297 -0.992 -1.083) 5.496 6.055 ( 5.297 -0.992 1.083) 5.496 6.384 ( 0.914 -7.929 -4.201) 9.020 6.384 ( 0.914 -7.929 4.201) 9.020 6.746 ( -10.366 -0.502 -2.669) 10.716 6.746 ( -10.366 -0.502 2.669) 10.716 7.256 ( 3.563 -0.036 -3.640) 5.094 7.256 ( 3.563 -0.036 3.640) 5.094 7.488 ( 0.811 1.789 -1.907) 2.738 7.488 ( 0.811 1.789 1.907) 2.738 8.181 ( 6.255 6.692 -3.927) 9.966 8.181 ( 6.255 6.692 3.927) 9.966 8.595 ( -1.798 2.414 -6.635) 7.286 8.595 ( -1.798 2.414 6.635) 7.286 8.806 ( -2.322 0.462 -3.320) 4.078 8.806 ( -2.322 0.462 3.320) 4.078 9.210 ( 6.739 -2.954 -6.878) 10.072 9.210 ( 6.739 -2.954 6.878) 10.072 9.487 ( 5.431 2.748 -0.404) 6.100 9.487 ( 5.431 2.748 0.404) 6.100 9.706 ( -2.553 -10.696 -3.748) 11.618 9.706 ( -2.553 -10.696 3.748) 11.618 10.116 ( -7.951 -11.418 -6.692) 15.439 10.116 ( -7.951 -11.418 6.692) 15.439 10.316 ( 2.718 -6.045 -7.503) 10.011 10.316 ( 2.718 -6.045 7.503) 10.011 10.711 ( -0.335 1.739 -3.346) 3.786 10.711 ( -0.335 1.739 3.346) 3.786 11.111 ( -8.209 3.867 -4.200) 9.999 11.111 ( -8.209 3.867 4.200) 9.999 11.385 ( 3.003 -1.787 -1.364) 3.751 11.385 ( 3.003 -1.787 1.364) 3.751 11.886 ( -1.699 -6.639 -1.578) 7.032 11.886 ( -1.699 -6.639 1.578) 7.032 12.393 ( 3.796 4.854 -4.071) 7.385 12.393 ( 3.796 4.854 4.071) 7.385 12.679 ( -1.560 8.850 -3.783) 9.750 12.679 ( -1.560 8.850 3.783) 9.750 13.221 ( 2.141 4.065 -4.792) 6.638 13.221 ( 2.141 4.065 4.792) 6.638 13.656 ( -0.199 -1.889 -1.138) 2.215 13.656 ( -0.199 -1.889 1.138) 2.215 13.859 ( 2.101 3.545 -1.115) 4.270 13.859 ( 2.101 3.545 1.115) 4.270 14.517 ( -1.665 -7.152 -3.693) 8.220 14.517 ( -1.665 -7.152 3.693) 8.220 15.241 ( 0.099 2.307 -3.478) 4.175 15.241 ( 0.099 2.307 3.478) 4.175 16.034 ( -1.130 -15.120 -3.749) 15.618 16.034 ( -1.130 -15.120 3.749) 15.618 22.645 ( 0.670 8.182 -4.918) 9.570 22.645 ( 0.670 8.182 4.918) 9.570 22.690 ( -0.274 12.294 -1.759) 12.422 22.690 ( -0.274 12.294 1.759) 12.422 23.280 ( 4.891 -2.196 -4.795) 7.193 23.280 ( 4.891 -2.196 4.795) 7.193 23.652 ( -2.989 -1.815 -5.734) 6.716 23.652 ( -2.989 -1.815 5.734) 6.716 24.003 ( 0.276 0.505 -0.552) 0.797 24.003 ( 0.276 0.505 0.552) 0.797 24.131 ( -3.084 0.259 -2.644) 4.071 24.131 ( -3.084 0.259 2.644) 4.071 24.910 ( -0.186 1.144 -1.007) 1.535 24.910 ( -0.186 1.144 1.007) 1.535 25.474 ( 0.925 -7.844 -4.866) 9.277 25.474 ( 0.925 -7.844 4.866) 9.277 ======================= Grid point 249 (84/90) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.460 ( 1.456 19.142 -1.838) 19.285 3.460 ( 1.456 19.142 1.838) 19.285 3.523 ( -0.888 7.635 -3.373) 8.394 3.523 ( -0.888 7.635 3.373) 8.394 3.882 ( 2.022 6.896 -1.810) 7.410 3.882 ( 2.022 6.896 1.810) 7.410 3.943 ( -5.249 4.121 -3.582) 7.574 3.943 ( -5.249 4.121 3.582) 7.574 4.135 ( -0.526 17.639 -0.716) 17.662 4.135 ( -0.526 17.639 0.716) 17.662 4.958 ( 3.173 17.972 -3.621) 18.606 4.958 ( 3.173 17.972 3.621) 18.606 5.054 ( -2.303 -3.075 -2.461) 4.563 5.054 ( -2.303 -3.075 2.461) 4.563 5.409 ( 5.651 -3.918 -3.480) 7.707 5.409 ( 5.651 -3.918 3.481) 7.707 5.570 ( -6.718 -5.553 -3.199) 9.285 5.570 ( -6.718 -5.553 3.199) 9.285 6.181 ( 5.654 -0.096 -2.483) 6.176 6.181 ( 5.654 -0.096 2.483) 6.176 6.405 ( 0.720 -4.488 -2.483) 5.180 6.405 ( 0.720 -4.488 2.483) 5.180 6.581 ( -5.474 -3.565 -1.997) 6.831 6.581 ( -5.474 -3.565 1.997) 6.831 7.318 ( 3.041 3.978 -3.688) 6.218 7.318 ( 3.041 3.978 3.688) 6.218 7.440 ( -4.200 8.761 -3.134) 10.208 7.440 ( -4.200 8.761 3.134) 10.208 8.338 ( 7.703 -0.205 -4.156) 8.755 8.338 ( 7.703 -0.205 4.156) 8.755 8.524 ( -4.630 1.991 -5.115) 7.181 8.524 ( -4.630 1.991 5.115) 7.181 8.810 ( 1.302 1.356 -1.618) 2.480 8.810 ( 1.302 