----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:12:04]------------------------- 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.009234340000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.558225439999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.769040730000001 Atomic positions (fractional): *1 Al 0.86895854219730 0.08210818490653 0.59355014606957 26.982 2 Al 0.63104145780270 0.91789181509347 0.09355014606957 26.982 3 Al 0.13104145780270 0.58210818490653 0.40644985393043 26.982 4 Al 0.13104145780270 0.91789181509347 0.40644985393043 26.982 5 Al 0.36895854219730 0.41789181509347 0.90644985393043 26.982 6 Al 0.63104145780270 0.58210818490653 0.09355014606957 26.982 7 Al 0.36895854219730 0.08210818490653 0.90644985393043 26.982 8 Al 0.86895854219730 0.41789181509347 0.59355014606957 26.982 *9 Ge 0.56009335765478 0.25000000000000 0.39968250594854 72.640 10 Ge 0.43990664234522 0.75000000000000 0.60031749405146 72.640 11 Ge 0.93990664234522 0.75000000000000 0.89968250594854 72.640 12 Ge 0.06009335765478 0.25000000000000 0.10031749405146 72.640 *13 O 0.50855566411407 0.08353835826457 0.20579033402086 15.999 *14 O 0.75405698509084 0.25000000000000 0.45669837846247 15.999 15 O 0.49144433588593 0.91646164173543 0.79420966597914 15.999 *16 O 0.96528816770653 0.25000000000000 0.77861076868859 15.999 17 O 0.24594301490916 0.75000000000000 0.54330162153753 15.999 18 O 0.50855566411407 0.41646164173543 0.20579033402086 15.999 19 O 0.00855566411407 0.08353835826457 0.29420966597914 15.999 20 O 0.74594301490916 0.75000000000000 0.95669837846247 15.999 21 O 0.00855566411407 0.41646164173543 0.29420966597914 15.999 22 O 0.03471183229347 0.75000000000000 0.22138923131141 15.999 23 O 0.99144433588593 0.91646164173543 0.70579033402086 15.999 24 O 0.53471183229347 0.75000000000000 0.27861076868859 15.999 25 O 0.46528816770653 0.25000000000000 0.72138923131141 15.999 26 O 0.99144433588593 0.58353835826457 0.70579033402086 15.999 27 O 0.49144433588593 0.58353835826457 0.79420966597914 15.999 28 O 0.25405698509084 0.25000000000000 0.04330162153753 15.999 *29 F 0.25065764053446 0.94655994540153 0.10276052945254 18.998 30 F 0.25065764053446 0.55344005459847 0.10276052945254 18.998 31 F 0.75065764053446 0.55344005459847 0.39723947054746 18.998 32 F 0.24934235946554 0.05344005459847 0.60276052945254 18.998 33 F 0.74934235946554 0.05344005459847 0.89723947054746 18.998 34 F 0.75065764053446 0.94655994540153 0.39723947054746 18.998 35 F 0.24934235946554 0.44655994540153 0.60276052945254 18.998 36 F 0.74934235946554 0.44655994540153 0.89723947054746 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.009234340000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.558225439999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.769040730000001 Atomic positions (fractional): *1 Al 0.86895854219730 0.08210818490653 0.59355014606957 26.982 > 1 2 Al 0.63104145780270 0.91789181509347 0.09355014606957 26.982 > 2 3 Al 0.13104145780270 0.58210818490653 0.40644985393043 26.982 > 3 4 Al 0.13104145780270 0.91789181509347 0.40644985393043 26.982 > 4 5 Al 0.36895854219730 0.41789181509347 0.90644985393043 26.982 > 5 6 Al 0.63104145780270 0.58210818490653 0.09355014606957 26.982 > 6 7 Al 0.36895854219730 0.08210818490653 0.90644985393043 26.982 > 7 8 Al 0.86895854219730 0.41789181509347 0.59355014606957 26.982 > 8 *9 Ge 0.56009335765478 0.25000000000000 0.39968250594854 72.640 > 9 10 Ge 0.43990664234522 0.75000000000000 0.60031749405146 72.640 > 10 11 Ge 0.93990664234522 0.75000000000000 0.89968250594854 72.640 > 11 12 Ge 0.06009335765478 0.25000000000000 0.10031749405146 72.640 > 12 *13 O 0.50855566411407 0.08353835826457 0.20579033402086 15.999 > 13 *14 O 0.75405698509084 0.25000000000000 0.45669837846247 15.999 > 14 15 O 0.49144433588593 0.91646164173543 0.79420966597914 15.999 > 15 *16 O 0.96528816770653 0.25000000000000 0.77861076868859 15.999 > 16 17 O 0.24594301490916 0.75000000000000 0.54330162153753 15.999 > 17 18 O 0.50855566411407 0.41646164173543 0.20579033402086 15.999 > 18 19 O 0.00855566411407 0.08353835826457 0.29420966597914 15.999 > 19 20 O 0.74594301490916 0.75000000000000 0.95669837846247 15.999 > 20 21 O 0.00855566411407 0.41646164173543 0.29420966597914 15.999 > 21 22 O 0.03471183229347 0.75000000000000 0.22138923131141 15.999 > 22 23 O 0.99144433588593 0.91646164173543 0.70579033402086 15.999 > 23 24 O 0.53471183229347 0.75000000000000 0.27861076868859 15.999 > 24 25 O 0.46528816770653 0.25000000000000 0.72138923131141 15.999 > 25 26 O 0.99144433588593 0.58353835826457 0.70579033402086 15.999 > 26 27 O 0.49144433588593 0.58353835826457 0.79420966597914 15.999 > 27 28 O 0.25405698509084 0.25000000000000 0.04330162153753 15.999 > 28 *29 F 0.25065764053446 0.94655994540153 0.10276052945254 18.998 > 29 30 F 0.25065764053446 0.55344005459847 0.10276052945254 18.998 > 30 31 F 0.75065764053446 0.55344005459847 0.39723947054746 18.998 > 31 32 F 0.24934235946554 0.05344005459847 0.60276052945254 18.998 > 32 33 F 0.74934235946554 0.05344005459847 0.89723947054746 18.998 > 33 34 F 0.75065764053446 0.94655994540153 0.39723947054746 18.998 > 34 35 F 0.24934235946554 0.44655994540153 0.60276052945254 18.998 > 35 36 F 0.74934235946554 0.44655994540153 0.89723947054746 18.998 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.009234340000001 0.000000000000000 0.000000000000000 b 0.000000000000000 17.116450879999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.538081460000003 Atomic positions (fractional): *1 Al 0.86895854219730 0.04105409245326 0.29677507303479 26.982 > 1 2 Al 0.86895854219730 0.54105409245326 0.29677507303479 26.982 > 1 3 Al 0.86895854219730 0.04105409245326 0.79677507303479 26.982 > 1 4 Al 0.86895854219730 0.54105409245326 0.79677507303479 26.982 > 1 5 Al 0.63104145780270 0.45894590754674 0.04677507303479 26.982 > 2 6 Al 0.63104145780270 0.95894590754674 0.04677507303479 26.982 > 2 7 Al 0.63104145780270 0.45894590754674 0.54677507303479 26.982 > 2 8 Al 0.63104145780270 0.95894590754674 0.54677507303479 26.982 > 2 9 Al 0.13104145780270 0.29105409245326 0.20322492696521 26.982 > 3 10 Al 0.13104145780270 0.79105409245326 0.20322492696521 26.982 > 3 11 Al 0.13104145780270 0.29105409245326 0.70322492696521 26.982 > 3 12 Al 0.13104145780270 0.79105409245326 0.70322492696521 26.982 > 3 13 Al 0.13104145780270 0.45894590754674 0.20322492696521 26.982 > 4 14 Al 0.13104145780270 0.95894590754674 0.20322492696521 26.982 > 4 15 Al 0.13104145780270 0.45894590754674 0.70322492696521 26.982 > 4 16 Al 0.13104145780270 0.95894590754674 0.70322492696521 26.982 > 4 17 Al 0.36895854219730 0.20894590754674 0.45322492696521 26.982 > 5 18 Al 0.36895854219730 0.70894590754674 0.45322492696521 26.982 > 5 19 Al 0.36895854219730 0.20894590754674 0.95322492696521 26.982 > 5 20 Al 0.36895854219730 0.70894590754674 0.95322492696521 26.982 > 5 21 Al 0.63104145780270 0.29105409245326 0.04677507303479 26.982 > 6 22 Al 0.63104145780270 0.79105409245326 0.04677507303479 26.982 > 6 23 Al 0.63104145780270 0.29105409245326 0.54677507303479 26.982 > 6 24 Al 0.63104145780270 0.79105409245326 0.54677507303479 26.982 > 6 25 Al 0.36895854219730 0.04105409245326 0.45322492696521 26.982 > 7 26 Al 0.36895854219730 0.54105409245326 0.45322492696521 26.982 > 7 27 Al 0.36895854219730 0.04105409245326 0.95322492696521 26.982 > 7 28 Al 0.36895854219730 0.54105409245326 0.95322492696521 26.982 > 7 29 Al 0.86895854219730 0.20894590754674 0.29677507303479 26.982 > 8 30 Al 0.86895854219730 0.70894590754674 0.29677507303479 26.982 > 8 31 Al 0.86895854219730 0.20894590754674 0.79677507303479 26.982 > 8 32 Al 0.86895854219730 0.70894590754674 0.79677507303479 26.982 > 8 *33 Ge 0.56009335765478 0.12500000000000 0.19984125297427 72.640 > 9 34 Ge 0.56009335765478 0.62500000000000 0.19984125297427 72.640 > 9 35 Ge 0.56009335765478 0.12500000000000 0.69984125297427 72.640 > 9 36 Ge 0.56009335765478 0.62500000000000 0.69984125297427 72.640 > 9 37 Ge 0.43990664234522 0.37500000000000 0.30015874702573 72.640 > 10 38 Ge 0.43990664234522 0.87500000000000 0.30015874702573 72.640 > 10 39 Ge 0.43990664234522 0.37500000000000 0.80015874702573 72.640 > 10 40 Ge 0.43990664234522 0.87500000000000 0.80015874702573 72.640 > 10 41 Ge 0.93990664234522 0.37500000000000 0.44984125297427 72.640 > 11 42 Ge 0.93990664234522 0.87500000000000 0.44984125297427 72.640 > 11 43 Ge 0.93990664234522 0.37500000000000 0.94984125297427 72.640 > 11 44 Ge 0.93990664234522 0.87500000000000 0.94984125297427 72.640 > 11 45 Ge 0.06009335765478 0.12500000000000 0.05015874702573 72.640 > 12 46 Ge 0.06009335765478 0.62500000000000 0.05015874702573 72.640 > 12 47 Ge 0.06009335765478 0.12500000000000 0.55015874702573 72.640 > 12 48 Ge 0.06009335765478 0.62500000000000 0.55015874702573 72.640 > 12 *49 O 0.50855566411407 0.04176917913229 0.10289516701043 15.999 > 13 50 O 0.50855566411407 0.54176917913229 0.10289516701043 15.999 > 13 51 O 0.50855566411407 0.04176917913229 0.60289516701043 15.999 > 13 52 O 0.50855566411407 0.54176917913229 0.60289516701043 15.999 > 13 *53 O 0.75405698509084 0.12500000000000 0.22834918923123 15.999 > 14 54 O 0.75405698509084 0.62500000000000 0.22834918923123 15.999 > 14 55 O 0.75405698509084 0.12500000000000 0.72834918923123 15.999 > 14 56 O 0.75405698509084 0.62500000000000 0.72834918923123 15.999 > 14 57 O 0.49144433588593 0.45823082086771 0.39710483298957 15.999 > 15 58 O 0.49144433588593 0.95823082086771 0.39710483298957 15.999 > 15 59 O 0.49144433588593 0.45823082086771 0.89710483298957 15.999 > 15 60 O 0.49144433588593 0.95823082086771 0.89710483298957 15.999 > 15 *61 O 0.96528816770653 0.12500000000000 0.38930538434430 15.999 > 16 62 O 0.96528816770653 0.62500000000000 0.38930538434430 15.999 > 16 63 O 0.96528816770653 0.12500000000000 0.88930538434430 15.999 > 16 64 O 0.96528816770653 0.62500000000000 0.88930538434430 15.999 > 16 65 O 0.24594301490916 0.37500000000000 0.27165081076877 15.999 > 17 66 O 0.24594301490916 0.87500000000000 0.27165081076877 15.999 > 17 67 O 0.24594301490916 0.37500000000000 0.77165081076877 15.999 > 17 68 O 0.24594301490916 0.87500000000000 0.77165081076877 15.999 > 17 69 O 0.50855566411407 0.20823082086771 0.10289516701043 15.999 > 18 70 O 0.50855566411407 0.70823082086771 0.10289516701043 15.999 > 18 71 O 0.50855566411407 0.20823082086771 0.60289516701043 15.999 > 18 72 O 0.50855566411407 0.70823082086771 0.60289516701043 15.999 > 18 73 O 0.00855566411407 0.04176917913229 0.14710483298957 15.999 > 19 74 O 0.00855566411407 0.54176917913229 0.14710483298957 15.999 > 19 75 O 0.00855566411407 0.04176917913229 0.64710483298957 15.999 > 19 76 O 0.00855566411407 0.54176917913229 0.64710483298957 15.999 > 19 77 O 0.74594301490916 0.37500000000000 0.47834918923123 15.999 > 20 78 O 0.74594301490916 0.87500000000000 0.47834918923123 15.999 > 20 79 O 0.74594301490916 0.37500000000000 0.97834918923123 15.999 > 20 80 O 0.74594301490916 0.87500000000000 0.97834918923123 15.999 > 20 81 O 0.00855566411407 0.20823082086771 0.14710483298957 15.999 > 21 82 O 0.00855566411407 0.70823082086771 0.14710483298957 15.999 > 21 83 O 0.00855566411407 0.20823082086771 0.64710483298957 15.999 > 21 84 O 0.00855566411407 0.70823082086771 0.64710483298957 15.999 > 21 85 O 0.03471183229347 0.37500000000000 0.11069461565570 15.999 > 22 86 O 0.03471183229347 0.87500000000000 0.11069461565570 15.999 > 22 87 O 0.03471183229347 0.37500000000000 0.61069461565570 15.999 > 22 88 O 0.03471183229347 0.87500000000000 0.61069461565570 15.999 > 22 89 O 0.99144433588593 0.45823082086771 0.35289516701043 15.999 > 23 90 O 0.99144433588593 0.95823082086771 0.35289516701043 15.999 > 23 91 O 0.99144433588593 0.45823082086771 0.85289516701043 15.999 > 23 92 O 0.99144433588593 0.95823082086771 0.85289516701043 15.999 > 23 93 O 0.53471183229347 0.37500000000000 0.13930538434430 15.999 > 24 94 O 0.53471183229347 0.87500000000000 0.13930538434430 15.999 > 24 95 O 0.53471183229347 0.37500000000000 0.63930538434430 15.999 > 24 96 O 0.53471183229347 0.87500000000000 0.63930538434430 15.999 > 24 97 O 0.46528816770653 0.12500000000000 0.36069461565570 15.999 > 25 98 O 0.46528816770653 0.62500000000000 0.36069461565570 15.999 > 25 99 O 0.46528816770653 0.12500000000000 0.86069461565570 15.999 > 25 100 O 0.46528816770653 0.62500000000000 0.86069461565570 15.999 > 25 101 O 0.99144433588593 0.29176917913229 0.35289516701043 15.999 > 26 102 O 0.99144433588593 0.79176917913229 0.35289516701043 15.999 > 26 103 O 0.99144433588593 0.29176917913229 0.85289516701043 15.999 > 26 104 O 0.99144433588593 0.79176917913229 0.85289516701043 15.999 > 26 105 O 0.49144433588593 0.29176917913229 0.39710483298957 15.999 > 27 106 O 0.49144433588593 0.79176917913229 0.39710483298957 15.999 > 27 107 O 0.49144433588593 0.29176917913229 0.89710483298957 15.999 > 27 108 O 0.49144433588593 0.79176917913229 0.89710483298957 15.999 > 27 109 O 0.25405698509084 0.12500000000000 0.02165081076877 15.999 > 28 110 O 0.25405698509084 0.62500000000000 0.02165081076877 15.999 > 28 111 O 0.25405698509084 0.12500000000000 0.52165081076877 15.999 > 28 112 O 0.25405698509084 0.62500000000000 0.52165081076877 15.999 > 28 *113 F 0.25065764053446 0.47327997270076 0.05138026472627 18.998 > 29 114 F 0.25065764053446 0.97327997270076 0.05138026472627 18.998 > 29 115 F 0.25065764053446 0.47327997270076 0.55138026472627 18.998 > 29 116 F 0.25065764053446 0.97327997270076 0.55138026472627 18.998 > 29 117 F 0.25065764053446 0.27672002729924 0.05138026472627 18.998 > 30 118 F 0.25065764053446 0.77672002729924 0.05138026472627 18.998 > 30 119 F 0.25065764053446 0.27672002729924 0.55138026472627 18.998 > 30 120 F 0.25065764053446 0.77672002729924 0.55138026472627 18.998 > 30 121 F 0.75065764053446 0.27672002729924 0.19861973527373 18.998 > 31 122 F 0.75065764053446 0.77672002729924 0.19861973527373 18.998 > 31 123 F 0.75065764053446 0.27672002729924 0.69861973527373 18.998 > 31 124 F 0.75065764053446 0.77672002729924 0.69861973527373 18.998 > 31 125 F 0.24934235946554 0.02672002729924 0.30138026472627 18.998 > 32 126 F 0.24934235946554 0.52672002729924 0.30138026472627 18.998 > 32 127 F 0.24934235946554 0.02672002729924 0.80138026472627 18.998 > 32 128 F 0.24934235946554 0.52672002729924 0.80138026472627 18.998 > 32 129 F 0.74934235946554 0.02672002729924 0.44861973527373 18.998 > 33 130 F 0.74934235946554 0.52672002729924 0.44861973527373 18.998 > 33 131 F 0.74934235946554 0.02672002729924 0.94861973527373 18.998 > 33 132 F 0.74934235946554 0.52672002729924 0.94861973527373 18.998 > 33 133 F 0.75065764053446 0.47327997270076 0.19861973527373 18.998 > 34 134 F 0.75065764053446 0.97327997270076 0.19861973527373 18.998 > 34 135 F 0.75065764053446 0.47327997270076 0.69861973527373 18.998 > 34 136 F 0.75065764053446 0.97327997270076 0.69861973527373 18.998 > 34 137 F 0.24934235946554 0.22327997270076 0.30138026472627 18.998 > 35 138 F 0.24934235946554 0.72327997270076 0.30138026472627 18.998 > 35 139 F 0.24934235946554 0.22327997270076 0.80138026472627 18.998 > 35 140 F 0.24934235946554 0.72327997270076 0.80138026472627 18.998 > 35 141 F 0.74934235946554 0.22327997270076 0.44861973527373 18.998 > 36 142 F 0.74934235946554 0.72327997270076 0.44861973527373 18.998 > 36 143 F 0.74934235946554 0.22327997270076 0.94861973527373 18.998 > 36 144 F 0.74934235946554 0.72327997270076 0.94861973527373 18.998 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9197932 0.0000000 0.0000000 0.0000000 2.9146266 0.0000000 0.0000000 0.0000000 2.9307167 -------------------------- Born effective charges -------------------------- 1 Al 3.0578606 -0.1527230 0.0273431 -0.0528358 3.1329505 -0.2494849 0.1010468 0.1830006 2.9897701 2 Al 3.0578606 -0.1527230 -0.0273431 -0.0528358 3.1329505 0.2494849 -0.1010468 -0.1830006 2.9897701 3 Al 3.0578606 0.1527230 0.0273431 0.0528358 3.1329505 0.2494849 0.1010468 -0.1830006 2.9897701 4 Al 3.0578606 -0.1527230 0.0273431 -0.0528358 3.1329505 -0.2494849 0.1010468 0.1830006 2.9897701 5 Al 3.0578606 0.1527230 -0.0273431 0.0528358 3.1329505 -0.2494849 -0.1010468 0.1830006 2.9897701 6 Al 3.0578606 0.1527230 -0.0273431 0.0528358 3.1329505 -0.2494849 -0.1010468 0.1830006 2.9897701 7 Al 3.0578606 -0.1527230 -0.0273431 -0.0528358 3.1329505 0.2494849 -0.1010468 -0.1830006 2.9897701 8 Al 3.0578606 0.1527230 0.0273431 0.0528358 3.1329505 0.2494849 0.1010468 -0.1830006 2.9897701 9 Ge 3.3620524 0.0000000 -0.0171594 0.0000000 3.2490043 0.0000000 0.1144079 0.0000000 3.3450335 10 Ge 3.3620524 0.0000000 -0.0171594 0.0000000 3.2490043 0.0000000 0.1144079 0.0000000 3.3450335 11 Ge 3.3620524 0.0000000 0.0171594 0.0000000 3.2490043 0.0000000 -0.1144079 0.0000000 3.3450335 12 Ge 3.3620524 0.0000000 0.0171594 0.0000000 3.2490043 0.0000000 -0.1144079 0.0000000 3.3450335 13 O -1.5305829 0.0892193 -0.3046666 0.0764056 -2.0527011 -0.5262282 -0.3153741 -0.4185146 -1.8048194 14 O -2.4755236 0.0000000 -0.4087671 0.0000000 -1.5989454 0.0000000 -0.4143262 0.0000000 -1.2585070 15 O -1.5305829 0.0892193 -0.3046666 0.0764056 -2.0527011 -0.5262282 -0.3153741 -0.4185146 -1.8048194 16 O -1.5700931 0.0000000 -0.6605662 0.0000000 -1.7556579 0.0000000 -0.6828856 0.0000000 -2.1433672 17 O -2.4755236 0.0000000 -0.4087671 0.0000000 -1.5989454 0.0000000 -0.4143262 0.0000000 -1.2585070 18 O -1.5305829 -0.0892193 -0.3046666 -0.0764056 -2.0527011 0.5262282 -0.3153741 0.4185146 -1.8048194 19 O -1.5305829 0.0892193 0.3046666 0.0764056 -2.0527011 0.5262282 0.3153741 0.4185146 -1.8048194 20 O -2.4755236 0.0000000 0.4087671 0.0000000 -1.5989454 0.0000000 0.4143262 0.0000000 -1.2585070 21 O -1.5305829 -0.0892193 0.3046666 -0.0764056 -2.0527011 -0.5262282 0.3153741 -0.4185146 -1.8048194 22 O -1.5700931 0.0000000 -0.6605662 0.0000000 -1.7556579 0.0000000 -0.6828856 0.0000000 -2.1433672 23 O -1.5305829 0.0892193 0.3046666 0.0764056 -2.0527011 0.5262282 0.3153741 0.4185146 -1.8048194 24 O -1.5700931 0.0000000 0.6605662 0.0000000 -1.7556579 0.0000000 0.6828856 0.0000000 -2.1433672 25 O -1.5700931 0.0000000 0.6605662 0.0000000 -1.7556579 0.0000000 0.6828856 0.0000000 -2.1433672 26 O -1.5305829 -0.0892193 0.3046666 -0.0764056 -2.0527011 -0.5262282 0.3153741 -0.4185146 -1.8048194 27 O -1.5305829 -0.0892193 -0.3046666 -0.0764056 -2.0527011 0.5262282 -0.3153741 0.4185146 -1.8048194 28 O -2.4755236 0.0000000 0.4087671 0.0000000 -1.5989454 0.0000000 0.4143262 0.0000000 -1.2585070 29 F -1.1854956 -0.1450509 0.3410615 -0.1694110 -1.0274500 0.1963492 0.3199723 0.1864009 -1.1565303 30 F -1.1854956 0.1450509 0.3410615 0.1694110 -1.0274500 -0.1963492 0.3199723 -0.1864009 -1.1565303 31 F -1.1854956 0.1450509 -0.3410615 0.1694110 -1.0274500 0.1963492 -0.3199723 0.1864009 -1.1565303 32 F -1.1854956 -0.1450509 -0.3410615 -0.1694110 -1.0274500 -0.1963492 -0.3199723 -0.1864009 -1.1565303 33 F -1.1854956 -0.1450509 0.3410615 -0.1694110 -1.0274500 0.1963492 0.3199723 0.1864009 -1.1565303 34 F -1.1854956 -0.1450509 -0.3410615 -0.1694110 -1.0274500 -0.1963492 -0.3199723 -0.1864009 -1.1565303 35 F -1.1854956 0.1450509 -0.3410615 0.1694110 -1.0274500 0.1963492 -0.3199723 0.1864009 -1.1565303 36 F -1.1854956 0.1450509 0.3410615 0.1694110 -1.0274500 -0.1963492 0.3199723 -0.1864009 -1.1565303 ---------------------------------------------------------------------------- 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: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3069 Number of blocks in projector: 3069 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: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 684 / 684 (1) 174 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 612 / 612 (1) 108 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 612 / 612 (1) 108 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 387 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 387 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 387 Use standard eigh solver. Tree of FC basis block matrices: - (3069, 3027), data: False |-- (387, 381), data: True |-- (387, 381), data: True |-- (387, 381), data: True |-- (612, 606), data: False |-- (612, 4), data: (612, 10) @ (10, 4) |-- (112, 108), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (612, 606), data: False |-- (612, 4), data: (612, 10) @ (10, 4) |-- (112, 108), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (684, 672), data: False |-- (684, 10), data: (684, 22) @ (22, 10) |-- (184, 174), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 1.030 Solver_block: 200 / 560 - Time: 0.954 Solver_block: 300 / 560 - Time: 0.971 Solver_block: 400 / 560 - Time: 0.966 Solver_block: 500 / 560 - Time: 0.949 Solver_block: 560 / 560 - Time: 0.648 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.658 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xz) -0.00000000 (xz) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3069 Number of blocks in projector: 3069 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: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 684 / 684 (1) 174 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 612 / 612 (1) 108 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 612 / 612 (1) 108 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 387 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 387 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 387 Use standard eigh solver. Tree of FC basis block matrices: - (3069, 3027), data: False |-- (387, 381), data: True |-- (387, 381), data: True |-- (387, 381), data: True |-- (612, 606), data: False |-- (612, 4), data: (612, 10) @ (10, 4) |-- (112, 108), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (612, 606), data: False |-- (612, 4), data: (612, 10) @ (10, 4) |-- (112, 108), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (684, 672), data: False |-- (684, 10), data: (684, 22) @ (22, 10) |-- (184, 174), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xz) 0.00000000 (xz) 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 17:12:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:12:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.009234340000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.558225439999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.769040730000001 Atomic positions (fractional): 1 Al 0.86895854219730 0.08210818490653 0.59355014606957 26.982 2 Al 0.63104145780270 0.91789181509347 0.09355014606957 26.982 3 Al 0.13104145780270 0.58210818490653 0.40644985393043 26.982 4 Al 0.13104145780270 0.91789181509347 0.40644985393043 26.982 5 Al 0.36895854219730 0.41789181509347 0.90644985393043 26.982 6 Al 0.63104145780270 0.58210818490653 0.09355014606957 26.982 7 Al 0.36895854219730 0.08210818490653 0.90644985393043 26.982 8 Al 0.86895854219730 0.41789181509347 0.59355014606957 26.982 9 Ge 0.56009335765478 0.25000000000000 0.39968250594854 72.640 10 Ge 0.43990664234522 0.75000000000000 0.60031749405146 72.640 11 Ge 0.93990664234522 0.75000000000000 0.89968250594854 72.640 12 Ge 0.06009335765478 0.25000000000000 0.10031749405146 72.640 13 O 0.50855566411407 0.08353835826457 0.20579033402086 15.999 14 O 0.75405698509084 0.25000000000000 0.45669837846247 15.999 15 O 0.49144433588593 0.91646164173543 0.79420966597914 15.999 16 O 0.96528816770653 0.25000000000000 0.77861076868859 15.999 17 O 0.24594301490916 0.75000000000000 0.54330162153753 15.999 18 O 0.50855566411407 0.41646164173543 0.20579033402086 15.999 19 O 0.00855566411407 0.08353835826457 0.29420966597914 15.999 20 O 0.74594301490916 0.75000000000000 0.95669837846247 15.999 21 O 0.00855566411407 0.41646164173543 0.29420966597914 15.999 22 O 0.03471183229347 0.75000000000000 0.22138923131141 15.999 23 O 0.99144433588593 0.91646164173543 0.70579033402086 15.999 24 O 0.53471183229347 0.75000000000000 0.27861076868859 15.999 25 O 0.46528816770653 0.25000000000000 0.72138923131141 15.999 26 O 0.99144433588593 0.58353835826457 0.70579033402086 15.999 27 O 0.49144433588593 0.58353835826457 0.79420966597914 15.999 28 O 0.25405698509084 0.25000000000000 0.04330162153753 15.999 29 F 0.25065764053446 0.94655994540153 0.10276052945254 18.998 30 F 0.25065764053446 0.55344005459847 0.10276052945254 18.998 31 F 0.75065764053446 0.55344005459847 0.39723947054746 18.998 32 F 0.24934235946554 0.05344005459847 0.60276052945254 18.998 33 F 0.74934235946554 0.05344005459847 0.89723947054746 18.998 34 F 0.75065764053446 0.94655994540153 0.39723947054746 18.998 35 F 0.24934235946554 0.44655994540153 0.60276052945254 18.998 36 F 0.74934235946554 0.44655994540153 0.89723947054746 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.009234340000001 0.000000000000000 0.000000000000000 b 0.000000000000000 17.116450879999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.538081460000003 Atomic positions (fractional): 1 Al 0.86895854219730 0.04105409245326 0.29677507303479 26.982 > 1 2 Al 0.86895854219730 0.54105409245326 0.29677507303479 26.982 > 1 3 Al 0.86895854219730 0.04105409245326 0.79677507303479 26.982 > 1 4 Al 0.86895854219730 0.54105409245326 0.79677507303479 26.982 > 1 5 Al 0.63104145780270 0.45894590754674 0.04677507303479 26.982 > 5 6 Al 0.63104145780270 0.95894590754674 0.04677507303479 26.982 > 5 7 Al 0.63104145780270 0.45894590754674 0.54677507303479 26.982 > 5 8 Al 0.63104145780270 0.95894590754674 0.54677507303479 26.982 > 5 9 Al 0.13104145780270 0.29105409245326 0.20322492696521 26.982 > 9 10 Al 0.13104145780270 0.79105409245326 0.20322492696521 26.982 > 9 11 Al 0.13104145780270 0.29105409245326 0.70322492696521 26.982 > 9 12 Al 0.13104145780270 0.79105409245326 0.70322492696521 26.982 > 9 13 Al 0.13104145780270 0.45894590754674 0.20322492696521 26.982 > 13 14 Al 0.13104145780270 0.95894590754674 0.20322492696521 26.982 > 13 15 Al 0.13104145780270 0.45894590754674 0.70322492696521 26.982 > 13 16 Al 0.13104145780270 0.95894590754674 0.70322492696521 26.982 > 13 17 Al 0.36895854219730 0.20894590754674 0.45322492696521 26.982 > 17 18 Al 0.36895854219730 0.70894590754674 0.45322492696521 26.982 > 17 19 Al 0.36895854219730 0.20894590754674 0.95322492696521 26.982 > 17 20 Al 0.36895854219730 0.70894590754674 0.95322492696521 26.982 > 17 21 Al 0.63104145780270 0.29105409245326 0.04677507303479 26.982 > 21 22 Al 0.63104145780270 0.79105409245326 0.04677507303479 26.982 > 21 23 Al 0.63104145780270 0.29105409245326 0.54677507303479 26.982 > 21 24 Al 0.63104145780270 0.79105409245326 0.54677507303479 26.982 > 21 25 Al 0.36895854219730 0.04105409245326 0.45322492696521 26.982 > 25 26 Al 0.36895854219730 0.54105409245326 0.45322492696521 26.982 > 25 27 Al 0.36895854219730 0.04105409245326 0.95322492696521 26.982 > 25 28 Al 0.36895854219730 0.54105409245326 0.95322492696521 26.982 > 25 29 Al 0.86895854219730 0.20894590754674 0.29677507303479 26.982 > 29 30 Al 0.86895854219730 0.70894590754674 0.29677507303479 26.982 > 29 31 Al 0.86895854219730 0.20894590754674 0.79677507303479 26.982 > 29 32 Al 0.86895854219730 0.70894590754674 0.79677507303479 26.982 > 29 33 Ge 0.56009335765478 0.12500000000000 0.19984125297427 72.640 > 33 34 Ge 0.56009335765478 0.62500000000000 0.19984125297427 72.640 > 33 35 Ge 0.56009335765478 0.12500000000000 0.69984125297427 72.640 > 33 36 Ge 0.56009335765478 0.62500000000000 