----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:05:04]------------------------- 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: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.914906539999999 -3.210169380000000 0.000000000000000 b 7.914906539999999 3.210169380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.790430439999999 Atomic positions (fractional): *1 Li 0.76964049883380 0.76964049883380 0.00000000000000 6.941 2 Li 0.23035950116620 0.23035950116620 0.50000000000000 6.941 3 Li 0.23035950116620 0.23035950116620 0.00000000000000 6.941 4 Li 0.76964049883380 0.76964049883380 0.50000000000000 6.941 *5 B 0.27171550319692 0.55342000049544 0.75000000000000 10.811 6 B 0.44657999950456 0.72828449680308 0.75000000000000 10.811 7 B 0.72828449680308 0.44657999950456 0.25000000000000 10.811 8 B 0.55342000049544 0.27171550319692 0.25000000000000 10.811 *9 S 0.47146601958866 0.92081349998804 0.75000000000000 32.065 10 S 0.07918650001196 0.52853398041134 0.75000000000000 32.065 11 S 0.92081349998804 0.47146601958866 0.25000000000000 32.065 12 S 0.52853398041134 0.07918650001196 0.25000000000000 32.065 *13 S 0.70030096182311 0.43089523770408 0.75000000000000 32.065 14 S 0.56910476229592 0.29969903817689 0.75000000000000 32.065 15 S 0.29969903817689 0.56910476229592 0.25000000000000 32.065 16 S 0.43089523770408 0.70030096182311 0.25000000000000 32.065 *17 S 0.17797867485356 0.82202132514644 0.75000000000000 32.065 18 S 0.82202132514644 0.17797867485356 0.25000000000000 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 15.829813079999997 0.000000000000000 0.000000000000000 b 0.000000000000000 6.420338759999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.790430439999999 Atomic positions (fractional): *1 Li 0.76964049883380 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.73035950116620 0.50000000000000 0.50000000000000 6.941 > 2 3 Li 0.73035950116620 0.50000000000000 0.00000000000000 6.941 > 3 4 Li 0.76964049883380 0.00000000000000 0.50000000000000 6.941 > 4 5 Li 0.26964049883380 0.50000000000000 0.00000000000000 6.941 > 1 6 Li 0.23035950116620 0.00000000000000 0.50000000000000 6.941 > 2 7 Li 0.23035950116620 0.00000000000000 0.00000000000000 6.941 > 3 8 Li 0.26964049883380 0.50000000000000 0.50000000000000 6.941 > 4 *9 B 0.91256775184618 0.64085224864926 0.75000000000000 10.811 > 5 10 B 0.58743224815382 0.14085224864926 0.75000000000000 10.811 > 6 11 B 0.58743224815382 0.85914775135074 0.25000000000000 10.811 > 7 12 B 0.91256775184618 0.35914775135074 0.25000000000000 10.811 > 8 13 B 0.41256775184618 0.14085224864926 0.75000000000000 10.811 > 5 14 B 0.08743224815382 0.64085224864926 0.75000000000000 10.811 > 6 15 B 0.08743224815382 0.35914775135074 0.25000000000000 10.811 > 7 16 B 0.41256775184618 0.85914775135074 0.25000000000000 10.811 > 8 *17 S 0.69613975978835 0.22467374019969 0.75000000000000 32.065 > 9 18 S 0.80386024021165 0.72467374019969 0.75000000000000 32.065 > 10 19 S 0.69613975978835 0.77532625980031 0.25000000000000 32.065 > 11 20 S 0.80386024021165 0.27532625980031 0.25000000000000 32.065 > 12 *21 S 0.56559809976360 0.86529713794049 0.75000000000000 32.065 > 13 22 S 0.93440190023640 0.36529713794049 0.75000000000000 32.065 > 14 23 S 0.93440190023640 0.63470286205951 0.25000000000000 32.065 > 15 24 S 0.56559809976360 0.13470286205952 0.25000000000000 32.065 > 16 *25 S 0.00000000000000 0.82202132514644 0.75000000000000 32.065 > 17 26 S 0.00000000000000 0.17797867485356 0.25000000000000 32.065 > 18 27 S 0.19613975978835 0.72467374019969 0.75000000000000 32.065 > 9 28 S 0.30386024021165 0.22467374019969 0.75000000000000 32.065 > 10 29 S 0.19613975978835 0.27532625980031 0.25000000000000 32.065 > 11 30 S 0.30386024021165 0.77532625980031 0.25000000000000 32.065 > 12 31 S 0.06559809976360 0.36529713794049 0.75000000000000 32.065 > 13 32 S 0.43440190023640 0.86529713794049 0.75000000000000 32.065 > 14 33 S 0.43440190023640 0.13470286205952 0.25000000000000 32.065 > 15 34 S 0.06559809976360 0.63470286205951 0.25000000000000 32.065 > 16 35 S 0.50000000000000 0.32202132514644 0.75000000000000 32.065 > 17 36 S 0.50000000000000 0.67797867485356 0.25000000000000 32.065 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.829813079999997 0.000000000000000 0.000000000000000 b 0.000000000000000 12.840677519999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.580860879999998 Atomic positions (fractional): *1 Li 0.76964049883380 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.76964049883380 0.50000000000000 0.00000000000000 6.941 > 1 3 Li 0.76964049883380 0.00000000000000 0.50000000000000 6.941 > 1 4 Li 0.76964049883380 0.50000000000000 0.50000000000000 6.941 > 1 5 Li 0.73035950116620 0.25000000000000 0.25000000000000 6.941 > 2 6 Li 0.73035950116620 0.75000000000000 0.25000000000000 6.941 > 2 7 Li 0.73035950116620 0.25000000000000 0.75000000000000 6.941 > 2 8 Li 0.73035950116620 0.75000000000000 0.75000000000000 6.941 > 2 9 Li 0.73035950116620 0.25000000000000 0.00000000000000 6.941 > 3 10 Li 0.73035950116620 0.75000000000000 0.00000000000000 6.941 > 3 11 Li 0.73035950116620 0.25000000000000 0.50000000000000 6.941 > 3 12 Li 0.73035950116620 0.75000000000000 0.50000000000000 6.941 > 3 13 Li 0.76964049883380 0.00000000000000 0.25000000000000 6.941 > 4 14 Li 0.76964049883380 0.50000000000000 0.25000000000000 6.941 > 4 15 Li 0.76964049883380 0.00000000000000 0.75000000000000 6.941 > 4 16 Li 0.76964049883380 0.50000000000000 0.75000000000000 6.941 > 4 17 Li 0.26964049883380 0.25000000000000 0.00000000000000 6.941 > 1 18 Li 0.26964049883380 0.75000000000000 0.00000000000000 6.941 > 1 19 Li 0.26964049883380 0.25000000000000 0.50000000000000 6.941 > 1 20 Li 0.26964049883380 0.75000000000000 0.50000000000000 6.941 > 1 21 Li 0.23035950116620 0.00000000000000 0.25000000000000 6.941 > 2 22 Li 0.23035950116620 0.50000000000000 0.25000000000000 6.941 > 2 23 Li 0.23035950116620 0.00000000000000 0.75000000000000 6.941 > 2 24 Li 0.23035950116620 0.50000000000000 0.75000000000000 6.941 > 2 25 Li 0.23035950116620 0.00000000000000 0.00000000000000 6.941 > 3 26 Li 0.23035950116620 0.50000000000000 0.00000000000000 6.941 > 3 27 Li 0.23035950116620 0.00000000000000 0.50000000000000 6.941 > 3 28 Li 0.23035950116620 0.50000000000000 0.50000000000000 6.941 > 3 29 Li 0.26964049883380 0.25000000000000 0.25000000000000 6.941 > 4 30 Li 0.26964049883380 0.75000000000000 0.25000000000000 6.941 > 4 31 Li 0.26964049883380 0.25000000000000 0.75000000000000 6.941 > 4 32 Li 0.26964049883380 0.75000000000000 0.75000000000000 6.941 > 4 *33 B 0.91256775184618 0.32042612432463 0.37500000000000 10.811 > 5 34 B 0.91256775184618 0.82042612432463 0.37500000000000 10.811 > 5 35 B 0.91256775184618 0.32042612432463 0.87500000000000 10.811 > 5 36 B 0.91256775184618 0.82042612432463 0.87500000000000 10.811 > 5 37 B 0.58743224815382 0.07042612432463 0.37500000000000 10.811 > 6 38 B 0.58743224815382 0.57042612432463 0.37500000000000 10.811 > 6 39 B 0.58743224815382 0.07042612432463 0.87500000000000 10.811 > 6 40 B 0.58743224815382 0.57042612432463 0.87500000000000 10.811 > 6 41 B 0.58743224815382 0.42957387567537 0.12500000000000 10.811 > 7 42 B 0.58743224815382 0.92957387567537 0.12500000000000 10.811 > 7 43 B 0.58743224815382 0.42957387567537 0.62500000000000 10.811 > 7 44 B 0.58743224815382 0.92957387567537 0.62500000000000 10.811 > 7 45 B 0.91256775184618 0.17957387567537 0.12500000000000 10.811 > 8 46 B 0.91256775184618 0.67957387567537 0.12500000000000 10.811 > 8 47 B 0.91256775184618 0.17957387567537 0.62500000000000 10.811 > 8 48 B 0.91256775184618 0.67957387567537 0.62500000000000 10.811 > 8 49 B 0.41256775184618 0.07042612432463 0.37500000000000 10.811 > 5 50 B 0.41256775184618 0.57042612432463 0.37500000000000 10.811 > 5 51 B 0.41256775184618 0.07042612432463 0.87500000000000 10.811 > 5 52 B 0.41256775184618 0.57042612432463 0.87500000000000 10.811 > 5 53 B 0.08743224815382 0.32042612432463 0.37500000000000 10.811 > 6 54 B 0.08743224815382 0.82042612432463 0.37500000000000 10.811 > 6 55 B 0.08743224815382 0.32042612432463 0.87500000000000 10.811 > 6 56 B 0.08743224815382 0.82042612432463 0.87500000000000 10.811 > 6 57 B 0.08743224815382 0.17957387567537 0.12500000000000 10.811 > 7 58 B 0.08743224815382 0.67957387567537 0.12500000000000 10.811 > 7 59 B 0.08743224815382 0.17957387567537 0.62500000000000 10.811 > 7 60 B 0.08743224815382 0.67957387567537 0.62500000000000 10.811 > 7 61 B 0.41256775184618 0.42957387567537 0.12500000000000 10.811 > 8 62 B 0.41256775184618 0.92957387567537 0.12500000000000 10.811 > 8 63 B 0.41256775184618 0.42957387567537 0.62500000000000 10.811 > 8 64 B 0.41256775184618 0.92957387567537 0.62500000000000 10.811 > 8 *65 S 0.69613975978835 0.11233687009985 0.37500000000000 32.065 > 9 66 S 0.69613975978835 0.61233687009985 0.37500000000000 32.065 > 9 67 S 0.69613975978835 0.11233687009985 0.87500000000000 32.065 > 9 68 S 0.69613975978835 0.61233687009985 0.87500000000000 32.065 > 9 69 S 0.80386024021165 0.36233687009985 0.37500000000000 32.065 > 10 70 S 0.80386024021165 0.86233687009985 0.37500000000000 32.065 > 10 71 S 0.80386024021165 0.36233687009985 0.87500000000000 32.065 > 10 72 S 0.80386024021165 0.86233687009985 0.87500000000000 32.065 > 10 73 S 0.69613975978835 0.38766312990015 0.12500000000000 32.065 > 11 74 S 0.69613975978835 0.88766312990015 0.12500000000000 32.065 > 11 75 S 0.69613975978835 0.38766312990015 0.62500000000000 32.065 > 11 76 S 0.69613975978835 0.88766312990015 0.62500000000000 32.065 > 11 77 S 0.80386024021165 0.13766312990015 0.12500000000000 32.065 > 12 78 S 0.80386024021165 0.63766312990015 0.12500000000000 32.065 > 12 79 S 0.80386024021165 0.13766312990015 0.62500000000000 32.065 > 12 80 S 0.80386024021165 0.63766312990015 0.62500000000000 32.065 > 12 *81 S 0.56559809976360 0.43264856897024 0.37500000000000 32.065 > 13 82 S 0.56559809976360 0.93264856897024 0.37500000000000 32.065 > 13 83 S 0.56559809976360 0.43264856897024 0.87500000000000 32.065 > 13 84 S 0.56559809976360 0.93264856897024 0.87500000000000 32.065 > 13 85 S 0.93440190023640 0.18264856897024 0.37500000000000 32.065 > 14 86 S 0.93440190023640 0.68264856897024 0.37500000000000 32.065 > 14 87 S 0.93440190023640 0.18264856897024 0.87500000000000 32.065 > 14 88 S 0.93440190023640 0.68264856897024 0.87500000000000 32.065 > 14 89 S 0.93440190023640 0.31735143102976 0.12500000000000 32.065 > 15 90 S 0.93440190023640 0.81735143102976 0.12500000000000 32.065 > 15 91 S 0.93440190023640 0.31735143102976 0.62500000000000 32.065 > 15 92 S 0.93440190023640 0.81735143102976 0.62500000000000 32.065 > 15 93 S 0.56559809976360 0.06735143102976 0.12500000000000 32.065 > 16 94 S 0.56559809976360 0.56735143102976 0.12500000000000 32.065 > 16 95 S 0.56559809976360 0.06735143102976 0.62500000000000 32.065 > 16 96 S 0.56559809976360 0.56735143102976 0.62500000000000 32.065 > 16 *97 S 0.00000000000000 0.41101066257322 0.37500000000000 32.065 > 17 98 S 0.00000000000000 0.91101066257322 0.37500000000000 32.065 > 17 99 S 0.00000000000000 0.41101066257322 0.87500000000000 32.065 > 17 100 S 0.00000000000000 0.91101066257322 0.87500000000000 32.065 > 17 101 S 0.00000000000000 0.08898933742678 0.12500000000000 32.065 > 18 102 S 0.00000000000000 0.58898933742678 0.12500000000000 32.065 > 18 103 S 0.00000000000000 0.08898933742678 0.62500000000000 32.065 > 18 104 S 0.00000000000000 0.58898933742678 0.62500000000000 32.065 > 18 105 S 0.19613975978835 0.36233687009985 0.37500000000000 32.065 > 9 106 S 0.19613975978835 0.86233687009985 0.37500000000000 32.065 > 9 107 S 0.19613975978835 0.36233687009985 0.87500000000000 32.065 > 9 108 S 0.19613975978835 0.86233687009985 0.87500000000000 32.065 > 9 109 S 0.30386024021165 0.11233687009985 0.37500000000000 32.065 > 10 110 S 0.30386024021165 0.61233687009985 0.37500000000000 32.065 > 10 111 S 0.30386024021165 0.11233687009985 0.87500000000000 32.065 > 10 112 S 0.30386024021165 0.61233687009985 0.87500000000000 32.065 > 10 113 S 0.19613975978835 0.13766312990015 0.12500000000000 32.065 > 11 114 S 0.19613975978835 0.63766312990015 0.12500000000000 32.065 > 11 115 S 0.19613975978835 0.13766312990015 0.62500000000000 32.065 > 11 116 S 0.19613975978835 0.63766312990015 0.62500000000000 32.065 > 11 117 S 0.30386024021165 0.38766312990015 0.12500000000000 32.065 > 12 118 S 0.30386024021165 0.88766312990015 0.12500000000000 32.065 > 12 119 S 0.30386024021165 0.38766312990015 0.62500000000000 32.065 > 12 120 S 0.30386024021165 0.88766312990015 0.62500000000000 32.065 > 12 121 S 0.06559809976360 0.18264856897024 0.37500000000000 32.065 > 13 122 S 0.06559809976360 0.68264856897024 0.37500000000000 32.065 > 13 123 S 0.06559809976360 0.18264856897024 0.87500000000000 32.065 > 13 124 S 0.06559809976360 0.68264856897024 0.87500000000000 32.065 > 13 125 S 0.43440190023640 0.43264856897024 0.37500000000000 32.065 > 14 126 S 0.43440190023640 0.93264856897024 0.37500000000000 32.065 > 14 127 S 0.43440190023640 0.43264856897024 0.87500000000000 32.065 > 14 128 S 0.43440190023640 0.93264856897024 0.87500000000000 32.065 > 14 129 S 0.43440190023640 0.06735143102976 0.12500000000000 32.065 > 15 130 S 0.43440190023640 0.56735143102976 0.12500000000000 32.065 > 15 131 S 0.43440190023640 0.06735143102976 0.62500000000000 32.065 > 15 132 S 0.43440190023640 0.56735143102976 0.62500000000000 32.065 > 15 133 S 0.06559809976360 0.31735143102976 0.12500000000000 32.065 > 16 134 S 0.06559809976360 0.81735143102976 0.12500000000000 32.065 > 16 135 S 0.06559809976360 0.31735143102976 0.62500000000000 32.065 > 16 136 S 0.06559809976360 0.81735143102976 0.62500000000000 32.065 > 16 137 S 0.50000000000000 0.16101066257322 0.37500000000000 32.065 > 17 138 S 0.50000000000000 0.66101066257322 0.37500000000000 32.065 > 17 139 S 0.50000000000000 0.16101066257322 0.87500000000000 32.065 > 17 140 S 0.50000000000000 0.66101066257322 0.87500000000000 32.065 > 17 141 S 0.50000000000000 0.33898933742678 0.12500000000000 32.065 > 18 142 S 0.50000000000000 0.83898933742678 0.12500000000000 32.065 > 18 143 S 0.50000000000000 0.33898933742678 0.62500000000000 32.065 > 18 144 S 0.50000000000000 0.83898933742678 0.62500000000000 32.065 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2782834 0.0000000 0.0000000 0.0000000 4.0269259 0.0000000 0.0000000 0.0000000 3.6199797 -------------------------- Born effective charges -------------------------- 1 Li 1.1693504 0.0000000 0.0000000 0.0000000 1.1725205 0.2291276 0.0000000 0.0612673 1.1727797 2 Li 1.1693504 0.0000000 0.0000000 0.0000000 1.1725205 -0.2291276 0.0000000 -0.0612673 1.1727797 3 Li 1.1693504 0.0000000 0.0000000 0.0000000 1.1725205 0.2291276 0.0000000 0.0612673 1.1727797 4 Li 1.1693504 0.0000000 0.0000000 0.0000000 1.1725205 -0.2291276 0.0000000 -0.0612673 1.1727797 5 B 2.4389366 -0.3716945 0.0000000 -0.2767420 0.9843588 0.0000000 0.0000000 0.0000000 0.4322990 6 B 2.4389366 0.3716945 0.0000000 0.2767420 0.9843588 0.0000000 0.0000000 0.0000000 0.4322990 7 B 2.4389366 -0.3716945 0.0000000 -0.2767420 0.9843588 0.0000000 0.0000000 0.0000000 0.4322990 8 B 2.4389366 0.3716945 0.0000000 0.2767420 0.9843588 0.0000000 0.0000000 0.0000000 0.4322990 9 S -2.4537975 -0.5501780 0.0000000 -0.4500692 -1.2405400 0.0000000 0.0000000 0.0000000 -1.1231527 10 S -2.4537975 0.5501780 0.0000000 0.4500692 -1.2405400 0.0000000 0.0000000 0.0000000 -1.1231527 11 S -2.4537975 0.5501780 0.0000000 0.4500692 -1.2405400 0.0000000 0.0000000 0.0000000 -1.1231527 12 S -2.4537975 -0.5501780 0.0000000 -0.4500692 -1.2405400 0.0000000 0.0000000 0.0000000 -1.1231527 13 S -0.2935957 -0.3175953 0.0000000 0.1755274 -0.6970002 0.0000000 0.0000000 0.0000000 -0.3545428 14 S -0.2935957 0.3175953 0.0000000 -0.1755274 -0.6970002 0.0000000 0.0000000 0.0000000 -0.3545428 15 S -0.2935957 -0.3175953 0.0000000 0.1755274 -0.6970002 0.0000000 0.0000000 0.0000000 -0.3545428 16 S -0.2935957 0.3175953 0.0000000 -0.1755274 -0.6970002 0.0000000 0.0000000 0.0000000 -0.3545428 17 S -1.7217876 0.0000000 0.0000000 0.0000000 -0.4386781 0.0000000 0.0000000 0.0000000 -0.2547665 18 S -1.7217876 0.0000000 0.0000000 0.0000000 -0.4386781 0.0000000 0.0000000 0.0000000 -0.2547665 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 14256/14256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1620 Number of blocks in projector: 1620 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: 412 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 252 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 252 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 252 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 220 Use standard eigh solver. Tree of FC basis block matrices: - (1620, 1597), data: False |-- (220, 220), data: True |-- (232, 230), data: True |-- (252, 247), data: True |-- (252, 247), data: True |-- (252, 247), data: True |-- (412, 406), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 320 - Time: 2.934 Solver_block: 200 / 320 - Time: 2.975 Solver_block: 300 / 320 - Time: 2.958 Solver_block: 320 / 320 - Time: 0.700 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.610 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 14256/14256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1620 Number of blocks in projector: 1620 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: 412 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 252 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 252 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 252 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 220 Use standard eigh solver. Tree of FC basis block matrices: - (1620, 1597), data: False |-- (220, 220), data: True |-- (232, 230), data: True |-- (252, 247), data: True |-- (252, 247), data: True |-- (252, 247), data: True |-- (412, 406), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:05:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:05:31]------------------------- 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: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.914906539999999 -3.210169380000000 0.000000000000000 b 7.914906539999999 3.210169380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.790430439999999 Atomic positions (fractional): 1 Li 0.76964049883380 0.76964049883380 0.00000000000000 6.941 2 Li 0.23035950116620 0.23035950116620 0.50000000000000 6.941 3 Li 0.23035950116620 0.23035950116620 0.00000000000000 6.941 4 Li 0.76964049883380 0.76964049883380 0.50000000000000 6.941 5 B 0.27171550319692 0.55342000049544 0.75000000000000 10.811 6 B 0.44657999950456 0.72828449680308 0.75000000000000 10.811 7 B 0.72828449680308 0.44657999950456 0.25000000000000 10.811 8 B 0.55342000049544 0.27171550319692 0.25000000000000 10.811 9 S 0.47146601958866 0.92081349998804 0.75000000000000 32.065 10 S 0.07918650001196 0.52853398041134 0.75000000000000 32.065 11 S 0.92081349998804 0.47146601958866 0.25000000000000 32.065 12 S 0.52853398041134 0.07918650001196 0.25000000000000 32.065 13 S 0.70030096182311 0.43089523770408 0.75000000000000 32.065 14 S 0.56910476229592 0.29969903817689 0.75000000000000 32.065 15 S 0.29969903817689 0.56910476229592 0.25000000000000 32.065 16 S 0.43089523770408 0.70030096182311 0.25000000000000 32.065 17 S 0.17797867485356 0.82202132514644 0.75000000000000 32.065 18 S 0.82202132514644 0.17797867485356 0.25000000000000 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.829813079999997 0.000000000000000 0.000000000000000 b 0.000000000000000 12.840677519999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.580860879999998 Atomic positions (fractional): 1 Li 0.76964049883380 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.76964049883380 0.50000000000000 0.00000000000000 6.941 > 1 3 Li 0.76964049883380 0.00000000000000 0.50000000000000 6.941 > 1 4 Li 0.76964049883380 0.50000000000000 0.50000000000000 6.941 > 1 5 Li 0.73035950116620 0.25000000000000 0.25000000000000 6.941 > 5 6 Li 0.73035950116620 0.75000000000000 0.25000000000000 6.941 > 5 7 Li 0.73035950116620 0.25000000000000 0.75000000000000 6.941 > 5 8 Li 0.73035950116620 0.75000000000000 0.75000000000000 6.941 > 5 9 Li 0.73035950116620 0.25000000000000 0.00000000000000 6.941 > 9 10 Li 0.73035950116620 0.75000000000000 0.00000000000000 6.941 > 9 11 Li 0.73035950116620 0.25000000000000 0.50000000000000 6.941 > 9 12 Li 0.73035950116620 0.75000000000000 0.50000000000000 6.941 > 9 13 Li 0.76964049883380 0.00000000000000 0.25000000000000 6.941 > 13 14 Li 0.76964049883380 0.50000000000000 0.25000000000000 6.941 > 13 15 Li 0.76964049883380 0.00000000000000 0.75000000000000 6.941 > 13 16 Li 0.76964049883380 0.50000000000000 0.75000000000000 6.941 > 13 17 Li 0.26964049883380 0.25000000000000 0.00000000000000 6.941 > 1 18 Li 0.26964049883380 0.75000000000000 0.00000000000000 6.941 > 1 19 Li 0.26964049883380 0.25000000000000 0.50000000000000 6.941 > 1 20 Li 0.26964049883380 0.75000000000000 0.50000000000000 6.941 > 1 21 Li 0.23035950116620 0.00000000000000 0.25000000000000 6.941 > 5 22 Li 0.23035950116620 0.50000000000000 0.25000000000000 6.941 > 5 23 Li 0.23035950116620 0.00000000000000 0.75000000000000 6.941 > 5 24 Li 0.23035950116620 0.50000000000000 0.75000000000000 6.941 > 5 25 Li 0.23035950116620 0.00000000000000 0.00000000000000 6.941 > 9 26 Li 0.23035950116620 0.50000000000000 0.00000000000000 6.941 > 9 27 Li 0.23035950116620 0.00000000000000 0.50000000000000 6.941 > 9 28 Li 0.23035950116620 0.50000000000000 0.50000000000000 6.941 > 9 29 Li 0.26964049883380 0.25000000000000 0.25000000000000 6.941 > 13 30 Li 0.26964049883380 0.75000000000000 0.25000000000000 6.941 > 13 31 Li 0.26964049883380 0.25000000000000 0.75000000000000 6.941 > 13 32 Li 0.26964049883380 0.75000000000000 0.75000000000000 6.941 > 13 33 B 0.91256775184618 0.32042612432463 0.37500000000000 10.811 > 33 34 B 0.91256775184618 0.82042612432463 0.37500000000000 10.811 > 33 35 B 0.91256775184618 0.32042612432463 0.87500000000000 10.811 > 33 36 B 0.91256775184618 0.82042612432463 0.87500000000000 10.811 > 33 37 B 0.58743224815382 0.07042612432463 0.37500000000000 10.811 > 37 38 B 0.58743224815382 0.57042612432463 0.37500000000000 10.811 > 37 39 B 0.58743224815382 0.07042612432463 0.87500000000000 10.811 > 37 40 B 0.58743224815382 0.57042612432463 0.87500000000000 10.811 > 37 41 B 0.58743224815382 0.42957387567537 0.12500000000000 10.811 > 41 42 B 0.58743224815382 0.92957387567537 0.12500000000000 10.811 > 41 43 B 0.58743224815382 0.42957387567537 0.62500000000000 10.811 > 41 44 B 0.58743224815382 0.92957387567537 0.62500000000000 10.811 > 41 45 B 0.91256775184618 0.17957387567537 0.12500000000000 10.811 > 45 46 B 0.91256775184618 0.67957387567537 0.12500000000000 10.811 > 45 47 B 0.91256775184618 0.17957387567537 0.62500000000000 10.811 > 45 48 B 0.91256775184618 0.67957387567537 0.62500000000000 10.811 > 45 49 B 0.41256775184618 0.07042612432463 0.37500000000000 10.811 > 33 50 B 0.41256775184618 0.57042612432463 0.37500000000000 10.811 > 33 51 B 0.41256775184618 0.07042612432463 0.87500000000000 10.811 > 33 52 B 0.41256775184618 0.57042612432463 0.87500000000000 10.811 > 33 53 B 0.08743224815382 0.32042612432463 0.37500000000000 10.811 > 37 54 B 0.08743224815382 0.82042612432463 0.37500000000000 10.811 > 37 55 B 0.08743224815382 0.32042612432463 0.87500000000000 10.811 > 37 56 B 0.08743224815382 0.82042612432463 0.87500000000000 10.811 > 37 57 B 0.08743224815382 0.17957387567537 0.12500000000000 10.811 > 41 58 B 0.08743224815382 0.67957387567537 0.12500000000000 10.811 > 41 59 B 0.08743224815382 0.17957387567537 0.62500000000000 10.811 > 41 60 B 0.08743224815382 0.67957387567537 0.62500000000000 10.811 > 41 61 B 0.41256775184618 0.42957387567537 0.12500000000000 10.811 > 45 62 B 0.41256775184618 0.92957387567537 0.12500000000000 10.811 > 45 63 B 0.41256775184618 0.42957387567537 0.62500000000000 10.811 > 45 64 B 0.41256775184618 0.92957387567537 0.62500000000000 10.811 > 45 65 S 0.69613975978835 0.11233687009985 0.37500000000000 32.065 > 65 66 S 0.69613975978835 0.61233687009985 0.37500000000000 32.065 > 65 67 S 0.69613975978835 0.11233687009985 0.87500000000000 32.065 > 65 68 S 0.69613975978835 0.61233687009985 0.87500000000000 32.065 > 65 69 S 0.80386024021165 0.36233687009985 0.37500000000000 32.065 > 69 70 S 0.80386024021165 0.86233687009985 0.37500000000000 32.065 > 69 71 S 0.80386024021165 0.36233687009985 0.87500000000000 32.065 > 69 72 S 0.80386024021165 0.86233687009985 0.87500000000000 32.065 > 69 73 S 0.69613975978835 0.38766312990015 0.12500000000000 32.065 > 73 74 S 0.69613975978835 0.88766312990015 0.12500000000000 32.065 > 73 75 S 0.69613975978835 0.38766312990015 0.62500000000000 32.065 > 73 76 S 0.69613975978835 0.88766312990015 0.62500000000000 32.065 > 73 77 S 0.80386024021165 0.13766312990015 0.12500000000000 32.065 > 77 78 S 0.80386024021165 0.63766312990015 0.12500000000000 32.065 > 77 79 S 0.80386024021165 0.13766312990015 0.62500000000000 32.065 > 77 80 S 0.80386024021165 0.63766312990015 0.62500000000000 32.065 > 77 81 S 0.56559809976360 0.43264856897024 0.37500000000000 32.065 > 81 82 S 0.56559809976360 0.93264856897024 0.37500000000000 32.065 > 81 83 S 0.56559809976360 0.43264856897024 0.87500000000000 32.065 > 81 84 S 0.56559809976360 0.93264856897024 0.87500000000000 32.065 > 81 85 S 0.93440190023640 0.18264856897024 0.37500000000000 32.065 > 85 86 S 0.93440190023640 0.68264856897024 0.37500000000000 32.065 > 85 87 S 0.93440190023640 0.18264856897024 0.87500000000000 32.065 > 85 88 S 0.93440190023640 0.68264856897024 0.87500000000000 32.065 > 85 89 S 0.93440190023640 0.31735143102976 0.12500000000000 32.065 > 89 90 S 0.93440190023640 0.81735143102976 0.12500000000000 32.065 > 89 91 S 0.93440190023640 0.31735143102976 0.62500000000000 32.065 > 89 92 S 0.93440190023640 0.81735143102976 0.62500000000000 32.065 > 89 93 S 0.56559809976360 0.06735143102976 0.12500000000000 32.065 > 93 94 S 0.56559809976360 0.56735143102976 0.12500000000000 32.065 > 93 95 S 0.56559809976360 0.06735143102976 0.62500000000000 32.065 > 93 96 S 0.56559809976360 0.56735143102976 0.62500000000000 32.065 > 93 97 S 0.00000000000000 0.41101066257322 0.37500000000000 32.065 > 97 98 S 0.00000000000000 0.91101066257322 0.37500000000000 32.065 > 97 99 S 0.00000000000000 0.41101066257322 0.87500000000000 32.065 > 97 100 S 0.00000000000000 0.91101066257322 0.87500000000000 32.065 > 97 101 S 0.00000000000000 0.08898933742678 0.12500000000000 32.065 > 101 102 S 0.00000000000000 0.58898933742678 0.12500000000000 32.065 > 101 103 S 0.00000000000000 0.08898933742678 0.62500000000000 32.065 > 101 104 S 0.00000000000000 0.58898933742678 0.62500000000000 32.065 > 101 105 S 0.19613975978835 0.36233687009985 0.37500000000000 32.065 > 65 106 S 0.19613975978835 0.86233687009985 0.37500000000000 32.065 > 65 107 S 0.19613975978835 0.36233687009985 0.87500000000000 32.065 > 65 108 S 0.19613975978835 0.86233687009985 0.87500000000000 32.065 > 65 109 S 0.30386024021165 0.11233687009985 0.37500000000000 32.065 > 69 110 S 0.30386024021165 0.61233687009985 0.37500000000000 32.065 > 69 111 S 0.30386024021165 0.11233687009985 0.87500000000000 32.065 > 69 112 S 0.30386024021165 0.61233687009985 0.87500000000000 32.065 > 69 113 S 0.19613975978835 0.13766312990015 0.12500000000000 32.065 > 73 114 S 0.19613975978835 0.63766312990015 0.12500000000000 32.065 > 73 115 S 0.19613975978835 0.13766312990015 0.62500000000000 32.065 > 73 116 S 0.19613975978835 0.63766312990015 0.62500000000000 32.065 > 73 117 S 0.30386024021165 0.38766312990015 0.12500000000000 32.065 > 77 118 S 0.30386024021165 0.88766312990015 