1.356 1.618) 2.480 9.355 ( 8.488 -1.931 -5.739) 10.427 9.355 ( 8.488 -1.931 5.739) 10.427 9.522 ( -4.603 -1.660 -1.832) 5.224 9.522 ( -4.603 -1.660 1.832) 5.224 9.684 ( 1.174 -10.554 -3.252) 11.106 9.684 ( 1.174 -10.554 3.252) 11.106 9.979 ( -4.435 -6.299 -6.827) 10.293 9.979 ( -4.435 -6.299 6.827) 10.293 10.353 ( 0.953 -8.545 -5.000) 9.946 10.353 ( 0.953 -8.545 5.000) 9.946 10.697 ( -0.856 4.397 -2.783) 5.274 10.697 ( -0.856 4.397 2.783) 5.274 10.972 ( -4.440 2.442 -2.243) 5.542 10.972 ( -4.440 2.442 2.243) 5.542 11.444 ( 2.306 -2.707 -0.986) 3.690 11.444 ( 2.306 -2.707 0.986) 3.690 11.842 ( -1.931 -7.291 -1.088) 7.620 11.842 ( -1.931 -7.291 1.088) 7.620 12.469 ( 3.074 3.555 -2.184) 5.182 12.469 ( 3.074 3.555 2.184) 5.182 12.643 ( -1.752 8.737 -1.631) 9.059 12.643 ( -1.752 8.737 1.631) 9.059 13.260 ( 1.352 6.909 -1.742) 7.253 13.260 ( 1.352 6.909 1.742) 7.253 13.651 ( -0.220 -3.059 -0.687) 3.143 13.651 ( -0.220 -3.059 0.687) 3.143 13.899 ( 1.472 2.624 -0.547) 3.058 13.899 ( 1.472 2.624 0.547) 3.058 14.486 ( -1.168 -6.493 -1.434) 6.751 14.486 ( -1.168 -6.493 1.434) 6.751 15.243 ( 0.078 1.884 -1.416) 2.358 15.243 ( 0.078 1.884 1.416) 2.358 16.013 ( -0.715 -14.466 -1.459) 14.557 16.013 ( -0.715 -14.466 1.459) 14.557 22.658 ( 0.503 7.981 -2.833) 8.484 22.658 ( 0.503 7.981 2.833) 8.484 22.684 ( -0.284 12.806 -1.729) 12.925 22.684 ( -0.284 12.806 1.729) 12.925 23.405 ( 7.336 -1.922 -5.839) 9.571 23.405 ( 7.336 -1.922 5.839) 9.571 23.561 ( -6.234 -3.414 -6.147) 9.397 23.561 ( -6.234 -3.414 6.147) 9.397 24.011 ( 0.558 1.065 -0.398) 1.267 24.011 ( 0.558 1.065 0.398) 1.267 24.073 ( -2.174 0.204 -0.857) 2.345 24.073 ( -2.174 0.204 0.857) 2.345 24.906 ( -0.101 2.025 -0.417) 2.070 24.906 ( -0.101 2.025 0.417) 2.070 25.490 ( 0.535 -8.226 -1.789) 8.435 25.490 ( 0.535 -8.226 1.789) 8.435 ======================= Grid point 255 (85/90) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.582 ( 0.000 0.457 -1.529) 1.596 3.582 ( 0.000 0.457 1.529) 1.596 3.826 ( 0.000 13.060 -12.225) 17.889 3.826 ( 0.000 13.060 12.225) 17.889 4.138 ( 0.000 14.324 -1.588) 14.412 4.138 ( 0.000 14.324 1.588) 14.412 4.219 ( 0.000 6.952 -5.711) 8.997 4.219 ( 0.000 6.952 5.711) 8.997 4.397 ( 0.000 5.465 -4.075) 6.817 4.397 ( 0.000 5.465 4.075) 6.817 4.804 ( 0.000 -8.247 -7.597) 11.213 4.804 ( 0.000 -8.247 7.597) 11.213 5.267 ( 0.000 8.066 -0.446) 8.079 5.267 ( 0.000 8.066 0.446) 8.079 5.501 ( 0.000 8.872 -6.368) 10.920 5.501 ( 0.000 8.872 6.368) 10.920 5.696 ( 0.000 5.460 -4.872) 7.318 5.696 ( 0.000 5.460 4.872) 7.318 5.928 ( 0.000 -5.049 -0.888) 5.126 5.928 ( 0.000 -5.049 0.888) 5.126 6.180 ( 0.000 -9.112 -5.603) 10.696 6.180 ( 0.000 -9.112 5.603) 10.696 6.914 ( 0.000 -0.760 -1.268) 1.479 6.914 ( 0.000 -0.760 1.268) 1.479 7.163 ( 0.000 -0.133 -2.902) 2.905 7.163 ( 0.000 -0.133 2.902) 2.905 7.339 ( 0.000 -3.560 -0.946) 3.683 7.339 ( 0.000 -3.560 0.946) 3.683 8.404 ( 0.000 12.838 -0.116) 12.838 8.404 ( 0.000 12.838 0.116) 12.838 8.681 ( 0.000 3.032 -7.521) 8.109 8.681 ( 0.000 3.032 7.521) 8.109 8.925 ( 0.000 6.205 -3.734) 7.242 8.925 ( 0.000 6.205 3.734) 7.242 9.008 ( 0.000 -6.846 -5.501) 8.782 9.008 ( 0.000 -6.846 5.501) 8.782 9.417 ( 0.000 -15.341 -4.816) 16.079 9.417 ( 0.000 -15.341 4.816) 16.079 9.508 ( 0.000 2.821 -1.188) 3.061 9.508 ( 0.000 2.821 1.188) 3.061 10.002 ( 0.000 -9.840 -6.191) 11.625 10.002 ( 0.000 -9.840 6.191) 11.625 10.160 ( 0.000 -3.268 -1.767) 3.716 10.160 ( 0.000 -3.268 1.767) 3.716 10.735 ( 0.000 1.242 -0.246) 1.266 10.735 ( 0.000 1.242 0.246) 1.266 11.254 ( 0.000 0.956 -3.185) 3.325 11.254 ( 0.000 0.956 3.185) 3.325 11.393 ( 0.000 4.739 -0.230) 