0.69984125297427 72.640 > 33 37 Ge 0.43990664234522 0.37500000000000 0.30015874702573 72.640 > 37 38 Ge 0.43990664234522 0.87500000000000 0.30015874702573 72.640 > 37 39 Ge 0.43990664234522 0.37500000000000 0.80015874702573 72.640 > 37 40 Ge 0.43990664234522 0.87500000000000 0.80015874702573 72.640 > 37 41 Ge 0.93990664234522 0.37500000000000 0.44984125297427 72.640 > 41 42 Ge 0.93990664234522 0.87500000000000 0.44984125297427 72.640 > 41 43 Ge 0.93990664234522 0.37500000000000 0.94984125297427 72.640 > 41 44 Ge 0.93990664234522 0.87500000000000 0.94984125297427 72.640 > 41 45 Ge 0.06009335765478 0.12500000000000 0.05015874702573 72.640 > 45 46 Ge 0.06009335765478 0.62500000000000 0.05015874702573 72.640 > 45 47 Ge 0.06009335765478 0.12500000000000 0.55015874702573 72.640 > 45 48 Ge 0.06009335765478 0.62500000000000 0.55015874702573 72.640 > 45 49 O 0.50855566411407 0.04176917913229 0.10289516701043 15.999 > 49 50 O 0.50855566411407 0.54176917913229 0.10289516701043 15.999 > 49 51 O 0.50855566411407 0.04176917913229 0.60289516701043 15.999 > 49 52 O 0.50855566411407 0.54176917913229 0.60289516701043 15.999 > 49 53 O 0.75405698509084 0.12500000000000 0.22834918923123 15.999 > 53 54 O 0.75405698509084 0.62500000000000 0.22834918923123 15.999 > 53 55 O 0.75405698509084 0.12500000000000 0.72834918923123 15.999 > 53 56 O 0.75405698509084 0.62500000000000 0.72834918923123 15.999 > 53 57 O 0.49144433588593 0.45823082086771 0.39710483298957 15.999 > 57 58 O 0.49144433588593 0.95823082086771 0.39710483298957 15.999 > 57 59 O 0.49144433588593 0.45823082086771 0.89710483298957 15.999 > 57 60 O 0.49144433588593 0.95823082086771 0.89710483298957 15.999 > 57 61 O 0.96528816770653 0.12500000000000 0.38930538434430 15.999 > 61 62 O 0.96528816770653 0.62500000000000 0.38930538434430 15.999 > 61 63 O 0.96528816770653 0.12500000000000 0.88930538434430 15.999 > 61 64 O 0.96528816770653 0.62500000000000 0.88930538434430 15.999 > 61 65 O 0.24594301490916 0.37500000000000 0.27165081076877 15.999 > 65 66 O 0.24594301490916 0.87500000000000 0.27165081076877 15.999 > 65 67 O 0.24594301490916 0.37500000000000 0.77165081076877 15.999 > 65 68 O 0.24594301490916 0.87500000000000 0.77165081076877 15.999 > 65 69 O 0.50855566411407 0.20823082086771 0.10289516701043 15.999 > 69 70 O 0.50855566411407 0.70823082086771 0.10289516701043 15.999 > 69 71 O 0.50855566411407 0.20823082086771 0.60289516701043 15.999 > 69 72 O 0.50855566411407 0.70823082086771 0.60289516701043 15.999 > 69 73 O 0.00855566411407 0.04176917913229 0.14710483298957 15.999 > 73 74 O 0.00855566411407 0.54176917913229 0.14710483298957 15.999 > 73 75 O 0.00855566411407 0.04176917913229 0.64710483298957 15.999 > 73 76 O 0.00855566411407 0.54176917913229 0.64710483298957 15.999 > 73 77 O 0.74594301490916 0.37500000000000 0.47834918923123 15.999 > 77 78 O 0.74594301490916 0.87500000000000 0.47834918923123 15.999 > 77 79 O 0.74594301490916 0.37500000000000 0.97834918923123 15.999 > 77 80 O 0.74594301490916 0.87500000000000 0.97834918923123 15.999 > 77 81 O 0.00855566411407 0.20823082086771 0.14710483298957 15.999 > 81 82 O 0.00855566411407 0.70823082086771 0.14710483298957 15.999 > 81 83 O 0.00855566411407 0.20823082086771 0.64710483298957 15.999 > 81 84 O 0.00855566411407 0.70823082086771 0.64710483298957 15.999 > 81 85 O 0.03471183229347 0.37500000000000 0.11069461565570 15.999 > 85 86 O 0.03471183229347 0.87500000000000 0.11069461565570 15.999 > 85 87 O 0.03471183229347 0.37500000000000 0.61069461565570 15.999 > 85 88 O 0.03471183229347 0.87500000000000 0.61069461565570 15.999 > 85 89 O 0.99144433588593 0.45823082086771 0.35289516701043 15.999 > 89 90 O 0.99144433588593 0.95823082086771 0.35289516701043 15.999 > 89 91 O 0.99144433588593 0.45823082086771 0.85289516701043 15.999 > 89 92 O 0.99144433588593 0.95823082086771 0.85289516701043 15.999 > 89 93 O 0.53471183229347 0.37500000000000 0.13930538434430 15.999 > 93 94 O 0.53471183229347 0.87500000000000 0.13930538434430 15.999 > 93 95 O 0.53471183229347 0.37500000000000 0.63930538434430 15.999 > 93 96 O 0.53471183229347 0.87500000000000 0.63930538434430 15.999 > 93 97 O 0.46528816770653 0.12500000000000 0.36069461565570 15.999 > 97 98 O 0.46528816770653 0.62500000000000 0.36069461565570 15.999 > 97 99 O 0.46528816770653 0.12500000000000 0.86069461565570 15.999 > 97 100 O 0.46528816770653 0.62500000000000 0.86069461565570 15.999 > 97 101 O 0.99144433588593 0.29176917913229 0.35289516701043 15.999 > 101 102 O 0.99144433588593 0.79176917913229 0.35289516701043 15.999 > 101 103 O 0.99144433588593 0.29176917913229 0.85289516701043 15.999 > 101 104 O 0.99144433588593 0.79176917913229 0.85289516701043 15.999 > 101 105 O 0.49144433588593 0.29176917913229 0.39710483298957 15.999 > 105 106 O 0.49144433588593 0.79176917913229 0.39710483298957 15.999 > 105 107 O 0.49144433588593 0.29176917913229 0.89710483298957 15.999 > 105 108 O 0.49144433588593 0.79176917913229 0.89710483298957 15.999 > 105 109 O 0.25405698509084 0.12500000000000 0.02165081076877 15.999 > 109 110 O 0.25405698509084 0.62500000000000 0.02165081076877 15.999 > 109 111 O 0.25405698509084 0.12500000000000 0.52165081076877 15.999 > 109 112 O 0.25405698509084 0.62500000000000 0.52165081076877 15.999 > 109 113 F 0.25065764053446 0.47327997270076 0.05138026472627 18.998 > 113 114 F 0.25065764053446 0.97327997270076 0.05138026472627 18.998 > 113 115 F 0.25065764053446 0.47327997270076 0.55138026472627 18.998 > 113 116 F 0.25065764053446 0.97327997270076 0.55138026472627 18.998 > 113 117 F 0.25065764053446 0.27672002729924 0.05138026472627 18.998 > 117 118 F 0.25065764053446 0.77672002729924 0.05138026472627 18.998 > 117 119 F 0.25065764053446 0.27672002729924 0.55138026472627 18.998 > 117 120 F 0.25065764053446 0.77672002729924 0.55138026472627 18.998 > 117 121 F 0.75065764053446 0.27672002729924 0.19861973527373 18.998 > 121 122 F 0.75065764053446 0.77672002729924 0.19861973527373 18.998 > 121 123 F 0.75065764053446 0.27672002729924 0.69861973527373 18.998 > 121 124 F 0.75065764053446 0.77672002729924 0.69861973527373 18.998 > 121 125 F 0.24934235946554 0.02672002729924 0.30138026472627 18.998 > 125 126 F 0.24934235946554 0.52672002729924 0.30138026472627 18.998 > 125 127 F 0.24934235946554 0.02672002729924 0.80138026472627 18.998 > 125 128 F 0.24934235946554 0.52672002729924 0.80138026472627 18.998 > 125 129 F 0.74934235946554 0.02672002729924 0.44861973527373 18.998 > 129 130 F 0.74934235946554 0.52672002729924 0.44861973527373 18.998 > 129 131 F 0.74934235946554 0.02672002729924 0.94861973527373 18.998 > 129 132 F 0.74934235946554 0.52672002729924 0.94861973527373 18.998 > 129 133 F 0.75065764053446 0.47327997270076 0.19861973527373 18.998 > 133 134 F 0.75065764053446 0.97327997270076 0.19861973527373 18.998 > 133 135 F 0.75065764053446 0.47327997270076 0.69861973527373 18.998 > 133 136 F 0.75065764053446 0.97327997270076 0.69861973527373 18.998 > 133 137 F 0.24934235946554 0.22327997270076 0.30138026472627 18.998 > 137 138 F 0.24934235946554 0.72327997270076 0.30138026472627 18.998 > 137 139 F 0.24934235946554 0.22327997270076 0.80138026472627 18.998 > 137 140 F 0.24934235946554 0.72327997270076 0.80138026472627 18.998 > 137 141 F 0.74934235946554 0.22327997270076 0.44861973527373 18.998 > 141 142 F 0.74934235946554 0.72327997270076 0.44861973527373 18.998 > 141 143 F 0.74934235946554 0.22327997270076 0.94861973527373 18.998 > 141 144 F 0.74934235946554 0.72327997270076 0.94861973527373 18.998 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9197932 0.0000000 0.0000000 0.0000000 2.9146266 0.0000000 0.0000000 0.0000000 2.9307167 -------------------------- Born effective charges -------------------------- 1 Al 3.0578606 -0.1527230 0.0273431 -0.0528358 3.1329505 -0.2494849 0.1010468 0.1830006 2.9897701 2 Al 3.0578606 -0.1527230 -0.0273431 -0.0528358 3.1329505 0.2494849 -0.1010468 -0.1830006 2.9897701 3 Al 3.0578606 0.1527230 0.0273431 0.0528358 3.1329505 0.2494849 0.1010468 -0.1830006 2.9897701 4 Al 3.0578606 -0.1527230 0.0273431 -0.0528358 3.1329505 -0.2494849 0.1010468 0.1830006 2.9897701 5 Al 3.0578606 0.1527230 -0.0273431 0.0528358 3.1329505 -0.2494849 -0.1010468 0.1830006 2.9897701 6 Al 3.0578606 0.1527230 -0.0273431 0.0528358 3.1329505 -0.2494849 -0.1010468 0.1830006 2.9897701 7 Al 3.0578606 -0.1527230 -0.0273431 -0.0528358 3.1329505 0.2494849 -0.1010468 -0.1830006 2.9897701 8 Al 3.0578606 0.1527230 0.0273431 0.0528358 3.1329505 0.2494849 0.1010468 -0.1830006 2.9897701 9 Ge 3.3620524 0.0000000 -0.0171594 0.0000000 3.2490043 0.0000000 0.1144079 0.0000000 3.3450335 10 Ge 3.3620524 0.0000000 -0.0171594 0.0000000 3.2490043 0.0000000 0.1144079 0.0000000 3.3450335 11 Ge 3.3620524 0.0000000 0.0171594 0.0000000 3.2490043 0.0000000 -0.1144079 0.0000000 3.3450335 12 Ge 3.3620524 0.0000000 0.0171594 0.0000000 3.2490043 0.0000000 -0.1144079 0.0000000 3.3450335 13 O -1.5305829 0.0892193 -0.3046666 0.0764056 -2.0527011 -0.5262282 -0.3153741 -0.4185146 -1.8048194 14 O -2.4755236 0.0000000 -0.4087671 0.0000000 -1.5989454 0.0000000 -0.4143262 0.0000000 -1.2585070 15 O -1.5305829 0.0892193 -0.3046666 0.0764056 -2.0527011 -0.5262282 -0.3153741 -0.4185146 -1.8048194 16 O -1.5700931 0.0000000 -0.6605662 0.0000000 -1.7556579 0.0000000 -0.6828856 0.0000000 -2.1433672 17 O -2.4755236 0.0000000 -0.4087671 0.0000000 -1.5989454 0.0000000 -0.4143262 0.0000000 -1.2585070 18 O -1.5305829 -0.0892193 -0.3046666 -0.0764056 -2.0527011 0.5262282 -0.3153741 0.4185146 -1.8048194 19 O -1.5305829 0.0892193 0.3046666 0.0764056 -2.0527011 0.5262282 0.3153741 0.4185146 -1.8048194 20 O -2.4755236 0.0000000 0.4087671 0.0000000 -1.5989454 0.0000000 0.4143262 0.0000000 -1.2585070 21 O -1.5305829 -0.0892193 0.3046666 -0.0764056 -2.0527011 -0.5262282 0.3153741 -0.4185146 -1.8048194 22 O -1.5700931 0.0000000 -0.6605662 0.0000000 -1.7556579 0.0000000 -0.6828856 0.0000000 -2.1433672 23 O -1.5305829 0.0892193 0.3046666 0.0764056 -2.0527011 0.5262282 0.3153741 0.4185146 -1.8048194 24 O -1.5700931 0.0000000 0.6605662 0.0000000 -1.7556579 0.0000000 0.6828856 0.0000000 -2.1433672 25 O -1.5700931 0.0000000 0.6605662 0.0000000 -1.7556579 0.0000000 0.6828856 0.0000000 -2.1433672 26 O -1.5305829 -0.0892193 0.3046666 -0.0764056 -2.0527011 -0.5262282 0.3153741 -0.4185146 -1.8048194 27 O -1.5305829 -0.0892193 -0.3046666 -0.0764056 -2.0527011 0.5262282 -0.3153741 0.4185146 -1.8048194 28 O -2.4755236 0.0000000 0.4087671 0.0000000 -1.5989454 0.0000000 0.4143262 0.0000000 -1.2585070 29 F -1.1854956 -0.1450509 0.3410615 -0.1694110 -1.0274500 0.1963492 0.3199723 0.1864009 -1.1565303 30 F -1.1854956 0.1450509 0.3410615 0.1694110 -1.0274500 -0.1963492 0.3199723 -0.1864009 -1.1565303 31 F -1.1854956 0.1450509 -0.3410615 0.1694110 -1.0274500 0.1963492 -0.3199723 0.1864009 -1.1565303 32 F -1.1854956 -0.1450509 -0.3410615 -0.1694110 -1.0274500 -0.1963492 -0.3199723 -0.1864009 -1.1565303 33 F -1.1854956 -0.1450509 0.3410615 -0.1694110 -1.0274500 0.1963492 0.3199723 0.1864009 -1.1565303 34 F -1.1854956 -0.1450509 -0.3410615 -0.1694110 -1.0274500 -0.1963492 -0.3199723 -0.1864009 -1.1565303 35 F -1.1854956 0.1450509 -0.3410615 0.1694110 -1.0274500 0.1963492 -0.3199723 0.1864009 -1.1565303 36 F -1.1854956 0.1450509 0.3410615 0.1694110 -1.0274500 -0.1963492 0.3199723 -0.1864009 -1.1565303 ---------------------------------------------------------------------------- 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, 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[ 61, 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[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:13:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:13:21]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.009234340000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.558225439999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.769040730000001 Atomic positions (fractional): 1 Al 0.86895854219730 0.08210818490653 0.59355014606957 26.982 2 Al 0.63104145780270 0.91789181509347 0.09355014606957 26.982 3 Al 0.13104145780270 0.58210818490653 0.40644985393043 26.982 4 Al 0.13104145780270 0.91789181509347 0.40644985393043 26.982 5 Al 0.36895854219730 0.41789181509347 0.90644985393043 26.982 6 Al 0.63104145780270 0.58210818490653 0.09355014606957 26.982 7 Al 0.36895854219730 0.08210818490653 0.90644985393043 26.982 8 Al 0.86895854219730 0.41789181509347 0.59355014606957 26.982 9 Ge 0.56009335765478 0.25000000000000 0.39968250594854 72.640 10 Ge 0.43990664234522 0.75000000000000 0.60031749405146 72.640 11 Ge 0.93990664234522 0.75000000000000 0.89968250594854 72.640 12 Ge 0.06009335765478 0.25000000000000 0.10031749405146 72.640 13 O 0.50855566411407 0.08353835826457 0.20579033402086 15.999 14 O 0.75405698509084 0.25000000000000 0.45669837846247 15.999 15 O 0.49144433588593 0.91646164173543 0.79420966597914 15.999 16 O 0.96528816770653 0.25000000000000 0.77861076868859 15.999 17 O 0.24594301490916 0.75000000000000 0.54330162153753 15.999 18 O 0.50855566411407 0.41646164173543 0.20579033402086 15.999 19 O 0.00855566411407 0.08353835826457 0.29420966597914 15.999 20 O 0.74594301490916 0.75000000000000 0.95669837846247 15.999 21 O 0.00855566411407 0.41646164173543 0.29420966597914 15.999 22 O 0.03471183229347 0.75000000000000 0.22138923131141 15.999 23 O 0.99144433588593 0.91646164173543 0.70579033402086 15.999 24 O 0.53471183229347 0.75000000000000 0.27861076868859 15.999 25 O 0.46528816770653 0.25000000000000 0.72138923131141 15.999 26 O 0.99144433588593 0.58353835826457 0.70579033402086 15.999 27 O 0.49144433588593 0.58353835826457 0.79420966597914 15.999 28 O 0.25405698509084 0.25000000000000 0.04330162153753 15.999 29 F 0.25065764053446 0.94655994540153 0.10276052945254 18.998 30 F 0.25065764053446 0.55344005459847 0.10276052945254 18.998 31 F 0.75065764053446 0.55344005459847 0.39723947054746 18.998 32 F 0.24934235946554 0.05344005459847 0.60276052945254 18.998 33 F 0.74934235946554 0.05344005459847 0.89723947054746 18.998 34 F 0.75065764053446 0.94655994540153 0.39723947054746 18.998 35 F 0.24934235946554 0.44655994540153 0.60276052945254 18.998 36 F 0.74934235946554 0.44655994540153 0.89723947054746 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.009234340000001 0.000000000000000 0.000000000000000 b 0.000000000000000 17.116450879999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.538081460000003 Atomic positions (fractional): 1 Al 0.86895854219730 0.04105409245326 0.29677507303479 26.982 > 1 2 Al 0.86895854219730 0.54105409245326 0.29677507303479 26.982 > 1 3 Al 0.86895854219730 0.04105409245326 0.79677507303479 26.982 > 1 4 Al 0.86895854219730 0.54105409245326 0.79677507303479 26.982 > 1 5 Al 0.63104145780270 0.45894590754674 0.04677507303479 26.982 > 5 6 Al 0.63104145780270 0.95894590754674 0.04677507303479 26.982 > 5 7 Al 0.63104145780270 0.45894590754674 0.54677507303479 26.982 > 5 8 Al 0.63104145780270 0.95894590754674 0.54677507303479 26.982 > 5 9 Al 0.13104145780270 0.29105409245326 0.20322492696521 26.982 > 9 10 Al 0.13104145780270 0.79105409245326 0.20322492696521 26.982 > 9 11 Al 0.13104145780270 0.29105409245326 0.70322492696521 26.982 > 9 12 Al 0.13104145780270 0.79105409245326 0.70322492696521 26.982 > 9 13 Al 0.13104145780270 0.45894590754674 0.20322492696521 26.982 > 13 14 Al 0.13104145780270 0.95894590754674 0.20322492696521 26.982 > 13 15 Al 0.13104145780270 0.45894590754674 0.70322492696521 26.982 > 13 16 Al 0.13104145780270 0.95894590754674 0.70322492696521 26.982 > 13 17 Al 0.36895854219730 0.20894590754674 0.45322492696521 26.982 > 17 18 Al 0.36895854219730 0.70894590754674 0.45322492696521 26.982 > 17 19 Al 0.36895854219730 0.20894590754674 0.95322492696521 26.982 > 17 20 Al 0.36895854219730 0.70894590754674 0.95322492696521 26.982 > 17 21 Al 0.63104145780270 0.29105409245326 0.04677507303479 26.982 > 21 22 Al 0.63104145780270 0.79105409245326 0.04677507303479 26.982 > 21 23 Al 0.63104145780270 0.29105409245326 0.54677507303479 26.982 > 21 24 Al 0.63104145780270 0.79105409245326 0.54677507303479 26.982 > 21 25 Al 0.36895854219730 0.04105409245326 0.45322492696521 26.982 > 25 26 Al 0.36895854219730 0.54105409245326 0.45322492696521 26.982 > 25 27 Al 0.36895854219730 0.04105409245326 0.95322492696521 26.982 > 25 28 Al 0.36895854219730 0.54105409245326 0.95322492696521 26.982 > 25 29 Al 0.86895854219730 0.20894590754674 0.29677507303479 26.982 > 29 30 Al 0.86895854219730 0.70894590754674 0.29677507303479 26.982 > 29 31 Al 0.86895854219730 0.20894590754674 0.79677507303479 26.982 > 29 32 Al 0.86895854219730 0.70894590754674 0.79677507303479 26.982 > 29 33 Ge 0.56009335765478 0.12500000000000 0.19984125297427 72.640 > 33 34 Ge 0.56009335765478 0.62500000000000 0.19984125297427 72.640 > 33 35 Ge 0.56009335765478 0.12500000000000 0.69984125297427 72.640 > 33 36 Ge 0.56009335765478 0.62500000000000 0.69984125297427 72.640 > 33 37 Ge 0.43990664234522 0.37500000000000 0.30015874702573 72.640 > 37 38 Ge 0.43990664234522 0.87500000000000 0.30015874702573 72.640 > 37 39 Ge 0.43990664234522 0.37500000000000 0.80015874702573 72.640 > 37 40 Ge 0.43990664234522 0.87500000000000 0.80015874702573 72.640 > 37 41 Ge 0.93990664234522 0.37500000000000 0.44984125297427 72.640 > 41 42 Ge 0.93990664234522 0.87500000000000 0.44984125297427 72.640 > 41 43 Ge 0.93990664234522 0.37500000000000 0.94984125297427 72.640 > 41 44 Ge 0.93990664234522 0.87500000000000 0.94984125297427 72.640 > 41 45 Ge 0.06009335765478 0.12500000000000 0.05015874702573 72.640 > 45 46 Ge 0.06009335765478 0.62500000000000 0.05015874702573 72.640 > 45 47 Ge 0.06009335765478 0.12500000000000 0.55015874702573 72.640 > 45 48 Ge 0.06009335765478 0.62500000000000 0.55015874702573 72.640 > 45 49 O 0.50855566411407 0.04176917913229 0.10289516701043 15.999 > 49 50 O 0.50855566411407 0.54176917913229 0.10289516701043 15.999 > 49 51 O 0.50855566411407 0.04176917913229 0.60289516701043 15.999 > 49 52 O 0.50855566411407 0.54176917913229 0.60289516701043 15.999 > 49 53 O 0.75405698509084 0.12500000000000 0.22834918923123 15.999 > 53 54 O 0.75405698509084 0.62500000000000 0.22834918923123 15.999 > 53 55 O 0.75405698509084 0.12500000000000 0.72834918923123 15.999 > 53 56 O 0.75405698509084 0.62500000000000 0.72834918923123 15.999 > 53 57 O 0.49144433588593 0.45823082086771 0.39710483298957 15.999 > 57 58 O 0.49144433588593 0.95823082086771 0.39710483298957 15.999 > 57 59 O 0.49144433588593 0.45823082086771 0.89710483298957 15.999 > 57 60 O 0.49144433588593 0.95823082086771 0.89710483298957 15.999 > 57 61 O 0.96528816770653 0.12500000000000 0.38930538434430 15.999 > 61 62 O 0.96528816770653 0.62500000000000 0.38930538434430 15.999 > 61 63 O 0.96528816770653 0.12500000000000 0.88930538434430 15.999 > 61 64 O 0.96528816770653 0.62500000000000 0.88930538434430 15.999 > 61 65 O 0.24594301490916 0.37500000000000 0.27165081076877 15.999 > 65 66 O 0.24594301490916 0.87500000000000 0.27165081076877 15.999 > 65 67 O 0.24594301490916 0.37500000000000 0.77165081076877 15.999 > 65 68 O 0.24594301490916 0.87500000000000 0.77165081076877 15.999 > 65 69 O 0.50855566411407 0.20823082086771 0.10289516701043 15.999 > 69 70 O 0.50855566411407 0.70823082086771 0.10289516701043 15.999 > 69 71 O 0.50855566411407 0.20823082086771 0.60289516701043 15.999 > 69 72 O 0.50855566411407 0.70823082086771 0.60289516701043 15.999 > 69 73 O 0.00855566411407 0.04176917913229 0.14710483298957 15.999 > 73 74 O 0.00855566411407 0.54176917913229 0.14710483298957 15.999 > 73 75 O 0.00855566411407 0.04176917913229 0.64710483298957 15.999 > 73 76 O 0.00855566411407 0.54176917913229 0.64710483298957 15.999 > 73 77 O 0.74594301490916 0.37500000000000 0.47834918923123 15.999 > 77 78 O 0.74594301490916 0.87500000000000 0.47834918923123 15.999 > 77 79 O 0.74594301490916 0.37500000000000 0.97834918923123 15.999 > 77 80 O 0.74594301490916 0.87500000000000 0.97834918923123 15.999 > 77 81 O 0.00855566411407 0.20823082086771 0.14710483298957 15.999 > 81 82 O 0.00855566411407 0.70823082086771 0.14710483298957 15.999 > 81 83 O 0.00855566411407 0.20823082086771 0.64710483298957 15.999 > 81 84 O 0.00855566411407 0.70823082086771 0.64710483298957 15.999 > 81 85 O 0.03471183229347 0.37500000000000 0.11069461565570 15.999 > 85 86 O 0.03471183229347 0.87500000000000 0.11069461565570 15.999 > 85 87 O 0.03471183229347 0.37500000000000 0.61069461565570 15.999 > 85 88 O 0.03471183229347 0.87500000000000 0.61069461565570 15.999 > 85 89 O 0.99144433588593 0.45823082086771 0.35289516701043 15.999 > 89 90 O 0.99144433588593 0.95823082086771 0.35289516701043 15.999 > 89 91 O 0.99144433588593 0.45823082086771 0.85289516701043 15.999 > 89 92 O 0.99144433588593 0.95823082086771 0.85289516701043 15.999 > 89 93 O 0.53471183229347 0.37500000000000 0.13930538434430 15.999 > 93 94 O 0.53471183229347 0.87500000000000 0.13930538434430 15.999 > 93 95 O 0.53471183229347 0.37500000000000 0.63930538434430 15.999 > 93 96 O 0.53471183229347 0.87500000000000 0.63930538434430 15.999 > 93 97 O 0.46528816770653 0.12500000000000 0.36069461565570 15.999 > 97 98 O 0.46528816770653 0.62500000000000 0.36069461565570 15.999 > 97 99 O 0.46528816770653 0.12500000000000 0.86069461565570 15.999 > 97 100 O 0.46528816770653 0.62500000000000 0.86069461565570 15.999 > 97 101 O 0.99144433588593 0.29176917913229 0.35289516701043 15.999 > 101 102 O 0.99144433588593 0.79176917913229 0.35289516701043 15.999 > 101 103 O 0.99144433588593 0.29176917913229 0.85289516701043 15.999 > 101 104 O 0.99144433588593 0.79176917913229 0.85289516701043 15.999 > 101 105 O 0.49144433588593 0.29176917913229 0.39710483298957 15.999 > 105 106 O 0.49144433588593 0.79176917913229 0.39710483298957 15.999 > 105 107 O 0.49144433588593 0.29176917913229 0.89710483298957 15.999 > 105 108 O 0.49144433588593 0.79176917913229 0.89710483298957 15.999 > 105 109 O 0.25405698509084 0.12500000000000 0.02165081076877 15.999 > 109 110 O 0.25405698509084 0.62500000000000 0.02165081076877 15.999 > 109 111 O 0.25405698509084 0.12500000000000 0.52165081076877 15.999 > 109 112 O 0.25405698509084 0.62500000000000 0.52165081076877 15.999 > 109 113 F 0.25065764053446 0.47327997270076 0.05138026472627 18.998 > 113 114 F 0.25065764053446 0.97327997270076 0.05138026472627 18.998 > 113 115 F 0.25065764053446 0.47327997270076 0.55138026472627 18.998 > 113 116 F 0.25065764053446 0.97327997270076 0.55138026472627 18.998 > 113 117 F 0.25065764053446 0.27672002729924 0.05138026472627 18.998 > 117 118 F 0.25065764053446 0.77672002729924 0.05138026472627 18.998 > 117 119 F 0.25065764053446 0.27672002729924 0.55138026472627 18.998 > 117 120 F 0.25065764053446 0.77672002729924 0.55138026472627 18.998 > 117 121 F 0.75065764053446 0.27672002729924 0.19861973527373 18.998 > 121 122 F 0.75065764053446 0.77672002729924 0.19861973527373 18.998 > 121 123 F 0.75065764053446 0.27672002729924 0.69861973527373 18.998 > 121 124 F 0.75065764053446 0.77672002729924 0.69861973527373 18.998 > 121 125 F 0.24934235946554 0.02672002729924 0.30138026472627 18.998 > 125 126 F 0.24934235946554 0.52672002729924 0.30138026472627 18.998 > 125 127 F 0.24934235946554 0.02672002729924 0.80138026472627 18.998 > 125 128 F 0.24934235946554 0.52672002729924 0.80138026472627 18.998 > 125 129 F 0.74934235946554 0.02672002729924 0.44861973527373 18.998 > 129 130 F 0.74934235946554 0.52672002729924 0.44861973527373 18.998 > 129 131 F 0.74934235946554 0.02672002729924 0.94861973527373 18.998 > 129 132 F 0.74934235946554 0.52672002729924 0.94861973527373 18.998 > 129 133 F 0.75065764053446 0.47327997270076 0.19861973527373 18.998 > 133 134 F 0.75065764053446 0.97327997270076 0.19861973527373 18.998 > 133 135 F 0.75065764053446 0.47327997270076 0.69861973527373 18.998 > 133 136 F 0.75065764053446 0.97327997270076 0.69861973527373 18.998 > 133 137 F 0.24934235946554 0.22327997270076 0.30138026472627 18.998 > 137 138 F 0.24934235946554 0.72327997270076 0.30138026472627 18.998 > 137 139 F 0.24934235946554 0.22327997270076 0.80138026472627 18.998 > 137 140 F 0.24934235946554 0.72327997270076 0.80138026472627 18.998 > 137 141 F 0.74934235946554 0.22327997270076 0.44861973527373 18.998 > 141 142 F 0.74934235946554 0.72327997270076 0.44861973527373 18.998 > 141 143 F 0.74934235946554 0.22327997270076 0.94861973527373 18.998 > 141 144 F 0.74934235946554 0.72327997270076 0.94861973527373 18.998 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9197932 0.0000000 0.0000000 0.0000000 2.9146266 0.0000000 0.0000000 0.0000000 2.9307167 -------------------------- Born effective charges -------------------------- 1 Al 3.0578606 -0.1527230 0.0273431 -0.0528358 3.1329505 -0.2494849 0.1010468 0.1830006 2.9897701 2 Al 3.0578606 -0.1527230 -0.0273431 -0.0528358 3.1329505 0.2494849 -0.1010468 -0.1830006 2.9897701 3 Al 3.0578606 0.1527230 0.0273431 0.0528358 3.1329505 0.2494849 0.1010468 -0.1830006 2.9897701 4 Al 3.0578606 -0.1527230 0.0273431 -0.0528358 3.1329505 -0.2494849 0.1010468 0.1830006 2.9897701 5 Al 3.0578606 0.1527230 -0.0273431 0.0528358 3.1329505 -0.2494849 -0.1010468 0.1830006 2.9897701 6 Al 3.0578606 0.1527230 -0.0273431 0.0528358 3.1329505 -0.2494849 -0.1010468 0.1830006 2.9897701 7 Al 3.0578606 -0.1527230 -0.0273431 -0.0528358 3.1329505 0.2494849 -0.1010468 -0.1830006 2.9897701 8 Al 3.0578606 0.1527230 0.0273431 0.0528358 3.1329505 0.2494849 0.1010468 -0.1830006 2.9897701 9 Ge 3.3620524 0.0000000 -0.0171594 0.0000000 3.2490043 0.0000000 0.1144079 0.0000000 3.3450335 10 Ge 3.3620524 0.0000000 -0.0171594 0.0000000 3.2490043 0.0000000 0.1144079 0.0000000 3.3450335 11 Ge 3.3620524 0.0000000 0.0171594 0.0000000 3.2490043 0.0000000 -0.1144079 0.0000000 3.3450335 12 Ge 3.3620524 0.0000000 0.0171594 0.0000000 3.2490043 0.0000000 -0.1144079 0.0000000 3.3450335 13 O -1.5305829 0.0892193 -0.3046666 0.0764056 -2.0527011 -0.5262282 -0.3153741 -0.4185146 -1.8048194 14 O -2.4755236 0.0000000 -0.4087671 0.0000000 -1.5989454 0.0000000 -0.4143262 0.0000000 -1.2585070 15 O -1.5305829 0.0892193 -0.3046666 0.0764056 -2.0527011 -0.5262282 -0.3153741 -0.4185146 -1.8048194 16 O -1.5700931 0.0000000 -0.6605662 0.0000000 -1.7556579 0.0000000 -0.6828856 0.0000000 -2.1433672 17 O -2.4755236 0.0000000 -0.4087671 0.0000000 -1.5989454 0.0000000 -0.4143262 0.0000000 -1.2585070 18 O -1.5305829 -0.0892193 -0.3046666 -0.0764056 -2.0527011 0.5262282 -0.3153741 0.4185146 -1.8048194 19 O -1.5305829 0.0892193 0.3046666 0.0764056 -2.0527011 0.5262282 0.3153741 0.4185146 -1.8048194 20 O -2.4755236 0.0000000 0.4087671 0.0000000 -1.5989454 0.0000000 0.4143262 0.0000000 -1.2585070 21 O -1.5305829 -0.0892193 0.3046666 -0.0764056 -2.0527011 -0.5262282 0.3153741 -0.4185146 -1.8048194 22 O -1.5700931 0.0000000 -0.6605662 0.0000000 -1.7556579 0.0000000 -0.6828856 0.0000000 -2.1433672 23 O -1.5305829 0.0892193 0.3046666 0.0764056 -2.0527011 0.5262282 0.3153741 0.4185146 -1.8048194 24 O -1.5700931 0.0000000 0.6605662 0.0000000 -1.7556579 0.0000000 0.6828856 0.0000000 -2.1433672 25 O -1.5700931 0.0000000 0.6605662 0.0000000 -1.7556579 0.0000000 0.6828856 0.0000000 -2.1433672 26 O -1.5305829 -0.0892193 0.3046666 -0.0764056 -2.0527011 -0.5262282 0.3153741 -0.4185146 -1.8048194 27 O -1.5305829 -0.0892193 -0.3046666 -0.0764056 -2.0527011 0.5262282 -0.3153741 