0.12500000000000 32.065 > 77 119 S 0.30386024021165 0.38766312990015 0.62500000000000 32.065 > 77 120 S 0.30386024021165 0.88766312990015 0.62500000000000 32.065 > 77 121 S 0.06559809976360 0.18264856897024 0.37500000000000 32.065 > 81 122 S 0.06559809976360 0.68264856897024 0.37500000000000 32.065 > 81 123 S 0.06559809976360 0.18264856897024 0.87500000000000 32.065 > 81 124 S 0.06559809976360 0.68264856897024 0.87500000000000 32.065 > 81 125 S 0.43440190023640 0.43264856897024 0.37500000000000 32.065 > 85 126 S 0.43440190023640 0.93264856897024 0.37500000000000 32.065 > 85 127 S 0.43440190023640 0.43264856897024 0.87500000000000 32.065 > 85 128 S 0.43440190023640 0.93264856897024 0.87500000000000 32.065 > 85 129 S 0.43440190023640 0.06735143102976 0.12500000000000 32.065 > 89 130 S 0.43440190023640 0.56735143102976 0.12500000000000 32.065 > 89 131 S 0.43440190023640 0.06735143102976 0.62500000000000 32.065 > 89 132 S 0.43440190023640 0.56735143102976 0.62500000000000 32.065 > 89 133 S 0.06559809976360 0.31735143102976 0.12500000000000 32.065 > 93 134 S 0.06559809976360 0.81735143102976 0.12500000000000 32.065 > 93 135 S 0.06559809976360 0.31735143102976 0.62500000000000 32.065 > 93 136 S 0.06559809976360 0.81735143102976 0.62500000000000 32.065 > 93 137 S 0.50000000000000 0.16101066257322 0.37500000000000 32.065 > 97 138 S 0.50000000000000 0.66101066257322 0.37500000000000 32.065 > 97 139 S 0.50000000000000 0.16101066257322 0.87500000000000 32.065 > 97 140 S 0.50000000000000 0.66101066257322 0.87500000000000 32.065 > 97 141 S 0.50000000000000 0.33898933742678 0.12500000000000 32.065 > 101 142 S 0.50000000000000 0.83898933742678 0.12500000000000 32.065 > 101 143 S 0.50000000000000 0.33898933742678 0.62500000000000 32.065 > 101 144 S 0.50000000000000 0.83898933742678 0.62500000000000 32.065 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2782834 0.0000000 0.0000000 0.0000000 4.0269259 0.0000000 0.0000000 0.0000000 3.6199797 -------------------------- Born effective charges -------------------------- 1 Li 1.1693504 0.0000000 0.0000000 0.0000000 1.1725205 0.2291276 0.0000000 0.0612673 1.1727797 2 Li 1.1693504 0.0000000 0.0000000 0.0000000 1.1725205 -0.2291276 0.0000000 -0.0612673 1.1727797 3 Li 1.1693504 0.0000000 0.0000000 0.0000000 1.1725205 0.2291276 0.0000000 0.0612673 1.1727797 4 Li 1.1693504 0.0000000 0.0000000 0.0000000 1.1725205 -0.2291276 0.0000000 -0.0612673 1.1727797 5 B 2.4389366 -0.3716945 0.0000000 -0.2767420 0.9843588 0.0000000 0.0000000 0.0000000 0.4322990 6 B 2.4389366 0.3716945 0.0000000 0.2767420 0.9843588 0.0000000 0.0000000 0.0000000 0.4322990 7 B 2.4389366 -0.3716945 0.0000000 -0.2767420 0.9843588 0.0000000 0.0000000 0.0000000 0.4322990 8 B 2.4389366 0.3716945 0.0000000 0.2767420 0.9843588 0.0000000 0.0000000 0.0000000 0.4322990 9 S -2.4537975 -0.5501780 0.0000000 -0.4500692 -1.2405400 0.0000000 0.0000000 0.0000000 -1.1231527 10 S -2.4537975 0.5501780 0.0000000 0.4500692 -1.2405400 0.0000000 0.0000000 0.0000000 -1.1231527 11 S -2.4537975 0.5501780 0.0000000 0.4500692 -1.2405400 0.0000000 0.0000000 0.0000000 -1.1231527 12 S -2.4537975 -0.5501780 0.0000000 -0.4500692 -1.2405400 0.0000000 0.0000000 0.0000000 -1.1231527 13 S -0.2935957 -0.3175953 0.0000000 0.1755274 -0.6970002 0.0000000 0.0000000 0.0000000 -0.3545428 14 S -0.2935957 0.3175953 0.0000000 -0.1755274 -0.6970002 0.0000000 0.0000000 0.0000000 -0.3545428 15 S -0.2935957 -0.3175953 0.0000000 0.1755274 -0.6970002 0.0000000 0.0000000 0.0000000 -0.3545428 16 S -0.2935957 0.3175953 0.0000000 -0.1755274 -0.6970002 0.0000000 0.0000000 0.0000000 -0.3545428 17 S -1.7217876 0.0000000 0.0000000 0.0000000 -0.4386781 0.0000000 0.0000000 0.0000000 -0.2547665 18 S -1.7217876 0.0000000 0.0000000 0.0000000 -0.4386781 0.0000000 0.0000000 0.0000000 -0.2547665 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xy) -0.00000001 (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 2026-01-08 08:05:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:05:57]------------------------- 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: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.914906539999999 -3.210169380000000 0.000000000000000 b 7.914906539999999 3.210169380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.790430439999999 Atomic positions (fractional): 1 Li 0.76964049883380 0.76964049883380 0.00000000000000 6.941 2 Li 0.23035950116620 0.23035950116620 0.50000000000000 6.941 3 Li 0.23035950116620 0.23035950116620 0.00000000000000 6.941 4 Li 0.76964049883380 0.76964049883380 0.50000000000000 6.941 5 B 0.27171550319692 0.55342000049544 0.75000000000000 10.811 6 B 0.44657999950456 0.72828449680308 0.75000000000000 10.811 7 B 0.72828449680308 0.44657999950456 0.25000000000000 10.811 8 B 0.55342000049544 0.27171550319692 0.25000000000000 10.811 9 S 0.47146601958866 0.92081349998804 0.75000000000000 32.065 10 S 0.07918650001196 0.52853398041134 0.75000000000000 32.065 11 S 0.92081349998804 0.47146601958866 0.25000000000000 32.065 12 S 0.52853398041134 0.07918650001196 0.25000000000000 32.065 13 S 0.70030096182311 0.43089523770408 0.75000000000000 32.065 14 S 0.56910476229592 0.29969903817689 0.75000000000000 32.065 15 S 0.29969903817689 0.56910476229592 0.25000000000000 32.065 16 S 0.43089523770408 0.70030096182311 0.25000000000000 32.065 17 S 0.17797867485356 0.82202132514644 0.75000000000000 32.065 18 S 0.82202132514644 0.17797867485356 0.25000000000000 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.829813079999997 0.000000000000000 0.000000000000000 b 0.000000000000000 12.840677519999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.580860879999998 Atomic positions (fractional): 1 Li 0.76964049883380 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.76964049883380 0.50000000000000 0.00000000000000 6.941 > 1 3 Li 0.76964049883380 0.00000000000000 0.50000000000000 6.941 > 1 4 Li 0.76964049883380 0.50000000000000 0.50000000000000 6.941 > 1 5 Li 0.73035950116620 0.25000000000000 0.25000000000000 6.941 > 5 6 Li 0.73035950116620 0.75000000000000 0.25000000000000 6.941 > 5 7 Li 0.73035950116620 0.25000000000000 0.75000000000000 6.941 > 5 8 Li 0.73035950116620 0.75000000000000 0.75000000000000 6.941 > 5 9 Li 0.73035950116620 0.25000000000000 0.00000000000000 6.941 > 9 10 Li 0.73035950116620 0.75000000000000 0.00000000000000 6.941 > 9 11 Li 0.73035950116620 0.25000000000000 0.50000000000000 6.941 > 9 12 Li 0.73035950116620 0.75000000000000 0.50000000000000 6.941 > 9 13 Li 0.76964049883380 0.00000000000000 0.25000000000000 6.941 > 13 14 Li 0.76964049883380 0.50000000000000 0.25000000000000 6.941 > 13 15 Li 0.76964049883380 0.00000000000000 0.75000000000000 6.941 > 13 16 Li 0.76964049883380 0.50000000000000 0.75000000000000 6.941 > 13 17 Li 0.26964049883380 0.25000000000000 0.00000000000000 6.941 > 1 18 Li 0.26964049883380 0.75000000000000 0.00000000000000 6.941 > 1 19 Li 0.26964049883380 0.25000000000000 0.50000000000000 6.941 > 1 20 Li 0.26964049883380 0.75000000000000 0.50000000000000 6.941 > 1 21 Li 0.23035950116620 0.00000000000000 0.25000000000000 6.941 > 5 22 Li 0.23035950116620 0.50000000000000 0.25000000000000 6.941 > 5 23 Li 0.23035950116620 0.00000000000000 0.75000000000000 6.941 > 5 24 Li 0.23035950116620 0.50000000000000 0.75000000000000 6.941 > 5 25 Li 0.23035950116620 0.00000000000000 0.00000000000000 6.941 > 9 26 Li 0.23035950116620 0.50000000000000 0.00000000000000 6.941 > 9 27 Li 0.23035950116620 0.00000000000000 0.50000000000000 6.941 > 9 28 Li 0.23035950116620 0.50000000000000 0.50000000000000 6.941 > 9 29 Li 0.26964049883380 0.25000000000000 0.25000000000000 6.941 > 13 30 Li 0.26964049883380 0.75000000000000 0.25000000000000 6.941 > 13 31 Li 0.26964049883380 0.25000000000000 0.75000000000000 6.941 > 13 32 Li 0.26964049883380 0.75000000000000 0.75000000000000 6.941 > 13 33 B 0.91256775184618 0.32042612432463 0.37500000000000 10.811 > 33 34 B 0.91256775184618 0.82042612432463 0.37500000000000 10.811 > 33 35 B 0.91256775184618 0.32042612432463 0.87500000000000 10.811 > 33 36 B 0.91256775184618 0.82042612432463 0.87500000000000 10.811 > 33 37 B 0.58743224815382 0.07042612432463 0.37500000000000 10.811 > 37 38 B 0.58743224815382 0.57042612432463 0.37500000000000 10.811 > 37 39 B 0.58743224815382 0.07042612432463 0.87500000000000 10.811 > 37 40 B 0.58743224815382 0.57042612432463 0.87500000000000 10.811 > 37 41 B 0.58743224815382 0.42957387567537 0.12500000000000 10.811 > 41 42 B 0.58743224815382 0.92957387567537 0.12500000000000 10.811 > 41 43 B 0.58743224815382 0.42957387567537 0.62500000000000 10.811 > 41 44 B 0.58743224815382 0.92957387567537 0.62500000000000 10.811 > 41 45 B 0.91256775184618 0.17957387567537 0.12500000000000 10.811 > 45 46 B 0.91256775184618 0.67957387567537 0.12500000000000 10.811 > 45 47 B 0.91256775184618 0.17957387567537 0.62500000000000 10.811 > 45 48 B 0.91256775184618 0.67957387567537 0.62500000000000 10.811 > 45 49 B 0.41256775184618 0.07042612432463 0.37500000000000 10.811 > 33 50 B 0.41256775184618 0.57042612432463 0.37500000000000 10.811 > 33 51 B 0.41256775184618 0.07042612432463 0.87500000000000 10.811 > 33 52 B 0.41256775184618 0.57042612432463 0.87500000000000 10.811 > 33 53 B 0.08743224815382 0.32042612432463 0.37500000000000 10.811 > 37 54 B 0.08743224815382 0.82042612432463 0.37500000000000 10.811 > 37 55 B 0.08743224815382 0.32042612432463 0.87500000000000 10.811 > 37 56 B 0.08743224815382 0.82042612432463 0.87500000000000 10.811 > 37 57 B 0.08743224815382 0.17957387567537 0.12500000000000 10.811 > 41 58 B 0.08743224815382 0.67957387567537 0.12500000000000 10.811 > 41 59 B 0.08743224815382 0.17957387567537 0.62500000000000 10.811 > 41 60 B 0.08743224815382 0.67957387567537 0.62500000000000 10.811 > 41 61 B 0.41256775184618 0.42957387567537 0.12500000000000 10.811 > 45 62 B 0.41256775184618 0.92957387567537 0.12500000000000 10.811 > 45 63 B 0.41256775184618 0.42957387567537 0.62500000000000 10.811 > 45 64 B 0.41256775184618 0.92957387567537 0.62500000000000 10.811 > 45 65 S 0.69613975978835 0.11233687009985 0.37500000000000 32.065 > 65 66 S 0.69613975978835 0.61233687009985 0.37500000000000 32.065 > 65 67 S 0.69613975978835 0.11233687009985 0.87500000000000 32.065 > 65 68 S 0.69613975978835 0.61233687009985 0.87500000000000 32.065 > 65 69 S 0.80386024021165 0.36233687009985 0.37500000000000 32.065 > 69 70 S 0.80386024021165 0.86233687009985 0.37500000000000 32.065 > 69 71 S 0.80386024021165 0.36233687009985 0.87500000000000 32.065 > 69 72 S 0.80386024021165 0.86233687009985 0.87500000000000 32.065 > 69 73 S 0.69613975978835 0.38766312990015 0.12500000000000 32.065 > 73 74 S 0.69613975978835 0.88766312990015 0.12500000000000 32.065 > 73 75 S 0.69613975978835 0.38766312990015 0.62500000000000 32.065 > 73 76 S 0.69613975978835 0.88766312990015 0.62500000000000 32.065 > 73 77 S 0.80386024021165 0.13766312990015 0.12500000000000 32.065 > 77 78 S 0.80386024021165 0.63766312990015 0.12500000000000 32.065 > 77 79 S 0.80386024021165 0.13766312990015 0.62500000000000 32.065 > 77 80 S 0.80386024021165 0.63766312990015 0.62500000000000 32.065 > 77 81 S 0.56559809976360 0.43264856897024 0.37500000000000 32.065 > 81 82 S 0.56559809976360 0.93264856897024 0.37500000000000 32.065 > 81 83 S 0.56559809976360 0.43264856897024 0.87500000000000 32.065 > 81 84 S 0.56559809976360 0.93264856897024 0.87500000000000 32.065 > 81 85 S 0.93440190023640 0.18264856897024 0.37500000000000 32.065 > 85 86 S 0.93440190023640 0.68264856897024 0.37500000000000 32.065 > 85 87 S 0.93440190023640 0.18264856897024 0.87500000000000 32.065 > 85 88 S 0.93440190023640 0.68264856897024 0.87500000000000 32.065 > 85 89 S 0.93440190023640 0.31735143102976 0.12500000000000 32.065 > 89 90 S 0.93440190023640 0.81735143102976 0.12500000000000 32.065 > 89 91 S 0.93440190023640 0.31735143102976 0.62500000000000 32.065 > 89 92 S 0.93440190023640 0.81735143102976 0.62500000000000 32.065 > 89 93 S 0.56559809976360 0.06735143102976 0.12500000000000 32.065 > 93 94 S 0.56559809976360 0.56735143102976 0.12500000000000 32.065 > 93 95 S 0.56559809976360 0.06735143102976 0.62500000000000 32.065 > 93 96 S 0.56559809976360 0.56735143102976 0.62500000000000 32.065 > 93 97 S 0.00000000000000 0.41101066257322 0.37500000000000 32.065 > 97 98 S 0.00000000000000 0.91101066257322 0.37500000000000 32.065 > 97 99 S 0.00000000000000 0.41101066257322 0.87500000000000 32.065 > 97 100 S 0.00000000000000 0.91101066257322 0.87500000000000 32.065 > 97 101 S 0.00000000000000 0.08898933742678 0.12500000000000 32.065 > 101 102 S 0.00000000000000 0.58898933742678 0.12500000000000 32.065 > 101 103 S 0.00000000000000 0.08898933742678 0.62500000000000 32.065 > 101 104 S 0.00000000000000 0.58898933742678 0.62500000000000 32.065 > 101 105 S 0.19613975978835 0.36233687009985 0.37500000000000 32.065 > 65 106 S 0.19613975978835 0.86233687009985 0.37500000000000 32.065 > 65 107 S 0.19613975978835 0.36233687009985 0.87500000000000 32.065 > 65 108 S 0.19613975978835 0.86233687009985 0.87500000000000 32.065 > 65 109 S 0.30386024021165 0.11233687009985 0.37500000000000 32.065 > 69 110 S 0.30386024021165 0.61233687009985 0.37500000000000 32.065 > 69 111 S 0.30386024021165 0.11233687009985 0.87500000000000 32.065 > 69 112 S 0.30386024021165 0.61233687009985 0.87500000000000 32.065 > 69 113 S 0.19613975978835 0.13766312990015 0.12500000000000 32.065 > 73 114 S 0.19613975978835 0.63766312990015 0.12500000000000 32.065 > 73 115 S 0.19613975978835 0.13766312990015 0.62500000000000 32.065 > 73 116 S 0.19613975978835 0.63766312990015 0.62500000000000 32.065 > 73 117 S 0.30386024021165 0.38766312990015 0.12500000000000 32.065 > 77 118 S 0.30386024021165 0.88766312990015 0.12500000000000 32.065 > 77 119 S 0.30386024021165 0.38766312990015 0.62500000000000 32.065 > 77 120 S 0.30386024021165 0.88766312990015 0.62500000000000 32.065 > 77 121 S 0.06559809976360 0.18264856897024 0.37500000000000 32.065 > 81 122 S 0.06559809976360 0.68264856897024 0.37500000000000 32.065 > 81 123 S 0.06559809976360 0.18264856897024 0.87500000000000 32.065 > 81 124 S 0.06559809976360 0.68264856897024 0.87500000000000 32.065 > 81 125 S 0.43440190023640 0.43264856897024 0.37500000000000 32.065 > 85 126 S 0.43440190023640 0.93264856897024 0.37500000000000 32.065 > 85 127 S 0.43440190023640 0.43264856897024 0.87500000000000 32.065 > 85 128 S 0.43440190023640 0.93264856897024 0.87500000000000 32.065 > 85 129 S 0.43440190023640 0.06735143102976 0.12500000000000 32.065 > 89 130 S 0.43440190023640 0.56735143102976 0.12500000000000 32.065 > 89 131 S 0.43440190023640 0.06735143102976 0.62500000000000 32.065 > 89 132 S 0.43440190023640 0.56735143102976 0.62500000000000 32.065 > 89 133 S 0.06559809976360 0.31735143102976 0.12500000000000 32.065 > 93 134 S 0.06559809976360 0.81735143102976 0.12500000000000 32.065 > 93 135 S 0.06559809976360 0.31735143102976 0.62500000000000 32.065 > 93 136 S 0.06559809976360 0.81735143102976 0.62500000000000 32.065 > 93 137 S 0.50000000000000 0.16101066257322 0.37500000000000 32.065 > 97 138 S 0.50000000000000 0.66101066257322 0.37500000000000 32.065 > 97 139 S 0.50000000000000 0.16101066257322 0.87500000000000 32.065 > 97 140 S 0.50000000000000 0.66101066257322 0.87500000000000 32.065 > 97 141 S 0.50000000000000 0.33898933742678 0.12500000000000 32.065 > 101 142 S 0.50000000000000 0.83898933742678 0.12500000000000 32.065 > 101 143 S 0.50000000000000 0.33898933742678 0.62500000000000 32.065 > 101 144 S 0.50000000000000 0.83898933742678 0.62500000000000 32.065 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2782834 0.0000000 0.0000000 0.0000000 4.0269259 0.0000000 0.0000000 0.0000000 3.6199797 -------------------------- Born effective charges -------------------------- 1 Li 1.1693504 0.0000000 0.0000000 0.0000000 1.1725205 0.2291276 0.0000000 0.0612673 1.1727797 2 Li 1.1693504 0.0000000 0.0000000 0.0000000 1.1725205 -0.2291276 0.0000000 -0.0612673 1.1727797 3 Li 1.1693504 0.0000000 0.0000000 0.0000000 1.1725205 0.2291276 0.0000000 0.0612673 1.1727797 4 Li 1.1693504 0.0000000 0.0000000 0.0000000 1.1725205 -0.2291276 0.0000000 -0.0612673 1.1727797 5 B 2.4389366 -0.3716945 0.0000000 -0.2767420 0.9843588 0.0000000 0.0000000 0.0000000 0.4322990 6 B 2.4389366 0.3716945 0.0000000 0.2767420 0.9843588 0.0000000 0.0000000 0.0000000 0.4322990 7 B 2.4389366 -0.3716945 0.0000000 -0.2767420 0.9843588 0.0000000 0.0000000 0.0000000 0.4322990 8 B 2.4389366 0.3716945 0.0000000 0.2767420 0.9843588 0.0000000 0.0000000 0.0000000 0.4322990 9 S -2.4537975 -0.5501780 0.0000000 -0.4500692 -1.2405400 0.0000000 0.0000000 0.0000000 -1.1231527 10 S -2.4537975 0.5501780 0.0000000 0.4500692 -1.2405400 0.0000000 0.0000000 0.0000000 -1.1231527 11 S -2.4537975 0.5501780 0.0000000 0.4500692 -1.2405400 0.0000000 0.0000000 0.0000000 -1.1231527 12 S -2.4537975 -0.5501780 0.0000000 -0.4500692 -1.2405400 0.0000000 0.0000000 0.0000000 -1.1231527 13 S -0.2935957 -0.3175953 0.0000000 0.1755274 -0.6970002 0.0000000 0.0000000 0.0000000 -0.3545428 14 S -0.2935957 0.3175953 0.0000000 -0.1755274 -0.6970002 0.0000000 0.0000000 0.0000000 -0.3545428 15 S -0.2935957 -0.3175953 0.0000000 0.1755274 -0.6970002 0.0000000 0.0000000 0.0000000 -0.3545428 16 S -0.2935957 0.3175953 0.0000000 -0.1755274 -0.6970002 0.0000000 0.0000000 0.0000000 -0.3545428 17 S -1.7217876 0.0000000 0.0000000 0.0000000 -0.4386781 0.0000000 0.0000000 0.0000000 -0.2547665 18 S -1.7217876 0.0000000 0.0000000 0.0000000 -0.4386781 0.0000000 0.0000000 0.0000000 -0.2547665 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.59, Number of G-points: 303, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.965 ( 0.000 0.000 0.000) 0.000 2.134 ( 0.000 0.000 0.000) 0.000 2.394 ( 0.000 0.000 0.000) 0.000 2.404 ( 0.000 0.000 0.000) 0.000 3.009 ( 0.000 0.000 0.000) 0.000 3.100 ( 0.000 0.000 0.000) 0.000 3.295 ( 0.000 0.000 0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.938 ( 0.000 0.000 0.000) 0.000 4.185 ( 0.000 0.000 0.000) 0.000 4.199 ( 0.000 0.000 0.000) 0.000 4.211 ( 0.000 0.000 0.000) 0.000 5.001 ( 0.000 0.000 0.000) 0.000 5.549 ( 0.000 0.000 0.000) 0.000 5.551 ( 0.000 0.000 0.000) 0.000 6.124 ( 0.000 0.000 0.000) 0.000 6.153 ( 0.000 0.000 0.000) 0.000 6.243 ( 0.000 0.000 0.000) 0.000 6.435 ( 0.000 0.000 0.000) 0.000 6.848 ( 0.000 0.000 0.000) 0.000 7.694 ( 0.000 0.000 0.000) 0.000 8.024 ( 0.000 0.000 0.000) 0.000 8.031 ( 0.000 0.000 0.000) 0.000 8.400 ( 0.000 0.000 0.000) 0.000 8.896 ( 0.000 0.000 0.000) 0.000 8.949 ( 0.000 0.000 0.000) 0.000 9.074 ( 0.000 0.000 0.000) 0.000 9.410 ( 0.000 0.000 0.000) 0.000 9.474 ( 0.000 0.000 0.000) 0.000 9.583 ( 0.000 0.000 0.000) 0.000 9.966 ( 0.000 0.000 0.000) 0.000 10.919 ( 0.000 0.000 0.000) 0.000 11.015 ( 0.000 0.000 0.000) 0.000 11.102 ( 0.000 0.000 0.000) 0.000 11.194 ( 0.000 0.000 0.000) 0.000 11.276 ( 0.000 0.000 0.000) 0.000 11.514 ( 0.000 0.000 0.000) 0.000 13.028 ( 0.000 0.000 0.000) 0.000 13.086 ( 0.000 0.000 0.000) 0.000 13.679 ( 0.000 0.000 0.000) 0.000 13.746 ( 0.000 0.000 0.000) 0.000 14.567 ( 0.000 0.000 0.000) 0.000 14.690 ( 0.000 0.000 0.000) 0.000 25.252 ( 0.000 0.000 0.000) 0.000 25.482 ( 0.000 0.000 0.000) 0.000 25.999 ( 0.000 0.000 0.000) 0.000 26.608 ( 0.000 0.000 0.000) 0.000 27.104 ( 0.000 0.000 0.000) 0.000 27.298 ( 0.000 0.000 0.000) 0.000 28.465 ( 0.000 0.000 0.000) 0.000 28.908 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.12 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( 6.298 -17.257 0.000) 18.370 0.435 ( 22.887 -13.131 0.000) 26.386 0.858 ( 12.900 -37.516 0.000) 39.672 2.019 ( -3.483 -3.591 0.000) 5.003 2.171 ( 7.520 -2.889 0.000) 8.056 2.324 ( -3.386 3.021 0.000) 4.538 2.449 ( -4.280 -3.577 0.000) 5.578 2.987 ( -8.536 -0.211 0.000) 8.539 3.071 ( 4.993 3.164 0.000) 5.911 3.317 ( -9.021 0.643 0.000) 9.044 3.372 ( 10.655 -2.633 0.000) 10.975 3.941 ( 1.714 0.320 0.000) 1.744 4.087 ( -5.671 7.885 0.000) 9.712 4.242 ( -0.455 -3.164 0.000) 3.197 4.374 ( 4.147 -7.297 0.000) 8.393 4.974 ( -2.318 1.984 0.000) 3.051 5.519 ( 0.670 2.947 0.000) 3.022 5.553 ( 1.716 0.254 0.000) 1.735 6.136 ( -0.307 1.592 0.000) 1.621 6.136 ( -1.575 -1.994 0.000) 2.541 6.194 ( -0.519 4.389 0.000) 4.420 6.446 ( -1.699 -1.492 0.000) 2.261 6.850 ( 11.434 9.582 0.000) 14.918 7.719 ( 17.930 13.142 0.000) 22.230 8.075 ( -0.147 -4.370 0.000) 4.372 8.099 ( -0.160 -7.201 0.000) 7.203 8.407 ( 0.690 -0.435 0.000) 0.816 8.862 ( -4.857 1.842 0.000) 5.194 8.983 ( 2.056 -2.824 0.000) 3.493 9.066 ( -0.894 0.368 0.000) 0.967 9.363 ( 1.602 4.637 0.000) 4.906 9.561 ( 1.141 2.835 0.000) 3.056 10.036 ( -0.766 -6.314 0.000) 6.361 10.441 ( -16.552 -6.437 0.000) 17.760 10.885 ( 0.110 3.183 0.000) 3.185 10.990 ( -0.028 2.259 0.000) 2.259 11.082 ( -0.246 1.681 0.000) 1.699 11.198 ( -1.121 -0.587 0.000) 1.266 11.289 ( 0.785 -0.933 0.000) 1.219 11.707 ( -19.873 -1.575 0.000) 19.936 13.023 ( 0.279 0.600 0.000) 0.662 13.082 ( -0.762 1.004 0.000) 1.261 13.685 ( 0.111 -0.577 0.000) 0.588 13.754 ( 0.770 0.075 0.000) 0.774 14.575 ( -0.749 0.071 0.000) 0.753 14.687 ( 0.115 0.344 0.000) 0.363 25.255 ( 0.006 -0.247 0.000) 0.247 25.485 ( -0.026 -0.289 0.000) 0.290 26.243 ( 44.511 14.395 0.000) 46.781 26.632 ( -3.457 -3.557 0.000) 4.960 27.247 ( 3.313 4.469 0.000) 5.563 27.405 ( 1.822 -2.091 0.000) 2.774 28.507 ( -2.317 0.704 0.000) 2.421 28.866 ( -0.967 3.500 0.000) 3.631 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.25 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 7.160 -15.587 0.000) 17.153 0.863 ( 19.886 -13.105 0.000) 23.816 1.635 ( 11.603 -30.832 0.000) 32.944 1.998 ( -6.719 -0.369 0.000) 6.729 2.229 ( -5.787 3.017 0.000) 6.526 2.356 ( 10.726 -5.850 0.000) 12.217 2.477 ( -8.234 -4.641 0.000) 9.452 2.869 ( -1.098 7.434 0.000) 7.515 3.092 ( 1.863 -1.811 0.000) 2.598 3.217 ( -11.890 0.370 0.000) 11.896 3.527 ( 11.454 -3.344 0.000) 11.933 3.810 ( -10.889 13.182 0.000) 17.098 3.957 ( 3.298 -0.257 0.000) 3.308 4.317 ( -0.888 -4.765 0.000) 4.847 4.614 ( 10.937 -10.552 0.000) 15.197 4.880 ( -5.023 4.735 0.000) 6.903 5.465 ( 2.206 3.390 0.000) 4.045 5.570 ( 2.624 0.309 0.000) 2.642 6.082 ( -1.270 3.926 0.000) 4.126 6.098 ( -0.208 3.592 0.000) 3.598 6.179 ( -3.781 -4.396 0.000) 5.798 6.443 ( -6.202 -0.710 0.000) 6.242 6.738 ( 10.123 9.166 0.000) 13.656 7.554 ( 6.911 13.545 0.000) 15.206 8.184 ( 0.069 -6.471 0.000) 6.471 8.268 ( -0.803 -9.444 0.000) 9.478 8.429 ( 2.011 -0.736 0.000) 2.142 8.758 ( -7.163 3.324 0.000) 7.897 9.055 ( -1.205 -0.561 0.000) 1.330 9.080 ( 3.943 -4.143 0.000) 5.719 9.299 ( 2.622 3.014 0.000) 3.995 9.488 ( 1.708 5.847 0.000) 6.091 10.155 ( -2.343 -6.292 0.000) 6.714 10.407 ( -9.253 -0.254 0.000) 9.256 10.824 ( 3.366 3.775 0.000) 5.058 10.940 ( 0.382 2.745 0.000) 2.771 11.040 ( -0.485 2.172 0.000) 2.225 11.197 ( -1.980 -0.709 0.000) 2.103 11.317 ( 1.278 -0.876 0.000) 1.549 11.551 ( -14.646 2.647 0.000) 14.883 13.009 ( 0.302 1.027 0.000) 1.070 13.050 ( -0.470 1.561 0.000) 1.630 13.701 ( 0.130 -0.815 0.000) 0.826 13.761 ( 0.144 -0.368 0.000) 0.395 14.566 ( -0.389 0.331 0.000) 0.511 14.679 ( 0.111 0.539 0.000) 0.550 25.262 ( 0.123 -0.432 0.000) 0.449 25.494 ( 0.058 -0.537 0.000) 0.540 26.333 ( 23.285 4.294 0.000) 23.678 26.670 ( -7.069 -4.035 0.000) 8.140 27.209 ( 6.727 3.109 0.000) 7.410 27.448 ( 1.276 -0.962 0.000) 1.598 28.450 ( -1.693 3.668 0.000) 4.039 28.785 ( -1.743 2.934 0.000) 3.412 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.38 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 6.460 -10.956 0.000) 12.718 1.238 ( 14.848 -10.532 0.000) 18.204 1.850 ( -10.563 1.959 0.000) 10.743 2.118 ( -6.298 3.057 0.000) 7.001 2.314 ( 14.590 -20.244 0.000) 24.954 2.509 ( -9.811 -6.135 0.000) 11.571 2.511 ( 6.398 -4.280 0.000) 7.698 2.714 ( 5.273 9.475 0.000) 10.844 3.138 ( -10.167 -0.861 0.000) 10.203 3.146 ( 0.803 -2.148 0.000) 2.293 3.436 ( -10.915 14.973 0.000) 18.529 3.646 ( 5.933 -1.278 0.000) 6.070 4.020 ( 5.724 -2.492 0.000) 6.243 4.392 ( -2.097 -3.527 0.000) 4.103 4.731 ( -5.035 5.392 0.000) 7.377 4.938 ( 12.769 -12.599 0.000) 17.938 5.428 ( 2.365 2.236 0.000) 3.254 5.528 ( -2.607 5.867 0.000) 6.420 6.006 ( -1.108 1.961 0.000) 2.253 6.038 ( -0.227 2.713 0.000) 2.723 6.236 ( -8.091 -6.068 0.000) 10.113 6.386 ( 0.094 2.834 0.000) 2.836 6.700 ( 6.559 1.496 0.000) 6.727 7.327 ( 2.074 12.249 0.000) 12.424 8.308 ( 0.431 -5.537 0.000) 5.554 8.412 ( -1.246 -5.247 0.000) 5.393 8.466 ( 3.155 -0.861 0.000) 3.270 8.642 ( -5.942 2.867 0.000) 6.598 9.089 ( -1.120 -4.291 0.000) 4.435 9.177 ( 3.460 -2.177 0.000) 4.088 9.290 ( 1.941 0.124 0.000) 1.945 9.363 ( 1.681 8.207 0.000) 8.378 10.224 ( -3.146 -3.027 0.000) 4.366 10.324 ( -5.816 1.622 0.000) 6.038 10.800 ( 5.195 2.420 0.000) 5.731 10.898 ( 0.602 1.847 0.000) 1.943 10.998 ( -0.720 1.398 0.000) 1.573 11.198 ( -1.237 -0.594 0.000) 1.373 11.337 ( 0.828 -0.359 0.000) 0.903 11.407 ( -9.665 1.582 0.000) 9.793 12.990 ( 0.037 0.926 0.000) 0.927 13.022 ( -0.136 1.010 0.000) 1.019 13.716 ( 0.071 -0.564 0.000) 0.568 13.769 ( 0.026 -0.356 0.000) 0.357 14.558 ( -0.187 0.246 0.000) 0.309 14.669 ( 0.045 0.413 0.000) 0.416 25.271 ( 0.156 -0.350 0.000) 0.383 25.505 ( 0.104 -0.447 0.000) 0.459 26.425 ( 12.795 1.439 0.000) 12.875 26.672 ( -6.597 -2.064 0.000) 6.913 27.230 ( 5.715 0.387 0.000) 5.728 27.462 ( 0.306 0.088 0.000) 0.318 28.351 ( -1.253 4.361 0.000) 4.537 28.741 ( -1.261 0.487 0.000) 1.352 ======================= Grid point 4 (5/84) ======================= q-point: (-0.50 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 0.000 -0.000 0.000) 0.000 1.438 ( 0.000 -0.000 0.000) 0.000 1.749 ( -0.000 -0.000 0.000) 0.000 2.050 ( -0.000 -0.000 0.000) 0.000 2.499 ( -0.000 -0.000 0.000) 0.000 2.550 ( -0.000 -0.000 0.000) 0.000 2.619 ( 0.000 0.000 0.000) 0.000 2.773 ( 0.000 -0.000 0.000) 0.000 3.011 ( 0.000 -0.000 0.000) 0.000 3.172 ( 0.000 -0.000 0.000) 0.000 3.218 ( 0.000 -0.000 0.000) 0.000 3.678 ( 0.000 -0.000 0.000) 0.000 4.088 ( 0.000 -0.000 0.000) 0.000 4.412 ( -0.000 0.000 0.000) 0.000 4.648 ( 0.000 -0.000 0.000) 0.000 5.259 ( -0.000 0.000 0.000) 0.000 5.310 ( 0.000 -0.000 0.000) 0.000 5.415 ( -0.000 -0.000 0.000) 0.000 5.992 ( -0.000 -0.000 0.000) 0.000 6.000 ( 0.000 0.000 0.000) 0.000 6.277 ( -0.000 -0.000 0.000) 0.000 6.351 ( 0.000 0.000 0.000) 0.000 6.733 ( 0.000 -0.000 0.000) 0.000 7.190 ( 0.000 -0.000 0.000) 0.000 8.375 ( -0.000 0.000 0.000) 0.000 8.450 ( 0.000 -0.000 0.000) 0.000 8.498 ( -0.000 0.000 0.000) 0.000 8.577 ( 0.000 -0.000 0.000) 0.000 9.191 ( 0.000 0.000 0.000) 0.000 9.212 ( 0.000 0.000 0.000) 0.000 9.224 ( -0.000 -0.000 0.000) 0.000 9.301 ( 0.000 -0.000 0.000) 0.000 10.237 ( 0.000 -0.000 0.000) 0.000 10.282 ( -0.000 -0.000 0.000) 0.000 10.799 ( 0.000 -0.000 0.000) 0.000 10.882 ( 0.000 -0.000 0.000) 0.000 10.981 ( -0.000 -0.000 0.000) 0.000 11.199 ( 0.000 -0.000 0.000) 0.000 11.344 ( 0.000 -0.000 0.000) 0.000 11.352 ( -0.000 -0.000 0.000) 0.000 12.980 ( -0.000 -0.000 0.000) 0.000 13.011 ( -0.000 -0.000 0.000) 0.000 13.722 ( 0.000 -0.000 0.000) 0.000 13.773 ( 0.000 -0.000 0.000) 0.000 14.555 ( -0.000 -0.000 0.000) 0.000 14.665 ( -0.000 -0.000 0.000) 0.000 25.276 ( 0.000 -0.000 0.000) 0.000 25.510 ( 0.000 -0.000 0.000) 0.000 26.464 ( -0.000 -0.000 0.000) 0.000 26.663 ( 0.000 -0.000 0.000) 0.000 27.255 ( 0.000 -0.000 0.000) 0.000 27.460 ( 0.000 -0.000 0.000) 0.000 28.298 ( 0.000 -0.000 0.000) 0.000 28.733 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/84) ======================= q-point: ( 0.12 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.270 ( 17.357 -0.000 0.000) 17.357 0.280 ( 18.130 -0.000 0.000) 18.130 0.763 ( 46.988 -0.000 0.000) 46.988 2.041 ( 9.301 -0.000 0.000) 9.301 2.172 ( 4.316 -0.000 0.000) 4.316 2.306 ( -11.173 