4.744 11.393 ( 0.000 4.739 0.230) 4.744 11.731 ( 0.000 -9.387 -0.180) 9.389 11.731 ( 0.000 -9.387 0.180) 9.389 12.516 ( 0.000 9.615 -2.150) 9.852 12.516 ( 0.000 9.615 2.150) 9.852 12.817 ( 0.000 0.298 -0.937) 0.983 12.817 ( 0.000 0.298 0.937) 0.983 13.234 ( 0.000 2.424 -5.182) 5.721 13.234 ( 0.000 2.424 5.182) 5.721 13.627 ( 0.000 -1.875 -0.924) 2.090 13.627 ( 0.000 -1.875 0.924) 2.090 13.966 ( 0.000 8.165 -2.065) 8.422 13.966 ( 0.000 8.165 2.065) 8.422 14.359 ( 0.000 -9.023 -4.010) 9.874 14.359 ( 0.000 -9.023 4.010) 9.874 15.314 ( 0.000 4.547 -1.820) 4.898 15.314 ( 0.000 4.547 1.820) 4.898 15.728 ( 0.000 -13.780 -1.059) 13.821 15.728 ( 0.000 -13.780 1.059) 13.821 22.804 ( 0.000 7.747 -2.896) 8.270 22.804 ( 0.000 7.747 2.896) 8.270 22.935 ( 0.000 8.732 -1.172) 8.810 22.935 ( 0.000 8.732 1.172) 8.810 23.172 ( 0.000 -3.136 -4.468) 5.458 23.172 ( 0.000 -3.136 4.468) 5.458 23.646 ( 0.000 -1.817 -4.514) 4.866 23.646 ( 0.000 -1.817 4.514) 4.866 24.005 ( 0.000 0.130 -0.388) 0.409 24.005 ( 0.000 0.130 0.388) 0.409 24.174 ( 0.000 0.459 -1.646) 1.709 24.174 ( 0.000 0.459 1.646) 1.709 24.943 ( 0.000 2.419 -0.759) 2.535 24.943 ( 0.000 2.419 0.759) 2.535 25.299 ( 0.000 -7.413 -4.195) 8.517 25.299 ( 0.000 -7.413 4.195) 8.517 ======================= Grid point 257 (86/90) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.563 ( -0.644 1.868 -3.595) 4.102 3.563 ( -0.644 1.868 3.595) 4.102 3.874 ( 3.416 13.015 -9.723) 16.601 3.874 ( 3.416 13.015 9.723) 16.601 4.062 ( -7.706 7.675 -5.137) 12.028 4.062 ( -7.706 7.675 5.137) 12.028 4.195 ( -1.494 11.004 -3.174) 11.549 4.195 ( -1.494 11.004 3.174) 11.549 4.407 ( 0.773 6.616 -2.315) 7.052 4.407 ( 0.773 6.616 2.315) 7.052 4.800 ( 0.309 -9.006 -7.693) 11.849 4.800 ( 0.309 -9.006 7.693) 11.849 5.289 ( 1.607 6.476 -5.493) 8.642 5.289 ( 1.607 6.476 5.493) 8.642 5.484 ( -0.710 8.494 -7.758) 11.526 5.484 ( -0.710 8.494 7.758) 11.526 5.633 ( -7.258 3.595 -7.394) 10.967 5.633 ( -7.258 3.595 7.394) 10.967 5.997 ( 7.015 -2.308 -2.814) 7.903 5.997 ( 7.015 -2.308 2.814) 7.903 6.216 ( 3.658 -9.086 -3.714) 10.475 6.216 ( 3.658 -9.086 3.714) 10.475 6.755 ( -11.090 0.666 -1.416) 11.200 6.755 ( -11.090 0.666 1.416) 11.200 7.235 ( 5.907 -0.434 -4.041) 7.170 7.235 ( 5.907 -0.434 4.041) 7.170 7.503 ( 10.720 -0.414 -1.891) 10.893 7.503 ( 10.720 -0.414 1.891) 10.893 8.354 ( -3.474 7.937 -3.913) 9.507 8.354 ( -3.474 7.937 3.913) 9.507 8.637 ( -3.832 2.297 -0.389) 4.485 8.637 ( -3.832 2.297 0.389) 4.485 8.866 ( -1.097 4.611 -3.070) 5.647 8.866 ( -1.097 4.611 3.070) 5.647 9.147 ( 8.149 -3.081 -4.180) 9.663 9.147 ( 8.149 -3.081 4.180) 9.663 9.415 ( -0.312 -15.045 -3.155) 15.375 9.415 ( -0.312 -15.045 3.155) 15.375 9.563 ( 4.751 4.395 -2.264) 6.857 9.563 ( 4.751 4.395 2.264) 6.857 9.904 ( -6.899 -8.503 -4.212) 11.732 9.904 ( -6.899 -8.503 4.212) 11.732 10.192 ( 1.008 -5.217 -3.173) 6.189 10.192 ( 1.008 -5.217 3.173) 6.189 10.750 ( 1.434 1.719 -1.219) 2.549 10.750 ( 1.434 1.719 1.219) 2.549 11.162 ( -8.636 1.096 -2.739) 9.126 11.162 ( -8.636 1.096 2.739) 9.126 11.402 ( 1.133 3.626 -0.838) 3.890 11.402 ( 1.133 3.626 0.838) 3.890 11.715 ( -1.648 -9.004 -0.411) 9.162 11.715 ( -1.648 -9.004 0.411) 9.162 12.543 ( 2.474 8.683 -2.142) 9.279 12.543 ( 2.474 8.683 2.142) 9.279 12.795 ( -1.865 0.904 -0.874) 2.249 12.795 ( -1.865 0.904 0.874) 2.249 13.286 ( 4.706 2.715 -3.887) 6.680 13.286 ( 4.706 2.715 3.887) 6.680 13.612 ( -1.494 -2.232 -1.383) 3.021 13.612 ( -1.494 -2.232 1.383) 3.021 13.978 ( 1.099 7.617 -1.850) 7.915 13.978 ( 1.099 7.617 1.850) 7.915 14.349 ( -0.931 -8.642 -3.258) 9.282 14.349 ( -0.931 -8.642 3.258) 9.282 15.313 ( -0.058 