0.4185146 -1.8048194 28 O -2.4755236 0.0000000 0.4087671 0.0000000 -1.5989454 0.0000000 0.4143262 0.0000000 -1.2585070 29 F -1.1854956 -0.1450509 0.3410615 -0.1694110 -1.0274500 0.1963492 0.3199723 0.1864009 -1.1565303 30 F -1.1854956 0.1450509 0.3410615 0.1694110 -1.0274500 -0.1963492 0.3199723 -0.1864009 -1.1565303 31 F -1.1854956 0.1450509 -0.3410615 0.1694110 -1.0274500 0.1963492 -0.3199723 0.1864009 -1.1565303 32 F -1.1854956 -0.1450509 -0.3410615 -0.1694110 -1.0274500 -0.1963492 -0.3199723 -0.1864009 -1.1565303 33 F -1.1854956 -0.1450509 0.3410615 -0.1694110 -1.0274500 0.1963492 0.3199723 0.1864009 -1.1565303 34 F -1.1854956 -0.1450509 -0.3410615 -0.1694110 -1.0274500 -0.1963492 -0.3199723 -0.1864009 -1.1565303 35 F -1.1854956 0.1450509 -0.3410615 0.1694110 -1.0274500 0.1963492 -0.3199723 0.1864009 -1.1565303 36 F -1.1854956 0.1450509 0.3410615 0.1694110 -1.0274500 -0.1963492 0.3199723 -0.1864009 -1.1565303 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) --------------------------- 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 ... [ 6 6 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.58, Number of G-points: 295, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 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 3.948 ( 0.000 0.000 0.000) 0.000 4.166 ( 0.000 0.000 0.000) 0.000 4.493 ( 0.000 0.000 0.000) 0.000 4.517 ( 0.000 0.000 0.000) 0.000 4.763 ( 0.000 0.000 0.000) 0.000 4.842 ( 0.000 0.000 0.000) 0.000 4.894 ( 0.000 0.000 0.000) 0.000 5.027 ( 0.000 0.000 0.000) 0.000 5.085 ( 0.000 0.000 0.000) 0.000 5.717 ( 0.000 0.000 0.000) 0.000 5.847 ( 0.000 0.000 0.000) 0.000 6.294 ( 0.000 0.000 0.000) 0.000 6.317 ( 0.000 0.000 0.000) 0.000 6.414 ( 0.000 0.000 0.000) 0.000 6.476 ( 0.000 0.000 0.000) 0.000 6.625 ( 0.000 0.000 0.000) 0.000 6.848 ( 0.000 0.000 0.000) 0.000 6.944 ( 0.000 0.000 0.000) 0.000 7.243 ( 0.000 0.000 0.000) 0.000 7.435 ( 0.000 0.000 0.000) 0.000 7.442 ( 0.000 0.000 0.000) 0.000 7.550 ( 0.000 0.000 0.000) 0.000 7.597 ( 0.000 0.000 0.000) 0.000 7.661 ( 0.000 0.000 0.000) 0.000 8.028 ( 0.000 0.000 0.000) 0.000 8.138 ( 0.000 0.000 0.000) 0.000 8.256 ( 0.000 0.000 0.000) 0.000 8.333 ( 0.000 0.000 0.000) 0.000 8.418 ( 0.000 0.000 0.000) 0.000 8.541 ( 0.000 0.000 0.000) 0.000 8.918 ( 0.000 0.000 0.000) 0.000 8.930 ( 0.000 0.000 0.000) 0.000 9.042 ( 0.000 0.000 0.000) 0.000 9.138 ( 0.000 0.000 0.000) 0.000 9.235 ( 0.000 0.000 0.000) 0.000 9.561 ( 0.000 0.000 0.000) 0.000 9.966 ( 0.000 0.000 0.000) 0.000 10.038 ( 0.000 0.000 0.000) 0.000 10.048 ( 0.000 0.000 0.000) 0.000 10.289 ( 0.000 0.000 0.000) 0.000 10.400 ( 0.000 0.000 0.000) 0.000 10.664 ( 0.000 0.000 0.000) 0.000 10.676 ( 0.000 0.000 0.000) 0.000 11.215 ( 0.000 0.000 0.000) 0.000 11.308 ( 0.000 0.000 0.000) 0.000 11.745 ( 0.000 0.000 0.000) 0.000 11.777 ( 0.000 0.000 0.000) 0.000 11.833 ( 0.000 0.000 0.000) 0.000 12.075 ( 0.000 0.000 0.000) 0.000 12.141 ( 0.000 0.000 0.000) 0.000 12.453 ( 0.000 0.000 0.000) 0.000 12.631 ( 0.000 0.000 0.000) 0.000 12.861 ( 0.000 0.000 0.000) 0.000 13.033 ( 0.000 0.000 0.000) 0.000 13.211 ( 0.000 0.000 0.000) 0.000 13.478 ( 0.000 0.000 0.000) 0.000 13.596 ( 0.000 0.000 0.000) 0.000 13.623 ( 0.000 0.000 0.000) 0.000 13.647 ( 0.000 0.000 0.000) 0.000 13.999 ( 0.000 0.000 0.000) 0.000 14.179 ( 0.000 0.000 0.000) 0.000 14.267 ( 0.000 0.000 0.000) 0.000 14.711 ( 0.000 0.000 0.000) 0.000 14.747 ( 0.000 0.000 0.000) 0.000 14.989 ( 0.000 0.000 0.000) 0.000 15.374 ( 0.000 0.000 0.000) 0.000 15.425 ( 0.000 0.000 0.000) 0.000 15.768 ( 0.000 0.000 0.000) 0.000 16.062 ( 0.000 0.000 0.000) 0.000 16.250 ( 0.000 0.000 0.000) 0.000 16.364 ( 0.000 0.000 0.000) 0.000 16.373 ( 0.000 0.000 0.000) 0.000 16.544 ( 0.000 0.000 0.000) 0.000 16.730 ( 0.000 0.000 0.000) 0.000 16.753 ( 0.000 0.000 0.000) 0.000 16.905 ( 0.000 0.000 0.000) 0.000 17.046 ( 0.000 0.000 0.000) 0.000 17.099 ( 0.000 0.000 0.000) 0.000 17.156 ( 0.000 0.000 0.000) 0.000 17.183 ( 0.000 0.000 0.000) 0.000 17.548 ( 0.000 0.000 0.000) 0.000 17.829 ( 0.000 0.000 0.000) 0.000 18.813 ( 0.000 0.000 0.000) 0.000 18.854 ( 0.000 0.000 0.000) 0.000 18.999 ( 0.000 0.000 0.000) 0.000 19.264 ( 0.000 0.000 0.000) 0.000 19.521 ( 0.000 0.000 0.000) 0.000 20.052 ( 0.000 0.000 0.000) 0.000 20.070 ( 0.000 0.000 0.000) 0.000 21.014 ( 0.000 0.000 0.000) 0.000 21.079 ( 0.000 0.000 0.000) 0.000 21.332 ( 0.000 0.000 0.000) 0.000 21.337 ( 0.000 0.000 0.000) 0.000 21.470 ( 0.000 0.000 0.000) 0.000 23.355 ( 0.000 0.000 0.000) 0.000 24.227 ( 0.000 0.000 0.000) 0.000 24.314 ( 0.000 0.000 0.000) 0.000 24.432 ( 0.000 0.000 0.000) 0.000 25.022 ( 0.000 0.000 0.000) 0.000 25.267 ( 0.000 0.000 0.000) 0.000 25.344 ( 0.000 0.000 0.000) 0.000 25.352 ( 0.000 0.000 0.000) 0.000 25.352 ( 0.000 0.000 0.000) 0.000 25.473 ( 0.000 0.000 0.000) 0.000 25.569 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 46.345 0.000 0.000) 46.345 0.897 ( 48.015 0.000 0.000) 48.015 1.514 ( 80.338 0.000 0.000) 80.338 3.834 ( -14.617 0.000 0.000) 14.617 3.915 ( -26.757 0.000 0.000) 26.757 4.449 ( -1.168 0.000 0.000) 1.168 4.622 ( -10.154 0.000 0.000) 10.154 4.624 ( -10.900 0.000 0.000) 10.900 4.653 ( 10.954 0.000 0.000) 10.954 4.741 ( -2.467 0.000 0.000) 2.467 5.255 ( 11.286 0.000 0.000) 11.286 5.457 ( 17.056 0.000 0.000) 17.056 5.625 ( -8.159 0.000 0.000) 8.159 5.894 ( 7.803 0.000 0.000) 7.803 6.297 ( 0.278 0.000 0.000) 0.278 6.358 ( 4.584 0.000 0.000) 4.584 6.424 ( -8.293 0.000 0.000) 8.293 6.471 ( -0.485 0.000 0.000) 0.485 6.616 ( -25.079 0.000 0.000) 25.079 6.684 ( 7.011 0.000 0.000) 7.011 7.064 ( -1.410 0.000 0.000) 1.410 7.144 ( -8.862 0.000 0.000) 8.862 7.149 ( -21.491 0.000 0.000) 21.491 7.456 ( -0.976 0.000 0.000) 0.976 7.509 ( 5.569 0.000 0.000) 5.569 7.695 ( 3.501 0.000 0.000) 3.501 7.886 ( 17.046 0.000 0.000) 17.046 8.045 ( -0.554 0.000 0.000) 0.554 8.205 ( -2.010 0.000 0.000) 2.010 8.275 ( 0.688 0.000 0.000) 0.688 8.279 ( -18.909 0.000 0.000) 18.909 8.601 ( 15.966 0.000 0.000) 15.966 8.634 ( 25.098 0.000 0.000) 25.098 8.797 ( -8.152 0.000 0.000) 8.152 9.113 ( -8.295 0.000 0.000) 8.295 9.116 ( 13.273 0.000 0.000) 13.273 9.117 ( 9.060 0.000 0.000) 9.060 9.230 ( 1.893 0.000 0.000) 1.893 9.552 ( -1.073 0.000 0.000) 1.073 9.922 ( -14.044 0.000 0.000) 14.044 9.951 ( -7.953 0.000 0.000) 7.953 10.201 ( -1.902 0.000 0.000) 1.902 10.405 ( 9.014 0.000 0.000) 9.014 10.446 ( 16.185 0.000 0.000) 16.185 10.549 ( -11.487 0.000 0.000) 11.487 10.724 ( 6.149 0.000 0.000) 6.149 11.206 ( -0.317 0.000 0.000) 0.317 11.351 ( -3.930 0.000 0.000) 3.930 11.714 ( -3.126 0.000 0.000) 3.126 11.805 ( -2.585 0.000 0.000) 2.585 11.988 ( -7.719 0.000 0.000) 7.719 12.042 ( -9.360 0.000 0.000) 9.360 12.409 ( -4.565 0.000 0.000) 4.565 12.605 ( 3.515 0.000 0.000) 3.515 12.607 ( -13.476 0.000 0.000) 13.476 12.843 ( -1.540 0.000 0.000) 1.540 12.931 ( 4.597 0.000 0.000) 4.597 13.236 ( 3.776 0.000 0.000) 3.776 13.448 ( -2.798 0.000 0.000) 2.798 13.481 ( -5.704 0.000 0.000) 5.704 13.797 ( 7.533 0.000 0.000) 7.533 13.827 ( 16.117 0.000 0.000) 16.117 14.125 ( -7.728 0.000 0.000) 7.728 14.185 ( 17.550 0.000 0.000) 17.550 14.352 ( 8.613 0.000 0.000) 8.613 14.616 ( -10.636 0.000 0.000) 10.636 14.769 ( -0.446 0.000 0.000) 0.446 14.991 ( -1.494 0.000 0.000) 1.494 15.437 ( 6.053 0.000 0.000) 6.053 15.514 ( 2.028 0.000 0.000) 2.028 15.853 ( 6.516 0.000 0.000) 6.516 15.922 ( -12.345 0.000 0.000) 12.345 16.318 ( -5.960 0.000 0.000) 5.960 16.338 ( 9.159 0.000 0.000) 9.159 16.376 ( -1.731 0.000 0.000) 1.731 16.620 ( 7.320 0.000 0.000) 7.320 16.644 ( -6.589 0.000 0.000) 6.589 16.726 ( -2.439 0.000 0.000) 2.439 17.012 ( -3.409 0.000 0.000) 3.409 17.021 ( -12.855 0.000 0.000) 12.855 17.086 ( -1.420 0.000 0.000) 1.420 17.149 ( -2.124 0.000 0.000) 2.124 17.687 ( 10.409 0.000 0.000) 10.409 17.852 ( 2.381 0.000 0.000) 2.381 18.605 ( 1.836 0.000 0.000) 1.836 18.827 ( 1.560 0.000 0.000) 1.560 18.833 ( -2.168 0.000 0.000) 2.168 19.204 ( -5.464 0.000 0.000) 5.464 19.313 ( 7.546 0.000 0.000) 7.546 19.582 ( 5.537 0.000 0.000) 5.537 20.015 ( -4.021 0.000 0.000) 4.021 20.038 ( -3.373 0.000 0.000) 3.373 21.108 ( 2.992 0.000 0.000) 2.992 21.332 ( -0.189 0.000 0.000) 0.189 21.349 ( 1.242 0.000 0.000) 1.242 21.463 ( -0.720 0.000 0.000) 0.720 23.370 ( 2.006 0.000 0.000) 2.006 24.031 ( -9.345 0.000 0.000) 9.345 24.297 ( 7.130 0.000 0.000) 7.130 24.504 ( 6.232 0.000 0.000) 6.232 25.043 ( 2.311 0.000 0.000) 2.311 25.206 ( -5.809 0.000 0.000) 5.809 25.211 ( -8.166 0.000 0.000) 8.166 25.329 ( -2.369 0.000 0.000) 2.369 25.419 ( 3.225 0.000 0.000) 3.225 25.482 ( 0.571 0.000 0.000) 0.571 25.591 ( 2.079 0.000 0.000) 2.079 25.689 ( -0.255 0.000 0.000) 0.255 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 45.112 0.000 0.000) 45.112 1.767 ( 45.817 0.000 0.000) 45.817 2.878 ( 52.547 0.000 0.000) 52.547 3.286 ( -38.772 0.000 0.000) 38.772 3.447 ( -11.542 0.000 0.000) 11.542 4.448 ( 0.807 0.000 0.000) 0.807 4.517 ( -3.164 0.000 0.000) 3.164 4.585 ( 5.177 0.000 0.000) 5.177 4.657 ( -7.666 0.000 0.000) 7.666 4.910 ( 16.430 0.000 0.000) 16.430 5.387 ( 3.613 0.000 0.000) 3.613 5.462 ( -11.711 0.000 0.000) 11.711 5.502 ( -9.130 0.000 0.000) 9.130 5.725 ( -46.965 0.000 0.000) 46.965 6.168 ( 14.764 0.000 0.000) 14.764 6.304 ( 0.377 0.000 0.000) 0.377 6.464 ( -0.061 0.000 0.000) 0.061 6.498 ( -1.466 0.000 0.000) 1.466 6.516 ( 14.427 0.000 0.000) 14.427 6.838 ( -9.422 0.000 0.000) 9.422 6.846 ( 8.592 0.000 0.000) 8.592 6.959 ( -10.440 0.000 0.000) 10.440 7.029 ( -2.323 0.000 0.000) 2.323 7.313 ( -15.784 0.000 0.000) 15.784 7.695 ( 12.464 0.000 0.000) 12.464 7.777 ( 4.831 0.000 0.000) 4.831 8.015 ( -2.221 0.000 0.000) 2.221 8.018 ( -7.246 0.000 0.000) 7.246 8.067 ( -1.340 0.000 0.000) 1.340 8.165 ( -3.633 0.000 0.000) 3.633 8.337 ( 11.809 0.000 0.000) 11.809 8.825 ( 10.745 0.000 0.000) 10.745 8.887 ( -7.179 0.000 0.000) 7.179 8.962 ( 12.893 0.000 0.000) 12.893 9.021 ( 14.773 0.000 0.000) 14.773 9.293 ( 3.900 0.000 0.000) 3.900 9.295 ( 4.085 0.000 0.000) 4.085 9.437 ( 24.852 0.000 0.000) 24.852 9.522 ( -3.332 0.000 0.000) 3.332 9.591 ( -17.782 0.000 0.000) 17.782 9.826 ( -2.778 0.000 0.000) 2.778 9.963 ( -18.637 0.000 0.000) 18.637 10.292 ( -14.702 0.000 0.000) 14.702 10.396 ( -11.382 0.000 0.000) 11.382 10.838 ( 19.222 0.000 0.000) 19.222 11.009 ( 23.670 0.000 0.000) 23.670 11.209 ( -1.688 0.000 0.000) 1.688 11.283 ( -0.151 0.000 0.000) 0.151 11.606 ( -9.884 0.000 0.000) 9.884 11.736 ( -5.910 0.000 0.000) 5.910 11.868 ( -3.641 0.000 0.000) 3.641 11.917 ( 0.087 0.000 0.000) 0.087 12.196 ( -24.436 0.000 0.000) 24.436 12.272 ( -10.398 0.000 0.000) 10.398 12.681 ( 4.536 0.000 0.000) 4.536 12.812 ( -1.992 0.000 0.000) 1.992 13.201 ( 18.786 0.000 0.000) 18.786 13.367 ( 10.211 0.000 0.000) 10.211 13.398 ( -1.895 0.000 0.000) 1.895 13.401 ( -3.029 0.000 0.000) 3.029 13.815 ( -7.155 0.000 0.000) 7.155 13.890 ( -15.678 0.000 0.000) 15.678 14.112 ( 13.806 0.000 0.000) 13.806 14.449 ( -6.709 0.000 0.000) 6.709 14.552 ( 12.022 0.000 0.000) 12.022 14.554 ( 20.462 0.000 0.000) 20.462 14.874 ( 8.459 0.000 0.000) 8.459 14.918 ( -6.221 0.000 0.000) 6.221 15.425 ( -7.727 0.000 0.000) 7.727 15.584 ( 10.127 0.000 0.000) 10.127 15.665 ( -14.661 0.000 0.000) 14.661 16.049 ( 11.115 0.000 0.000) 11.115 16.115 ( -15.086 0.000 0.000) 15.086 16.310 ( -4.761 0.000 0.000) 4.761 16.560 ( 13.625 0.000 0.000) 13.625 16.579 ( 0.053 0.000 0.000) 0.053 16.695 ( 0.051 0.000 0.000) 0.051 16.747 ( 4.466 0.000 0.000) 4.466 16.796 ( -10.270 0.000 0.000) 10.270 16.945 ( -2.361 0.000 0.000) 2.361 17.045 ( -3.097 0.000 0.000) 3.097 17.047 ( -8.914 0.000 0.000) 8.914 17.851 ( 6.612 0.000 0.000) 6.612 17.903 ( 2.492 0.000 0.000) 2.492 18.650 ( 2.938 0.000 0.000) 2.938 18.779 ( -3.485 0.000 0.000) 3.485 18.876 ( 3.825 0.000 0.000) 3.825 19.088 ( -6.682 0.000 0.000) 6.682 19.497 ( 11.671 0.000 0.000) 11.671 19.701 ( 6.972 0.000 0.000) 6.972 19.902 ( -8.228 0.000 0.000) 8.228 19.951 ( -5.799 0.000 0.000) 5.799 21.180 ( 4.518 0.000 0.000) 4.518 21.315 ( -1.811 0.000 0.000) 1.811 21.379 ( 1.859 0.000 0.000) 1.859 21.444 ( -1.361 0.000 0.000) 1.361 23.446 ( 6.490 0.000 0.000) 6.490 23.827 ( -12.033 0.000 0.000) 12.033 24.467 ( 10.398 0.000 0.000) 10.398 24.622 ( 5.514 0.000 0.000) 5.514 25.049 ( -8.432 0.000 0.000) 8.432 25.079 ( -7.301 0.000 0.000) 7.301 25.103 ( 4.014 0.000 0.000) 4.014 25.268 ( -4.072 0.000 0.000) 4.072 25.463 ( 1.665 0.000 0.000) 1.665 25.488 ( 0.083 0.000 0.000) 0.083 25.632 ( 2.064 0.000 0.000) 2.064 25.681 ( -0.664 0.000 0.000) 0.664 ======================= Grid point 3 (4/96) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( -42.894 0.000 0.000) 42.894 2.525 ( 42.894 0.000 0.000) 42.894 2.575 ( -40.533 0.000 0.000) 40.533 2.575 ( 40.533 0.000 0.000) 40.533 4.261 ( -47.264 0.000 0.000) 47.264 4.261 ( 47.264 0.000 0.000) 47.264 4.473 ( -1.825 0.000 0.000) 1.825 4.473 ( 1.825 0.000 0.000) 1.825 4.816 ( -26.162 0.000 0.000) 26.162 4.816 ( 26.162 0.000 0.000) 26.162 5.235 ( -17.613 0.000 0.000) 17.613 5.235 ( 17.613 0.000 0.000) 17.613 5.432 ( -2.762 0.000 0.000) 2.762 5.432 ( 2.762 0.000 0.000) 2.762 6.300 ( -1.658 0.000 0.000) 1.658 6.300 ( 1.658 0.000 0.000) 1.658 6.473 ( -1.038 0.000 0.000) 1.038 6.473 ( 1.038 0.000 0.000) 1.038 6.788 ( -7.645 0.000 0.000) 7.645 6.788 ( 7.645 0.000 0.000) 7.645 6.930 ( -21.980 0.000 0.000) 21.980 6.930 ( 21.980 0.000 0.000) 21.980 6.969 ( -4.651 0.000 0.000) 4.651 6.969 ( 4.651 0.000 0.000) 4.651 7.844 ( -0.103 0.000 0.000) 0.103 7.844 ( 0.103 0.000 0.000) 0.103 7.979 ( -1.095 0.000 0.000) 1.095 7.979 ( 1.095 0.000 0.000) 1.095 8.059 ( -5.458 0.000 0.000) 5.458 8.059 ( 5.458 0.000 0.000) 5.458 8.620 ( -16.094 0.000 0.000) 16.094 8.620 ( 16.094 0.000 0.000) 16.094 9.091 ( -12.860 0.000 0.000) 12.860 9.091 ( 12.860 0.000 0.000) 12.860 9.235 ( -8.823 0.000 0.000) 8.823 9.235 ( 8.823 0.000 0.000) 8.823 9.335 ( -0.705 0.000 0.000) 0.705 9.335 ( 0.705 0.000 0.000) 0.705 9.620 ( -13.848 0.000 0.000) 13.848 9.620 ( 13.848 0.000 0.000) 13.848 9.829 ( -7.188 0.000 0.000) 7.188 9.829 ( 7.188 0.000 0.000) 7.188 10.133 ( -6.317 0.000 0.000) 6.317 10.133 ( 6.317 0.000 0.000) 6.317 11.096 ( -9.342 0.000 0.000) 9.342 11.096 ( 9.342 0.000 0.000) 9.342 11.398 ( -10.310 0.000 0.000) 10.310 11.398 ( 10.310 0.000 0.000) 10.310 11.477 ( -23.411 0.000 0.000) 23.411 11.477 ( 23.411 0.000 0.000) 23.411 11.885 ( -6.720 0.000 0.000) 6.720 11.885 ( 6.720 0.000 0.000) 6.720 12.051 ( -11.871 0.000 0.000) 11.871 12.051 ( 11.871 0.000 0.000) 11.871 12.760 ( -3.661 0.000 0.000) 3.661 12.760 ( 3.661 0.000 0.000) 3.661 13.369 ( -0.538 0.000 0.000) 0.538 13.369 ( 0.538 0.000 0.000) 0.538 13.565 ( -17.643 0.000 0.000) 17.643 13.565 ( 17.643 0.000 0.000) 17.643 13.601 ( -14.711 0.000 0.000) 14.711 13.601 ( 14.711 0.000 0.000) 14.711 14.322 ( -8.613 0.000 0.000) 8.613 14.322 ( 8.613 0.000 0.000) 8.613 14.765 ( -10.271 0.000 0.000) 10.271 14.765 ( 10.271 0.000 0.000) 10.271 14.875 ( -11.475 0.000 0.000) 11.475 14.875 ( 11.475 0.000 0.000) 11.475 15.419 ( -9.531 0.000 0.000) 9.531 15.419 ( 9.531 0.000 0.000) 9.531 15.821 ( -15.250 0.000 0.000) 15.250 15.821 ( 15.250 0.000 0.000) 15.250 16.209 ( -6.423 0.000 0.000) 6.423 16.209 ( 6.423 0.000 0.000) 6.423 16.631 ( -5.168 0.000 0.000) 5.168 16.631 ( 5.168 0.000 0.000) 5.168 16.737 ( -3.626 0.000 0.000) 3.626 16.737 ( 3.626 0.000 0.000) 3.626 16.836 ( -13.108 0.000 0.000) 13.108 16.836 ( 13.108 0.000 0.000) 13.108 16.974 ( -4.118 0.000 0.000) 4.118 16.974 ( 4.118 0.000 0.000) 4.118 17.921 ( -1.054 0.000 0.000) 1.054 17.921 ( 1.054 0.000 0.000) 1.054 18.712 ( -3.620 0.000 0.000) 3.620 18.712 ( 3.620 0.000 0.000) 3.620 18.968 ( -5.990 0.000 0.000) 5.990 18.968 ( 5.990 0.000 0.000) 5.990 19.717 ( -11.428 0.000 0.000) 11.428 19.717 ( 11.428 0.000 0.000) 11.428 19.831 ( -6.970 0.000 0.000) 6.970 19.831 ( 6.970 0.000 0.000) 6.970 21.261 ( -3.901 0.000 0.000) 3.901 21.261 ( 3.901 0.000 0.000) 3.901 21.414 ( -1.811 0.000 0.000) 1.811 21.414 ( 1.811 0.000 0.000) 1.811 23.609 ( -10.836 0.000 0.000) 10.836 23.609 ( 10.836 0.000 0.000) 10.836 24.636 ( -5.708 0.000 0.000) 5.708 24.636 ( 5.708 0.000 0.000) 5.708 24.973 ( -2.135 0.000 0.000) 2.135 24.973 ( 2.135 0.000 0.000) 2.135 25.185 ( -4.663 0.000 0.000) 4.663 25.185 ( 4.663 0.000 0.000) 4.663 25.484 ( -0.623 0.000 0.000) 0.623 25.484 ( 0.623 0.000 0.000) 0.623 25.663 ( -1.319 0.000 0.000) 1.319 25.663 ( 1.319 0.000 0.000) 1.319 ======================= Grid point 7 (5/96) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 0.000 45.457 0.000) 45.457 0.958 ( 0.000 49.059 0.000) 49.059 1.499 ( 0.000 74.956 0.000) 74.956 3.945 ( 0.000 -4.795 0.000) 4.795 4.027 ( 0.000 -15.680 0.000) 15.680 4.210 ( 0.000 -23.271 0.000) 23.271 4.461 ( 0.000 -3.297 0.000) 3.297 4.787 ( 0.000 2.612 0.000) 2.612 4.813 ( 0.000 -3.459 0.000) 3.459 4.906 ( 0.000 2.985 0.000) 2.985 5.199 ( 0.000 10.271 0.000) 10.271 5.301 ( 0.000 16.496 0.000) 16.496 5.715 ( 0.000 -6.713 0.000) 6.713 5.798 ( 0.000 -3.360 0.000) 3.360 6.068 ( 0.000 -7.103 0.000) 7.103 6.267 ( 0.000 -5.920 0.000) 5.920 6.427 ( 0.000 0.317 0.000) 0.317 6.435 ( 0.000 -3.266 0.000) 3.266 6.671 ( 0.000 -11.440 0.000) 11.440 6.853 ( 0.000 -1.487 0.000) 1.487 6.948 ( 0.000 10.123 0.000) 10.123 7.313 ( 0.000 -7.265 0.000) 7.265 7.338 ( 0.000 -13.602 0.000) 13.602 7.401 ( 0.000 11.719 0.000) 11.719 7.603 ( 0.000 -1.808 0.000) 1.808 7.642 ( 0.000 3.866 0.000) 3.866 7.777 ( 0.000 4.289 0.000) 4.289 8.045 ( 0.000 -8.576 0.000) 8.576 8.308 ( 0.000 16.930 0.000) 16.930 8.313 ( 0.000 5.961 0.000) 5.961 8.416 ( 0.000 -0.689 0.000) 0.689 8.472 ( 0.000 15.230 0.000) 15.230 8.550 ( 0.000 0.580 0.000) 0.580 8.929 ( 0.000 -0.161 0.000) 0.161 8.965 ( 0.000 -12.915 0.000) 12.915 9.122 ( 0.000 7.253 0.000) 7.253 9.152 ( 0.000 14.627 0.000) 14.627 9.344 ( 0.000 11.285 0.000) 11.285 9.464 ( 0.000 -8.712 0.000) 8.712 9.913 ( 0.000 -13.537 0.000) 13.537 10.011 ( 0.000 6.975 0.000) 6.975 10.154 ( 0.000 6.050 0.000) 6.050 10.203 ( 0.000 -10.449 0.000) 10.449 10.560 ( 0.000 9.359 0.000) 9.359 10.680 ( 0.000 12.117 0.000) 12.117 10.928 ( 0.000 17.325 0.000) 17.325 11.195 ( 0.000 -11.780 0.000) 11.780 11.213 ( 0.000 -0.411 0.000) 0.411 11.448 ( 0.000 -24.374 0.000) 24.374 11.638 ( 0.000 -22.955 0.000) 22.955 11.714 ( 0.000 -5.095 0.000) 5.095 11.921 ( 0.000 -13.858 0.000) 13.858 12.178 ( 0.000 -23.431 0.000) 23.431 12.389 ( 0.000 -9.886 0.000) 9.886 12.587 ( 0.000 -11.993 0.000) 11.993 12.596 ( 0.000 -12.030 0.000) 12.030 13.123 ( 0.000 4.635 0.000) 4.635 13.493 ( 0.000 24.994 0.000) 24.994 13.655 ( 0.000 16.511 0.000) 16.511 13.671 ( 0.000 4.811 0.000) 4.811 13.725 ( 0.000 6.516 0.000) 6.516 13.891 ( 0.000 18.686 0.000) 18.686 13.925 ( 0.000 -3.377 0.000) 3.377 14.359 ( 0.000 16.455 0.000) 16.455 14.482 ( 0.000 18.327 0.000) 18.327 14.598 ( 0.000 -4.760 0.000) 4.760 15.056 ( 0.000 5.597 0.000) 5.597 15.238 ( 0.000 17.246 0.000) 17.246 15.379 ( 0.000 -4.282 0.000) 4.282 15.408 ( 0.000 4.663 0.000) 4.663 15.707 ( 0.000 -6.073 0.000) 6.073 15.843 ( 0.000 -30.690 0.000) 30.690 15.987 ( 0.000 -8.372 0.000) 8.372 16.402 ( 0.000 -8.676 0.000) 8.676 16.494 ( 0.000 -4.566 0.000) 4.566 16.587 ( 0.000 -10.387 0.000) 10.387 16.767 ( 0.000 -11.083 0.000) 11.083 16.777 ( 0.000 -6.751 0.000) 6.751 16.874 ( 0.000 9.435 0.000) 9.435 17.161 ( 0.000 3.632 0.000) 3.632 17.178 ( 0.000 6.859 0.000) 6.859 17.268 ( 0.000 5.828 0.000) 5.828 17.323 ( 0.000 19.387 0.000) 19.387 17.846 ( 0.000 1.668 0.000) 1.668 18.824 ( 0.000 3.215 0.000) 3.215 18.853 ( 0.000 0.091 0.000) 0.091 18.998 ( 0.000 -0.169 0.000) 0.169 19.210 ( 0.000 -5.131 0.000) 5.131 19.446 ( 0.000 2.446 0.000) 2.446 19.529 ( 0.000 0.967 0.000) 0.967 20.003 ( 0.000 -4.992 0.000) 4.992 20.013 ( 0.000 -5.657 0.000) 5.657 21.017 ( 0.000 0.290 0.000) 0.290 21.073 ( 0.000 -0.578 0.000) 0.578 21.328 ( 0.000 -0.303 0.000) 0.303 21.448 ( 0.000 -2.118 0.000) 2.118 23.464 ( 0.000 10.767 0.000) 10.767 24.297 ( 0.000 6.295 0.000) 6.295 24.322 ( 0.000 0.785 0.000) 0.785 24.424 ( 0.000 -0.804 0.000) 0.804 24.891 ( 0.000 -10.277 0.000) 10.277 25.331 ( 0.000 -0.604 0.000) 0.604 25.341 ( 0.000 5.130 0.000) 5.130 25.341 ( 0.000 -0.269 0.000) 0.269 25.397 ( 0.000 3.038 0.000) 3.038 25.435 ( 0.000 -5.611 0.000) 5.611 25.525 ( 0.000 -2.606 0.000) 2.606 25.666 ( 0.000 -1.674 0.000) 1.674 ======================= Grid point 8 (6/96) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 31.788 34.926 0.000) 47.226 1.381 ( 35.283 35.642 0.000) 50.152 2.024 ( 53.906 49.316 0.000) 73.061 3.873 ( -14.587 4.051 0.000) 15.139 3.901 ( -15.808 -5.770 0.000) 16.828 4.176 ( 4.938 -26.722 0.000) 27.174 4.467 ( 0.267 -4.041 0.000) 4.049 4.575 ( -16.742 -0.326 0.000) 16.746 4.776 ( -1.753 3.669 0.000) 4.066 4.841 ( 1.243 3.020 0.000) 3.266 5.333 ( 5.673 9.835 0.000) 11.354 5.549 ( 18.417 5.833 0.000) 19.318 5.608 ( -10.523 -2.663 0.000) 10.855 5.783 ( 0.605 -13.902 0.000) 13.916 6.075 ( 2.637 -4.258 0.000) 5.009 6.263 ( -0.382 -6.707 0.000) 6.718 6.396 ( -3.823 -6.009 0.000) 7.122 6.500 ( -8.956 -1.682 0.000) 9.112 6.655 ( -11.456 0.534 0.000) 11.468 6.745 ( 3.234 -15.412 0.000) 15.748 6.899 ( -1.535 13.654 0.000) 13.740 7.124 ( -13.035 -4.234 0.000) 13.705 7.323 ( 4.067 -8.023 0.000) 8.995 7.353 ( -7.205 10.343 0.000) 12.605 7.542 ( -5.187 3.061 0.000) 6.023 7.743 ( 1.672 6.015 0.000) 6.244 7.830 ( 12.291 -2.684 0.000) 12.581 7.987 ( -5.657 -10.240 0.000) 11.699 8.302 ( 0.923 10.562 0.000) 10.602 8.374 ( 2.628 14.630 0.000) 14.864 8.454 ( -5.912 8.204 0.000) 10.112 8.574 ( 13.640 -3.515 0.000) 14.086 8.709 ( 20.781 8.115 0.000) 22.310 8.810 ( -7.551 1.450 0.000) 7.689 8.969 ( -3.009 -11.229 0.000) 11.625 9.192 ( 7.801 6.456 0.000) 10.126 9.225 ( 5.995 9.982 0.000) 11.644 9.308 ( 0.741 7.663 0.000) 7.699 9.450 ( -0.019 -8.980 0.000) 8.980 9.945 ( -11.065 4.092 0.000) 11.798 9.955 ( -3.122 -15.924 0.000) 16.227 10.040 ( -7.286 8.890 0.000) 11.495 10.386 ( 18.792 -5.746 0.000) 19.651 10.533 ( -2.935 7.380 0.000) 7.942 10.772 ( 5.570 4.923 0.000) 7.434 10.798 ( -11.943 16.930 0.000) 20.719 11.224 ( 5.488 -6.100 0.000) 8.205 11.273 ( 0.850 0.672 0.000) 1.084 11.336 ( -9.358 -27.209 0.000) 28.773 11.686 ( 1.676 -23.697 0.000) 23.756 11.776 ( 2.414 -13.513 0.000) 13.727 11.891 ( -1.703 -5.724 0.000) 5.972 12.159 ( -2.747 -23.404 0.000) 23.565 12.435 ( 4.930 -8.543 0.000) 9.864 12.459 ( -10.657 -9.116 0.000) 14.024 12.678 ( 5.303 -16.569 0.000) 17.397 13.206 ( 5.656 12.850 0.000) 14.039 13.323 ( -8.167 17.545 0.000) 19.353 13.576 ( -6.813 6.684 0.000) 9.544 13.658 ( -0.844 18.448 0.000) 18.468 13.781 ( 1.580 1.238 0.000) 2.007 13.986 ( 10.180 8.820 0.000) 13.469 14.160 ( 19.271 2.859 0.000) 19.482 14.316 ( -4.980 16.362 0.000) 17.103 14.558 ( 7.439 17.435 0.000) 18.956 14.606 ( 1.013 -6.140 0.000) 6.223 14.844 ( -10.530 14.161 0.000) 17.647 15.043 ( -10.223 -1.078 0.000) 10.280 15.522 ( 1.485 3.735 0.000) 4.019 15.564 ( 4.979 5.011 0.000) 7.064 15.664 ( -13.143 -23.857 0.000) 27.238 15.795 ( 14.067 -0.288 0.000) 14.070 16.102 ( 5.450 -11.244 0.000) 12.495 16.342 ( -4.439 -10.591 0.000) 11.483 16.433 ( -1.392 0.416 0.000) 1.453 16.532 ( 2.046 -3.858 0.000) 4.367 16.739 ( -3.688 -8.371 0.000) 9.148 16.783 ( -7.750 9.165 0.000) 12.003 16.818 ( -3.529 -8.874 0.000) 9.550 17.118 ( -4.647 3.108 0.000) 5.591 17.154 ( -0.736 6.091 0.000) 6.136 17.316 ( -1.535 18.255 0.000) 18.320 17.539 ( 18.376 -5.316 0.000) 19.130 17.871 ( 2.431 1.734 0.000) 2.986 18.799 ( -3.818 6.408 0.000) 7.459 18.835 ( -1.812 0.440 0.000) 1.864 18.917 ( -4.030 7.542 0.000) 8.551 19.177 ( -3.456 -2.914 0.000) 4.520 19.349 ( 0.745 3.536 0.000) 3.614 19.563 ( 3.444 -1.333 0.000) 3.693 19.967 ( -3.917 -4.941 0.000) 6.305 19.979 ( -3.599 -5.954 0.000) 6.957 21.106 ( 3.470 -0.233 0.000) 3.478 21.202 ( 10.023 -7.290 0.000) 12.394 21.328 ( -0.135 -0.295 0.000) 0.325 21.441 ( -0.739 -2.097 0.000) 2.224 23.482 ( 2.291 11.065 0.000) 11.300 24.177 ( -11.978 7.902 0.000) 14.350 24.364 ( 6.929 6.078 0.000) 9.217 24.491 ( 6.069 -1.514 0.000) 6.255 24.892 ( -0.074 -11.018 0.000) 11.018 25.234 ( -8.506 1.806 0.000) 8.695 25.303 ( -3.306 6.022 0.000) 6.870 25.327 ( -2.026 -0.027 0.000) 2.026 25.422 ( 2.109 0.484 0.000) 2.164 25.439 ( 0.433 -5.591 0.000) 5.608 25.547 ( 1.861 -2.982 0.000) 3.516 25.630 ( -1.923 -3.739 0.000) 4.204 ======================= Grid point 9 (7/96) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 38.738 20.269 0.000) 43.720 2.044 ( 36.753 28.818 0.000) 46.704 3.117 ( 39.430 23.400 0.000) 45.850 3.428 ( -32.560 11.722 0.000) 34.605 3.501 ( -3.986 5.649 0.000) 6.914 4.359 ( 8.245 -10.236 0.000) 13.143 4.412 ( -3.062 -8.344 0.000) 8.888 4.507 ( 8.176 -7.529 0.000) 11.114 4.709 ( -6.814 4.869 0.000) 8.375 4.911 ( 6.825 1.482 0.000) 6.984 5.356 ( -15.249 -9.426 0.000) 17.927 5.445 ( 5.266 5.408 0.000) 7.548 5.599 ( -14.046 7.661 0.000) 15.999 5.757 ( -31.134 -3.390 0.000) 31.318 6.002 ( 1.566 -14.398 0.000) 14.483 6.197 ( 7.704 -0.734 0.000) 7.739 6.254 ( -1.631 -9.357 0.000) 9.498 6.304 ( -4.912 -10.052 0.000) 11.187 6.715 ( 0.417 -8.952 0.000) 8.962 6.762 ( -0.701 -14.325 0.000) 14.342 6.880 ( 6.301 9.757 0.000) 11.615 7.036 ( 1.529 16.107 0.000) 16.179 7.184 ( -8.897 11.563 0.000) 14.590 7.423 ( -10.242 7.318 0.000) 12.588 7.483 ( 12.020 -11.527 0.000) 16.654 7.769 ( -0.553 -0.749 0.000) 0.931 7.869 ( -4.616 -4.949 0.000) 6.768 7.941 ( -1.761 -3.764 0.000) 4.155 8.367 ( 6.750 9.690 0.000) 11.810 8.405 ( -0.051 14.181 0.000) 14.181 8.406 ( 2.803 14.647 0.000) 14.913 8.806 ( -2.640 -6.551 0.000) 7.063 8.819 ( 8.949 -0.835 0.000) 8.988 8.889 ( 6.868 -7.729 0.000) 10.340 9.054 ( 13.763 3.976 0.000) 14.325 9.284 ( 0.742 -1.394 0.000) 1.579 9.298 ( 2.272 -1.240 0.000) 2.589 9.504 ( 4.164 -1.174 0.000) 4.326 9.512 ( 19.349 5.919 0.000) 20.234 9.636 ( -19.433 4.633 0.000) 19.978 9.832 ( -6.898 -4.714 0.000) 8.355 9.943 ( -1.469 11.663 0.000) 11.755 10.421 ( -16.068 5.972 0.000) 17.142 10.423 ( -10.694 1.986 0.000) 10.877 10.834 ( 2.089 -8.196 0.000) 8.458 10.841 ( 16.135 2.431 0.000) 16.318 11.130 ( -12.161 -29.819 0.000) 32.203 11.198 ( -5.026 -4.545 0.000) 6.776 11.460 ( 16.682 6.930 0.000) 18.064 11.719 ( 3.962 -19.132 0.000) 19.538 11.795 ( 1.469 -2.991 0.000) 3.332 11.859 ( -2.730 -2.850 0.000) 3.946 12.058 ( -7.993 -20.671 0.000) 22.162 12.221 ( -15.240 0.770 0.000) 15.259 12.541 ( 5.724 -8.895 0.000) 10.577 12.709 ( -2.504 -11.446 0.000) 11.716 13.204 ( 3.023 9.105 0.000) 9.594 13.420 ( 8.859 8.392 0.000) 12.203 13.446 ( -6.961 3.881 0.000) 7.970 13.686 ( 6.078 19.725 0.000) 20.640 13.726 ( -7.405 0.048 0.000) 7.405 14.152 ( -12.280 17.078 0.000) 21.035 14.210 ( 12.969 6.953 0.000) 14.716 14.538 ( 20.231 -0.001 0.000) 20.231 14.599 ( -4.255 9.086 0.000) 10.033 14.716 ( 8.342 13.870 0.000) 16.185 14.750 ( 0.436 -5.950 0.000) 5.966 14.966 ( -0.176 0.584 0.000) 0.610 15.390 ( -10.030 -3.191 0.000) 10.526 15.421 ( -12.140 -20.260 0.000) 23.619 15.651 ( 5.222 6.809 0.000) 8.581 16.059 ( -10.304 -3.677 0.000) 10.940 16.102 ( 15.679 5.611 0.000) 16.653 16.335 ( 4.343 -14.187 0.000) 14.836 16.495 ( -6.728 7.087 0.000) 9.772 16.513 ( 5.024 -4.609 0.000) 6.818 16.642 ( -5.047 -12.910 0.000) 13.862 16.692 ( -1.069 -3.221 0.000) 3.393 16.761 ( 0.301 2.680 0.000) 2.697 17.001 ( -7.576 1.285 0.000) 7.684 17.147 ( 0.096 9.467 0.000) 9.468 17.253 ( -4.837 17.848 0.000) 18.492 17.801 ( 9.810 -4.437 0.000) 10.767 17.916 ( 1.767 0.962 0.000) 2.012 18.737 ( -1.263 7.205 