0.000 0.000) 11.173 2.373 ( -3.412 0.000 0.000) 3.412 2.902 ( -8.115 0.000 0.000) 8.115 3.161 ( 6.944 -0.000 0.000) 6.944 3.167 ( -20.843 0.000 0.000) 20.843 3.450 ( 14.269 -0.000 0.000) 14.269 3.969 ( 4.133 -0.000 0.000) 4.133 4.099 ( -12.758 0.000 0.000) 12.758 4.202 ( -1.168 0.000 0.000) 1.168 4.355 ( 15.945 -0.000 0.000) 15.945 4.968 ( -4.143 0.000 0.000) 4.143 5.554 ( 0.534 -0.000 0.000) 0.534 5.588 ( 4.353 -0.000 0.000) 4.353 6.098 ( -3.205 0.000 0.000) 3.205 6.149 ( -0.436 0.000 0.000) 0.436 6.234 ( -1.045 0.000 0.000) 1.045 6.422 ( -2.079 0.000 0.000) 2.079 7.044 ( -0.218 0.000 0.000) 0.218 8.018 ( -0.598 0.000 0.000) 0.598 8.033 ( 0.137 -0.000 0.000) 0.137 8.230 ( -16.670 0.000 0.000) 16.670 8.409 ( 1.128 -0.000 0.000) 1.128 8.956 ( 0.778 -0.000 0.000) 0.778 9.029 ( 12.612 -0.000 0.000) 12.612 9.059 ( -1.726 0.000 0.000) 1.726 9.488 ( 1.705 -0.000 0.000) 1.705 9.602 ( 2.171 -0.000 0.000) 2.171 9.788 ( 0.169 -0.000 0.000) 0.169 9.962 ( -0.558 0.000 0.000) 0.558 10.910 ( -1.088 0.000 0.000) 1.088 11.013 ( -0.187 0.000 0.000) 0.187 11.092 ( -1.198 0.000 0.000) 1.198 11.189 ( -0.550 0.000 0.000) 0.550 11.282 ( 0.678 -0.000 0.000) 0.678 11.435 ( -9.596 0.000 0.000) 9.596 13.034 ( 0.757 -0.000 0.000) 0.757 13.086 ( 0.005 -0.000 0.000) 0.005 13.679 ( 0.026 -0.000 0.000) 0.026 13.764 ( -0.801 0.000 0.000) 0.801 14.567 ( 0.079 -0.000 0.000) 0.079 14.692 ( 0.264 -0.000 0.000) 0.264 25.252 ( -0.075 0.000 0.000) 0.075 25.481 ( -0.199 0.000 0.000) 0.199 26.551 ( -6.081 0.000 0.000) 6.081 27.177 ( 7.931 -0.000 0.000) 7.931 27.308 ( 1.300 -0.000 0.000) 1.300 27.427 ( 0.800 -0.000 0.000) 0.800 28.463 ( -0.244 0.000 0.000) 0.244 28.899 ( -1.151 0.000 0.000) 1.151 ======================= Grid point 11 (7/84) ======================= q-point: ( 0.25 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 14.029 -12.901 0.000) 19.059 0.699 ( 11.157 -18.441 0.000) 21.553 1.299 ( 36.841 -18.055 0.000) 41.027 2.019 ( 4.415 5.181 0.000) 6.807 2.198 ( -13.442 0.384 0.000) 13.448 2.317 ( 9.311 -6.316 0.000) 11.250 2.350 ( -6.133 -1.079 0.000) 6.227 2.861 ( -5.905 -0.988 0.000) 5.987 3.054 ( -21.047 -4.219 0.000) 21.466 3.188 ( 8.767 3.098 0.000) 9.298 3.580 ( 13.685 -1.580 0.000) 13.776 3.905 ( -16.487 7.242 0.000) 18.008 3.998 ( 5.614 0.925 0.000) 5.690 4.228 ( -1.213 -3.430 0.000) 3.638 4.551 ( 15.368 -6.259 0.000) 16.593 4.903 ( -6.614 2.499 0.000) 7.070 5.537 ( 1.319 2.092 0.000) 2.474 5.614 ( 5.431 0.993 0.000) 5.521 6.088 ( -4.324 -1.929 0.000) 4.735 6.127 ( -0.653 1.798 0.000) 1.913 6.179 ( -1.279 4.220 0.000) 4.410 6.391 ( -5.602 0.365 0.000) 5.614 6.971 ( 4.579 6.828 0.000) 8.221 7.897 ( -1.817 15.572 0.000) 15.678 8.070 ( -0.352 -4.845 0.000) 4.858 8.095 ( -0.391 -6.581 0.000) 6.593 8.430 ( 2.328 -0.896 0.000) 2.495 8.883 ( 8.967 11.397 0.000) 14.502 9.021 ( 3.582 -3.286 0.000) 4.861 9.042 ( -1.925 0.141 0.000) 1.930 9.390 ( 1.448 4.433 0.000) 4.663 9.592 ( 2.532 3.037 0.000) 3.954 10.004 ( -3.981 -6.121 0.000) 7.302 10.175 ( -12.290 -15.449 0.000) 19.741 10.890 ( 0.607 1.119 0.000) 1.274 10.989 ( -0.100 1.964 0.000) 1.967 11.076 ( -0.468 1.187 0.000) 1.276 11.171 ( -2.098 0.394 0.000) 2.134 11.306 ( 1.185 -1.320 0.000) 1.774 11.399 ( -17.488 -3.408 0.000) 17.817 13.032 ( 0.824 0.825 0.000) 1.166 13.075 ( -0.069 1.101 0.000) 1.103 13.686 ( -0.040 -0.629 0.000) 0.630 13.756 ( -0.524 -0.076 0.000) 0.529 14.568 ( -0.159 0.086 0.000) 0.181 14.690 ( 0.273 0.416 0.000) 0.498 25.254 ( -0.027 -0.342 0.000) 0.343 25.484 ( -0.171 -0.412 0.000) 0.446 26.513 ( -6.544 -0.917 0.000) 6.608 26.885 ( 26.985 22.156 0.000) 34.915 27.304 ( 2.946 2.018 0.000) 3.571 27.453 ( 3.326 -0.618 0.000) 3.383 28.470 ( -1.704 0.075 0.000) 1.705 28.841 ( -2.068 3.967 0.000) 4.474 ======================= Grid point 12 (8/84) ======================= q-point: ( 0.38 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 13.346 -13.075 0.000) 18.683 1.099 ( 9.272 -14.698 0.000) 17.378 1.806 ( 5.283 -2.704 0.000) 5.935 2.084 ( 20.393 -13.955 0.000) 24.711 2.086 ( -13.188 0.123 0.000) 13.189 2.325 ( -8.884 -2.691 0.000) 9.283 2.478 ( 3.614 -4.029 0.000) 5.412 2.826 ( -2.663 1.507 0.000) 3.060 3.000 ( -13.227 -4.284 0.000) 13.903 3.201 ( 9.072 2.541 0.000) 9.421 3.592 ( -15.330 10.880 0.000) 18.798 3.696 ( 9.225 -0.004 0.000) 9.225 4.042 ( 7.446 -0.707 0.000) 7.480 4.298 ( -1.425 -4.268 0.000) 4.500 4.770 ( -8.614 4.416 0.000) 9.680 4.827 ( 14.409 -9.755 0.000) 17.401 5.505 ( 2.568 2.728 0.000) 3.747 5.617 ( 2.701 3.489 0.000) 4.412 6.059 ( -1.616 4.198 0.000) 4.498 6.086 ( -7.962 -2.305 0.000) 8.289 6.092 ( -0.474 3.160 0.000) 3.195 6.345 ( -5.388 -1.966 0.000) 5.735 6.880 ( 7.614 7.233 0.000) 10.502 7.595 ( -3.150 14.183 0.000) 14.529 8.187 ( 0.285 -6.772 0.000) 6.778 8.251 ( -1.317 -9.050 0.000) 9.145 8.479 ( 4.223 -1.361 0.000) 4.437 8.739 ( 5.349 9.306 0.000) 10.734 9.033 ( -1.493 -0.944 0.000) 1.767 9.121 ( 1.110 -3.975 0.000) 4.127 9.340 ( 2.290 2.085 0.000) 3.097 9.521 ( 2.198 6.202 0.000) 6.580 10.085 ( -7.322 -6.255 0.000) 9.630 10.252 ( -8.285 -3.649 0.000) 9.053 10.885 ( 3.535 1.779 0.000) 3.957 10.949 ( 0.714 2.316 0.000) 2.423 11.030 ( -0.772 2.653 0.000) 2.763 11.162 ( -2.233 -1.314 0.000) 2.591 11.309 ( -13.854 -1.886 0.000) 13.982 11.337 ( 1.150 -0.719 0.000) 1.356 13.014 ( 0.220 1.387 0.000) 1.405 13.049 ( 0.427 1.531 0.000) 1.589 13.700 ( -0.197 -0.851 0.000) 0.873 13.759 ( -0.340 -0.537 0.000) 0.636 14.562 ( -0.078 0.295 0.000) 0.305 14.681 ( 0.152 0.638 0.000) 0.656 25.264 ( 0.060 -0.515 0.000) 0.519 25.494 ( -0.063 -0.664 0.000) 0.667 26.476 ( -6.097 -0.284 0.000) 6.104 26.793 ( 21.659 9.400 0.000) 23.611 27.292 ( 3.262 1.825 0.000) 3.738 27.474 ( 1.471 0.424 0.000) 1.531 28.425 ( -1.290 3.520 0.000) 3.749 28.749 ( -2.502 2.466 0.000) 3.513 ======================= Grid point 13 (9/84) ======================= q-point: ( 0.50 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 10.714 -5.500 0.000) 12.044 1.400 ( 5.295 -7.840 0.000) 9.460 1.733 ( -3.504 2.608 0.000) 4.368 2.012 ( -7.705 -2.338 0.000) 8.052 2.326 ( -11.556 -5.996 0.000) 13.019 2.475 ( 0.297 -3.149 0.000) 3.163 2.662 ( 15.604 -14.361 0.000) 21.207 2.762 ( 1.319 4.191 0.000) 4.394 2.966 ( -10.152 -0.358 0.000) 10.159 3.228 ( 7.727 1.830 0.000) 7.941 3.308 ( -4.384 7.795 0.000) 8.943 3.714 ( 2.942 2.548 0.000) 3.892 4.118 ( 5.483 0.697 0.000) 5.528 4.364 ( -0.674 -4.214 0.000) 4.267 4.637 ( -6.551 1.780 0.000) 6.789 5.141 ( 11.803 -11.147 0.000) 16.235 5.455 ( -6.112 11.641 0.000) 13.148 5.464 ( 1.928 3.398 0.000) 3.907 5.988 ( -1.097 1.294 0.000) 1.697 6.034 ( -0.186 2.469 0.000) 2.476 6.090 ( -9.235 -6.388 0.000) 11.229 6.402 ( 1.806 -3.351 0.000) 3.807 6.816 ( 7.605 5.038 0.000) 9.122 7.298 ( -5.698 11.946 0.000) 13.235 8.319 ( 0.872 -5.615 0.000) 5.682 8.388 ( -1.664 -5.589 0.000) 5.831 8.544 ( 6.695 -0.162 0.000) 6.697 8.612 ( 1.693 5.590 0.000) 5.841 9.071 ( -1.001 -4.389 0.000) 4.501 9.164 ( -4.294 -1.616 0.000) 4.588 9.337 ( 3.014 0.963 0.000) 3.164 9.389 ( 1.533 8.575 0.000) 8.711 10.141 ( -6.540 -5.820 0.000) 8.754 10.257 ( -2.629 -2.035 0.000) 3.325 10.842 ( -0.733 3.788 0.000) 3.859 10.910 ( 0.849 2.328 0.000) 2.478 10.984 ( -0.973 0.870 0.000) 1.305 11.179 ( -1.044 -1.492 0.000) 1.821 11.304 ( -2.111 -4.066 0.000) 4.582 11.350 ( 0.641 0.130 0.000) 0.654 12.989 ( -0.131 0.985 0.000) 0.993 13.026 ( 0.655 1.196 0.000) 1.364 13.713 ( -0.352 -0.647 0.000) 0.736 13.768 ( -0.146 -0.471 0.000) 0.493 14.557 ( 0.056 0.204 0.000) 0.211 14.670 ( 0.045 0.470 0.000) 0.472 25.273 ( -0.005 -0.316 0.000) 0.316 25.505 ( -0.051 -0.468 0.000) 0.470 26.424 ( -7.226 0.334 0.000) 7.234 26.804 ( 16.890 5.740 0.000) 17.839 27.273 ( -0.295 1.864 0.000) 1.887 27.465 ( -0.099 0.634 0.000) 0.641 28.332 ( -1.023 3.778 0.000) 3.914 28.721 ( -1.145 -0.588 0.000) 1.287 ======================= Grid point 14 (10/84) ======================= q-point: (-0.38 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 1.321 7.525 0.000) 7.640 1.333 ( -9.060 9.935 0.000) 13.446 1.833 ( 7.154 -8.011 0.000) 10.740 2.089 ( 4.920 -5.204 0.000) 7.162 2.396 ( -12.452 -11.772 0.000) 17.136 2.455 ( -4.186 2.439 0.000) 4.845 2.637 ( -9.696 13.220 0.000) 16.395 2.692 ( 3.368 4.838 0.000) 5.894 3.181 ( 12.862 -11.909 0.000) 17.528 3.237 ( 6.552 3.304 0.000) 7.338 3.245 ( 2.652 -3.066 0.000) 4.054 3.659 ( -2.218 3.491 0.000) 4.136 4.054 ( -3.193 4.797 0.000) 5.763 4.450 ( 3.727 -0.519 0.000) 3.763 4.634 ( -1.551 -5.648 0.000) 5.857 5.114 ( -9.181 14.290 0.000) 16.986 5.413 ( -0.234 2.021 0.000) 2.034 5.426 ( 6.294 -8.225 0.000) 10.357 5.991 ( -0.075 -1.672 0.000) 1.673 6.002 ( 0.174 0.547 0.000) 0.574 6.191 ( -6.045 -10.099 0.000) 11.770 6.417 ( 4.066 4.733 0.000) 6.240 6.782 ( 5.687 6.917 0.000) 8.955 7.126 ( -7.185 -3.069 0.000) 7.813 8.376 ( 0.075 1.002 0.000) 1.005 8.449 ( -0.057 -1.777 0.000) 1.778 8.496 ( 0.373 4.176 0.000) 4.193 8.654 ( 7.560 -2.434 0.000) 7.942 9.132 ( -7.488 -0.543 0.000) 7.508 9.185 ( -0.491 -6.645 0.000) 6.663 9.230 ( 0.468 7.183 0.000) 7.198 9.326 ( 1.400 2.394 0.000) 2.774 10.214 ( -1.889 -4.531 0.000) 4.908 10.304 ( 1.743 -3.344 0.000) 3.771 10.757 ( -3.875 2.251 0.000) 4.481 10.882 ( -0.002 0.597 0.000) 0.597 10.981 ( -0.002 -0.718 0.000) 0.718 11.199 ( 0.014 -0.934 0.000) 0.934 11.344 ( -0.009 0.641 0.000) 0.641 11.404 ( 4.856 -4.438 0.000) 6.579 12.980 ( -0.051 -0.087 0.000) 0.101 13.016 ( 0.495 0.229 0.000) 0.545 13.718 ( -0.343 -0.130 0.000) 0.367 13.772 ( -0.069 -0.022 0.000) 0.073 14.556 ( 0.156 -0.055 0.000) 0.166 14.665 ( 0.001 0.027 0.000) 0.027 25.274 ( -0.142 0.075 0.000) 0.161 25.509 ( -0.099 0.042 0.000) 0.107 26.343 ( -8.448 1.680 0.000) 8.613 26.827 ( 14.117 4.525 0.000) 14.825 27.200 ( -6.772 2.504 0.000) 7.220 27.460 ( 0.087 -0.098 0.000) 0.131 28.299 ( 0.120 -1.080 0.000) 1.087 28.734 ( 0.097 -0.924 0.000) 0.929 ======================= Grid point 15 (11/84) ======================= q-point: (-0.25 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -10.698 14.560 0.000) 18.068 1.021 ( -1.965 13.975 0.000) 14.112 2.022 ( 9.070 -3.133 0.000) 9.596 2.154 ( -5.337 23.299 0.000) 23.902 2.208 ( 4.109 -2.804 0.000) 4.975 2.390 ( -7.121 5.819 0.000) 9.196 2.591 ( -1.269 -9.746 0.000) 9.828 2.633 ( -1.006 -0.745 0.000) 1.252 3.202 ( 5.255 4.996 0.000) 7.251 3.261 ( 4.448 -1.121 0.000) 4.587 3.538 ( -6.123 5.165 0.000) 8.011 3.587 ( 6.048 -15.931 0.000) 17.040 3.958 ( -1.963 2.173 0.000) 2.928 4.417 ( 0.865 4.421 0.000) 4.505 4.780 ( -5.814 13.216 0.000) 14.438 4.788 ( 1.988 -7.739 0.000) 7.991 5.398 ( -1.151 -1.304 0.000) 1.739 5.546 ( 0.258 -1.763 0.000) 1.782 6.019 ( 0.461 -2.403 0.000) 2.447 6.041 ( 0.104 -2.851 0.000) 2.853 6.319 ( 2.233 6.918 0.000) 7.269 6.385 ( -0.333 -11.840 0.000) 11.845 6.638 ( -1.086 7.210 0.000) 7.291 7.269 ( -3.313 -12.217 0.000) 12.659 8.304 ( -0.121 5.477 0.000) 5.478 8.426 ( 0.466 5.017 0.000) 5.039 8.438 ( -0.685 1.688 0.000) 1.822 8.772 ( 7.964 -2.893 0.000) 8.473 9.080 ( -6.488 0.246 0.000) 6.493 9.103 ( 0.519 4.214 0.000) 4.246 9.275 ( -0.399 2.225 0.000) 2.261 9.342 ( -0.760 -7.948 0.000) 7.984 10.250 ( 0.584 1.205 0.000) 1.339 10.405 ( 3.302 -4.271 0.000) 5.398 10.724 ( -3.174 -2.398 0.000) 3.978 10.891 ( -0.212 -1.654 0.000) 1.668 11.006 ( 0.260 -1.632 0.000) 1.652 11.213 ( 0.616 -0.253 0.000) 0.666 11.326 ( -0.445 0.926 0.000) 1.027 11.541 ( 5.369 -5.372 0.000) 7.595 12.989 ( -0.030 -0.828 0.000) 0.829 13.027 ( 0.332 -1.003 0.000) 1.056 13.713 ( -0.201 0.477 0.000) 0.518 13.768 ( -0.076 0.381 0.000) 0.388 14.562 ( 0.177 -0.331 0.000) 0.376 14.669 ( -0.019 -0.372 0.000) 0.372 25.269 ( -0.132 0.347 0.000) 0.371 25.503 ( -0.082 0.444 0.000) 0.452 26.226 ( -8.025 3.488 0.000) 8.750 26.837 ( 10.128 5.419 0.000) 11.487 27.107 ( -8.300 -0.711 0.000) 8.330 27.460 ( -0.052 0.460 0.000) 0.463 28.367 ( 0.613 -4.936 0.000) 4.974 28.756 ( 0.545 -1.204 0.000) 1.321 ======================= Grid point 16 (12/84) ======================= q-point: (-0.12 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 0.000 16.707 0.000) 16.707 0.708 ( 0.000 16.863 0.000) 16.863 1.546 ( 0.000 34.521 0.000) 34.521 2.127 ( -0.000 -1.372 0.000) 1.372 2.203 ( 0.000 8.802 0.000) 8.802 2.277 ( -0.000 -2.944 0.000) 2.944 2.546 ( 0.000 4.389 0.000) 4.389 2.856 ( -0.000 -11.902 0.000) 11.902 3.125 ( 0.000 5.063 0.000) 5.063 3.318 ( -0.000 -2.147 0.000) 2.147 3.402 ( 0.000 4.958 0.000) 4.958 3.901 ( -0.000 -13.302 0.000) 13.302 3.932 ( 0.000 0.150 0.000) 0.150 4.325 ( 0.000 4.905 0.000) 4.905 4.524 ( 0.000 10.420 0.000) 10.420 4.921 ( -0.000 -4.710 0.000) 4.710 5.445 ( -0.000 -3.704 0.000) 3.704 5.549 ( 0.000 0.339 0.000) 0.339 6.095 ( -0.000 -2.581 0.000) 2.581 6.097 ( -0.000 -5.014 0.000) 5.014 6.209 ( 0.000 4.865 0.000) 4.865 6.512 ( 0.000 4.305 0.000) 4.305 6.621 ( -0.000 -10.889 0.000) 10.889 7.479 ( -0.000 -10.212 0.000) 10.212 8.184 ( 0.000 6.369 0.000) 6.369 8.275 ( 0.000 9.588 0.000) 9.588 8.414 ( 0.000 0.650 0.000) 0.650 8.860 ( -0.000 -2.043 0.000) 2.043 9.023 ( 0.000 2.573 0.000) 2.573 9.066 ( 0.000 0.384 0.000) 0.384 9.274 ( -0.000 -2.752 0.000) 2.752 9.473 ( -0.000 -5.687 0.000) 5.687 10.172 ( 0.000 6.374 0.000) 6.374 10.488 ( -0.000 -2.392 0.000) 2.392 10.795 ( -0.000 -5.233 0.000) 5.233 10.937 ( -0.000 -2.874 0.000) 2.874 11.044 ( -0.000 -2.063 0.000) 2.063 11.216 ( 0.000 0.399 0.000) 0.399 11.304 ( 0.000 1.044 0.000) 1.044 11.686 ( -0.000 -6.563 0.000) 6.563 13.007 ( -0.000 -0.910 0.000) 0.910 13.056 ( -0.000 -1.671 0.000) 1.671 13.699 ( 0.000 0.785 0.000) 0.785 13.758 ( 0.000 0.503 0.000) 0.503 14.571 ( -0.000 -0.472 0.000) 0.472 14.678 ( -0.000 -0.497 0.000) 0.497 25.261 ( 0.000 0.377 0.000) 0.377 25.493 ( 0.000 0.486 0.000) 0.486 26.103 ( 0.000 4.516 0.000) 4.516 26.752 ( 0.000 6.419 0.000) 6.419 27.135 ( -0.000 -4.754 0.000) 4.754 27.439 ( 0.000 1.602 0.000) 1.602 28.466 ( -0.000 -4.093 0.000) 4.093 28.799 ( -0.000 -3.126 0.000) 3.126 ======================= Grid point 19 (13/84) ======================= q-point: ( 0.25 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 17.989 -0.000 0.000) 17.989 0.573 ( 18.630 -0.000 0.000) 18.630 1.461 ( 40.499 -0.000 0.000) 40.499 2.061 ( -18.705 0.000 0.000) 18.705 2.243 ( 15.746 -0.000 0.000) 15.746 2.249 ( 4.569 -0.000 0.000) 4.569 2.315 ( -3.438 0.000 0.000) 3.438 2.800 ( -23.758 0.000 0.000) 23.758 2.811 ( -3.572 0.000 0.000) 3.572 3.283 ( 7.434 -0.000 0.000) 7.434 3.674 ( 13.410 -0.000 0.000) 13.410 3.824 ( -21.339 0.000 0.000) 21.339 4.074 ( 9.294 -0.000 0.000) 9.294 4.173 ( -2.632 0.000 0.000) 2.632 4.615 ( 15.592 -0.000 0.000) 15.592 4.871 ( -8.195 0.000 0.000) 8.195 5.562 ( 0.440 -0.000 0.000) 0.440 5.677 ( 6.703 -0.000 0.000) 6.703 6.032 ( -4.806 0.000 0.000) 4.806 6.142 ( -0.336 0.000 0.000) 0.336 6.212 ( -1.612 0.000 0.000) 1.612 6.350 ( -7.576 0.000 0.000) 7.576 7.056 ( 2.092 -0.000 0.000) 2.092 7.959 ( -16.242 0.000 0.000) 16.242 8.008 ( -0.629 0.000 0.000) 0.629 8.034 ( -0.026 0.000 0.000) 0.026 8.439 ( 2.718 -0.000 0.000) 2.718 8.970 ( 0.832 -0.000 0.000) 0.832 9.027 ( -2.132 0.000 0.000) 2.132 9.218 ( 10.369 -0.000 0.000) 10.369 9.525 ( 2.756 -0.000 0.000) 2.756 9.643 ( 2.783 -0.000 0.000) 2.783 9.792 ( 0.234 -0.000 0.000) 0.234 9.948 ( -1.326 0.000 0.000) 1.326 10.889 ( -1.528 0.000 0.000) 1.528 11.009 ( -0.303 0.000 0.000) 0.303 11.070 ( -1.480 0.000 0.000) 1.480 11.178 ( -0.762 0.000 0.000) 0.762 11.238 ( -14.204 0.000 0.000) 14.204 11.294 ( 0.750 -0.000 0.000) 0.750 13.050 ( 1.105 -0.000 0.000) 1.105 13.087 ( 0.120 -0.000 0.000) 0.120 13.679 ( -0.057 0.000 0.000) 0.057 13.747 ( -1.140 0.000 0.000) 1.140 14.569 ( 0.125 -0.000 0.000) 0.125 14.697 ( 0.353 -0.000 0.000) 0.353 25.250 ( -0.124 0.000 0.000) 0.124 25.477 ( -0.275 0.000 0.000) 0.275 26.450 ( -5.937 0.000 0.000) 5.937 27.314 ( 8.480 -0.000 0.000) 8.480 27.335 ( 1.883 -0.000 0.000) 1.883 27.443 ( 1.128 -0.000 0.000) 1.128 28.458 ( -0.305 0.000 0.000) 0.305 28.875 ( -1.676 0.000 0.000) 1.676 ======================= Grid point 20 (14/84) ======================= q-point: ( 0.38 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 17.130 -10.672 0.000) 20.182 0.865 ( 10.260 -13.246 0.000) 16.755 1.856 ( 30.973 -7.546 0.000) 31.879 1.924 ( -19.650 -1.522 0.000) 19.709 2.146 ( 10.458 6.720 0.000) 12.431 2.278 ( -3.220 1.057 0.000) 3.389 2.415 ( 0.480 -3.344 0.000) 3.378 2.760 ( -11.819 -9.438 0.000) 15.125 2.801 ( -2.230 -0.926 0.000) 2.414 3.315 ( 6.588 1.994 0.000) 6.883 3.599 ( -21.244 4.559 0.000) 21.728 3.778 ( 11.009 -0.061 0.000) 11.009 4.106 ( 5.716 1.311 0.000) 5.865 4.220 ( 2.392 -3.471 0.000) 4.215 4.768 ( -10.399 2.934 0.000) 10.805 4.786 ( 13.087 -5.607 0.000) 14.237 5.556 ( 0.986 0.982 0.000) 1.392 5.711 ( 6.645 2.278 0.000) 7.025 6.007 ( -5.631 -0.835 0.000) 5.693 6.119 ( -0.328 2.306 0.000) 2.329 6.156 ( -1.498 3.833 0.000) 4.115 6.268 ( -9.477 0.120 0.000) 9.478 7.038 ( 4.441 3.921 0.000) 5.924 7.760 ( -11.229 7.893 0.000) 13.726 8.065 ( -0.345 -5.545 0.000) 5.556 8.088 ( -0.400 -5.679 0.000) 5.693 8.479 ( 3.656 -1.550 0.000) 3.971 8.990 ( 2.434 1.172 0.000) 2.701 9.012 ( -1.690 -0.141 0.000) 1.695 9.165 ( 13.866 10.608 0.000) 17.459 9.408 ( 0.995 5.091 0.000) 5.187 9.632 ( 2.311 3.295 0.000) 4.025 9.885 ( -10.342 -6.183 0.000) 12.050 10.074 ( -2.201 -8.914 0.000) 9.182 10.904 ( 1.097 -1.782 0.000) 2.093 10.987 ( -0.169 1.504 0.000) 1.513 11.070 ( -0.155 0.147 0.000) 0.214 11.138 ( -1.984 1.872 0.000) 2.728 11.146 ( -14.038 -2.220 0.000) 14.213 11.322 ( 0.818 -1.579 0.000) 1.778 13.045 ( 0.586 1.264 0.000) 1.393 13.079 ( 0.520 0.931 0.000) 1.067 13.684 ( -0.175 -0.553 0.000) 0.580 13.744 ( -0.842 -0.492 0.000) 0.975 14.568 ( 0.083 0.212 0.000) 0.228 14.694 ( 0.259 0.510 0.000) 0.572 25.254 ( -0.068 -0.439 0.000) 0.444 25.480 ( -0.216 -0.509 0.000) 0.553 26.415 ( -5.238 -0.605 0.000) 5.272 27.196 ( 14.050 13.069 0.000) 19.189 27.339 ( 1.770 1.047 0.000) 2.057 27.488 ( 0.890 -0.633 0.000) 1.092 28.455 ( -0.348 0.472 0.000) 0.586 28.807 ( -2.080 4.707 0.000) 5.146 ======================= Grid point 21 (15/84) ======================= q-point: ( 0.50 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 17.817 -11.303 0.000) 21.100 1.189 ( 3.109 -14.685 0.000) 15.010 1.815 ( -19.818 -4.048 0.000) 20.227 1.890 ( 6.270 11.941 0.000) 13.487 2.231 ( -3.325 0.862 0.000) 3.435 2.379 ( 4.579 -7.832 0.000) 9.072 2.516 ( 10.016 -11.921 0.000) 15.570 2.798 ( -0.988 0.195 0.000) 1.007 2.849 ( -6.090 -4.299 0.000) 7.455 3.324 ( 5.733 1.874 0.000) 6.032 3.372 ( -11.053 4.111 0.000) 11.793 3.812 ( 5.429 3.529 0.000) 6.475 4.178 ( 8.337 -2.654 0.000) 8.749 4.283 ( 0.534 -1.135 0.000) 1.255 4.616 ( -10.501 2.880 0.000) 10.888 5.027 ( 9.751 -9.415 0.000) 13.554 5.539 ( 1.560 2.130 0.000) 2.640 5.641 ( 0.306 9.578 0.000) 9.583 5.950 ( -7.799 -0.815 0.000) 7.842 6.036 ( -1.120 4.434 0.000) 4.573 6.085 ( -0.355 2.810 0.000) 2.832 6.286 ( -2.237 -6.945 0.000) 7.297 6.982 ( 5.242 5.608 0.000) 7.677 7.492 ( -7.570 11.877 0.000) 14.085 8.194 ( 0.679 -7.244 0.000) 7.276 8.229 ( -1.405 -8.494 0.000) 8.610 8.552 ( 4.444 -2.549 0.000) 5.123 8.881 ( 10.506 14.581 0.000) 17.972 9.013 ( -0.949 -1.278 0.000) 1.592 9.111 ( -2.571 0.225 0.000) 2.581 9.369 ( 1.275 0.728 0.000) 1.468 9.551 ( 1.444 6.525 0.000) 6.683 9.939 ( -9.063 -8.099 0.000) 12.154 10.171 ( -2.696 -4.127 0.000) 4.930 10.902 ( -1.867 2.928 0.000) 3.472 10.961 ( 0.786 1.411 0.000) 1.616 11.017 ( -0.743 3.847 0.000) 3.918 11.132 ( -1.467 -2.070 0.000) 2.538 11.165 ( -3.835 -7.506 0.000) 8.429 11.351 ( 0.616 -0.655 0.000) 0.899 13.015 ( -0.037 1.682 0.000) 1.682 13.061 ( 0.801 1.498 0.000) 1.699 13.696 ( -0.322 -0.770 0.000) 0.835 13.753 ( -0.382 -0.833 0.000) 0.916 14.563 ( 0.085 0.305 0.000) 0.317 14.683 ( 0.105 0.732 0.000) 0.739 25.264 ( -0.016 -0.551 0.000) 0.551 25.492 ( -0.144 -0.745 0.000) 0.759 26.382 ( -4.475 0.135 0.000) 4.477 27.096 ( 15.451 9.481 0.000) 18.128 27.315 ( -0.175 2.543 0.000) 2.549 27.479 ( -0.932 0.964 0.000) 1.341 28.411 ( -0.439 4.085 0.000) 4.109 28.714 ( -1.794 1.883 0.000) 2.601 ======================= Grid point 22 (16/84) ======================= q-point: ( 0.62 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 8.674 3.447 0.000) 9.334 1.431 ( 0.105 -2.626 0.000) 2.628 1.724 ( 0.822 1.211 0.000) 1.464 1.872 ( -7.995 -16.278 0.000) 18.135 2.199 ( -3.846 -0.555 0.000) 3.886 2.436 ( -2.386 -1.695 0.000) 2.927 2.756 ( -3.348 4.392 0.000) 5.523 2.772 ( 0.208 2.162 0.000) 2.172 2.957 ( 6.513 -15.776 0.000) 17.068 3.283 ( 0.082 1.636 0.000) 1.638 3.331 ( 3.944 1.630 0.000) 4.268 3.746 ( 1.084 5.422 0.000) 5.529 4.165 ( 0.713 7.642 0.000) 7.675 4.393 ( 3.712 -8.680 0.000) 9.441 4.535 ( -5.617 -0.696 0.000) 5.660 5.269 ( 3.195 -5.895 0.000) 6.705 5.376 ( -2.135 11.100 0.000) 11.304 5.485 ( 0.694 4.201 0.000) 4.257 5.975 ( -0.449 0.770 0.000) 0.891 5.977 ( -4.178 -6.623 0.000) 7.831 6.032 ( -0.065 2.274 0.000) 2.275 6.430 ( 1.268 -5.813 0.000) 5.950 6.928 ( 5.709 2.946 0.000) 6.424 7.184 ( -6.603 13.705 0.000) 15.213 8.336 ( 1.305 -5.515 0.000) 5.667 8.361 ( -1.627 -5.992 0.000) 6.209 8.643 ( 3.213 -2.307 0.000) 3.955 8.665 ( 4.476 10.922 0.000) 11.804 9.060 ( -0.391 -4.440 0.000) 4.457 9.078 ( -4.783 0.101 0.000) 4.784 9.369 ( 0.961 0.833 0.000) 1.271 9.407 ( 0.604 8.824 0.000) 8.844 10.058 ( -3.070 -8.539 0.000) 9.074 10.230 ( -0.819 -4.009 0.000) 4.092 10.806 ( -2.101 4.344 0.000) 4.825 10.922 ( 0.568 3.212 0.000) 3.262 10.971 ( -0.621 -0.044 0.000) 0.623 11.167 ( -0.395 -2.029 0.000) 2.067 11.313 ( 1.374 -7.400 0.000) 7.526 11.357 ( 0.231 0.374 0.000) 0.439 12.988 ( -0.070 0.968 0.000) 0.970 13.037 ( 0.440 1.351 0.000) 1.420 13.708 ( -0.259 -0.645 0.000) 0.695 13.766 ( -0.096 -0.594 0.000) 0.601 14.559 ( 0.077 0.177 0.000) 0.193 14.671 ( 0.019 0.509 0.000) 0.509 25.272 ( -0.043 -0.257 0.000) 0.261 25.504 ( -0.075 -0.491 0.000) 0.497 26.335 ( -3.129 1.662 0.000) 3.543 27.054 ( 13.529 6.853 0.000) 15.166 27.218 ( -6.839 4.694 0.000) 8.295 27.460 ( -0.356 0.190 0.000) 0.404 28.321 ( -0.384 3.444 0.000) 3.465 28.708 ( -0.428 -1.373 0.000) 1.439 ======================= Grid point 23 (17/84) ======================= q-point: (-0.25 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 0.000 13.888 0.000) 13.888 1.261 ( 0.000 10.879 0.000) 10.879 1.900 ( -0.000 -11.049 0.000) 11.049 2.191 ( -0.000 -1.119 0.000) 1.119 2.229 ( -0.000 -19.381 0.000) 19.381 2.415 ( 0.000 3.725 0.000) 3.725 2.552 ( 0.000 13.488 0.000) 13.488 2.716 ( 0.000 3.731 0.000) 3.731 3.266 ( -0.000 -0.104 0.000) 0.104 3.301 ( -0.000 -15.559 0.000) 15.559 3.306 ( 0.000 3.057 0.000) 3.057 3.631 ( 0.000 6.244 0.000) 6.244 4.024 ( 0.000 5.656 0.000) 5.656 4.489 ( 0.000 2.271 0.000) 2.271 4.615 ( -0.000 -10.218 0.000) 10.218 5.033 ( 0.000 14.935 0.000) 14.935 5.411 ( 0.000 2.864 0.000) 2.864 5.477 ( -0.000 -6.128 0.000) 6.128 5.991 ( -0.000 -2.069 0.000) 2.069 6.003 ( 0.000 0.484 0.000) 0.484 6.138 ( -0.000 -11.370 0.000) 11.370 6.451 ( 0.000 4.269 0.000) 4.269 6.860 ( 0.000 14.044 0.000) 14.044 7.033 ( -0.000 -9.189 0.000) 9.189 8.376 ( 0.000 1.456 0.000) 1.456 8.449 ( -0.000 -2.553 0.000) 2.553 8.502 ( 0.000 5.624 0.000) 5.624 8.738 ( -0.000 -3.825 0.000) 3.825 9.050 ( 0.000 0.195 0.000) 0.195 9.181 ( -0.000 -7.778 0.000) 7.778 9.234 ( 0.000 8.539 0.000) 8.539 9.335 ( 0.000 2.967 0.000) 2.967 10.196 ( -0.000 -6.070 0.000) 6.070 10.320 ( -0.000 -5.165 0.000) 5.165 10.720 ( 0.000 2.962 0.000) 2.962 10.882 ( 0.000 0.845 0.000) 0.845 10.981 ( -0.000 -1.015 0.000) 1.015 11.199 ( -0.000 -1.322 0.000) 1.322 11.344 ( 0.000 0.908 0.000) 0.908 11.450 ( -0.000 -5.948 0.000) 5.948 12.979 ( -0.000 -0.121 0.000) 0.121 13.021 ( 0.000 0.292 0.000) 0.292 13.715 ( -0.000 -0.164 0.000) 0.164 13.771 ( -0.000 -0.028 0.000) 0.028 14.558 ( -0.000 -0.089 0.000) 0.089 14.665 ( 0.000 0.038 0.000) 0.038 25.273 ( 0.000 0.117 0.000) 0.117 25.508 ( 0.000 0.051 0.000) 0.051 26.271 ( 0.000 3.370 0.000) 3.370 27.016 ( 0.000 6.488 0.000) 6.488 27.072 ( 0.000 2.600 0.000) 2.600 27.461 ( -0.000 -0.195 0.000) 0.195 28.300 ( -0.000 -1.537 0.000) 1.537 28.735 ( -0.000 -1.300 0.000) 1.300 ======================= Grid point 28 (18/84) ======================= q-point: ( 0.38 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 16.441 -0.000 0.000) 16.441 0.848 ( 14.911 -0.000 0.000) 14.911 1.758 ( -18.131 0.000 0.000) 18.131 2.000 ( 25.708 -0.000 0.000) 25.708 2.272 ( -1.881 0.000 0.000) 1.881 2.277 ( -2.991 0.000 0.000) 2.991 2.486 ( -12.571 0.000 0.000) 12.571 2.523 ( 19.515 -0.000 0.000) 19.515 2.776 ( -1.220 0.000 0.000) 1.220 3.375 ( 3.899 -0.000 0.000) 3.899 3.450 ( -24.838 0.000 0.000) 24.838 3.862 ( 10.239 -0.000 0.000) 10.239 4.117 ( -4.418 0.000 0.000) 4.418 4.258 ( 13.442 -0.000 0.000) 13.442 4.711 ( -11.827 0.000 0.000) 11.827 4.820 ( 9.690 -0.000 0.000) 9.690 5.567 ( 0.126 -0.000 0.000) 0.126 5.800 ( 9.112 -0.000 0.000) 9.112 5.959 ( -3.966 0.000 0.000) 3.966 6.141 ( 0.279 -0.000 0.000) 0.279 6.185 ( -12.511 0.000 0.000) 12.511 6.187 ( -1.540 0.000 0.000) 1.540 7.108 ( 3.859 -0.000 0.000) 3.859 7.744 ( -10.327 0.000 0.000) 10.327 7.999 ( -0.397 0.000 0.000) 0.397 8.033 ( -0.068 0.000 0.000) 0.068 8.488 ( 3.020 -0.000 0.000) 3.020 8.979 ( 0.318 -0.000 0.000) 0.318 8.998 ( -1.352 0.000 0.000) 1.352 9.344 ( 5.432 -0.000 0.000) 5.432 9.570 ( 2.673 -0.000 0.000) 2.673 9.681 ( 1.828 -0.000 0.000) 1.828 9.795 ( 0.155 -0.000 0.000) 0.155 9.920 ( -2.008 0.000 0.000) 2.008 10.868 ( -0.938 0.000 0.000) 0.938 11.005 ( -0.246 0.000 0.000) 0.246 11.031 ( -10.590 0.000 0.000) 10.590 11.050 ( -0.947 0.000 0.000) 0.947 11.167 ( -0.523 0.000 0.000) 0.523 11.304 ( 0.435 -0.000 0.000) 0.435 13.066 ( 0.809 -0.000 0.000) 0.809 13.090 ( 0.148 -0.000 0.000) 0.148 13.678 ( -0.099 0.000 0.000) 0.099 13.731 ( -0.814 0.000 0.000) 0.814 14.571 ( 0.097 -0.000 0.000) 0.097 14.702 ( 0.235 -0.000 0.000) 0.235 25.248 ( -0.100 0.000 0.000) 0.100 25.473 ( -0.190 0.000 0.000) 0.190 26.375 ( -3.336 0.000 0.000) 3.336 27.362 ( 1.369 -0.000 0.000) 1.369 27.424 ( 5.081 -0.000 0.000) 5.081 27.459 ( 0.793 -0.000 0.000) 0.793 28.454 ( -0.186 0.000 0.000) 0.186 28.851 ( -1.223 0.000 0.000) 1.223 ======================= Grid point 29 (19/84) ======================= q-point: ( 0.50 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 5.375 -6.502 0.000) 8.436 1.067 ( 13.087 -11.663 0.000) 17.530 1.633 ( -14.300 -0.075 0.000) 14.300 2.198 ( 10.858 5.408 0.000) 12.131 2.245 ( -1.039 1.515 0.000) 1.837 2.296 ( 0.233 2.227 0.000) 2.239 2.331 ( 0.473 -10.422 0.000) 10.432 2.751 ( 5.952 -4.380 0.000) 7.390 2.780 ( -0.570 -0.911 0.000) 1.075 3.285 ( -15.295 -1.702 0.000) 15.389 3.385 ( 2.186 1.192 0.000) 2.490 3.916 ( 5.586 2.260 0.000) 6.026 4.112 ( -2.052 -3.659 0.000) 4.195 4.364 ( 13.010 0.698 0.000) 13.029 4.580 ( -13.104 2.946 0.000) 13.431 4.936 ( 5.231 -5.629 0.000) 7.685 5.566 ( 0.328 0.235 0.000) 0.403 5.819 ( 6.709 5.470 0.000) 8.656 5.921 ( -5.156 2.328 0.000) 5.657 6.120 ( 0.451 3.223 0.000) 3.255 6.128 ( -6.407 -5.254 0.000) 8.286 6.134 ( -1.172 3.051 0.000) 3.268 7.102 ( 2.748 3.280 0.000) 4.279 7.617 ( -5.426 6.313 0.000) 8.325 8.061 ( -0.141 -6.075 0.000) 6.076 8.083 ( -0.168 -5.008 0.000) 5.011 8.530 ( 2.076 -2.105 0.000) 2.957 8.993 ( -0.648 -0.321 0.000) 0.723 9.006 ( 0.302 -2.068 0.000) 2.090 9.358 ( 7.361 5.567 0.000) 9.229 9.433 ( 3.265 14.985 0.000) 15.337 9.659 ( 0.910 3.466 0.000) 3.583 9.718 ( -9.083 -5.598 0.000) 10.670 10.060 ( -0.228 -6.624 0.000) 6.627 10.920 ( 0.720 -1.165 0.000) 1.369 10.982 ( -5.871 -5.373 0.000) 7.959 10.985 ( -0.097 1.161 0.000) 1.165 11.071 ( 0.185 -1.711 0.000) 1.720 11.113 ( -0.990 3.987 0.000) 4.108 11.331 ( 0.281 -1.696 0.000) 1.719 13.050 ( 0.156 1.685 0.000) 1.692 13.087 ( 0.360 0.593 0.000) 0.694 13.682 ( -0.113 -0.449 0.000) 0.463 13.733 ( -0.369 -0.700 0.000) 0.791 14.569 ( 0.055 0.226 0.000) 0.232 14.697 ( 0.103 0.571 0.000) 0.581 