4.703 -1.487) 4.933 15.313 ( -0.058 4.703 1.487) 4.933 15.722 ( -0.577 -13.690 -0.883) 13.730 15.722 ( -0.577 -13.690 0.883) 13.730 22.816 ( 1.052 8.072 -2.501) 8.515 22.816 ( 1.052 8.072 2.501) 8.515 22.933 ( -0.181 8.760 -0.913) 8.810 22.933 ( -0.181 8.760 0.913) 8.810 23.214 ( 4.431 -3.486 -5.097) 7.600 23.214 ( 4.431 -3.486 5.097) 7.600 23.608 ( -4.011 -2.238 -4.879) 6.700 23.608 ( -4.011 -2.238 4.879) 6.700 24.012 ( 0.710 0.303 -0.368) 0.855 24.012 ( 0.710 0.303 0.368) 0.855 24.139 ( -3.082 0.457 -1.165) 3.326 24.139 ( -3.082 0.457 1.165) 3.326 24.956 ( 1.186 3.337 -1.135) 3.719 24.956 ( 1.186 3.337 1.135) 3.719 25.300 ( 0.117 -8.085 -3.471) 8.799 25.300 ( 0.117 -8.085 3.471) 8.799 ======================= Grid point 259 (87/90) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.594 ( 3.564 3.959 -3.170) 6.199 3.594 ( 3.564 3.959 3.170) 6.199 3.833 ( -7.759 2.370 -1.752) 8.300 3.833 ( -7.759 2.370 1.752) 8.300 3.974 ( 0.559 14.934 -1.999) 15.078 3.974 ( 0.559 14.934 1.999) 15.078 4.180 ( -0.160 11.607 -0.521) 11.620 4.180 ( -0.160 11.607 0.521) 11.620 4.420 ( 0.430 8.165 -0.500) 8.192 4.420 ( 0.430 8.165 0.500) 8.192 4.820 ( 1.168 -11.376 -3.906) 12.085 4.820 ( 1.168 -11.376 3.906) 12.085 5.328 ( 3.353 2.647 -5.383) 6.872 5.328 ( 3.353 2.647 5.383) 6.872 5.439 ( -7.068 -2.850 -2.338) 7.971 5.439 ( -7.068 -2.850 2.338) 7.971 5.512 ( -1.014 16.227 -1.709) 16.348 5.512 ( -1.014 16.227 1.709) 16.348 6.115 ( 3.358 -6.401 -2.243) 7.569 6.115 ( 3.358 -6.401 2.243) 7.569 6.335 ( 8.604 -2.354 -1.014) 8.977 6.335 ( 8.604 -2.354 1.014) 8.977 6.551 ( -10.014 0.268 -1.217) 10.091 6.551 ( -10.014 0.268 1.217) 10.091 7.383 ( 8.660 2.666 -3.843) 9.842 7.383 ( 8.660 2.666 3.843) 9.842 7.570 ( -4.093 3.353 -3.102) 6.134 7.570 ( -4.093 3.353 3.102) 6.134 8.359 ( 3.699 2.030 -3.753) 5.647 8.359 ( 3.699 2.030 3.753) 5.647 8.557 ( -4.005 0.381 -2.640) 4.812 8.557 ( -4.005 0.381 2.640) 4.812 8.871 ( 0.697 4.835 -1.527) 5.118 8.871 ( 0.697 4.835 1.527) 5.118 9.276 ( 4.653 -8.303 -0.937) 9.564 9.276 ( 4.653 -8.303 0.937) 9.564 9.425 ( 2.635 -6.739 -4.245) 8.389 9.425 ( 2.635 -6.739 4.245) 8.389 9.553 ( -6.970 1.702 -4.513) 8.476 9.553 ( -6.970 1.702 4.513) 8.476 9.883 ( 4.599 -2.905 -4.984) 7.378 9.883 ( 4.599 -2.905 4.984) 7.378 10.167 ( -2.909 -8.575 -3.734) 9.795 10.167 ( -2.909 -8.575 3.734) 9.795 10.787 ( 2.110 3.909 -1.718) 4.763 10.787 ( 2.110 3.909 1.718) 4.763 10.993 ( -6.659 -0.395 -1.993) 6.962 10.993 ( -6.659 -0.395 1.993) 6.962 11.428 ( 1.061 1.800 -0.566) 2.165 11.428 ( 1.061 1.800 0.566) 2.165 11.680 ( -1.350 -7.953 -0.412) 8.077 11.680 ( -1.350 -7.953 0.412) 8.077 12.589 ( 1.712 7.078 -1.173) 7.376 12.589 ( 1.712 7.078 1.173) 7.376 12.761 ( -1.287 1.945 -0.590) 2.406 12.761 ( -1.287 1.945 0.590) 2.406 13.376 ( 3.507 4.181 -1.373) 5.627 13.376 ( 3.507 4.181 1.373) 5.627 13.576 ( -1.765 -3.724 -0.865) 4.211 13.576 ( -1.765 -3.724 0.865) 4.211 13.999 ( 0.760 6.670 -0.800) 6.761 13.999 ( 0.760 6.670 0.800) 6.761 14.331 ( -0.653 -7.964 -1.253) 8.088 14.331 ( -0.653 -7.964 1.253) 8.088 15.312 ( -0.025 4.962 -0.581) 4.996 15.312 ( -0.025 4.962 0.581) 4.996 15.711 ( -0.365 -13.550 -0.355) 13.560 15.711 ( -0.365 -13.550 0.355) 13.560 22.833 ( 0.558 8.442 -1.038) 8.524 22.833 ( 0.558 8.442 1.038) 8.524 22.930 ( -0.108 8.819 -0.323) 8.826 22.930 ( -0.108 8.819 0.323) 8.826 23.335 ( 7.595 -3.910 -5.556) 10.191 23.335 ( 7.595 -3.910 5.556) 10.191 23.494 ( -7.392 -2.932 -5.401) 9.613 23.494 ( -7.392 -2.932 5.401) 9.613 24.032 ( 1.359 0.765 -0.272) 1.584 24.032 ( 1.359 0.765 0.272) 1.584 24.080 ( -2.590 0.361 -0.322) 2.635 24.080 ( -2.590 0.361 