0.000) 7.315 18.792 ( -2.655 1.568 0.000) 3.083 18.921 ( 2.779 4.330 0.000) 5.145 19.093 ( -5.220 0.359 0.000) 5.232 19.466 ( 9.612 -2.623 0.000) 9.964 19.643 ( 4.750 -5.060 0.000) 6.940 19.861 ( -7.144 -4.280 0.000) 8.328 19.891 ( -5.530 -6.039 0.000) 8.189 21.185 ( 4.725 0.430 0.000) 4.744 21.314 ( -1.539 -0.061 0.000) 1.540 21.324 ( 4.267 -4.324 0.000) 6.075 21.420 ( -1.536 -2.164 0.000) 2.654 23.561 ( 6.522 11.303 0.000) 13.050 23.945 ( -12.684 10.160 0.000) 16.252 24.533 ( 10.561 6.206 0.000) 12.250 24.614 ( 6.653 -1.650 0.000) 6.854 24.876 ( -1.901 -12.138 0.000) 12.286 25.044 ( -11.329 0.500 0.000) 11.340 25.251 ( -1.665 6.795 0.000) 6.996 25.288 ( -2.271 1.474 0.000) 2.708 25.449 ( 0.521 -4.832 0.000) 4.860 25.450 ( 0.849 -1.331 0.000) 1.579 25.578 ( 1.357 -4.229 0.000) 4.441 25.608 ( -0.691 -6.011 0.000) 6.051 ======================= Grid point 10 (8/96) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( -7.737 12.007 0.000) 14.283 2.608 ( 7.737 12.007 0.000) 14.283 2.849 ( -8.045 21.266 0.000) 22.737 2.849 ( 8.045 21.266 0.000) 22.737 4.319 ( -30.631 3.655 0.000) 30.849 4.319 ( 30.631 3.655 0.000) 30.849 4.430 ( -10.925 -2.585 0.000) 11.227 4.430 ( 10.925 -2.585 0.000) 11.227 4.858 ( -32.406 2.690 0.000) 32.517 4.858 ( 32.406 2.690 0.000) 32.517 5.097 ( -13.492 -8.427 0.000) 15.907 5.097 ( 13.492 -8.427 0.000) 15.907 5.539 ( -5.663 6.695 0.000) 8.769 5.539 ( 5.663 6.695 0.000) 8.769 6.140 ( -8.140 -20.422 0.000) 21.984 6.140 ( 8.140 -20.422 0.000) 21.984 6.276 ( -0.914 -3.710 0.000) 3.821 6.276 ( 0.914 -3.710 0.000) 3.821 6.734 ( -2.100 -11.512 0.000) 11.702 6.734 ( 2.100 -11.512 0.000) 11.702 7.045 ( -7.061 9.464 0.000) 11.808 7.045 ( 7.061 9.464 0.000) 11.808 7.166 ( -14.056 16.858 0.000) 21.949 7.166 ( 14.056 16.858 0.000) 21.949 7.694 ( -8.690 -11.528 0.000) 14.436 7.694 ( 8.690 -11.528 0.000) 14.436 7.861 ( -3.763 0.396 0.000) 3.784 7.861 ( 3.763 0.396 0.000) 3.784 8.404 ( -0.480 18.041 0.000) 18.047 8.404 ( 0.480 18.041 0.000) 18.047 8.602 ( -13.105 -0.792 0.000) 13.129 8.602 ( 13.105 -0.792 0.000) 13.129 8.997 ( -4.129 -8.809 0.000) 9.728 8.997 ( 4.129 -8.809 0.000) 9.728 9.248 ( -7.432 -0.947 0.000) 7.492 9.248 ( 7.432 -0.947 0.000) 7.492 9.351 ( -6.757 0.079 0.000) 6.758 9.351 ( 6.757 0.079 0.000) 6.758 9.584 ( -6.399 3.143 0.000) 7.129 9.584 ( 6.399 3.143 0.000) 7.129 9.963 ( -7.381 9.945 0.000) 12.385 9.963 ( 7.381 9.945 0.000) 12.385 10.197 ( -1.790 5.703 0.000) 5.977 10.197 ( 1.790 5.703 0.000) 5.977 10.920 ( -7.972 -22.108 0.000) 23.501 10.920 ( 7.972 -22.108 0.000) 23.501 11.081 ( -8.177 -3.575 0.000) 8.924 11.081 ( 8.177 -3.575 0.000) 8.924 11.759 ( -10.332 -10.998 0.000) 15.090 11.759 ( 10.332 -10.998 0.000) 15.090 11.838 ( -3.578 -7.534 0.000) 8.340 11.838 ( 3.578 -7.534 0.000) 8.340 11.943 ( -6.780 8.064 0.000) 10.536 11.943 ( 6.780 8.064 0.000) 10.536 12.636 ( -4.585 -9.504 0.000) 10.553 12.636 ( 4.585 -9.504 0.000) 10.553 13.318 ( -7.134 0.102 0.000) 7.135 13.318 ( 7.134 0.102 0.000) 7.135 13.564 ( -8.312 6.167 0.000) 10.350 13.564 ( 8.312 6.167 0.000) 10.350 13.895 ( -14.399 18.470 0.000) 23.419 13.895 ( 14.399 18.470 0.000) 23.419 14.440 ( -11.334 8.906 0.000) 14.415 14.440 ( 11.334 8.906 0.000) 14.415 14.790 ( -0.931 -3.997 0.000) 4.104 14.790 ( 0.931 -3.997 0.000) 4.104 14.876 ( -11.490 4.444 0.000) 12.320 14.876 ( 11.490 4.444 0.000) 12.320 15.275 ( -1.112 -10.257 0.000) 10.317 15.275 ( 1.112 -10.257 0.000) 10.317 15.822 ( -12.881 0.639 0.000) 12.897 15.822 ( 12.881 0.639 0.000) 12.897 16.337 ( -10.060 8.768 0.000) 13.345 16.337 ( 10.060 8.768 0.000) 13.345 16.448 ( -7.078 -11.478 0.000) 13.485 16.448 ( 7.078 -11.478 0.000) 13.485 16.668 ( -2.770 -7.743 0.000) 8.223 16.668 ( 2.770 -7.743 0.000) 8.223 16.850 ( -8.057 0.876 0.000) 8.104 16.850 ( 8.057 0.876 0.000) 8.104 17.172 ( -3.025 15.324 0.000) 15.620 17.172 ( 3.025 15.324 0.000) 15.620 17.913 ( -2.678 -1.249 0.000) 2.955 17.913 ( 2.678 -1.249 0.000) 2.955 18.747 ( -1.880 3.735 0.000) 4.182 18.747 ( 1.880 3.735 0.000) 4.182 18.996 ( -4.986 2.608 0.000) 5.626 18.996 ( 4.986 2.608 0.000) 5.626 19.647 ( -7.992 -6.177 0.000) 10.101 19.647 ( 7.992 -6.177 0.000) 10.101 19.793 ( -3.626 -4.205 0.000) 5.552 19.793 ( 3.626 -4.205 0.000) 5.552 21.266 ( -3.683 0.394 0.000) 3.704 21.266 ( 3.683 0.394 0.000) 3.704 21.384 ( -2.450 -2.650 0.000) 3.609 21.384 ( 2.450 -2.650 0.000) 3.609 23.724 ( -10.755 10.895 0.000) 15.309 23.724 ( 10.755 10.895 0.000) 15.309 24.689 ( -2.020 4.344 0.000) 4.791 24.689 ( 2.020 4.344 0.000) 4.791 24.864 ( -4.731 -8.334 0.000) 9.583 24.864 ( 4.731 -8.334 0.000) 9.583 25.250 ( -1.392 4.568 0.000) 4.776 25.250 ( 1.392 4.568 0.000) 4.776 25.456 ( -0.137 -3.254 0.000) 3.257 25.456 ( 0.137 -3.254 0.000) 3.257 25.597 ( -0.667 -5.641 0.000) 5.681 25.597 ( 0.667 -5.641 0.000) 5.681 ======================= Grid point 14 (9/96) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 0.000 44.412 0.000) 44.412 1.903 ( 0.000 47.682 0.000) 47.682 2.854 ( 0.000 58.540 0.000) 58.540 3.456 ( 0.000 -30.599 0.000) 30.599 3.544 ( 0.000 -32.867 0.000) 32.867 4.137 ( 0.000 5.688 0.000) 5.688 4.363 ( 0.000 -7.031 0.000) 7.031 4.654 ( 0.000 -15.318 0.000) 15.318 4.866 ( 0.000 5.390 0.000) 5.390 5.005 ( 0.000 4.726 0.000) 4.726 5.372 ( 0.000 3.923 0.000) 3.923 5.456 ( 0.000 -12.523 0.000) 12.523 5.545 ( 0.000 8.412 0.000) 8.412 5.830 ( 0.000 9.723 0.000) 9.723 5.978 ( 0.000 -19.732 0.000) 19.732 6.138 ( 0.000 7.993 0.000) 7.993 6.395 ( 0.000 -3.760 0.000) 3.760 6.399 ( 0.000 0.628 0.000) 0.628 6.548 ( 0.000 -3.487 0.000) 3.487 6.566 ( 0.000 -20.912 0.000) 20.912 7.107 ( 0.000 1.977 0.000) 1.977 7.200 ( 0.000 -4.263 0.000) 4.263 7.330 ( 0.000 10.619 0.000) 10.619 7.595 ( 0.000 5.612 0.000) 5.612 7.601 ( 0.000 0.890 0.000) 0.890 7.650 ( 0.000 -2.870 0.000) 2.870 7.862 ( 0.000 5.056 0.000) 5.056 7.911 ( 0.000 -1.505 0.000) 1.505 8.372 ( 0.000 -3.976 0.000) 3.976 8.465 ( 0.000 -10.159 0.000) 10.159 8.467 ( 0.000 8.569 0.000) 8.569 8.534 ( 0.000 7.559 0.000) 7.559 8.861 ( 0.000 4.491 0.000) 4.491 8.899 ( 0.000 17.563 0.000) 17.563 8.949 ( 0.000 10.582 0.000) 10.582 9.217 ( 0.000 -2.522 0.000) 2.522 9.255 ( 0.000 -11.128 0.000) 11.128 9.532 ( 0.000 21.808 0.000) 21.808 9.648 ( 0.000 18.216 0.000) 18.216 9.661 ( 0.000 -8.179 0.000) 8.179 10.015 ( 0.000 -8.895 0.000) 8.895 10.141 ( 0.000 0.546 0.000) 0.546 10.299 ( 0.000 8.862 0.000) 8.862 10.570 ( 0.000 5.427 0.000) 5.427 10.869 ( 0.000 -18.740 0.000) 18.740 10.959 ( 0.000 -23.116 0.000) 23.116 11.073 ( 0.000 -29.336 0.000) 29.336 11.157 ( 0.000 -7.884 0.000) 7.884 11.179 ( 0.000 27.402 0.000) 27.402 11.241 ( 0.000 14.137 0.000) 14.137 11.620 ( 0.000 -4.215 0.000) 4.215 11.694 ( 0.000 -11.006 0.000) 11.006 11.723 ( 0.000 -18.450 0.000) 18.450 12.111 ( 0.000 -18.228 0.000) 18.228 12.305 ( 0.000 -11.812 0.000) 11.812 12.377 ( 0.000 -10.009 0.000) 10.009 13.323 ( 0.000 11.904 0.000) 11.904 13.680 ( 0.000 -4.455 0.000) 4.455 13.759 ( 0.000 4.086 0.000) 4.086 13.827 ( 0.000 2.629 0.000) 2.629 14.058 ( 0.000 22.163 0.000) 22.163 14.079 ( 0.000 16.225 0.000) 16.225 14.226 ( 0.000 15.554 0.000) 15.554 14.613 ( 0.000 6.300 0.000) 6.300 14.703 ( 0.000 15.438 0.000) 15.438 14.899 ( 0.000 23.135 0.000) 23.135 15.135 ( 0.000 0.088 0.000) 0.088 15.234 ( 0.000 -31.228 0.000) 31.228 15.332 ( 0.000 2.566 0.000) 2.566 15.383 ( 0.000 -0.169 0.000) 0.169 15.527 ( 0.000 -8.377 0.000) 8.377 15.730 ( 0.000 -17.352 0.000) 17.352 15.733 ( 0.000 21.184 0.000) 21.184 16.272 ( 0.000 -4.614 0.000) 4.614 16.345 ( 0.000 -8.276 0.000) 8.276 16.406 ( 0.000 -7.641 0.000) 7.641 16.544 ( 0.000 -10.661 0.000) 10.661 16.555 ( 0.000 -14.606 0.000) 14.606 17.040 ( 0.000 7.317 0.000) 7.317 17.193 ( 0.000 -0.194 0.000) 0.194 17.307 ( 0.000 5.485 0.000) 5.485 17.358 ( 0.000 2.950 0.000) 2.950 17.690 ( 0.000 15.290 0.000) 15.290 17.884 ( 0.000 1.709 0.000) 1.709 18.872 ( 0.000 2.291 0.000) 2.291 18.899 ( 0.000 3.916 0.000) 3.916 18.990 ( 0.000 -0.809 0.000) 0.809 19.085 ( 0.000 -7.176 0.000) 7.176 19.526 ( 0.000 5.961 0.000) 5.961 19.574 ( 0.000 4.103 0.000) 4.103 19.863 ( 0.000 -9.236 0.000) 9.236 19.866 ( 0.000 -8.570 0.000) 8.570 21.026 ( 0.000 0.609 0.000) 0.609 21.058 ( 0.000 -0.896 0.000) 0.896 21.327 ( 0.000 0.440 0.000) 0.440 21.397 ( 0.000 -2.781 0.000) 2.781 23.746 ( 0.000 17.316 0.000) 17.316 24.343 ( 0.000 1.361 0.000) 1.361 24.360 ( 0.000 -5.269 0.000) 5.269 24.402 ( 0.000 -1.381 0.000) 1.381 24.761 ( 0.000 2.258 0.000) 2.258 25.240 ( 0.000 -13.188 0.000) 13.188 25.325 ( 0.000 -0.025 0.000) 0.025 25.335 ( 0.000 -0.382 0.000) 0.382 25.426 ( 0.000 3.396 0.000) 3.396 25.467 ( 0.000 4.025 0.000) 4.025 25.498 ( 0.000 -0.908 0.000) 0.908 25.619 ( 0.000 -3.131 0.000) 3.131 ======================= Grid point 15 (10/96) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 17.421 42.146 0.000) 45.604 2.085 ( 28.972 37.191 0.000) 47.144 3.098 ( 26.389 49.685 0.000) 56.258 3.558 ( 0.753 -28.338 0.000) 28.348 3.586 ( 10.965 -27.914 0.000) 29.990 3.985 ( -10.762 6.589 0.000) 12.619 4.367 ( -0.330 -5.778 0.000) 5.787 4.720 ( -20.023 12.928 0.000) 23.834 4.782 ( 10.504 -10.276 0.000) 14.695 4.892 ( -1.424 8.375 0.000) 8.495 5.347 ( -2.328 -17.955 0.000) 18.105 5.432 ( -8.664 -12.540 0.000) 15.242 5.520 ( -1.619 7.190 0.000) 7.370 5.861 ( 4.198 15.230 0.000) 15.798 5.961 ( -1.307 -20.610 0.000) 20.651 6.148 ( 1.276 6.421 0.000) 6.546 6.317 ( -8.019 -0.270 0.000) 8.023 6.432 ( -3.113 -4.854 0.000) 5.767 6.535 ( -4.538 -13.302 0.000) 14.055 6.544 ( -0.867 -7.423 0.000) 7.474 7.009 ( -7.028 1.760 0.000) 7.245 7.079 ( -2.871 1.037 0.000) 3.053 7.386 ( 4.031 9.836 0.000) 10.630 7.535 ( -5.994 6.850 0.000) 9.102 7.574 ( -2.885 1.588 0.000) 3.293 7.751 ( 7.269 -5.893 0.000) 9.358 7.872 ( -0.208 3.186 0.000) 3.192 7.883 ( -1.597 2.513 0.000) 2.978 8.436 ( 6.073 -6.781 0.000) 9.103 8.468 ( 1.566 8.528 0.000) 8.671 8.511 ( 5.305 -6.238 0.000) 8.188 8.613 ( 4.458 5.507 0.000) 7.085 8.849 ( -5.651 4.181 0.000) 7.030 8.869 ( -0.537 4.229 0.000) 4.263 9.022 ( 10.495 22.179 0.000) 24.537 9.221 ( -1.495 -7.290 0.000) 7.441 9.242 ( -1.894 -10.620 0.000) 10.787 9.511 ( -0.678 11.971 0.000) 11.990 9.515 ( 0.129 17.354 0.000) 17.354 9.776 ( 4.797 -0.796 0.000) 4.863 9.983 ( -13.794 -1.879 0.000) 13.921 10.232 ( 16.571 -9.439 0.000) 19.071 10.310 ( -0.829 17.238 0.000) 17.258 10.590 ( -1.528 2.153 0.000) 2.640 10.807 ( -11.618 -22.237 0.000) 25.089 10.878 ( -8.368 -3.143 0.000) 8.939 10.974 ( 5.123 -9.416 0.000) 10.719 11.100 ( -7.355 0.256 0.000) 7.360 11.184 ( 3.085 -11.128 0.000) 11.547 11.375 ( 1.129 1.484 0.000) 1.865 11.556 ( -1.239 -12.588 0.000) 12.649 11.729 ( 1.079 -11.902 0.000) 11.950 11.765 ( 6.350 -5.682 0.000) 8.521 12.235 ( 9.907 -12.765 0.000) 16.159 12.284 ( -5.181 -7.934 0.000) 9.476 12.367 ( 3.710 -11.791 0.000) 12.361 13.434 ( 10.126 11.340 0.000) 15.203 13.645 ( -5.190 8.254 0.000) 9.750 13.696 ( -5.816 6.003 0.000) 8.358 13.833 ( -0.879 1.653 0.000) 1.872 14.068 ( 1.973 19.082 0.000) 19.183 14.099 ( 3.946 12.306 0.000) 12.923 14.314 ( 8.700 7.041 0.000) 11.192 14.520 ( -6.371 2.742 0.000) 6.936 14.700 ( -1.698 16.663 0.000) 16.750 14.895 ( -16.432 -9.510 0.000) 18.986 14.958 ( 4.949 21.714 0.000) 22.271 15.136 ( -8.015 -27.619 0.000) 28.758 15.152 ( -6.887 10.966 0.000) 12.950 15.484 ( -2.559 -2.702 0.000) 3.722 15.763 ( 9.903 11.778 0.000) 15.388 15.812 ( 7.120 -18.380 0.000) 19.711 15.847 ( 16.633 3.320 0.000) 16.961 16.209 ( -5.317 -2.930 0.000) 6.071 16.345 ( -3.160 -9.913 0.000) 10.405 16.381 ( 2.513 -9.192 0.000) 9.529 16.468 ( -1.961 -8.821 0.000) 9.036 16.675 ( 4.762 -9.899 0.000) 10.985 16.965 ( -7.315 8.304 0.000) 11.067 17.139 ( -5.583 -0.606 0.000) 5.616 17.307 ( 1.414 7.775 0.000) 7.903 17.483 ( 10.944 -2.035 0.000) 11.131 17.668 ( -2.559 15.230 0.000) 15.443 17.903 ( 1.543 0.884 0.000) 1.778 18.865 ( -0.616 3.061 0.000) 3.123 18.897 ( -0.331 4.528 0.000) 4.540 18.995 ( 0.370 0.779 0.000) 0.863 19.088 ( 0.177 -6.016 0.000) 6.019 19.451 ( -4.825 7.059 0.000) 8.550 19.566 ( -0.693 2.460 0.000) 2.555 19.820 ( -4.220 -9.794 0.000) 10.664 19.832 ( -3.632 -8.407 0.000) 9.158 21.100 ( 4.714 -0.226 0.000) 4.720 21.122 ( 7.487 -1.898 0.000) 7.724 21.327 ( -0.135 0.377 0.000) 0.400 21.392 ( -0.599 -2.650 0.000) 2.717 23.770 ( 2.723 17.573 0.000) 17.783 24.292 ( -5.316 4.671 0.000) 7.076 24.412 ( 5.368 -7.137 0.000) 8.931 24.444 ( 4.019 -3.106 0.000) 5.079 24.763 ( 0.194 3.501 0.000) 3.506 25.248 ( 0.891 -12.903 0.000) 12.934 25.269 ( -5.906 1.724 0.000) 6.153 25.323 ( -2.047 -0.689 0.000) 2.160 25.403 ( -1.949 4.118 0.000) 4.556 25.447 ( -1.240 2.217 0.000) 2.540 25.506 ( 0.557 -1.697 0.000) 1.786 25.565 ( -4.378 -3.157 0.000) 5.398 ======================= Grid point 16 (11/96) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 25.899 30.664 0.000) 40.138 2.644 ( 28.851 30.728 0.000) 42.150 3.495 ( -19.689 1.746 0.000) 19.766 3.511 ( -8.278 -9.558 0.000) 12.644 3.772 ( 42.066 22.384 0.000) 47.651 4.109 ( 19.771 -8.178 0.000) 21.396 4.368 ( -14.153 8.658 0.000) 16.591 4.378 ( 5.824 -1.137 0.000) 5.934 4.839 ( -8.221 7.933 0.000) 11.424 4.959 ( 7.860 0.681 0.000) 7.889 5.095 ( -16.544 -16.508 0.000) 23.372 5.410 ( 1.734 -20.068 0.000) 20.143 5.509 ( 0.161 -0.790 0.000) 0.806 5.787 ( -19.928 10.857 0.000) 22.694 5.962 ( 2.128 -20.712 0.000) 20.821 6.074 ( -18.050 10.831 0.000) 21.050 6.143 ( -9.319 -0.924 0.000) 9.365 6.174 ( -1.733 -3.898 0.000) 4.266 6.503 ( -1.543 -11.473 0.000) 11.576 6.515 ( -1.858 -11.477 0.000) 11.627 7.033 ( 8.793 6.843 0.000) 11.142 7.178 ( 10.555 -1.596 0.000) 10.675 7.404 ( -7.642 9.525 0.000) 12.211 7.482 ( 6.764 9.895 0.000) 11.986 7.498 ( -5.314 1.268 0.000) 5.463 7.796 ( -7.387 4.141 0.000) 8.468 7.840 ( 1.990 -6.792 0.000) 7.078 7.880 ( -0.373 2.953 0.000) 2.976 8.503 ( 2.313 7.867 0.000) 8.200 8.515 ( 3.154 -3.386 0.000) 4.627 8.680 ( 9.657 -10.172 0.000) 14.026 8.695 ( 4.616 8.274 0.000) 9.474 8.792 ( 0.018 -0.166 0.000) 0.167 8.823 ( -3.556 8.387 0.000) 9.110 9.145 ( -4.701 -10.564 0.000) 11.563 9.180 ( -4.241 -8.107 0.000) 9.149 9.239 ( 11.004 13.474 0.000) 17.397 9.579 ( 5.995 6.896 0.000) 9.137 9.634 ( 9.118 4.903 0.000) 10.353 9.701 ( -15.373 1.324 0.000) 15.430 9.902 ( 10.387 8.010 0.000) 13.117 10.256 ( -3.397 19.271 0.000) 19.568 10.442 ( 3.407 -3.556 0.000) 4.925 10.470 ( -9.824 3.389 0.000) 10.392 10.584 ( -10.569 -19.269 0.000) 21.977 10.736 ( -8.042 -2.702 0.000) 8.484 10.998 ( -0.047 9.480 0.000) 9.480 11.074 ( 1.210 -8.073 0.000) 8.163 11.272 ( 5.438 -22.257 0.000) 22.912 11.349 ( 3.491 -11.243 0.000) 11.773 11.517 ( -5.102 -25.630 0.000) 26.133 11.667 ( -7.560 -14.876 0.000) 16.687 11.980 ( 13.842 11.771 0.000) 18.170 12.223 ( -0.991 0.544 0.000) 1.130 12.389 ( 5.832 -7.867 0.000) 9.793 12.445 ( 3.100 -12.429 0.000) 12.810 13.517 ( -6.012 17.528 0.000) 18.530 13.568 ( -7.148 8.985 0.000) 11.482 13.623 ( 7.920 10.638 0.000) 13.262 13.782 ( -3.727 2.945 0.000) 4.750 14.086 ( 4.006 20.843 0.000) 21.225 14.297 ( 12.922 2.396 0.000) 13.143 14.436 ( -6.514 5.235 0.000) 8.357 14.515 ( 12.115 -3.941 0.000) 12.740 14.570 ( -5.244 0.911 0.000) 5.323 14.723 ( -6.676 -3.218 0.000) 7.411 14.913 ( -8.128 -14.044 0.000) 16.227 15.046 ( -5.541 2.970 0.000) 6.287 15.133 ( 6.653 11.503 0.000) 13.289 15.362 ( -7.520 6.976 0.000) 10.257 15.849 ( 0.559 11.351 0.000) 11.364 15.925 ( 2.680 -15.399 0.000) 15.630 16.110 ( 8.192 -10.160 0.000) 13.051 16.114 ( -2.930 -1.476 0.000) 3.281 16.380 ( 5.831 -11.655 0.000) 13.032 16.421 ( 1.600 -10.287 0.000) 10.411 16.469 ( 3.003 3.618 0.000) 4.702 16.739 ( 3.705 -4.431 0.000) 5.776 16.801 ( -9.794 9.281 0.000) 13.493 17.005 ( -8.394 -1.101 0.000) 8.466 17.362 ( 4.565 11.216 0.000) 12.110 17.591 ( -5.730 15.331 0.000) 16.367 17.697 ( 10.834 -6.149 0.000) 12.458 17.916 ( -0.878 -1.786 0.000) 1.990 18.854 ( -0.391 5.089 0.000) 5.104 18.879 ( -1.499 6.908 0.000) 7.068 19.008 ( 1.369 2.909 0.000) 3.215 19.081 ( -1.173 -2.528 0.000) 2.786 19.437 ( 3.432 1.160 0.000) 3.623 19.557 ( -0.147 -2.063 0.000) 2.069 19.731 ( -4.762 -9.795 0.000) 10.891 19.741 ( -5.712 -7.573 0.000) 9.485 21.195 ( 5.139 0.625 0.000) 5.177 21.251 ( 5.708 -2.827 0.000) 6.369 21.316 ( -1.200 0.381 0.000) 1.259 21.373 ( -1.551 -2.397 0.000) 2.855 23.851 ( 6.039 17.448 0.000) 18.463 24.157 ( -8.769 10.945 0.000) 14.025 24.529 ( 4.564 -7.015 0.000) 8.369 24.535 ( 6.590 -13.289 0.000) 14.833 24.776 ( 2.012 8.799 0.000) 9.026 25.097 ( -11.571 4.730 0.000) 12.501 25.269 ( 1.154 -11.295 0.000) 11.354 25.292 ( -0.973 -2.161 0.000) 2.369 25.372 ( -0.977 4.203 0.000) 4.315 25.424 ( -2.010 -0.416 0.000) 2.053 25.505 ( -1.410 -3.945 0.000) 4.190 25.510 ( -0.177 -2.922 0.000) 2.928 ======================= Grid point 17 (12/96) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( -15.306 20.326 0.000) 25.444 2.944 ( 15.306 20.326 0.000) 25.444 3.246 ( -12.249 15.250 0.000) 19.560 3.246 ( 12.249 15.250 0.000) 19.560 4.241 ( -1.758 -6.413 0.000) 6.650 4.241 ( 1.758 -6.413 0.000) 6.650 4.460 ( -29.684 -3.915 0.000) 29.941 4.460 ( 29.684 -3.915 0.000) 29.941 4.827 ( -25.152 2.491 0.000) 25.275 4.827 ( 25.152 2.491 0.000) 25.275 5.149 ( -21.426 9.576 0.000) 23.468 5.149 ( 21.426 9.576 0.000) 23.468 5.505 ( -0.404 -9.369 0.000) 9.377 5.505 ( 0.404 -9.369 0.000) 9.377 5.982 ( -1.590 5.775 0.000) 5.990 5.982 ( 1.590 5.775 0.000) 5.990 6.088 ( -5.375 -15.271 0.000) 16.190 6.088 ( 5.375 -15.271 0.000) 16.190 6.490 ( -0.501 -12.360 0.000) 12.370 6.490 ( 0.501 -12.360 0.000) 12.370 7.240 ( -10.813 9.202 0.000) 14.199 7.240 ( 10.813 9.202 0.000) 14.199 7.366 ( -9.021 1.666 0.000) 9.173 7.366 ( 9.021 1.666 0.000) 9.173 7.634 ( -9.046 6.305 0.000) 11.027 7.634 ( 9.046 6.305 0.000) 11.027 7.860 ( -1.215 -1.460 0.000) 1.900 7.860 ( 1.215 -1.460 0.000) 1.900 8.544 ( -0.780 1.137 0.000) 1.379 8.544 ( 0.780 1.137 0.000) 1.379 8.743 ( -1.493 8.054 0.000) 8.192 8.743 ( 1.493 8.054 0.000) 8.192 8.811 ( -0.720 -6.032 0.000) 6.075 8.811 ( 0.720 -6.032 0.000) 6.075 9.113 ( -1.931 -9.623 0.000) 9.815 9.113 ( 1.931 -9.623 0.000) 9.815 9.439 ( -11.700 7.928 0.000) 14.133 9.439 ( 11.700 7.928 0.000) 14.133 9.689 ( -3.057 2.536 0.000) 3.972 9.689 ( 3.057 2.536 0.000) 3.972 10.156 ( -12.589 9.288 0.000) 15.645 10.156 ( 12.589 9.288 0.000) 15.645 10.356 ( -3.481 10.544 0.000) 11.104 10.356 ( 3.481 10.544 0.000) 11.104 10.574 ( -6.778 -10.518 0.000) 12.513 10.574 ( 6.778 -10.518 0.000) 12.513 11.048 ( -2.958 -0.243 0.000) 2.968 11.048 ( 2.958 -0.243 0.000) 2.968 11.392 ( -7.377 -25.559 0.000) 26.602 11.392 ( 7.377 -25.559 0.000) 26.602 11.495 ( -9.903 -15.311 0.000) 18.234 11.495 ( 9.903 -15.311 0.000) 18.234 12.178 ( -6.077 8.515 0.000) 10.461 12.178 ( 6.077 8.515 0.000) 10.461 12.455 ( -1.730 -8.549 0.000) 8.722 12.455 ( 1.730 -8.549 0.000) 8.722 13.473 ( -1.973 14.161 0.000) 14.297 13.473 ( 1.973 14.161 0.000) 14.297 13.718 ( -3.350 7.376 0.000) 8.102 13.718 ( 3.350 7.376 0.000) 8.102 14.238 ( -11.222 15.201 0.000) 18.895 14.238 ( 11.222 15.201 0.000) 18.895 14.525 ( -10.463 -1.772 0.000) 10.612 14.525 ( 10.463 -1.772 0.000) 10.612 14.625 ( -2.042 -8.920 0.000) 9.150 14.625 ( 2.042 -8.920 0.000) 9.150 14.899 ( -8.668 -7.898 0.000) 11.727 14.899 ( 8.668 -7.898 0.000) 11.727 15.250 ( -5.505 13.001 0.000) 14.119 15.250 ( 5.505 13.001 0.000) 14.119 15.881 ( -3.973 1.865 0.000) 4.389 15.881 ( 3.973 1.865 0.000) 4.389 16.140 ( -2.745 -12.044 0.000) 12.353 16.140 ( 2.745 -12.044 0.000) 12.353 16.435 ( -0.270 -10.219 0.000) 10.223 16.435 ( 0.270 -10.219 0.000) 10.223 16.614 ( -10.327 8.969 0.000) 13.678 16.614 ( 10.327 8.969 0.000) 13.678 16.849 ( -7.876 -1.619 0.000) 8.041 16.849 ( 7.876 -1.619 0.000) 8.041 17.470 ( -6.722 14.325 0.000) 15.823 17.470 ( 6.722 14.325 0.000) 15.823 17.855 ( -5.912 -5.061 0.000) 7.782 17.855 ( 5.912 -5.061 0.000) 7.782 18.856 ( -0.710 7.170 0.000) 7.205 18.856 ( 0.710 7.170 0.000) 7.205 19.046 ( -2.385 1.285 0.000) 2.709 19.046 ( 2.385 1.285 0.000) 2.709 19.529 ( -4.382 -4.294 0.000) 6.136 19.529 ( 4.382 -4.294 0.000) 6.136 19.673 ( -0.273 -7.575 0.000) 7.580 19.673 ( 0.273 -7.575 0.000) 7.580 21.275 ( -3.311 0.632 0.000) 3.371 21.275 ( 3.311 0.632 0.000) 3.371 21.331 ( -3.102 -2.419 0.000) 3.933 21.331 ( 3.102 -2.419 0.000) 3.933 23.990 ( -8.727 15.492 0.000) 17.781 23.990 ( 8.727 15.492 0.000) 17.781 24.590 ( -1.118 -13.266 0.000) 13.313 24.590 ( 1.118 -13.266 0.000) 13.313 24.886 ( -9.964 9.256 0.000) 13.600 24.886 ( 9.964 9.256 0.000) 13.600 25.282 ( -0.331 -5.917 0.000) 5.926 25.282 ( 0.331 -5.917 0.000) 5.926 25.381 ( -1.891 0.413 0.000) 1.936 25.381 ( 1.891 0.413 0.000) 1.936 25.502 ( -0.509 -3.668 0.000) 3.703 25.502 ( 0.509 -3.668 0.000) 3.703 ======================= Grid point 21 (13/96) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 0.000 -41.428 0.000) 41.428 2.607 ( 0.000 41.428 0.000) 41.428 2.794 ( 0.000 -43.078 0.000) 43.078 2.794 ( 0.000 43.078 0.000) 43.078 4.005 ( 0.000 -40.994 0.000) 40.994 4.005 ( 0.000 40.994 0.000) 40.994 4.289 ( 0.000 -11.041 0.000) 11.041 4.289 ( 0.000 11.041 0.000) 11.041 4.986 ( 0.000 -5.973 0.000) 5.973 4.986 ( 0.000 5.973 0.000) 5.973 5.363 ( 0.000 -1.572 0.000) 1.572 5.363 ( 0.000 1.572 0.000) 1.572 5.687 ( 0.000 -8.982 0.000) 8.982 5.687 ( 0.000 8.982 0.000) 8.982 6.150 ( 0.000 -20.427 0.000) 20.427 6.150 ( 0.000 20.427 0.000) 20.427 6.288 ( 0.000 -6.832 0.000) 6.832 6.288 ( 0.000 6.832 0.000) 6.832 6.463 ( 0.000 -4.925 0.000) 4.925 6.463 ( 0.000 4.925 0.000) 4.925 7.140 ( 0.000 -2.133 0.000) 2.133 7.140 ( 0.000 2.133 0.000) 2.133 7.536 ( 0.000 -8.757 0.000) 8.757 7.536 ( 0.000 8.757 0.000) 8.757 7.616 ( 0.000 -0.705 0.000) 0.705 7.616 ( 0.000 0.705 0.000) 0.705 7.946 ( 0.000 -0.731 0.000) 0.731 7.946 ( 0.000 0.731 0.000) 0.731 8.314 ( 0.000 -1.499 0.000) 1.499 8.314 ( 0.000 1.499 0.000) 1.499 8.589 ( 0.000 -2.529 0.000) 2.529 8.589 ( 0.000 2.529 0.000) 2.529 9.033 ( 0.000 -11.063 0.000) 11.063 9.033 ( 0.000 11.063 0.000) 11.063 9.036 ( 0.000 -10.296 0.000) 10.296 9.036 ( 0.000 10.296 0.000) 10.296 9.416 ( 0.000 -21.485 0.000) 21.485 9.416 ( 0.000 21.485 0.000) 21.485 9.926 ( 0.000 -5.893 0.000) 5.893 9.926 ( 0.000 5.893 0.000) 5.893 9.943 ( 0.000 -18.139 0.000) 18.139 9.943 ( 0.000 18.139 0.000) 18.139 10.522 ( 0.000 -14.713 0.000) 14.713 10.522 ( 0.000 14.713 0.000) 14.713 10.698 ( 0.000 -2.799 0.000) 2.799 10.698 ( 0.000 2.799 0.000) 2.799 10.856 ( 0.000 -19.463 0.000) 19.463 10.856 ( 0.000 19.463 0.000) 19.463 11.481 ( 0.000 -11.035 0.000) 11.035 11.481 ( 0.000 11.035 0.000) 11.035 11.567 ( 0.000 -0.079 0.000) 0.079 11.567 ( 0.000 0.079 0.000) 0.079 11.693 ( 0.000 -24.298 0.000) 24.298 11.693 ( 0.000 24.298 0.000) 24.298 12.229 ( 0.000 -3.513 0.000) 3.513 12.229 ( 0.000 3.513 0.000) 3.513 13.534 ( 0.000 -9.428 0.000) 9.428 13.534 ( 0.000 9.428 0.000) 9.428 13.824 ( 0.000 -2.284 0.000) 2.284 13.824 ( 0.000 2.284 0.000) 2.284 14.276 ( 0.000 -1.489 0.000) 1.489 14.276 ( 0.000 1.489 0.000) 1.489 14.649 ( 0.000 -28.059 0.000) 28.059 14.649 ( 0.000 28.059 0.000) 28.059 14.779 ( 0.000 -7.383 0.000) 7.383 14.779 ( 0.000 7.383 0.000) 7.383 15.233 ( 0.000 -11.690 0.000) 11.690 15.233 ( 0.000 11.690 0.000) 11.690 15.343 ( 0.000 -21.802 0.000) 21.802 15.343 ( 0.000 21.802 0.000) 21.802 15.421 ( 0.000 -3.980 0.000) 3.980 15.421 ( 0.000 3.980 0.000) 3.980 16.155 ( 0.000 -20.143 0.000) 20.143 16.155 ( 0.000 20.143 0.000) 20.143 16.238 ( 0.000 -1.799 0.000) 1.799 16.238 ( 0.000 1.799 0.000) 1.799 16.404 ( 0.000 -2.176 0.000) 2.176 16.404 ( 0.000 2.176 0.000) 2.176 17.152 ( 0.000 -4.047 0.000) 4.047 17.152 ( 0.000 4.047 0.000) 4.047 17.374 ( 0.000 -1.310 0.000) 1.310 17.374 ( 0.000 1.310 0.000) 1.310 17.875 ( 0.000 -3.951 0.000) 3.951 17.875 ( 0.000 3.951 0.000) 3.951 18.953 ( 0.000 -5.890 0.000) 5.890 18.953 ( 0.000 5.890 0.000) 5.890 18.961 ( 0.000 -2.306 0.000) 2.306 18.961 ( 0.000 2.306 0.000) 2.306 19.677 ( 0.000 -9.209 0.000) 9.209 19.677 ( 0.000 9.209 0.000) 9.209 19.696 ( 0.000 -8.150 0.000) 8.150 19.696 ( 0.000 8.150 0.000) 8.150 21.040 ( 0.000 -0.869 0.000) 0.869 21.040 ( 0.000 0.869 0.000) 0.869 21.350 ( 0.000 -1.899 0.000) 1.899 21.350 ( 0.000 1.899 0.000) 1.899 24.099 ( 0.000 -17.749 0.000) 17.749 24.099 ( 0.000 17.749 0.000) 17.749 24.373 ( 0.000 -1.581 0.000) 1.581 24.373 ( 0.000 1.581 0.000) 1.581 24.962 ( 0.000 -14.298 0.000) 14.298 24.962 ( 0.000 14.298 0.000) 14.298 25.328 ( 0.000 -0.281 0.000) 0.281 25.328 ( 0.000 0.281 0.000) 0.281 25.474 ( 0.000 -1.693 0.000) 1.693 25.474 ( 0.000 1.693 0.000) 1.693 25.548 ( 0.000 -4.038 0.000) 4.038 25.548 ( 0.000 4.038 0.000) 4.038 ======================= Grid point 23 (14/96) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( 20.243 -37.112 0.000) 42.274 2.817 ( 20.243 37.112 0.000) 42.274 2.881 ( 8.949 -39.486 0.000) 40.487 2.881 ( 8.949 39.486 0.000) 40.487 3.991 ( -1.261 -17.472 0.000) 17.517 3.991 ( -1.261 17.472 0.000) 17.517 4.406 ( 12.564 -19.642 0.000) 23.317 4.406 ( 12.564 19.642 0.000) 23.317 4.967 ( -4.257 -9.907 0.000) 10.783 4.967 ( -4.257 9.907 0.000) 10.783 5.186 ( -13.678 -9.665 0.000) 16.749 5.186 ( -13.678 9.665 0.000) 16.749 5.653 ( -3.454 -9.438 0.000) 10.050 5.653 ( -3.454 9.438 0.000) 10.050 6.158 ( -2.660 -12.221 0.000) 12.507 6.158 ( -2.660 12.221 0.000) 12.507 6.341 ( 3.752 -1.736 0.000) 4.134 6.341 ( 3.752 1.736 0.000) 4.134 6.397 ( -6.124 -7.174 0.000) 9.433 6.397 ( -6.124 7.174 0.000) 9.433 7.064 ( -4.139 -2.498 0.000) 4.835 7.064 ( -4.139 2.498 0.000) 4.835 7.593 ( 4.631 -10.130 0.000) 11.138 7.593 ( 4.631 10.130 0.000) 11.138 7.595 ( -2.757 -1.049 0.000) 2.949 7.595 ( -2.757 1.049 0.000) 2.949 7.927 ( -1.661 -2.269 0.000) 2.812 7.927 ( -1.661 2.269 0.000) 2.812 8.382 ( 6.479 -3.317 0.000) 7.279 8.382 ( 6.479 3.317 0.000) 7.279 8.609 ( 2.037 -4.846 0.000) 5.256 8.609 ( 2.037 4.846 0.000) 5.256 8.995 ( -3.632 -10.912 0.000) 11.500 8.995 ( -3.632 10.912 0.000) 11.500 9.034 ( -0.268 -10.375 0.000) 10.379 9.034 ( -0.268 10.375 0.000) 10.379 9.467 ( 4.403 -18.216 0.000) 18.741 9.467 ( 4.403 18.216 0.000) 18.741 9.835 ( -9.121 -13.362 0.000) 16.178 9.835 ( -9.121 13.362 0.000) 16.178 9.965 ( 4.925 -18.018 0.000) 18.679 9.965 ( 4.925 18.018 0.000) 18.679 10.604 ( 4.608 -12.068 0.000) 12.918 10.604 ( 4.608 12.068 0.000) 12.918 10.717 ( 1.536 -14.017 0.000) 14.101 10.717 ( 1.536 14.017 0.000) 14.101 10.799 ( -3.952 -14.533 0.000) 15.061 10.799 ( -3.952 14.533 0.000) 15.061 11.366 ( -10.960 -4.268 0.000) 11.762 11.366 ( -10.960 4.268 0.000) 11.762 11.447 ( -3.831 -15.865 0.000) 16.321 11.447 ( -3.831 15.865 0.000) 16.321 11.950 ( 16.331 -15.495 0.000) 22.512 11.950 ( 16.331 15.495 0.000) 22.512 12.228 ( 0.796 -2.635 0.000) 2.752 12.228 ( 0.796 2.635 0.000) 2.752 13.623 ( 7.769 -7.207 0.000) 10.597 13.623 ( 7.769 7.207 0.000) 10.597 13.803 ( -2.397 -4.300 0.000) 4.923 13.803 ( -2.397 4.300 0.000) 4.923 14.289 ( 2.054 -6.995 0.000) 7.290 14.289 ( 2.054 6.995 0.000) 7.290 14.586 ( -5.657 -26.365 0.000) 26.965 14.586 ( -5.657 26.365 0.000) 26.965 14.653 ( -10.843 -10.277 0.000) 14.940 14.653 ( -10.843 10.277 0.000) 14.940 15.059 ( -8.929 -14.896 0.000) 17.367 15.059 ( -8.929 14.896 0.000) 17.367 15.410 ( 6.222 -22.386 0.000) 23.235 15.410 ( 6.222 22.386 0.000) 23.235 15.664 ( 11.726 -14.264 0.000) 18.466 15.664 ( 11.726 14.264 0.000) 18.466 16.088 ( -2.704 -14.466 0.000) 14.717 16.088 ( -2.704 14.466 0.000) 14.717 16.231 ( -0.643 -5.155 0.000) 5.195 16.231 ( -0.643 5.155 0.000) 5.195 16.484 ( 6.342 -7.690 