25.253 ( -0.039 -0.488 0.000) 0.490 25.478 ( -0.103 -0.530 0.000) 0.539 26.357 ( -1.869 -0.125 0.000) 1.874 27.336 ( 2.585 4.431 0.000) 5.130 27.382 ( 4.712 4.481 0.000) 6.503 27.478 ( -1.902 0.053 0.000) 1.903 28.453 ( 0.001 0.427 0.000) 0.427 28.782 ( -0.883 5.255 0.000) 5.328 ======================= Grid point 30 (20/84) ======================= q-point: ( 0.62 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -0.000 -13.467 0.000) 13.467 1.445 ( -0.000 -19.046 0.000) 19.046 1.529 ( 0.000 3.257 0.000) 3.257 1.956 ( 0.000 16.160 0.000) 16.160 2.207 ( 0.000 1.684 0.000) 1.684 2.356 ( -0.000 -5.012 0.000) 5.012 2.658 ( -0.000 -16.925 0.000) 16.925 2.791 ( -0.000 -0.081 0.000) 0.081 2.791 ( 0.000 0.396 0.000) 0.396 3.280 ( -0.000 -1.607 0.000) 1.607 3.370 ( 0.000 1.186 0.000) 1.186 3.858 ( 0.000 5.010 0.000) 5.010 4.230 ( -0.000 -8.221 0.000) 8.221 4.343 ( 0.000 8.736 0.000) 8.736 4.489 ( -0.000 -1.507 0.000) 1.507 5.108 ( -0.000 -9.389 0.000) 9.389 5.551 ( 0.000 1.888 0.000) 1.888 5.639 ( 0.000 13.725 0.000) 13.725 5.883 ( -0.000 -1.520 0.000) 1.520 6.027 ( 0.000 4.551 0.000) 4.551 6.082 ( 0.000 2.662 0.000) 2.662 6.269 ( -0.000 -9.477 0.000) 9.477 7.029 ( 0.000 4.912 0.000) 4.912 7.420 ( 0.000 11.611 0.000) 11.611 8.208 ( -0.000 -7.439 0.000) 7.439 8.209 ( -0.000 -8.268 0.000) 8.268 8.593 ( -0.000 -3.244 0.000) 3.244 9.005 ( -0.000 -1.404 0.000) 1.404 9.012 ( 0.000 20.944 0.000) 20.944 9.048 ( -0.000 -1.440 0.000) 1.440 9.379 ( 0.000 0.166 0.000) 0.166 9.563 ( 0.000 6.653 0.000) 6.653 9.858 ( -0.000 -10.092 0.000) 10.092 10.151 ( -0.000 -3.818 0.000) 3.818 10.874 ( 0.000 3.337 0.000) 3.337 10.969 ( 0.000 0.434 0.000) 0.434 11.010 ( 0.000 5.067 0.000) 5.067 11.120 ( -0.000 -2.496 0.000) 2.496 11.147 ( -0.000 -9.765 0.000) 9.765 11.356 ( -0.000 -0.638 0.000) 0.638 13.015 ( 0.000 1.769 0.000) 1.769 13.068 ( 0.000 1.482 0.000) 1.482 13.693 ( -0.000 -0.709 0.000) 0.709 13.749 ( -0.000 -0.953 0.000) 0.953 14.564 ( 0.000 0.299 0.000) 0.299 14.684 ( 0.000 0.769 0.000) 0.769 25.264 ( -0.000 -0.555 0.000) 0.555 25.490 ( -0.000 -0.761 0.000) 0.761 26.346 ( 0.000 0.595 0.000) 0.595 27.265 ( 0.000 5.093 0.000) 5.093 27.275 ( 0.000 7.167 0.000) 7.167 27.463 ( 0.000 0.354 0.000) 0.354 28.408 ( 0.000 4.454 0.000) 4.454 28.699 ( 0.000 1.580 0.000) 1.580 ======================= Grid point 39 (21/84) ======================= q-point: (-0.50 -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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 0.000 -0.000 0.000) 0.000 0.992 ( 0.000 -0.000 0.000) 0.000 1.579 ( -0.000 0.000 0.000) 0.000 2.206 ( -0.000 0.000 0.000) 0.000 2.209 ( 0.000 -0.000 0.000) 0.000 2.258 ( 0.000 -0.000 0.000) 0.000 2.418 ( 0.000 -0.000 0.000) 0.000 2.767 ( -0.000 0.000 0.000) 0.000 2.771 ( 0.000 -0.000 0.000) 0.000 3.160 ( -0.000 0.000 0.000) 0.000 3.405 ( 0.000 -0.000 0.000) 0.000 3.971 ( -0.000 0.000 0.000) 0.000 4.055 ( 0.000 -0.000 0.000) 0.000 4.443 ( -0.000 0.000 0.000) 0.000 4.541 ( 0.000 -0.000 0.000) 0.000 4.901 ( -0.000 0.000 0.000) 0.000 5.567 ( 0.000 -0.000 0.000) 0.000 5.924 ( 0.000 -0.000 0.000) 0.000 5.941 ( 0.000 -0.000 0.000) 0.000 6.012 ( 0.000 -0.000 0.000) 0.000 6.147 ( 0.000 -0.000 0.000) 0.000 6.171 ( 0.000 -0.000 0.000) 0.000 7.146 ( 0.000 -0.000 0.000) 0.000 7.657 ( 0.000 -0.000 0.000) 0.000 7.996 ( 0.000 -0.000 0.000) 0.000 8.033 ( -0.000 0.000 0.000) 0.000 8.515 ( -0.000 0.000 0.000) 0.000 8.981 ( 0.000 -0.000 0.000) 0.000 8.987 ( 0.000 -0.000 0.000) 0.000 9.387 ( 0.000 -0.000 0.000) 0.000 9.595 ( 0.000 -0.000 0.000) 0.000 9.697 ( 0.000 -0.000 0.000) 0.000 9.796 ( 0.000 -0.000 0.000) 0.000 9.899 ( 0.000 -0.000 0.000) 0.000 10.862 ( -0.000 0.000 0.000) 0.000 10.940 ( 0.000 -0.000 0.000) 0.000 11.003 ( 0.000 -0.000 0.000) 0.000 11.042 ( 0.000 -0.000 0.000) 0.000 11.163 ( -0.000 0.000 0.000) 0.000 11.307 ( 0.000 -0.000 0.000) 0.000 13.072 ( 0.000 -0.000 0.000) 0.000 13.091 ( 0.000 -0.000 0.000) 0.000 13.677 ( 0.000 -0.000 0.000) 0.000 13.724 ( 0.000 -0.000 0.000) 0.000 14.572 ( 0.000 -0.000 0.000) 0.000 14.704 ( 0.000 -0.000 0.000) 0.000 25.247 ( 0.000 -0.000 0.000) 0.000 25.472 ( 0.000 -0.000 0.000) 0.000 26.349 ( 0.000 -0.000 0.000) 0.000 27.374 ( 0.000 -0.000 0.000) 0.000 27.465 ( 0.000 -0.000 0.000) 0.000 27.466 ( 0.000 -0.000 0.000) 0.000 28.453 ( 0.000 -0.000 0.000) 0.000 28.841 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 69 (22/84) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( 0.000 0.000 17.954) 17.954 0.395 ( 0.000 0.000 18.696) 18.696 0.901 ( 0.000 0.000 41.159) 41.159 1.904 ( 0.000 0.000 -5.366) 5.366 2.041 ( 0.000 0.000 -8.352) 8.352 2.442 ( 0.000 0.000 3.429) 3.429 2.562 ( 0.000 0.000 6.753) 6.753 3.092 ( 0.000 0.000 7.615) 7.615 3.109 ( 0.000 0.000 1.373) 1.373 3.330 ( 0.000 0.000 2.782) 2.782 3.453 ( 0.000 0.000 7.510) 7.510 3.844 ( 0.000 0.000 -8.826) 8.826 4.140 ( 0.000 0.000 -3.042) 3.042 4.264 ( 0.000 0.000 6.095) 6.095 4.295 ( 0.000 0.000 6.904) 6.904 4.941 ( 0.000 0.000 -5.990) 5.990 5.498 ( 0.000 0.000 -4.869) 4.869 5.505 ( 0.000 0.000 -4.560) 4.560 6.098 ( 0.000 0.000 0.257) 0.257 6.178 ( 0.000 0.000 -5.529) 5.529 6.272 ( 0.000 0.000 8.405) 8.405 6.325 ( 0.000 0.000 -9.129) 9.129 6.771 ( 0.000 0.000 -6.795) 6.795 7.545 ( 0.000 0.000 -10.242) 10.242 8.213 ( 0.000 0.000 10.997) 10.997 8.248 ( 0.000 0.000 16.056) 16.056 8.439 ( 0.000 0.000 3.455) 3.455 8.877 ( 0.000 0.000 -1.809) 1.809 8.950 ( 0.000 0.000 0.113) 0.113 9.301 ( 0.000 0.000 -7.054) 7.054 9.430 ( 0.000 0.000 -4.202) 4.202 9.709 ( 0.000 0.000 8.627) 8.627 9.847 ( 0.000 0.000 7.071) 7.071 9.899 ( 0.000 0.000 -6.303) 6.303 10.779 ( 0.000 0.000 -9.737) 9.737 11.148 ( 0.000 0.000 -9.650) 9.650 11.206 ( 0.000 0.000 6.226) 6.226 11.220 ( 0.000 0.000 2.376) 2.376 11.608 ( 0.000 0.000 6.391) 6.391 11.978 ( 0.000 0.000 -0.587) 0.587 13.026 ( 0.000 0.000 -0.156) 0.156 13.078 ( 0.000 0.000 -0.752) 0.752 13.679 ( 0.000 0.000 0.031) 0.031 13.740 ( 0.000 0.000 -0.593) 0.593 14.572 ( 0.000 0.000 0.506) 0.506 14.683 ( 0.000 0.000 -0.635) 0.635 25.265 ( 0.000 0.000 1.176) 1.176 25.472 ( 0.000 0.000 -0.955) 0.955 26.025 ( 0.000 0.000 2.466) 2.466 26.574 ( 0.000 0.000 -3.164) 3.164 27.131 ( 0.000 0.000 2.461) 2.461 27.309 ( 0.000 0.000 0.934) 0.934 28.470 ( 0.000 0.000 0.519) 0.519 28.866 ( 0.000 0.000 -3.857) 3.857 ======================= Grid point 70 (23/84) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 14.236 -9.210 11.972) 20.756 0.796 ( 4.182 -20.963 15.176) 26.216 1.070 ( 10.108 -17.064 26.822) 33.358 1.954 ( -2.495 -3.042 -5.410) 6.690 2.081 ( 7.719 -3.259 -7.775) 11.431 2.403 ( -1.184 2.590 5.490) 6.184 2.553 ( -4.633 -2.216 8.179) 9.657 3.024 ( -9.498 1.964 3.509) 10.314 3.101 ( 1.214 0.538 3.329) 3.585 3.367 ( -1.412 2.489 3.854) 4.800 3.428 ( 4.670 -2.144 5.368) 7.431 3.850 ( 1.961 0.263 -8.592) 8.817 4.051 ( -5.872 6.960 -2.935) 9.567 4.313 ( -1.152 -2.421 6.401) 6.940 4.410 ( 7.652 -8.284 4.685) 12.212 4.907 ( -2.223 2.715 -6.664) 7.531 5.466 ( -0.046 2.848 -4.921) 5.686 5.509 ( 2.786 0.626 -4.503) 5.332 6.098 ( -0.800 -0.312 0.254) 0.895 6.115 ( -0.353 4.062 -5.759) 7.056 6.265 ( -1.232 0.055 8.002) 8.097 6.394 ( -1.260 -5.355 -4.924) 7.383 6.756 ( 6.474 5.188 -7.012) 10.863 7.550 ( 9.735 5.661 -11.183) 15.871 8.244 ( -0.268 -3.853 10.628) 11.308 8.262 ( -0.195 -1.576 14.437) 14.524 8.450 ( 0.561 -1.077 4.176) 4.349 8.838 ( -5.948 1.657 -1.821) 6.437 8.984 ( 1.924 -2.855 0.246) 3.452 9.261 ( 0.956 4.772 -5.083) 7.037 9.309 ( 0.979 4.696 11.327) 12.300 9.668 ( -0.176 3.160 7.460) 8.103 9.973 ( -0.871 -6.474 -5.678) 8.655 10.130 ( -4.682 -16.209 -12.764) 21.156 10.753 ( -0.052 2.406 -9.467) 9.768 11.135 ( -3.315 -0.074 -6.499) 7.296 11.173 ( 0.222 2.923 2.862) 4.097 11.242 ( 0.832 -0.537 2.799) 2.969 11.328 ( -4.552 15.457 14.182) 21.465 11.785 ( -14.413 4.718 4.065) 15.701 13.019 ( 0.147 0.617 -0.252) 0.683 13.070 ( -0.236 0.972 -0.952) 1.381 13.685 ( 0.066 -0.547 -0.017) 0.551 13.745 ( 0.453 -0.188 -0.715) 0.867 14.575 ( -0.249 -0.033 0.203) 0.323 14.679 ( 0.079 0.348 -0.660) 0.751 25.267 ( 0.010 -0.251 1.180) 1.207 25.475 ( -0.009 -0.292 -0.950) 0.994 26.187 ( 30.163 3.499 -2.393) 30.460 26.601 ( -2.888 -3.646 -2.851) 5.455 27.201 ( 3.640 0.415 -2.070) 4.208 27.363 ( 0.556 -4.618 -0.940) 4.746 28.479 ( -0.741 0.022 -1.036) 1.274 28.825 ( -1.247 3.193 -3.650) 5.008 ======================= Grid point 71 (24/84) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 14.519 -11.359 6.069) 19.408 1.110 ( 5.920 -11.642 22.869) 26.336 1.623 ( 8.556 -23.110 1.155) 24.670 1.952 ( -3.134 -1.565 -3.637) 5.050 2.243 ( 4.739 -3.653 -4.654) 7.581 2.375 ( 3.483 -1.317 6.887) 7.829 2.573 ( -7.178 -4.781 7.703) 11.563 2.887 ( -5.984 5.607 1.659) 8.367 3.108 ( 1.441 0.253 1.651) 2.206 3.257 ( -9.308 1.611 3.680) 10.138 3.555 ( 9.945 -1.878 1.925) 10.302 3.785 ( -9.998 10.688 -2.930) 14.926 3.885 ( 3.997 0.112 -5.739) 6.995 4.360 ( -2.421 -3.437 4.302) 6.015 4.672 ( 11.408 -10.578 5.386) 16.464 4.795 ( -4.596 5.811 -8.218) 11.064 5.410 ( 1.422 3.093 -4.966) 6.021 5.520 ( 3.641 1.220 -4.606) 5.997 6.056 ( -1.067 1.059 -1.194) 1.920 6.094 ( -0.021 0.585 0.721) 0.928 6.263 ( -4.078 -2.176 6.287) 7.804 6.451 ( -5.414 -1.780 0.169) 5.702 6.693 ( 8.821 5.638 -4.020) 11.214 7.456 ( 5.856 10.035 -8.063) 14.142 8.291 ( -1.825 -3.104 6.435) 7.374 8.351 ( 0.813 -4.995 8.899) 10.237 8.499 ( 0.869 -3.131 6.980) 7.699 8.735 ( -7.264 2.545 -1.456) 7.834 9.075 ( 3.736 -3.159 -0.027) 4.893 9.178 ( -1.740 1.954 1.438) 2.986 9.271 ( 3.973 2.035 6.681) 8.036 9.587 ( 0.712 5.370 7.158) 8.976 10.091 ( -2.389 -6.115 -5.884) 8.816 10.277 ( -7.106 -4.233 -9.883) 12.888 10.706 ( 2.643 2.729 -9.006) 9.775 11.036 ( -1.151 6.725 5.096) 8.516 11.106 ( -0.861 2.319 3.926) 4.640 11.192 ( -2.972 -1.641 -3.072) 4.578 11.251 ( -0.715 0.422 -0.406) 0.925 11.578 ( -9.213 6.619 1.462) 11.438 13.005 ( 0.241 1.012 -0.345) 1.096 13.042 ( -0.196 1.485 -0.719) 1.661 13.699 ( 0.097 -0.780 -0.108) 0.794 13.753 ( 0.115 -0.404 -0.662) 0.784 14.569 ( -0.272 0.307 0.317) 0.518 14.671 ( 0.091 0.525 -0.678) 0.862 25.275 ( 0.125 -0.438 1.192) 1.276 25.484 ( 0.074 -0.534 -0.940) 1.083 26.329 ( 21.139 2.160 -0.097) 21.249 26.649 ( -6.159 -4.386 -1.900) 7.796 27.198 ( 6.278 2.472 -0.682) 6.781 27.428 ( 0.118 -1.603 -1.554) 2.236 28.439 ( -1.185 3.290 -0.720) 3.571 28.750 ( -1.829 2.542 -3.140) 4.434 ======================= Grid point 72 (25/84) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 10.418 -10.260 3.577) 15.053 1.364 ( 7.381 -7.532 17.138) 20.122 1.791 ( -8.171 -0.199 -4.521) 9.341 2.071 ( -1.320 -2.310 -1.678) 3.146 2.369 ( 6.298 -9.583 -1.428) 11.556 2.491 ( 6.202 -3.960 5.643) 9.273 2.646 ( -3.282 -7.925 8.013) 11.738 2.731 ( -0.613 6.878 1.325) 7.032 3.080 ( -0.623 2.350 -2.605) 3.563 3.208 ( -6.571 -1.749 3.315) 7.565 3.424 ( -9.933 12.615 -0.674) 16.070 3.662 ( 3.948 0.087 -0.539) 3.986 3.976 ( 8.023 -3.724 -3.315) 9.446 4.384 ( -4.900 -1.021 -0.090) 5.006 4.636 ( -3.749 5.454 -8.333) 10.641 4.990 ( 12.118 -11.846 4.533) 17.542 5.373 ( 1.900 2.099 -4.901) 5.660 5.486 ( -0.818 4.458 -3.134) 5.511 6.034 ( -1.861 0.790 1.545) 2.544 6.087 ( 0.756 0.532 5.087) 5.170 6.269 ( -7.547 -2.909 1.776) 8.281 6.407 ( -0.169 1.295 2.938) 3.215 6.709 ( 5.453 -0.494 0.293) 5.483 7.277 ( 1.989 10.358 -4.563) 11.492 8.346 ( -0.737 -3.396 -0.367) 3.494 8.434 ( 1.531 -2.526 6.663) 7.289 8.520 ( -3.115 1.281 2.313) 4.086 8.687 ( -2.251 -2.001 6.378) 7.054 9.118 ( 2.000 -0.413 -0.635) 2.139 9.194 ( -0.927 -2.679 0.566) 2.891 9.286 ( 4.171 -0.205 6.372) 7.619 9.475 ( 0.580 6.318 7.488) 9.815 10.156 ( -3.193 -2.860 -6.289) 7.611 10.238 ( -5.624 1.045 -7.564) 9.484 10.698 ( 4.873 1.468 -8.341) 9.771 10.948 ( 0.679 2.573 3.926) 4.743 11.053 ( -0.730 2.088 4.002) 4.573 11.208 ( -3.261 1.495 -1.251) 3.799 11.234 ( -5.040 -4.542 -7.055) 9.788 11.415 ( -1.148 5.356 0.561) 5.507 12.986 ( 0.049 0.887 -0.319) 0.943 13.016 ( 0.004 0.942 -0.466) 1.051 13.714 ( 0.056 -0.544 -0.177) 0.575 13.762 ( 0.020 -0.355 -0.654) 0.744 14.562 ( -0.153 0.245 0.363) 0.464 14.662 ( 0.036 0.402 -0.667) 0.780 25.284 ( 0.156 -0.355 1.204) 1.265 25.495 ( 0.113 -0.444 -0.937) 1.043 26.436 ( 12.600 0.861 1.083) 12.676 26.663 ( -6.531 -2.416 -0.802) 7.010 27.221 ( 5.884 0.381 -0.741) 5.942 27.435 ( -0.889 0.312 -2.438) 2.614 28.352 ( -1.010 3.843 0.242) 3.981 28.711 ( -1.234 0.379 -2.774) 3.059 ======================= Grid point 73 (26/84) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 0.000 -0.000 -1.575) 1.575 1.430 ( -0.000 0.000 15.387) 15.387 1.748 ( 0.000 -0.000 1.283) 1.283 2.046 ( 0.000 -0.000 -0.192) 0.192 2.501 ( -0.000 -0.000 -3.749) 3.749 2.542 ( 0.000 -0.000 3.394) 3.394 2.660 ( 0.000 -0.000 3.618) 3.618 2.833 ( -0.000 -0.000 4.642) 4.642 3.068 ( -0.000 0.000 5.507) 5.507 3.072 ( 0.000 -0.000 -6.479) 6.479 3.275 ( 0.000 -0.000 2.645) 2.645 3.675 ( -0.000 -0.000 -2.146) 2.146 4.079 ( -0.000 0.000 -0.265) 0.265 4.340 ( -0.000 0.000 -6.504) 6.504 4.571 ( -0.000 -0.000 -5.660) 5.660 5.277 ( 0.000 -0.000 1.183) 1.183 5.314 ( -0.000 0.000 0.650) 0.650 5.369 ( 0.000 -0.000 -3.842) 3.842 6.013 ( 0.000 -0.000 1.348) 1.348 6.075 ( -0.000 -0.000 6.728) 6.728 6.274 ( -0.000 -0.000 0.038) 0.038 6.404 ( 0.000 0.000 4.490) 4.490 6.750 ( 0.000 -0.000 1.243) 1.243 7.161 ( -0.000 -0.000 -2.898) 2.898 8.393 ( 0.000 -0.000 -3.202) 3.202 8.454 ( -0.000 0.000 -2.498) 2.498 8.483 ( 0.000 0.000 8.719) 8.719 8.706 ( 0.000 -0.000 9.870) 9.870 9.148 ( 0.000 0.000 -2.459) 2.459 9.207 ( -0.000 -0.000 -0.006) 0.006 9.326 ( 0.000 0.000 8.739) 8.739 9.389 ( 0.000 -0.000 6.826) 6.826 10.167 ( -0.000 0.000 -6.487) 6.487 10.201 ( 0.000 -0.000 -7.394) 7.394 10.707 ( -0.000 -0.000 -7.863) 7.863 10.929 ( 0.000 -0.000 4.014) 4.014 11.027 ( 0.000 0.000 3.468) 3.468 11.168 ( -0.000 -0.000 -5.576) 5.576 11.274 ( -0.000 -0.000 -4.330) 4.330 11.353 ( -0.000 -0.000 0.601) 0.601 12.977 ( -0.000 -0.000 -0.265) 0.265 13.007 ( -0.000 -0.000 -0.368) 0.368 13.719 ( 0.000 -0.000 -0.200) 0.200 13.766 ( 0.000 -0.000 -0.660) 0.660 14.559 ( 0.000 0.000 0.371) 0.371 14.658 ( -0.000 -0.000 -0.660) 0.660 25.289 ( -0.000 -0.000 1.209) 1.209 25.500 ( 0.000 -0.000 -0.937) 0.937 26.481 ( 0.000 0.000 1.561) 1.561 26.657 ( -0.000 -0.000 -0.536) 0.536 27.249 ( 0.000 -0.000 -0.589) 0.589 27.422 ( -0.000 -0.000 -3.357) 3.357 28.306 ( 0.000 -0.000 0.872) 0.872 28.704 ( 0.000 -0.000 -2.712) 2.712 ======================= Grid point 79 (27/84) ======================= q-point: ( 0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 12.097 -0.000 15.167) 19.400 0.687 ( 19.852 -0.000 16.007) 25.501 1.058 ( 23.499 -0.000 30.131) 38.211 1.977 ( 9.070 -0.000 -5.284) 10.497 2.080 ( 4.415 -0.000 -7.853) 9.009 2.425 ( -1.935 0.000 4.197) 4.621 2.469 ( -10.486 0.000 11.244) 15.375 2.949 ( -10.534 0.000 4.588) 11.490 3.102 ( -5.345 0.000 -0.525) 5.370 3.311 ( -10.343 0.000 8.105) 13.140 3.500 ( 14.834 -0.000 4.333) 15.454 3.881 ( 4.671 -0.000 -8.276) 9.504 4.050 ( -11.868 0.000 -3.720) 12.437 4.282 ( -1.459 0.000 7.108) 7.256 4.412 ( 15.127 -0.000 5.289) 16.025 4.909 ( -3.999 0.000 -5.843) 7.080 5.504 ( 0.710 -0.000 -4.767) 4.820 5.540 ( 4.322 -0.000 -4.591) 6.305 6.081 ( -2.116 0.000 0.279) 2.134 6.170 ( -0.984 0.000 -4.671) 4.774 6.264 ( -0.985 0.000 7.994) 8.055 6.312 ( -1.640 0.000 -8.826) 8.977 6.862 ( 4.817 -0.000 -11.696) 12.649 7.744 ( 12.937 -0.000 -19.260) 23.202 8.204 ( -1.301 0.000 12.244) 12.313 8.255 ( 0.024 -0.000 14.060) 14.060 8.442 ( 0.500 -0.000 2.957) 2.999 8.832 ( -0.573 0.000 -3.259) 3.309 8.959 ( 0.979 -0.000 0.273) 1.016 9.347 ( 4.249 -0.000 -4.086) 5.895 9.444 ( 1.705 -0.000 -4.194) 4.527 9.621 ( -8.341 0.000 11.621) 14.305 9.836 ( -0.562 0.000 5.303) 5.332 9.896 ( -0.472 0.000 -6.231) 6.248 10.771 ( -0.975 0.000 -9.787) 9.836 11.096 ( -4.879 0.000 -7.031) 8.558 11.210 ( -1.638 0.000 2.777) 3.225 11.235 ( 1.449 -0.000 3.014) 3.344 11.539 ( -28.599 0.000 21.625) 35.854 11.548 ( -6.721 0.000 7.074) 9.758 13.028 ( 0.575 -0.000 -0.347) 0.671 13.078 ( 0.071 -0.000 -0.703) 0.707 13.679 ( 0.003 -0.000 0.013) 0.014 13.748 ( 0.017 -0.000 -1.069) 1.069 14.572 ( 0.052 -0.000 0.486) 0.489 14.684 ( 0.198 -0.000 -0.693) 0.720 25.264 ( -0.070 0.000 1.181) 1.183 25.471 ( -0.173 0.000 -0.932) 0.948 26.535 ( -4.217 0.000 -1.527) 4.485 26.701 ( 46.109 -0.000 -30.990) 55.556 27.186 ( 6.223 -0.000 0.990) 6.301 27.318 ( 1.060 -0.000 0.756) 1.302 28.467 ( -0.382 0.000 0.404) 0.556 28.846 ( -2.094 0.000 -4.214) 4.706 ======================= Grid point 80 (28/84) ======================= q-point: ( 0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 11.245 -12.630 8.281) 18.829 0.913 ( 9.419 -10.989 21.444) 25.871 1.410 ( 29.727 -11.985 12.481) 34.396 1.973 ( 5.473 4.005 -3.786) 7.767 2.207 ( 5.447 -4.462 -5.896) 9.184 2.369 ( -5.140 -0.375 10.737) 11.910 2.431 ( -6.521 -2.458 6.424) 9.478 2.861 ( -9.141 0.999 0.572) 9.213 3.072 ( -12.313 -4.619 1.974) 13.299 3.245 ( 0.046 3.015 4.725) 5.606 3.624 ( 12.985 -0.681 3.275) 13.409 3.861 ( -12.750 6.340 -4.501) 14.934 3.929 ( 3.875 0.728 -5.624) 6.869 4.289 ( -1.995 -2.042 5.782) 6.449 4.605 ( 14.860 -6.624 5.053) 17.036 4.839 ( -6.287 3.140 -6.247) 9.403 5.480 ( 1.530 2.608 -5.198) 6.013 5.576 ( 5.312 0.599 -4.018) 6.687 6.072 ( -2.643 -0.528 0.452) 2.733 6.106 ( -0.708 3.491 -4.961) 6.107 6.230 ( -2.993 1.161 6.198) 6.980 6.355 ( -3.875 -3.697 -2.500) 5.910 6.852 ( 4.706 3.765 -9.333) 11.110 7.701 ( 3.863 9.046 -13.619) 16.800 8.229 ( -1.731 -3.012 10.014) 10.599 8.254 ( -0.724 -2.143 14.268) 14.447 8.469 ( 1.935 -1.836 3.863) 4.695 8.789 ( 3.074 5.435 -4.036) 7.435 9.014 ( 1.743 -4.050 0.185) 4.413 9.251 ( -1.680 7.760 4.015) 8.898 9.352 ( 3.453 2.467 4.231) 5.993 9.666 ( 0.138 1.227 5.303) 5.445 9.936 ( -4.558 -6.788 -5.860) 10.059 10.035 ( -5.075 -13.078 -7.921) 16.110 10.752 ( 0.152 0.864 -9.770) 9.810 11.068 ( -5.104 -1.195 -7.666) 9.287 11.141 ( -4.286 4.119 5.888) 8.367 11.237 ( -2.154 4.167 6.391) 7.927 11.251 ( -3.416 3.208 6.377) 7.914 11.548 ( -11.124 -1.044 7.856) 13.659 13.027 ( 0.729 0.762 -0.433) 1.140 13.068 ( 0.092 1.091 -0.645) 1.271 13.685 ( -0.050 -0.586 -0.048) 0.590 13.747 ( -0.372 -0.193 -0.766) 0.873 14.572 ( -0.092 0.127 0.409) 0.438 14.682 ( 0.234 0.395 -0.726) 0.859 25.267 ( -0.029 -0.344 1.184) 1.234 25.474 ( -0.150 -0.410 -0.917) 1.016 26.514 ( -4.577 -0.999 -0.063) 4.686 26.747 ( 29.273 14.070 -11.056) 34.309 27.281 ( 5.128 0.927 -2.147) 5.636 27.382 ( 1.853 -4.165 -2.851) 5.376 28.463 ( -1.005 0.426 -0.288) 1.129 28.792 ( -2.640 3.204 -4.157) 5.875 ======================= Grid point 81 (29/84) ======================= q-point: ( 0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 9.563 -10.724 6.342) 15.706 1.233 ( 8.781 -12.997 16.778) 22.968 1.742 ( 5.188 -0.972 -3.357) 6.255 2.014 ( 5.402 -3.264 0.106) 6.312 2.276 ( 3.839 -4.098 2.130) 6.006 2.388 ( -6.519 -7.256 12.551) 15.895 2.505 ( 3.798 -4.662 2.144) 6.384 2.766 ( -7.588 1.572 -3.380) 8.454 3.074 ( -10.842 -4.092 5.186) 12.696 3.204 ( 7.347 3.765 0.296) 8.261 3.550 ( -14.337 9.410 -3.510) 17.505 3.734 ( 8.213 1.947 1.530) 8.578 3.990 ( 8.808 -1.630 -3.923) 9.779 4.318 ( -2.973 -2.267 2.520) 4.508 4.695 ( -7.694 5.151 -7.070) 11.650 4.881 ( 13.536 -9.730 4.790) 17.345 5.444 ( 2.637 2.751 -5.304) 6.531 5.576 ( 2.774 3.738 -4.084) 6.192 6.022 ( -3.362 0.923 -0.927) 3.608 6.097 ( -0.307 -0.642 1.499) 1.659 6.175 ( -5.717 0.605 4.758) 7.462 6.368 ( -4.758 -2.211 2.401) 5.770 6.821 ( 7.112 3.885 -5.269) 9.666 7.505 ( -1.267 11.565 -7.804) 14.009 8.266 ( -1.162 -3.359 4.069) 5.403 8.353 ( -0.539 -6.242 11.224) 12.854 8.532 ( 3.850 -1.405 4.193) 5.863 8.695 ( 2.626 5.411 -1.596) 6.223 9.108 ( 0.518 -3.186 1.207) 3.446 9.143 ( -2.479 1.372 3.084) 4.188 9.342 ( 4.406 1.506 4.273) 6.320 9.602 ( 1.111 5.411 6.128) 8.250 10.017 ( -7.683 -6.184 -6.143) 11.619 10.157 ( -6.214 -4.694 -7.787) 11.013 10.758 ( 3.442 0.477 -9.524) 10.138 11.017 ( -1.347 3.463 2.057) 4.247 11.079 ( -3.410 -1.052 -1.967) 4.075 11.131 ( -4.289 2.177 0.588) 4.846 11.203 ( -4.203 0.898 1.211) 4.466 11.475 ( -2.515 2.096 5.496) 6.397 13.010 ( 0.274 1.318 -0.370) 1.396 13.044 ( 0.485 1.478 -0.503) 1.635 13.699 ( -0.182 -0.814 -0.120) 0.843 13.752 ( -0.309 -0.544 -0.655) 0.906 14.567 ( -0.065 0.306 0.391) 0.501 14.673 ( 0.132 0.611 -0.712) 0.948 25.276 ( 0.054 -0.522 1.190) 1.301 25.484 ( -0.043 -0.655 -0.914) 1.125 26.491 ( -4.920 -0.377 1.385) 5.126 26.745 ( 20.697 6.894 -4.105) 22.198 27.285 ( 3.818 1.778 -0.709) 4.271 27.431 ( 0.244 -0.417 -3.381) 3.416 28.420 ( -1.114 3.366 -0.326) 3.561 28.713 ( -2.560 1.842 -3.228) 4.513 ======================= Grid point 82 (30/84) ======================= q-point: ( 0.50 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 6.873 -7.967 3.529) 11.098 1.476 ( 5.964 -1.739 12.225) 13.713 1.712 ( -1.276 -0.737 -0.653) 1.611 2.021 ( -4.413 -1.153 0.945) 4.658 2.339 ( -10.194 -6.218 1.291) 12.010 2.534 ( -2.616 -0.515 4.411) 5.154 2.668 ( 0.655 -2.447 -2.690) 3.695 2.761 ( 11.488 -9.044 4.644) 15.340 3.042 ( -6.594 -0.116 5.976) 8.900 3.176 ( 3.570 5.621 -4.346) 7.952 3.314 ( -2.450 3.951 0.178) 4.653 3.728 ( 4.484 3.536 -0.491) 5.732 4.097 ( 5.647 -0.458 -1.248) 5.801 4.311 ( -3.152 -1.225 -4.310) 5.479 4.572 ( -4.075 1.613 -5.194) 6.796 5.175 ( 10.296 -9.951 2.864) 14.602 5.402 ( 1.194 3.858 -4.562) 6.093 5.444 ( -3.941 8.716 -1.712) 9.717 5.997 ( -2.659 -0.426 0.635) 2.767 6.079 ( -3.228 -0.299 3.673) 4.898 6.159 ( -4.078 -2.785 5.971) 7.748 6.414 ( 1.332 -3.434 1.610) 4.020 6.812 ( 6.906 2.799 -0.807) 7.495 7.256 ( -4.673 10.533 -3.904) 12.166 8.344 ( 0.529 -4.463 -0.800) 4.565 8.450 ( 0.018 -3.406 9.047) 9.667 8.520 ( 3.777 4.954 -3.396) 7.095 8.685 ( 1.496 -2.057 8.243) 8.626 9.110 ( -2.563 -1.024 1.605) 3.193 9.164 ( -2.650 -2.296 0.576) 3.553 9.358 ( 4.162 0.719 4.719) 6.333 9.483 ( 0.399 7.113 6.907) 9.923 10.068 ( -6.698 -5.705 -6.703) 11.061 10.180 ( -2.123 -2.079 -6.893) 7.506 10.744 ( 0.015 2.965 -8.130) 8.654 10.962 ( 1.149 2.533 3.987) 4.862 11.036 ( -1.393 1.716 3.912) 4.494 11.127 ( -3.146 -4.025 -10.472) 11.652 11.197 ( -1.464 -2.727 0.110) 3.097 11.424 ( 1.516 3.197 2.728) 4.467 12.986 ( -0.042 0.969 -0.240) 0.999 13.022 ( 0.619 1.156 -0.414) 1.376 13.711 ( -0.311 -0.620 -0.156) 0.711 13.761 ( -0.143 -0.462 -0.654) 0.814 14.561 ( 0.041 0.210 0.372) 0.429 14.663 ( 0.037 0.450 -0.681) 0.817 25.285 ( -0.009 -0.324 1.200) 1.244 25.495 ( -0.038 -0.456 -0.922) 1.029 26.446 ( -6.545 0.440 2.095) 6.886 26.781 ( 16.007 4.623 -2.076) 16.790 27.266 ( -0.652 1.971 -0.615) 2.166 27.425 ( -0.094 0.359 -3.559) 3.578 28.336 ( -0.937 3.315 0.463) 3.476 28.691 ( -1.096 -0.681 -2.715) 3.005 ======================= Grid point 83 (31/84) ======================= q-point: (-0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -7.883 9.110 -0.366) 12.053 1.458 ( 1.966 4.862 17.095) 17.882 1.799 ( 4.349 -5.262 -2.339) 7.217 2.089 ( 5.117 -3.201 0.056) 6.036 2.411 ( -8.687 -7.061 -0.055) 11.195 2.482 ( -6.634 -0.835 1.165) 6.787 2.591 ( -5.989 5.938 2.173) 8.709 2.809 ( -0.721 6.271 6.284) 8.907 3.131 ( 7.496 2.019 -5.661) 9.608 3.225 ( 11.360 -12.201 3.239) 16.982 3.291 ( 1.197 0.114 1.299) 1.770 3.680 ( 0.665 3.472 0.469) 3.566 4.011 ( -6.130 5.767 -3.400) 9.077 4.409 ( 6.686 -4.185 -4.493) 9.078 4.557 ( -1.849 -2.529 -5.048) 5.940 5.149 ( -8.675 12.808 3.031) 15.763 5.357 ( 0.531 1.123 -4.718) 4.879 5.410 ( 3.526 -5.256 -1.271) 6.455 6.006 ( -0.584 -2.021 1.257) 2.451 6.088 ( 1.371 -0.257 6.980) 7.118 6.209 ( -5.401 -7.158 1.568) 9.103 6.452 ( 3.602 2.636 3.331) 5.570 6.795 ( 5.342 6.152 0.951) 8.203 7.104 ( -6.410 -2.585 -2.222) 7.260 8.394 ( 0.682 1.141 -3.404) 3.654 8.470 ( -0.230 1.342 7.319) 7.445 8.508 ( 3.625 -2.216 0.483) 4.276 8.732 ( 3.380 -0.350 8.008) 8.699 9.084 ( -6.580 -0.110 -2.576) 7.068 9.211 ( 0.005 -2.691 0.930) 2.847 9.327 ( 0.075 5.753 8.506) 10.269 9.395 ( 0.473 -0.503 6.332) 6.369 10.141 ( -1.913 -4.658 -6.751) 8.422 10.228 ( 1.999 -3.129 -6.911) 7.846 10.667 ( -3.595 2.381 -7.671) 8.800 10.929 ( 0.000 0.993 4.057) 4.176 11.026 ( -0.056 -0.965 3.498) 3.629 11.194 ( 1.980 -2.130 -2.123) 3.600 11.283 ( 0.944 -6.644 -7.406) 9.994 11.366 ( 1.567 3.997 -0.163) 4.297 12.977 ( -0.025 -0.035 -0.242) 0.245 13.011 ( 0.397 0.274 -0.449) 0.659 13.716 ( -0.295 -0.117 -0.160) 0.356 13.765 ( -0.067 -0.025 -0.658) 0.662 14.560 ( 0.128 -0.048 0.347) 0.373 14.658 ( 0.000 0.020 -0.660) 0.660 25.287 ( -0.143 0.074 1.208) 1.219 25.499 ( -0.096 0.051 -0.936) 0.942 26.367 ( -7.825 1.906 2.277) 8.370 26.811 ( 13.063 4.174 -1.572) 13.803 27.189 ( -6.942 2.357 -0.912) 7.387 27.433 ( 0.914 -0.595 -2.530) 2.755 28.306 ( 0.027 -0.907 0.804) 1.212 28.705 ( 0.105 -0.889 -2.705) 2.849 ======================= Grid point 84 (32/84) ======================= q-point: (-0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -8.519 12.619 3.219) 15.563 1.289 ( -2.055 10.497 21.602) 24.106 1.934 ( 8.603 -0.091 -6.771) 10.949 2.048 ( -3.783 11.056 -3.671) 12.249 2.297 ( -2.790 5.993 -3.883) 7.666 2.400 ( -2.895 4.817 8.017) 9.791 2.670 ( -1.862 -11.547 5.845) 13.075 2.715 ( 0.033 2.068 6.407) 6.732 3.173 ( 8.977 1.175 -2.513) 9.396 3.268 ( -0.910 0.160 0.750) 1.190 3.530 ( 0.954 -4.151 -0.014) 4.260 3.632 ( 1.597 -5.347 3.020) 6.345 3.881 ( -3.247 2.761 -6.807) 8.032 4.448 ( 2.656 3.030 3.184) 5.135 4.680 ( 1.587 -8.246 -9.875) 12.963 4.833 ( -6.282 12.784 4.644) 14.982 5.352 ( -0.633 -1.370 -4.267) 4.526 5.481 ( -0.750 -1.211 -4.804) 5.011 6.053 ( 0.654 -2.184 1.646) 2.812 6.076 ( -0.482 1.104 4.295) 4.461 6.351 ( 2.243 -2.501 -0.253) 3.369 6.407 ( -0.092 -2.655 4.969) 5.634 6.661 ( -0.714 7.478 1.239) 7.614 7.227 ( -2.761 -10.368 -3.806) 11.384 8.366 ( 1.569 2.061 -0.186) 2.597 8.408 ( -1.733 3.626 7.101) 8.159 8.565 ( 1.481 1.216 7.731) 7.965 8.766 ( 6.177 -0.409 0.655) 6.225 9.042 ( -5.787 -1.006 -3.085) 6.635 9.208 ( 1.015 2.485 0.647) 2.761 9.241 ( -1.731 1.776 8.559) 8.911 9.467 ( -0.305 -5.899 8.017) 9.958 10.181 ( 0.528 0.926 -6.389) 6.478 10.320 ( 3.318 -3.047 -7.520) 8.766 10.629 ( -2.853 -1.674 -7.905) 8.569 10.941 ( -0.228 -2.750 3.948) 4.817 11.060 ( 0.234 -2.254 4.111) 4.694 11.231 ( 0.697 -0.794 1.452) 1.796 11.291 ( 1.173 4.331 -5.024) 6.736 11.463 ( 3.129 -9.259 -5.237) 11.088 12.986 ( -0.022 -0.802 -0.318) 0.863 13.019 ( 0.205 -0.862 -0.663) 1.107 13.711 ( -0.164 0.463 -0.130) 0.508 13.761 ( -0.067 0.370 -0.642) 0.744 14.565 ( 0.139 -0.304 0.306) 0.453 14.662 ( -0.015 -0.367 -0.656) 0.752 25.282 ( -0.132 0.353 1.203) 1.261 25.493 ( -0.086 0.448 -0.946) 1.051 26.251 ( -7.288 3.710 2.365) 8.513 26.807 ( 8.083 5.629 -2.817) 10.245 27.108 ( -6.700 -0.957 0.397) 6.779 27.446 ( 0.407 0.118 -1.345) 1.410 28.365 ( 0.464 -4.314 -0.035) 4.339 28.726 ( 0.541 -1.099 -2.795) 3.051 ======================= Grid point 85 (33/84) ======================= q-point: (-0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 0.000 13.283 8.190) 15.605 1.064 ( 0.000 11.361 25.776) 28.169 1.553 ( 0.000 29.037 2.852) 29.176 2.036 ( -0.000 -1.176 -7.934) 8.020 2.138 ( 0.000 8.940 -5.174) 10.329 2.365 ( -0.000 -1.237 7.058) 7.166 2.631 ( 0.000 3.909 6.724) 7.778 2.913 ( -0.000 -10.328 4.678) 11.338 3.161 ( 0.000 3.680 3.859) 5.332 3.303 ( -0.000 -3.484 -1.028) 3.633 3.461 ( 0.000 3.511 4.881) 6.012 3.843 ( 0.000 0.418 -8.305) 8.316 3.883 ( -0.000 -12.204 -1.515) 12.298 4.385 ( 0.000 3.936 5.703) 6.929 4.570 ( 0.000 11.058 4.606) 11.979 4.833 ( -0.000 -5.956 -8.607) 10.467 5.401 ( -0.000 -3.534 -4.210) 5.496 5.485 ( -0.000 -0.377 -5.549) 5.562 6.063 ( -0.000 -0.995 -1.747) 2.010 6.096 ( -0.000 -1.148 0.874) 1.442 6.295 ( 0.000 2.993 6.945) 7.562 6.517 ( 0.000 6.385 -0.888) 6.446 6.589 ( -0.000 -9.214 -2.681) 9.597 7.396 ( -0.000 -7.723 -6.861) 10.330 8.314 ( 0.000 3.732 10.943) 11.562 8.336 ( 0.000 3.642 4.213) 5.569 8.492 ( 0.000 4.189 8.205) 9.212 