0.322) 2.635 24.976 ( 0.633 4.757 -0.617) 4.838 24.976 ( 0.633 4.757 0.617) 4.838 25.302 ( 0.081 -9.181 -1.372) 9.283 25.302 ( 0.081 -9.181 1.372) 9.283 ======================= Grid point 265 (88/90) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.585 ( 0.000 0.000 0.000) 0.000 3.585 ( 0.000 0.000 0.000) 0.000 4.006 ( 0.000 0.000 -0.000) 0.000 4.006 ( 0.000 0.000 0.000) 0.000 4.178 ( 0.000 0.000 0.000) 0.000 4.178 ( 0.000 -0.000 0.000) 0.000 4.404 ( 0.000 0.000 0.000) 0.000 4.404 ( 0.000 0.000 0.000) 0.000 4.464 ( 0.000 0.000 0.000) 0.000 4.464 ( 0.000 0.000 0.000) 0.000 4.674 ( 0.000 0.000 0.000) 0.000 4.674 ( 0.000 0.000 0.000) 0.000 5.373 ( 0.000 -0.000 0.000) 0.000 5.373 ( 0.000 0.000 0.000) 0.000 5.564 ( 0.000 0.000 0.000) 0.000 5.564 ( 0.000 0.000 0.000) 0.000 5.806 ( 0.000 0.000 0.000) 0.000 5.806 ( 0.000 0.000 0.000) 0.000 5.913 ( 0.000 -0.000 0.000) 0.000 5.913 ( 0.000 0.000 0.000) 0.000 6.018 ( 0.000 -0.000 0.000) 0.000 6.018 ( 0.000 0.000 0.000) 0.000 6.889 ( 0.000 0.000 0.000) 0.000 6.889 ( 0.000 0.000 0.000) 0.000 7.177 ( 0.000 -0.000 0.000) 0.000 7.177 ( 0.000 0.000 0.000) 0.000 7.301 ( 0.000 0.000 0.000) 0.000 7.301 ( 0.000 0.000 0.000) 0.000 8.589 ( 0.000 0.000 0.000) 0.000 8.589 ( 0.000 0.000 0.000) 0.000 8.725 ( 0.000 -0.000 0.000) 0.000 8.725 ( 0.000 0.000 0.000) 0.000 8.876 ( 0.000 -0.000 0.000) 0.000 8.876 ( 0.000 0.000 0.000) 0.000 9.106 ( 0.000 -0.000 0.000) 0.000 9.106 ( 0.000 0.000 0.000) 0.000 9.127 ( 0.000 -0.000 -0.000) 0.000 9.127 ( 0.000 0.000 -0.000) 0.000 9.559 ( 0.000 0.000 0.000) 0.000 9.559 ( 0.000 0.000 0.000) 0.000 9.879 ( 0.000 0.000 0.000) 0.000 9.879 ( 0.000 0.000 0.000) 0.000 10.125 ( 0.000 0.000 0.000) 0.000 10.125 ( 0.000 0.000 0.000) 0.000 10.751 ( 0.000 0.000 0.000) 0.000 10.751 ( 0.000 0.000 0.000) 0.000 11.264 ( 0.000 0.000 0.000) 0.000 11.264 ( 0.000 0.000 0.000) 0.000 11.516 ( 0.000 -0.000 0.000) 0.000 11.516 ( 0.000 0.000 0.000) 0.000 11.555 ( 0.000 -0.000 0.000) 0.000 11.555 ( 0.000 0.000 0.000) 0.000 12.715 ( 0.000 -0.000 0.000) 0.000 12.715 ( 0.000 0.002 0.000) 0.002 12.715 ( 0.000 -0.002 -0.000) 0.002 12.715 ( 0.000 0.000 -0.000) 0.000 13.276 ( 0.000 0.000 0.000) 0.000 13.276 ( 0.000 0.000 0.000) 0.000 13.599 ( 0.000 0.000 0.000) 0.000 13.599 ( 0.000 0.000 0.000) 0.000 14.141 ( 0.000 -0.000 0.000) 0.000 14.141 ( 0.000 0.000 0.000) 0.000 14.179 ( 0.000 -0.000 0.000) 0.000 14.179 ( 0.000 0.000 0.000) 0.000 15.406 ( 0.000 0.000 0.000) 0.000 15.406 ( 0.000 0.000 0.000) 0.000 15.532 ( 0.000 -0.000 0.000) 0.000 15.532 ( 0.000 0.000 0.000) 0.000 22.922 ( 0.000 0.000 0.000) 0.000 22.922 ( 0.000 0.000 0.000) 0.000 22.993 ( 0.000 0.000 0.000) 0.000 22.993 ( 0.000 0.000 0.000) 0.000 23.147 ( 0.000 0.000 0.000) 0.000 23.147 ( 0.000 0.000 0.000) 0.000 23.621 ( 0.000 0.000 0.000) 0.000 23.621 ( 0.000 -0.000 0.000) 0.000 24.006 ( 0.000 0.000 0.000) 0.000 24.006 ( 0.000 0.000 0.000) 0.000 24.180 ( 0.000 0.000 0.000) 0.000 24.180 ( 0.000 0.000 0.000) 0.000 24.984 ( 0.000 0.000 0.000) 0.000 24.984 ( 0.000 0.000 0.000) 0.000 25.202 ( 0.000 -0.000 0.000) 0.000 25.202 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 269 (89/90) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.581 ( 0.488 0.000 0.000) 0.488 3.581 ( 0.488 0.000 0.000) 0.488 4.069 ( -10.522 0.000 -0.000) 10.522 4.069 ( -10.522 0.000 0.000) 10.522 4.072 ( 6.148 -0.000 -0.000) 6.148 4.072 ( 6.148 -0.000 0.000) 6.148 4.375 ( -2.698 0.000 0.000) 2.698 4.375 ( -2.698 0.000 0.000) 2.698 4.473 ( 1.333 0.000 0.000) 1.333 4.473 ( 1.333 0.000 0.000) 1.333 4.668 ( -0.742 0.000 0.000) 0.742 4.668 ( -0.742 0.000 0.000) 0.742 5.359 ( -1.456 -0.000 0.000) 1.456 5.359 ( -1.456 0.000 0.000) 1.456 5.496 ( -5.645 0.000 0.000) 5.645 5.496 ( -5.645 0.000 0.000) 5.645 5.821 ( 1.836 0.000 0.000) 1.836 5.821 ( 1.836 0.000 0.000) 1.836 5.972 ( -3.802 -0.000 0.000) 3.802 5.972 ( -3.802 -0.000 0.000) 3.802 6.055 ( 12.235 0.000 0.000) 12.235 6.055 ( 12.235 0.000 0.000) 12.235 6.758 ( -9.710 0.000 0.000) 9.710 6.758 ( -9.710 0.000 0.000) 9.710 7.243 ( 6.724 -0.000 0.000) 6.724 7.243 ( 6.724 0.000 0.000) 6.724 7.491 ( 12.920 -0.000 0.000) 12.920 7.491 ( 12.920 0.000 0.000) 12.920 8.450 ( -9.270 0.000 0.000) 9.270 8.450 ( -9.270 0.000 0.000) 9.270 8.681 ( -4.624 -0.000 0.000) 4.624 8.681 ( -4.624 0.000 0.000) 4.624 8.932 ( 3.759 0.000 0.000) 3.759 8.932 ( 3.759 0.000 0.000) 3.759 9.111 ( -1.625 -0.000 0.000) 1.625 9.111 ( -1.625 -0.000 0.000) 1.625 9.204 ( 8.424 0.000 0.000) 8.424 9.204 ( 8.424 0.000 0.000) 8.424 9.643 ( 8.507 -0.000 0.000) 8.507 9.643 ( 8.507 -0.000 0.000) 8.507 9.784 ( -8.625 0.000 0.000) 8.625 9.784 ( -8.625 0.000 0.000) 8.625 10.131 ( -0.707 0.000 0.000) 0.707 10.131 ( -0.707 0.000 0.000) 0.707 10.770 ( 2.070 0.000 0.000) 2.070 10.770 ( 2.070 0.000 0.000) 2.070 11.171 ( -8.888 0.000 0.000) 8.888 11.171 ( -8.888 0.000 0.000) 8.888 11.512 ( -0.189 0.000 0.000) 0.189 11.512 ( -0.189 0.000 0.000) 0.189 11.547 ( -0.782 -0.000 0.000) 0.782 11.547 ( -0.782 -0.000 0.000) 0.782 12.718 ( 0.302 -0.000 0.000) 0.302 12.718 ( 0.302 0.000 0.000) 0.302 12.720 ( 0.382 -0.000 -0.000) 0.382 12.720 ( 0.382 0.000 -0.000) 0.382 13.325 ( 4.597 0.000 0.000) 4.597 13.325 ( 4.597 0.000 0.000) 4.597 13.581 ( -1.891 0.000 0.000) 1.891 13.581 ( -1.891 0.000 0.000) 1.891 14.145 ( 0.387 -0.000 -0.000) 0.387 14.145 ( 0.387 0.000 0.000) 0.387 14.174 ( -0.417 -0.000 0.000) 0.417 14.174 ( -0.417 0.000 0.000) 0.417 15.416 ( 1.034 0.000 0.000) 1.034 15.416 ( 1.034 0.000 0.000) 1.034 15.518 ( -1.379 -0.000 0.000) 1.379 15.518 ( -1.379 0.000 0.000) 1.379 22.943 ( 1.818 0.000 0.000) 1.818 22.943 ( 1.818 0.000 0.000) 1.818 22.992 ( -0.121 0.000 0.000) 0.121 22.992 ( -0.121 0.000 0.000) 0.121 23.180 ( 3.686 0.000 0.000) 3.686 23.180 ( 3.686 0.000 0.000) 3.686 23.577 ( -4.516 0.000 0.000) 4.516 23.577 ( -4.516 0.000 0.000) 4.516 24.015 ( 0.900 0.000 0.000) 0.900 24.015 ( 0.900 0.000 0.000) 0.900 24.145 ( -3.068 -0.000 0.000) 3.068 24.145 ( -3.068 0.000 0.000) 3.068 25.016 ( 3.007 0.000 0.000) 3.007 25.016 ( 3.007 0.000 0.000) 3.007 25.188 ( -1.483 -0.000 0.000) 1.483 25.188 ( -1.483 0.000 0.000) 1.483 ======================= Grid point 273 (90/90) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.642 ( 6.514 0.000 0.000) 6.514 3.642 ( 6.514 0.000 0.000) 6.514 3.831 ( -12.502 0.000 0.000) 12.502 3.831 ( -12.502 0.000 0.000) 12.502 4.204 ( 6.602 0.000 0.000) 6.602 4.204 ( 6.602 0.000 0.000) 6.602 4.308 ( -4.319 0.000 0.000) 4.319 4.308 ( -4.319 0.000 0.000) 4.319 4.530 ( 4.679 0.000 0.000) 4.679 4.530 ( 4.679 0.000 0.000) 4.679 4.626 ( -4.107 -0.000 0.000) 4.107 4.626 ( -4.107 -0.000 0.000) 4.107 5.338 ( 0.257 0.000 0.000) 0.257 5.338 ( 0.257 0.000 0.000) 0.257 5.389 ( -4.753 -0.000 0.000) 4.753 5.389 ( -4.753 0.000 0.000) 4.753 5.863 ( 2.274 0.000 0.000) 2.274 5.863 ( 2.274 0.000 0.000) 2.274 5.908 ( -2.630 -0.000 0.000) 2.630 5.908 ( -2.630 -0.000 0.000) 2.630 6.316 ( 13.767 0.000 0.000) 13.767 6.316 ( 13.767 0.000 0.000) 13.767 6.558 ( -11.331 0.000 0.000) 11.331 6.558 ( -11.331 0.000 0.000) 11.331 7.421 ( 11.057 0.000 0.000) 11.057 7.421 ( 11.057 0.000 0.000) 11.057 7.597 ( -4.007 0.000 0.000) 4.007 7.597 ( -4.007 0.000 0.000) 4.007 8.392 ( 4.822 0.000 0.000) 4.822 8.392 ( 4.822 0.000 0.000) 