0.000) 9.968 16.484 ( 6.342 7.690 0.000) 9.968 17.091 ( -6.170 -4.465 0.000) 7.616 17.091 ( -6.170 4.465 0.000) 7.616 17.425 ( 5.304 -4.328 0.000) 6.846 17.425 ( 5.304 4.328 0.000) 6.846 17.869 ( -1.019 -5.406 0.000) 5.502 17.869 ( -1.019 5.406 0.000) 5.502 18.960 ( 0.834 -6.390 0.000) 6.445 18.960 ( 0.834 6.390 0.000) 6.445 18.971 ( 1.042 -2.812 0.000) 2.999 18.971 ( 1.042 2.812 0.000) 2.999 19.621 ( -5.016 -10.050 0.000) 11.232 19.621 ( -5.016 10.050 0.000) 11.232 19.667 ( -2.897 -7.601 0.000) 8.134 19.667 ( -2.897 7.601 0.000) 8.134 21.102 ( 5.704 -0.460 0.000) 5.723 21.102 ( 5.704 0.460 0.000) 5.723 21.347 ( -0.318 -1.762 0.000) 1.790 21.347 ( -0.318 1.762 0.000) 1.790 24.129 ( 3.136 -18.193 0.000) 18.462 24.129 ( 3.136 18.193 0.000) 18.462 24.375 ( 0.026 -3.932 0.000) 3.932 24.375 ( 0.026 3.932 0.000) 3.932 24.974 ( 1.407 -14.219 0.000) 14.289 24.974 ( 1.407 14.219 0.000) 14.289 25.301 ( -3.245 -1.460 0.000) 3.558 25.301 ( -3.245 1.460 0.000) 3.558 25.467 ( -0.747 -2.525 0.000) 2.634 25.467 ( -0.747 2.525 0.000) 2.634 25.502 ( -3.876 -3.183 0.000) 5.015 25.502 ( -3.876 3.183 0.000) 5.015 ======================= Grid point 25 (15/96) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( 12.725 -29.116 0.000) 31.775 3.093 ( 12.725 29.116 0.000) 31.775 3.207 ( 16.560 -25.735 0.000) 30.603 3.207 ( 16.560 25.735 0.000) 30.603 4.000 ( 4.999 -8.724 0.000) 10.055 4.000 ( 4.999 8.724 0.000) 10.055 4.685 ( -22.616 -19.738 0.000) 30.018 4.685 ( -22.616 19.738 0.000) 30.018 4.732 ( 21.046 -25.345 0.000) 32.944 4.732 ( 21.046 25.345 0.000) 32.944 5.087 ( 0.148 -13.233 0.000) 13.234 5.087 ( 0.148 13.233 0.000) 13.234 5.584 ( -2.517 -13.282 0.000) 13.519 5.584 ( -2.517 13.282 0.000) 13.519 6.010 ( -14.912 -11.339 0.000) 18.733 6.010 ( -14.912 11.339 0.000) 18.733 6.283 ( -5.080 -11.709 0.000) 12.763 6.283 ( -5.080 11.709 0.000) 12.763 6.293 ( -6.386 -10.737 0.000) 12.493 6.293 ( -6.386 10.737 0.000) 12.493 7.133 ( 11.037 -3.265 0.000) 11.510 7.133 ( 11.037 3.265 0.000) 11.510 7.509 ( -6.355 -1.321 0.000) 6.491 7.509 ( -6.355 1.321 0.000) 6.491 7.678 ( 4.659 -9.517 0.000) 10.596 7.678 ( 4.659 9.517 0.000) 10.596 7.881 ( -3.898 -3.425 0.000) 5.189 7.881 ( -3.898 3.425 0.000) 5.189 8.512 ( 6.874 -5.317 0.000) 8.691 8.512 ( 6.874 5.317 0.000) 8.691 8.655 ( 2.049 -6.885 0.000) 7.184 8.655 ( 2.049 6.885 0.000) 7.184 8.925 ( -2.941 -10.063 0.000) 10.484 8.925 ( -2.941 10.063 0.000) 10.484 9.011 ( -2.520 -9.203 0.000) 9.542 9.011 ( -2.520 9.203 0.000) 9.542 9.552 ( 4.366 -13.796 0.000) 14.470 9.552 ( 4.366 13.796 0.000) 14.470 9.685 ( -5.987 -3.097 0.000) 6.741 9.685 ( -5.987 3.097 0.000) 6.741 10.114 ( 10.464 -16.092 0.000) 19.195 10.114 ( 10.464 16.092 0.000) 19.195 10.525 ( -10.303 -2.836 0.000) 10.687 10.525 ( -10.303 2.836 0.000) 10.687 10.744 ( 1.699 -20.964 0.000) 21.032 10.744 ( 1.699 20.964 0.000) 21.032 10.822 ( 2.552 -16.211 0.000) 16.411 10.822 ( 2.552 16.211 0.000) 16.411 11.218 ( -4.127 -1.300 0.000) 4.327 11.218 ( -4.127 1.300 0.000) 4.327 11.346 ( -6.415 -16.489 0.000) 17.693 11.346 ( -6.415 16.489 0.000) 17.693 12.208 ( 10.443 -10.774 0.000) 15.004 12.208 ( 10.443 10.774 0.000) 15.004 12.273 ( 3.522 -5.258 0.000) 6.329 12.273 ( 3.522 5.258 0.000) 6.329 13.732 ( 2.479 -2.295 0.000) 3.378 13.732 ( 2.479 2.295 0.000) 3.378 13.748 ( -2.642 -7.138 0.000) 7.611 13.748 ( -2.642 7.138 0.000) 7.611 14.378 ( 5.988 -7.503 0.000) 9.599 14.378 ( 5.988 7.503 0.000) 9.599 14.481 ( -6.641 -5.998 0.000) 8.948 14.481 ( -6.641 5.998 0.000) 8.948 14.504 ( 0.021 -21.425 0.000) 21.425 14.504 ( 0.021 21.425 0.000) 21.425 14.897 ( -9.906 -13.289 0.000) 16.575 14.897 ( -9.906 13.289 0.000) 16.575 15.531 ( 6.040 -22.375 0.000) 23.176 15.531 ( 6.040 22.375 0.000) 23.176 15.704 ( -4.057 -21.340 0.000) 21.722 15.704 ( -4.057 21.340 0.000) 21.722 16.145 ( 5.577 -12.398 0.000) 13.595 16.145 ( 5.577 12.398 0.000) 13.595 16.218 ( -0.618 -9.356 0.000) 9.376 16.218 ( -0.618 9.356 0.000) 9.376 16.612 ( 7.792 -8.059 0.000) 11.210 16.612 ( 7.792 8.059 0.000) 11.210 16.946 ( -8.958 -5.207 0.000) 10.361 16.946 ( -8.958 5.207 0.000) 10.361 17.556 ( 8.280 -8.522 0.000) 11.882 17.556 ( 8.280 8.522 0.000) 11.882 17.822 ( -4.320 -8.223 0.000) 9.288 17.822 ( -4.320 8.223 0.000) 9.288 18.981 ( 1.200 -7.007 0.000) 7.109 18.981 ( 1.200 7.007 0.000) 7.109 18.992 ( 0.941 -4.122 0.000) 4.228 18.992 ( 0.941 4.122 0.000) 4.228 19.540 ( -2.674 -8.732 0.000) 9.133 19.540 ( -2.674 8.732 0.000) 9.133 19.599 ( -4.083 -5.842 0.000) 7.128 19.599 ( -4.083 5.842 0.000) 7.128 21.213 ( 5.553 -1.293 0.000) 5.702 21.213 ( 5.553 1.293 0.000) 5.702 21.334 ( -1.273 -1.489 0.000) 1.959 21.334 ( -1.273 1.489 0.000) 1.959 24.207 ( 5.044 -18.396 0.000) 19.075 24.207 ( 5.044 18.396 0.000) 19.075 24.361 ( -1.898 -9.812 0.000) 9.994 24.361 ( -1.898 9.812 0.000) 9.994 25.015 ( 3.061 -13.599 0.000) 13.939 25.015 ( 3.061 13.599 0.000) 13.939 25.205 ( -6.490 -5.744 0.000) 8.666 25.205 ( -6.490 5.744 0.000) 8.666 25.447 ( -1.656 -2.261 0.000) 2.803 25.447 ( -1.656 2.261 0.000) 2.803 25.450 ( -0.979 -3.485 0.000) 3.620 25.450 ( -0.979 3.485 0.000) 3.620 ======================= Grid point 27 (16/96) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( -6.224 -11.305 0.000) 12.905 3.290 ( 6.224 -11.305 0.000) 12.905 3.290 ( -6.224 11.305 0.000) 12.905 3.290 ( 6.224 11.305 0.000) 12.905 4.259 ( -21.347 -9.540 0.000) 23.381 4.259 ( -21.347 9.540 0.000) 23.381 4.259 ( 21.347 -9.540 0.000) 23.381 4.259 ( 21.347 9.540 0.000) 23.381 5.046 ( -8.460 -14.914 0.000) 17.146 5.046 ( 8.460 -14.914 0.000) 17.146 5.046 ( -8.460 14.914 0.000) 17.146 5.046 ( 8.460 14.914 0.000) 17.146 5.673 ( -15.069 -21.649 0.000) 26.377 5.673 ( 15.069 -21.649 0.000) 26.377 5.673 ( -15.069 21.649 0.000) 26.377 5.673 ( 15.069 21.649 0.000) 26.377 6.233 ( -0.038 -14.024 0.000) 14.024 6.233 ( 0.038 -14.024 0.000) 14.024 6.233 ( -0.038 14.024 0.000) 14.024 6.233 ( 0.038 14.024 0.000) 14.024 7.355 ( -10.691 -2.365 0.000) 10.949 7.355 ( -10.691 2.365 0.000) 10.949 7.355 ( 10.691 -2.365 0.000) 10.949 7.355 ( 10.691 2.365 0.000) 10.949 7.779 ( -6.281 -6.596 0.000) 9.108 7.779 ( 6.281 -6.596 0.000) 9.108 7.779 ( -6.281 6.596 0.000) 9.108 7.779 ( 6.281 6.596 0.000) 9.108 8.627 ( -5.065 -7.218 0.000) 8.818 8.627 ( 5.065 -7.218 0.000) 8.818 8.627 ( -5.065 7.218 0.000) 8.818 8.627 ( 5.065 7.218 0.000) 8.818 8.940 ( -4.148 -8.004 0.000) 9.015 8.940 ( 4.148 -8.004 0.000) 9.015 8.940 ( -4.148 8.004 0.000) 9.015 8.940 ( 4.148 8.004 0.000) 9.015 9.615 ( -2.613 -8.571 0.000) 8.960 9.615 ( 2.613 -8.571 0.000) 8.960 9.615 ( -2.613 8.571 0.000) 8.960 9.615 ( 2.613 8.571 0.000) 8.960 10.320 ( -11.317 -7.910 0.000) 13.807 10.320 ( 11.317 -7.910 0.000) 13.807 10.320 ( -11.317 7.910 0.000) 13.807 10.320 ( 11.317 7.910 0.000) 13.807 10.797 ( -3.786 -23.700 0.000) 24.001 10.797 ( 3.786 -23.700 0.000) 24.001 10.797 ( -3.786 23.700 0.000) 24.001 10.797 ( 3.786 23.700 0.000) 24.001 11.235 ( -4.805 -9.465 0.000) 10.614 11.235 ( 4.805 -9.465 0.000) 10.614 11.235 ( -4.805 9.465 0.000) 10.614 11.235 ( 4.805 9.465 0.000) 10.614 12.311 ( -0.834 -6.403 0.000) 6.457 12.311 ( 0.834 -6.403 0.000) 6.457 12.311 ( -0.834 6.403 0.000) 6.457 12.311 ( 0.834 6.403 0.000) 6.457 13.732 ( -0.817 -8.265 0.000) 8.305 13.732 ( 0.817 -8.265 0.000) 8.305 13.732 ( -0.817 8.265 0.000) 8.305 13.732 ( 0.817 8.265 0.000) 8.305 14.410 ( -1.257 -4.975 0.000) 5.131 14.410 ( 1.257 -4.975 0.000) 5.131 14.410 ( -1.257 4.975 0.000) 5.131 14.410 ( 1.257 4.975 0.000) 5.131 14.676 ( -13.358 -11.638 0.000) 17.717 14.676 ( 13.358 -11.638 0.000) 17.717 14.676 ( -13.358 11.638 0.000) 17.717 14.676 ( 13.358 11.638 0.000) 17.717 15.623 ( -4.238 -21.195 0.000) 21.615 15.623 ( 4.238 -21.195 0.000) 21.615 15.623 ( -4.238 21.195 0.000) 21.615 15.623 ( 4.238 21.195 0.000) 21.615 16.206 ( -1.219 -11.569 0.000) 11.633 16.206 ( 1.219 -11.569 0.000) 11.633 16.206 ( -1.219 11.569 0.000) 11.633 16.206 ( 1.219 11.569 0.000) 11.633 16.774 ( -9.344 -6.217 0.000) 11.223 16.774 ( 9.344 -6.217 0.000) 11.223 16.774 ( -9.344 6.217 0.000) 11.223 16.774 ( 9.344 6.217 0.000) 11.223 17.709 ( -7.647 -9.955 0.000) 12.553 17.709 ( 7.647 -9.955 0.000) 12.553 17.709 ( -7.647 9.955 0.000) 12.553 17.709 ( 7.647 9.955 0.000) 12.553 18.998 ( -0.429 -6.112 0.000) 6.128 18.998 ( 0.429 -6.112 0.000) 6.128 18.998 ( -0.429 6.112 0.000) 6.128 18.998 ( 0.429 6.112 0.000) 6.128 19.536 ( -2.071 -5.029 0.000) 5.438 19.536 ( 2.071 -5.029 0.000) 5.438 19.536 ( -2.071 5.029 0.000) 5.438 19.536 ( 2.071 5.029 0.000) 5.438 21.294 ( -3.188 -1.373 0.000) 3.471 21.294 ( -3.188 1.373 0.000) 3.471 21.294 ( 3.188 -1.373 0.000) 3.471 21.294 ( 3.188 1.373 0.000) 3.471 24.300 ( -4.522 -15.852 0.000) 16.484 24.300 ( 4.522 -15.852 0.000) 16.484 24.300 ( -4.522 15.852 0.000) 16.484 24.300 ( 4.522 15.852 0.000) 16.484 25.091 ( -5.264 -11.049 0.000) 12.239 25.091 ( 5.264 -11.049 0.000) 12.239 25.091 ( -5.264 11.049 0.000) 12.239 25.091 ( 5.264 11.049 0.000) 12.239 25.437 ( -0.290 -3.367 0.000) 3.379 25.437 ( 0.290 -3.367 0.000) 3.379 25.437 ( -0.290 3.367 0.000) 3.379 25.437 ( 0.290 3.367 0.000) 3.379 ======================= Grid point 49 (17/96) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 0.000 0.000 47.500) 47.500 1.022 ( 0.000 0.000 48.415) 48.415 1.522 ( 0.000 0.000 71.075) 71.075 4.131 ( 0.000 0.000 16.608) 16.608 4.238 ( 0.000 0.000 6.369) 6.369 4.549 ( 0.000 0.000 3.032) 3.032 4.652 ( 0.000 0.000 14.445) 14.445 4.773 ( 0.000 0.000 -5.465) 5.465 4.885 ( 0.000 0.000 5.240) 5.240 4.953 ( 0.000 0.000 5.236) 5.236 5.099 ( 0.000 0.000 7.477) 7.477 5.110 ( 0.000 0.000 2.350) 2.350 5.714 ( 0.000 0.000 -1.325) 1.325 5.904 ( 0.000 0.000 5.226) 5.226 6.164 ( 0.000 0.000 -8.730) 8.730 6.288 ( 0.000 0.000 -9.408) 9.408 6.309 ( 0.000 0.000 -3.041) 3.041 6.591 ( 0.000 0.000 -3.246) 3.246 6.622 ( 0.000 0.000 7.732) 7.732 6.881 ( 0.000 0.000 2.557) 2.557 7.007 ( 0.000 0.000 6.036) 6.036 7.214 ( 0.000 0.000 -2.145) 2.145 7.319 ( 0.000 0.000 -7.514) 7.514 7.439 ( 0.000 0.000 -3.495) 3.495 7.491 ( 0.000 0.000 -7.947) 7.947 7.538 ( 0.000 0.000 -8.042) 8.042 7.719 ( 0.000 0.000 1.314) 1.314 7.853 ( 0.000 0.000 -13.376) 13.376 8.173 ( 0.000 0.000 1.889) 1.889 8.349 ( 0.000 0.000 -2.828) 2.828 8.402 ( 0.000 0.000 -2.304) 2.304 8.410 ( 0.000 0.000 5.865) 5.865 8.694 ( 0.000 0.000 12.053) 12.053 8.881 ( 0.000 0.000 -3.401) 3.401 8.898 ( 0.000 0.000 -3.205) 3.205 9.084 ( 0.000 0.000 3.820) 3.820 9.097 ( 0.000 0.000 -3.398) 3.398 9.290 ( 0.000 0.000 4.569) 4.569 9.586 ( 0.000 0.000 2.034) 2.034 9.888 ( 0.000 0.000 -13.692) 13.692 9.979 ( 0.000 0.000 1.232) 1.232 10.133 ( 0.000 0.000 6.337) 6.337 10.380 ( 0.000 0.000 1.990) 1.990 10.442 ( 0.000 0.000 -15.545) 15.545 10.584 ( 0.000 0.000 -1.380) 1.380 10.598 ( 0.000 0.000 -5.974) 5.974 11.186 ( 0.000 0.000 -11.308) 11.308 11.297 ( 0.000 0.000 5.219) 5.219 11.808 ( 0.000 0.000 3.204) 3.204 11.913 ( 0.000 0.000 5.535) 5.535 11.920 ( 0.000 0.000 -14.367) 14.367 12.076 ( 0.000 0.000 -6.859) 6.859 12.261 ( 0.000 0.000 -7.714) 7.714 12.448 ( 0.000 0.000 -13.468) 13.468 12.449 ( 0.000 0.000 0.981) 0.981 12.785 ( 0.000 0.000 -5.021) 5.021 12.977 ( 0.000 0.000 -3.429) 3.429 13.278 ( 0.000 0.000 -4.976) 4.976 13.461 ( 0.000 0.000 -14.157) 14.157 13.822 ( 0.000 0.000 17.007) 17.007 13.959 ( 0.000 0.000 -3.906) 3.906 14.022 ( 0.000 0.000 22.994) 22.994 14.179 ( 0.000 0.000 1.467) 1.467 14.404 ( 0.000 0.000 -2.500) 2.500 14.417 ( 0.000 0.000 9.278) 9.278 14.747 ( 0.000 0.000 0.410) 0.410 14.841 ( 0.000 0.000 10.756) 10.756 15.093 ( 0.000 0.000 9.786) 9.786 15.380 ( 0.000 0.000 1.541) 1.541 15.498 ( 0.000 0.000 8.681) 8.681 15.836 ( 0.000 0.000 5.254) 5.254 16.147 ( 0.000 0.000 -8.596) 8.596 16.356 ( 0.000 0.000 8.362) 8.362 16.407 ( 0.000 0.000 3.552) 3.552 16.411 ( 0.000 0.000 4.177) 4.177 16.767 ( 0.000 0.000 2.515) 2.515 16.780 ( 0.000 0.000 -5.619) 5.619 16.814 ( 0.000 0.000 6.398) 6.398 17.046 ( 0.000 0.000 -3.251) 3.251 17.150 ( 0.000 0.000 0.672) 0.672 17.180 ( 0.000 0.000 6.909) 6.909 17.229 ( 0.000 0.000 2.826) 2.826 17.476 ( 0.000 0.000 8.347) 8.347 17.526 ( 0.000 0.000 -1.844) 1.844 17.815 ( 0.000 0.000 -1.164) 1.164 18.811 ( 0.000 0.000 -0.163) 0.163 18.849 ( 0.000 0.000 -0.715) 0.715 19.056 ( 0.000 0.000 5.217) 5.217 19.235 ( 0.000 0.000 -2.699) 2.699 19.292 ( 0.000 0.000 -18.233) 18.233 20.141 ( 0.000 0.000 3.866) 3.866 20.379 ( 0.000 0.000 -7.674) 7.674 21.018 ( 0.000 0.000 0.271) 0.271 21.080 ( 0.000 0.000 -0.125) 0.125 21.327 ( 0.000 0.000 -0.914) 0.914 21.474 ( 0.000 0.000 0.197) 0.197 22.923 ( 0.000 0.000 -32.522) 32.522 23.585 ( 0.000 0.000 -24.134) 24.134 24.223 ( 0.000 0.000 -8.158) 8.158 24.549 ( 0.000 0.000 13.538) 13.538 24.897 ( 0.000 0.000 16.344) 16.344 25.014 ( 0.000 0.000 -0.703) 0.703 25.185 ( 0.000 0.000 -10.043) 10.043 25.333 ( 0.000 0.000 -1.748) 1.748 25.375 ( 0.000 0.000 2.594) 2.594 25.540 ( 0.000 0.000 4.226) 4.226 25.654 ( 0.000 0.000 5.430) 5.430 26.438 ( 0.000 0.000 -3.877) 3.877 ======================= Grid point 50 (18/96) ======================= q-point: ( 0.17 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 28.679 0.000 31.835) 42.848 1.328 ( 29.066 0.000 36.316) 46.515 2.191 ( 55.291 0.000 50.032) 74.567 3.984 ( -26.066 0.000 6.175) 26.787 3.985 ( -17.697 0.000 13.271) 22.120 4.542 ( -0.060 0.000 7.079) 7.079 4.598 ( -7.417 0.000 -0.114) 7.418 4.707 ( -8.689 0.000 7.392) 11.408 4.748 ( 9.027 0.000 10.378) 13.754 4.903 ( -0.919 0.000 11.803) 11.838 5.219 ( 7.523 0.000 -0.022) 7.523 5.467 ( 17.007 0.000 0.804) 17.026 5.654 ( -7.001 0.000 -0.648) 7.031 5.936 ( 5.132 0.000 3.441) 6.178 6.187 ( 2.280 0.000 -7.542) 7.879 6.289 ( -0.003 0.000 -9.254) 9.254 6.341 ( 3.998 0.000 -2.846) 4.908 6.535 ( -4.141 0.000 1.628) 4.449 6.632 ( -17.168 0.000 1.947) 17.278 6.699 ( -4.130 0.000 3.319) 5.298 6.952 ( 0.191 0.000 -2.765) 2.772 7.031 ( -15.900 0.000 -5.446) 16.807 7.167 ( -11.470 0.000 -3.228) 11.916 7.477 ( 0.503 0.000 1.520) 1.601 7.502 ( 8.399 0.000 -2.433) 8.744 7.696 ( 4.608 0.000 -0.308) 4.618 7.857 ( -0.947 0.000 -13.155) 13.189 7.873 ( 14.203 0.000 -3.201) 14.559 8.172 ( -0.783 0.000 0.018) 0.783 8.380 ( 0.952 0.000 3.225) 3.362 8.406 ( -18.490 0.000 7.788) 20.063 8.501 ( 11.263 0.000 -7.959) 13.791 8.648 ( 20.677 0.000 1.211) 20.712 8.847 ( -2.664 0.000 2.400) 3.585 8.970 ( 5.126 0.000 -6.541) 8.310 9.022 ( -7.036 0.000 -4.620) 8.417 9.295 ( 1.249 0.000 3.586) 3.797 9.302 ( 17.085 0.000 9.726) 19.660 9.552 ( -2.719 0.000 0.590) 2.782 9.814 ( -6.294 0.000 -12.016) 13.564 9.898 ( -9.030 0.000 -0.042) 9.030 10.169 ( -6.888 0.000 -6.516) 9.482 10.410 ( -2.086 0.000 -4.778) 5.213 10.451 ( 9.739 0.000 -2.321) 10.012 10.511 ( -4.596 0.000 -2.591) 5.276 10.733 ( 14.607 0.000 4.291) 15.224 11.140 ( -1.035 0.000 -3.935) 4.069 11.237 ( -3.246 0.000 -3.424) 4.718 11.776 ( -10.800 0.000 -2.936) 11.192 11.798 ( -11.345 0.000 1.085) 11.396 11.809 ( -10.023 0.000 -16.162) 19.018 11.939 ( 0.605 0.000 -4.172) 4.216 12.276 ( -4.411 0.000 -8.974) 9.999 12.532 ( -3.208 0.000 -3.717) 4.910 12.631 ( 14.604 0.000 0.169) 14.605 12.846 ( 5.194 0.000 -1.930) 5.541 12.879 ( -0.072 0.000 -3.713) 3.714 13.298 ( 2.563 0.000 -2.212) 3.386 13.541 ( 6.938 0.000 -15.696) 17.161 13.703 ( -30.724 0.000 17.201) 35.211 13.870 ( -4.166 0.000 17.487) 17.977 14.008 ( -7.435 0.000 -0.771) 7.475 14.018 ( 7.618 0.000 16.737) 18.389 14.336 ( 13.463 0.000 6.635) 15.009 14.520 ( 9.040 0.000 9.386) 13.031 14.625 ( -9.929 0.000 1.487) 10.040 14.784 ( -2.999 0.000 1.557) 3.379 15.101 ( -1.447 0.000 9.956) 10.061 15.460 ( 7.899 0.000 3.198) 8.521 15.556 ( 0.655 0.000 4.172) 4.223 15.943 ( 4.333 0.000 10.206) 11.088 16.200 ( 4.470 0.000 -9.611) 10.599 16.217 ( -11.691 0.000 18.815) 22.152 16.388 ( -2.074 0.000 4.433) 4.894 16.449 ( -1.891 0.000 5.373) 5.696 16.598 ( 5.747 0.000 -1.974) 6.076 16.733 ( -6.324 0.000 6.520) 9.083 16.762 ( -1.628 0.000 -0.047) 1.628 17.043 ( -12.073 0.000 2.404) 12.310 17.044 ( -2.187 0.000 5.153) 5.598 17.107 ( -2.146 0.000 2.685) 3.437 17.153 ( -4.408 0.000 0.312) 4.419 17.642 ( 8.397 0.000 -4.369) 9.466 17.841 ( 2.537 0.000 -1.064) 2.751 18.182 ( 31.891 0.000 -22.896) 39.259 18.829 ( 1.988 0.000 0.219) 2.000 18.830 ( -2.194 0.000 -0.873) 2.361 19.146 ( 9.537 0.000 -0.584) 9.554 19.152 ( -4.940 0.000 -5.167) 7.149 19.416 ( 9.119 0.000 -12.324) 15.331 20.098 ( -4.579 0.000 3.239) 5.609 20.149 ( -15.225 0.000 0.153) 15.225 21.117 ( 3.787 0.000 0.625) 3.838 21.212 ( 10.204 0.000 -5.852) 11.763 21.338 ( 1.162 0.000 -0.991) 1.527 21.465 ( -0.977 0.000 -0.016) 0.977 22.940 ( 2.203 0.000 -32.466) 32.541 23.515 ( -6.911 0.000 -27.140) 28.006 24.321 ( 8.881 0.000 -13.547) 16.198 24.691 ( 10.011 0.000 5.155) 11.260 24.884 ( -1.310 0.000 12.299) 12.368 25.035 ( 2.201 0.000 -0.805) 2.344 25.138 ( -4.623 0.000 -5.762) 7.388 25.311 ( -2.330 0.000 -1.710) 2.890 25.407 ( 2.894 0.000 1.501) 3.260 25.541 ( -0.213 0.000 3.895) 3.901 25.671 ( 1.934 0.000 5.360) 5.698 26.208 ( -16.809 0.000 11.216) 20.208 ======================= Grid point 51 (19/96) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 42.030 0.000 14.513) 44.465 1.966 ( 37.864 0.000 22.629) 44.111 3.166 ( 22.500 0.000 21.938) 31.425 3.386 ( -36.322 0.000 9.152) 37.457 3.610 ( 3.711 0.000 16.252) 16.670 4.551 ( 0.940 0.000 8.829) 8.879 4.573 ( 1.330 0.000 3.904) 4.124 4.614 ( -2.857 0.000 8.576) 9.039 4.870 ( -2.049 0.000 15.020) 15.159 4.976 ( 15.082 0.000 6.766) 16.530 5.263 ( -5.161 0.000 -4.414) 6.791 5.518 ( -5.748 0.000 -0.254) 5.754 5.531 ( -8.245 0.000 2.680) 8.669 5.904 ( -35.612 0.000 14.655) 38.509 6.115 ( 9.480 0.000 -5.661) 11.042 6.230 ( 1.478 0.000 -5.101) 5.311 6.435 ( 1.563 0.000 -3.505) 3.838 6.493 ( -2.212 0.000 -0.315) 2.234 6.517 ( 17.059 0.000 0.015) 17.059 6.768 ( 5.305 0.000 -4.950) 7.256 6.791 ( -7.117 0.000 -2.762) 7.634 6.934 ( -2.297 0.000 -6.906) 7.278 6.959 ( -10.676 0.000 -2.158) 10.892 7.333 ( -16.843 0.000 2.108) 16.975 7.698 ( 9.543 0.000 -0.748) 9.572 7.805 ( 8.739 0.000 2.339) 9.047 7.869 ( 3.452 0.000 -7.529) 8.283 8.017 ( -3.355 0.000 -2.456) 4.158 8.128 ( -11.035 0.000 4.270) 11.832 8.150 ( 1.625 0.000 -2.673) 3.128 8.425 ( 5.848 0.000 5.769) 8.214 8.763 ( 14.521 0.000 -7.709) 16.440 8.851 ( -8.161 0.000 -1.546) 8.306 8.940 ( 10.858 0.000 0.202) 10.860 8.993 ( 12.323 0.000 -2.841) 12.646 9.108 ( 9.378 0.000 -11.164) 14.580 9.306 ( -2.192 0.000 -2.077) 3.019 9.519 ( -0.890 0.000 1.032) 1.363 9.569 ( 9.118 0.000 2.001) 9.335 9.633 ( -16.165 0.000 3.122) 16.464 9.779 ( 6.759 0.000 0.136) 6.761 9.917 ( -16.085 0.000 -5.251) 16.920 10.214 ( -13.272 0.000 -4.791) 14.110 10.442 ( -7.751 0.000 0.250) 7.755 10.738 ( 16.499 0.000 -8.851) 18.723 11.118 ( 25.456 0.000 9.544) 27.187 11.147 ( -4.414 0.000 -8.877) 9.914 11.208 ( 4.575 0.000 1.120) 4.710 11.551 ( -13.330 0.000 -5.756) 14.519 11.601 ( -6.334 0.000 -14.775) 16.076 11.635 ( -7.698 0.000 -17.164) 18.811 11.967 ( 2.323 0.000 3.403) 4.120 12.180 ( -5.840 0.000 -5.147) 7.784 12.188 ( -26.493 0.000 3.487) 26.721 12.824 ( 6.170 0.000 8.200) 10.262 12.954 ( 4.043 0.000 6.111) 7.327 13.100 ( 16.383 0.000 -7.000) 17.816 13.349 ( -4.788 0.000 2.770) 5.531 13.371 ( 4.604 0.000 1.064) 4.725 13.623 ( -0.291 0.000 -14.871) 14.874 13.721 ( -8.399 0.000 19.031) 20.801 13.808 ( -15.556 0.000 -5.831) 16.612 14.222 ( 10.924 0.000 8.932) 14.111 14.467 ( -6.170 0.000 4.286) 7.512 14.625 ( 16.799 0.000 5.212) 17.589 14.696 ( 9.371 0.000 8.401) 12.585 14.871 ( 9.631 0.000 -0.132) 9.631 15.021 ( -6.825 0.000 8.717) 11.071 15.465 ( -7.135 0.000 3.763) 8.067 15.641 ( 11.433 0.000 6.096) 12.957 15.785 ( -16.598 0.000 10.077) 19.417 16.143 ( -11.726 0.000 1.302) 11.798 16.237 ( 7.904 0.000 15.328) 17.246 16.399 ( -3.069 0.000 6.979) 7.624 16.459 ( 10.295 0.000 -4.801) 11.360 16.671 ( 0.832 0.000 5.040) 5.108 16.686 ( 3.593 0.000 0.970) 3.722 16.820 ( -10.746 0.000 2.542) 11.043 16.836 ( 8.185 0.000 1.629) 8.346 16.954 ( -6.879 0.000 7.095) 9.882 17.014 ( -10.516 0.000 -2.894) 10.907 17.066 ( -3.030 0.000 1.251) 3.278 17.780 ( 6.259 0.000 -6.014) 8.680 17.882 ( 1.078 0.000 -2.638) 2.850 18.529 ( 10.467 0.000 -10.364) 14.729 18.768 ( -4.422 0.000 -1.557) 4.688 18.886 ( 4.067 0.000 0.824) 4.150 19.063 ( -4.837 0.000 -2.043) 5.250 19.375 ( 14.138 0.000 -6.657) 15.627 19.602 ( 10.761 0.000 -7.864) 13.328 19.893 ( -13.233 0.000 -3.090) 13.589 19.978 ( -8.269 0.000 1.116) 8.344 21.204 ( 5.166 0.000 1.927) 5.513 21.311 ( 1.383 0.000 -0.661) 1.533 21.367 ( 1.874 0.000 -1.073) 2.160 21.439 ( -1.697 0.000 -0.497) 1.769 23.016 ( 6.237 0.000 -32.558) 33.150 23.354 ( -9.999 0.000 -30.577) 32.170 24.514 ( 11.242 0.000 -16.000) 19.554 24.807 ( 0.474 0.000 -6.770) 6.786 24.862 ( 0.828 0.000 12.695) 12.722 25.029 ( -6.668 0.000 5.457) 8.616 25.092 ( 3.850 0.000 -1.060) 3.994 25.251 ( -3.979 0.000 -1.583) 4.282 25.463 ( 2.787 0.000 1.479) 3.155 25.529 ( -0.965 0.000 2.954) 3.108 25.723 ( 3.621 0.000 6.294) 7.261 25.955 ( -10.373 0.000 13.495) 17.021 ======================= Grid point 52 (20/96) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( -40.267 0.000 9.746) 41.430 2.679 ( 40.267 0.000 9.746) 41.430 2.683 ( -38.953 0.000 14.374) 41.520 2.683 ( 38.953 0.000 14.374) 41.520 4.365 ( -35.100 0.000 10.068) 36.515 4.365 ( 35.100 0.000 10.068) 36.515 4.575 ( -1.631 0.000 8.968) 9.115 4.575 ( 1.631 0.000 8.968) 9.115 4.946 ( -16.465 0.000 9.651) 19.085 4.946 ( 16.465 0.000 9.651) 19.085 5.280 ( -16.633 0.000 4.349) 17.192 5.280 ( 16.633 0.000 4.349) 17.192 5.508 ( -6.267 0.000 8.650) 10.681 5.508 ( 6.267 0.000 8.650) 10.681 6.218 ( -2.764 0.000 -6.883) 7.417 6.218 ( 2.764 0.000 -6.883) 7.417 6.463 ( -1.298 0.000 -1.355) 1.877 6.463 ( 1.298 0.000 -1.355) 1.877 6.789 ( -5.146 0.000 -1.105) 5.263 6.789 ( 5.146 0.000 -1.105) 5.263 6.867 ( -4.835 0.000 -8.035) 9.378 6.867 ( 4.835 0.000 -8.035) 9.378 6.933 ( -23.456 0.000 1.128) 23.484 6.933 ( 23.456 0.000 1.128) 23.484 7.834 ( -6.504 0.000 -0.296) 6.510 7.834 ( 6.504 0.000 -0.296) 6.510 7.969 ( -6.874 0.000 -0.933) 6.937 7.969 ( 6.874 0.000 -0.933) 6.937 8.072 ( -9.746 0.000 -0.096) 9.746 8.072 ( 9.746 0.000 -0.096) 9.746 8.615 ( -12.766 0.000 0.273) 12.769 8.615 ( 12.766 0.000 0.273) 12.769 9.070 ( -10.608 0.000 -4.263) 11.432 9.070 ( 10.608 0.000 -4.263) 11.432 9.146 ( -5.109 0.000 -7.940) 9.442 9.146 ( 5.109 0.000 -7.940) 9.442 9.287 ( -12.212 0.000 -1.927) 12.364 9.287 ( 12.212 0.000 -1.927) 12.364 9.656 ( -10.529 0.000 1.762) 10.675 9.656 ( 10.529 0.000 1.762) 10.675 9.772 ( -12.698 0.000 -4.027) 13.322 9.772 ( 12.698 0.000 -4.027) 13.322 10.209 ( -14.137 0.000 5.026) 15.004 10.209 ( 14.137 0.000 5.026) 15.004 11.000 ( -11.283 0.000 -9.149) 14.526 11.000 ( 11.283 0.000 -9.149) 14.526 11.337 ( -9.082 0.000 -3.909) 9.888 11.337 ( 9.082 0.000 -3.909) 9.888 11.520 ( -7.233 0.000 -7.041) 10.094 11.520 ( 7.233 0.000 -7.041) 10.094 11.681 ( -24.199 0.000 -4.631) 24.638 11.681 ( 24.199 0.000 -4.631) 24.638 12.056 ( -6.844 0.000 1.434) 6.993 12.056 ( 6.844 0.000 1.434) 6.993 12.920 ( -4.865 0.000 11.822) 12.784 12.920 ( 4.865 0.000 11.822) 12.784 13.360 ( -9.397 0.000 -6.411) 11.375 13.360 ( 9.397 0.000 -6.411) 11.375 13.499 ( -15.792 0.000 -8.122) 17.758 13.499 ( 15.792 0.000 -8.122) 17.758 13.605 ( -3.763 0.000 6.346) 7.378 13.605 ( 3.763 0.000 6.346) 7.378 14.375 ( -5.482 0.000 6.433) 8.452 14.375 ( 5.482 0.000 6.433) 8.452 14.867 ( -9.169 0.000 7.637) 11.933 14.867 ( 9.169 0.000 7.637) 11.933 14.900 ( -9.875 0.000 2.029) 10.081 14.900 ( 9.875 0.000 2.029) 10.081 15.490 ( -12.229 0.000 6.252) 13.735 15.490 ( 12.229 0.000 6.252) 13.735 15.883 ( -14.531 0.000 5.769) 15.634 15.883 ( 14.531 0.000 5.769) 15.634 16.341 ( -3.521 0.000 10.316) 10.901 16.341 ( 3.521 0.000 10.316) 10.901 16.642 ( -8.164 0.000 0.005) 8.164 16.642 ( 8.164 0.000 0.005) 8.164 16.797 ( -11.106 0.000 -2.210) 11.324 16.797 ( 11.106 0.000 -2.210) 11.324 16.802 ( -8.210 0.000 6.313) 10.357 16.802 ( 8.210 0.000 6.313) 10.357 16.981 ( -6.253 0.000 1.119) 6.352 16.981 ( 6.253 0.000 1.119) 6.352 17.866 ( -2.861 0.000 -4.997) 5.758 17.866 ( 2.861 0.000 -4.997) 5.758 18.671 ( -6.020 0.000 -3.913) 7.180 18.671 ( 6.020 0.000 -3.913) 7.180 18.972 ( -4.988 0.000 0.220) 4.993 18.972 ( 4.988 0.000 0.220) 4.993 19.641 ( -14.162 0.000 -6.376) 15.531 19.641 ( 14.162 0.000 -6.376) 15.531 19.802 ( -10.451 0.000 -2.778) 10.814 19.802 ( 10.451 0.000 -2.778) 10.814 21.288 ( -3.382 0.000 2.022) 3.940 21.288 ( 3.382 0.000 2.022) 3.940 21.404 ( -2.025 0.000 -0.922) 2.225 21.404 ( 2.025 0.000 -0.922) 2.225 23.166 ( -9.641 0.000 -32.169) 33.583 23.166 ( 9.641 0.000 -32.169) 33.583 24.710 ( -9.042 0.000 -17.981) 20.127 24.710 ( 9.042 0.000 -17.981) 20.127 24.922 ( -4.415 0.000 16.202) 16.792 24.922 ( 4.415 0.000 16.202) 16.792 25.171 ( -4.515 0.000 -1.354) 4.713 25.171 ( 4.515 0.000 -1.354) 4.713 25.505 ( -1.735 0.000 2.169) 2.778 25.505 ( 1.735 0.000 2.169) 2.778 25.809 ( -5.907 0.000 9.392) 11.095 25.809 ( 5.907 0.000 9.392) 11.095 ======================= Grid point 56 (21/96) ======================= q-point: ( 0.00 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 0.000 28.647 32.496) 43.321 1.334 ( 0.000 29.757 35.200) 46.092 2.187 ( 0.000 52.491 49.734) 72.310 4.071 ( 0.000 -17.914 3.743) 18.301 4.089 ( 0.000 -13.832 11.799) 18.181 4.269 ( 0.000 -10.898 8.352) 13.730 4.620 ( 0.000 -3.312 14.340) 14.718 4.776 ( 0.000 -0.000 -1.848) 1.848 4.946 ( 0.000 1.614 12.471) 12.575 4.962 ( 0.000 1.963 4.591) 4.993 5.233 ( 0.000 10.560 2.530) 10.858 5.278 ( 0.000 14.630 -0.952) 14.661 5.710 ( 0.000 -6.332 -1.046) 6.417 5.858 ( 0.000 -3.583 5.277) 6.378 5.965 ( 0.000 -6.855 -8.306) 10.770 6.239 ( 0.000 -3.760 -8.344) 9.152 6.268 ( 0.000 -4.212 -0.912) 4.309 6.613 ( 0.000 -0.190 7.565) 7.567 6.749 ( 0.000 -9.286 6.699) 11.450 6.821 ( 0.000 5.777 -3.319) 6.663 6.934 ( 0.000 -2.004 -0.594) 2.090 7.272 ( 0.000 -7.863 -4.095) 8.866 7.277 ( 0.000 -7.973 -4.483) 9.147 7.384 ( 0.000 12.080 -2.416) 12.319 7.480 ( 0.000 9.078 -10.444) 13.838 7.588 ( 0.000 1.330 -4.376) 4.574 7.727 ( 0.000 0.795 -1.314) 1.535 8.020 ( 0.000 -5.476 -4.575) 7.136 8.197 ( 0.000 15.955 -5.507) 16.878 8.300 ( 0.000 -1.627 -1.666) 2.328 8.437 ( 0.000 3.023 -0.800) 3.127 8.485 ( 0.000 7.522 0.909) 7.576 8.687 ( 0.000 -1.584 7.095) 7.270 8.925 ( 0.000 1.544 1.561) 2.195 9.000 ( 0.000 -7.776 3.593) 8.566 9.048 ( 0.000 12.600 -4.657) 13.433 9.190 ( 0.000 11.205 3.547) 11.753 9.369 ( 0.000 9.777 2.164) 10.013 9.462 ( 0.000 -10.225 -0.315) 10.230 9.938 ( 0.000 -3.605 -4.743) 5.958 10.022 ( 0.000 -2.675 -1.604) 3.119 10.026 ( 0.000 6.985 0.913) 7.044 10.213 ( 0.000 -14.981 -6.916) 16.500 10.449 ( 0.000 -0.253 -10.902) 10.905 10.725 ( 0.000 17.189 6.206) 18.275 10.801 ( 0.000 14.598 -9.753) 17.557 11.084 ( 0.000 -10.669 -9.938) 14.581 11.231 ( 0.000 -2.445 0.739) 2.554 11.684 ( 0.000 -11.274 -1.861) 11.426 11.764 ( 0.000 -21.580 8.498) 23.193 11.776 ( 0.000 -27.571 12.530) 30.285 11.926 ( 0.000 -7.588 1.235) 7.688 12.028 ( 0.000 -15.076 -9.031) 17.574 12.197 ( 0.000 -15.048 -7.405) 16.772 12.405 ( 0.000 -13.735 -15.137) 20.439 12.457 ( 0.000 -0.529 -15.720) 15.729 13.425 ( 0.000 8.740 -0.308) 8.746 13.498 ( 0.000 25.574 -2.592) 25.705 13.608 ( 0.000 14.768 -6.725) 16.227 13.684 ( 0.000 -15.672 21.662) 26.737 13.853 ( 0.000 -4.026 7.260) 8.301 13.887 ( 0.000 -5.227 -3.312) 6.188 14.091 ( 0.000 12.465 16.802) 20.921 14.502 ( 0.000 20.433 11.017) 23.213 14.560 ( 0.000 9.824 7.355) 12.272 