8.833 ( -0.000 -2.225 -2.203) 3.131 9.019 ( 0.000 1.435 -0.468) 1.510 9.191 ( -0.000 -1.403 -5.035) 5.227 9.238 ( -0.000 -2.037 13.451) 13.605 9.581 ( -0.000 -5.424 7.663) 9.388 10.108 ( 0.000 6.135 -5.886) 8.502 10.338 ( 0.000 3.837 -10.899) 11.555 10.684 ( -0.000 -4.156 -8.645) 9.592 11.047 ( -0.000 -8.326 5.821) 10.159 11.112 ( -0.000 -2.893 4.710) 5.527 11.224 ( 0.000 2.157 -5.483) 5.892 11.244 ( -0.000 -0.108 2.365) 2.368 11.671 ( -0.000 -9.917 -1.348) 10.009 13.003 ( -0.000 -0.932 -0.305) 0.981 13.045 ( -0.000 -1.510 -0.936) 1.777 13.698 ( 0.000 0.747 -0.066) 0.750 13.751 ( 0.000 0.490 -0.617) 0.788 14.572 ( -0.000 -0.358 0.216) 0.418 14.671 ( -0.000 -0.493 -0.660) 0.823 25.273 ( 0.000 0.385 1.190) 1.250 25.483 ( 0.000 0.488 -0.951) 1.069 26.130 ( 0.000 4.557 2.532) 5.213 26.715 ( 0.000 6.257 -3.490) 7.164 27.135 ( -0.000 -3.561 0.439) 3.588 27.427 ( 0.000 2.053 -0.898) 2.241 28.450 ( -0.000 -3.408 -1.053) 3.567 28.765 ( -0.000 -2.836 -3.085) 4.190 ======================= Grid point 88 (34/84) ======================= q-point: ( 0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 17.668 -0.000 12.909) 21.882 0.903 ( 11.195 -0.000 22.606) 25.226 1.567 ( 34.397 -0.000 11.389) 36.234 2.146 ( 5.418 -0.000 -2.149) 5.829 2.153 ( 3.776 -0.000 -6.690) 7.682 2.280 ( -5.981 0.000 12.392) 13.760 2.393 ( -1.721 0.000 4.925) 5.217 2.834 ( -4.124 0.000 2.011) 4.588 2.838 ( -22.306 0.000 3.632) 22.600 3.296 ( 3.758 -0.000 0.989) 3.886 3.706 ( 3.050 -0.000 0.096) 3.051 3.806 ( -10.588 0.000 0.890) 10.625 3.996 ( 10.003 -0.000 -7.263) 12.362 4.248 ( -3.004 0.000 7.007) 7.624 4.657 ( 14.368 -0.000 3.792) 14.860 4.816 ( -7.560 0.000 -5.170) 9.159 5.516 ( 0.729 -0.000 -4.487) 4.546 5.629 ( 6.566 -0.000 -4.699) 8.074 6.036 ( -3.404 0.000 1.074) 3.569 6.152 ( -1.184 0.000 -3.695) 3.880 6.244 ( -1.361 0.000 7.290) 7.416 6.257 ( -5.913 0.000 -7.456) 9.516 6.911 ( 2.642 -0.000 -11.307) 11.611 7.775 ( -6.868 0.000 -12.618) 14.366 8.177 ( -1.404 0.000 12.896) 12.972 8.238 ( -1.456 0.000 15.111) 15.181 8.461 ( 2.001 -0.000 1.946) 2.791 8.920 ( 8.976 -0.000 -6.102) 10.853 8.976 ( 1.071 -0.000 0.586) 1.220 9.400 ( 1.912 -0.000 5.003) 5.356 9.480 ( 2.735 -0.000 -4.203) 5.014 9.522 ( -3.339 0.000 -0.739) 3.419 9.832 ( -0.018 0.000 4.206) 4.206 9.883 ( -1.256 0.000 -6.088) 6.216 10.750 ( -1.440 0.000 -9.934) 10.038 11.006 ( -6.638 0.000 -8.469) 10.761 11.144 ( -6.216 0.000 5.811) 8.509 11.212 ( -4.756 0.000 3.116) 5.686 11.305 ( -4.508 0.000 12.866) 13.633 11.452 ( -3.487 0.000 8.689) 9.363 13.042 ( 1.055 -0.000 -0.549) 1.189 13.081 ( 0.202 -0.000 -0.596) 0.629 13.679 ( -0.087 0.000 -0.026) 0.091 13.739 ( -0.913 0.000 -0.719) 1.162 14.574 ( 0.090 -0.000 0.441) 0.450 14.688 ( 0.318 -0.000 -0.778) 0.840 25.263 ( -0.129 0.000 1.181) 1.188 25.468 ( -0.260 0.000 -0.904) 0.940 26.463 ( -4.385 0.000 1.116) 4.525 27.162 ( 16.375 -0.000 -20.629) 26.338 27.298 ( 7.113 -0.000 -1.291) 7.229 27.339 ( 1.484 -0.000 0.225) 1.501 28.459 ( -0.483 0.000 0.145) 0.504 28.810 ( -2.342 0.000 -5.343) 5.834 ======================= Grid point 89 (35/84) ======================= q-point: ( 0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 11.604 -8.176 8.865) 16.735 1.081 ( 11.861 -8.933 19.874) 24.809 1.840 ( 17.668 -1.113 3.423) 18.031 2.062 ( -0.839 5.093 0.767) 5.218 2.213 ( 6.093 -6.306 11.174) 14.204 2.263 ( -3.532 1.672 1.047) 4.046 2.458 ( 4.180 -3.880 2.871) 6.385 2.696 ( -12.087 -1.677 -1.592) 12.307 2.882 ( -6.060 -6.349 4.327) 9.785 3.308 ( 4.354 1.837 -0.872) 4.805 3.546 ( -20.677 4.160 -4.826) 21.637 3.844 ( 11.003 0.863 4.925) 12.085 4.059 ( 9.833 1.413 -4.942) 11.096 4.253 ( -1.966 -2.478 4.417) 5.433 4.707 ( -9.815 2.967 -5.671) 11.718 4.830 ( 12.040 -5.640 3.987) 13.881 5.506 ( 1.532 1.525 -4.778) 5.244 5.665 ( 5.785 2.007 -4.576) 7.644 6.012 ( -4.856 0.538 0.703) 4.936 6.096 ( -0.467 2.192 -3.345) 4.026 6.174 ( -3.944 1.738 1.842) 4.687 6.277 ( -5.260 -2.589 2.893) 6.538 6.919 ( 4.132 1.557 -9.805) 10.754 7.648 ( -7.816 6.062 -9.093) 13.436 8.207 ( -0.651 -2.612 9.710) 10.076 8.240 ( -1.043 -2.880 13.947) 14.280 8.511 ( 3.241 -2.843 3.352) 5.461 8.912 ( 9.370 6.899 -4.899) 12.625 9.039 ( 1.480 -3.557 0.090) 3.854 9.232 ( -0.108 10.742 1.725) 10.880 9.398 ( 2.304 1.341 4.152) 4.934 9.670 ( -0.090 -1.324 1.368) 1.906 9.831 ( -7.573 -3.768 -3.282) 9.073 9.991 ( -1.227 -8.041 -6.333) 10.309 10.760 ( 0.896 -1.787 -10.325) 10.516 10.964 ( -8.077 -1.617 -9.960) 12.925 11.072 ( -3.651 2.235 5.184) 6.723 11.172 ( -5.314 0.069 3.371) 6.294 11.217 ( -0.693 5.326 8.307) 9.892 11.463 ( -1.118 -1.394 8.510) 8.696 13.038 ( 0.645 1.147 -0.480) 1.401 13.073 ( 0.516 0.928 -0.550) 1.196 13.683 ( -0.183 -0.534 -0.065) 0.568 13.737 ( -0.756 -0.489 -0.616) 1.091 14.572 ( 0.061 0.222 0.407) 0.468 14.686 ( 0.235 0.483 -0.780) 0.947 25.266 ( -0.077 -0.441 1.176) 1.258 25.471 ( -0.202 -0.510 -0.893) 1.048 26.438 ( -4.130 -0.599 2.171) 4.704 27.100 ( 16.076 11.075 -8.797) 21.412 27.337 ( 1.857 1.116 -0.395) 2.202 27.416 ( 1.993 -2.289 -5.037) 5.881 28.452 ( -0.422 0.690 -0.205) 0.835 28.750 ( -2.505 3.588 -4.844) 6.528 ======================= Grid point 90 (36/84) ======================= q-point: ( 0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 5.637 -10.336 3.420) 12.260 1.394 ( 12.131 -11.994 16.102) 23.458 1.821 ( 2.503 7.436 -0.058) 7.846 1.939 ( -9.419 2.635 5.134) 11.046 2.208 ( -6.194 -0.579 -0.518) 6.243 2.476 ( -0.547 -3.703 6.893) 7.844 2.584 ( 11.624 -10.146 3.800) 15.890 2.696 ( 0.537 -3.776 -2.191) 4.399 2.948 ( -5.230 -3.751 5.021) 8.163 3.287 ( -1.212 3.683 -4.077) 5.626 3.341 ( -6.319 2.008 -2.388) 7.048 3.864 ( 7.395 4.721 3.208) 9.342 4.136 ( 8.361 -2.099 -3.440) 9.282 4.272 ( -2.110 0.489 -0.177) 2.173 4.562 ( -8.667 2.367 -4.703) 10.141 5.065 ( 8.827 -9.133 3.395) 13.147 5.483 ( 2.049 2.599 -5.067) 6.052 5.598 ( 0.037 8.182 -3.963) 9.092 5.948 ( -5.414 -0.358 0.205) 5.429 6.044 ( -3.880 2.291 0.652) 4.553 6.158 ( 1.874 0.329 5.771) 6.077 6.305 ( -3.163 -5.739 2.585) 7.044 6.917 ( 4.829 2.443 -5.854) 7.973 7.432 ( -6.083 10.348 -5.525) 13.214 8.259 ( 0.061 -3.924 3.631) 5.346 8.341 ( -0.734 -6.564 11.369) 13.148 8.606 ( 4.441 -3.254 4.939) 7.397 8.794 ( 8.647 12.267 -5.767) 16.078 9.093 ( -3.871 2.083 2.661) 5.139 9.100 ( -1.347 -2.381 1.548) 3.143 9.398 ( 2.486 0.651 4.373) 5.072 9.621 ( 1.294 5.768 5.502) 8.076 9.872 ( -8.667 -7.519 -5.945) 12.922 10.095 ( -2.225 -4.377 -6.645) 8.262 10.791 ( 0.037 1.412 -8.736) 8.850 10.971 ( -3.685 -5.215 -11.481) 13.137 11.022 ( -1.452 0.408 2.499) 2.919 11.097 ( -0.734 5.367 6.683) 8.602 11.155 ( -2.009 -0.884 1.714) 2.785 11.471 ( 0.747 0.619 6.445) 6.518 13.012 ( 0.064 1.600 -0.246) 1.620 13.055 ( 0.748 1.447 -0.532) 1.713 13.694 ( -0.297 -0.754 -0.090) 0.816 13.746 ( -0.364 -0.806 -0.617) 1.078 14.567 ( 0.064 0.315 0.374) 0.493 14.675 ( 0.092 0.698 -0.739) 1.021 25.276 ( -0.023 -0.560 1.180) 1.306 25.482 ( -0.128 -0.736 -0.889) 1.161 26.412 ( -3.865 0.228 2.755) 4.752 27.041 ( 15.474 8.015 -4.939) 18.113 27.306 ( -1.255 2.674 -0.845) 3.073 27.433 ( -0.140 0.369 -3.988) 4.007 28.406 ( -0.555 3.844 -0.357) 3.900 28.677 ( -1.783 1.047 -3.232) 3.837 ======================= Grid point 91 (37/84) ======================= q-point: ( 0.62 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 0.852 -2.050 -1.315) 2.581 1.587 ( 7.664 4.344 14.489) 16.957 1.717 ( -0.344 0.470 0.736) 0.939 1.946 ( -3.972 -14.438 5.976) 16.123 2.186 ( -6.219 -2.003 -0.243) 6.538 2.465 ( -3.582 0.531 0.574) 3.666 2.653 ( -1.189 2.126 -2.521) 3.505 2.881 ( 0.219 1.440 4.672) 4.894 3.034 ( 5.168 -13.157 7.054) 15.798 3.214 ( 1.225 1.826 -5.998) 6.389 3.322 ( 1.187 0.953 -1.401) 2.069 3.797 ( 3.344 6.038 3.603) 7.786 4.111 ( -2.071 8.084 -4.564) 9.512 4.320 ( 2.552 -7.550 -6.562) 10.324 4.517 ( -2.373 -0.846 -0.730) 2.623 5.286 ( 2.884 -5.471 1.408) 6.342 5.369 ( -2.107 10.120 -0.427) 10.345 5.430 ( 0.479 4.197 -5.056) 6.588 5.957 ( -1.875 -2.587 0.058) 3.196 6.017 ( -2.380 -3.587 2.112) 4.795 6.140 ( -0.080 1.579 9.116) 9.252 6.439 ( 1.186 -6.230 0.961) 6.415 6.913 ( 5.028 0.969 -1.715) 5.400 7.160 ( -5.614 12.419 -2.372) 13.833 8.357 ( 0.637 -5.149 -0.156) 5.190 8.445 ( -0.260 -3.782 9.137) 9.893 8.597 ( 3.888 8.928 -5.389) 11.130 8.720 ( 2.165 -2.989 7.463) 8.326 9.045 ( -4.157 0.709 -0.050) 4.217 9.135 ( -0.890 -3.179 3.198) 4.596 9.404 ( 1.505 0.654 4.232) 4.539 9.487 ( 0.104 8.159 6.714) 10.567 9.986 ( -2.958 -8.343 -6.656) 11.075 10.158 ( -0.689 -3.938 -6.529) 7.655 10.717 ( -1.829 4.096 -7.644) 8.863 10.982 ( 1.111 3.548 4.846) 6.108 11.015 ( -1.119 0.496 3.540) 3.746 11.118 ( 0.715 -8.046 -12.250) 14.673 11.177 ( -0.857 -2.238 0.415) 2.432 11.447 ( 0.978 2.618 3.196) 4.245 12.986 ( -0.029 0.986 -0.145) 0.997 13.031 ( 0.401 1.324 -0.484) 1.466 13.706 ( -0.229 -0.626 -0.100) 0.674 13.758 ( -0.094 -0.579 -0.650) 0.876 14.562 ( 0.062 0.186 0.345) 0.396 14.663 ( 0.015 0.484 -0.691) 0.844 25.285 ( -0.045 -0.268 1.196) 1.226 25.494 ( -0.067 -0.472 -0.906) 1.024 26.366 ( -2.846 1.788 2.890) 4.433 27.018 ( 12.699 6.069 -3.446) 14.490 27.201 ( -7.048 4.454 -1.269) 8.433 27.429 ( 0.288 -0.197 -2.804) 2.826 28.325 ( -0.392 2.980 0.508) 3.048 28.679 ( -0.401 -1.439 -2.653) 3.045 ======================= Grid point 92 (38/84) ======================= q-point: (-0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 0.000 12.041 0.175) 12.043 1.478 ( 0.000 9.049 18.526) 20.617 1.840 ( -0.000 -9.234 -4.906) 10.456 2.158 ( 0.000 1.217 -1.896) 2.253 2.317 ( -0.000 -19.311 7.046) 20.556 2.407 ( 0.000 4.274 -4.259) 6.034 2.539 ( 0.000 8.581 3.803) 9.386 2.807 ( 0.000 4.496 5.614) 7.193 3.210 ( -0.000 -0.286 -5.224) 5.232 3.296 ( 0.000 2.281 -0.925) 2.461 3.328 ( -0.000 -13.455 2.869) 13.757 3.689 ( 0.000 6.028 4.507) 7.526 3.951 ( 0.000 6.105 -6.528) 8.938 4.506 ( 0.000 1.278 1.956) 2.336 4.506 ( -0.000 -9.451 -9.687) 13.534 5.070 ( 0.000 13.830 3.270) 14.211 5.361 ( 0.000 2.449 -4.559) 5.175 5.437 ( -0.000 -3.858 -2.744) 4.735 6.001 ( -0.000 -2.745 1.141) 2.973 6.107 ( 0.000 1.579 8.364) 8.512 6.155 ( -0.000 -10.278 1.064) 10.333 6.483 ( 0.000 2.531 3.119) 4.017 6.869 ( 0.000 12.739 0.441) 12.747 7.020 ( -0.000 -8.326 -1.350) 8.435 8.404 ( 0.000 1.432 -3.386) 3.677 8.465 ( 0.000 1.638 7.959) 8.126 8.542 ( -0.000 -2.323 1.954) 3.036 8.781 ( -0.000 -1.435 5.475) 5.660 9.007 ( 0.000 0.486 -2.551) 2.597 9.210 ( -0.000 -3.481 1.391) 3.749 9.327 ( 0.000 7.272 8.282) 11.022 9.399 ( -0.000 -0.327 6.095) 6.104 10.124 ( -0.000 -6.117 -6.700) 9.073 10.246 ( -0.000 -4.967 -6.738) 8.371 10.633 ( 0.000 3.051 -7.512) 8.108 10.929 ( 0.000 1.399 4.076) 4.310 11.026 ( -0.000 -1.339 3.529) 3.775 11.209 ( -0.000 -1.616 0.829) 1.816 11.292 ( -0.000 -8.793 -8.918) 12.524 11.384 ( 0.000 4.055 -1.943) 4.497 12.976 ( -0.000 -0.050 -0.224) 0.230 13.015 ( 0.000 0.369 -0.527) 0.643 13.713 ( -0.000 -0.152 -0.118) 0.193 13.764 ( -0.000 -0.034 -0.657) 0.658 14.561 ( -0.000 -0.076 0.323) 0.331 14.658 ( 0.000 0.029 -0.661) 0.661 25.286 ( 0.000 0.114 1.208) 1.214 25.498 ( 0.000 0.065 -0.934) 0.936 26.301 ( 0.000 3.471 2.802) 4.460 26.970 ( 0.000 6.180 -4.241) 7.496 27.080 ( 0.000 2.166 0.864) 2.332 27.441 ( -0.000 -0.660 -1.979) 2.086 28.307 ( -0.000 -1.294 0.736) 1.489 28.706 ( -0.000 -1.250 -2.698) 2.974 ======================= Grid point 97 (39/84) ======================= q-point: ( 0.38 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 16.130 -0.000 13.572) 21.080 1.080 ( 10.854 -0.000 18.581) 21.519 1.870 ( -7.443 0.000 10.434) 12.817 2.157 ( 17.861 -0.000 13.440) 22.352 2.169 ( -2.609 0.000 -4.465) 5.171 2.376 ( -0.361 0.000 2.702) 2.726 2.455 ( 15.947 -0.000 -4.421) 16.549 2.520 ( -15.132 0.000 4.642) 15.828 2.805 ( 0.411 -0.000 1.804) 1.850 3.350 ( 2.510 -0.000 -2.429) 3.493 3.397 ( -24.781 0.000 -4.991) 25.279 3.936 ( 10.600 -0.000 5.978) 12.169 4.184 ( -5.214 0.000 6.665) 8.462 4.190 ( 13.944 -0.000 -6.373) 15.332 4.653 ( -11.520 0.000 -5.336) 12.696 4.857 ( 8.890 -0.000 3.304) 9.484 5.525 ( 0.382 -0.000 -4.118) 4.136 5.743 ( 7.885 -0.000 -5.658) 9.705 5.982 ( -2.997 0.000 2.383) 3.829 6.125 ( -10.000 0.000 -4.570) 10.995 6.136 ( -0.719 0.000 -3.501) 3.574 6.225 ( -0.933 0.000 6.798) 6.861 6.960 ( 3.224 -0.000 -11.839) 12.270 7.635 ( -8.315 0.000 -8.363) 11.793 8.168 ( 0.078 -0.000 13.354) 13.354 8.218 ( -1.112 0.000 14.878) 14.919 8.501 ( 2.621 -0.000 1.170) 2.870 8.989 ( 0.494 -0.000 0.860) 0.992 9.036 ( 4.746 -0.000 1.300) 4.921 9.418 ( 1.104 -0.000 7.728) 7.806 9.503 ( -0.163 0.000 -13.725) 13.726 9.525 ( 2.698 -0.000 -4.201) 4.993 9.834 ( 0.127 -0.000 3.932) 3.934 9.855 ( -2.091 0.000 -6.092) 6.441 10.730 ( -1.036 0.000 -10.151) 10.203 10.890 ( -7.101 0.000 -9.115) 11.554 11.065 ( -3.303 0.000 4.355) 5.466 11.130 ( -3.958 0.000 3.745) 5.449 11.277 ( -0.483 0.000 9.341) 9.353 11.435 ( 0.190 -0.000 9.110) 9.112 13.058 ( 0.795 -0.000 -0.617) 1.006 13.084 ( 0.202 -0.000 -0.497) 0.537 13.677 ( -0.121 0.000 -0.066) 0.138 13.725 ( -0.748 0.000 -0.551) 0.929 14.575 ( 0.074 -0.000 0.399) 0.406 14.693 ( 0.218 -0.000 -0.824) 0.852 25.261 ( -0.111 0.000 1.167) 1.172 25.464 ( -0.183 0.000 -0.889) 0.908 26.407 ( -2.518 0.000 2.960) 3.887 27.321 ( 5.541 -0.000 -10.974) 12.293 27.360 ( 1.030 -0.000 -1.038) 1.462 27.392 ( 4.368 -0.000 -2.831) 5.205 28.453 ( -0.299 0.000 -0.091) 0.312 28.777 ( -1.564 0.000 -6.214) 6.408 ======================= Grid point 98 (40/84) ======================= q-point: ( 0.50 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 6.601 -2.342 9.907) 12.133 1.262 ( 8.871 -9.515 15.859) 20.512 1.789 ( -9.801 0.461 13.927) 17.036 2.130 ( 2.201 2.119 -3.822) 4.893 2.223 ( 0.089 10.908 -2.161) 11.120 2.407 ( 6.079 -5.923 9.514) 12.750 2.453 ( 0.977 -7.266 9.497) 11.998 2.628 ( 2.384 -2.993 -6.407) 7.462 2.862 ( 2.325 -3.076 3.142) 4.974 3.227 ( -16.075 -1.481 -5.457) 17.041 3.357 ( 1.425 0.812 -2.796) 3.242 3.998 ( 7.767 2.488 6.374) 10.351 4.127 ( -2.839 -0.555 1.449) 3.235 4.319 ( 11.603 -0.526 -3.364) 12.092 4.525 ( -12.848 2.654 -5.046) 14.056 4.970 ( 4.833 -5.734 3.110) 8.119 5.523 ( 0.615 0.553 -4.259) 4.338 5.751 ( 4.406 5.447 -6.459) 9.529 5.929 ( -4.624 2.294 1.134) 5.285 6.090 ( -0.351 2.795 -2.543) 3.795 6.117 ( -2.421 -4.946 -0.063) 5.507 6.217 ( -1.901 0.162 7.125) 7.376 6.975 ( 2.319 0.790 -10.400) 10.685 7.537 ( -4.515 4.815 -6.814) 9.487 8.208 ( 0.500 -1.992 10.373) 10.574 8.223 ( -0.979 -3.566 13.108) 13.620 8.557 ( 1.884 -3.493 2.973) 4.959 9.005 ( 1.964 -0.443 0.788) 2.163 9.066 ( 1.531 -0.507 3.710) 4.045 9.260 ( 2.819 17.179 -10.915) 20.547 9.423 ( 0.835 0.552 4.785) 4.888 9.641 ( -3.228 -6.394 -4.485) 8.451 9.747 ( -2.039 3.570 3.849) 5.632 9.982 ( -0.189 -6.585 -6.390) 9.177 10.781 ( 1.718 -4.347 -10.938) 11.895 10.844 ( -5.732 -0.911 -9.389) 11.038 11.033 ( -1.250 1.082 3.420) 3.799 11.118 ( -1.557 -0.906 2.821) 3.347 11.210 ( -0.177 5.434 8.428) 10.029 11.463 ( 0.293 -1.584 8.661) 8.809 13.045 ( 0.205 1.518 -0.405) 1.584 13.081 ( 0.335 0.633 -0.578) 0.921 13.681 ( -0.116 -0.451 -0.075) 0.472 13.727 ( -0.348 -0.669 -0.548) 0.932 14.573 ( 0.042 0.233 0.379) 0.447 14.689 ( 0.095 0.542 -0.807) 0.977 25.265 ( -0.045 -0.492 1.164) 1.264 25.468 ( -0.097 -0.536 -0.878) 1.033 26.393 ( -1.489 -0.021 3.339) 3.656 27.281 ( 7.252 6.099 -6.893) 11.718 27.345 ( -1.001 2.096 -1.724) 2.892 27.432 ( 0.058 -0.434 -3.757) 3.782 28.449 ( -0.074 0.662 -0.376) 0.765 28.720 ( -1.039 3.966 -5.266) 6.674 ======================= Grid point 99 (41/84) ======================= q-point: ( 0.62 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -0.000 -9.225 3.380) 9.825 1.565 ( -0.000 -16.606 10.813) 19.816 1.710 ( 0.000 2.897 15.896) 16.158 1.928 ( 0.000 15.486 -2.714) 15.722 2.154 ( -0.000 -0.608 -2.779) 2.844 2.438 ( -0.000 -1.434 4.777) 4.988 2.661 ( -0.000 -0.678 -5.224) 5.267 2.765 ( -0.000 -15.589 9.997) 18.519 2.898 ( -0.000 -0.432 3.877) 3.901 3.215 ( -0.000 -1.562 -6.175) 6.369 3.345 ( 0.000 0.932 -2.481) 2.650 3.933 ( 0.000 5.950 5.923) 8.396 4.193 ( -0.000 -5.832 -3.325) 6.713 4.282 ( 0.000 8.984 -5.371) 10.467 4.468 ( -0.000 -2.723 -1.299) 3.017 5.138 ( -0.000 -8.943 2.679) 9.335 5.501 ( 0.000 2.401 -4.866) 5.426 5.592 ( 0.000 11.242 -3.911) 11.903 5.897 ( -0.000 -1.148 1.299) 1.734 6.014 ( 0.000 2.949 -0.874) 3.076 6.180 ( 0.000 2.055 8.611) 8.853 6.276 ( -0.000 -9.406 0.752) 9.436 6.959 ( 0.000 1.796 -6.216) 6.470 7.373 ( 0.000 10.166 -4.457) 11.100 8.260 ( -0.000 -4.173 3.969) 5.759 8.334 ( -0.000 -6.636 11.102) 12.934 8.645 ( -0.000 -4.346 5.362) 6.902 8.898 ( 0.000 17.981 -9.161) 20.180 9.033 ( -0.000 -0.352 1.791) 1.825 9.089 ( -0.000 -1.414 3.651) 3.915 9.418 ( 0.000 0.383 4.387) 4.404 9.635 ( 0.000 6.578 5.830) 8.790 9.795 ( -0.000 -9.476 -5.879) 11.152 10.078 ( -0.000 -4.030 -6.471) 7.623 10.779 ( 0.000 2.803 -7.858) 8.343 10.949 ( -0.000 -8.794 -13.700) 16.279 11.012 ( 0.000 0.565 3.063) 3.115 11.093 ( 0.000 6.049 7.199) 9.403 11.138 ( -0.000 -1.638 1.385) 2.145 11.479 ( 0.000 0.304 6.709) 6.715 13.013 ( 0.000 1.690 -0.175) 1.699 13.062 ( 0.000 1.432 -0.573) 1.542 13.692 ( -0.000 -0.706 -0.071) 0.709 13.743 ( -0.000 -0.917 -0.604) 1.098 14.568 ( 0.000 0.309 0.357) 0.473 14.676 ( 0.000 0.733 -0.749) 1.048 25.276 ( -0.000 -0.565 1.175) 1.304 25.481 ( -0.000 -0.753 -0.876) 1.156 26.381 ( 0.000 0.741 3.241) 3.325 27.206 ( 0.000 6.231 -6.254) 8.828 27.256 ( 0.000 4.852 -0.875) 4.930 27.430 ( 0.000 0.176 -2.953) 2.959 28.402 ( 0.000 4.147 -0.465) 4.173 28.662 ( 0.000 0.662 -3.204) 3.271 ======================= Grid point 108 (42/84) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 0.000 -0.000 15.071) 15.071 1.188 ( 0.000 0.000 14.952) 14.952 1.755 ( 0.000 -0.000 15.468) 15.468 2.116 ( -0.000 0.000 -3.356) 3.356 2.338 ( 0.000 -0.000 12.567) 12.567 2.380 ( -0.000 0.000 -3.427) 3.427 2.403 ( 0.000 -0.000 8.600) 8.600 2.630 ( -0.000 0.000 -7.426) 7.426 2.863 ( 0.000 -0.000 3.149) 3.149 3.096 ( -0.000 0.000 -5.998) 5.998 3.370 ( -0.000 0.000 -3.385) 3.385 4.079 ( -0.000 0.000 2.015) 2.015 4.084 ( 0.000 -0.000 10.339) 10.339 4.377 ( -0.000 0.000 -6.339) 6.339 4.486 ( 0.000 -0.000 -4.916) 4.916 4.931 ( 0.000 -0.000 2.869) 2.869 5.528 ( -0.000 0.000 -3.929) 3.929 5.840 ( -0.000 0.000 -8.895) 8.895 5.956 ( 0.000 -0.000 2.996) 2.996 6.007 ( 0.000 -0.000 -0.450) 0.450 6.130 ( -0.000 0.000 -3.531) 3.531 6.217 ( 0.000 -0.000 6.637) 6.637 6.991 ( 0.000 -0.000 -12.361) 12.361 7.563 ( 0.000 0.000 -7.382) 7.382 8.171 ( 0.000 -0.000 14.109) 14.109 8.207 ( -0.000 0.000 14.150) 14.150 8.525 ( -0.000 0.000 0.914) 0.914 8.992 ( 0.000 -0.000 0.981) 0.981 9.071 ( 0.000 -0.000 6.240) 6.240 9.431 ( 0.000 -0.000 5.131) 5.131 9.501 ( -0.000 0.000 -16.586) 16.586 9.551 ( -0.000 0.000 -4.142) 4.142 9.833 ( 0.000 -0.000 -6.220) 6.220 9.835 ( -0.000 0.000 3.890) 3.890 10.721 ( 0.000 0.000 -10.326) 10.326 10.826 ( 0.000 0.000 -8.581) 8.581 11.040 ( 0.000 -0.000 3.240) 3.240 11.100 ( 0.000 0.000 3.313) 3.313 11.274 ( 0.000 -0.000 9.052) 9.052 11.438 ( -0.000 0.000 9.289) 9.289 13.065 ( 0.000 0.000 -0.632) 0.632 13.086 ( 0.000 -0.000 -0.457) 0.457 13.676 ( 0.000 -0.000 -0.083) 0.083 13.719 ( -0.000 0.000 -0.509) 0.509 14.576 ( -0.000 0.000 0.382) 0.382 14.695 ( -0.000 0.000 -0.839) 0.839 25.260 ( 0.000 -0.000 1.158) 1.158 25.462 ( 0.000 -0.000 -0.884) 0.884 26.387 ( 0.000 0.000 3.600) 3.600 27.363 ( 0.000 -0.000 -1.028) 1.028 27.368 ( 0.000 -0.000 -8.655) 8.655 27.427 ( 0.000 0.000 -3.361) 3.361 28.451 ( 0.000 0.000 -0.181) 0.181 28.764 ( 0.000 -0.000 -6.517) 6.517 ======================= Grid point 138 (43/84) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 0.000 0.000 17.095) 17.095 0.784 ( 0.000 0.000 18.218) 18.218 1.575 ( 0.000 0.000 7.310) 7.310 1.809 ( 0.000 0.000 -13.140) 13.140 1.885 ( 0.000 0.000 19.004) 19.004 2.534 ( 0.000 0.000 4.906) 4.906 2.692 ( 0.000 0.000 4.406) 4.406 3.166 ( 0.000 0.000 3.923) 3.923 3.366 ( 0.000 0.000 18.553) 18.553 3.377 ( 0.000 0.000 0.855) 0.855 3.571 ( 0.000 0.000 -16.943) 16.943 3.635 ( 0.000 0.000 9.043) 9.043 4.061 ( 0.000 0.000 -4.461) 4.461 4.447 ( 0.000 0.000 10.733) 10.733 4.501 ( 0.000 0.000 12.393) 12.393 4.735 ( 0.000 0.000 -13.594) 13.594 5.345 ( 0.000 0.000 -9.625) 9.625 5.346 ( 0.000 0.000 -10.705) 10.705 6.051 ( 0.000 0.000 -5.559) 5.559 6.123 ( 0.000 0.000 -8.604) 8.604 6.141 ( 0.000 0.000 3.702) 3.702 6.489 ( 0.000 0.000 11.933) 11.933 6.596 ( 0.000 0.000 -9.150) 9.150 7.312 ( 0.000 0.000 -11.846) 11.846 8.495 ( 0.000 0.000 14.791) 14.791 8.532 ( 0.000 0.000 5.063) 5.063 8.623 ( 0.000 0.000 18.834) 18.834 8.824 ( 0.000 0.000 -3.120) 3.120 8.957 ( 0.000 0.000 0.634) 0.634 9.161 ( 0.000 0.000 -5.862) 5.862 9.299 ( 0.000 0.000 -8.203) 8.203 9.706 ( 0.000 0.000 -11.917) 11.917 9.904 ( 0.000 0.000 9.759) 9.759 10.052 ( 0.000 0.000 12.024) 12.024 10.561 ( 0.000 0.000 -10.663) 10.663 10.914 ( 0.000 0.000 -12.399) 12.399 11.282 ( 0.000 0.000 3.217) 3.217 11.314 ( 0.000 0.000 3.738) 3.738 11.738 ( 0.000 0.000 5.706) 5.706 11.957 ( 0.000 0.000 -1.429) 1.429 13.023 ( 0.000 0.000 -0.078) 0.078 13.058 ( 0.000 0.000 -1.067) 1.067 13.681 ( 0.000 0.000 0.216) 0.216 13.723 ( 0.000 0.000 -0.904) 0.904 14.587 ( 0.000 0.000 0.949) 0.949 14.664 ( 0.000 0.000 -1.105) 1.105 25.300 ( 0.000 0.000 2.056) 2.056 25.443 ( 0.000 0.000 -1.785) 1.785 26.101 ( 0.000 0.000 4.642) 4.642 26.481 ( 0.000 0.000 -5.508) 5.508 27.200 ( 0.000 0.000 3.824) 3.824 27.328 ( 0.000 0.000 0.664) 0.664 28.490 ( 0.000 0.000 1.524) 1.524 28.758 ( 0.000 0.000 -5.939) 5.939 ======================= Grid point 139 (44/84) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 6.371 -5.319 15.187) 17.307 1.039 ( 7.766 -20.220 11.668) 24.602 1.648 ( -0.658 -5.454 8.568) 10.178 1.842 ( 6.306 -1.863 -7.521) 9.990 1.943 ( 4.986 -4.001 11.576) 13.223 2.524 ( -0.114 0.605 5.812) 5.844 2.705 ( -1.360 -1.764 4.810) 5.301 3.113 ( -5.041 4.034 4.391) 7.808 3.241 ( -11.970 0.557 8.374) 14.619 3.449 ( 8.113 4.195 3.209) 9.680 3.577 ( -1.660 -1.165 4.754) 5.169 3.604 ( 2.697 1.133 -8.807) 9.280 3.978 ( -5.730 5.667 -3.878) 8.944 4.501 ( -2.029 -1.764 11.073) 11.395 4.573 ( 7.984 -6.809 9.272) 14.003 4.684 ( -1.170 4.349 -13.354) 14.093 5.315 ( -0.748 2.278 -9.395) 9.696 5.360 ( 3.849 0.198 -9.434) 10.191 6.017 ( 0.170 0.175 -2.725) 2.736 6.141 ( -0.769 -0.336 3.633) 3.729 6.242 ( -0.991 -8.579 -7.942) 11.733 6.467 ( 0.133 1.567 8.495) 8.639 6.602 ( 1.984 0.650 -5.396) 5.786 7.306 ( 4.416 2.926 -12.070) 13.181 8.468 ( -1.739 1.867 8.568) 8.940 8.587 ( -1.023 -3.459 13.647) 14.115 8.611 ( 1.589 -0.754 13.599) 13.713 8.788 ( -4.942 1.672 -2.778) 5.911 9.001 ( 1.834 -3.143 1.647) 3.994 9.134 ( 2.269 2.827 -5.052) 6.218 9.394 ( 1.370 -6.566 -4.866) 8.287 9.739 ( -0.188 -2.022 -7.813) 8.073 9.903 ( -0.829 -0.863 6.044) 6.161 10.072 ( -3.102 -3.267 6.860) 8.207 10.537 ( -0.228 2.134 -10.635) 10.850 10.905 ( -2.220 -0.234 -12.648) 12.844 11.258 ( -0.306 2.201 3.783) 4.387 11.312 ( 0.195 0.565 2.929) 2.989 11.558 ( -3.450 14.273 8.335) 16.885 11.824 ( -7.649 8.100 -0.145) 11.142 13.015 ( 0.055 0.721 -0.096) 0.729 13.048 ( 0.068 1.009 -1.058) 1.463 13.686 ( 0.010 -0.463 0.164) 0.491 13.727 ( 0.141 -0.295 -0.953) 1.007 14.586 ( -0.058 0.137 0.824) 0.838 14.660 ( 0.018 0.355 -1.106) 1.162 25.302 ( 0.019 -0.261 2.065) 2.081 25.446 ( 0.019 -0.293 -1.782) 1.806 26.191 ( 14.587 -1.664 2.518) 14.896 26.516 ( -0.221 -3.449 -5.058) 6.126 27.208 ( 1.604 0.520 2.336) 2.881 27.357 ( -0.069 -2.470 -0.303) 2.490 28.479 ( -0.468 1.086 0.939) 1.510 28.725 ( -1.414 2.482 -5.520) 6.215 ======================= Grid point 140 (45/84) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 9.860 -7.477 9.606) 15.665 1.485 ( 5.499 -17.746 9.981) 21.089 1.695 ( -5.400 -1.936 -2.230) 6.154 2.010 ( 11.865 -6.555 16.016) 20.982 2.099 ( 6.636 -6.091 -5.958) 10.800 2.533 ( 1.692 -1.743 7.004) 7.413 2.735 ( -2.630 -2.910 5.290) 6.586 2.951 ( -11.132 4.761 4.872) 13.051 3.154 ( -2.169 3.886 2.045) 4.898 3.360 ( -3.870 3.830 4.790) 7.252 3.560 ( 1.522 1.898 -5.538) 6.049 3.631 ( -3.753 2.705 -5.207) 6.965 3.829 ( 2.648 3.023 0.077) 4.019 4.492 ( -5.130 2.486 0.666) 5.739 4.554 ( -1.617 3.716 -6.584) 7.731 4.828 ( 10.958 -9.738 9.026) 17.215 5.265 ( 0.491 2.450 -8.715) 9.066 5.395 ( 4.756 -0.140 -6.824) 8.319 6.064 ( -0.294 -4.180 1.990) 4.639 6.141 ( 0.100 -0.318 3.649) 3.664 6.334 ( -6.851 -1.566 -2.007) 7.308 6.493 ( 1.704 -4.521 2.665) 5.518 6.597 ( 3.843 1.372 -1.451) 4.331 7.255 ( 3.544 5.647 -10.606) 12.528 8.398 ( -3.973 2.244 4.799) 6.622 8.580 ( -2.342 2.374 6.198) 7.038 8.678 ( -2.808 -1.219 9.187) 9.684 8.766 ( 0.805 -5.750 8.388) 10.201 9.053 ( 5.879 1.772 -3.042) 6.853 9.148 ( -0.088 -3.824 1.930) 4.284 9.487 ( 1.034 -1.704 5.246) 5.612 9.728 ( -0.145 3.094 3.420) 4.615 9.943 ( -2.093 -3.751 -5.122) 6.685 10.104 ( -6.078 -2.388 -2.850) 7.125 10.491 ( 1.706 2.523 -10.951) 11.366 10.895 ( -4.016 -1.226 -13.596) 14.230 11.192 ( -2.262 3.684 4.260) 6.070 11.278 ( -1.007 6.355 5.813) 8.671 11.289 ( -1.355 5.269 3.710) 6.585 11.587 ( -4.108 9.991 -0.808) 10.833 12.998 ( 0.183 1.048 -0.192) 1.081 13.024 ( 0.153 1.330 -0.871) 1.598 13.698 ( 0.035 -0.683 0.042) 0.685 13.735 ( 0.052 -0.450 -0.958) 1.060 14.581 ( -0.130 0.328 0.761) 0.839 14.652 ( 0.033 0.503 -1.116) 1.224 25.310 ( 0.131 -0.456 2.085) 2.138 25.455 ( 0.107 -0.525 -1.777) 1.856 26.344 ( 15.430 -1.275 1.757) 15.582 26.591 ( -2.267 -4.591 -3.641) 6.283 27.201 ( 3.531 1.910 1.278) 4.213 27.390 ( -1.268 -0.894 -2.191) 2.685 28.436 ( -0.782 2.806 0.699) 2.996 28.663 ( -1.858 1.896 -4.785) 5.472 ======================= Grid point 141 (46/84) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 8.733 -6.691 4.340) 11.827 1.654 ( -5.634 1.218 -2.546) 6.301 1.801 ( 4.702 -11.099 12.355) 17.261 2.123 ( -1.115 0.386 7.867) 7.955 2.307 ( 9.827 -7.059 -0.978) 12.139 2.631 ( 4.062 -4.248 6.085) 8.460 2.740 ( -5.103 2.660 0.820) 5.812 2.837 ( -4.072 -4.640 7.480) 9.698 3.030 ( 2.084 8.325 -2.322) 8.890 3.293 ( -4.920 0.092 4.432) 6.622 3.429 ( -10.552 7.264 0.841) 12.838 3.535 ( 0.895 1.409 -10.452) 10.584 3.921 ( 9.752 -3.555 -2.159) 10.602 4.316 ( -6.348 7.713 -11.335) 15.109 4.536 ( -1.621 -0.689 5.397) 5.677 5.105 ( 9.613 -9.325 5.635) 14.530 5.234 ( 1.804 1.297 -7.861) 8.169 5.421 ( 1.685 0.998 -2.981) 3.567 6.080 ( -2.583 0.732 2.823) 3.896 6.211 ( -0.128 -2.500 5.451) 5.999 6.272 ( -2.151 -0.590 -0.290) 2.249 6.536 ( -2.464 -0.499 8.546) 8.908 6.680 ( 4.211 -4.883 -3.441) 7.308 7.145 ( 1.247 6.985 -7.714) 10.481 8.345 ( -1.898 0.484 0.913) 2.161 8.467 ( -6.246 3.647 -1.896) 7.477 8.707 ( 2.366 -1.278 12.741) 13.022 8.898 ( 0.094 -5.082 12.111) 13.135 9.072 ( 5.580 -0.013 -2.466) 6.100 9.217 ( -1.401 -2.581 3.030) 4.220 9.512 ( 1.454 -0.791 10.579) 10.707 9.642 ( 0.038 4.927 7.456) 8.937 9.981 ( -2.995 -1.905 -9.032) 9.704 10.052 ( -5.903 1.648 -7.722) 9.859 10.482 ( 4.070 1.067 -11.778) 12.507 10.882 ( -5.367 -1.028 -15.010) 15.974 11.107 ( -2.200 2.409 3.439) 4.740 11.155 ( -0.641 4.215 5.109) 6.654 11.238 ( -1.679 0.118 0.801) 1.864 11.417 ( 1.773 6.423 -0.664) 6.696 12.980 ( 0.110 0.819 -0.167) 0.843 13.004 ( 0.194 0.824 -0.670) 1.079 13.710 ( 0.026 -0.490 -0.060) 0.495 13.744 ( 0.009 -0.356 -0.948) 1.013 14.574 ( -0.097 0.258 0.752) 0.801 14.643 ( 0.008 0.375 -1.105) 1.167 25.320 ( 0.155 -0.371 2.106) 2.144 25.466 ( 0.132 -0.434 -1.782) 1.839 26.470 ( 10.988 -0.662 2.193) 11.224 26.639 ( -4.514 -2.883 -1.615) 5.594 27.207 ( 4.698 0.634 -0.272) 4.748 27.369 ( -2.671 1.157 -3.652) 4.670 28.371 ( -0.670 2.626 1.809) 3.258 28.631 ( -1.141 0.311 -4.567) 4.717 ======================= Grid point 142 (47/84) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 0.000 -0.000 0.970) 0.970 1.595 ( -0.000 0.000 -0.834) 0.834 1.983 ( 0.000 -0.000 18.936) 18.936 2.055 ( 0.000 -0.000 1.340) 1.340 2.434 ( -0.000 -0.000 -0.813) 0.813 2.613 ( 0.000 -0.000 3.162) 3.162 