4.822 8.549 ( -8.776 -0.000 0.000) 8.776 8.549 ( -8.776 0.000 0.000) 8.776 9.003 ( 3.603 0.000 0.000) 3.603 9.003 ( 3.603 0.000 0.000) 3.603 9.067 ( -2.880 -0.000 0.000) 2.880 9.067 ( -2.880 0.000 0.000) 2.880 9.384 ( 10.079 0.000 0.000) 10.079 9.384 ( 10.079 0.000 0.000) 10.079 9.589 ( -10.951 0.000 0.000) 10.951 9.589 ( -10.951 0.000 0.000) 10.951 9.855 ( 12.203 0.000 0.000) 12.203 9.855 ( 12.203 0.000 0.000) 12.203 10.056 ( -7.593 0.000 0.000) 7.593 10.056 ( -7.593 0.000 0.000) 7.593 10.837 ( 5.191 0.000 0.000) 5.191 10.837 ( 5.191 0.000 0.000) 5.191 10.979 ( -9.534 0.000 0.000) 9.534 10.979 ( -9.534 0.000 0.000) 9.534 11.514 ( 0.467 0.000 0.000) 0.467 11.514 ( 0.467 0.000 0.000) 0.467 11.529 ( -0.973 -0.000 0.000) 0.973 11.529 ( -0.973 -0.000 0.000) 0.973 12.724 ( 0.235 -0.000 0.000) 0.235 12.724 ( 0.235 0.000 -0.000) 0.235 12.725 ( 0.147 -0.000 -0.000) 0.147 12.725 ( 0.147 0.000 0.000) 0.147 13.429 ( 5.615 0.000 0.000) 5.615 13.429 ( 5.615 0.000 0.000) 5.615 13.524 ( -4.058 0.000 0.000) 4.058 13.524 ( -4.058 -0.000 0.000) 4.058 14.154 ( 0.522 -0.000 0.000) 0.522 14.154 ( 0.522 0.000 -0.000) 0.522 14.165 ( -0.545 -0.000 0.000) 0.545 14.165 ( -0.545 0.000 0.000) 0.545 15.445 ( 1.869 -0.000 0.000) 1.869 15.445 ( 1.869 0.000 0.000) 1.869 15.484 ( -2.079 -0.000 0.000) 2.079 15.484 ( -2.079 0.000 0.000) 2.079 22.974 ( 1.119 0.000 0.000) 1.119 22.974 ( 1.119 0.000 0.000) 1.119 22.987 ( -0.388 0.000 0.000) 0.388 22.987 ( -0.388 0.000 0.000) 0.388 23.293 ( 7.741 0.000 0.000) 7.741 23.293 ( 7.741 0.000 0.000) 7.741 23.453 ( -8.074 0.000 0.000) 8.074 23.453 ( -8.074 0.000 0.000) 8.074 24.040 ( 1.773 0.000 0.000) 1.773 24.040 ( 1.773 0.000 0.000) 1.773 24.084 ( -2.855 -0.000 0.000) 2.855 24.084 ( -2.855 0.000 0.000) 2.855 25.083 ( 3.612 0.000 0.000) 3.612 25.083 ( 3.612 0.000 0.000) 3.612 25.146 ( -2.791 -0.000 0.000) 2.791 25.146 ( -2.791 0.000 0.000) 2.791 =================== 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 3/33600 10.0 4340.947 3435.764 2335.538 0.000 0.000 0.000 3/33600 20.0 819.242 1053.598 902.915 0.000 0.000 0.000 3/33600 30.0 213.184 309.025 310.908 0.000 0.000 0.000 3/33600 40.0 92.300 135.326 146.731 0.000 0.000 0.000 3/33600 50.0 51.000 74.584 84.154 0.000 0.000 0.000 3/33600 60.0 32.296 47.006 54.253 0.000 0.000 0.000 3/33600 70.0 22.380 32.381 37.907 0.000 0.000 0.000 3/33600 80.0 16.551 23.790 28.117 0.000 0.000 0.000 3/33600 90.0 12.858 18.358 21.841 0.000 0.000 0.000 3/33600 100.0 10.378 14.722 17.597 0.000 0.000 0.000 3/33600 110.0 8.634 12.175 14.600 0.000 0.000 0.000 3/33600 120.0 7.359 10.321 12.405 0.000 0.000 0.000 3/33600 130.0 6.396 8.929 10.747 0.000 0.000 0.000 3/33600 140.0 5.650 7.855 9.461 0.000 0.000 0.000 3/33600 150.0 5.057 7.007 8.441 0.000 0.000 0.000 3/33600 160.0 4.577 6.323 7.615 0.000 0.000 0.000 3/33600 170.0 4.182 5.763 6.936 0.000 0.000 0.000 3/33600 180.0 3.851 5.297 6.369 0.000 0.000 0.000 3/33600 190.0 3.570 4.903 5.888 0.000 0.000 0.000 3/33600 200.0 3.329 4.567 5.477 0.000 0.000 0.000 3/33600 210.0 3.121 4.276 5.121 0.000 0.000 0.000 3/33600 220.0 2.938 4.023 4.810 0.000 0.000 0.000 3/33600 230.0 2.777 3.801 4.536 0.000 0.000 0.000 3/33600 240.0 2.633 3.604 4.293 0.000 0.000 0.000 3/33600 250.0 2.505 3.428 4.076 0.000 0.000 0.000 3/33600 260.0 2.389 3.270 3.881 0.000 0.000 0.000 3/33600 270.0 2.285 3.128 3.705 0.000 0.000 0.000 3/33600 280.0 2.190 2.998 3.544 0.000 0.000 0.000 3/33600 290.0 2.103 2.880 3.398 0.000 0.000 0.000 3/33600 300.0 2.023 2.772 3.264 0.000 0.000 0.000 3/33600 310.0 1.949 2.672 3.141 0.000 0.000 0.000 3/33600 320.0 1.881 2.580 3.028 0.000 0.000 