14.739 ( 0.000 -0.547 9.270) 9.286 15.052 ( 0.000 13.473 -2.356) 13.678 15.314 ( 0.000 7.113 4.639) 8.492 15.337 ( 0.000 -8.976 2.277) 9.260 15.392 ( 0.000 7.755 2.437) 8.129 15.690 ( 0.000 -14.886 1.499) 14.961 16.041 ( 0.000 -13.780 14.490) 19.996 16.169 ( 0.000 -7.073 12.827) 14.648 16.438 ( 0.000 1.485 -2.755) 3.129 16.483 ( 0.000 -13.773 -2.746) 14.044 16.542 ( 0.000 -5.283 4.439) 6.900 16.717 ( 0.000 -7.048 -3.840) 8.026 16.829 ( 0.000 -4.221 5.978) 7.318 16.916 ( 0.000 -1.257 2.178) 2.515 17.185 ( 0.000 2.196 0.541) 2.262 17.241 ( 0.000 7.481 0.861) 7.530 17.300 ( 0.000 2.594 9.552) 9.898 17.390 ( 0.000 14.170 3.632) 14.628 17.832 ( 0.000 1.821 -1.088) 2.121 18.460 ( 0.000 31.147 -37.485) 48.737 18.831 ( 0.000 -1.631 -2.917) 3.342 18.875 ( 0.000 6.625 -2.637) 7.131 19.044 ( 0.000 -1.020 3.980) 4.109 19.222 ( 0.000 -0.858 -2.285) 2.441 19.305 ( 0.000 1.153 -16.131) 16.172 20.100 ( 0.000 -3.944 4.579) 6.044 20.255 ( 0.000 -9.390 1.227) 9.470 21.020 ( 0.000 0.205 0.198) 0.285 21.072 ( 0.000 -0.689 -0.196) 0.716 21.336 ( 0.000 0.483 -0.078) 0.489 21.455 ( 0.000 -1.777 0.540) 1.857 23.015 ( 0.000 9.010 -33.103) 34.308 23.735 ( 0.000 7.130 -31.918) 32.705 24.231 ( 0.000 2.098 -21.221) 21.325 24.557 ( 0.000 0.689 11.984) 12.004 24.875 ( 0.000 -0.005 17.603) 17.603 25.161 ( 0.000 -2.681 -9.922) 10.278 25.190 ( 0.000 10.972 -3.016) 11.379 25.336 ( 0.000 0.174 -1.337) 1.348 25.379 ( 0.000 0.694 2.525) 2.619 25.546 ( 0.000 0.334 4.061) 4.075 25.623 ( 0.000 -2.278 6.753) 7.127 26.186 ( 0.000 -17.689 11.181) 20.926 ======================= Grid point 57 (22/96) ======================= q-point: ( 0.17 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 25.936 27.101 20.848) 42.916 1.706 ( 28.132 28.474 27.856) 48.766 2.580 ( 39.576 37.321 42.220) 68.860 3.936 ( -15.341 -8.191 4.169) 17.883 4.032 ( -16.427 3.726 13.219) 21.412 4.235 ( 6.319 -23.603 6.124) 25.190 4.580 ( -7.862 -1.654 6.653) 10.431 4.655 ( -5.968 -3.039 10.456) 12.417 4.832 ( -0.034 4.033 1.487) 4.299 4.936 ( -1.254 3.155 13.515) 13.934 5.319 ( 4.043 8.130 -0.698) 9.106 5.560 ( 17.511 7.466 0.466) 19.042 5.640 ( -8.799 -3.281 0.356) 9.397 5.813 ( -0.994 -16.404 2.907) 16.689 5.999 ( 3.293 -0.903 -5.484) 6.461 6.248 ( -1.227 -8.105 -5.585) 9.919 6.286 ( 2.824 -1.710 -4.340) 5.453 6.544 ( -10.141 -5.425 4.043) 12.191 6.691 ( -14.088 -1.031 3.279) 14.502 6.784 ( -0.406 -9.595 2.612) 9.952 6.859 ( -0.323 15.039 -3.018) 15.342 7.086 ( -11.342 -0.797 -2.465) 11.635 7.226 ( -1.536 0.396 -6.945) 7.124 7.357 ( -2.859 2.026 -3.475) 4.935 7.529 ( -0.276 4.448 0.029) 4.456 7.704 ( 7.065 1.832 -2.261) 7.641 7.817 ( 9.593 -3.234 -2.421) 10.409 7.962 ( -5.588 -7.339 -2.796) 9.639 8.219 ( 3.303 16.204 -5.783) 17.519 8.370 ( 3.131 2.839 1.114) 4.371 8.487 ( 5.733 -0.664 -5.220) 7.782 8.586 ( -1.882 6.571 3.144) 7.524 8.713 ( 15.433 6.181 0.981) 16.653 8.853 ( -3.838 0.813 3.130) 5.019 8.963 ( -3.364 -4.353 0.478) 5.522 9.073 ( 2.523 9.816 -6.020) 11.788 9.290 ( -0.694 2.079 1.373) 2.586 9.371 ( 7.002 3.364 4.738) 9.099 9.454 ( 3.808 -5.121 1.841) 6.642 9.864 ( -7.914 1.280 -7.015) 10.653 9.962 ( -7.864 -1.680 -2.029) 8.294 10.015 ( -3.935 0.718 -2.570) 4.754 10.323 ( 10.460 -7.576 -5.835) 14.172 10.469 ( 2.233 1.051 -5.827) 6.328 10.685 ( -8.888 12.821 -6.779) 17.010 10.801 ( 5.339 6.181 2.321) 8.491 11.075 ( 1.133 -9.400 -9.309) 13.278 11.278 ( 4.287 6.694 2.164) 8.239 11.464 ( -15.868 -23.166 5.584) 28.629 11.717 ( -3.233 -10.488 -3.938) 11.661 11.747 ( -6.675 -14.120 -7.654) 17.393 11.892 ( -2.055 -7.655 0.590) 7.948 12.025 ( -2.279 -17.570 -4.833) 18.365 12.367 ( 12.820 -15.514 -0.908) 20.146 12.402 ( -0.794 -10.791 -7.990) 13.451 12.561 ( 8.579 -13.196 -11.255) 19.350 13.340 ( -11.027 22.379 5.548) 25.558 13.375 ( -4.067 3.656 3.623) 6.560 13.577 ( -4.299 5.617 3.420) 7.856 13.687 ( 2.231 9.154 -2.650) 9.787 13.804 ( -2.946 -2.735 0.716) 4.083 13.984 ( 8.017 4.458 5.044) 10.468 14.260 ( 10.794 11.472 11.965) 19.781 14.456 ( -0.865 13.139 8.199) 15.511 14.635 ( 2.153 -0.104 7.797) 8.089 14.735 ( 3.981 9.847 7.515) 13.011 14.830 ( -11.141 14.548 -0.731) 18.339 15.103 ( -7.233 -4.343 7.463) 11.263 15.546 ( 5.988 0.720 -0.720) 6.074 15.559 ( -0.032 2.057 3.288) 3.879 15.786 ( 8.547 -17.167 7.659) 20.650 15.899 ( -2.479 -4.413 11.532) 12.594 16.246 ( 2.900 -4.654 9.034) 10.568 16.326 ( -6.241 -9.090 -0.198) 11.028 16.427 ( 0.591 0.573 1.849) 2.024 16.585 ( 2.047 -4.193 4.091) 6.205 16.767 ( -1.697 -11.290 -0.391) 11.424 16.787 ( -4.732 -1.203 2.889) 5.673 16.858 ( -4.192 -0.675 3.162) 5.294 17.128 ( -5.652 2.372 1.056) 6.220 17.204 ( -3.138 6.611 4.585) 8.636 17.283 ( -0.846 15.131 -1.671) 15.246 17.556 ( 12.346 -1.836 0.714) 12.502 17.859 ( 2.194 1.721 -1.068) 2.986 18.521 ( 5.257 19.040 -25.616) 32.347 18.810 ( -1.701 -0.857 -2.500) 3.144 18.893 ( 1.399 5.272 -0.664) 5.495 19.084 ( 1.946 -2.990 -2.112) 4.146 19.219 ( 2.978 3.278 -2.906) 5.297 19.387 ( 7.167 -2.456 -12.441) 14.567 20.051 ( -5.112 -4.523 3.863) 7.843 20.092 ( -12.721 -5.278 1.763) 13.885 21.113 ( 4.093 -0.397 0.462) 4.138 21.162 ( 9.845 -3.337 -2.441) 10.678 21.340 ( 0.334 0.100 0.138) 0.375 21.446 ( -0.965 -1.732 0.372) 2.017 23.041 ( 2.992 9.746 -32.913) 34.455 23.680 ( -6.937 12.087 -30.534) 33.564 24.241 ( 4.444 -6.237 -19.526) 20.974 24.661 ( 6.874 -2.191 2.908) 7.778 24.868 ( -0.505 0.436 16.177) 16.190 25.131 ( -2.950 -0.645 -4.971) 5.816 25.188 ( -0.043 9.861 -2.665) 10.215 25.323 ( -1.463 0.960 -1.022) 2.027 25.402 ( 2.160 -0.567 1.845) 2.897 25.542 ( -0.835 0.115 4.117) 4.202 25.634 ( 1.398 -3.202 6.262) 7.170 26.057 ( -10.865 -12.157 14.695) 21.950 ======================= Grid point 58 (23/96) ======================= q-point: ( 0.33 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 38.049 18.589 11.754) 43.948 2.267 ( 31.963 25.500 19.617) 45.350 3.319 ( 5.739 14.521 14.508) 21.314 3.534 ( -32.130 11.820 9.762) 35.600 3.684 ( 18.186 8.574 18.396) 27.252 4.428 ( 9.681 -11.051 6.633) 16.119 4.489 ( -0.702 -7.444 7.361) 10.492 4.621 ( 0.973 -3.906 10.449) 11.198 4.858 ( 0.031 -2.393 4.931) 5.481 4.915 ( 0.072 3.133 9.925) 10.408 5.368 ( -1.375 1.884 0.765) 2.454 5.424 ( -11.102 -3.006 -0.391) 11.508 5.631 ( -4.992 5.186 0.280) 7.203 5.843 ( -13.108 -12.441 6.129) 19.083 6.042 ( -13.723 -6.037 4.455) 15.640 6.122 ( 6.435 0.538 -3.580) 7.383 6.265 ( -0.347 -6.924 -2.127) 7.252 6.333 ( -0.105 -7.554 3.305) 8.246 6.633 ( 1.813 -10.003 -4.819) 11.250 6.746 ( -3.413 -8.831 -2.161) 9.711 6.878 ( 2.856 8.856 -0.465) 9.316 6.992 ( 1.961 15.929 -3.890) 16.513 7.108 ( -8.662 10.564 -6.756) 15.240 7.384 ( -6.624 0.144 -2.733) 7.167 7.503 ( 6.546 -4.757 1.423) 8.216 7.767 ( 0.225 -0.990 -0.079) 1.018 7.855 ( -3.616 -5.294 -1.634) 6.616 7.946 ( -0.025 -3.407 0.264) 3.417 8.305 ( 5.614 19.298 -3.600) 20.418 8.411 ( 4.646 7.014 1.607) 8.565 8.499 ( -0.700 8.998 3.248) 9.591 8.726 ( 10.851 -2.633 -4.890) 12.189 8.825 ( -5.365 -3.289 -3.183) 7.052 8.893 ( 7.528 -2.117 3.305) 8.490 9.034 ( 10.033 2.285 -2.670) 10.631 9.143 ( 4.405 4.312 -9.686) 11.481 9.284 ( -0.898 -2.215 -3.095) 3.910 9.412 ( 5.419 -7.613 -3.572) 10.004 9.575 ( -11.039 0.593 -3.067) 11.472 9.710 ( 0.219 1.439 6.381) 6.545 9.808 ( -3.940 6.363 -0.790) 7.525 9.970 ( 2.734 8.828 1.777) 9.411 10.278 ( -11.985 3.989 -7.602) 14.742 10.469 ( -6.642 1.605 -0.334) 6.841 10.729 ( 13.617 0.074 -8.927) 16.282 10.896 ( 4.200 -9.763 3.163) 11.089 11.075 ( -2.153 -11.999 -7.303) 14.211 11.167 ( -14.184 -18.291 -0.945) 23.166 11.423 ( 7.564 1.777 3.234) 8.416 11.588 ( -3.271 -4.602 -15.737) 16.720 11.708 ( -3.061 2.310 -13.351) 13.891 11.831 ( -3.022 -12.508 -1.016) 12.908 11.983 ( 0.267 -5.635 2.765) 6.283 12.332 ( -7.790 -4.123 0.852) 8.855 12.555 ( 6.767 -19.054 3.649) 20.547 12.664 ( 1.328 -18.794 -3.498) 19.163 13.229 ( 0.902 13.240 3.524) 13.731 13.362 ( 3.494 6.381 -2.354) 7.646 13.537 ( -1.201 8.209 3.056) 8.842 13.615 ( -8.440 -2.466 -1.059) 8.856 13.820 ( 2.421 13.850 -6.334) 15.421 14.012 ( -6.214 16.270 5.324) 18.212 14.370 ( 6.504 8.508 10.598) 15.066 14.551 ( 4.449 5.328 1.192) 7.043 14.712 ( 6.212 7.234 6.226) 11.388 14.762 ( 4.633 -2.554 1.587) 5.523 14.828 ( 4.862 8.678 7.202) 12.281 15.050 ( -0.420 0.585 8.708) 8.737 15.422 ( -8.863 -7.569 4.805) 12.607 15.539 ( -10.553 -13.211 7.166) 18.364 15.726 ( 3.549 4.408 8.466) 10.183 16.146 ( -10.394 -1.292 6.214) 12.179 16.188 ( 16.013 -0.543 3.198) 16.338 16.345 ( 4.036 -10.143 3.310) 11.407 16.467 ( 0.934 3.500 2.328) 4.306 16.584 ( -2.858 -4.932 4.614) 7.334 16.659 ( -2.130 -12.114 1.793) 12.430 16.746 ( 0.017 1.691 2.149) 2.734 16.828 ( -0.199 -3.003 7.281) 7.879 16.992 ( -8.962 0.909 -0.034) 9.008 17.154 ( -1.847 11.308 1.150) 11.516 17.231 ( -4.229 16.277 -1.889) 16.923 17.754 ( 8.390 -2.733 -4.278) 9.806 17.889 ( 0.479 0.708 -2.662) 2.796 18.617 ( 4.752 7.687 -11.017) 14.249 18.766 ( -3.138 0.509 -2.511) 4.051 18.932 ( 3.025 4.053 0.694) 5.105 19.064 ( -2.964 -0.162 -2.053) 3.609 19.369 ( 11.389 -0.453 -5.374) 12.601 19.542 ( 9.047 -5.492 -7.727) 13.104 19.860 ( -12.032 -3.399 -2.195) 12.694 19.924 ( -8.398 -5.235 1.508) 10.011 21.204 ( 5.253 -0.017 1.476) 5.456 21.296 ( 4.218 -1.961 -1.120) 4.784 21.342 ( 0.008 -1.341 0.605) 1.471 21.420 ( -1.824 -1.737 -0.026) 2.519 23.132 ( 6.945 11.087 -32.343) 34.889 23.501 ( -11.252 13.449 -30.066) 34.805 24.393 ( 10.439 -11.371 -21.314) 26.316 24.705 ( -2.991 -8.769 -10.251) 13.817 24.889 ( 3.351 3.620 16.504) 17.225 25.058 ( -4.745 3.153 7.473) 9.397 25.199 ( 1.379 7.660 -1.898) 8.011 25.285 ( -2.516 2.866 -0.507) 3.847 25.448 ( 2.590 -1.653 1.854) 3.589 25.518 ( -1.400 -1.013 3.291) 3.717 25.673 ( 2.807 -4.603 6.824) 8.697 25.869 ( -8.630 -7.711 14.109) 18.248 ======================= Grid point 59 (24/96) ======================= q-point: (-0.50 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -16.381 11.123 11.513) 22.905 2.737 ( 16.381 11.123 11.513) 22.905 2.960 ( -13.013 20.322 10.643) 26.374 2.960 ( 13.013 20.322 10.643) 26.374 4.415 ( -24.825 3.395 9.273) 26.716 4.415 ( 24.825 3.395 9.273) 26.716 4.524 ( -9.182 -3.563 8.329) 12.899 4.524 ( 9.182 -3.563 8.329) 12.899 4.894 ( -6.692 -6.343 3.564) 9.885 4.894 ( 6.692 -6.343 3.564) 9.885 5.272 ( -4.451 1.066 13.786) 14.526 5.272 ( 4.451 1.066 13.786) 14.526 5.554 ( -0.513 3.022 3.348) 4.539 5.554 ( 0.513 3.022 3.348) 4.539 6.085 ( -5.988 -12.336 -4.442) 14.414 6.085 ( 5.988 -12.336 -4.442) 14.414 6.327 ( -2.176 -6.547 3.742) 7.848 6.327 ( 2.176 -6.547 3.742) 7.848 6.682 ( -3.378 -10.876 -4.748) 12.339 6.682 ( 3.378 -10.876 -4.748) 12.339 6.967 ( -6.230 9.713 -6.002) 13.007 6.967 ( 6.230 9.713 -6.002) 13.007 7.146 ( -13.564 14.638 -1.770) 20.035 7.146 ( 13.564 14.638 -1.770) 20.035 7.686 ( -8.886 -10.051 -0.784) 13.439 7.686 ( 8.886 -10.051 -0.784) 13.439 7.871 ( -4.765 0.402 0.901) 4.866 7.871 ( 4.765 0.402 0.901) 4.866 8.412 ( -5.040 17.091 -0.025) 17.819 8.412 ( 5.040 17.091 -0.025) 17.819 8.613 ( -11.224 1.590 1.195) 11.399 8.613 ( 11.224 1.590 1.195) 11.399 8.958 ( -5.981 -9.195 -4.348) 11.799 8.958 ( 5.981 -9.195 -4.348) 11.799 9.180 ( -5.542 -1.569 -4.964) 7.604 9.180 ( 5.542 -1.569 -4.964) 7.604 9.282 ( -11.098 2.693 -6.131) 12.962 9.282 ( 11.098 2.693 -6.131) 12.962 9.598 ( -10.441 -2.650 -0.468) 10.782 9.598 ( 10.441 -2.650 -0.468) 10.782 9.916 ( -11.168 12.528 -1.669) 16.866 9.916 ( 11.168 12.528 -1.669) 16.866 10.279 ( -12.890 5.304 4.993) 14.806 10.279 ( 12.890 5.304 4.993) 14.806 10.931 ( -9.428 -13.145 -3.633) 16.579 10.931 ( 9.428 -13.145 -3.633) 16.579 11.005 ( -5.392 -12.834 -3.980) 14.478 11.005 ( 5.392 -12.834 -3.980) 14.478 11.524 ( -4.805 -9.411 -13.986) 17.529 11.524 ( 4.805 -9.411 -13.986) 17.529 11.740 ( -6.038 3.644 -5.285) 8.813 11.740 ( 6.038 3.644 -5.285) 8.813 12.122 ( -12.718 2.432 6.893) 14.669 12.122 ( 12.718 2.432 6.893) 14.669 12.640 ( -3.013 -18.971 1.868) 19.300 12.640 ( 3.013 -18.971 1.868) 19.300 13.350 ( -8.879 1.083 1.637) 9.093 13.350 ( 8.879 1.083 1.637) 9.093 13.514 ( -3.392 5.345 -5.943) 8.683 13.514 ( 3.392 5.345 -5.943) 8.683 13.880 ( -5.478 19.244 1.499) 20.064 13.880 ( 5.478 19.244 1.499) 20.064 14.510 ( -6.744 7.833 6.921) 12.439 14.510 ( 6.744 7.833 6.921) 12.439 14.812 ( -1.752 -2.023 2.438) 3.620 14.812 ( 1.752 -2.023 2.438) 3.620 14.982 ( -8.194 5.068 6.996) 11.907 14.982 ( 8.194 5.068 6.996) 11.907 15.356 ( -4.824 -10.073 7.012) 13.187 15.356 ( 4.824 -10.073 7.012) 13.187 15.899 ( -13.439 1.227 7.075) 15.237 15.899 ( 13.439 1.227 7.075) 15.237 16.405 ( -5.607 6.101 4.764) 9.558 16.405 ( 5.607 6.101 4.764) 9.558 16.456 ( -7.614 -13.934 1.132) 15.919 16.456 ( 7.614 -13.934 1.132) 15.919 16.759 ( -5.683 -5.370 8.590) 11.616 16.759 ( 5.683 -5.370 8.590) 11.616 16.827 ( -6.216 1.190 -1.206) 6.443 16.827 ( 6.216 1.190 -1.206) 6.443 17.160 ( -2.653 14.944 -1.048) 15.213 17.160 ( 2.653 14.944 -1.048) 15.213 17.863 ( -3.513 -0.736 -4.512) 5.766 17.863 ( 3.513 -0.736 -4.512) 5.766 18.698 ( -4.082 3.062 -4.575) 6.854 18.698 ( 4.082 3.062 -4.575) 6.854 18.999 ( -3.846 2.330 0.014) 4.497 18.999 ( 3.846 2.330 0.014) 4.497 19.588 ( -10.309 -4.763 -5.054) 12.430 19.588 ( 10.309 -4.763 -5.054) 12.430 19.762 ( -7.363 -4.065 -2.744) 8.847 19.762 ( 7.363 -4.065 -2.744) 8.847 21.288 ( -3.416 0.012 1.664) 3.799 21.288 ( 3.416 0.012 1.664) 3.799 21.379 ( -2.667 -2.211 -0.460) 3.495 21.379 ( 2.667 -2.211 -0.460) 3.495 23.295 ( -10.406 12.294 -31.341) 35.237 23.295 ( 10.406 12.294 -31.341) 35.237 24.583 ( -9.212 -11.648 -19.501) 24.512 24.583 ( 9.212 -11.648 -19.501) 24.512 24.968 ( -4.736 4.779 15.758) 17.135 24.968 ( 4.736 4.779 15.758) 17.135 25.236 ( -2.493 5.233 -0.764) 5.846 25.236 ( 2.493 5.233 -0.764) 5.846 25.490 ( -1.828 -1.544 2.424) 3.406 25.490 ( 1.828 -1.544 2.424) 3.406 25.744 ( -5.081 -6.110 9.984) 12.760 25.744 ( 5.081 -6.110 9.984) 12.760 ======================= Grid point 63 (25/96) ======================= q-point: ( 0.00 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 0.000 42.030 11.899) 43.682 2.017 ( 0.000 38.165 22.326) 44.216 3.233 ( 0.000 42.693 30.207) 52.298 3.555 ( 0.000 -33.689 1.629) 33.728 3.557 ( 0.000 -23.761 9.752) 25.685 4.293 ( 0.000 5.537 14.280) 15.316 4.524 ( 0.000 -6.673 14.421) 15.891 4.689 ( 0.000 -11.375 4.191) 12.123 5.005 ( 0.000 4.660 12.457) 13.300 5.051 ( 0.000 5.752 3.794) 6.891 5.394 ( 0.000 3.130 1.112) 3.322 5.486 ( 0.000 -10.008 1.695) 10.151 5.528 ( 0.000 10.266 -0.922) 10.308 5.868 ( 0.000 7.283 3.528) 8.093 5.967 ( 0.000 -5.698 -8.625) 10.337 6.071 ( 0.000 -7.824 3.201) 8.454 6.160 ( 0.000 -3.632 -10.034) 10.671 6.529 ( 0.000 -19.882 -1.626) 19.948 6.622 ( 0.000 0.750 9.659) 9.688 6.656 ( 0.000 -1.971 6.977) 7.250 7.058 ( 0.000 3.427 -3.673) 5.023 7.151 ( 0.000 -4.571 -4.693) 6.551 7.314 ( 0.000 9.294 -1.404) 9.399 7.585 ( 0.000 -2.040 -5.192) 5.579 7.609 ( 0.000 8.437 0.144) 8.438 7.621 ( 0.000 4.913 -1.865) 5.255 7.760 ( 0.000 3.266 -5.955) 6.792 7.880 ( 0.000 -4.059 -3.214) 5.178 8.294 ( 0.000 -0.857 -4.680) 4.758 8.376 ( 0.000 -5.278 -3.845) 6.530 8.515 ( 0.000 5.580 1.288) 5.727 8.596 ( 0.000 4.178 -2.091) 4.672 8.807 ( 0.000 15.957 -3.129) 16.261 8.926 ( 0.000 3.878 0.603) 3.925 8.996 ( 0.000 6.461 8.333) 10.544 9.202 ( 0.000 0.131 -1.603) 1.608 9.236 ( 0.000 -11.870 -1.595) 11.977 9.508 ( 0.000 15.252 -2.205) 15.411 9.640 ( 0.000 16.155 -0.607) 16.167 9.710 ( 0.000 -8.800 2.054) 9.037 10.006 ( 0.000 -5.258 0.617) 5.294 10.124 ( 0.000 7.451 -11.573) 13.764 10.151 ( 0.000 -0.351 -1.116) 1.169 10.490 ( 0.000 9.752 -5.776) 11.334 10.765 ( 0.000 -18.635 -6.333) 19.682 10.980 ( 0.000 -3.190 -9.969) 10.467 11.075 ( 0.000 2.637 -1.598) 3.084 11.183 ( 0.000 -11.529 6.121) 13.053 11.248 ( 0.000 -10.180 2.294) 10.435 11.332 ( 0.000 0.413 5.732) 5.747 11.531 ( 0.000 -6.287 -2.067) 6.618 11.631 ( 0.000 -21.055 -3.685) 21.375 11.773 ( 0.000 -9.544 3.898) 10.310 11.882 ( 0.000 -16.609 -10.066) 19.421 12.239 ( 0.000 -4.795 -12.022) 12.943 12.373 ( 0.000 -8.220 -5.791) 10.055 13.465 ( 0.000 3.841 11.958) 12.560 13.720 ( 0.000 -5.641 1.940) 5.966 13.791 ( 0.000 7.528 -4.604) 8.824 13.817 ( 0.000 7.600 5.279) 9.253 13.884 ( 0.000 13.774 -10.907) 17.570 14.039 ( 0.000 16.880 -1.793) 16.975 14.359 ( 0.000 12.129 12.483) 17.405 14.662 ( 0.000 6.716 6.466) 9.323 14.884 ( 0.000 16.879 11.469) 20.407 14.934 ( 0.000 2.691 -2.393) 3.601 15.112 ( 0.000 -8.330 1.795) 8.521 15.138 ( 0.000 -8.839 0.022) 8.839 15.331 ( 0.000 12.535 2.206) 12.728 15.472 ( 0.000 -5.609 6.191) 8.354 15.743 ( 0.000 17.596 5.671) 18.487 15.870 ( 0.000 -3.932 19.688) 20.077 15.922 ( 0.000 -15.402 15.486) 21.842 16.261 ( 0.000 -7.069 -0.266) 7.074 16.360 ( 0.000 -10.630 1.272) 10.706 16.414 ( 0.000 -6.282 -0.814) 6.334 16.550 ( 0.000 -8.016 1.095) 8.090 16.615 ( 0.000 -12.990 6.838) 14.680 17.016 ( 0.000 6.874 -2.004) 7.160 17.191 ( 0.000 -1.345 -0.682) 1.508 17.365 ( 0.000 4.222 1.093) 4.361 17.368 ( 0.000 3.275 5.000) 5.977 17.695 ( 0.000 13.829 0.300) 13.832 17.872 ( 0.000 1.716 -1.006) 1.990 18.750 ( 0.000 5.641 -21.461) 22.190 18.801 ( 0.000 -0.932 -8.269) 8.322 18.993 ( 0.000 2.729 -3.877) 4.742 19.023 ( 0.000 -1.021 2.932) 3.105 19.240 ( 0.000 3.364 -7.430) 8.156 19.327 ( 0.000 0.715 -13.972) 13.990 20.012 ( 0.000 -4.208 6.612) 7.838 20.082 ( 0.000 -7.760 6.208) 9.938 21.026 ( 0.000 0.469 -0.001) 0.469 21.056 ( 0.000 -0.952 -0.295) 0.997 21.346 ( 0.000 0.758 1.234) 1.448 21.413 ( 0.000 -2.387 1.228) 2.685 23.246 ( 0.000 13.893 -34.282) 36.990 23.729 ( 0.000 -7.010 -32.609) 33.354 24.347 ( 0.000 9.010 -25.205) 26.767 24.565 ( 0.000 -0.399 4.788) 4.805 24.891 ( 0.000 1.506 19.733) 19.790 25.072 ( 0.000 -6.341 -4.437) 7.740 25.317 ( 0.000 2.097 -1.418) 2.532 25.336 ( 0.000 -0.220 -0.184) 0.287 25.422 ( 0.000 3.614 0.732) 3.688 25.525 ( 0.000 -2.186 2.900) 3.631 25.626 ( 0.000 2.965 8.558) 9.057 25.897 ( 0.000 -11.674 13.467) 17.823 ======================= Grid point 64 (26/96) ======================= q-point: ( 0.17 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 17.743 39.341 9.228) 44.132 2.308 ( 25.260 32.858 19.758) 45.914 3.419 ( 19.536 34.456 25.814) 47.278 3.566 ( 1.483 -27.454 3.099) 27.668 3.699 ( 12.668 -22.213 8.940) 27.089 4.129 ( -13.205 5.730 12.881) 19.317 4.512 ( -1.564 -5.323 13.027) 14.159 4.743 ( -7.686 5.389 3.606) 10.056 4.846 ( -2.770 0.643 6.009) 6.648 5.037 ( 0.445 7.492 13.220) 15.202 5.353 ( -4.340 -10.657 0.001) 11.506 5.463 ( -4.032 -8.253 0.816) 9.222 5.550 ( -3.834 -0.430 2.597) 4.650 5.830 ( 1.187 10.211 -1.079) 10.337 5.979 ( -0.915 -15.903 -2.467) 16.120 6.070 ( 2.295 1.860 -4.119) 5.069 6.223 ( 3.794 -1.413 -3.503) 5.354 6.455 ( -8.316 -3.031 0.351) 8.858 6.543 ( -6.440 -11.169 2.359) 13.107 6.634 ( -4.773 -6.719 4.974) 9.626 7.027 ( -3.285 3.234 1.746) 4.930 7.093 ( -1.716 3.257 0.868) 3.783 7.336 ( 3.606 9.511 -4.602) 11.164 7.503 ( -8.077 8.582 -4.291) 12.542 7.594 ( -3.430 1.710 1.382) 4.074 7.714 ( 9.587 -5.450 -3.112) 11.459 7.809 ( 2.615 3.659 -4.328) 6.241 7.852 ( -1.419 0.197 -3.017) 3.340 8.367 ( 7.208 -0.723 -5.522) 9.109 8.400 ( 2.632 -6.461 -3.114) 7.640 8.557 ( 3.416 4.866 1.108) 6.048 8.619 ( 1.695 5.167 -2.882) 6.155 8.836 ( -1.349 2.954 0.307) 3.262 8.946 ( 2.858 5.708 3.666) 7.361 8.988 ( 3.931 15.684 0.165) 16.170 9.200 ( -2.789 -10.854 -2.066) 11.396 9.223 ( -1.604 -3.488 -1.107) 3.995 9.463 ( -5.267 17.827 -1.777) 18.673 9.574 ( 2.982 4.672 1.721) 5.803 9.764 ( 4.160 -1.393 -1.045) 4.510 9.914 ( -11.055 -1.898 -6.736) 13.083 10.207 ( 11.893 -0.881 -3.496) 12.427 10.272 ( 4.070 9.371 -1.528) 10.330 10.467 ( -2.564 2.736 -6.737) 7.710 10.764 ( -2.894 -17.007 -2.580) 17.443 10.852 ( -8.295 1.813 -6.186) 10.505 10.953 ( -4.877 -2.989 -4.201) 7.097 11.090 ( -12.090 -0.292 1.920) 12.245 11.283 ( 5.321 -19.870 2.111) 20.678 11.461 ( -7.829 -11.429 -4.120) 14.453 11.488 ( 7.340 -5.479 4.489) 10.200 11.643 ( 1.687 -8.402 -6.292) 10.632 11.739 ( 4.737 -9.616 1.625) 10.842 12.090 ( 13.120 -15.231 -5.090) 20.737 12.229 ( -0.369 -4.320 -7.539) 8.697 12.378 ( 0.241 -7.289 -6.774) 9.953 13.452 ( 0.920 6.179 3.128) 6.987 13.622 ( -6.923 5.223 -0.705) 8.700 13.755 ( -5.277 4.725 -2.264) 7.436 13.800 ( -3.773 7.877 3.250) 9.319 13.992 ( 9.629 13.990 -5.390) 17.819 14.141 ( 9.345 14.154 2.474) 17.140 14.419 ( 6.088 3.143 9.775) 11.937 14.618 ( -3.405 4.275 9.377) 10.854 14.739 ( -11.995 8.698 0.589) 14.829 14.921 ( -7.517 -8.327 7.420) 13.450 15.050 ( 3.694 12.898 4.857) 14.269 15.095 ( -2.041 3.049 2.954) 4.711 15.276 ( -7.423 -2.549 3.618) 8.643 15.540 ( -0.640 -4.822 4.047) 6.328 15.787 ( 2.526 -1.096 9.019) 9.430 15.929 ( 13.144 8.615 8.288) 17.767 16.047 ( 6.151 -10.094 12.478) 17.188 16.213 ( -2.977 -2.966 1.861) 4.596 16.372 ( -0.896 -8.730 3.208) 9.344 16.405 ( 2.928 -8.944 2.211) 9.667 16.535 ( -2.404 -7.953 6.171) 10.350 16.673 ( 4.050 -9.666 0.409) 10.488 16.952 ( -6.075 6.965 -1.332) 9.337 17.134 ( -5.999 -1.401 -0.773) 6.209 17.338 ( -0.132 6.376 2.558) 6.871 17.462 ( 7.465 0.921 -1.132) 7.606 17.677 ( -1.874 12.411 0.307) 12.555 17.891 ( 1.154 0.809 -1.114) 1.797 18.757 ( 0.787 6.542 -17.713) 18.899 18.807 ( 0.524 0.950 -6.722) 6.809 18.991 ( 0.012 2.977 -1.587) 3.373 19.031 ( 0.713 -2.470 -0.253) 2.583 19.273 ( 3.588 2.707 -5.436) 7.054 19.351 ( 2.763 -0.772 -12.524) 12.848 19.947 ( -6.576 -5.253 5.690) 10.160 19.973 ( -9.903 -6.141 4.511) 12.495 21.104 ( 4.949 -0.398 0.201) 4.969 21.116 ( 7.450 -1.402 -0.522) 7.599 21.346 ( -0.168 0.582 1.220) 1.362 21.405 ( -0.785 -2.238 1.093) 2.612 23.287 ( 4.427 14.657 -33.634) 36.955 23.786 ( 4.949 -4.639 -31.751) 32.468 24.215 ( -9.941 6.617 -21.219) 24.349 24.587 ( -1.323 -6.275 -5.526) 8.465 24.913 ( 3.150 4.151 17.433) 18.195 25.103 ( 2.701 -2.765 1.103) 4.020 25.321 ( 0.427 2.880 -1.540) 3.293 25.336 ( 0.032 0.169 0.395) 0.431 25.399 ( -1.733 1.579 2.155) 3.184 25.529 ( -0.274 -2.409 2.864) 3.752 25.601 ( -2.151 1.581 8.451) 8.863 25.833 ( -6.133 -9.920 14.135) 18.326 ======================= Grid point 65 (27/96) ======================= q-point: ( 0.33 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 27.441 29.778 8.265) 41.329 2.809 ( 26.304 28.113 15.036) 41.332 3.514 ( -8.964 -2.678 5.316) 10.760 3.668 ( -16.685 -3.243 11.650) 20.607 3.950 ( 31.391 12.826 14.871) 37.028 4.154 ( 16.679 -7.961 3.704) 18.849 4.477 ( -10.723 8.536 10.366) 17.184 4.501 ( 3.233 -1.359 10.911) 11.461 4.908 ( 0.343 2.856 0.616) 2.942 4.981 ( -12.984 0.650 9.347) 16.011 5.214 ( -3.879 -9.517 9.698) 14.130 5.367 ( -3.296 -11.672 -3.179) 12.538 5.500 ( -1.160 -6.231 -0.344) 6.348 5.834 ( -5.396 8.850 1.811) 10.522 5.950 ( -0.621 -14.020 1.999) 14.175 6.137 ( -3.502 -4.218 -0.026) 5.482 6.150 ( -9.586 4.044 1.920) 10.580 6.241 ( -7.665 0.700 7.899) 11.029 6.437 ( -1.170 -8.357 -2.022) 8.677 6.544 ( -4.641 -10.667 0.133) 11.634 7.029 ( 4.226 6.475 -0.483) 7.747 7.150 ( 7.075 0.547 -2.390) 7.488 7.346 ( -8.371 9.901 -5.513) 14.089 7.422 ( 1.421 8.030 -5.250) 9.699 7.528 ( 0.211 2.656 2.456) 3.624 7.766 ( -4.322 2.079 -1.582) 5.051 7.842 ( 1.886 -2.689 -0.091) 3.286 7.882 ( 2.284 0.805 -0.473) 2.467 8.455 ( 4.729 -1.936 -2.345) 5.622 8.530 ( 5.831 0.640 -2.514) 6.382 8.616 ( 4.862 -4.974 -3.292) 7.695 8.675 ( 4.451 11.809 -2.179) 12.807 8.804 ( -0.386 -2.338 3.686) 4.381 8.930 ( -3.781 5.860 5.501) 8.882 9.074 ( -3.428 -3.963 -6.681) 8.491 9.143 ( -3.393 -5.294 -2.515) 6.772 9.226 ( 9.021 5.046 -1.890) 10.507 9.450 ( 4.169 11.684 -6.949) 14.219 9.593 ( -7.556 -0.225 -7.721) 10.805 9.704 ( -5.675 -1.626 -0.693) 5.943 9.955 ( 14.029 6.521 4.972) 16.250 10.259 ( -0.530 18.009 -0.025) 18.017 10.359 ( -5.475 5.191 -8.142) 11.100 10.430 ( 5.090 -7.669 -0.956) 9.254 10.625 ( -10.088 -15.608 2.917) 18.812 10.744 ( -5.939 -2.148 -2.248) 6.703 10.858 ( -2.115 5.040 -8.073) 9.749 10.995 ( -1.043 -7.018 -6.424) 9.571 11.321 ( -4.440 -8.161 0.900) 9.334 11.353 ( -0.156 -16.167 -7.490) 17.818 11.489 ( -0.300 -19.823 3.782) 20.183 11.660 ( -2.927 -15.044 -1.276) 15.379 11.950 ( 14.867 6.930 -1.237) 16.450 12.208 ( 0.366 -3.968 -2.556) 4.734 12.307 ( 6.798 -9.707 -4.398) 12.641 12.378 ( -0.167 -7.973 -8.133) 11.390 13.507 ( -3.806 11.017 -0.264) 11.659 13.523 ( 4.252 7.736 -3.764) 9.597 13.617 ( -7.697 5.802 1.198) 9.713 13.723 ( -3.967 8.294 -2.622) 9.560 14.159 ( 7.127 17.936 -1.980) 19.401 14.285 ( 4.921 11.517 4.194) 13.208 14.487 ( -7.700 4.907 4.824) 10.327 14.551 ( 6.154 -6.671 3.968) 9.905 14.669 ( 3.792 0.249 9.794) 10.506 14.774 ( -6.759 -6.806 6.370) 11.514 15.057 ( 1.527 -2.155 3.902) 4.712 15.108 ( -8.758 -7.219 8.817) 14.372 15.199 ( 6.196 15.440 6.789) 17.968 15.414 ( -8.449 2.495 5.074) 10.166 15.906 ( 4.445 7.016 7.003) 10.864 16.032 ( 3.521 -11.714 2.411) 12.467 16.144 ( -6.329 3.361 8.119) 10.829 16.164 ( 3.205 -14.496 3.072) 15.160 16.428 ( 3.119 -7.397 4.345) 9.128 16.475 ( 0.823 0.451 1.941) 2.156 16.501 ( 6.891 -6.128 7.342) 11.788 16.736 ( 3.492 -3.769 0.089) 5.139 16.829 ( -6.664 4.914 2.502) 8.650 16.992 ( -8.749 -1.214 -1.156) 8.908 17.366 ( 3.182 10.274 0.357) 10.762 17.550 ( -2.361 12.680 -3.299) 13.313 17.687 ( 6.305 -2.711 -1.292) 6.984 17.888 ( -1.842 -1.636 -2.551) 3.546 18.776 ( 1.215 7.577 -9.713) 12.379 18.813 ( -0.146 4.783 -4.884) 6.838 19.002 ( 1.285 1.650 -1.070) 2.350 19.041 ( 0.090 -2.557 -2.216) 3.385 19.370 ( 6.827 0.850 -3.671) 7.798 19.434 ( 5.982 -4.218 -7.548) 10.514 19.770 ( -10.781 -5.128 0.377) 11.944 19.797 ( -9.175 -6.867 2.843) 11.807 21.205 ( 5.472 0.220 0.721) 5.524 21.248 ( 6.018 -2.256 -0.287) 6.434 21.334 ( -1.284 0.259 1.186) 1.767 21.382 ( -1.818 -1.985 0.758) 2.796 23.409 ( 8.649 16.394 -31.758) 36.771 23.794 ( -7.201 13.746 -27.767) 31.809 24.136 ( 4.577 -12.411 -24.898) 28.194 24.487 ( -8.553 -13.372 -15.147) 21.941 25.001 ( 5.593 7.379 15.325) 17.905 25.137 ( 0.132 4.064 8.308) 9.250 25.322 ( -0.316 3.061 0.203) 3.084 25.343 ( -0.271 4.003 0.862) 4.103 25.385 ( 1.562 -4.791 4.357) 6.662 25.504 ( -2.097 -0.200 4.224) 4.720 25.575 ( -0.227 -4.417 6.777) 8.092 25.706 ( -6.769 -7.935 13.338) 16.932 ======================= Grid point 66 (28/96) ======================= q-point: (-0.50 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.056 ( -18.190 19.654 10.111) 28.625 3.056 ( 18.190 19.654 10.111) 28.625 3.347 ( -12.594 15.342 9.633) 22.062 3.347 ( 12.594 15.342 9.633) 22.062 4.329 ( -6.288 -7.441 7.483) 12.284 4.329 ( 6.288 -7.441 7.483) 12.284 4.540 ( -28.940 -5.354 6.479) 30.135 4.540 ( 28.940 -5.354 6.479) 30.135 4.783 ( -16.524 3.722 0.416) 16.943 4.783 ( 16.524 3.722 0.416) 16.943 5.294 ( -6.857 -6.119 6.169) 11.069 5.294 ( 6.857 -6.119 6.169) 11.069 5.550 ( -11.559 3.272 9.035) 15.031 5.550 ( 11.559 3.272 9.035) 15.031 6.002 ( -5.733 4.283 -0.432) 7.170 6.002 ( 5.733 4.283 -0.432) 7.170 6.156 ( -3.829 -11.186 7.479) 13.990 6.156 ( 3.829 -11.186 7.479) 13.990 6.464 ( -3.508 -10.651 -2.264) 11.441 6.464 ( 3.508 -10.651 -2.264) 11.441 7.165 ( -8.624 9.219 -5.761) 13.876 7.165 ( 8.624 9.219 -5.761) 13.876 7.321 ( -7.850 1.807 -4.351) 9.155 7.321 ( 7.850 1.807 -4.351) 9.155 7.648 ( -8.060 6.398 0.897) 10.330 7.648 ( 8.060 6.398 0.897) 10.330 7.874 ( -1.948 -1.143 1.181) 2.549 7.874 ( 1.948 -1.143 1.181) 2.549 8.541 ( -3.067 1.553 -0.420) 3.463 8.541 ( 3.067 1.553 -0.420) 3.463 8.725 ( -2.537 -3.816 -3.166) 5.570 8.725 ( 2.537 -3.816 -3.166) 5.570 8.822 ( -4.420 4.802 1.937) 6.808 8.822 ( 4.420 4.802 1.937) 6.808 9.073 ( -3.356 -7.528 -3.379) 8.908 9.073 ( 3.356 -7.528 -3.379) 8.908 9.395 ( -9.460 7.807 -4.969) 13.234 