2.761 ( 0.000 0.000 5.627) 5.627 2.918 ( -0.000 -0.000 -2.669) 2.669 2.936 ( -0.000 0.000 -0.874) 0.874 3.222 ( 0.000 -0.000 7.390) 7.390 3.327 ( 0.000 -0.000 2.840) 2.840 3.524 ( -0.000 -0.000 -11.386) 11.386 4.043 ( -0.000 0.000 -5.106) 5.106 4.165 ( 0.000 -0.000 -9.393) 9.393 4.537 ( -0.000 -0.000 5.073) 5.073 5.207 ( 0.000 -0.000 -7.941) 7.941 5.339 ( 0.000 -0.000 1.589) 1.589 5.349 ( -0.000 0.000 1.810) 1.810 6.055 ( 0.000 -0.000 2.482) 2.482 6.181 ( -0.000 0.000 1.049) 1.049 6.335 ( 0.000 -0.000 7.313) 7.313 6.523 ( -0.000 -0.000 6.653) 6.653 6.761 ( 0.000 -0.000 -0.869) 0.869 7.061 ( -0.000 -0.000 -6.634) 6.634 8.345 ( 0.000 -0.000 -1.225) 1.225 8.391 ( -0.000 0.000 -2.413) 2.413 8.734 ( 0.000 -0.000 13.058) 13.058 8.941 ( 0.000 0.000 10.790) 10.790 9.119 ( 0.000 -0.000 0.826) 0.826 9.222 ( -0.000 -0.000 2.067) 2.067 9.555 ( -0.000 0.000 11.352) 11.352 9.561 ( 0.000 -0.000 8.711) 8.711 9.982 ( -0.000 -0.000 -9.988) 9.988 10.005 ( 0.000 0.000 -9.358) 9.358 10.492 ( -0.000 -0.000 -12.163) 12.163 10.863 ( -0.000 -0.000 -16.595) 16.595 11.077 ( 0.000 0.000 5.220) 5.220 11.106 ( 0.000 -0.000 3.775) 3.775 11.246 ( 0.000 -0.000 -0.153) 0.153 11.356 ( -0.000 -0.000 -0.625) 0.625 12.972 ( -0.000 -0.000 -0.106) 0.106 12.997 ( -0.000 -0.000 -0.600) 0.600 13.716 ( 0.000 -0.000 -0.095) 0.095 13.748 ( 0.000 -0.000 -0.947) 0.947 14.571 ( 0.000 0.000 0.749) 0.749 14.639 ( -0.000 -0.000 -1.095) 1.095 25.324 ( 0.000 -0.000 2.115) 2.115 25.471 ( 0.000 -0.000 -1.786) 1.786 26.526 ( 0.000 -0.000 2.596) 2.596 26.643 ( -0.000 -0.000 -0.759) 0.759 27.231 ( 0.000 -0.000 -0.963) 0.963 27.334 ( -0.000 -0.000 -4.528) 4.528 28.341 ( 0.000 -0.000 2.574) 2.574 28.625 ( -0.000 -0.000 -4.606) 4.606 ======================= Grid point 148 (48/84) ======================= q-point: ( 0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 9.416 -0.000 16.423) 18.931 0.976 ( 19.890 -0.000 13.735) 24.171 1.631 ( 7.524 -0.000 7.238) 10.440 1.867 ( 6.526 -0.000 -11.983) 13.645 1.962 ( 9.464 -0.000 17.237) 19.664 2.529 ( -0.711 0.000 5.350) 5.397 2.672 ( -2.527 0.000 6.386) 6.868 3.113 ( -15.639 0.000 10.577) 18.880 3.132 ( -5.245 0.000 2.825) 5.957 3.464 ( -13.468 0.000 2.908) 13.778 3.614 ( 13.304 -0.000 6.769) 14.927 3.650 ( 5.577 -0.000 -10.196) 11.621 3.964 ( -10.984 0.000 -4.092) 11.721 4.492 ( -1.172 0.000 12.559) 12.614 4.566 ( 11.977 -0.000 8.122) 14.471 4.715 ( -2.136 0.000 -11.719) 11.912 5.351 ( 0.770 -0.000 -9.743) 9.773 5.385 ( 4.593 -0.000 -10.239) 11.221 6.046 ( -0.402 0.000 -4.812) 4.829 6.121 ( -0.369 0.000 -8.036) 8.045 6.134 ( -1.042 0.000 3.583) 3.731 6.481 ( -0.973 0.000 12.206) 12.245 6.625 ( 2.438 -0.000 -10.794) 11.066 7.394 ( 7.957 -0.000 -15.229) 17.183 8.494 ( -0.431 0.000 14.952) 14.958 8.521 ( -1.071 0.000 4.251) 4.384 8.618 ( -1.010 0.000 17.977) 18.005 8.773 ( -2.982 0.000 -2.365) 3.806 8.970 ( 1.387 -0.000 0.792) 1.598 9.213 ( 4.828 -0.000 -6.010) 7.708 9.314 ( 1.785 -0.000 -8.098) 8.292 9.705 ( -0.173 0.000 -11.738) 11.739 9.887 ( -2.688 0.000 11.707) 12.011 10.009 ( -4.435 0.000 11.256) 12.098 10.552 ( -1.074 0.000 -10.646) 10.700 10.877 ( -4.415 0.000 -12.237) 13.009 11.279 ( -0.722 0.000 3.467) 3.541 11.319 ( -0.093 0.000 3.330) 3.331 11.686 ( -5.576 0.000 5.793) 8.041 11.785 ( -17.227 0.000 5.004) 17.940 13.024 ( 0.266 -0.000 -0.067) 0.274 13.059 ( 0.206 -0.000 -1.015) 1.036 13.681 ( -0.048 0.000 0.197) 0.203 13.725 ( 0.029 -0.000 -1.074) 1.075 14.587 ( -0.005 0.000 0.926) 0.926 14.664 ( 0.064 -0.000 -1.141) 1.143 25.299 ( -0.059 0.000 2.064) 2.065 25.443 ( -0.107 0.000 -1.762) 1.766 26.365 ( 27.360 -0.000 -5.804) 27.969 26.484 ( 0.347 -0.000 -3.354) 3.372 27.222 ( 2.680 -0.000 2.436) 3.621 27.332 ( 0.433 -0.000 0.394) 0.586 28.483 ( -0.837 0.000 1.268) 1.520 28.735 ( -2.767 0.000 -5.969) 6.579 ======================= Grid point 149 (49/84) ======================= q-point: ( 0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 10.292 -6.488 11.865) 16.994 1.255 ( 16.013 -11.934 12.560) 23.592 1.686 ( 6.720 1.567 0.190) 6.903 1.996 ( 12.115 -6.062 1.490) 13.629 2.072 ( 9.779 -2.311 8.084) 12.896 2.522 ( -0.276 -0.353 5.907) 5.924 2.662 ( -3.901 -1.610 9.371) 10.277 2.924 ( -14.462 4.372 6.688) 16.522 3.135 ( -6.456 -3.403 3.567) 8.124 3.350 ( -10.569 1.666 3.843) 11.369 3.659 ( 0.226 2.633 -0.819) 2.766 3.666 ( 3.348 4.043 -12.305) 13.378 3.879 ( 0.937 0.540 1.560) 1.898 4.471 ( -2.256 0.344 11.078) 11.311 4.628 ( -3.946 3.749 -12.525) 13.656 4.762 ( 12.368 -6.212 8.681) 16.338 5.323 ( 1.469 2.596 -9.700) 10.148 5.437 ( 5.412 -0.244 -8.921) 10.437 6.022 ( 0.280 0.131 -2.200) 2.222 6.117 ( -2.193 -0.982 3.384) 4.150 6.210 ( -3.212 -5.373 -5.354) 8.238 6.464 ( -0.568 0.089 9.931) 9.948 6.643 ( 2.608 0.133 -8.963) 9.336 7.397 ( 4.665 4.818 -14.938) 16.375 8.428 ( -2.759 3.798 7.130) 8.536 8.575 ( -0.846 -4.688 14.117) 14.899 8.616 ( -0.319 0.617 8.541) 8.569 8.741 ( 1.248 1.283 2.239) 2.866 9.029 ( 1.464 -4.333 1.589) 4.842 9.176 ( 2.158 3.820 -4.655) 6.397 9.432 ( 3.040 -5.531 -4.624) 7.824 9.733 ( -0.600 -2.039 -7.696) 7.985 9.866 ( -4.654 -1.354 8.138) 9.471 9.997 ( -4.923 -2.292 5.858) 7.988 10.531 ( -0.415 1.012 -10.828) 10.883 10.839 ( -6.022 -0.430 -12.696) 14.058 11.238 ( -2.871 2.834 3.987) 5.672 11.300 ( -2.552 1.194 2.444) 3.729 11.477 ( -5.395 10.870 9.210) 15.235 11.670 ( -8.291 3.013 3.470) 9.480 13.020 ( 0.515 0.752 -0.165) 0.926 13.051 ( 0.328 1.024 -0.913) 1.411 13.686 ( -0.093 -0.496 0.126) 0.521 13.727 ( -0.235 -0.311 -1.024) 1.096 14.585 ( -0.053 0.208 0.855) 0.882 14.661 ( 0.113 0.368 -1.181) 1.242 25.302 ( -0.030 -0.352 2.072) 2.102 25.446 ( -0.097 -0.399 -1.745) 1.792 26.501 ( 3.603 -0.503 -1.433) 3.910 26.545 ( 20.473 1.863 -6.352) 21.516 27.252 ( 3.593 0.234 -0.036) 3.601 27.353 ( -0.480 -1.615 -0.875) 1.898 28.466 ( -1.010 1.067 0.688) 1.622 28.686 ( -3.273 2.145 -5.562) 6.801 ======================= Grid point 150 (50/84) ======================= q-point: ( 0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 7.818 -7.155 6.533) 12.449 1.603 ( 8.362 -12.834 14.044) 20.782 1.674 ( 3.076 3.244 -4.568) 6.392 2.141 ( 2.795 0.794 9.380) 9.819 2.247 ( 10.628 -7.325 1.310) 12.975 2.559 ( -1.289 -3.914 3.336) 5.301 2.708 ( 1.975 -5.497 12.683) 13.964 2.740 ( -11.787 3.731 2.331) 12.581 3.158 ( -1.849 -1.542 0.027) 2.408 3.234 ( -6.718 2.944 4.845) 8.790 3.451 ( -15.336 6.055 -6.546) 17.740 3.655 ( 9.488 4.790 -8.039) 13.326 3.950 ( 9.300 -1.410 0.252) 9.410 4.399 ( -6.882 5.565 -1.955) 9.064 4.526 ( -1.486 1.192 -0.856) 2.088 5.011 ( 11.068 -8.712 7.087) 15.768 5.291 ( 2.442 2.339 -9.251) 9.849 5.464 ( 3.412 1.365 -5.947) 6.991 6.034 ( -3.557 -1.597 1.818) 4.302 6.151 ( -1.226 -3.145 3.162) 4.625 6.224 ( -4.279 -1.170 0.010) 4.436 6.488 ( -1.656 -2.200 8.617) 9.046 6.677 ( 5.457 -1.062 -7.480) 9.319 7.296 ( 0.535 7.279 -11.548) 13.661 8.342 ( -2.633 2.003 3.326) 4.691 8.538 ( 0.245 6.161 -2.469) 6.642 8.665 ( -0.725 -4.477 16.130) 16.756 8.799 ( 2.998 -4.567 10.369) 11.720 9.123 ( 2.482 -1.116 -0.416) 2.753 9.141 ( -0.832 -1.424 0.403) 1.698 9.512 ( 2.115 -1.235 4.543) 5.162 9.725 ( -0.270 2.787 3.033) 4.128 9.874 ( -7.311 -3.671 -3.774) 9.010 10.001 ( -5.237 -1.901 -3.363) 6.508 10.527 ( 2.624 0.253 -11.906) 12.195 10.800 ( -7.668 -1.280 -14.431) 16.392 11.143 ( -3.383 3.237 4.070) 6.203 11.237 ( -4.002 1.978 1.305) 4.651 11.275 ( -0.095 7.621 8.343) 11.300 11.550 ( -0.157 5.431 1.499) 5.636 13.003 ( 0.360 1.228 -0.174) 1.291 13.030 ( 0.564 1.358 -0.749) 1.650 13.697 ( -0.164 -0.726 0.023) 0.745 13.734 ( -0.249 -0.554 -0.957) 1.133 14.579 ( -0.056 0.343 0.799) 0.872 14.653 ( 0.065 0.551 -1.175) 1.300 25.311 ( 0.043 -0.541 2.085) 2.155 25.456 ( -0.002 -0.631 -1.749) 1.859 26.526 ( -1.033 -0.758 1.658) 2.095 26.652 ( 16.863 2.194 -4.077) 17.487 27.263 ( 3.738 1.418 -1.055) 4.135 27.360 ( -2.468 0.033 -3.114) 3.974 28.421 ( -1.050 2.760 0.666) 3.027 28.627 ( -2.496 0.922 -4.637) 5.347 ======================= Grid point 151 (51/84) ======================= q-point: ( 0.50 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 3.467 -4.548 2.002) 6.059 1.606 ( 0.003 2.867 -2.038) 3.517 1.902 ( 8.113 -10.303 13.801) 19.038 2.089 ( -2.814 3.618 7.530) 8.815 2.382 ( -2.418 -4.075 3.758) 6.048 2.568 ( -13.189 0.673 -0.666) 13.223 2.669 ( 1.942 -3.566 3.641) 5.454 2.896 ( 7.946 -5.885 5.536) 11.332 3.065 ( -0.952 8.019 -5.615) 9.835 3.197 ( -2.720 -2.362 8.749) 9.461 3.294 ( -5.277 0.350 -3.311) 6.240 3.633 ( 10.064 5.243 -7.337) 13.513 4.046 ( 4.973 -1.447 -4.682) 6.982 4.201 ( -7.358 6.183 -7.287) 12.061 4.534 ( 1.358 -0.913 5.083) 5.340 5.221 ( 4.484 -2.256 -3.167) 5.935 5.287 ( 4.352 -2.515 -1.969) 5.398 5.415 ( -2.466 4.754 -1.074) 5.462 6.026 ( -3.774 -1.268 2.121) 4.511 6.131 ( -6.665 -1.626 0.939) 6.925 6.312 ( 4.474 -3.559 7.462) 9.400 6.502 ( -1.696 -1.647 7.296) 7.669 6.763 ( 5.723 -2.260 -4.091) 7.389 7.135 ( -2.730 7.705 -7.520) 11.107 8.326 ( -0.227 -1.183 -0.472) 1.294 8.433 ( 1.762 4.136 -3.632) 5.779 8.721 ( -0.644 -1.540 14.695) 14.789 8.911 ( 1.634 -3.796 11.892) 12.590 9.121 ( -0.337 0.677 0.324) 0.823 9.185 ( -1.774 -2.464 1.846) 3.554 9.539 ( 1.738 -0.267 9.569) 9.729 9.644 ( 0.295 5.018 7.084) 8.686 9.886 ( -7.241 -4.476 -8.665) 12.147 10.002 ( -1.343 -1.288 -8.113) 8.323 10.524 ( 0.428 2.403 -12.384) 12.622 10.800 ( -3.339 -4.301 -16.770) 17.632 11.087 ( -0.549 0.813 4.088) 4.204 11.146 ( -0.394 4.609 6.378) 7.879 11.212 ( -1.595 -0.916 0.882) 2.040 11.451 ( 2.184 5.863 -0.226) 6.261 12.982 ( 0.125 0.948 -0.069) 0.959 13.010 ( 0.535 1.072 -0.663) 1.369 13.709 ( -0.229 -0.557 -0.037) 0.604 13.743 ( -0.136 -0.448 -0.948) 1.057 14.573 ( 0.008 0.230 0.756) 0.790 14.643 ( 0.012 0.398 -1.131) 1.199 25.321 ( -0.015 -0.344 2.105) 2.133 25.467 ( -0.015 -0.427 -1.768) 1.819 26.507 ( -4.186 0.585 3.532) 5.508 26.726 ( 12.906 2.330 -2.937) 13.439 27.247 ( -1.257 2.049 -1.097) 2.642 27.334 ( -0.253 0.148 -4.529) 4.538 28.360 ( -0.754 2.142 1.947) 2.992 28.614 ( -0.959 -0.668 -4.439) 4.590 ======================= Grid point 152 (52/84) ======================= q-point: (-0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -5.856 5.982 2.533) 8.746 1.655 ( 5.623 -3.962 -3.085) 7.539 1.940 ( -3.193 6.851 15.328) 17.091 2.123 ( 5.774 -3.088 5.435) 8.510 2.356 ( -7.152 4.460 -1.715) 8.602 2.558 ( -6.544 -10.506 5.110) 13.391 2.700 ( -4.349 1.378 6.350) 7.819 2.904 ( -1.664 3.666 1.489) 4.293 2.997 ( 6.391 0.610 -6.249) 8.959 3.283 ( -1.742 -1.225 -2.626) 3.381 3.344 ( 8.342 -8.051 6.948) 13.515 3.614 ( 9.316 4.547 -5.638) 11.801 3.940 ( -9.544 6.235 -3.524) 11.932 4.221 ( 3.635 -5.844 -11.996) 13.830 4.564 ( 2.952 -0.074 6.211) 6.877 5.207 ( -1.223 4.043 -4.149) 5.921 5.240 ( -5.484 6.452 -0.001) 8.468 5.388 ( 0.502 -2.189 -0.841) 2.398 6.047 ( -0.734 -2.759 2.464) 3.771 6.174 ( -0.830 -5.662 0.164) 5.725 6.317 ( -1.326 3.773 9.108) 9.947 6.553 ( 2.739 -1.585 6.049) 6.827 6.796 ( 4.015 5.352 -1.595) 6.878 7.024 ( -4.236 -2.146 -5.538) 7.295 8.340 ( 0.611 -0.408 -1.115) 1.336 8.462 ( 6.567 -3.197 -2.319) 7.663 8.709 ( -2.715 1.267 11.919) 12.290 8.949 ( 0.935 0.715 9.479) 9.552 9.061 ( -5.717 2.449 2.567) 6.728 9.235 ( 0.810 -1.925 2.209) 3.040 9.548 ( -0.472 4.076 10.657) 11.419 9.567 ( 0.320 -2.184 9.164) 9.426 9.950 ( -1.910 -4.987 -10.241) 11.550 10.045 ( 2.730 -2.862 -8.630) 9.493 10.458 ( -3.145 2.142 -11.870) 12.465 10.895 ( 2.854 -3.613 -15.991) 16.640 11.087 ( 1.165 -0.671 4.090) 4.305 11.106 ( 0.054 -1.437 3.808) 4.070 11.237 ( -1.039 -1.887 0.054) 2.155 11.362 ( 0.616 3.426 -0.810) 3.574 12.972 ( 0.014 0.081 -0.089) 0.121 12.999 ( 0.231 0.318 -0.671) 0.778 13.714 ( -0.200 -0.090 -0.050) 0.225 13.747 ( -0.067 -0.033 -0.949) 0.952 14.571 ( 0.072 -0.040 0.724) 0.728 14.639 ( 0.001 0.000 -1.093) 1.093 25.323 ( -0.140 0.071 2.119) 2.125 25.470 ( -0.096 0.067 -1.788) 1.792 26.437 ( -5.925 2.439 4.304) 7.719 26.758 ( 9.016 3.568 -3.576) 10.334 27.174 ( -5.488 1.524 -0.112) 5.697 27.361 ( 1.974 -1.421 -4.135) 4.797 28.340 ( -0.059 -0.614 2.575) 2.647 28.626 ( 0.119 -0.792 -4.604) 4.673 ======================= Grid point 153 (53/84) ======================= q-point: (-0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -5.914 8.055 7.466) 12.474 1.739 ( 0.556 8.221 13.386) 15.719 1.775 ( 4.225 1.134 -6.948) 8.210 2.092 ( -5.606 8.519 12.430) 16.078 2.183 ( -2.693 6.080 -5.917) 8.901 2.577 ( -1.740 4.307 7.732) 9.020 2.787 ( 2.554 -6.479 4.342) 8.207 2.843 ( -3.379 -2.993 4.893) 6.657 3.103 ( 7.813 -4.891 -4.009) 10.052 3.292 ( -3.439 -1.948 -0.113) 3.954 3.555 ( 4.657 -4.806 2.457) 7.129 3.620 ( 8.413 0.272 -5.523) 10.068 3.764 ( -9.406 2.526 -1.019) 9.792 4.386 ( 2.300 -8.223 -15.918) 18.064 4.577 ( 2.579 1.092 8.028) 8.502 4.965 ( -6.256 11.203 7.498) 14.861 5.224 ( 0.196 -1.308 -7.765) 7.877 5.381 ( -2.283 1.168 -4.620) 5.283 6.105 ( 0.658 -2.551 3.135) 4.095 6.188 ( -1.057 6.631 6.232) 9.161 6.313 ( 1.214 -6.490 -2.582) 7.090 6.568 ( 1.161 1.059 9.083) 9.218 6.643 ( -0.707 9.637 -3.600) 10.311 7.118 ( -1.417 -6.857 -6.413) 9.495 8.380 ( 1.885 -2.432 2.446) 3.931 8.585 ( 5.943 -0.751 3.969) 7.186 8.665 ( -1.846 -1.830 4.972) 5.610 8.904 ( 0.876 5.893 11.726) 13.153 8.970 ( -5.917 0.116 -2.822) 6.556 9.228 ( 0.207 3.052 3.534) 4.674 9.497 ( -0.416 0.805 11.023) 11.060 9.642 ( 0.010 -4.960 7.746) 9.197 10.002 ( 0.404 0.015 -9.486) 9.495 10.139 ( 3.504 -2.844 -7.177) 8.478 10.426 ( -2.282 -1.578 -10.942) 11.289 10.937 ( 1.532 0.292 -11.094) 11.203 11.145 ( 1.780 -2.363 2.477) 3.859 11.163 ( 0.252 -3.256 1.962) 3.810 11.261 ( 0.932 -1.618 1.006) 2.121 11.399 ( -0.491 -8.423 -1.792) 8.625 12.979 ( -0.028 -0.740 -0.202) 0.768 13.003 ( 0.024 -0.664 -0.794) 1.035 13.709 ( -0.098 0.423 -0.015) 0.435 13.743 ( -0.051 0.352 -0.935) 1.000 14.575 ( 0.077 -0.285 0.705) 0.765 14.643 ( -0.002 -0.361 -1.083) 1.141 25.317 ( -0.130 0.371 2.109) 2.145 25.464 ( -0.095 0.449 -1.794) 1.852 26.325 ( -5.442 4.220 4.629) 8.297 26.718 ( 3.565 5.681 -5.572) 8.719 27.137 ( -3.100 -1.509 2.500) 4.259 27.399 ( 1.000 -0.893 -3.203) 3.473 28.379 ( 0.269 -2.989 1.693) 3.446 28.645 ( 0.516 -1.004 -4.642) 4.777 ======================= Grid point 154 (54/84) ======================= q-point: (-0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 0.000 7.727 12.736) 14.897 1.442 ( 0.000 19.989 8.575) 21.751 1.822 ( -0.000 -0.108 -11.952) 11.952 1.834 ( 0.000 10.955 18.132) 21.185 2.040 ( 0.000 7.434 1.862) 7.664 2.522 ( 0.000 0.819 7.194) 7.240 2.757 ( 0.000 2.934 3.913) 4.890 3.019 ( -0.000 -7.958 4.940) 9.367 3.273 ( -0.000 -6.763 -2.126) 7.089 3.301 ( -0.000 -1.743 7.397) 7.600 3.582 ( 0.000 0.421 6.129) 6.144 3.610 ( 0.000 2.247 -11.097) 11.322 3.846 ( -0.000 -9.297 -1.952) 9.500 4.557 ( -0.000 -7.656 -17.023) 18.666 4.558 ( 0.000 1.938 10.438) 10.617 4.720 ( 0.000 10.467 9.316) 14.012 5.270 ( -0.000 -2.867 -8.165) 8.654 5.345 ( 0.000 0.909 -7.452) 7.508 6.063 ( 0.000 4.779 1.873) 5.133 6.143 ( -0.000 -0.754 3.496) 3.576 6.420 ( -0.000 -3.228 0.749) 3.314 6.439 ( 0.000 10.288 -6.393) 12.112 6.570 ( -0.000 -1.264 4.891) 5.052 7.222 ( -0.000 -4.376 -9.405) 10.373 8.440 ( -0.000 -2.333 5.734) 6.190 8.576 ( 0.000 0.011 12.391) 12.391 8.725 ( 0.000 4.022 10.837) 11.559 8.778 ( 0.000 0.989 -0.695) 1.208 8.982 ( -0.000 -2.902 -3.549) 4.585 9.148 ( 0.000 4.256 2.422) 4.897 9.479 ( 0.000 2.052 5.228) 5.617 9.729 ( -0.000 -3.184 3.593) 4.801 9.958 ( 0.000 3.736 -5.547) 6.688 10.156 ( 0.000 2.739 -2.863) 3.962 10.477 ( -0.000 -3.711 -10.544) 11.178 10.926 ( 0.000 1.077 -13.163) 13.207 11.209 ( -0.000 -2.910 4.215) 5.122 11.291 ( -0.000 -11.677 7.815) 14.051 11.295 ( -0.000 -1.233 1.991) 2.342 11.631 ( -0.000 -12.990 -2.536) 13.235 12.997 ( -0.000 -1.018 -0.193) 1.036 13.024 ( -0.000 -1.307 -0.986) 1.637 13.697 ( 0.000 0.650 0.074) 0.655 13.734 ( 0.000 0.470 -0.917) 1.031 14.582 ( -0.000 -0.325 0.711) 0.782 14.652 ( -0.000 -0.491 -1.089) 1.194 25.309 ( 0.000 0.406 2.083) 2.122 25.454 ( 0.000 0.487 -1.789) 1.854 26.208 ( 0.000 4.695 4.821) 6.730 26.612 ( 0.000 5.849 -6.009) 8.386 27.170 ( -0.000 -2.430 2.959) 3.829 27.400 ( 0.000 1.287 -1.902) 2.296 28.442 ( -0.000 -2.862 0.668) 2.939 28.679 ( -0.000 -2.292 -4.832) 5.348 ======================= Grid point 157 (55/84) ======================= q-point: ( 0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 17.312 -0.000 15.784) 23.427 1.269 ( 14.568 -0.000 12.879) 19.445 1.839 ( 19.331 -0.000 1.605) 19.398 1.981 ( 6.843 -0.000 -9.613) 11.800 2.146 ( 11.168 -0.000 14.632) 18.407 2.508 ( -2.276 0.000 5.936) 6.357 2.617 ( -3.338 0.000 13.694) 14.095 2.912 ( -8.728 0.000 7.454) 11.478 2.946 ( -18.202 0.000 6.201) 19.230 3.301 ( -5.304 0.000 -1.602) 5.541 3.610 ( -17.932 0.000 -6.965) 19.237 3.787 ( 11.446 -0.000 -11.649) 16.331 3.910 ( 8.863 -0.000 6.767) 11.151 4.462 ( -2.668 0.000 13.049) 13.319 4.624 ( -5.638 0.000 -11.006) 12.366 4.795 ( 11.886 -0.000 7.197) 13.895 5.366 ( 1.001 -0.000 -9.919) 9.969 5.474 ( 6.101 -0.000 -9.866) 11.600 6.044 ( 0.192 -0.000 -3.313) 3.319 6.101 ( -2.538 0.000 -6.266) 6.761 6.106 ( -2.474 0.000 3.512) 4.296 6.459 ( -1.651 0.000 12.626) 12.733 6.655 ( 1.647 -0.000 -12.214) 12.325 7.468 ( -0.219 0.000 -16.114) 16.116 8.480 ( -0.715 0.000 15.085) 15.102 8.513 ( 0.479 -0.000 2.888) 2.928 8.596 ( -1.297 0.000 16.544) 16.595 8.807 ( 7.102 -0.000 -3.415) 7.880 8.993 ( 1.408 -0.000 0.920) 1.682 9.274 ( 2.212 -0.000 -6.285) 6.663 9.351 ( 2.761 -0.000 -7.945) 8.412 9.697 ( -1.010 0.000 -11.385) 11.430 9.798 ( -8.000 0.000 16.215) 18.081 9.960 ( -1.403 0.000 7.725) 7.851 10.530 ( -1.575 0.000 -10.576) 10.693 10.782 ( -7.369 0.000 -12.322) 14.358 11.241 ( -4.598 0.000 3.976) 6.078 11.281 ( -4.936 0.000 2.759) 5.655 11.558 ( -9.105 0.000 9.258) 12.985 11.614 ( -2.327 0.000 6.176) 6.600 13.033 ( 0.815 -0.000 -0.245) 0.851 13.064 ( 0.377 -0.000 -0.897) 0.973 13.680 ( -0.164 0.000 0.141) 0.216 13.720 ( -0.599 0.000 -0.987) 1.154 14.587 ( 0.016 -0.000 0.877) 0.877 14.667 ( 0.186 -0.000 -1.255) 1.268 25.298 ( -0.143 0.000 2.065) 2.070 25.440 ( -0.226 0.000 -1.719) 1.734 26.490 ( 0.404 -0.000 1.282) 1.344 26.782 ( 22.508 -0.000 -13.634) 26.315 27.275 ( 3.579 -0.000 -0.521) 3.617 27.339 ( 0.260 -0.000 -0.405) 0.481 28.467 ( -1.076 0.000 0.679) 1.273 28.681 ( -3.622 0.000 -6.285) 7.254 ======================= Grid point 158 (56/84) ======================= q-point: ( 0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 12.826 -1.290 11.811) 17.483 1.467 ( 10.831 -8.825 15.046) 20.532 1.857 ( 13.261 8.061 -5.749) 16.550 2.171 ( 7.533 -4.044 -6.285) 10.611 2.205 ( 5.551 -1.890 17.254) 18.224 2.479 ( -6.025 -0.648 5.444) 8.146 2.644 ( 3.905 -3.449 16.578) 17.377 2.723 ( -10.066 3.106 3.017) 10.958 2.986 ( -8.896 -7.794 6.795) 13.640 3.262 ( -1.887 1.265 -3.965) 4.570 3.407 ( -21.043 3.459 -8.098) 22.811 3.837 ( 12.898 4.238 -8.776) 16.166 4.003 ( 9.210 -0.909 2.896) 9.697 4.423 ( -4.008 1.774 9.494) 10.457 4.540 ( -6.777 2.460 -7.854) 10.662 4.947 ( 10.115 -6.011 6.917) 13.649 5.352 ( 1.917 1.853 -9.909) 10.262 5.519 ( 4.634 0.728 -8.865) 10.030 6.010 ( -2.347 1.870 -0.923) 3.140 6.079 ( -2.748 -1.921 0.864) 3.462 6.153 ( -2.670 -3.489 -0.578) 4.431 6.449 ( -1.423 -0.584 11.408) 11.511 6.685 ( 2.821 -1.435 -11.350) 11.783 7.406 ( -3.172 4.313 -13.706) 14.714 8.400 ( -0.403 5.103 6.774) 8.490 8.561 ( -0.896 -4.052 14.784) 15.355 8.644 ( 3.487 -1.569 7.392) 8.322 8.810 ( 6.806 4.360 -0.925) 8.136 9.046 ( 0.590 -3.817 0.968) 3.982 9.191 ( -0.343 4.059 -2.798) 4.942 9.475 ( 1.831 -4.782 -5.642) 7.619 9.719 ( -1.450 -2.236 -4.788) 5.480 9.753 ( -7.969 -2.051 6.923) 10.753 9.949 ( -1.429 -0.024 4.976) 5.177 10.528 ( 0.042 -1.011 -11.230) 11.276 10.723 ( -8.131 -0.218 -12.891) 15.243 11.169 ( -4.859 2.548 4.044) 6.816 11.230 ( -5.265 0.944 2.126) 5.756 11.422 ( -1.542 7.054 9.518) 11.947 11.609 ( -0.482 0.962 4.777) 4.896 13.030 ( 0.654 0.965 -0.255) 1.194 13.058 ( 0.547 0.907 -0.822) 1.340 13.683 ( -0.218 -0.492 0.085) 0.545 13.720 ( -0.583 -0.471 -0.904) 1.174 14.585 ( 0.011 0.251 0.833) 0.870 14.664 ( 0.148 0.424 -1.278) 1.355 25.301 ( -0.099 -0.448 2.062) 2.112 25.443 ( -0.171 -0.506 -1.711) 1.793 26.499 ( -0.442 -0.593 3.474) 3.552 26.880 ( 17.447 4.864 -10.476) 20.924 27.309 ( 3.197 0.164 -2.280) 3.931 27.339 ( -1.469 -0.186 -1.989) 2.480 28.451 ( -0.854 1.022 0.220) 1.350 28.632 ( -3.145 1.780 -5.704) 6.752 ======================= Grid point 159 (57/84) ======================= q-point: ( 0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 4.948 -4.219 5.928) 8.799 1.718 ( 6.507 -3.488 5.164) 9.010 1.795 ( 10.623 1.899 4.826) 11.822 2.136 ( -2.469 3.181 10.119) 10.890 2.271 ( -8.221 -2.070 9.574) 12.788 2.485 ( -5.863 -1.022 -4.756) 7.618 2.640 ( 0.872 -1.627 5.371) 5.679 2.841 ( 10.173 -6.963 7.443) 14.401 3.074 ( -3.940 -6.186 8.511) 11.235 3.157 ( -10.436 4.218 -6.819) 13.160 3.264 ( -3.270 0.097 -5.763) 6.627 3.839 ( 12.888 5.875 -6.075) 15.411 4.069 ( 5.041 -0.297 -2.608) 5.683 4.270 ( -9.415 7.413 -4.045) 12.647 4.513 ( -0.070 -2.075 5.320) 5.711 5.155 ( 6.716 -7.582 4.695) 11.164 5.329 ( 1.916 2.344 -9.465) 9.937 5.496 ( 0.681 4.128 -5.199) 6.673 5.968 ( -4.033 -0.566 1.606) 4.378 6.055 ( -6.380 -0.225 0.154) 6.386 6.258 ( 4.690 -6.272 3.930) 8.762 6.450 ( -3.010 -0.944 10.902) 11.349 6.755 ( 4.059 -2.713 -8.975) 10.217 7.267 ( -3.340 7.195 -10.049) 12.802 8.325 ( 0.329 1.782 2.662) 3.220 8.598 ( 5.932 9.120 -6.525) 12.686 8.646 ( -1.405 -4.820 16.453) 17.202 8.846 ( 2.547 -4.087 11.590) 12.550 9.106 ( -2.869 -1.896 1.646) 3.813 9.147 ( 0.289 0.281 0.226) 0.462 9.546 ( 1.772 -1.438 2.625) 3.478 9.706 ( -3.906 -0.800 2.345) 4.626 9.754 ( -4.164 -0.755 -2.758) 5.051 9.950 ( -1.818 -1.724 -2.970) 3.886 10.562 ( 1.204 0.154 -12.571) 12.629 10.681 ( -5.948 -3.243 -14.768) 16.248 11.098 ( -2.054 1.482 3.568) 4.376 11.183 ( -2.374 0.230 1.109) 2.631 11.276 ( 0.125 7.256 9.088) 11.631 11.565 ( 1.350 3.891 2.234) 4.685 13.008 ( 0.244 1.443 -0.062) 1.465 13.040 ( 0.638 1.356 -0.797) 1.698 13.694 ( -0.252 -0.717 0.045) 0.762 13.729 ( -0.315 -0.746 -0.904) 1.214 14.579 ( 0.020 0.346 0.776) 0.850 14.654 ( 0.053 0.611 -1.226) 1.371 25.311 ( -0.038 -0.585 2.074) 2.155 25.455 ( -0.095 -0.708 -1.721) 1.863 26.494 ( -1.724 0.436 4.920) 5.231 26.907 ( 13.560 4.628 -7.256) 16.060 27.281 ( -2.945 2.780 -1.514) 4.324 27.338 ( 0.948 -0.017 -4.410) 4.511 28.405 ( -0.781 2.852 0.510) 3.001 28.593 ( -1.628 -0.115 -4.416) 4.708 ======================= Grid point 160 (58/84) ======================= q-point: ( 0.62 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -0.075 -0.075 1.300) 1.304 1.640 ( 2.650 2.946 -3.307) 5.161 2.031 ( 1.692 2.158 19.259) 19.453 2.071 ( 7.323 -7.909 5.093) 11.922 2.254 ( -11.579 -6.093 8.839) 15.790 2.404 ( -5.892 2.701 -4.083) 7.660 2.699 ( 1.142 -0.778 4.903) 5.093 2.948 ( -0.521 0.940 1.396) 1.762 3.036 ( -0.968 0.834 -10.448) 10.526 3.237 ( 3.943 -7.164 8.282) 11.638 3.258 ( -0.156 -1.660 -2.243) 2.794 3.813 ( 11.211 6.549 -3.026) 13.332 4.008 ( -8.510 8.104 -4.877) 12.723 4.150 ( 0.316 -2.954 -8.684) 9.178 4.567 ( 1.843 -1.866 6.710) 7.204 5.270 ( 2.086 2.665 -8.248) 8.915 5.329 ( 0.401 -3.697 0.822) 3.808 5.365 ( -2.300 7.562 0.026) 7.904 5.978 ( -1.838 -2.868 1.754) 3.831 6.053 ( -2.617 -4.020 1.068) 4.914 6.371 ( 2.276 1.165 11.721) 11.997 6.485 ( -0.445 -6.325 4.073) 7.537 6.844 ( 3.748 -3.369 -4.914) 7.039 7.075 ( -3.501 9.466 -5.885) 11.683 8.337 ( 0.986 -1.384 -1.186) 2.072 8.482 ( 2.704 3.983 -5.032) 6.964 8.702 ( -1.088 -1.311 14.272) 14.373 8.946 ( 2.392 -3.232 12.848) 13.462 9.064 ( -4.439 2.507 2.184) 5.546 9.178 ( 0.088 -3.031 1.064) 3.214 9.559 ( 0.639 0.400 8.879) 8.911 9.650 ( 0.319 5.595 6.938) 8.919 9.799 ( -3.054 -7.501 -9.384) 12.396 9.989 ( -0.344 -3.236 -7.418) 8.100 10.504 ( -1.604 3.820 -12.316) 12.995 10.786 ( 0.357 -7.739 -17.533) 19.168 11.082 ( -0.165 -0.520 3.519) 3.561 11.145 ( 0.202 5.274 7.840) 9.451 11.191 ( -0.899 -1.473 0.597) 1.826 11.478 ( 1.006 5.915 -0.259) 6.005 12.984 ( 0.055 1.031 0.035) 1.033 13.018 ( 0.315 1.255 -0.756) 1.498 13.705 ( -0.168 -0.581 0.027) 0.605 13.741 ( -0.091 -0.547 -0.944) 1.094 14.573 ( 0.030 0.209 0.724) 0.755 14.643 ( 0.006 0.416 -1.146) 1.219 25.320 ( -0.048 -0.296 2.104) 2.125 25.466 ( -0.052 -0.427 -1.755) 1.807 26.454 ( -1.895 2.109 5.444) 6.138 26.909 ( 8.401 4.430 -6.676) 11.610 27.181 ( -4.817 3.417 -0.301) 5.913 27.351 ( 0.987 -0.647 -4.334) 4.491 28.350 ( -0.352 1.792 2.046) 2.742 28.603 ( -0.334 -1.340 -4.339) 4.553 ======================= Grid point 161 (59/84) ======================= q-point: (-0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 0.000 8.175 3.699) 8.973 1.715 ( -0.000 -5.583 -6.803) 8.801 1.909 ( 0.000 7.325 17.275) 18.764 2.177 ( 0.000 1.385 6.679) 6.821 2.294 ( 0.000 5.959 -4.518) 7.479 2.482 ( -0.000 -17.919 8.149) 19.684 2.663 ( 0.000 4.184 6.485) 7.718 2.894 ( 0.000 3.485 2.103) 4.071 3.057 ( -0.000 -2.524 -8.870) 9.222 3.256 ( -0.000 -0.565 -4.056) 4.096 3.429 ( -0.000 -8.343 6.636) 10.660 3.763 ( 0.000 5.153 1.309) 5.316 3.791 ( 0.000 7.378 -6.626) 9.917 4.249 ( -0.000 -6.425 -13.669) 15.104 4.597 ( -0.000 -0.265 7.150) 7.155 5.158 ( 0.000 10.775 4.755) 11.777 5.227 ( 0.000 1.547 -7.997) 8.145 5.385 ( -0.000 -0.560 -2.221) 2.291 6.040 ( -0.000 -3.745 2.441) 4.471 6.165 ( -0.000 -7.731 -0.285) 7.736 6.307 ( 0.000 5.176 10.142) 11.386 6.579 ( -0.000 -1.717 5.786) 6.035 6.849 ( 0.000 10.977 -3.058) 11.395 6.969 ( -0.000 -7.015 -3.734) 7.947 8.350 ( -0.000 -0.655 -0.894) 1.108 8.533 ( -0.000 -6.014 -2.451) 6.494 8.676 ( 0.000 2.946 10.918) 11.308 8.971 ( 0.000 3.300 -0.968) 3.439 8.990 ( 0.000 0.916 13.320) 13.352 9.241 ( -0.000 -2.054 2.448) 3.195 9.544 ( 0.000 4.448 10.583) 11.480 9.569 ( -0.000 -1.900 9.022) 9.220 9.934 ( -0.000 -6.348 -10.264) 12.068 10.070 ( -0.000 -4.725 -8.121) 9.396 10.428 ( 0.000 2.656 -11.654) 11.953 10.921 ( -0.000 -3.850 -14.852) 15.343 11.101 ( -0.000 -2.130 2.272) 3.114 11.107 ( -0.000 -1.898 3.871) 4.312 11.225 ( -0.000 -2.119 0.452) 2.166 11.368 ( 0.000 4.583 -1.011) 4.693 12.973 ( 0.000 0.112 -0.073) 0.134 13.001 ( 0.000 0.446 -0.742) 0.866 13.712 ( -0.000 -0.122 -0.005) 0.122 13.746 ( -0.000 -0.046 -0.951) 0.952 14.572 ( -0.000 -0.059 0.698) 0.701 14.639 ( 0.000 0.001 -1.091) 1.091 25.322 ( 0.000 0.110 2.123) 2.126 25.469 ( 0.000 0.091 -1.790) 1.792 26.387 ( 0.000 3.749 5.351) 6.534 26.848 ( 0.000 5.474 -7.101) 8.966 27.113 ( 0.000 0.926 2.376) 2.550 27.377 ( -0.000 -1.482 -4.010) 4.276 28.340 ( -0.000 -0.878 2.574) 2.720 28.628 ( -0.000 -1.115 -4.601) 4.734 ======================= Grid point 166 (60/84) ======================= q-point: ( 0.38 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 18.604 -0.000 16.396) 24.798 1.430 ( 6.609 -0.000 13.285) 14.838 2.064 ( 3.538 -0.000 -6.011) 6.975 2.189 ( 11.695 -0.000 12.159) 16.871 2.224 ( 9.498 -0.000 -0.622) 9.518 2.427 ( -9.581 0.000 3.940) 10.359 2.646 ( 6.786 -0.000 18.798) 19.985 2.667 ( -12.588 0.000 8.017) 14.924 2.839 ( -1.010 0.000 3.812) 3.944 3.252 ( -24.764 0.000 -8.325) 26.126 3.261 ( -0.906 0.000 -6.559) 6.621 3.997 ( 14.407 -0.000 -11.726) 18.576 4.058 ( 7.815 -0.000 4.991) 9.273 4.411 ( -3.408 0.000 14.546) 14.940 4.495 ( -10.329 0.000 -9.337) 13.923 4.956 ( 7.662 -0.000 6.113) 9.801 5.381 ( 0.765 -0.000 -9.881) 9.911 5.565 ( 4.925 -0.000 -10.711) 11.790 6.040 ( -4.556 0.000 -3.035) 5.475 6.050 ( 0.241 -0.000 -3.246) 3.255 6.065 ( -2.135 0.000 4.930) 5.372 6.433 ( -1.504 0.000 12.570) 12.660 6.685 ( 2.013 -0.000 -13.343) 13.494 7.411 ( -4.986 0.000 -13.026) 13.947 8.486 ( 1.310 -0.000 15.778) 15.832 8.536 ( 1.988 -0.000 2.215) 2.977 8.574 ( -1.546 0.000 17.432) 17.501 8.963 ( 11.400 -0.000 -7.869) 13.852 9.010 ( 0.705 -0.000 0.930) 1.167 9.262 ( -4.220 0.000 -6.224) 7.520 9.397 ( 2.858 -0.000 -7.810) 8.316 9.669 ( -2.392 0.000 -11.394) 11.643 9.682 ( -5.395 