0.000 3/33600 330.0 1.818 2.494 2.922 0.000 0.000 0.000 3/33600 340.0 1.759 2.415 2.824 0.000 0.000 0.000 3/33600 350.0 1.704 2.341 2.733 0.000 0.000 0.000 3/33600 360.0 1.652 2.272 2.648 0.000 0.000 0.000 3/33600 370.0 1.604 2.207 2.568 0.000 0.000 0.000 3/33600 380.0 1.559 2.145 2.493 0.000 0.000 0.000 3/33600 390.0 1.516 2.088 2.423 0.000 0.000 0.000 3/33600 400.0 1.476 2.034 2.356 0.000 0.000 0.000 3/33600 410.0 1.438 1.982 2.294 0.000 0.000 0.000 3/33600 420.0 1.402 1.933 2.235 0.000 0.000 0.000 3/33600 430.0 1.367 1.887 2.178 0.000 0.000 0.000 3/33600 440.0 1.335 1.843 2.125 0.000 0.000 0.000 3/33600 450.0 1.304 1.801 2.074 0.000 0.000 0.000 3/33600 460.0 1.274 1.761 2.026 0.000 0.000 0.000 3/33600 470.0 1.246 1.723 1.980 0.000 0.000 0.000 3/33600 480.0 1.219 1.687 1.936 0.000 0.000 0.000 3/33600 490.0 1.194 1.652 1.894 0.000 0.000 0.000 3/33600 500.0 1.169 1.619 1.854 0.000 0.000 0.000 3/33600 510.0 1.145 1.587 1.816 0.000 0.000 0.000 3/33600 520.0 1.123 1.556 1.779 0.000 0.000 0.000 3/33600 530.0 1.101 1.526 1.744 0.000 0.000 0.000 3/33600 540.0 1.080 1.498 1.710 0.000 0.000 0.000 3/33600 550.0 1.060 1.471 1.678 0.000 0.000 0.000 3/33600 560.0 1.041 1.444 1.646 0.000 0.000 0.000 3/33600 570.0 1.022 1.419 1.616 0.000 0.000 0.000 3/33600 580.0 1.004 1.395 1.587 0.000 0.000 0.000 3/33600 590.0 0.987 1.371 1.559 0.000 0.000 0.000 3/33600 600.0 0.970 1.348 1.533 0.000 0.000 0.000 3/33600 610.0 0.954 1.326 1.506 0.000 0.000 0.000 3/33600 620.0 0.938 1.305 1.481 0.000 0.000 0.000 3/33600 630.0 0.923 1.284 1.457 0.000 0.000 0.000 3/33600 640.0 0.909 1.264 1.434 0.000 0.000 0.000 3/33600 650.0 0.894 1.245 1.411 0.000 0.000 0.000 3/33600 660.0 0.881 1.226 1.389 0.000 0.000 0.000 3/33600 670.0 0.867 1.208 1.368 0.000 0.000 0.000 3/33600 680.0 0.854 1.190 1.347 0.000 0.000 0.000 3/33600 690.0 0.842 1.173 1.327 0.000 0.000 0.000 3/33600 700.0 0.830 1.156 1.307 0.000 0.000 0.000 3/33600 710.0 0.818 1.140 1.289 0.000 0.000 0.000 3/33600 720.0 0.807 1.124 1.270 0.000 0.000 0.000 3/33600 730.0 0.795 1.109 1.252 0.000 0.000 0.000 3/33600 740.0 0.785 1.094 1.235 0.000 0.000 0.000 3/33600 750.0 0.774 1.080 1.218 0.000 0.000 0.000 3/33600 760.0 0.764 1.066 1.202 0.000 0.000 0.000 3/33600 770.0 0.754 1.052 1.186 0.000 0.000 0.000 3/33600 780.0 0.744 1.038 1.170 0.000 0.000 0.000 3/33600 790.0 0.735 1.025 1.155 0.000 0.000 0.000 3/33600 800.0 0.725 1.013 1.141 0.000 0.000 0.000 3/33600 810.0 0.716 1.000 1.126 0.000 0.000 0.000 3/33600 820.0 0.707 0.988 1.112 0.000 0.000 0.000 3/33600 830.0 0.699 0.976 1.099 0.000 0.000 0.000 3/33600 840.0 0.691 0.965 1.085 0.000 0.000 0.000 3/33600 850.0 0.682 0.954 1.072 0.000 0.000 0.000 3/33600 860.0 0.674 0.943 1.060 0.000 0.000 0.000 3/33600 870.0 0.667 0.932 1.047 0.000 0.000 0.000 3/33600 880.0 0.659 0.921 1.035 0.000 0.000 0.000 3/33600 890.0 0.652 0.911 1.024 0.000 0.000 0.000 3/33600 900.0 0.644 0.901 1.012 0.000 0.000 0.000 3/33600 910.0 0.637 0.891 1.001 0.000 0.000 0.000 3/33600 920.0 0.630 0.881 0.990 0.000 0.000 0.000 3/33600 930.0 0.623 0.872 0.979 0.000 0.000 0.000 3/33600 940.0 0.617 0.863 0.968 0.000 0.000 0.000 3/33600 950.0 0.610 0.854 0.958 0.000 0.000 0.000 3/33600 960.0 0.604 0.845 0.948 0.000 0.000 0.000 3/33600 970.0 0.598 0.836 0.938 0.000 0.000 0.000 3/33600 980.0 0.592 0.828 0.928 0.000 0.000 0.000 3/33600 990.0 0.586 0.820 0.919 0.000 0.000 0.000 3/33600 1000.0 0.580 0.811 0.910 0.000 0.000 0.000 3/33600 Thermal conductivity related properties were written into "kappa-m5810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:09:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|