0.000 15.668) 16.571 9.950 ( -0.141 0.000 6.886) 6.887 10.507 ( -1.144 0.000 -10.449) 10.511 10.663 ( -6.705 0.000 -12.436) 14.129 11.157 ( -4.613 0.000 4.017) 6.117 11.196 ( -4.505 0.000 2.470) 5.138 11.488 ( -1.412 0.000 9.402) 9.507 11.608 ( 0.683 -0.000 6.463) 6.499 13.046 ( 0.701 -0.000 -0.396) 0.806 13.070 ( 0.326 -0.000 -0.775) 0.840 13.677 ( -0.184 0.000 0.071) 0.197 13.710 ( -0.599 0.000 -0.816) 1.013 14.588 ( 0.026 -0.000 0.833) 0.833 14.669 ( 0.151 -0.000 -1.352) 1.360 25.295 ( -0.135 0.000 2.048) 2.052 25.436 ( -0.170 0.000 -1.702) 1.710 26.495 ( 0.214 -0.000 5.249) 5.253 27.048 ( 11.264 -0.000 -13.178) 17.336 27.324 ( 2.392 -0.000 -3.038) 3.867 27.337 ( -0.534 0.000 -1.542) 1.632 28.452 ( -0.681 0.000 0.133) 0.694 28.631 ( -2.434 0.000 -6.769) 7.193 ======================= Grid point 167 (61/84) ======================= q-point: ( 0.50 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 6.374 4.221 11.309) 13.650 1.614 ( 6.855 -8.052 15.034) 18.380 2.043 ( 9.764 5.855 -3.720) 11.978 2.169 ( -3.376 1.572 18.360) 18.734 2.210 ( -8.097 5.641 3.917) 10.618 2.441 ( 2.719 -1.772 -6.584) 7.341 2.610 ( -0.675 -1.497 7.376) 7.557 2.781 ( 8.288 -7.076 12.950) 16.925 2.915 ( -0.741 -5.954 6.222) 8.644 3.071 ( -18.024 -0.701 -8.267) 19.842 3.256 ( -0.277 0.079 -7.237) 7.243 4.045 ( 11.648 4.666 -6.679) 14.214 4.109 ( 3.319 0.789 -1.062) 3.573 4.333 ( -7.028 5.466 -2.727) 9.312 4.446 ( -3.520 -3.267 7.489) 8.897 5.062 ( 3.946 -5.635 5.531) 8.827 5.375 ( 0.864 1.073 -9.976) 10.070 5.574 ( 2.048 2.454 -9.557) 10.078 5.960 ( -2.692 2.241 1.280) 3.729 6.034 ( -1.967 1.356 -2.391) 3.380 6.144 ( 0.466 -6.748 3.274) 7.515 6.426 ( -1.068 -0.183 12.354) 12.401 6.724 ( 1.663 -2.409 -12.544) 12.881 7.345 ( -2.898 3.403 -11.496) 12.335 8.409 ( 0.883 6.051 6.961) 9.266 8.545 ( -0.846 -3.677 16.181) 16.615 8.694 ( 2.043 -5.892 9.862) 11.668 8.933 ( 7.012 10.424 -9.621) 15.824 9.046 ( -0.742 -2.239 0.532) 2.418 9.166 ( -2.302 2.077 0.422) 3.129 9.479 ( -0.923 -4.710 -8.192) 9.494 9.647 ( -3.110 0.231 13.377) 13.736 9.712 ( -0.489 -4.103 -10.301) 11.099 9.938 ( -0.277 0.919 5.319) 5.405 10.533 ( 0.466 -3.161 -11.772) 12.198 10.614 ( -4.418 0.527 -12.560) 13.325 11.111 ( -1.998 1.448 3.665) 4.418 11.169 ( -2.047 0.090 1.886) 2.785 11.412 ( -0.077 6.053 9.707) 11.440 11.615 ( 0.550 0.594 5.122) 5.186 13.037 ( 0.268 1.194 -0.240) 1.247 13.066 ( 0.303 0.726 -0.823) 1.139 13.680 ( -0.130 -0.460 0.054) 0.481 13.712 ( -0.295 -0.600 -0.809) 1.049 14.585 ( 0.016 0.258 0.802) 0.843 14.665 ( 0.065 0.470 -1.336) 1.418 25.300 ( -0.058 -0.503 2.046) 2.108 25.441 ( -0.086 -0.543 -1.696) 1.782 26.494 ( -0.184 0.248 6.181) 6.189 27.078 ( 7.199 3.493 -11.083) 13.669 27.306 ( -1.947 2.100 -2.088) 3.545 27.347 ( 1.239 -0.211 -3.852) 4.051 28.441 ( -0.315 1.011 -0.182) 1.074 28.596 ( -1.277 1.551 -5.790) 6.129 ======================= Grid point 168 (62/84) ======================= q-point: ( 0.62 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -0.000 -2.015 5.702) 6.048 1.784 ( -0.000 -0.487 -0.950) 1.067 1.923 ( 0.000 2.425 12.486) 12.719 2.099 ( 0.000 1.939 10.228) 10.410 2.152 ( -0.000 -0.806 11.777) 11.805 2.427 ( 0.000 1.795 -5.096) 5.403 2.670 ( -0.000 -2.892 5.551) 6.259 2.946 ( -0.000 -1.136 0.568) 1.270 2.995 ( -0.000 -5.056 -5.858) 7.738 3.083 ( -0.000 -7.754 10.596) 13.130 3.252 ( 0.000 0.151 -6.885) 6.887 3.994 ( 0.000 6.076 -3.206) 6.870 4.107 ( 0.000 0.237 -4.423) 4.429 4.147 ( 0.000 8.310 -6.468) 10.531 4.516 ( -0.000 -3.873 8.076) 8.956 5.211 ( -0.000 -7.307 4.043) 8.351 5.344 ( 0.000 2.734 -10.029) 10.395 5.497 ( 0.000 5.953 -4.810) 7.653 5.932 ( -0.000 -0.588 1.825) 1.917 6.002 ( -0.000 -0.043 -0.235) 0.239 6.311 ( -0.000 -9.206 2.943) 9.665 6.413 ( 0.000 0.996 12.976) 13.014 6.790 ( -0.000 -3.319 -9.351) 9.923 7.232 ( 0.000 7.087 -8.978) 11.438 8.332 ( 0.000 1.644 2.664) 3.131 8.632 ( -0.000 -4.824 16.207) 16.909 8.662 ( 0.000 11.228 -9.029) 14.408 8.869 ( -0.000 -4.520 12.458) 13.253 9.072 ( -0.000 -0.448 1.930) 1.982 9.147 ( -0.000 -0.256 1.134) 1.163 9.560 ( -0.000 -2.074 0.520) 2.138 9.653 ( -0.000 -4.178 1.085) 4.317 9.738 ( 0.000 2.110 -0.599) 2.193 9.936 ( -0.000 -1.523 -2.421) 2.860 10.562 ( 0.000 2.595 -12.466) 12.734 10.640 ( -0.000 -6.732 -15.140) 16.569 11.082 ( 0.000 0.709 3.352) 3.426 11.165 ( -0.000 -0.568 0.937) 1.096 11.277 ( 0.000 7.349 9.470) 11.987 11.577 ( 0.000 3.612 2.365) 4.318 13.010 ( 0.000 1.525 0.009) 1.525 13.046 ( 0.000 1.354 -0.851) 1.600 13.691 ( -0.000 -0.701 0.063) 0.704 13.726 ( -0.000 -0.835 -0.883) 1.215 14.579 ( 0.000 0.342 0.756) 0.830 14.654 ( 0.000 0.638 -1.245) 1.399 25.311 ( -0.000 -0.594 2.067) 2.150 25.454 ( -0.000 -0.728 -1.707) 1.855 26.480 ( 0.000 1.125 6.117) 6.220 27.034 ( 0.000 4.304 -9.524) 10.451 27.234 ( 0.000 3.845 -0.977) 3.967 27.351 ( 0.000 0.096 -4.237) 4.238 28.399 ( 0.000 2.930 0.419) 2.960 28.579 ( -0.000 -0.566 -4.298) 4.336 ======================= Grid point 177 (63/84) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 0.000 -0.000 11.956) 11.956 1.524 ( 0.000 -0.000 17.402) 17.402 2.091 ( -0.000 0.000 1.073) 1.073 2.161 ( -0.000 0.000 21.414) 21.414 2.296 ( 0.000 0.000 -3.451) 3.451 2.465 ( -0.000 0.000 -7.915) 7.915 2.584 ( 0.000 0.000 8.192) 8.192 2.724 ( -0.000 0.000 20.791) 20.791 2.898 ( 0.000 -0.000 0.158) 0.158 2.922 ( -0.000 0.000 -8.187) 8.187 3.255 ( 0.000 -0.000 -7.884) 7.884 4.126 ( -0.000 0.000 2.216) 2.216 4.170 ( -0.000 0.000 -13.569) 13.569 4.357 ( 0.000 -0.000 -6.631) 6.631 4.377 ( 0.000 -0.000 16.662) 16.662 5.020 ( 0.000 -0.000 5.516) 5.516 5.387 ( -0.000 0.000 -9.819) 9.819 5.609 ( -0.000 0.000 -12.042) 12.042 5.995 ( 0.000 -0.000 -0.630) 0.630 6.040 ( 0.000 -0.000 0.277) 0.277 6.058 ( -0.000 0.000 2.109) 2.109 6.419 ( 0.000 -0.000 12.365) 12.365 6.704 ( 0.000 -0.000 -13.886) 13.886 7.364 ( 0.000 -0.000 -11.715) 11.715 8.504 ( 0.000 -0.000 16.318) 16.318 8.556 ( -0.000 0.000 2.144) 2.144 8.556 ( -0.000 0.000 17.791) 17.791 9.016 ( 0.000 -0.000 0.935) 0.935 9.119 ( 0.000 -0.000 -17.158) 17.158 9.163 ( -0.000 0.000 1.975) 1.975 9.425 ( -0.000 0.000 -7.570) 7.570 9.641 ( -0.000 0.000 14.264) 14.264 9.643 ( 0.000 -0.000 -11.760) 11.760 9.950 ( -0.000 0.000 6.761) 6.761 10.498 ( 0.000 0.000 -10.374) 10.374 10.604 ( 0.000 -0.000 -12.368) 12.368 11.119 ( 0.000 0.000 3.766) 3.766 11.159 ( -0.000 0.000 2.274) 2.274 11.480 ( 0.000 -0.000 9.460) 9.460 11.615 ( -0.000 0.000 6.602) 6.602 13.052 ( 0.000 0.000 -0.444) 0.444 13.073 ( 0.000 0.000 -0.721) 0.721 13.675 ( 0.000 -0.000 0.036) 0.036 13.705 ( -0.000 0.000 -0.754) 0.754 14.588 ( -0.000 0.000 0.816) 0.816 14.671 ( -0.000 0.000 -1.386) 1.386 25.294 ( 0.000 -0.000 2.037) 2.037 25.435 ( 0.000 -0.000 -1.698) 1.698 26.497 ( 0.000 0.000 6.725) 6.725 27.139 ( -0.000 0.000 -12.156) 12.156 27.329 ( 0.000 -0.000 -2.147) 2.147 27.344 ( -0.000 0.000 -3.979) 3.979 28.447 ( 0.000 -0.000 -0.081) 0.081 28.611 ( 0.000 -0.000 -6.988) 6.988 ======================= Grid point 207 (64/84) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 0.000 0.000 15.709) 15.709 1.158 ( 0.000 0.000 17.210) 17.210 1.405 ( 0.000 0.000 -13.186) 13.186 1.504 ( 0.000 0.000 -15.637) 15.637 2.483 ( 0.000 0.000 24.833) 24.833 2.625 ( 0.000 0.000 2.908) 2.908 2.758 ( 0.000 0.000 4.919) 4.919 3.143 ( 0.000 0.000 -23.263) 23.263 3.263 ( 0.000 0.000 4.876) 4.876 3.352 ( 0.000 0.000 -3.089) 3.089 3.813 ( 0.000 0.000 7.673) 7.673 3.833 ( 0.000 0.000 24.348) 24.348 3.954 ( 0.000 0.000 -5.775) 5.775 4.331 ( 0.000 0.000 -21.627) 21.627 4.744 ( 0.000 0.000 14.509) 14.509 4.795 ( 0.000 0.000 14.877) 14.877 5.066 ( 0.000 0.000 -15.180) 15.180 5.099 ( 0.000 0.000 -13.467) 13.467 5.974 ( 0.000 0.000 -1.429) 1.429 5.995 ( 0.000 0.000 -3.469) 3.469 6.249 ( 0.000 0.000 6.439) 6.439 6.407 ( 0.000 0.000 -8.447) 8.447 6.761 ( 0.000 0.000 13.587) 13.587 7.047 ( 0.000 0.000 -13.321) 13.321 8.640 ( 0.000 0.000 5.035) 5.035 8.733 ( 0.000 0.000 -2.473) 2.473 8.819 ( 0.000 0.000 12.485) 12.485 8.981 ( 0.000 0.000 1.759) 1.759 8.989 ( 0.000 0.000 9.584) 9.584 9.088 ( 0.000 0.000 -11.705) 11.705 9.091 ( 0.000 0.000 5.173) 5.173 9.408 ( 0.000 0.000 -16.035) 16.035 10.116 ( 0.000 0.000 10.307) 10.307 10.333 ( 0.000 0.000 14.210) 14.210 10.336 ( 0.000 0.000 -10.623) 10.623 10.634 ( 0.000 0.000 -14.040) 14.040 11.341 ( 0.000 0.000 2.071) 2.071 11.359 ( 0.000 0.000 0.555) 0.555 11.843 ( 0.000 0.000 4.200) 4.200 11.915 ( 0.000 0.000 -2.664) 2.664 13.025 ( 0.000 0.000 0.315) 0.315 13.037 ( 0.000 0.000 -0.829) 0.829 13.689 ( 0.000 0.000 0.546) 0.546 13.704 ( 0.000 0.000 -0.847) 0.847 14.611 ( 0.000 0.000 1.246) 1.246 14.638 ( 0.000 0.000 -1.313) 1.313 25.348 ( 0.000 0.000 2.454) 2.454 25.399 ( 0.000 0.000 -2.335) 2.335 26.216 ( 0.000 0.000 6.138) 6.138 26.351 ( 0.000 0.000 -6.522) 6.522 27.278 ( 0.000 0.000 3.252) 3.252 27.325 ( 0.000 0.000 -1.146) 1.146 28.540 ( 0.000 0.000 3.382) 3.382 28.634 ( 0.000 0.000 -5.455) 5.455 ======================= Grid point 208 (65/84) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 0.782 -3.740 15.035) 15.512 1.303 ( 8.300 -13.435 12.817) 20.339 1.489 ( -1.431 -4.017 -12.404) 13.117 1.592 ( 10.506 -8.133 -13.150) 18.693 2.496 ( 2.648 -0.322 24.356) 24.501 2.630 ( 0.349 -0.460 3.487) 3.534 2.767 ( -0.424 -1.047 4.138) 4.290 3.125 ( -2.249 1.038 -18.956) 19.118 3.229 ( 0.406 3.607 1.091) 3.790 3.299 ( -4.890 3.317 -2.096) 6.270 3.745 ( -7.170 3.192 7.271) 10.699 3.791 ( -2.611 3.850 15.458) 16.143 3.901 ( 0.430 3.687 0.012) 3.712 4.278 ( 0.548 5.239 -21.219) 21.863 4.782 ( -1.759 -0.822 14.180) 14.312 4.842 ( 6.535 -5.031 13.403) 15.737 5.076 ( -1.180 0.677 -13.108) 13.179 5.124 ( 4.884 -2.415 -12.712) 13.830 6.007 ( 0.389 -4.356 1.728) 4.703 6.088 ( -0.033 -7.810 -5.859) 9.764 6.248 ( -0.169 0.096 6.197) 6.200 6.397 ( 0.585 1.381 -7.625) 7.772 6.762 ( 0.198 -0.156 12.948) 12.950 7.040 ( 1.673 1.351 -13.099) 13.274 8.604 ( -3.301 2.472 5.303) 6.718 8.702 ( -4.936 2.228 -3.978) 6.720 8.873 ( 0.657 -0.172 9.962) 9.985 8.890 ( 1.144 -1.457 11.212) 11.364 8.997 ( 4.588 3.266 -2.705) 6.248 9.161 ( -1.893 -7.552 3.440) 8.512 9.203 ( 3.192 -7.651 -4.854) 9.607 9.475 ( -0.096 -5.515 -14.785) 15.781 10.094 ( -0.199 2.096 10.089) 10.307 10.312 ( -0.698 1.907 -6.745) 7.044 10.315 ( -2.325 1.126 10.210) 10.532 10.619 ( -2.312 0.513 -14.358) 14.552 11.324 ( -0.171 1.731 2.299) 2.882 11.347 ( -0.073 1.314 0.267) 1.343 11.701 ( -3.274 11.712 5.415) 13.311 11.789 ( -4.442 9.761 -3.003) 11.137 13.017 ( 0.104 0.805 0.287) 0.861 13.028 ( 0.141 0.915 -0.767) 1.203 13.693 ( -0.012 -0.377 0.512) 0.636 13.708 ( 0.017 -0.324 -0.849) 0.909 14.608 ( -0.036 0.264 1.194) 1.223 14.635 ( -0.021 0.329 -1.293) 1.335 25.351 ( 0.028 -0.276 2.463) 2.479 25.402 ( 0.031 -0.288 -2.339) 2.356 26.276 ( 7.085 -2.732 5.203) 9.206 26.397 ( 2.939 -3.157 -6.004) 7.393 27.274 ( 0.142 0.574 3.412) 3.463 27.334 ( -0.271 -0.667 -2.021) 2.146 28.521 ( -0.800 1.543 3.124) 3.575 28.609 ( -1.226 1.823 -5.125) 5.576 ======================= Grid point 209 (66/84) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 3.925 -4.318 11.364) 12.775 1.516 ( -1.240 -2.692 -9.957) 10.388 1.685 ( 8.279 -14.445 8.656) 18.765 1.888 ( 9.790 -11.186 -9.958) 17.892 2.540 ( 4.902 -1.053 23.052) 23.591 2.658 ( 0.965 -2.141 4.307) 4.906 2.785 ( -1.729 -1.352 2.379) 3.237 3.044 ( -5.770 4.467 -1.470) 7.444 3.140 ( -4.902 4.327 -7.241) 9.756 3.177 ( 2.760 6.031 -9.651) 11.711 3.601 ( -11.053 3.773 7.268) 13.756 3.648 ( -9.498 4.310 1.745) 10.575 3.873 ( 7.417 2.754 6.479) 10.226 4.159 ( 0.725 6.932 -17.799) 19.115 4.770 ( -2.501 -0.083 13.179) 13.415 5.021 ( 3.942 -3.745 1.366) 5.606 5.058 ( 4.046 -2.259 -3.392) 5.743 5.235 ( 6.454 -3.817 -8.534) 11.360 6.134 ( -1.185 -7.073 4.487) 8.459 6.236 ( -2.165 -3.919 0.022) 4.477 6.249 ( -0.576 -2.487 0.488) 2.600 6.386 ( 4.074 -1.337 -7.420) 8.569 6.768 ( -0.298 -0.169 11.661) 11.666 7.018 ( 1.247 2.276 -11.790) 12.072 8.495 ( -6.489 4.059 4.235) 8.747 8.572 ( -8.545 4.680 -2.959) 10.182 8.868 ( 7.271 1.164 6.382) 9.745 8.965 ( 6.091 0.505 -2.907) 6.768 9.057 ( 0.496 -7.086 14.675) 16.304 9.292 ( -1.364 -6.425 10.151) 12.091 9.378 ( 0.603 -7.722 -11.529) 13.889 9.578 ( -0.747 -4.658 -13.198) 14.016 10.034 ( -0.231 3.667 9.577) 10.257 10.240 ( -4.066 4.028 4.750) 7.438 10.266 ( -0.837 2.067 -1.930) 2.950 10.577 ( -4.715 1.039 -15.998) 16.710 11.266 ( -2.292 3.352 2.682) 4.866 11.300 ( -2.156 2.794 -0.425) 3.555 11.435 ( -0.656 11.364 6.319) 13.020 11.541 ( -1.478 11.160 -3.623) 11.826 12.999 ( 0.226 1.109 0.226) 1.154 13.008 ( 0.268 1.189 -0.642) 1.378 13.703 ( -0.001 -0.573 0.424) 0.713 13.716 ( 0.006 -0.495 -0.822) 0.959 14.601 ( -0.071 0.398 1.124) 1.195 14.626 ( -0.028 0.463 -1.262) 1.345 25.359 ( 0.135 -0.481 2.484) 2.534 25.411 ( 0.130 -0.507 -2.350) 2.408 26.406 ( 9.049 -3.336 3.940) 10.418 26.500 ( 3.251 -4.291 -4.732) 7.167 27.253 ( 0.277 1.683 3.469) 3.865 27.330 ( -1.315 0.695 -3.470) 3.775 28.475 ( -1.035 2.131 3.084) 3.889 28.560 ( -1.546 1.669 -4.740) 5.258 ======================= Grid point 210 (67/84) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 3.932 -3.525 6.641) 8.485 1.540 ( -1.259 -0.851 -6.620) 6.792 1.978 ( 5.387 -9.348 6.444) 12.567 2.115 ( 4.568 -5.388 -6.120) 9.346 2.607 ( 4.672 -1.634 20.985) 21.561 2.728 ( -0.803 -4.411 2.506) 5.137 2.762 ( -5.828 1.810 2.740) 6.690 2.935 ( -0.044 1.503 1.622) 2.212 2.984 ( 0.516 8.238 -1.820) 8.453 3.129 ( 2.087 2.358 -19.075) 19.333 3.460 ( -10.078 1.233 5.496) 11.545 3.504 ( -7.126 3.309 1.789) 8.058 3.893 ( 5.757 0.770 1.247) 5.940 4.040 ( -0.103 5.163 -12.019) 13.082 4.752 ( -1.599 0.139 12.502) 12.604 5.011 ( -0.250 0.924 -11.380) 11.421 5.247 ( 7.609 -6.413 5.641) 11.439 5.350 ( 4.465 -2.763 -4.032) 6.621 6.145 ( -3.396 1.332 3.196) 4.850 6.208 ( -4.465 2.231 -2.662) 5.657 6.382 ( 4.222 -8.486 7.880) 12.326 6.550 ( 3.690 -8.489 -7.424) 11.865 6.749 ( -1.547 1.611 10.151) 10.394 6.961 ( -0.223 4.135 -9.632) 10.484 8.380 ( -4.543 2.536 2.089) 5.607 8.424 ( -6.680 3.520 -2.077) 7.831 8.922 ( 6.629 -0.300 6.352) 9.186 9.004 ( 6.456 0.759 -2.468) 6.953 9.198 ( -1.083 -7.141 14.733) 16.408 9.365 ( -1.779 -1.666 11.130) 11.393 9.501 ( -0.980 -5.443 -11.675) 12.918 9.623 ( -1.054 -0.417 -10.931) 10.989 9.961 ( -0.062 3.282 9.050) 9.627 10.108 ( -5.210 4.516 10.464) 12.532 10.231 ( 1.665 1.759 -8.835) 9.161 10.505 ( -5.869 1.654 -18.960) 19.916 11.185 ( -2.055 1.771 3.054) 4.085 11.226 ( -2.126 1.796 -0.546) 2.836 11.285 ( 1.298 5.121 5.078) 7.328 11.378 ( 2.126 6.327 -3.239) 7.419 12.981 ( 0.197 0.772 0.250) 0.835 12.990 ( 0.249 0.763 -0.584) 0.993 13.713 ( 0.005 -0.426 0.341) 0.546 13.725 ( 0.001 -0.378 -0.781) 0.868 14.593 ( -0.061 0.293 1.084) 1.125 14.618 ( -0.029 0.337 -1.233) 1.279 25.369 ( 0.153 -0.392 2.509) 2.544 25.422 ( 0.147 -0.416 -2.368) 2.409 26.527 ( 6.885 -2.221 3.078) 7.862 26.592 ( 0.909 -2.953 -2.836) 4.194 27.224 ( 0.947 1.419 2.071) 2.683 27.289 ( -2.220 1.800 -3.751) 4.716 28.432 ( -0.684 1.393 3.904) 4.201 28.528 ( -0.932 0.603 -4.992) 5.114 ======================= Grid point 211 (68/84) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 0.000 -0.000 3.595) 3.595 1.536 ( -0.000 0.000 -3.767) 3.767 2.106 ( 0.000 -0.000 3.376) 3.376 2.173 ( 0.000 -0.000 -1.396) 1.396 2.657 ( 0.000 -0.000 20.997) 20.997 2.685 ( -0.000 -0.000 3.916) 3.916 2.787 ( -0.000 -0.000 -5.663) 5.663 2.877 ( 0.000 -0.000 4.972) 4.972 2.952 ( -0.000 0.000 -1.533) 1.533 3.108 ( 0.000 -0.000 -18.859) 18.859 3.408 ( 0.000 0.000 4.264) 4.264 3.436 ( -0.000 -0.000 2.574) 2.574 3.920 ( -0.000 0.000 -3.281) 3.281 3.977 ( 0.000 -0.000 -7.471) 7.471 4.744 ( 0.000 -0.000 12.339) 12.339 5.000 ( 0.000 -0.000 -11.396) 11.396 5.371 ( 0.000 -0.000 1.178) 1.178 5.379 ( -0.000 0.000 0.601) 0.601 6.110 ( 0.000 -0.000 2.607) 2.607 6.160 ( -0.000 0.000 -2.034) 2.034 6.520 ( 0.000 -0.000 8.902) 8.902 6.657 ( 0.000 -0.000 0.624) 0.624 6.720 ( -0.000 0.000 2.397) 2.397 6.891 ( -0.000 0.000 -9.105) 9.105 8.339 ( 0.000 -0.000 0.479) 0.479 8.356 ( -0.000 -0.000 -1.079) 1.079 8.955 ( 0.000 -0.000 6.532) 6.532 9.025 ( 0.000 0.000 -1.025) 1.025 9.295 ( 0.000 0.000 13.439) 13.439 9.341 ( 0.000 -0.000 9.968) 9.968 9.577 ( -0.000 0.000 -10.833) 10.833 9.591 ( -0.000 -0.000 -9.838) 9.838 9.925 ( 0.000 -0.000 8.928) 8.928 10.035 ( 0.000 -0.000 12.275) 12.275 10.222 ( -0.000 -0.000 -11.213) 11.213 10.457 ( -0.000 -0.000 -20.105) 20.105 11.177 ( -0.000 0.000 2.725) 2.725 11.193 ( 0.000 -0.000 3.345) 3.345 11.246 ( 0.000 0.000 1.222) 1.222 11.317 ( -0.000 -0.000 -3.164) 3.164 12.974 ( -0.000 -0.000 0.290) 0.290 12.984 ( -0.000 -0.000 -0.581) 0.581 13.718 ( 0.000 -0.000 0.311) 0.311 13.729 ( 0.000 -0.000 -0.765) 0.765 14.590 ( 0.000 0.000 1.069) 1.069 14.614 ( -0.000 -0.000 -1.219) 1.219 25.374 ( 0.000 -0.000 2.520) 2.520 25.427 ( 0.000 -0.000 -2.377) 2.377 26.581 ( 0.000 -0.000 2.448) 2.448 26.622 ( -0.000 -0.000 -1.376) 1.376 27.219 ( 0.000 -0.000 0.214) 0.214 27.252 ( -0.000 -0.000 -2.924) 2.924 28.415 ( 0.000 -0.000 4.416) 4.416 28.519 ( -0.000 -0.000 -5.226) 5.226 ======================= Grid point 217 (69/84) ======================= q-point: ( 0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 8.478 -0.000 15.100) 17.317 1.271 ( 13.281 -0.000 13.239) 18.753 1.479 ( 8.609 -0.000 -11.456) 14.330 1.592 ( 9.666 -0.000 -13.767) 16.821 2.523 ( 4.905 -0.000 23.263) 23.774 2.629 ( 0.438 -0.000 3.511) 3.538 2.753 ( -0.605 0.000 5.126) 5.162 3.112 ( -3.832 0.000 -15.067) 15.547 3.273 ( -8.097 0.000 2.399) 8.445 3.274 ( 0.747 -0.000 -3.354) 3.436 3.693 ( -12.576 0.000 6.371) 14.097 3.778 ( -13.018 0.000 2.179) 13.199 3.957 ( 5.856 -0.000 10.577) 12.090 4.338 ( 0.703 -0.000 -19.676) 19.689 4.790 ( -0.655 0.000 15.095) 15.109 4.830 ( 9.277 -0.000 13.077) 16.033 5.101 ( 0.219 -0.000 -13.733) 13.734 5.123 ( 6.355 -0.000 -13.939) 15.319 5.979 ( 0.622 -0.000 -1.179) 1.333 6.001 ( 0.665 -0.000 -3.317) 3.383 6.245 ( -0.626 0.000 6.759) 6.788 6.413 ( 0.458 -0.000 -9.137) 9.149 6.764 ( 0.309 -0.000 14.455) 14.458 7.077 ( 3.184 -0.000 -15.068) 15.400 8.611 ( -2.927 0.000 4.179) 5.102 8.693 ( -4.292 0.000 -3.561) 5.577 8.804 ( -0.478 0.000 13.866) 13.874 8.985 ( 0.457 -0.000 -0.413) 0.616 8.994 ( 0.295 -0.000 12.411) 12.415 9.116 ( 2.964 -0.000 -9.549) 9.999 9.138 ( 4.726 -0.000 2.417) 5.308 9.413 ( 0.526 -0.000 -15.581) 15.589 10.112 ( -0.421 0.000 10.241) 10.250 10.290 ( -5.260 0.000 14.581) 15.500 10.329 ( -0.816 0.000 -10.456) 10.488 10.597 ( -4.554 0.000 -14.197) 14.910 11.341 ( -0.420 0.000 2.131) 2.172 11.360 ( -0.479 0.000 0.507) 0.697 11.784 ( -6.306 0.000 3.400) 7.164 11.825 ( -9.655 0.000 -0.379) 9.663 13.027 ( 0.257 -0.000 0.363) 0.445 13.039 ( 0.285 -0.000 -0.827) 0.874 13.689 ( -0.086 0.000 0.547) 0.553 13.704 ( -0.068 0.000 -0.897) 0.900 14.610 ( -0.043 0.000 1.239) 1.240 14.638 ( -0.021 0.000 -1.330) 1.330 25.348 ( -0.048 0.000 2.460) 2.461 25.399 ( -0.057 0.000 -2.329) 2.330 26.337 ( 13.846 -0.000 1.768) 13.958 26.403 ( 6.064 -0.000 -3.941) 7.232 27.280 ( 0.263 -0.000 2.745) 2.757 27.325 ( -0.158 0.000 -1.259) 1.269 28.526 ( -1.638 0.000 3.018) 3.434 28.613 ( -2.493 0.000 -5.190) 5.758 ======================= Grid point 218 (70/84) ======================= q-point: ( 0.25 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 8.742 -1.830 12.623) 15.463 1.484 ( 13.086 -5.044 0.480) 14.033 1.551 ( 8.595 -4.323 0.782) 9.653 1.784 ( 12.770 -8.803 -12.130) 19.690 2.572 ( 6.042 -0.329 21.325) 22.167 2.637 ( 0.267 -0.631 4.523) 4.574 2.754 ( -1.269 -0.628 4.133) 4.369 3.056 ( -6.501 2.079 -5.223) 8.594 3.159 ( -7.446 3.387 0.735) 8.213 3.268 ( -0.341 1.409 -7.612) 7.749 3.568 ( -13.638 2.929 3.571) 14.399 3.627 ( -13.242 1.992 -1.605) 13.487 3.989 ( 7.841 2.461 9.738) 12.742 4.289 ( 0.368 5.171 -16.927) 17.703 4.764 ( -0.776 0.992 14.802) 14.856 4.975 ( 8.940 -5.398 10.279) 14.653 5.077 ( 1.236 1.422 -12.720) 12.858 5.221 ( 6.770 -3.188 -11.198) 13.468 6.016 ( 0.430 -3.923 1.527) 4.232 6.081 ( -1.115 -6.277 -4.512) 7.811 6.242 ( -0.534 -0.412 6.676) 6.710 6.409 ( 0.947 0.513 -8.880) 8.946 6.765 ( -0.098 0.012 14.076) 14.076 7.078 ( 2.220 2.138 -15.256) 15.565 8.537 ( -3.956 4.495 4.056) 7.232 8.613 ( -4.357 4.570 -3.148) 7.056 8.872 ( 0.129 -6.256 12.534) 14.009 8.939 ( 3.484 1.347 7.059) 7.987 9.076 ( 4.265 0.136 -0.174) 4.270 9.138 ( -0.964 -5.759 3.152) 6.636 9.258 ( 3.291 -5.928 -5.566) 8.773 9.471 ( -0.516 -4.819 -14.481) 15.270 10.088 ( -0.602 2.034 10.293) 10.509 10.232 ( -7.327 0.964 14.592) 16.357 10.306 ( -0.539 1.603 -10.532) 10.667 10.548 ( -6.525 0.535 -14.767) 16.154 11.306 ( -2.799 2.531 2.320) 4.430 11.329 ( -2.912 1.997 0.171) 3.535 11.627 ( -4.603 9.052 5.126) 11.376 11.693 ( -5.503 6.307 -1.139) 8.447 13.021 ( 0.442 0.812 0.321) 0.979 13.033 ( 0.438 0.911 -0.751) 1.259 13.692 ( -0.145 -0.415 0.499) 0.664 13.707 ( -0.186 -0.361 -0.876) 0.965 14.607 ( -0.052 0.279 1.204) 1.237 14.634 ( -0.002 0.333 -1.336) 1.377 25.351 ( -0.031 -0.365 2.466) 2.493 25.402 ( -0.049 -0.381 -2.323) 2.355 26.463 ( 14.327 -0.648 -0.697) 14.358 26.478 ( 7.210 -1.977 -1.704) 7.668 27.278 ( 0.251 0.601 2.131) 2.228 27.325 ( -1.007 -0.078 -1.955) 2.200 28.499 ( -1.840 1.275 2.531) 3.378 28.575 ( -2.871 1.424 -4.648) 5.646 ======================= Grid point 219 (71/84) ======================= q-point: ( 0.38 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 5.689 -2.748 8.279) 10.415 1.536 ( 3.669 0.968 -7.943) 8.803 1.840 ( 10.559 -10.570 10.036) 17.998 2.044 ( 9.159 -7.226 -9.091) 14.790 2.616 ( 2.509 -0.685 16.486) 16.689 2.655 ( -2.460 -1.246 7.348) 7.849 2.740 ( -4.124 0.590 2.090) 4.661 2.952 ( -3.902 1.465 6.316) 7.568 3.069 ( -3.071 2.297 -7.276) 8.225 3.196 ( -4.865 4.431 -14.114) 15.573 3.408 ( -10.204 0.836 8.361) 13.218 3.536 ( -0.051 2.634 -3.825) 4.645 3.984 ( 5.743 3.376 4.007) 7.773 4.162 ( -0.878 7.084 -12.406) 14.314 4.748 ( -0.179 0.222 14.192) 14.195 5.039 ( 1.273 1.309 -12.089) 12.226 5.184 ( 7.931 -6.305 6.647) 12.117 5.332 ( 5.143 -2.933 -6.689) 8.933 6.087 ( -4.640 -3.080 2.988) 6.320 6.151 ( -6.895 -2.791 -2.749) 7.930 6.292 ( 4.386 -4.621 6.709) 9.252 6.461 ( 5.269 -4.438 -8.682) 11.083 6.758 ( -1.079 0.471 12.472) 12.527 7.033 ( 0.190 3.366 -13.150) 13.576 8.408 ( -3.812 4.556 3.029) 6.668 8.473 ( -3.188 5.882 -3.201) 7.417 8.974 ( 5.631 -0.326 7.911) 9.716 9.022 ( 0.903 -8.231 9.796) 12.827 9.087 ( 3.233 1.421 2.048) 4.082 9.265 ( -2.056 -6.743 9.384) 11.737 9.379 ( -0.836 -5.303 -11.627) 12.807 9.561 ( -1.340 -4.503 -13.476) 14.272 10.025 ( -1.369 3.568 11.290) 11.919 10.134 ( -7.155 2.820 13.297) 15.361 10.275 ( 0.975 1.537 -11.346) 11.492 10.473 ( -7.886 1.050 -16.286) 18.125 11.214 ( -3.839 3.162 2.523) 5.577 11.246 ( -4.081 2.706 -0.527) 4.925 11.436 ( 0.788 8.429 6.522) 10.687 11.536 ( 0.986 7.525 -2.785) 8.084 13.004 ( 0.458 1.206 0.289) 1.322 13.015 ( 0.551 1.251 -0.655) 1.516 13.702 ( -0.169 -0.635 0.412) 0.775 13.715 ( -0.198 -0.576 -0.818) 1.020 14.600 ( -0.052 0.404 1.148) 1.218 14.626 ( -0.012 0.478 -1.309) 1.394 25.361 ( 0.038 -0.566 2.485) 2.549 25.412 ( 0.028 -0.598 -2.338) 2.413 26.556 ( 5.036 -1.253 1.229) 5.334 26.587 ( 11.006 -0.732 -2.070) 11.223 27.259 ( 0.410 1.444 0.951) 1.776 27.300 ( -2.517 1.251 -2.607) 3.834 28.455 ( -1.411 1.672 2.673) 3.454 28.530 ( -2.026 0.824 -4.303) 4.828 ======================= Grid point 220 (72/84) ======================= q-point: ( 0.50 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 1.765 -1.837 4.035) 4.772 1.534 ( 0.621 0.639 -4.275) 4.367 2.070 ( 5.760 -5.539 5.630) 9.775 2.172 ( 2.776 -1.258 -2.953) 4.243 2.613 ( -10.274 -1.846 5.303) 11.708 2.655 ( -0.122 -0.496 19.400) 19.407 2.705 ( -1.711 -2.248 -1.112) 3.036 2.950 ( -1.234 0.344 0.579) 1.406 2.977 ( -2.491 4.693 -2.407) 5.832 3.084 ( -5.812 0.449 -16.515) 17.513 3.395 ( 3.310 -1.605 8.817) 9.553 3.523 ( 9.788 2.721 -3.545) 10.760 3.954 ( 1.418 2.757 -1.835) 3.603 4.023 ( -2.233 5.120 -7.633) 9.459 4.751 ( 1.458 0.063 12.996) 13.078 5.022 ( 1.521 1.411 -12.012) 12.189 5.337 ( 3.298 -3.876 3.043) 5.929 5.388 ( 0.043 0.138 -1.750) 1.756 6.077 ( -4.613 -1.307 2.468) 5.393 6.122 ( -5.675 -1.280 -1.548) 6.020 6.467 ( 6.175 -6.980 7.615) 12.035 6.622 ( 4.884 -5.664 -5.457) 9.258 6.723 ( -1.768 1.446 9.200) 9.479 6.946 ( -1.908 4.950 -10.289) 11.576 8.332 ( -1.236 0.811 1.144) 1.869 8.371 ( -0.159 2.199 -2.399) 3.258 8.993 ( 1.817 2.470 8.279) 8.829 9.067 ( 1.356 2.579 0.224) 2.923 9.195 ( 1.124 -8.199 10.376) 13.272 9.326 ( -3.006 -1.647 12.154) 12.628 9.481 ( -1.399 -6.462 -13.250) 14.808 9.603 ( -1.295 -0.799 -11.633) 11.732 9.938 ( -3.055 2.686 12.278) 12.934 10.050 ( -1.138 1.575 12.371) 12.522 10.244 ( -0.745 2.320 -12.990) 13.217 10.421 ( -3.498 -1.662 -18.321) 18.726 11.159 ( -1.204 0.106 2.720) 2.976 11.198 ( -1.374 -0.129 -0.826) 1.608 11.303 ( 0.956 6.103 6.346) 8.856 11.411 ( 1.929 6.689 -3.602) 7.838 12.985 ( 0.279 0.956 0.338) 1.052 12.996 ( 0.418 0.998 -0.640) 1.257 13.712 ( -0.163 -0.492 0.356) 0.629 13.724 ( -0.135 -0.453 -0.786) 0.917 14.593 ( -0.017 0.270 1.091) 1.124 14.618 ( -0.014 0.330 -1.254) 1.297 25.370 ( -0.011 -0.368 2.512) 2.539 25.423 ( -0.005 -0.395 -2.366) 2.398 26.587 ( 0.567 0.529 3.787) 3.865 26.661 ( 7.209 0.779 -3.277) 7.957 27.231 ( -1.267 1.590 -0.114) 2.037 27.256 ( -0.706 0.673 -2.602) 2.779 28.421 ( -0.668 0.814 3.822) 3.964 28.514 ( -0.775 -0.187 -4.819) 4.884 ======================= Grid point 221 (73/84) ======================= q-point: (-0.38 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -2.752 2.560 5.479) 6.645 1.549 ( 1.072 -1.010 -5.887) 6.068 2.090 ( -1.449 4.635 3.841) 6.192 2.173 ( -0.336 2.540 -3.498) 4.336 2.603 ( -3.444 0.654 20.139) 20.442 2.681 ( -2.199 -7.799 7.641) 11.138 2.809 ( 1.854 -6.935 -3.483) 7.979 2.833 ( -3.441 5.014 1.674) 6.308 2.925 ( -2.209 1.499 -2.691) 3.790 3.071 ( -2.727 -1.470 -16.982) 17.262 3.495 ( 9.125 -2.832 6.491) 11.551 3.568 ( 11.912 1.832 0.105) 12.053 3.873 ( -5.460 3.074 -0.882) 6.327 3.978 ( -0.403 -1.083 -9.811) 9.878 4.767 ( 2.589 -0.048 11.714) 11.997 5.013 ( 1.447 0.531 -11.002) 11.110 5.311 ( -5.328 5.277 3.292) 8.190 5.364 ( -2.610 1.332 -1.736) 3.406 6.102 ( -0.735 -3.454 2.603) 4.387 6.151 ( -0.881 -4.312 -1.903) 4.795 6.523 ( 0.227 6.484 9.707) 11.676 6.682 ( 2.695 0.593 0.612) 2.826 6.728 ( 0.620 1.719 0.522) 1.900 6.878 ( -1.409 -3.226 -7.940) 8.685 8.353 ( 2.084 -2.728 2.070) 4.009 8.408 ( 4.907 -3.539 -2.780) 6.658 8.914 ( -4.267 3.786 6.406) 8.577 8.989 ( -3.790 3.985 -1.517) 5.705 9.294 ( 0.090 1.615 14.443) 14.534 9.350 ( 0.763 -4.118 9.428) 10.316 9.578 ( 0.074 1.001 -10.276) 10.325 9.591 ( -0.062 -3.084 -10.121) 10.581 9.906 ( -1.580 -1.478 9.785) 10.022 10.069 ( 3.250 -2.655 11.185) 11.946 10.193 ( -2.879 0.428 -10.544) 10.938 10.482 ( 2.307 -4.115 -20.656) 21.188 11.178 ( 0.121 -1.667 2.768) 3.234 11.201 ( 0.933 0.357 3.188) 3.341 11.238 ( -0.934 -0.453 1.568) 1.881 11.319 ( 0.245 2.661 -3.375) 4.305 12.975 ( 0.051 0.199 0.311) 0.373 12.985 ( 0.114 0.288 -0.622) 0.695 13.716 ( -0.121 -0.063 0.340) 0.366 13.728 ( -0.080 -0.045 -0.777) 0.783 14.590 ( 0.030 -0.036 1.055) 1.056 14.614 ( 0.010 -0.023 -1.212) 1.213 25.373 ( -0.126 0.073 2.529) 2.533 25.425 ( -0.107 0.075 -2.385) 2.389 26.543 ( -2.545 2.961 5.581) 6.811 26.662 ( 2.707 3.265 -5.389) 6.858 27.197 ( -1.679 -0.113 2.407) 2.937 27.270 ( 1.257 -1.378 -4.206) 4.601 28.416 ( 0.010 -0.530 4.467) 4.498 28.520 ( 0.098 -0.646 -5.253) 5.293 ======================= Grid point 222 (74/84) ======================= q-point: (-0.25 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -2.601 3.854 10.433) 11.422 1.564 ( 1.244 0.610 -10.691) 10.780 1.914 ( -2.366 11.740 5.798) 13.306 2.045 ( -3.108 9.135 -6.600) 11.690 2.542 ( -2.562 2.151 22.919) 23.161 2.709 ( -1.217 3.948 4.149) 5.855 2.831 ( 2.623 1.212 0.864) 3.016 2.929 ( -1.448 -10.209 3.786) 10.984 3.012 ( 3.203 -9.174 -4.628) 10.763 3.086 ( -2.125 -2.077 -17.838) 18.083 3.627 ( 5.595 -3.725 3.397) 7.531 3.637 ( 10.452 -0.572 4.861) 11.541 3.783 ( -8.040 0.165 4.419) 9.176 4.035 ( -0.458 -4.930 -16.237) 16.975 4.791 ( 2.429 -0.215 11.434) 11.691 5.028 ( 1.423 -0.850 -10.436) 10.567 5.131 ( -5.414 7.934 7.523) 12.200 5.274 ( -3.766 4.321 -5.857) 8.195 6.177 ( 0.826 -3.514 3.597) 5.096 6.251 ( 1.050 -5.086 -3.285) 6.145 6.339 ( -1.291 10.220 8.035) 13.064 6.513 ( -1.025 11.386 -7.953) 13.926 6.769 ( 0.756 -0.982 9.592) 9.672 6.961 ( -0.086 -3.654 -8.428) 9.187 8.459 ( 4.092 -4.780 4.523) 7.749 8.550 ( 7.282 -5.151 -3.808) 9.699 8.810 ( -6.170 1.867 5.497) 8.471 8.895 ( -5.518 0.936 -3.282) 6.488 9.213 ( 0.564 6.691 15.521) 16.911 9.382 ( 0.517 1.823 10.961) 11.124 9.511 ( 0.303 5.179 -10.395) 11.618 9.634 ( 0.372 0.240 -10.561) 10.570 9.958 ( -0.184 -3.943 7.960) 8.885 10.171 ( 1.840 -3.917 -4.973) 6.592 10.213 ( -0.175 -4.328 7.072) 8.293 10.575 ( 2.500 -2.555 -19.304) 19.632 11.220 ( 1.967 -2.938 3.179) 4.754 11.253 ( 0.135 -4.900 3.212) 5.861 11.267 ( -0.132 -2.964 0.909) 3.103 11.349 ( -1.250 -6.572 -3.342) 7.478 12.979 ( -0.053 -0.658 0.213) 0.694 12.988 ( -0.053 -0.603 -0.602) 0.854 13.712 ( -0.055 0.378 0.362) 0.526 13.725 ( -0.042 0.350 -0.780) 0.856 14.594 ( 0.039 -0.311 1.058) 1.103 14.618 ( 0.017 -0.345 -1.210) 1.258 25.367 ( -0.121 0.402 2.517) 2.552 25.419 ( -0.107 0.433 -2.379) 2.420 26.442 ( -3.075 4.789 6.354) 8.530 26.584 ( -0.266 5.315 -6.866) 8.687 27.213 ( -0.408 -1.995 4.501) 4.940 27.313 ( 0.825 -1.850 -4.736) 5.151 28.440 ( 0.292 -1.807 4.033) 4.430 28.540 ( 0.426 -1.174 -5.152) 5.301 ======================= Grid point 223 (75/84) ======================= q-point: (-0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 0.000 3.885 14.284) 14.803 1.548 ( 0.000 1.554 -13.873) 13.960 1.608 ( 0.000 17.692 8.377) 19.575 1.792 ( 0.000 14.227 -8.562) 16.605 2.498 ( 0.000 1.111 24.098) 24.124 2.648 ( 0.000 1.805 4.038) 4.423 2.798 ( 0.000 1.892 2.228) 2.923 3.110 ( -0.000 -1.605 -20.742) 20.804 3.118 ( -0.000 -7.613 4.536) 8.862 3.209 ( -0.000 -8.094 -3.886) 8.978 3.704 ( -0.000 -3.115 5.223) 6.081 3.735 ( -0.000 -2.356 17.851) 18.006 3.794 ( -0.000 -6.039 -3.223) 6.845 4.152 ( -0.000 -6.846 -20.510) 21.623 4.806 ( -0.000 -0.009 12.555) 12.555 4.944 ( 0.000 8.217 11.255) 13.935 5.063 ( -0.000 -1.640 -11.358) 11.476 5.168 ( 0.000 4.430 -9.596) 10.569 6.139 ( 0.000 8.932 5.298) 10.385 6.235 ( -0.000 -1.642 5.028) 5.289 6.280 ( 0.000 11.285 -7.773) 13.703 6.345 ( -0.000 -3.662 -5.203) 6.363 6.770 ( 0.000 0.572 11.281) 11.296 7.007 ( -0.000 -1.578 -10.920) 11.033 8.565 ( -0.000 -3.608 5.794) 6.825 8.677 ( -0.000 -3.550 -4.831) 5.995 8.781 ( -0.000 -2.501 6.848) 7.291 8.893 ( -0.000 -3.294 -4.518) 5.591 9.054 ( 0.000 9.175 15.887) 18.346 9.304 ( 0.000 5.853 11.768) 13.143 9.371 ( 0.000 9.180 -12.804) 15.755 9.584 ( 0.000 4.734 -13.164) 13.989 10.036 ( -0.000 -3.782 9.237) 9.982 10.251 ( -0.000 -3.955 -10.728) 11.434 10.295 ( -0.000 -2.638 13.455) 13.711 10.615 ( -0.000 -0.878 -15.737) 15.761 11.283 ( -0.000 -2.583 2.661) 3.708 11.314 ( -0.000 -2.090 -0.262) 2.106 11.445 ( -0.000 -13.539 6.475) 15.007 11.559 ( -0.000 -13.687 -4.393) 14.375 12.997 ( -0.000 -1.087 0.194) 1.104 13.006 ( -0.000 -1.160 -0.651) 1.330 13.703 ( 0.000 0.545 0.432) 0.696 13.716 ( 0.000 0.481 -0.804) 0.936 14.602 ( -0.000 -0.396 1.105) 1.174 14.627 ( -0.000 -0.462 -1.242) 1.325 25.358 ( 0.000 0.439 2.485) 2.524 25.409 ( 0.000 0.470 -2.355) 2.402 26.328 ( 0.000 4.963 6.478) 8.161 26.473 ( 0.000 5.368 -7.004) 8.825 27.251 ( -0.000 -1.764 4.446) 4.783 27.341 ( -0.000 -0.448 -3.732) 3.759 28.484 ( -0.000 -2.334 3.275) 4.022 28.573 ( -0.000 -2.016 -4.927) 5.324 ======================= Grid point 226 (76/84) ======================= q-point: ( 0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 17.166 -0.000 14.971) 22.777 1.516 ( 14.297 -0.000 11.360) 18.261 1.662 ( 15.952 -0.000 -12.497) 20.264 1.758 ( 10.245 -0.000 -11.280) 15.239 2.615 ( 4.949 -0.000 18.886) 19.524 2.630 ( -0.988 0.000 5.077) 5.173 2.740 ( -0.956 0.000 3.981) 4.094 3.022 ( -8.102 0.000 -5.418) 9.746 3.162 ( -4.302 0.000 9.849) 10.747 3.209 ( -11.233 0.000 -2.814) 11.580 3.480 ( -22.106 0.000 -2.831) 22.287 3.567 ( 1.474 -0.000 -8.285) 8.415 4.076 ( 7.232 -0.000 9.815) 12.192 4.341 ( -0.946 0.000 -14.524) 14.555 4.774 ( -1.255 0.000 15.883) 15.932 4.985 ( 9.171 -0.000 9.857) 13.464 5.107 ( 0.754 -0.000 -13.686) 13.707 5.236 ( 7.058 -0.000 -12.063) 13.976 5.992 ( 0.852 -0.000 -0.913) 1.249 6.009 ( 0.076 -0.000 -2.536) 2.537 6.228 ( -1.421 0.000 7.509) 7.643 6.416 ( -0.003 0.000 -10.287) 10.287 6.762 ( -0.784 0.000 15.887) 15.906 7.114 ( 0.574 -0.000 -17.166) 17.175 8.578 ( -0.483 0.000 3.311) 3.346 8.650 ( 0.130 -0.000 -2.943) 2.945 8.809 ( 0.787 -0.000 12.743) 12.767 8.994 ( 0.579 -0.000 -2.518) 2.584 8.998 ( 0.171 -0.000 13.878) 13.879 9.167 ( 3.248 -0.000 -8.098) 8.725 9.202 ( 2.608 -0.000 1.019) 2.800 9.418 ( -0.359 0.000 -14.559) 14.564 10.101 ( -1.307 0.000 11.006) 11.083 10.179 ( -7.850 0.000 14.300) 16.313 10.313 ( -1.119 0.000 -10.012) 10.075 10.496 ( -7.878 0.000 -14.691) 16.669 11.306 ( -4.562 0.000 1.953) 4.962 11.319 ( -5.002 0.000 0.671) 5.046 11.686 ( -5.976 0.000 3.180) 6.769 11.699 ( -3.003 0.000 1.820) 3.511 13.034 ( 0.621 -0.000 0.331) 0.703 13.046 ( 0.519 -0.000 -0.779) 0.936 13.686 ( -0.267 0.000 0.498) 0.565 13.701 ( -0.400 0.000 -0.856) 0.944 14.610 ( -0.020 0.000 1.237) 1.237 14.638 ( 0.042 -0.000 -1.397) 1.398 25.346 ( -0.160 0.000 2.453) 2.458 25.397 ( -0.187 0.000 -2.300) 2.307 26.519 ( 7.780 -0.000 1.806) 7.987 26.589 ( 16.089 -0.000 -5.492) 17.001 27.284 ( 0.132 -0.000 1.313) 1.319 27.318 ( -0.796 0.000 -1.538) 1.732 28.495 ( -2.164 0.000 2.142) 3.045 28.564 ( -3.394 0.000 -4.552) 5.678 ======================= Grid point 227 (77/84) ======================= q-point: ( 0.38 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 11.897 3.670 11.568) 16.995 1.656 ( 7.794 4.128 -7.368) 11.493 1.760 ( 17.296 -6.681 8.841) 20.542 1.985 ( 13.207 -7.769 -10.384) 18.509 2.604 ( -4.968 0.730 6.798) 8.451 2.641 ( 0.215 -0.197 17.367) 17.369 2.727 ( -2.528 0.730 0.709) 2.725 2.923 ( -9.892 0.837 5.443) 11.322 3.075 ( -3.792 1.602 -5.792) 7.106 3.173 ( -12.652 0.313 -7.404) 14.662 3.318 ( -10.151 -1.386 11.118) 15.119 3.605 ( 8.508 0.873 -12.449) 15.104 4.093 ( 4.505 3.075 5.781) 7.948 4.272 ( -3.027 5.139 -11.126) 12.623 4.756 ( -0.161 0.505 15.979) 15.988 5.071 ( 2.895 -0.018 -8.552) 9.029 5.135 ( 5.744 -3.765 2.856) 7.438 5.318 ( 5.150 -2.538 -9.708) 11.279 6.008 ( -1.567 -1.612 0.876) 2.413 6.045 ( -3.343 -2.877 -2.426) 5.033 6.243 ( 0.930 -2.756 7.457) 8.004 6.433 ( 2.200 -1.916 -10.247) 10.654 6.753 ( -1.524 0.080 15.080) 15.157 7.087 ( -1.205 2.202 -16.084) 16.279 8.503 ( -0.058 6.336 4.147) 7.573 8.597 ( 2.355 6.426 -4.873) 8.402 8.875 ( 0.074 -5.686 12.921) 14.117 8.990 ( 3.017 -1.468 5.997) 6.872 9.102 ( -0.843 -6.879 6.181) 9.287 9.149 ( 2.020 1.671 -0.559) 2.680 9.290 ( 0.348 -4.184 -7.203) 8.337 9.455 ( -1.621 -4.356 -14.462) 15.190 10.061 ( -4.524 1.919 14.334) 15.153 10.119 ( -4.311 1.023 11.178) 12.024 10.299 ( -0.288 0.579 -10.496) 10.515 10.425 ( -8.243 0.634 -15.191) 17.295 11.236 ( -5.172 2.474 2.131) 6.116 11.256 ( -5.368 1.847 0.213) 5.681 11.586 ( -0.696 6.088 5.730) 8.389 11.653 ( -0.055 3.761 -0.588) 3.807 13.030 ( 0.611 0.876 0.297) 1.109 13.041 ( 0.586 0.874 -0.722) 1.276 13.688 ( -0.294 -0.458 0.439) 0.699 13.702 ( -0.417 -0.452 -0.794) 1.005 14.607 ( -0.013 0.298 1.214) 1.250 14.635 ( 0.039 0.359 -1.408) 1.453 25.350 ( -0.121 -0.465 2.454) 2.501 25.400 ( -0.143 -0.487 -2.300) 2.355 26.581 ( 5.951 -0.349 4.395) 7.407 26.696 ( 13.080 1.011 -6.877) 14.812 27.281 ( 0.044 0.492 -0.036) 0.495 27.302 ( -1.827 0.843 -1.664) 2.611 28.469 ( -1.713 0.940 1.711) 2.597 28.528 ( -2.727 0.846 -3.956) 4.879 ======================= Grid point 228 (78/84) ======================= q-point: ( 0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 4.588 1.214 7.507) 8.881 1.610 ( 4.659 5.029 -7.568) 10.211 2.015 ( 11.881 -6.257 9.293) 16.330 2.173 ( 7.226 -2.412 -5.114) 9.175 2.506 ( -13.123 0.755 7.982) 15.378 2.640 ( -1.947 -0.244 19.575) 19.673 2.677 ( -1.535 0.233 -3.716) 4.027 2.898 ( -5.658 -2.447 0.327) 6.174 3.002 ( -10.084 2.338 -5.070) 11.527 3.052 ( -3.325 0.212 -13.152) 13.567 3.380 ( 5.339 -3.902 15.378) 16.740 3.661 ( 12.126 1.871 -10.662) 16.255 4.037 ( 0.865 4.426 0.341) 4.523 4.115 ( -5.142 6.884 -7.159) 11.184 4.762 ( 1.581 -0.364 14.808) 14.896 5.068 ( 2.141 1.517 -13.398) 13.652 5.276 ( 3.518 -5.111 5.074) 8.015 5.386 ( 1.722 -1.011 -5.212) 5.581 6.008 ( -4.503 -1.288 1.953) 5.074 6.043 ( -5.777 -1.440 -1.271) 6.088 6.369 ( 4.677 -7.325 6.960) 11.134 6.543 ( 4.706 -5.962 -8.840) 11.655 6.731 ( -2.250 0.854 13.232) 13.449 7.018 ( -1.813 3.676 -13.247) 13.866 8.382 ( 0.235 5.081 3.139) 5.977 8.469 ( 1.817 7.316 -5.184) 9.149 9.000 ( -1.292 -5.880 16.370) 17.442 9.066 ( 4.277 -2.412 5.284) 7.213 9.129 ( 1.857 1.220 -1.132) 2.494 9.226 ( -2.924 -5.975 11.560) 13.337 9.349 ( -2.535 -4.361 -13.649) 14.551 9.538 ( -1.330 -4.458 -14.286) 15.025 9.969 ( -4.721 3.060 15.677) 16.655 10.072 ( -0.865 1.623 10.787) 10.943 10.283 ( -0.535 1.800 -13.583) 13.712 10.360 ( -4.973 -0.815 -15.345) 16.151 11.162 ( -2.406 1.457 2.288) 3.626 11.191 ( -2.521 0.988 -0.470) 2.748 11.452 ( 0.963 7.588 7.128) 10.455 11.559 ( 1.462 6.398 -2.787) 7.130 13.011 ( 0.390 1.335 0.386) 1.444 13.024 ( 0.518 1.309 -0.736) 1.588 13.698 ( -0.233 -0.689 0.403) 0.831 13.711 ( -0.260 -0.697 -0.779) 1.077 14.599 ( -0.010 0.408 1.149) 1.220 14.626 ( 0.006 0.504 -1.348) 1.439 25.360 ( -0.053 -0.622 2.477) 2.554 25.412 ( -0.068 -0.666 -2.323) 2.418 26.613 ( 2.571 0.779 6.249) 6.802 26.754 ( 8.543 1.896 -7.092) 11.264 27.254 ( -2.565 2.076 -0.657) 3.365 27.267 ( 0.083 0.802 -2.060) 2.212 28.435 ( -0.987 1.253 2.375) 2.861 28.503 ( -1.284 -0.022 -3.919) 4.124 ======================= Grid point 229 (79/84) ======================= q-point: ( 0.62 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 0.126 0.984 4.000) 4.121 1.551 ( 0.981 2.134 -4.794) 5.338 2.141 ( 2.370 0.613 3.463) 4.240 2.217 ( 3.186 1.209 -2.693) 4.343 2.459 ( -7.359 -7.105 12.212) 15.930 2.613 ( -2.454 0.698 20.145) 20.306 2.728 ( 3.289 -3.607 -9.074) 10.303 2.850 ( -7.594 0.666 -0.948) 7.682 2.939 ( -1.470 0.959 -1.858) 2.555 3.042 ( -0.589 -0.243 -13.958) 13.972 3.503 ( 6.253 -3.248 12.169) 14.062 3.712 ( 11.077 2.577 -6.829) 13.265 3.920 ( -5.465 6.194 -1.534) 8.402 3.984 ( -1.773 2.369 -6.492) 7.134 4.784 ( 1.812 -0.283 12.558) 12.691 5.049 ( 1.410 1.739 -11.991) 12.199 5.355 ( -0.312 -1.259 0.938) 1.601 5.366 ( -1.705 3.135 -0.144) 3.571 6.021 ( -1.993 -3.216 2.071) 4.313 6.055 ( -2.296 -3.634 -0.911) 4.394 6.560 ( 4.749 -7.137 6.914) 11.013 6.662 ( -1.339 2.222 10.283) 10.605 6.717 ( 1.975 -5.945 -5.536) 8.360 6.906 ( -2.275 6.356 -10.064) 12.118 8.335 ( 0.749 0.250 1.330) 1.547 8.390 ( 1.455 0.842 -3.662) 4.029 8.987 ( -1.246 4.597 10.126) 11.190 9.069 ( -0.409 4.560 0.297) 4.588 9.219 ( 1.215 -7.652 6.401) 10.050 9.284 ( -1.726 -2.840 14.790) 15.159 9.463 ( -0.677 -7.653 -13.662) 15.674 9.587 ( -0.602 -1.273 -12.269) 12.349 9.894 ( -1.711 1.562 14.245) 14.432 10.054 ( 0.673 -0.309 12.844) 12.865 10.213 ( -1.888 3.137 -14.696) 15.145 10.401 ( -0.017 -4.403 -18.209) 18.733 11.147 ( -0.375 -0.898 2.528) 2.709 11.184 ( -0.420 -1.234 -0.916) 1.593 11.314 ( 0.367 6.780 7.163) 9.869 11.433 ( 0.799 7.099 -3.984) 8.180 12.989 ( 0.138 1.094 0.435) 1.185 13.001 ( 0.222 1.171 -0.737) 1.401 13.709 ( -0.117 -0.537 0.394) 0.676 13.722 ( -0.093 -0.525 -0.796) 0.957 14.592 ( 0.004 0.253 1.076) 1.105 14.617 ( -0.002 0.327 -1.260) 1.302 25.370 ( -0.047 -0.334 2.516) 2.539 25.422 ( -0.045 -0.378 -2.365) 2.395 26.590 ( 0.038 2.553 7.277) 7.712 26.752 ( 3.420 3.225 -7.912) 9.203 27.197 ( -1.636 1.490 1.925) 2.933 27.261 ( 0.383 -0.144 -3.934) 3.955 28.413 ( -0.276 0.402 3.852) 3.883 28.506 ( -0.270 -0.723 -4.744) 4.806 ======================= Grid point 230 (80/84) ======================= q-point: (-0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 0.000 3.602 7.044) 7.911 1.559 ( -0.000 -1.215 -7.801) 7.895 2.077 ( 0.000 5.946 3.961) 7.144 2.167 ( 0.000 4.555 -4.769) 6.595 2.575 ( 0.000 1.995 21.709) 21.800 2.658 ( -0.000 -13.582 8.817) 16.193 2.780 ( 0.000 3.264 3.690) 4.926 2.856 ( -0.000 -7.450 -9.823) 12.328 2.895 ( 0.000 2.692 -1.193) 2.944 3.050 ( -0.000 -0.934 -15.277) 15.305 3.587 ( -0.000 -2.849 7.723) 8.232 3.725 ( 0.000 1.907 -4.705) 5.077 3.772 ( 0.000 4.512 5.359) 7.005 3.969 ( -0.000 -1.442 -12.190) 12.275 4.797 ( -0.000 -0.209 11.060) 11.062 5.030 ( 0.000 0.614 -10.571) 10.589 5.256 ( 0.000 6.639 4.325) 7.923 5.333 ( 0.000 2.737 -2.971) 4.040 6.095 ( -0.000 -4.616 2.589) 5.292 6.142 ( -0.000 -5.697 -1.769) 5.966 6.525 ( 0.000 8.574 10.408) 13.484 6.717 ( -0.000 -5.003 7.086) 8.675 6.727 ( 0.000 10.228 -8.239) 13.134 6.862 ( -0.000 -6.302 -6.277) 8.895 8.377 ( -0.000 -4.121 3.142) 5.182 8.460 ( -0.000 -5.901 -4.134) 7.205 8.868 ( 0.000 5.843 6.426) 8.685 8.949 ( 0.000 5.963 -1.795) 6.227 9.296 ( 0.000 1.437 14.993) 15.061 9.357 ( -0.000 -4.749 9.162) 10.320 9.579 ( 0.000 1.866 -9.642) 9.821 9.590 ( -0.000 -4.780 -10.489) 11.526 9.892 ( -0.000 -2.117 10.143) 10.362 10.106 ( -0.000 -4.514 14.124) 14.828 10.159 ( 0.000 1.100 -13.475) 13.520 10.504 ( -0.000 -5.389 -21.128) 21.805 11.179 ( -0.000 -2.279 2.813) 3.621 11.219 ( 0.000 2.273 5.977) 6.394 11.220 ( -0.000 -2.373 -1.051) 2.595 11.322 ( 0.000 3.621 -3.573) 5.086 12.975 ( 0.000 0.280 0.333) 0.435 12.986 ( 0.000 0.407 -0.664) 0.778 13.715 ( -0.000 -0.088 0.368) 0.379 13.727 ( -0.000 -0.062 -0.789) 0.792 14.590 ( -0.000 -0.051 1.040) 1.041 14.615 ( -0.000 -0.033 -1.206) 1.207 25.372 ( 0.000 0.109 2.539) 2.541 25.424 ( 0.000 0.107 -2.393) 2.395 26.522 ( 0.000 4.172 7.265) 8.378 26.685 ( 0.000 4.746 -8.028) 9.326 27.182 ( -0.000 -0.620 4.126) 4.173 27.280 ( -0.000 -1.597 -4.938) 5.190 28.416 ( -0.000 -0.752 4.517) 4.579 28.521 ( -0.000 -0.910 -5.279) 5.357 ======================= Grid point 235 (81/84) ======================= q-point: ( 0.38 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 15.278 -0.000 11.581) 19.171 1.655 ( 4.624 -0.000 8.410) 9.598 1.924 ( 12.944 -0.000 -5.762) 14.168 2.001 ( 24.435 -0.000 -10.511) 26.600 2.558 ( -10.709 0.000 7.794) 13.245 2.630 ( -2.140 0.000 17.262) 17.395 2.720 ( -2.991 0.000 -2.770) 4.077 2.826 ( -13.209 0.000 5.857) 14.449 3.048 ( -17.861 0.000 -6.604) 19.043 3.060 ( -4.799 0.000 -11.669) 12.617 3.251 ( 1.521 -0.000 22.378) 22.430 3.692 ( 10.762 -0.000 -17.743) 20.752 4.155 ( 2.569 -0.000 4.927) 5.557 4.294 ( -4.798 0.000 -8.603) 9.851 4.757 ( -0.744 0.000 17.343) 17.359 5.091 ( 3.574 -0.000 -5.083) 6.214 5.134 ( 2.813 -0.000 -1.401) 3.143 5.328 ( 4.340 -0.000 -11.029) 11.852 5.998 ( -0.847 0.000 -1.081) 1.373 5.998 ( -0.555 0.000 -1.111) 1.242 6.211 ( -0.490 0.000 8.524) 8.538 6.421 ( 0.725 -0.000 -11.417) 11.440 6.740 ( -1.701 0.000 16.249) 16.337 7.093 ( -2.400 0.000 -16.655) 16.827 8.598 ( 2.443 -0.000 3.938) 4.635 8.701 ( 5.353 -0.000 -4.070) 6.725 8.821 ( 0.555 -0.000 11.728) 11.741 9.000 ( 0.165 -0.000 14.404) 14.405 9.002 ( 0.366 -0.000 -3.237) 3.257 9.208 ( -1.655 0.000 0.736) 1.811 9.218 ( 3.324 -0.000 -8.112) 8.766 9.391 ( -3.094 0.000 -14.290) 14.622 10.030 ( -6.232 0.000 16.615) 17.745 10.114 ( -0.813 0.000 8.515) 8.554 10.298 ( -0.729 0.000 -9.499) 9.527 10.371 ( -6.812 0.000 -15.062) 16.531 11.221 ( -4.827 0.000 1.794) 5.149 11.231 ( -4.777 0.000 0.717) 4.831 11.643 ( -0.537 0.000 4.975) 5.004 11.687 ( 0.538 -0.000 0.876) 1.028 13.044 ( 0.567 -0.000 0.225) 0.610 13.054 ( 0.451 -0.000 -0.687) 0.822 13.681 ( -0.289 0.000 0.398) 0.491 13.693 ( -0.434 0.000 -0.721) 0.842 14.610 ( 0.007 -0.000 1.247) 1.247 14.639 ( 0.058 -0.000 -1.476) 1.477 25.343 ( -0.154 0.000 2.439) 2.444 25.394 ( -0.163 0.000 -2.286) 2.291 26.625 ( 5.034 -0.000 7.141) 8.737 26.802 ( 10.098 -0.000 -9.954) 14.179 27.284 ( -0.109 0.000 -0.535) 0.546 27.299 ( -1.372 0.000 -1.676) 2.166 28.465 ( -1.413 0.000 1.277) 1.905 28.517 ( -2.302 0.000 -3.893) 4.523 ======================= Grid point 236 (82/84) ======================= q-point: ( 0.50 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 4.684 6.768 9.790) 12.790 1.742 ( 2.999 3.056 -4.329) 6.089 2.055 ( 18.984 -1.693 6.678) 20.195 2.211 ( 13.376 -1.432 -6.033) 14.743 2.416 ( -17.587 1.771 9.737) 20.180 2.618 ( -1.718 -0.334 18.070) 18.155 2.668 ( -3.737 0.020 -7.881) 8.722 2.785 ( -7.608 -2.768 1.826) 8.300 2.927 ( -9.557 -0.696 -3.854) 10.328 3.036 ( -1.385 -0.142 -13.026) 13.100 3.330 ( 4.113 -4.476 22.743) 23.542 3.767 ( 8.479 0.334 -17.741) 19.666 4.126 ( 0.269 3.870 1.772) 4.264 4.199 ( -4.753 5.424 -5.571) 9.113 4.759 ( 0.343 -0.637 17.086) 17.102 5.104 ( 1.321 0.656 -14.696) 14.770 5.202 ( 2.206 -4.374 6.979) 8.527 5.375 ( 1.823 -1.575 -9.046) 9.362 5.978 ( -1.573 0.631 0.664) 1.820 5.996 ( -1.966 -0.047 -1.223) 2.316 6.264 ( 1.141 -5.333 7.960) 9.649 6.468 ( 1.589 -4.066 -11.142) 11.966 6.726 ( -1.286 0.277 15.475) 15.531 7.058 ( -1.572 1.850 -15.349) 15.540 8.521 ( 1.315 7.527 5.063) 9.166 8.656 ( 3.302 8.270 -7.948) 11.936 8.872 ( -0.324 -4.894 13.713) 14.564 9.035 ( 2.536 -3.561 3.263) 5.455 9.079 ( -1.733 -6.143 10.772) 12.521 9.170 ( 0.475 1.529 0.617) 1.716 9.276 ( -1.250 -1.962 -9.073) 9.367 9.426 ( -1.420 -5.418 -15.575) 16.552 9.977 ( -3.434 1.352 16.550) 16.957 10.098 ( -0.199 1.193 8.891) 8.973 10.297 ( 0.115 -0.194 -10.965) 10.967 10.321 ( -4.050 0.586 -14.756) 15.313 11.173 ( -2.192 1.478 1.995) 3.311 11.192 ( -2.200 0.927 0.200) 2.396 11.587 ( 0.303 5.176 6.326) 8.179 11.663 ( 0.612 3.185 -0.719) 3.322 13.038 ( 0.287 0.954 0.291) 1.037 13.049 ( 0.292 0.822 -0.717) 1.129 13.684 ( -0.166 -0.482 0.377) 0.634 13.696 ( -0.226 -0.529 -0.705) 0.910 14.607 ( 0.003 0.307 1.219) 1.257 14.635 ( 0.024 0.384 -1.458) 1.507 25.348 ( -0.069 -0.519 2.442) 2.498 25.399 ( -0.077 -0.536 -2.289) 2.352 26.649 ( 2.299 0.682 8.456) 8.790 26.848 ( 5.373 1.585 -10.392) 11.806 27.270 ( -1.235 1.305 -0.826) 1.977 27.283 ( -0.139 0.625 -1.992) 2.092 28.449 ( -0.679 0.759 1.162) 1.545 28.497 ( -1.075 0.405 -3.455) 3.641 ======================= Grid point 237 (83/84) ======================= q-point: ( 0.62 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 0.000 3.264 7.486) 8.166 1.652 ( 0.000 6.292 -7.893) 10.094 2.167 ( 0.000 0.124 3.882) 3.884 2.273 ( 0.000 1.426 -5.743) 5.917 2.303 ( -0.000 -3.190 19.521) 19.780 2.611 ( 0.000 0.129 19.604) 19.605 2.697 ( -0.000 -2.122 -17.260) 17.390 2.789 ( -0.000 -2.016 4.071) 4.543 2.925 ( -0.000 -1.405 -1.994) 2.439 3.037 ( -0.000 -0.247 -13.145) 13.147 3.448 ( -0.000 -5.019 18.163) 18.844 3.796 ( 0.000 0.896 -14.076) 14.105 4.033 ( 0.000 6.344 -1.766) 6.585 4.046 ( 0.000 5.882 -2.871) 6.545 4.779 ( -0.000 -0.898 14.911) 14.938 5.089 ( 0.000 1.503 -13.860) 13.941 5.301 ( -0.000 -4.212 4.433) 6.115 5.397 ( 0.000 0.349 -4.667) 4.680 5.969 ( -0.000 -0.956 1.594) 1.859 5.994 ( -0.000 -1.307 -0.748) 1.506 6.412 ( -0.000 -8.512 6.765) 10.873 6.587 ( -0.000 -6.780 -9.473) 11.650 6.706 ( 0.000 1.414 14.371) 14.441 6.998 ( 0.000 3.742 -12.966) 13.495 8.390 ( 0.000 5.326 3.385) 6.311 8.491 ( 0.000 8.192 -6.468) 10.437 8.985 ( -0.000 -5.367 16.757) 17.595 9.112 ( -0.000 -0.959 1.733) 1.980 9.145 ( 0.000 0.546 -0.933) 1.081 9.188 ( -0.000 -5.680 16.509) 17.458 9.324 ( -0.000 -5.061 -14.735) 15.580 9.526 ( -0.000 -4.516 -14.875) 15.545 9.927 ( 0.000 2.301 16.095) 16.259 10.069 ( 0.000 1.397 10.797) 10.887 10.265 ( 0.000 2.649 -15.490) 15.715 10.331 ( -0.000 -2.498 -13.814) 14.038 11.142 ( 0.000 0.660 2.216) 2.312 11.171 ( 0.000 0.199 -0.476) 0.516 11.461 ( 0.000 7.510 7.431) 10.565 11.572 ( 0.000 6.245 -2.889) 6.881 13.015 ( 0.000 1.392 0.444) 1.461 13.028 ( 0.000 1.334 -0.791) 1.551 13.696 ( -0.000 -0.709 0.403) 0.816 13.708 ( -0.000 -0.754 -0.761) 1.071 14.599 ( 0.000 0.409 1.144) 1.215 14.626 ( 0.000 0.516 -1.362) 1.456 25.360 ( -0.000 -0.636 2.471) 2.551 25.411 ( -0.000 -0.685 -2.314) 2.414 26.634 ( 0.000 1.713 8.387) 8.560 26.827 ( 0.000 2.687 -9.789) 10.151 27.228 ( 0.000 2.162 0.696) 2.272 27.269 ( 0.000 0.727 -3.176) 3.258 28.427 ( 0.000 1.086 2.301) 2.544 28.492 ( -0.000 -0.366 -3.787) 3.805 ======================= Grid point 246 (84/84) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 0.000 -0.000 7.629) 7.629 1.766 ( 0.000 -0.000 2.863) 2.863 2.158 ( -0.000 0.000 5.040) 5.040 2.291 ( 0.000 0.000 -7.277) 7.277 2.328 ( -0.000 0.000 8.893) 8.893 2.609 ( 0.000 -0.000 -14.802) 14.802 2.611 ( -0.000 0.000 18.573) 18.573 2.731 ( 0.000 -0.000 5.099) 5.099 2.875 ( 0.000 -0.000 -1.528) 1.528 3.028 ( 0.000 -0.000 -13.493) 13.493 3.298 ( -0.000 0.000 26.046) 26.046 3.803 ( -0.000 0.000 -21.142) 21.142 4.170 ( 0.000 -0.000 2.216) 2.216 4.236 ( 0.000 -0.000 -4.426) 4.426 4.752 ( 0.000 0.000 18.217) 18.217 5.115 ( 0.000 -0.000 -15.671) 15.671 5.164 ( 0.000 -0.000 8.184) 8.184 5.364 ( -0.000 0.000 -10.819) 10.819 5.985 ( 0.000 -0.000 -0.184) 0.184 5.995 ( -0.000 0.000 -1.322) 1.322 6.209 ( 0.000 -0.000 9.003) 9.003 6.430 ( 0.000 -0.000 -11.925) 11.925 6.724 ( 0.000 -0.000 16.084) 16.084 7.069 ( 0.000 -0.000 -15.942) 15.942 8.625 ( -0.000 0.000 4.745) 4.745 8.762 ( 0.000 -0.000 -6.679) 6.679 8.822 ( -0.000 0.000 13.155) 13.155 9.002 ( -0.000 0.000 14.445) 14.445 9.005 ( 0.000 -0.000 -3.358) 3.358 9.183 ( -0.000 0.000 0.932) 0.932 9.258 ( -0.000 0.000 -6.980) 6.980 9.348 ( 0.000 -0.000 -15.902) 15.902 9.976 ( 0.000 0.000 16.540) 16.540 10.109 ( -0.000 0.000 8.208) 8.208 10.292 ( -0.000 0.000 -9.189) 9.189 10.313 ( 0.000 -0.000 -15.163) 15.163 11.180 ( 0.000 0.000 1.786) 1.786 11.191 ( 0.000 0.000 0.627) 0.627 11.642 ( 0.000 -0.000 5.437) 5.437 11.694 ( -0.000 0.000 0.653) 0.653 13.049 ( -0.000 0.000 0.174) 0.174 13.058 ( 0.000 -0.000 -0.639) 0.639 13.679 ( 0.000 -0.000 0.344) 0.344 13.689 ( -0.000 0.000 -0.657) 0.657 14.610 ( -0.000 0.000 1.253) 1.253 14.639 ( 0.000 0.000 -1.508) 1.508 25.342 ( 0.000 -0.000 2.434) 2.434 25.393 ( 0.000 -0.000 -2.284) 2.284 26.666 ( 0.000 -0.000 9.323) 9.323 26.886 ( -0.000 0.000 -11.471) 11.471 27.283 ( -0.000 0.000 -1.477) 1.477 27.285 ( 0.000 -0.000 -1.526) 1.526 28.453 ( 0.000 -0.000 0.924) 0.924 28.498 ( 0.000 -0.000 -3.607) 3.607 =================== 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 3/24192 10.0 209.884 129.210 123.719 0.000 0.000 -0.000 3/24192 20.0 55.202 38.645 50.356 0.000 0.000 -0.000 3/24192 30.0 28.650 19.841 27.532 0.000 0.000 -0.000 3/24192 40.0 19.272 12.958 18.919 0.000 0.000 -0.000 3/24192 50.0 14.533 9.510 14.476 0.000 0.000 -0.000 3/24192 60.0 11.616 7.446 11.715 0.000 0.000 -0.000 3/24192 70.0 9.616 6.072 9.813 0.000 0.000 -0.000 3/24192 80.0 8.158 5.095 8.419 0.000 0.000 -0.000 3/24192 90.0 7.055 4.370 7.358 0.000 0.000 -0.000 3/24192 100.0 6.196 3.815 6.526 0.000 0.000 -0.000 3/24192 110.0 5.513 3.379 5.861 0.000 0.000 -0.000 3/24192 120.0 4.960 3.030 5.317 0.000 0.000 -0.000 3/24192 130.0 4.505 2.745 4.867 0.000 0.000 -0.000 3/24192 140.0 4.125 2.509 4.487 0.000 0.000 -0.000 3/24192 150.0 3.804 2.311 4.164 0.000 0.000 -0.000 3/24192 160.0 3.529 2.142 3.885 0.000 0.000 -0.000 3/24192 170.0 3.291 1.996 3.642 0.000 0.000 -0.000 3/24192 180.0 3.084 1.869 3.428 0.000 0.000 -0.000 3/24192 190.0 2.902 1.758 3.239 0.000 0.000 -0.000 3/24192 200.0 2.741 1.660 3.070 0.000 0.000 -0.000 3/24192 210.0 2.597 1.573 2.919 0.000 0.000 -0.000 3/24192 220.0 2.467 1.494 2.782 0.000 0.000 -0.000 3/24192 230.0 2.351 1.423 2.658 0.000 0.000 -0.000 3/24192 240.0 2.245 1.359 2.544 0.000 0.000 -0.000 3/24192 250.0 2.149 1.301 2.441 0.000 0.000 -0.000 3/24192 260.0 2.061 1.247 2.345 0.000 0.000 -0.000 3/24192 270.0 1.980 1.198 2.257 0.000 0.000 -0.000 3/24192 280.0 1.906 1.153 2.176 0.000 0.000 -0.000 3/24192 290.0 1.837 1.111 2.100 0.000 0.000 -0.000 3/24192 300.0 1.773 1.073 2.029 0.000 0.000 -0.000 3/24192 310.0 1.714 1.037 1.964 0.000 0.000 -0.000 3/24192 320.0 1.659 1.003 1.902 0.000 0.000 -0.000 3/24192 330.0 1.607 0.971 1.844 0.000 0.000 -0.000 3/24192 340.0 1.558 0.942 1.790 0.000 0.000 -0.000 3/24192 350.0 1.513 0.914 1.739 0.000 0.000 -0.000 3/24192 360.0 1.470 0.888 1.691 0.000 0.000 -0.000 3/24192 370.0 1.430 0.864 1.645 0.000 0.000 -0.000 3/24192 380.0 1.392 0.840 1.602 0.000 0.000 -0.000 3/24192 390.0 1.356 0.818 1.562 0.000 0.000 -0.000 3/24192 400.0 1.321 0.797 1.523 0.000 0.000 -0.000 3/24192 410.0 1.289 0.778 1.486 0.000 0.000 -0.000 3/24192 420.0 1.258 0.759 1.451 0.000 0.000 -0.000 3/24192 430.0 1.229 0.741 1.417 0.000 0.000 -0.000 3/24192 440.0 1.201 0.724 1.385 0.000 0.000 -0.000 3/24192 450.0 1.174 0.708 1.355 0.000 0.000 -0.000 3/24192 460.0 1.149 0.692 1.326 0.000 0.000 -0.000 3/24192 470.0 1.125 0.677 1.298 0.000 0.000 -0.000 3/24192 480.0 1.102 0.663 1.271 0.000 0.000 -0.000 3/24192 490.0 1.079 0.650 1.246 0.000 0.000 -0.000 3/24192 500.0 1.058 0.637 1.221 0.000 0.000 -0.000 3/24192 510.0 1.038 0.624 1.197 0.000 0.000 -0.000 3/24192 520.0 1.018 0.612 1.175 0.000 0.000 -0.000 3/24192 530.0 0.999 0.601 1.153 0.000 0.000 -0.000 3/24192 540.0 0.981 0.589 1.132 0.000 0.000 -0.000 3/24192 550.0 0.963 0.579 1.111 0.000 0.000 -0.000 3/24192 560.0 0.946 0.568 1.092 0.000 0.000 -0.000 3/24192 570.0 0.930 0.558 1.073 0.000 0.000 -0.000 3/24192 580.0 0.914 0.549 1.055 0.000 0.000 -0.000 3/24192 590.0 0.899 0.540 1.037 0.000 0.000 -0.000 3/24192 600.0 0.885 0.531 1.020 0.000 0.000 -0.000 3/24192 610.0 0.870 0.522 1.004 0.000 0.000 -0.000 3/24192 620.0 0.857 0.514 0.988 0.000 0.000 -0.000 3/24192 630.0 0.843 0.505 0.972 0.000 0.000 -0.000 3/24192 640.0 0.831 0.498 0.957 0.000 0.000 -0.000 3/24192 650.0 0.818 0.490 0.943 0.000 0.000 -0.000 3/24192 660.0 0.806 0.483 0.929 0.000 0.000 -0.000 3/24192 670.0 0.794 0.475 0.915 0.000 0.000 -0.000 3/24192 680.0 0.783 0.469 0.902 0.000 0.000 -0.000 3/24192 690.0 0.772 0.462 0.889 0.000 0.000 -0.000 3/24192 700.0 0.761 0.455 0.877 0.000 0.000 -0.000 3/24192 710.0 0.751 0.449 0.864 0.000 0.000 -0.000 3/24192 720.0 0.741 0.443 0.853 0.000 0.000 -0.000 3/24192 730.0 0.731 0.437 0.841 0.000 0.000 -0.000 3/24192 740.0 0.721 0.431 0.830 0.000 0.000 -0.000 3/24192 750.0 0.712 0.425 0.819 0.000 0.000 -0.000 3/24192 760.0 0.703 0.420 0.808 0.000 0.000 -0.000 3/24192 770.0 0.694 0.414 0.798 0.000 0.000 -0.000 3/24192 780.0 0.686 0.409 0.788 0.000 0.000 -0.000 3/24192 790.0 0.677 0.404 0.778 0.000 0.000 -0.000 3/24192 800.0 0.669 0.399 0.769 0.000 0.000 -0.000 3/24192 810.0 0.661 0.394 0.759 0.000 0.000 -0.000 3/24192 820.0 0.653 0.389 0.750 0.000 0.000 -0.000 3/24192 830.0 0.646 0.385 0.741 0.000 0.000 -0.000 3/24192 840.0 0.638 0.380 0.733 0.000 0.000 -0.000 3/24192 850.0 0.631 0.376 0.724 0.000 0.000 -0.000 3/24192 860.0 0.624 0.371 0.716 0.000 0.000 -0.000 3/24192 870.0 0.617 0.367 0.708 0.000 0.000 -0.000 3/24192 880.0 0.610 0.363 0.700 0.000 0.000 -0.000 3/24192 890.0 0.604 0.359 0.692 0.000 0.000 -0.000 3/24192 900.0 0.597 0.355 0.685 0.000 0.000 -0.000 3/24192 910.0 0.591 0.351 0.677 0.000 0.000 -0.000 3/24192 920.0 0.585 0.347 0.670 0.000 0.000 -0.000 3/24192 930.0 0.579 0.344 0.663 0.000 0.000 -0.000 3/24192 940.0 0.573 0.340 0.656 0.000 0.000 -0.000 3/24192 950.0 0.567 0.337 0.649 0.000 0.000 -0.000 3/24192 960.0 0.561 0.333 0.643 0.000 0.000 -0.000 3/24192 970.0 0.556 0.330 0.636 0.000 0.000 -0.000 3/24192 980.0 0.550 0.326 0.630 0.000 0.000 -0.000 3/24192 990.0 0.545 0.323 0.624 0.000 0.000 -0.000 3/24192 1000.0 0.540 0.320 0.617 0.000 0.000 -0.000 3/24192 Thermal conductivity related properties were written into "kappa-m887.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:07:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|