9.395 ( 9.460 7.807 -4.969) 13.234 9.596 ( -8.460 0.709 -6.568) 10.734 9.596 ( 8.460 0.709 -6.568) 10.734 10.182 ( -9.284 11.308 0.627) 14.644 10.182 ( 9.284 11.308 0.627) 14.644 10.379 ( -10.401 5.456 3.300) 12.200 10.379 ( 10.401 5.456 3.300) 12.200 10.590 ( -7.824 -11.361 -0.799) 13.818 10.590 ( 7.824 -11.361 -0.799) 13.818 10.931 ( -6.156 -1.659 -10.113) 11.955 10.931 ( 6.156 -1.659 -10.113) 11.955 11.300 ( -1.929 -11.893 -2.783) 12.366 11.300 ( 1.929 -11.893 -2.783) 12.366 11.568 ( -6.085 -18.384 0.316) 19.368 11.568 ( 6.085 -18.384 0.316) 19.368 12.163 ( -6.643 3.450 -1.271) 7.593 12.163 ( 6.643 3.450 -1.271) 7.593 12.371 ( -1.036 -9.096 -6.280) 11.102 12.371 ( 1.036 -9.096 -6.280) 11.102 13.485 ( -2.928 11.143 1.629) 11.636 13.485 ( 2.928 11.143 1.629) 11.636 13.644 ( -5.079 6.118 -6.016) 9.971 13.644 ( 5.079 6.118 -6.016) 9.971 14.261 ( -5.058 18.633 2.984) 19.536 14.261 ( 5.058 18.633 2.984) 19.536 14.517 ( -7.667 -4.184 0.428) 8.745 14.517 ( 7.667 -4.184 0.428) 8.745 14.735 ( -3.287 -6.792 9.029) 11.767 14.735 ( 3.287 -6.792 9.029) 11.767 15.041 ( -2.452 -9.304 10.903) 14.541 15.041 ( 2.452 -9.304 10.903) 14.541 15.295 ( -5.115 14.036 3.742) 15.401 15.295 ( 5.115 14.036 3.742) 15.401 15.991 ( -7.109 5.661 9.324) 13.020 15.991 ( 7.109 5.661 9.324) 13.020 16.136 ( -4.780 -15.369 -0.116) 16.096 16.136 ( 4.780 -15.369 -0.116) 16.096 16.462 ( -1.392 -5.611 2.149) 6.168 16.462 ( 1.392 -5.611 2.149) 6.168 16.688 ( -9.018 2.507 7.184) 11.799 16.688 ( 9.018 2.507 7.184) 11.799 16.836 ( -7.279 -0.880 -0.720) 7.367 16.836 ( 7.279 -0.880 -0.720) 7.367 17.453 ( -5.933 14.026 -1.517) 15.305 17.453 ( 5.933 14.026 -1.517) 15.305 17.817 ( -5.860 -4.412 -3.468) 8.114 17.817 ( 5.860 -4.412 -3.468) 8.114 18.799 ( -1.157 7.190 -5.169) 8.930 18.799 ( 1.157 7.190 -5.169) 8.930 19.029 ( -1.264 -0.440 -1.891) 2.317 19.029 ( 1.264 -0.440 -1.891) 2.317 19.500 ( -4.116 -2.662 -2.380) 5.449 19.500 ( 4.116 -2.662 -2.380) 5.449 19.651 ( -3.221 -6.854 -1.894) 7.806 19.651 ( 3.221 -6.854 -1.894) 7.806 21.290 ( -3.471 0.287 1.065) 3.642 21.290 ( 3.471 0.287 1.065) 3.642 21.335 ( -3.401 -2.049 0.296) 3.982 21.335 ( 3.401 -2.049 0.296) 3.982 23.599 ( -11.447 17.817 -28.986) 35.898 23.599 ( 11.447 17.817 -28.986) 35.898 24.302 ( -10.720 -16.537 -22.410) 29.843 24.302 ( 10.720 -16.537 -22.410) 29.843 25.097 ( -4.208 7.967 13.185) 15.969 25.097 ( 4.208 7.967 13.185) 15.969 25.324 ( -0.750 2.203 1.792) 2.937 25.324 ( 0.750 2.203 1.792) 2.937 25.450 ( -3.908 -1.648 3.967) 5.807 25.450 ( 3.908 -1.648 3.967) 5.807 25.605 ( -3.701 -7.171 9.501) 12.465 25.605 ( 3.701 -7.171 9.501) 12.465 ======================= Grid point 70 (29/96) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( 0.000 -19.909 11.900) 23.194 2.757 ( 0.000 19.909 11.900) 23.194 2.826 ( 0.000 -22.935 6.938) 23.962 2.826 ( 0.000 22.935 6.938) 23.961 4.193 ( 0.000 -35.014 15.801) 38.414 4.193 ( 0.000 35.014 15.801) 38.414 4.426 ( 0.000 -8.362 12.767) 15.261 4.426 ( 0.000 8.362 12.767) 15.261 5.095 ( 0.000 -2.584 8.812) 9.183 5.095 ( 0.000 2.584 8.812) 9.183 5.397 ( 0.000 -0.010 2.596) 2.596 5.397 ( 0.000 0.010 2.596) 2.596 5.700 ( 0.000 -10.828 1.178) 10.892 5.700 ( 0.000 10.828 1.178) 10.892 6.086 ( 0.000 -1.449 -8.445) 8.569 6.086 ( 0.000 1.449 -8.445) 8.569 6.158 ( 0.000 -14.207 -1.790) 14.319 6.158 ( 0.000 14.207 -1.790) 14.319 6.637 ( 0.000 -0.808 9.968) 10.001 6.637 ( 0.000 0.808 9.968) 10.001 7.094 ( 0.000 -1.674 -3.906) 4.250 7.094 ( 0.000 1.674 -3.906) 4.250 7.493 ( 0.000 -7.413 -3.694) 8.283 7.493 ( 0.000 7.413 -3.694) 8.283 7.669 ( 0.000 -0.367 4.004) 4.021 7.669 ( 0.000 0.367 4.004) 4.021 7.850 ( 0.000 -3.448 -8.656) 9.318 7.850 ( 0.000 3.448 -8.656) 9.318 8.264 ( 0.000 -0.705 -3.909) 3.972 8.264 ( 0.000 0.705 -3.909) 3.972 8.626 ( 0.000 -3.630 1.384) 3.885 8.626 ( 0.000 3.630 1.384) 3.885 8.994 ( 0.000 -10.758 -2.913) 11.145 8.994 ( 0.000 10.758 -2.913) 11.145 9.091 ( 0.000 -8.809 4.259) 9.785 9.091 ( 0.000 8.809 4.259) 9.785 9.330 ( 0.000 -20.798 -7.539) 22.122 9.330 ( 0.000 20.798 -7.539) 22.122 9.849 ( 0.000 -1.888 -1.655) 2.510 9.849 ( 0.000 1.888 -1.655) 2.510 10.036 ( 0.000 -6.402 3.106) 7.116 10.036 ( 0.000 6.402 3.106) 7.116 10.334 ( 0.000 -16.508 -10.158) 19.383 10.334 ( 0.000 16.508 -10.158) 19.383 10.836 ( 0.000 -1.208 3.329) 3.541 10.836 ( 0.000 1.208 3.329) 3.541 10.886 ( 0.000 -18.966 3.248) 19.242 10.886 ( 0.000 18.966 3.248) 19.242 11.385 ( 0.000 -3.689 -12.943) 13.458 11.385 ( 0.000 3.689 -12.943) 13.458 11.536 ( 0.000 -7.515 0.047) 7.515 11.536 ( 0.000 7.515 0.047) 7.515 11.597 ( 0.000 -8.067 -1.881) 8.284 11.597 ( 0.000 8.067 -1.881) 8.284 12.229 ( 0.000 -4.286 -3.787) 5.719 12.229 ( 0.000 4.286 -3.787) 5.719 13.585 ( 0.000 -7.162 4.288) 8.348 13.585 ( 0.000 7.162 4.288) 8.348 13.862 ( 0.000 -0.040 1.153) 1.154 13.862 ( 0.000 0.040 1.153) 1.154 14.180 ( 0.000 -6.035 -7.993) 10.015 14.180 ( 0.000 6.035 -7.993) 10.015 14.595 ( 0.000 -16.434 2.016) 16.557 14.595 ( 0.000 16.434 2.016) 16.557 14.862 ( 0.000 -11.935 5.864) 13.298 14.862 ( 0.000 11.935 5.864) 13.298 15.206 ( 0.000 -6.003 4.162) 7.304 15.206 ( 0.000 6.003 4.162) 7.304 15.443 ( 0.000 -4.206 4.620) 6.247 15.443 ( 0.000 4.206 4.620) 6.247 15.738 ( 0.000 -1.669 22.223) 22.286 15.738 ( 0.000 1.669 22.223) 22.286 16.155 ( 0.000 -18.305 0.896) 18.327 16.155 ( 0.000 18.305 0.896) 18.327 16.212 ( 0.000 -2.516 -1.346) 2.854 16.212 ( 0.000 2.516 -1.346) 2.854 16.472 ( 0.000 -0.995 5.899) 5.982 16.472 ( 0.000 0.995 5.899) 5.982 17.132 ( 0.000 -4.694 -1.916) 5.070 17.132 ( 0.000 4.694 -1.916) 5.070 17.405 ( 0.000 -0.121 2.588) 2.591 17.405 ( 0.000 0.121 2.588) 2.591 17.865 ( 0.000 -3.631 -0.882) 3.736 17.865 ( 0.000 3.631 -0.882) 3.736 18.796 ( 0.000 -0.252 -14.801) 14.803 18.796 ( 0.000 0.252 -14.801) 14.803 19.008 ( 0.000 -0.370 2.430) 2.458 19.008 ( 0.000 0.370 2.430) 2.458 19.312 ( 0.000 -2.664 -12.978) 13.249 19.312 ( 0.000 2.664 -12.978) 13.249 19.980 ( 0.000 -1.880 8.023) 8.241 19.980 ( 0.000 1.880 8.023) 8.241 21.038 ( 0.000 -0.779 -0.223) 0.810 21.038 ( 0.000 0.779 -0.223) 0.810 21.371 ( 0.000 -1.769 1.623) 2.401 21.371 ( 0.000 1.769 1.623) 2.401 23.520 ( 0.000 -13.308 -34.570) 37.043 23.520 ( 0.000 13.308 -34.570) 37.043 24.510 ( 0.000 -5.997 -12.659) 14.008 24.510 ( 0.000 5.997 -12.659) 14.008 24.949 ( 0.000 -4.993 11.757) 12.773 24.949 ( 0.000 4.993 11.757) 12.773 25.331 ( 0.000 -0.193 0.059) 0.202 25.331 ( 0.000 0.193 0.059) 0.202 25.482 ( 0.000 -2.402 0.991) 2.598 25.482 ( 0.000 2.402 0.991) 2.598 25.721 ( 0.000 -6.759 10.425) 12.424 25.721 ( 0.000 6.759 10.425) 12.424 ======================= Grid point 72 (30/96) ======================= q-point: ( 0.17 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( 10.702 -38.890 4.198) 40.553 2.910 ( 10.702 38.890 4.198) 40.553 2.966 ( 18.554 -34.178 13.772) 41.256 2.966 ( 18.554 34.178 13.772) 41.256 4.144 ( -4.429 -13.297 13.185) 19.243 4.144 ( -4.429 13.297 13.185) 19.243 4.528 ( 9.976 -13.938 11.348) 20.557 4.528 ( 9.976 13.938 11.348) 20.557 5.047 ( -7.198 -11.593 6.350) 15.051 5.047 ( -7.198 11.593 6.350) 15.051 5.291 ( -7.898 -9.549 8.853) 15.229 5.291 ( -7.898 9.549 8.853) 15.229 5.632 ( -5.449 -10.292 -1.239) 11.711 5.632 ( -5.449 10.292 -1.239) 11.711 6.054 ( -1.265 -5.945 -7.775) 9.869 6.054 ( -1.265 5.945 -7.775) 9.869 6.286 ( 7.673 -8.379 -0.874) 11.395 6.286 ( 7.673 8.379 -0.874) 11.395 6.516 ( -10.609 -4.747 5.878) 13.025 6.516 ( -10.609 4.747 5.878) 13.025 7.091 ( -0.999 -2.554 2.175) 3.500 7.091 ( -0.999 2.554 2.175) 3.500 7.537 ( 3.936 -9.371 -3.937) 10.900 7.537 ( 3.936 9.371 -3.937) 10.900 7.613 ( -4.368 -2.597 -0.029) 5.082 7.613 ( -4.368 2.597 -0.029) 5.082 7.873 ( 1.647 -2.368 -4.516) 5.359 7.873 ( 1.647 2.368 -4.516) 5.359 8.314 ( 5.062 -0.915 -5.090) 7.237 8.314 ( 5.062 0.915 -5.090) 7.237 8.647 ( 2.401 -4.072 1.696) 5.022 8.647 ( 2.401 4.072 1.696) 5.022 8.955 ( -3.718 -10.271 -2.510) 11.208 8.955 ( -3.718 10.271 -2.510) 11.208 9.094 ( -0.404 -7.789 4.036) 8.782 9.094 ( -0.404 7.789 4.036) 8.782 9.381 ( 4.424 -19.018 -7.989) 21.097 9.381 ( 4.424 19.018 -7.989) 21.097 9.785 ( -7.090 -9.684 -2.354) 12.231 9.785 ( -7.090 9.684 -2.354) 12.231 10.004 ( 1.267 -16.580 1.985) 16.746 10.004 ( 1.267 16.580 1.985) 16.746 10.416 ( 5.464 -9.047 -9.054) 13.917 10.416 ( 5.464 9.047 -9.054) 13.917 10.788 ( -5.193 -10.822 1.096) 12.054 10.788 ( -5.193 10.822 1.096) 12.054 10.913 ( 2.255 -14.425 4.194) 15.191 10.913 ( 2.255 14.425 4.194) 15.191 11.231 ( -9.602 -6.555 -8.902) 14.643 11.231 ( -9.602 6.555 -8.902) 14.643 11.471 ( -4.030 -9.614 1.449) 10.525 11.471 ( -4.030 9.614 1.449) 10.525 11.832 ( 15.534 -11.399 -6.198) 20.240 11.832 ( 15.534 11.399 -6.198) 20.240 12.243 ( 1.511 -5.175 -3.200) 6.269 12.243 ( 1.511 5.175 -3.200) 6.269 13.581 ( -0.024 -5.968 -1.271) 6.102 13.581 ( -0.024 5.968 -1.271) 6.102 13.850 ( -2.161 -1.719 0.126) 2.764 13.850 ( -2.161 1.719 0.126) 2.764 14.259 ( 7.679 -8.935 -2.203) 11.986 14.259 ( 7.679 8.935 -2.203) 11.986 14.543 ( -3.468 -13.421 3.081) 14.200 14.543 ( -3.468 13.421 3.081) 14.200 14.766 ( -8.349 -11.268 7.978) 16.134 14.766 ( -8.349 11.268 7.978) 16.134 15.166 ( -7.493 -10.521 6.821) 14.607 15.166 ( -7.493 10.521 6.821) 14.607 15.441 ( 4.318 -11.223 4.008) 12.676 15.441 ( 4.318 11.223 4.008) 12.676 15.796 ( 1.655 -11.850 8.859) 14.887 15.796 ( 1.655 11.850 8.859) 14.887 16.154 ( 2.280 -7.867 6.642) 10.545 16.154 ( 2.280 7.867 6.642) 10.545 16.279 ( 4.276 -2.081 5.319) 7.135 16.279 ( 4.276 2.081 5.319) 7.135 16.499 ( 3.323 -5.386 1.912) 6.611 16.499 ( 3.323 5.386 1.912) 6.611 17.073 ( -6.027 -4.889 -1.919) 7.994 17.073 ( -6.027 4.889 -1.919) 7.994 17.434 ( 3.573 -3.279 0.803) 4.916 17.434 ( 3.573 3.279 0.803) 4.916 17.857 ( -1.341 -5.168 -1.126) 5.457 17.857 ( -1.341 5.168 -1.126) 5.457 18.822 ( 2.720 -1.024 -12.666) 12.995 18.822 ( 2.720 1.024 -12.666) 12.995 19.004 ( -0.499 -0.214 1.141) 1.264 19.004 ( -0.499 0.214 1.141) 1.264 19.330 ( 2.034 -2.286 -10.717) 11.146 19.330 ( 2.034 2.286 -10.717) 11.146 19.894 ( -8.382 -0.852 6.778) 10.813 19.894 ( -8.382 0.852 6.778) 10.813 21.101 ( 5.874 -0.238 -0.088) 5.880 21.101 ( 5.874 0.238 -0.088) 5.880 21.367 ( -0.476 -1.605 1.506) 2.252 21.367 ( -0.476 1.605 1.506) 2.252 23.577 ( 6.019 -14.162 -33.560) 36.919 23.577 ( 6.019 14.162 -33.560) 36.919 24.414 ( -9.277 -10.904 -14.608) 20.454 24.414 ( -9.277 10.904 -14.608) 20.454 25.016 ( 6.123 -5.702 11.609) 14.310 25.016 ( 6.123 5.702 11.609) 14.310 25.334 ( 0.200 -0.198 0.872) 0.917 25.334 ( 0.200 0.198 0.872) 0.917 25.464 ( -1.742 -3.829 1.339) 4.415 25.464 ( -1.742 3.829 1.339) 4.415 25.680 ( -4.151 -5.941 10.711) 12.933 25.680 ( -4.151 5.941 10.711) 12.933 ======================= Grid point 74 (31/96) ======================= q-point: ( 0.33 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( 14.644 -24.850 6.309) 29.526 3.149 ( 14.644 24.850 6.309) 29.526 3.349 ( 16.541 -21.444 12.423) 29.796 3.349 ( 16.541 21.444 12.423) 29.796 4.086 ( 1.671 -7.375 7.452) 10.616 4.086 ( 1.671 7.375 7.452) 10.616 4.699 ( -5.925 -15.624 3.648) 17.103 4.699 ( -5.925 15.624 3.648) 17.103 4.833 ( -0.921 -17.599 8.622) 19.619 4.833 ( -0.921 17.599 8.622) 19.619 5.182 ( -5.962 -8.800 4.903) 11.706 5.182 ( -5.962 8.800 4.903) 11.706 5.594 ( 4.046 -16.296 4.194) 17.307 5.594 ( 4.046 16.296 4.194) 17.307 6.018 ( -4.736 -8.889 -1.049) 10.127 6.018 ( -4.736 8.889 -1.049) 10.127 6.275 ( -8.022 -4.250 2.535) 9.425 6.275 ( -8.022 4.250 2.535) 9.425 6.355 ( -5.764 -5.726 3.480) 8.839 6.355 ( -5.764 5.726 3.480) 8.839 7.124 ( 6.452 -3.132 -0.866) 7.224 7.124 ( 6.452 3.132 -0.866) 7.224 7.467 ( -8.189 -2.564 -4.132) 9.524 7.467 ( -8.189 2.564 -4.132) 9.524 7.671 ( 6.860 -8.949 0.008) 11.276 7.671 ( 6.860 8.949 0.008) 11.276 7.878 ( -1.884 -3.475 -0.829) 4.039 7.878 ( -1.884 3.475 -0.829) 4.039 8.441 ( 8.396 -3.984 -5.366) 10.731 8.441 ( 8.396 3.984 -5.366) 10.731 8.694 ( 0.555 -6.963 2.469) 7.409 8.694 ( 0.555 6.963 2.469) 7.409 8.886 ( -1.903 -9.777 -3.150) 10.447 8.886 ( -1.903 9.777 -3.150) 10.447 9.049 ( -4.567 -5.677 2.322) 7.647 9.049 ( -4.567 5.677 2.322) 7.647 9.465 ( 4.450 -12.871 -8.136) 15.864 9.465 ( 4.450 12.871 -8.136) 15.864 9.647 ( -6.494 -5.517 -2.313) 8.829 9.647 ( -6.494 5.517 -2.313) 8.829 10.118 ( 9.793 -13.435 0.187) 16.626 10.118 ( 9.793 13.435 0.187) 16.626 10.450 ( -3.205 -1.296 -5.783) 6.737 10.450 ( -3.205 1.296 -5.783) 6.737 10.714 ( -0.816 -11.186 -1.330) 11.295 10.714 ( -0.816 11.186 -1.330) 11.295 10.877 ( -6.397 -9.993 -1.487) 11.958 10.877 ( -6.397 9.993 -1.487) 11.958 11.161 ( 2.387 -5.226 -0.404) 5.759 11.161 ( 2.387 5.226 -0.404) 5.759 11.374 ( -6.302 -10.170 0.233) 11.967 11.374 ( -6.302 10.170 0.233) 11.967 12.092 ( 11.592 -7.170 -6.473) 15.090 12.092 ( 11.592 7.170 -6.473) 15.090 12.272 ( 0.905 -4.221 -4.101) 5.955 12.272 ( 0.905 4.221 -4.101) 5.955 13.598 ( 2.186 -0.253 -5.326) 5.763 13.598 ( 2.186 0.253 -5.326) 5.763 13.775 ( -5.483 -4.854 -2.100) 7.618 13.775 ( -5.483 4.854 -2.100) 7.618 14.388 ( 4.524 -8.121 0.543) 9.312 14.388 ( 4.524 8.121 0.543) 9.312 14.559 ( 4.022 -4.702 9.399) 11.253 14.559 ( 4.022 4.702 9.399) 11.253 14.613 ( -4.878 -14.505 7.367) 16.984 14.613 ( -4.878 14.505 7.367) 16.984 14.977 ( -11.370 -8.655 6.694) 15.780 14.977 ( -11.370 8.655 6.694) 15.780 15.561 ( 7.124 -10.829 2.937) 13.291 15.561 ( 7.124 10.829 2.937) 13.291 15.775 ( -2.927 -11.928 5.302) 13.377 15.775 ( -2.927 11.928 5.302) 13.377 16.214 ( 2.947 -11.509 5.499) 13.091 16.214 ( 2.947 11.509 5.499) 13.091 16.299 ( -1.887 -9.275 8.346) 12.619 16.299 ( -1.887 9.275 8.346) 12.619 16.618 ( 8.807 -7.576 1.109) 11.670 16.618 ( 8.807 7.576 1.109) 11.670 16.936 ( -8.123 -4.579 -0.980) 9.376 16.936 ( -8.123 4.579 -0.980) 9.376 17.539 ( 7.362 -7.217 -1.543) 10.424 17.539 ( 7.362 7.217 -1.543) 10.424 17.801 ( -4.795 -7.530 -1.934) 9.134 17.801 ( -4.795 7.530 -1.934) 9.134 18.887 ( 3.838 -2.152 -8.210) 9.315 18.887 ( 3.838 2.152 -8.210) 9.315 18.988 ( -1.344 -1.584 -1.550) 2.592 18.988 ( -1.344 1.584 -1.550) 2.592 19.395 ( 5.201 -1.174 -5.924) 7.970 19.395 ( 5.201 1.174 -5.924) 7.970 19.710 ( -10.614 -0.576 3.513) 11.195 19.710 ( -10.614 0.576 3.513) 11.195 21.216 ( 5.816 -1.025 0.238) 5.910 21.216 ( 5.816 1.025 0.238) 5.910 21.349 ( -1.557 -1.284 1.177) 2.336 21.349 ( -1.557 1.284 1.177) 2.336 23.734 ( 10.657 -15.728 -30.539) 35.966 23.734 ( 10.657 15.728 -30.539) 35.966 24.202 ( -12.886 -14.844 -19.916) 27.983 24.202 ( -12.886 14.844 -19.916) 27.983 25.142 ( 6.903 -5.257 11.339) 14.278 25.142 ( 6.903 5.257 11.339) 14.278 25.324 ( -1.957 -0.252 4.171) 4.614 25.324 ( -1.957 0.252 4.171) 4.614 25.442 ( 0.376 -5.263 2.310) 5.760 25.442 ( 0.376 5.263 2.310) 5.760 25.585 ( -5.633 -4.395 9.616) 11.980 25.585 ( -5.633 4.395 9.616) 11.980 ======================= Grid point 76 (32/96) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.396 ( -8.078 -10.956 9.781) 16.762 3.396 ( 3.675 -10.349 9.781) 14.706 3.396 ( -3.675 10.349 9.781) 14.706 3.396 ( 8.078 10.956 9.781) 16.762 4.328 ( -21.642 -8.966 5.603) 24.087 4.328 ( -15.059 4.470 5.603) 16.678 4.328 ( 15.059 -4.470 5.603) 16.678 4.328 ( 21.642 8.966 5.603) 24.087 5.025 ( -9.170 -15.757 0.245) 18.233 5.025 ( 5.416 -15.317 0.245) 16.248 5.025 ( -5.416 15.317 0.245) 16.248 5.025 ( 9.170 15.757 0.245) 18.233 5.799 ( -15.269 -17.183 9.498) 24.872 5.799 ( 12.788 -16.669 9.498) 23.057 5.799 ( -12.788 16.669 9.498) 23.057 5.799 ( 15.269 17.183 9.498) 24.872 6.245 ( -3.733 -11.837 1.744) 12.534 6.245 ( 3.184 -11.797 1.744) 12.343 6.245 ( -3.184 11.797 1.744) 12.343 6.245 ( 3.733 11.837 1.744) 12.534 7.295 ( -9.730 -3.611 -5.004) 11.522 7.295 ( -6.521 0.017 -5.004) 8.220 7.295 ( 6.521 -0.017 -5.004) 8.220 7.295 ( 9.730 3.611 -5.004) 11.522 7.797 ( -5.957 -6.601 1.178) 8.970 7.797 ( 4.207 -6.255 1.178) 7.630 7.797 ( -4.207 6.255 1.178) 7.630 7.797 ( 5.957 6.601 1.178) 8.970 8.605 ( -8.479 -5.225 -2.068) 10.172 8.605 ( 7.519 -4.844 -2.068) 9.180 8.605 ( -7.519 4.844 -2.068) 9.180 8.605 ( 8.479 5.225 -2.068) 10.172 8.941 ( -6.123 -5.585 -0.267) 8.292 8.941 ( 5.739 -5.482 -0.267) 7.941 8.941 ( -5.739 5.482 -0.267) 7.941 8.941 ( 6.123 5.585 -0.267) 8.292 9.548 ( -2.894 -5.971 -5.373) 8.538 9.548 ( -0.074 -5.793 -5.373) 7.901 9.548 ( 0.074 5.793 -5.373) 7.901 9.548 ( 2.894 5.971 -5.373) 8.538 10.314 ( -9.530 -5.912 -1.702) 11.343 10.314 ( -0.293 -3.503 -1.702) 3.905 10.314 ( 0.293 3.503 -1.702) 3.905 10.314 ( 9.530 5.912 -1.702) 11.343 10.760 ( -2.566 -17.111 -2.648) 17.504 10.760 ( 1.371 -17.076 -2.648) 17.335 10.760 ( -1.371 17.076 -2.648) 17.335 10.760 ( 2.566 17.111 -2.648) 17.504 11.252 ( -5.975 -9.842 0.751) 11.538 11.252 ( 5.016 -9.707 0.751) 10.952 11.252 ( -5.016 9.707 0.751) 10.952 11.252 ( 5.975 9.842 0.751) 11.538 12.243 ( -4.209 -4.690 -5.958) 8.672 12.243 ( 2.046 -4.315 -5.958) 7.635 12.243 ( -2.046 4.315 -5.958) 7.635 12.243 ( 4.209 4.690 -5.958) 8.672 13.669 ( -5.298 -4.998 -3.956) 8.289 13.669 ( 5.277 -4.993 -3.956) 8.272 13.669 ( -5.277 4.993 -3.956) 8.272 13.669 ( 5.298 4.998 -3.956) 8.289 14.468 ( -5.282 -1.122 4.009) 6.726 14.468 ( -4.934 0.609 4.009) 6.387 14.468 ( 4.934 -0.609 4.009) 6.387 14.468 ( 5.282 1.122 4.009) 6.726 14.764 ( -7.532 -12.985 8.250) 17.129 14.764 ( -0.384 -12.428 8.250) 14.922 14.764 ( 0.384 12.428 8.250) 14.922 14.764 ( 7.532 12.985 8.250) 17.129 15.689 ( -2.692 -21.966 5.133) 22.718 15.689 ( 1.074 -21.931 5.133) 22.550 15.689 ( -1.074 21.931 5.133) 22.550 15.689 ( 2.692 21.966 5.133) 22.718 16.256 ( -2.042 -12.617 4.818) 13.659 16.256 ( 2.014 -12.616 4.818) 13.654 16.256 ( -2.014 12.616 4.818) 13.654 16.256 ( 2.042 12.617 4.818) 13.659 16.782 ( -8.530 -4.582 1.196) 9.756 16.782 ( 6.976 -3.870 1.196) 8.067 16.782 ( -6.976 3.870 1.196) 8.067 16.782 ( 8.530 4.582 1.196) 9.756 17.683 ( -7.388 -9.324 -2.353) 12.127 17.683 ( 6.453 -9.149 -2.353) 11.441 17.683 ( -6.453 9.149 -2.353) 11.441 17.683 ( 7.388 9.324 -2.353) 12.127 18.950 ( -1.434 -7.051 -4.442) 8.456 18.950 ( 0.509 -7.019 -4.442) 8.322 18.950 ( -0.509 7.019 -4.442) 8.322 18.950 ( 1.434 7.051 -4.442) 8.456 19.526 ( -6.417 -3.895 -0.944) 7.566 19.526 ( -5.355 -3.471 -0.944) 6.451 19.526 ( 5.355 3.471 -0.944) 6.451 19.526 ( 6.417 3.895 -0.944) 7.566 21.303 ( -3.519 -1.135 0.709) 3.765 21.303 ( -3.511 1.128 0.709) 3.756 21.303 ( 3.511 -1.128 0.709) 3.756 21.303 ( 3.519 1.135 0.709) 3.765 23.957 ( -12.257 -18.314 -25.766) 33.905 23.957 ( 9.788 -17.939 -25.766) 32.886 23.957 ( -9.788 17.939 -25.766) 32.886 23.957 ( 12.257 18.314 -25.766) 33.905 25.256 ( -3.275 -7.280 8.730) 11.829 25.256 ( 0.357 -7.096 8.730) 11.256 25.256 ( -0.357 7.096 8.730) 11.256 25.256 ( 3.275 7.280 8.730) 11.829 25.489 ( -4.165 -4.624 5.659) 8.412 25.489 ( 3.489 -4.482 5.659) 8.018 25.489 ( -3.489 4.482 5.659) 8.018 25.489 ( 4.165 4.624 5.659) 8.412 ======================= Grid point 98 (33/96) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 0.000 0.000 46.260) 46.260 2.020 ( 0.000 0.000 46.477) 46.477 2.941 ( 0.000 0.000 63.013) 63.013 4.398 ( 0.000 0.000 7.951) 7.951 4.584 ( 0.000 0.000 24.754) 24.754 4.644 ( 0.000 0.000 5.989) 5.989 4.666 ( 0.000 0.000 -3.684) 3.684 4.994 ( 0.000 0.000 4.914) 4.914 5.035 ( 0.000 0.000 15.001) 15.001 5.095 ( 0.000 0.000 12.710) 12.710 5.180 ( 0.000 0.000 4.227) 4.227 5.359 ( 0.000 0.000 16.868) 16.868 5.629 ( 0.000 0.000 -6.862) 6.862 5.983 ( 0.000 0.000 -7.565) 7.565 6.049 ( 0.000 0.000 7.898) 7.898 6.077 ( 0.000 0.000 -9.977) 9.977 6.233 ( 0.000 0.000 -2.523) 2.523 6.498 ( 0.000 0.000 -5.019) 5.019 6.771 ( 0.000 0.000 4.699) 4.699 6.905 ( 0.000 0.000 -2.093) 2.093 7.142 ( 0.000 0.000 -9.068) 9.068 7.157 ( 0.000 0.000 6.277) 6.277 7.167 ( 0.000 0.000 -2.735) 2.735 7.295 ( 0.000 0.000 -9.648) 9.648 7.313 ( 0.000 0.000 -12.764) 12.764 7.389 ( 0.000 0.000 1.478) 1.478 7.567 ( 0.000 0.000 -12.058) 12.058 7.738 ( 0.000 0.000 1.566) 1.566 8.161 ( 0.000 0.000 -4.164) 4.164 8.243 ( 0.000 0.000 -6.920) 6.920 8.403 ( 0.000 0.000 2.991) 2.991 8.494 ( 0.000 0.000 0.854) 0.854 8.775 ( 0.000 0.000 -6.850) 6.850 8.799 ( 0.000 0.000 -5.834) 5.834 9.000 ( 0.000 0.000 16.604) 16.604 9.012 ( 0.000 0.000 -4.486) 4.486 9.178 ( 0.000 0.000 3.187) 3.187 9.380 ( 0.000 0.000 2.574) 2.574 9.525 ( 0.000 0.000 -17.960) 17.960 9.623 ( 0.000 0.000 0.745) 0.745 9.994 ( 0.000 0.000 -20.772) 20.772 10.025 ( 0.000 0.000 3.542) 3.542 10.172 ( 0.000 0.000 -14.477) 14.477 10.362 ( 0.000 0.000 9.252) 9.252 10.430 ( 0.000 0.000 -9.743) 9.743 10.814 ( 0.000 0.000 14.685) 14.685 10.890 ( 0.000 0.000 -14.748) 14.748 11.359 ( 0.000 0.000 0.122) 0.122 11.507 ( 0.000 0.000 -23.031) 23.031 11.721 ( 0.000 0.000 -17.506) 17.506 12.000 ( 0.000 0.000 3.279) 3.279 12.016 ( 0.000 0.000 7.320) 7.320 12.119 ( 0.000 0.000 -3.449) 3.449 12.224 ( 0.000 0.000 -7.116) 7.116 12.504 ( 0.000 0.000 4.065) 4.065 12.740 ( 0.000 0.000 1.284) 1.284 12.872 ( 0.000 0.000 -10.978) 10.978 13.255 ( 0.000 0.000 1.726) 1.726 13.259 ( 0.000 0.000 1.603) 1.603 13.831 ( 0.000 0.000 -8.182) 8.182 14.136 ( 0.000 0.000 7.433) 7.433 14.252 ( 0.000 0.000 -9.131) 9.131 14.262 ( 0.000 0.000 4.104) 4.104 14.481 ( 0.000 0.000 21.548) 21.548 14.492 ( 0.000 0.000 -3.022) 3.022 14.819 ( 0.000 0.000 8.265) 8.265 15.082 ( 0.000 0.000 10.516) 10.516 15.372 ( 0.000 0.000 13.495) 13.495 15.495 ( 0.000 0.000 11.666) 11.666 15.802 ( 0.000 0.000 18.885) 18.885 15.905 ( 0.000 0.000 0.230) 0.230 15.929 ( 0.000 0.000 -11.590) 11.590 16.438 ( 0.000 0.000 -1.001) 1.001 16.522 ( 0.000 0.000 6.017) 6.017 16.556 ( 0.000 0.000 10.227) 10.227 16.755 ( 0.000 0.000 4.299) 4.299 16.920 ( 0.000 0.000 2.058) 2.058 16.922 ( 0.000 0.000 11.353) 11.353 17.002 ( 0.000 0.000 -0.720) 0.720 17.190 ( 0.000 0.000 2.504) 2.504 17.271 ( 0.000 0.000 0.865) 0.865 17.273 ( 0.000 0.000 1.727) 1.727 17.484 ( 0.000 0.000 -2.209) 2.209 17.674 ( 0.000 0.000 10.058) 10.058 17.803 ( 0.000 0.000 0.871) 0.871 18.805 ( 0.000 0.000 -4.041) 4.041 18.813 ( 0.000 0.000 0.511) 0.511 18.875 ( 0.000 0.000 -19.484) 19.484 19.159 ( 0.000 0.000 -4.150) 4.150 19.202 ( 0.000 0.000 8.090) 8.090 20.160 ( 0.000 0.000 -12.802) 12.802 20.169 ( 0.000 0.000 -1.480) 1.480 21.022 ( 0.000 0.000 0.007) 0.007 21.066 ( 0.000 0.000 -1.227) 1.227 21.302 ( 0.000 0.000 -1.373) 1.373 21.467 ( 0.000 0.000 -1.160) 1.160 22.206 ( 0.000 0.000 -33.033) 33.033 22.984 ( 0.000 0.000 -30.717) 30.717 24.090 ( 0.000 0.000 -5.228) 5.228 24.628 ( 0.000 0.000 -7.669) 7.669 24.996 ( 0.000 0.000 -0.912) 0.912 25.098 ( 0.000 0.000 3.625) 3.625 25.197 ( 0.000 0.000 12.200) 12.200 25.279 ( 0.000 0.000 -3.374) 3.374 25.436 ( 0.000 0.000 2.873) 2.873 25.646 ( 0.000 0.000 5.305) 5.305 25.743 ( 0.000 0.000 3.015) 3.015 26.325 ( 0.000 0.000 -6.641) 6.641 ======================= Grid point 99 (34/96) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 8.864 0.000 42.496) 43.410 2.171 ( 15.618 0.000 41.869) 44.687 3.297 ( 31.589 0.000 51.621) 60.520 4.149 ( -23.411 0.000 8.820) 25.017 4.277 ( -23.782 0.000 11.802) 26.550 4.690 ( 3.512 0.000 6.983) 7.817 4.724 ( 3.131 0.000 14.318) 14.656 4.893 ( -5.869 0.000 9.404) 11.085 5.097 ( 3.705 0.000 21.269) 21.589 5.105 ( 6.394 0.000 4.882) 8.045 5.364 ( -0.373 0.000 15.157) 15.161 5.479 ( 16.024 0.000 -0.058) 16.024 5.564 ( -5.820 0.000 -6.948) 9.063 5.947 ( -2.553 0.000 -4.481) 5.157 6.079 ( 1.380 0.000 -9.975) 10.070 6.110 ( 4.382 0.000 2.311) 4.954 6.280 ( 6.711 0.000 -0.862) 6.766 6.482 ( -1.523 0.000 -4.564) 4.811 6.744 ( -5.898 0.000 5.350) 7.963 6.792 ( -13.174 0.000 4.504) 13.923 6.883 ( -8.143 0.000 -5.958) 10.090 6.928 ( -14.837 0.000 -4.512) 15.508 7.038 ( -8.975 0.000 -7.897) 11.954 7.487 ( 9.870 0.000 1.855) 10.043 7.488 ( 10.748 0.000 -2.019) 10.936 7.567 ( -2.068 0.000 -12.513) 12.683 7.665 ( 15.963 0.000 -2.700) 16.190 7.801 ( 9.016 0.000 -1.293) 9.109 8.159 ( -1.111 0.000 -2.072) 2.351 8.306 ( 6.953 0.000 -9.831) 12.041 8.439 ( 4.306 0.000 3.163) 5.343 8.534 ( -11.988 0.000 2.433) 12.233 8.679 ( 3.986 0.000 1.438) 4.238 8.803 ( 0.260 0.000 -5.955) 5.961 8.840 ( -0.209 0.000 -4.830) 4.834 8.978 ( -2.999 0.000 -0.659) 3.070 9.321 ( -6.238 0.000 -3.004) 6.924 9.397 ( 2.558 0.000 -11.186) 11.475 9.589 ( -1.950 0.000 2.992) 3.571 9.614 ( 15.631 0.000 4.211) 16.188 9.913 ( -11.156 0.000 -0.307) 11.161 9.937 ( -5.142 0.000 -11.697) 12.777 10.196 ( 0.825 0.000 -13.799) 13.824 10.365 ( -5.552 0.000 -9.491) 10.995 10.421 ( 3.788 0.000 0.290) 3.799 10.900 ( 1.103 0.000 -14.450) 14.492 10.958 ( 14.430 0.000 12.782) 19.277 11.283 ( -4.390 0.000 0.255) 4.397 11.358 ( -12.755 0.000 -24.380) 27.515 11.679 ( -10.297 0.000 -10.217) 14.506 11.741 ( -17.198 0.000 1.489) 17.263 11.932 ( 0.854 0.000 2.203) 2.363 12.139 ( -0.603 0.000 -2.414) 2.488 12.490 ( 13.817 0.000 -2.944) 14.127 12.654 ( 14.425 0.000 4.391) 15.078 12.819 ( -5.759 0.000 -4.154) 7.101 12.836 ( 7.162 0.000 0.952) 7.226 13.231 ( -0.262 0.000 -7.059) 7.063 13.317 ( 6.363 0.000 3.208) 7.127 13.676 ( -14.168 0.000 -9.763) 17.206 14.128 ( -10.622 0.000 3.329) 11.132 14.158 ( 2.854 0.000 5.862) 6.520 14.398 ( -9.229 0.000 15.126) 17.719 14.448 ( 15.488 0.000 4.466) 16.119 14.614 ( 11.061 0.000 2.579) 11.358 14.734 ( -5.326 0.000 10.318) 11.611 14.894 ( -12.453 0.000 9.581) 15.712 15.339 ( -4.351 0.000 9.892) 10.806 15.640 ( 12.611 0.000 14.997) 19.594 15.665 ( -3.845 0.000 5.098) 6.385 15.963 ( 4.099 0.000 -12.159) 12.832 16.216 ( 7.156 0.000 14.006) 15.728 16.400 ( 6.856 0.000 -6.009) 9.116 16.501 ( -2.583 0.000 5.727) 6.283 16.545 ( -12.155 0.000 9.699) 15.550 16.720 ( 9.204 0.000 7.043) 11.589 16.777 ( -8.981 0.000 9.434) 13.025 16.837 ( -6.301 0.000 1.772) 6.546 17.073 ( 3.661 0.000 0.295) 3.673 17.126 ( -9.695 0.000 3.857) 10.434 17.187 ( -8.268 0.000 5.078) 9.702 17.293 ( -1.306 0.000 9.761) 9.848 17.502 ( 4.290 0.000 -8.752) 9.747 17.807 ( 0.123 0.000 -2.198) 2.201 17.929 ( 21.681 0.000 -3.214) 21.918 18.780 ( -2.851 0.000 -4.464) 5.297 18.834 ( 2.355 0.000 -0.625) 2.436 18.988 ( 7.954 0.000 -8.585) 11.703 19.185 ( 5.093 0.000 -8.587) 9.984 19.217 ( 1.999 0.000 5.310) 5.674 20.023 ( -12.643 0.000 -10.368) 16.350 20.118 ( -5.553 0.000 -1.659) 5.795 21.121 ( 6.342 0.000 -1.043) 6.427 21.135 ( 8.697 0.000 -1.383) 8.806 21.311 ( 0.989 0.000 -1.473) 1.774 21.453 ( -1.395 0.000 -1.286) 1.897 22.223 ( 2.142 0.000 -33.169) 33.238 22.934 ( -6.161 0.000 -28.679) 29.333 24.054 ( -1.234 0.000 -9.501) 9.581 24.615 ( -3.149 0.000 -12.754) 13.137 25.013 ( 1.863 0.000 -1.122) 2.174 25.096 ( 1.308 0.000 8.875) 8.971 25.233 ( 2.541 0.000 10.576) 10.876 25.258 ( -2.156 0.000 -3.252) 3.902 25.458 ( 2.276 0.000 2.630) 3.478 25.636 ( -1.301 0.000 4.621) 4.800 25.764 ( 2.558 0.000 3.487) 4.324 26.261 ( -6.353 0.000 -2.718) 6.910 ======================= Grid point 100 (35/96) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 27.790 0.000 29.189) 40.302 2.562 ( 25.549 0.000 32.066) 41.000 3.571 ( -22.941 0.000 16.218) 28.095 3.640 ( -29.863 0.000 14.218) 33.075 4.137 ( 27.029 0.000 30.836) 41.006 4.752 ( 2.951 0.000 8.838) 9.318 4.783 ( 2.137 0.000 15.463) 15.610 4.832 ( -1.943 0.000 11.072) 11.242 5.147 ( -1.715 0.000 5.555) 5.813 5.215 ( 9.118 0.000 15.827) 18.266 5.251 ( -11.243 0.000 2.938) 11.620 5.563 ( 7.791 0.000 10.123) 12.774 5.603 ( -4.188 0.000 3.700) 5.588 5.947 ( 4.092 0.000 -8.735) 9.646 6.114 ( -2.728 0.000 -0.806) 2.844 6.134 ( -2.119 0.000 -3.988) 4.516 6.427 ( -11.957 0.000 4.946) 12.940 6.456 ( -3.898 0.000 0.042) 3.898 6.543 ( 20.623 0.000 2.728) 20.803 6.712 ( -3.095 0.000 -0.825) 3.203 6.733 ( -4.947 0.000 -2.659) 5.616 6.767 ( -5.446 0.000 -9.416) 10.877 6.868 ( -8.585 0.000 -5.129) 10.000 7.365 ( -16.844 0.000 -1.024) 16.875 7.690 ( 10.361 0.000 0.532) 10.375 7.722 ( 11.847 0.000 -5.149) 12.917 7.848 ( 9.633 0.000 1.948) 9.828 7.991 ( 1.820 0.000 -0.406) 1.864 8.086 ( -2.755 0.000 -2.054) 3.436 8.205 ( -16.369 0.000 3.434) 16.726 8.489 ( 9.469 0.000 -2.877) 9.897 8.590 ( 13.196 0.000 -5.061) 14.133 8.765 ( -5.484 0.000 -5.358) 7.667 8.869 ( 4.352 0.000 -11.067) 11.892 8.895 ( 7.854 0.000 -7.252) 10.690 9.000 ( 8.332 0.000 3.392) 8.996 9.155 ( -11.570 0.000 -11.123) 16.049 9.422 ( 5.946 0.000 -11.307) 12.774 9.587 ( -0.802 0.000 4.462) 4.534 9.643 ( -14.726 0.000 -4.025) 15.266 9.805 ( -8.589 0.000 -2.016) 8.823 9.895 ( 4.772 0.000 4.439) 6.517 10.114 ( -2.711 0.000 -3.782) 4.653 10.325 ( 0.010 0.000 -11.368) 11.368 10.527 ( 9.397 0.000 -10.374) 13.997 10.901 ( -2.843 0.000 -14.057) 14.341 11.144 ( -5.861 0.000 -21.013) 21.815 11.244 ( -0.262 0.000 -1.988) 2.005 11.260 ( 4.957 0.000 -5.134) 7.137 11.429 ( -12.945 0.000 -3.263) 13.350 11.500 ( 1.856 0.000 10.821) 10.979 12.006 ( 4.695 0.000 -1.978) 5.095 12.122 ( -1.246 0.000 0.628) 1.395 12.357 ( -22.636 0.000 8.619) 24.222 12.929 ( 13.464 0.000 -7.742) 15.532 12.941 ( 8.958 0.000 -2.076) 9.195 12.988 ( 16.655 0.000 8.367) 18.638 13.236 ( -1.508 0.000 -13.185) 13.271 13.384 ( -14.995 0.000 -5.611) 16.011 13.492 ( 12.587 0.000 4.673) 13.426 13.845 ( -20.768 0.000 11.741) 23.857 14.082 ( -15.306 0.000 14.213) 20.888 14.344 ( 8.893 0.000 1.007) 8.950 14.659 ( -3.990 0.000 9.937) 10.708 14.707 ( 12.305 0.000 1.691) 12.421 14.835 ( 11.593 0.000 7.886) 14.021 14.891 ( 9.898 0.000 2.491) 10.207 15.215 ( -8.746 0.000 7.936) 11.810 15.567 ( -5.140 0.000 5.508) 7.533 15.854 ( 9.813 0.000 12.727) 16.071 16.027 ( -19.884 0.000 11.221) 22.831 16.076 ( 5.243 0.000 -6.971) 8.722 16.439 ( -1.244 0.000 2.464) 2.760 16.440 ( 2.653 0.000 1.513) 3.054 16.592 ( -1.176 0.000 8.874) 8.952 16.736 ( 11.106 0.000 3.408) 11.617 16.763 ( -1.703 0.000 1.929) 2.573 16.878 ( -13.922 0.000 1.131) 13.968 16.914 ( 9.733 0.000 12.080) 15.514 17.007 ( -10.230 0.000 6.827) 12.299 17.089 ( -2.131 0.000 1.160) 2.426 17.219 ( -6.120 0.000 13.878) 15.167 17.619 ( 6.914 0.000 -8.881) 11.254 17.793 ( -1.926 0.000 -5.461) 5.790 18.303 ( 16.987 0.000 -9.301) 19.367 18.698 ( -6.079 0.000 -5.448) 8.162 18.894 ( 3.937 0.000 -0.765) 4.010 19.029 ( -1.901 0.000 -0.428) 1.948 19.299 ( 7.444 0.000 -1.316) 7.560 19.414 ( 16.683 0.000 -9.441) 19.170 19.758 ( -15.018 0.000 -9.017) 17.518 19.965 ( -10.919 0.000 -2.535) 11.210 21.242 ( 6.239 0.000 1.005) 6.320 21.285 ( 5.650 0.000 -1.297) 5.797 21.338 ( 1.804 0.000 -1.660) 2.452 21.419 ( -2.206 0.000 -1.550) 2.696 22.305 ( 7.233 0.000 -32.686) 33.477 22.748 ( -13.089 0.000 -26.698) 29.733 24.110 ( 7.267 0.000 -17.317) 18.780 24.490 ( -9.678 0.000 -17.791) 20.253 25.062 ( 3.326 0.000 -1.660) 3.717 25.153 ( 4.130 0.000 11.640) 12.351 25.204 ( -3.619 0.000 -2.889) 4.631 25.259 ( -0.144 0.000 11.043) 11.044 25.510 ( 3.036 0.000 2.444) 3.898 25.601 ( -2.192 0.000 3.394) 4.040 25.840 ( 5.469 0.000 4.504) 7.085 26.118 ( -8.496 0.000 2.776) 8.938 ======================= Grid point 101 (36/96) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.976 ( -34.824 0.000 18.463) 39.416 2.976 ( 34.824 0.000 18.463) 39.416 3.081 ( -29.853 0.000 22.236) 37.224 3.081 ( 29.853 0.000 22.236) 37.224 4.658 ( -20.152 0.000 16.395) 25.979 4.658 ( 20.152 0.000 16.395) 25.979 4.797 ( -2.016 0.000 10.812) 10.998 4.797 ( 2.016 0.000 10.812) 10.998 5.108 ( -1.397 0.000 5.354) 5.533 5.108 ( 1.397 0.000 5.354) 5.533 5.422 ( -12.302 0.000 9.126) 15.317 5.422 ( 12.302 0.000 9.126) 15.317 5.828 ( -19.722 0.000 19.840) 27.975 5.828 ( 19.722 0.000 19.840) 27.975 6.053 ( -5.857 0.000 -7.968) 9.889 6.053 ( 5.857 0.000 -7.968) 9.889 6.404 ( -3.732 0.000 -3.850) 5.362 6.404 ( 3.732 0.000 -3.850) 5.362 6.691 ( -1.821 0.000 -8.082) 8.284 6.691 ( 1.821 0.000 -8.082) 8.284 6.737 ( -4.359 0.000 -2.922) 5.248 6.737 ( 4.359 0.000 -2.922) 5.248 6.974 ( -23.598 0.000 2.081) 23.690 6.974 ( 23.598 0.000 2.081) 23.690 7.860 ( -8.884 0.000 3.021) 9.384 7.860 ( 8.884 0.000 3.021) 9.384 7.945 ( -12.487 0.000 -0.989) 12.526 7.945 ( 12.487 0.000 -0.989) 12.526 8.038 ( -7.605 0.000 -2.488) 8.002 8.038 ( 7.605 0.000 -2.488) 8.002 8.632 ( -7.450 0.000 0.577) 7.472 8.632 ( 7.450 0.000 0.577) 7.472 8.887 ( -16.310 0.000 -11.432) 19.917 8.887 ( 16.310 0.000 -11.432) 19.917 8.933 ( -2.498 0.000 -11.660) 11.924 8.933 ( 2.498 0.000 -11.660) 11.924 9.277 ( -18.907 0.000 -0.474) 18.913 9.277 ( 18.907 0.000 -0.474) 18.913 9.668 ( -17.832 0.000 -6.454) 18.964 9.668 ( 17.832 0.000 -6.454) 18.964 9.671 ( -5.410 0.000 0.334) 5.421 9.671 ( 5.410 0.000 0.334) 5.421 10.261 ( -8.142 0.000 -2.215) 8.438 10.261 ( 8.142 0.000 -2.215) 8.438 10.750 ( -12.509 0.000 -13.566) 18.453 10.750 ( 12.509 0.000 -13.566) 18.453 11.135 ( -5.973 0.000 -16.184) 17.251 11.135 ( 5.973 0.000 -16.184) 17.251 11.273 ( -3.995 0.000 -2.903) 4.938 11.273 ( 3.995 0.000 -2.903) 4.938 11.881 ( -26.753 0.000 12.712) 29.619 11.881 ( 26.753 0.000 12.712) 29.619 12.081 ( -3.269 0.000 -0.521) 3.311 12.081 ( 3.269 0.000 -0.521) 3.311 13.097 ( -9.521 0.000 1.005) 9.574 13.097 ( 9.521 0.000 1.005) 9.574 13.141 ( -8.631 0.000 -11.145) 14.096 13.141 ( 8.631 0.000 -11.145) 14.096 13.425 ( -22.118 0.000 6.823) 23.147 13.425 ( 22.118 0.000 6.823) 23.147 13.770 ( -16.798 0.000 8.343) 18.756 13.770 ( 16.798 0.000 8.343) 18.756 14.538 ( -9.476 0.000 6.079) 11.258 14.538 ( 9.476 0.000 6.079) 11.258 14.928 ( -8.658 0.000 0.009) 8.658 14.928 ( 8.658 0.000 0.009) 8.658 15.035 ( -10.238 0.000 8.359) 13.217 15.035 ( 10.238 0.000 8.359) 13.217 15.658 ( -16.345 0.000 9.091) 18.703 15.658 ( 16.345 0.000 9.091) 18.703 16.025 ( -8.451 0.000 5.555) 10.113 16.025 ( 8.451 0.000 5.555) 10.113 16.520 ( -4.715 0.000 5.238) 7.048 16.520 ( 4.715 0.000 5.238) 7.048 16.576 ( -13.633 0.000 -4.437) 14.336 16.576 ( 13.633 0.000 -4.437) 14.336 16.847 ( -6.220 0.000 7.232) 9.539 16.847 ( 6.220 0.000 7.232) 9.539 16.955 ( -9.296 0.000 5.567) 10.836 16.955 ( 9.296 0.000 5.567) 10.836 17.094 ( -6.761 0.000 11.756) 13.562 17.094 ( 6.761 0.000 11.756) 13.562 17.730 ( -4.825 0.000 -7.442) 8.869 17.730 ( 4.825 0.000 -7.442) 8.869 18.550 ( -10.176 0.000 -7.401) 12.583 18.550 ( 10.176 0.000 -7.401) 12.583 18.970 ( -3.974 0.000 -0.588) 4.017 18.970 ( 3.974 0.000 -0.588) 4.017 19.493 ( -13.014 0.000 -7.078) 14.814 19.493 ( 13.014 0.000 -7.078) 14.814 19.719 ( -15.372 0.000 -4.908) 16.136 19.719 ( 15.372 0.000 -4.908) 16.136 21.321 ( -1.623 0.000 0.730) 1.779 21.321 ( 1.623 0.000 0.730) 1.779 21.376 ( -2.281 0.000 -1.717) 2.855 21.376 ( 2.281 0.000 -1.717) 2.855 22.496 ( -12.940 0.000 -29.538) 32.248 22.496 ( 12.940 0.000 -29.538) 32.248 24.290 ( -11.137 0.000 -19.683) 22.615 24.290 ( 11.137 0.000 -19.683) 22.615 25.131 ( -4.005 0.000 -2.318) 4.628 25.131 ( 4.005 0.000 -2.318) 4.628 25.226 ( -3.234 0.000 11.751) 12.187 25.226 ( 3.234 0.000 11.751) 12.187 25.560 ( -2.313 0.000 2.618) 3.494 25.560 ( 2.313 0.000 2.618) 3.494 25.964 ( -7.791 0.000 4.905) 9.207 25.964 ( 7.791 0.000 4.905) 9.207 ======================= Grid point 105 (37/96) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 0.000 10.415 44.122) 45.335 2.165 ( 0.000 17.462 41.945) 45.434 3.280 ( 0.000 30.785 50.971) 59.546 4.161 ( 0.000 -20.822 4.792) 21.366 4.326 ( 0.000 -23.533 11.332) 26.119 4.620 ( 0.000 2.396 22.787) 22.913 4.783 ( 0.000 7.698 2.819) 8.198 4.995 ( 0.000 -3.733 14.986) 15.443 5.088 ( 0.000 -0.004 11.223) 11.223 5.205 ( 0.000 13.364 3.501) 13.815 5.299 ( 0.000 7.361 7.110) 10.234 5.347 ( 0.000 2.732 12.515) 12.809 5.648 ( 0.000 -0.454 -6.099) 6.116 5.779 ( 0.000 -12.370 -7.103) 14.264 5.943 ( 0.000 -5.627 -1.790) 5.905 6.137 ( 0.000 0.312 3.150) 3.165 6.237 ( 0.000 0.091 -0.797) 0.802 6.718 ( 0.000 12.757 -5.695) 13.971 6.727 ( 0.000 -1.451 1.086) 1.812 6.825 ( 0.000 -5.372 -3.324) 6.317 6.996 ( 0.000 -14.693 7.430) 16.465 7.151 ( 0.000 -7.254 -5.922) 9.364 7.218 ( 0.000 0.660 -0.214) 0.694 7.233 ( 0.000 7.373 -12.305) 14.345 7.336 ( 0.000 10.044 -1.005) 10.094 7.400 ( 0.000 2.823 -13.084) 13.386 7.754 ( 0.000 1.585 3.580) 3.915 7.860 ( 0.000 8.555 -8.436) 12.015 8.091 ( 0.000 3.658 -6.004) 7.030 8.231 ( 0.000 -1.822 -5.424) 5.722 8.412 ( 0.000 2.352 0.011) 2.352 8.418 ( 0.000 -5.749 -9.022) 10.698 8.810 ( 0.000 -0.688 5.958) 5.998 8.937 ( 0.000 13.464 -6.099) 14.780 8.969 ( 0.000 -1.288 1.977) 2.359 9.173 ( 0.000 9.115 11.703) 14.834 9.246 ( 0.000 5.383 -2.314) 5.859 9.415 ( 0.000 -6.777 -3.186) 7.489 9.419 ( 0.000 5.764 1.670) 6.001 9.719 ( 0.000 5.380 -11.302) 12.517 9.842 ( 0.000 -11.742 -14.293) 18.498 10.012 ( 0.000 0.358 -3.481) 3.499 10.196 ( 0.000 3.538 -10.403) 10.988 10.253 ( 0.000 -5.912 8.083) 10.014 10.576 ( 0.000 9.532 -10.610) 14.263 10.764 ( 0.000 -6.632 -12.148) 13.841 10.968 ( 0.000 8.041 8.378) 11.612 11.201 ( 0.000 -7.941 -3.256) 8.582 11.623 ( 0.000 -12.849 -6.462) 14.382 11.695 ( 0.000 4.861 -17.412) 18.078 11.852 ( 0.000 -8.598 -3.443) 9.262 11.874 ( 0.000 -16.924 -5.550) 17.811 11.948 ( 0.000 -14.444 0.237) 14.446 12.170 ( 0.000 -21.294 -0.169) 21.294 12.170 ( 0.000 -10.781 -4.757) 11.783 12.213 ( 0.000 -20.002 4.287) 20.456 13.263 ( 0.000 18.500 -12.714) 22.447 13.415 ( 0.000 12.647 0.843) 12.675 13.628 ( 0.000 22.927 1.606) 22.983 13.824 ( 0.000 2.743 -0.080) 2.745 13.933 ( 0.000 -14.994 4.543) 15.668 14.060 ( 0.000 -8.695 8.947) 12.476 14.426 ( 0.000 14.989 8.359) 17.162 14.630 ( 0.000 12.145 -3.031) 12.517 14.693 ( 0.000 11.857 9.632) 15.276 14.949 ( 0.000 -6.292 10.764) 12.468 15.052 ( 0.000 19.485 6.125) 20.424 15.362 ( 0.000 -9.485 2.675) 9.855 15.512 ( 0.000 -13.905 10.784) 17.597 15.613 ( 0.000 12.172 14.594) 19.004 15.784 ( 0.000 -6.445 7.458) 9.857 16.255 ( 0.000 14.643 -3.004) 14.948 16.375 ( 0.000 -5.665 15.906) 16.885 16.407 ( 0.000 -3.793 -2.251) 4.411 16.561 ( 0.000 -18.334 11.541) 21.664 16.631 ( 0.000 -9.022 -1.056) 9.083 16.695 ( 0.000 -0.900 7.865) 7.916 16.938 ( 0.000 -1.537 2.407) 2.856 17.016 ( 0.000 -5.868 7.656) 9.646 17.169 ( 0.000 -0.143 -1.537) 1.544 17.304 ( 0.000 4.991 3.825) 6.289 17.434 ( 0.000 12.164 0.121) 12.164 17.494 ( 0.000 -0.827 7.356) 7.402 17.817 ( 0.000 2.214 -0.291) 2.233 17.919 ( 0.000 18.101 -14.869) 23.425 18.658 ( 0.000 -9.049 -14.156) 16.801 18.865 ( 0.000 4.911 0.389) 4.926 18.993 ( 0.000 6.193 -8.596) 10.595 19.164 ( 0.000 0.362 -3.113) 3.134 19.187 ( 0.000 -1.455 6.088) 6.259 20.128 ( 0.000 -2.988 -10.816) 11.221 20.135 ( 0.000 -3.247 -1.448) 3.555 21.022 ( 0.000 0.032 -0.072) 0.079 21.059 ( 0.000 -0.667 -1.123) 1.306 21.318 ( 0.000 1.485 -1.401) 2.042 21.458 ( 0.000 -0.873 -0.506) 1.009 22.294 ( 0.000 8.694 -33.060) 34.184 23.053 ( 0.000 4.903 -32.493) 32.861 23.966 ( 0.000 -8.406 -7.206) 11.071 24.563 ( 0.000 -6.556 -10.709) 12.557 25.112 ( 0.000 1.542 4.942) 5.177 25.123 ( 0.000 9.761 -0.530) 9.776 25.209 ( 0.000 1.164 11.018) 11.079 25.299 ( 0.000 1.673 -2.258) 2.811 25.434 ( 0.000 -0.034 2.515) 2.516 25.650 ( 0.000 0.004 5.409) 5.409 25.726 ( 0.000 -1.046 3.029) 3.204 26.234 ( 0.000 -8.384 -3.149) 8.956 ======================= Grid point 106 (38/96) ======================= q-point: ( 0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 10.048 12.661 38.338) 41.606 2.413 ( 18.290 19.626 37.314) 45.957 3.518 ( 21.815 21.600 42.923) 52.772 4.072 ( -8.065 -9.947 9.778) 16.111 4.347 ( -25.261 6.248 13.948) 29.524 4.408 ( 7.708 -22.793 8.788) 25.616 4.734 ( -3.893 2.255 12.251) 13.051 4.946 ( -2.424 3.726 8.368) 9.475 5.004 ( -2.953 -4.537 18.681) 19.449 5.261 ( 3.277 8.086 11.349) 14.315 5.360 ( 1.895 -0.243 10.612) 10.782 5.534 ( 4.206 1.104 -3.807) 5.780 5.606 ( 3.704 5.352 -1.869) 6.772 5.794 ( 1.452 -13.008 -5.331) 14.133 5.942 ( 0.940 -4.182 -1.938) 4.704 6.152 ( 2.820 -1.992 2.444) 4.230 6.229 ( -0.244 -0.911 -1.726) 1.967 6.630 ( -9.369 -8.140 2.096) 12.587 6.738 ( 1.530 11.162 -3.444) 11.781 6.758 ( -7.670 -1.829 -1.871) 8.104 6.837 ( -11.390 -0.838 -0.323) 11.426 7.042 ( -11.147 8.055 -4.080) 14.345 7.080 ( -3.706 1.542 -3.673) 5.441 7.243 ( 3.995 -3.760 -5.318) 7.641 7.524 ( 8.044 3.073 -1.047) 8.674 7.630 ( 12.772 -2.785 -5.746) 14.279 7.774 ( 2.224 -0.258 0.418) 2.278 7.873 ( 3.196 4.538 -4.281) 7.009 8.119 ( 3.467 7.778 -4.428) 9.598 8.302 ( 7.205 -1.303 -9.129) 11.703 8.405 ( 2.056 -1.596 -0.233) 2.613 8.530 ( 4.198 -1.979 -7.469) 8.794 8.767 ( 1.055 2.978 3.310) 4.575 8.922 ( -0.654 9.192 -4.812) 10.396 8.957 ( -5.464 14.335 5.065) 16.156 9.007 ( -2.868 2.134 0.541) 3.616 9.287 ( -5.924 -3.180 -6.932) 9.657 9.323 ( -5.597 -4.946 -5.238) 9.123 9.568 ( 7.522 -0.094 3.391) 8.252 9.734 ( 3.168 5.433 -1.914) 6.575 9.827 ( -0.345 -6.976 -5.636) 8.975 9.966 ( -4.101 6.428 -3.535) 8.404 10.148 ( -0.362 -3.745 -10.980) 11.606 10.370 ( 6.259 0.748 -3.204) 7.071 10.504 ( -6.032 7.862 -8.694) 13.183 10.818 ( 4.100 -7.260 -13.047) 15.483 10.892 ( -3.614 -4.642 2.940) 6.577 11.345 ( 9.046 6.878 -3.418) 11.867 11.484 ( -13.211 2.371 -5.860) 14.646 11.545 ( -13.666 -11.250 -6.967) 19.023 11.599 ( -17.518 -18.245 -2.505) 25.418 11.796 ( 3.054 -10.229 -5.325) 11.930 12.001 ( -1.348 -10.159 1.688) 10.386 12.177 ( 6.799 -20.914 -8.879) 23.717 12.371 ( 13.656 -13.125 -5.922) 19.845 12.478 ( 13.901 -20.904 7.969) 26.339 13.288 ( 1.188 15.715 -11.424) 19.465 13.429 ( -0.756 7.760 0.851) 7.843 13.515 ( -6.491 18.347 1.079) 19.491 13.691 ( -7.936 9.659 1.719) 12.618 13.979 ( -6.965 -6.202 11.337) 14.680 14.111 ( 12.164 -5.328 4.573) 14.045 14.459 ( 2.897 11.311 -0.513) 11.687 14.668 ( -1.797 10.417 14.609) 18.033 14.752 ( 4.947 7.978 0.525) 9.402 14.852 ( -3.502 3.329 8.276) 9.583 14.918 ( -7.982 15.468 9.261) 19.717 15.347 ( -4.641 -5.711 12.645) 14.630 15.531 ( 6.969 -9.636 0.649) 11.909 15.711 ( 2.168 0.097 10.882) 11.097 15.878 ( 7.752 0.986 -1.377) 7.935 16.168 ( -11.121 -6.476 10.978) 16.915 16.293 ( 1.997 -0.854 3.955) 4.512 16.427 ( -0.353 -0.675 6.050) 6.098 16.642 ( 8.431 -5.127 14.568) 17.595 16.664 ( -0.616 -9.782 3.465) 10.396 16.745 ( 4.445 -2.236 1.488) 5.193 16.878 ( -9.941 0.499 1.233) 10.029 16.910 ( -4.569 -5.289 3.373) 7.760 17.178 ( -1.288 -2.310 4.394) 5.129 17.249 ( -4.307 7.877 1.089) 9.043 17.365 ( -5.684 8.008 7.147) 12.146 17.534 ( 3.550 2.254 -3.419) 5.420 17.828 ( 0.048 1.895 -1.941) 2.713 18.071 ( 14.664 12.174 -14.647) 24.037 18.702 ( 2.061 -6.146 -8.399) 10.610 18.876 ( 1.602 3.790 -1.642) 4.430 19.042 ( 3.059 3.536 -2.933) 5.519 19.160 ( 3.612 -1.707 -6.543) 7.666 19.228 ( 3.311 0.674 2.131) 3.994 20.000 ( -12.042 -2.261 -9.057) 15.236 20.078 ( -6.072 -3.833 -1.579) 7.352 21.112 ( 6.244 -0.746 -1.110) 6.386 21.124 ( 7.800 -0.974 -0.786) 7.900 21.325 ( 0.615 1.195 -1.406) 1.945 21.447 ( -1.253 -0.740 -0.560) 1.559 22.322 ( 3.266 9.695 -33.066) 34.612 23.033 ( -3.491 8.255 -30.928) 32.201 23.915 ( -2.795 -10.817 -10.468) 15.310 24.523 ( -5.154 -8.678 -14.334) 17.530 25.107 ( 0.480 4.091 4.535) 6.126 25.145 ( 2.349 7.654 3.045) 8.566 25.242 ( 1.746 1.032 8.225) 8.471 25.296 ( 0.140 2.944 -0.257) 2.959 25.451 ( 1.799 -0.648 2.361) 3.038 25.641 ( -1.530 0.494 4.857) 5.116 25.738 ( 1.854 -2.361 3.579) 4.671 26.180 ( -5.385 -7.487 -0.323) 9.228 ======================= Grid point 107 (39/96) ======================= q-point: ( 0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 28.020 12.560 26.042) 40.262 2.796 ( 22.702 20.252 29.089) 42.091 3.614 ( -18.569 6.247 14.403) 24.317 3.795 ( -31.284 11.683 14.013) 36.216 4.217 ( 26.926 7.461 28.556) 39.952 4.575 ( 9.067 -17.235 5.738) 20.302 4.735 ( 3.154 -2.693 15.673) 16.212 4.872 ( -4.077 1.497 11.789) 12.564 4.970 ( -3.118 -8.601 8.757) 12.664 5.211 ( -10.598 -1.183 8.362) 13.551 5.380 ( 2.862 4.537 3.735) 6.536 5.533 ( 5.287 -1.902 13.632) 14.745 5.657 ( -4.268 3.118 2.571) 5.878 5.855 ( 5.000 -10.235 -2.750) 11.718 6.014 ( 4.297 -2.591 -4.293) 6.604 6.185 ( -10.729 0.863 -1.536) 10.873 6.272 ( 8.488 -6.203 4.910) 11.603 6.390 ( -7.823 -3.753 5.974) 10.535 6.607 ( -5.694 -5.115 0.777) 7.693 6.667 ( -6.633 -5.993 -4.559) 10.035 6.857 ( 7.009 14.727 -2.873) 16.561 6.887 ( -4.477 10.776 -4.258) 12.422 6.958 ( -6.757 8.493 -5.693) 12.255 7.309 ( -3.325 -5.541 -4.316) 7.771 7.558 ( 2.153 0.683 3.632) 4.277 7.734 ( -0.081 -6.968 -4.884) 8.510 7.824 ( 3.737 -0.423 1.168) 3.938 7.968 ( 0.343 -2.964 1.989) 3.586 8.234 ( 9.734 19.824 -3.301) 22.330 8.424 ( -1.229 6.388 -0.636) 6.536 8.475 ( 9.306 -1.941 -5.872) 11.173 8.582 ( 8.183 -3.375 -7.805) 11.802 8.820 ( -8.170 11.256 2.528) 14.137 8.911 ( 5.527 0.569 -8.044) 9.776 8.936 ( 3.293 5.240 -8.086) 10.182 8.993 ( 0.741 0.527 3.044) 3.177 9.151 ( -7.651 -0.350 -10.673) 13.137 9.309 ( 6.906 -6.909 -5.951) 11.439 9.477 ( -12.784 -9.270 -3.827) 16.248 9.711 ( -3.825 1.070 -2.118) 4.501 9.853 ( -3.305 10.560 0.150) 11.066 10.046 ( 1.334 10.887 1.677) 11.096 10.108 ( 5.758 -1.371 -5.263) 7.920 10.388 ( 0.088 6.764 -8.205) 10.634 10.532 ( 7.202 -0.109 -9.037) 11.556 10.846 ( -2.002 -5.826 -12.453) 13.894 10.909 ( 3.875 -15.783 -3.114) 16.547 11.136 ( -13.766 -9.157 -7.545) 18.174 11.262 ( -14.521 -10.963 -9.930) 20.728 11.329 ( -11.343 -4.595 -12.114) 17.220 11.628 ( 12.115 7.838 8.649) 16.823 11.880 ( 2.042 -9.828 3.510) 10.634 11.984 ( 3.028 -6.055 -1.290) 6.891 12.258 ( -0.275 -12.441 -5.837) 13.745 12.562 ( 6.928 -20.400 -5.931) 22.345 12.664 ( 5.853 -24.017 5.382) 25.299 13.264 ( -1.388 8.639 -5.522) 10.346 13.365 ( -1.340 11.737 1.953) 11.974 13.455 ( -3.104 13.783 -0.088) 14.129 13.654 ( -1.816 5.326 0.733) 5.675 13.834 ( -3.781 9.288 13.280) 16.641 14.208 ( -7.206 7.408 7.507) 12.773 14.542 ( 8.118 13.599 -1.364) 15.897 14.593 ( 1.479 -2.000 6.650) 7.100 14.810 ( 4.681 -3.382 3.705) 6.861 14.870 ( 1.357 14.148 7.400) 16.024 14.975 ( 8.872 7.969 9.580) 15.297 15.254 ( -5.813 1.700 9.087) 10.920 15.539 ( -4.654 -5.503 4.517) 8.505 15.710 ( -6.380 -10.669 9.902) 15.893 15.916 ( 0.230 -6.967 -0.361) 6.980 16.097 ( 4.179 2.195 3.095) 5.645 16.390 ( 7.759 -1.608 6.604) 10.315 16.419 ( -3.094 1.562 8.354) 9.045 16.611 ( -4.777 -1.869 6.500) 8.280 16.660 ( -9.661 -13.177 0.654) 16.352 16.748 ( 2.798 -2.547 3.546) 5.186 16.839 ( 8.166 -1.664 11.216) 13.973 16.929 ( 2.862 0.390 3.978) 4.916 17.069 ( -6.478 1.794 5.813) 8.887 17.196 ( -3.027 8.887 -0.455) 9.399 17.244 ( -7.319 8.206 8.176) 13.703 17.632 ( 6.313 0.543 -7.109) 9.523 17.808 ( -2.323 1.193 -4.841) 5.500 18.354 ( 14.090 5.321 -11.754) 19.105 18.681 ( -3.965 -0.917 -5.779) 7.068 18.923 ( 3.083 2.043 -2.282) 4.346 19.034 ( -2.268 -0.088 -0.666) 2.365 19.302 ( 7.203 0.274 -1.569) 7.377 19.372 ( 14.005 -3.408 -7.634) 16.310 19.748 ( -13.780 -1.111 -7.840) 15.893 19.918 ( -11.019 -4.549 -2.281) 12.138 21.229 ( 6.038 -1.032 0.431) 6.141 21.270 ( 6.439 -1.422 -1.183) 6.699 21.336 ( 0.369 0.038 -1.150) 1.208 21.414 ( -2.256 -0.597 -0.722) 2.443 22.428 ( 8.521 11.900 -32.173) 35.345 22.885 ( -12.117 12.963 -27.773) 32.958 23.951 ( 7.109 -14.345 -18.117) 24.177 24.366 ( -11.132 -11.580 -18.684) 24.640 25.135 ( 2.333 5.246 2.312) 6.190 25.205 ( 3.369 5.311 5.823) 8.571 25.235 ( -1.358 3.036 2.746) 4.313 25.309 ( 0.167 4.658 7.099) 8.493 25.496 ( 2.830 -1.527 2.255) 3.927 25.596 ( -2.819 -0.197 3.642) 4.610 25.801 ( 4.837 -3.796 4.931) 7.882 26.055 ( -7.670 -5.991 3.901) 10.485 ======================= Grid point 108 (40/96) ======================= q-point: (-0.50 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.055 ( -26.422 9.634 18.343) 33.577 3.055 ( 26.422 9.634 18.343) 33.577 3.286 ( -18.800 17.487 19.612) 32.309 3.286 ( 18.800 17.487 19.612) 32.309 4.672 ( -13.721 -1.879 12.348) 18.555 4.672 ( 13.721 -1.879 12.348) 18.555 4.734 ( -9.234 -3.714 11.458) 15.177 4.734 ( 9.234 -3.714 11.458) 15.177 5.007 ( -9.457 -8.151 7.076) 14.351 5.007 ( 9.457 -8.151 7.076) 14.351 5.485 ( -7.769 2.660 6.974) 10.774 5.485 ( 7.769 2.660 6.974) 10.774 5.797 ( -17.368 -1.919 15.340) 23.251 5.797 ( 17.368 -1.919 15.340) 23.251 6.001 ( -3.697 -3.573 -1.029) 5.244 6.001 ( 3.697 -3.573 -1.029) 5.244 6.384 ( -1.419 -1.348 0.835) 2.128 6.384 ( 1.419 -1.348 0.835) 2.128 6.565 ( -2.360 -8.843 -4.873) 10.369 6.565 ( 2.360 -8.843 -4.873) 10.369 6.852 ( -2.014 9.577 -4.295) 10.688 6.852 ( 2.014 9.577 -4.295) 10.688 7.097 ( -14.722 8.666 -2.588) 17.278 7.097 ( 14.722 8.666 -2.588) 17.278 7.670 ( -6.590 -8.327 -0.486) 10.631 7.670 ( 6.591 -8.327 -0.486) 10.631 7.904 ( -4.836 0.640 2.432) 5.450 7.904 ( 4.836 0.640 2.432) 5.450 8.380 ( -4.742 15.805 -2.986) 16.770 8.380 ( 4.742 15.805 -2.986) 16.770 8.636 ( -8.730 2.129 -0.469) 8.998 8.636 ( 8.730 2.129 -0.469) 8.998 8.811 ( -10.910 -4.699 -8.150) 14.406 8.811 ( 10.910 -4.699 -8.150) 14.406 9.011 ( -5.852 5.391 -11.311) 13.829 9.011 ( 5.852 5.391 -11.311) 13.829 9.192 ( -15.695 -6.649 -1.634) 17.123 9.192 ( 15.695 -6.649 -1.634) 17.123 9.550 ( -13.835 -4.549 -3.155) 14.902 9.550 ( 13.835 -4.549 -3.155) 14.902 9.881 ( -6.640 13.524 -3.352) 15.435 9.881 ( 6.640 13.524 -3.352) 15.435 10.345 ( -8.499 6.976 -0.257) 10.998 10.345 ( 8.499 6.976 -0.257) 10.998 10.702 ( -11.194 -4.345 -12.924) 17.641 10.702 ( 11.194 -4.345 -12.924) 17.641 10.983 ( -5.032 -20.290 -2.506) 21.055 10.983 ( 5.032 -20.290 -2.506) 21.055 11.163 ( -4.947 -2.300 -15.318) 16.260 11.163 ( 4.947 -2.300 -15.318) 16.260 11.808 ( -7.387 -4.624 7.423) 11.447 11.808 ( 7.387 -4.624 7.423) 11.447 12.147 ( -10.214 -0.272 -2.868) 10.612 12.147 ( 10.214 -0.272 -2.868) 10.612 12.666 ( -4.428 -24.770 -1.964) 25.239 12.666 ( 4.428 -24.770 -1.964) 25.239 13.338 ( -6.231 3.410 -2.135) 7.416 13.338 ( 6.231 3.410 -2.135) 7.416 13.467 ( -9.346 10.685 6.051) 15.432 13.467 ( 9.346 10.685 6.051) 15.432 13.978 ( -13.311 16.636 6.604) 22.306 13.978 ( 13.311 16.636 6.604) 22.306 14.651 ( -1.886 -0.692 4.156) 4.617 14.651 ( 1.886 -0.692 4.156) 4.617 14.877 ( -3.608 9.003 2.970) 10.143 14.877 ( 3.608 9.003 2.970) 10.143 15.131 ( -7.781 2.783 8.018) 11.514 15.131 ( 7.781 2.783 8.018) 11.514 15.529 ( -7.002 -8.689 8.619) 14.100 15.529 ( 7.002 -8.689 8.619) 14.100 16.042 ( -9.592 -1.116 2.965) 10.101 16.042 ( 9.592 -1.116 2.965) 10.101 16.450 ( -6.985 -5.834 0.658) 9.125 16.450 ( 6.985 -5.834 0.658) 9.125 16.547 ( -6.032 -1.081 7.948) 10.036 16.547 ( 6.032 -1.081 7.948) 10.036 16.837 ( -6.514 -0.243 3.560) 7.427 16.837 ( 6.514 -0.243 3.560) 7.427 17.020 ( -7.209 -5.761 13.839) 16.633 17.020 ( 7.209 -5.761 13.839) 16.633 17.142 ( -2.241 13.826 0.294) 14.010 17.142 ( 2.241 13.826 0.294) 14.010 17.740 ( -4.958 0.422 -6.765) 8.398 17.740 ( 4.958 0.422 -6.765) 8.398 18.565 ( -8.683 2.139 -7.766) 11.844 18.565 ( 8.683 2.139 -7.766) 11.844 18.982 ( -3.192 0.562 -1.868) 3.741 18.982 ( 3.192 0.562 -1.868) 3.741 19.468 ( -9.852 -2.041 -5.712) 11.570 19.468 ( 9.852 -2.041 -5.712) 11.570 19.686 ( -12.689 -3.327 -4.432) 13.846 19.686 ( 12.689 -3.327 -4.432) 13.846 21.312 ( -2.450 -0.724 0.243) 2.566 21.312 ( 2.450 -0.724 0.243) 2.566 21.364 ( -3.176 -1.137 -1.037) 3.529 21.364 ( 3.176 -1.137 -1.037) 3.529 22.635 ( -13.392 13.475 -29.295) 34.916 22.635 ( 13.392 13.475 -29.295) 34.916 24.142 ( -12.252 -13.820 -20.654) 27.707 24.142 ( 12.252 -13.820 -20.654) 27.707 25.184 ( -2.718 4.212 0.855) 5.086 25.184 ( 2.718 4.212 0.855) 5.086 25.281 ( -3.074 5.442 8.514) 10.562 25.281 ( 3.074 5.442 8.514) 10.562 25.547 ( -2.593 -1.271 2.628) 3.904 25.547 ( 2.593 -1.271 2.628) 3.904 25.914 ( -7.197 -4.872 5.582) 10.329 25.914 ( 7.197 -4.872 5.582) 10.329 ======================= Grid point 112 (41/96) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 0.000 24.914 31.298) 40.004 2.617 ( 0.000 27.690 33.211) 43.240 3.651 ( 0.000 -30.320 8.351) 31.449 3.803 ( 0.000 -29.359 17.868) 34.369 3.968 ( 0.000 35.904 31.974) 48.077 4.689 ( 0.000 4.572 22.050) 22.519 4.836 ( 0.000 -5.026 9.089) 10.386 4.905 ( 0.000 -5.363 18.799) 19.549 5.140 ( 0.000 5.858 5.143) 7.795 5.305 ( 0.000 -0.816 7.551) 7.595 5.409 ( 0.000 6.871 7.142) 9.910 5.509 ( 0.000 -6.751 1.337) 6.882 5.538 ( 0.000 7.762 2.317) 8.101 5.706 ( 0.000 -1.307 -13.715) 13.777 5.921 ( 0.000 5.986 -1.185) 6.103 6.071 ( 0.000 -4.355 5.345) 6.895 6.193 ( 0.000 -5.188 5.509) 7.568 6.525 ( 0.000 -18.880 1.467) 18.937 6.783 ( 0.000 5.517 3.554) 6.562 6.809 ( 0.000 -2.974 7.389) 7.965 6.984 ( 0.000 6.732 -3.120) 7.420 7.018 ( 0.000 -5.522 -6.151) 8.266 7.274 ( 0.000 5.091 -2.418) 5.636 7.401 ( 0.000 7.223 -12.086) 14.080 7.436 ( 0.000 2.980 -11.587) 11.964 7.577 ( 0.000 11.875 -2.625) 12.161 7.772 ( 0.000 -6.519 -7.036) 9.592 7.788 ( 0.000 1.270 5.642) 5.783 8.179 ( 0.000 -3.069 -6.928) 7.578 8.267 ( 0.000 -9.146 -9.155) 12.941 8.429 ( 0.000 19.021 -9.872) 21.430 8.499 ( 0.000 5.962 -2.338) 6.404 8.785 ( 0.000 -1.856 0.419) 1.903 8.969 ( 0.000 5.123 4.490) 6.812 9.146 ( 0.000 -3.723 -4.573) 5.897 9.161 ( 0.000 -2.858 -5.536) 6.230 9.248 ( 0.000 -1.181 12.895) 12.949 9.382 ( 0.000 -5.889 -10.904) 12.393 9.632 ( 0.000 14.181 0.142) 14.182 9.693 ( 0.000 6.039 -1.828) 6.309 9.870 ( 0.000 8.336 -7.825) 11.433 10.025 ( 0.000 0.361 -10.055) 10.061 10.189 ( 0.000 -0.633 12.034) 12.051 10.350 ( 0.000 5.527 -9.603) 11.080 10.633 ( 0.000 0.666 -5.498) 5.538 10.702 ( 0.000 1.118 -14.960) 15.002 11.083 ( 0.000 -4.072 -7.963) 8.943 11.098 ( 0.000 0.194 3.481) 3.487 11.186 ( 0.000 -24.589 -3.565) 24.846 11.445 ( 0.000 -19.022 -1.219) 19.061 11.609 ( 0.000 -13.204 -2.630) 13.463 11.610 ( 0.000 -9.530 6.261) 11.402 11.717 ( 0.000 -7.442 -13.252) 15.198 11.822 ( 0.000 -16.105 3.974) 16.588 12.026 ( 0.000 -1.042 -2.851) 3.036 12.101 ( 0.000 -0.578 -13.925) 13.937 13.551 ( 0.000 7.973 -13.015) 15.263 13.685 ( 0.000 5.173 5.749) 7.733 13.692 ( 0.000 1.069 -5.156) 5.265 13.783 ( 0.000 4.311 0.890) 4.402 13.989 ( 0.000 -0.107 9.403) 9.404 14.071 ( 0.000 10.444 3.808) 11.117 14.689 ( 0.000 8.211 15.309) 17.372 14.795 ( 0.000 0.177 0.770) 0.790 14.940 ( 0.000 1.529 8.717) 8.851 14.957 ( 0.000 15.941 -1.716) 16.034 15.241 ( 0.000 8.196 6.946) 10.743 15.286 ( 0.000 -8.437 11.653) 14.387 15.421 ( 0.000 14.904 7.107) 16.512 15.606 ( 0.000 -7.892 7.043) 10.577 15.934 ( 0.000 14.240 12.360) 18.856 16.172 ( 0.000 -12.243 1.302) 12.313 16.269 ( 0.000 -7.425 13.620) 15.513 16.349 ( 0.000 -6.131 8.678) 10.625 16.410 ( 0.000 -10.171 6.020) 11.818 16.432 ( 0.000 -1.349 8.789) 8.892 16.627 ( 0.000 -3.115 7.249) 7.890 16.804 ( 0.000 -11.848 9.078) 14.926 16.966 ( 0.000 3.872 -2.131) 4.420 17.147 ( 0.000 -2.616 -3.695) 4.527 17.409 ( 0.000 4.553 2.870) 5.382 17.480 ( 0.000 -0.411 5.071) 5.087 17.692 ( 0.000 12.033 -0.893) 12.066 17.853 ( 0.000 1.329 -0.597) 1.458 18.213 ( 0.000 11.033 -23.809) 26.241 18.494 ( 0.000 -7.418 -18.594) 20.019 18.976 ( 0.000 5.758 0.303) 5.766 19.081 ( 0.000 2.302 -0.249) 2.316 19.155 ( 0.000 -1.260 -1.147) 1.704 19.166 ( 0.000 -0.206 -2.068) 2.078 20.060 ( 0.000 -3.423 -6.874) 7.679 20.062 ( 0.000 -3.637 -1.733) 4.028 21.024 ( 0.000 0.180 -0.282) 0.334 21.044 ( 0.000 -0.821 -0.868) 1.195 21.353 ( 0.000 1.993 -0.795) 2.146 21.432 ( 0.000 -1.763 0.239) 1.779 22.525 ( 0.000 14.351 -32.347) 35.387 23.052 ( 0.000 -6.994 -31.536) 32.302 23.924 ( 0.000 5.718 -14.536) 15.621 24.382 ( 0.000 -11.622 -15.839) 19.645 25.156 ( 0.000 2.748 7.097) 7.611 25.221 ( 0.000 0.488 11.810) 11.820 25.286 ( 0.000 4.971 -1.316) 5.143 25.328 ( 0.000 1.005 -0.409) 1.086 25.451 ( 0.000 2.425 2.060) 3.182 25.612 ( 0.000 -3.739 4.900) 6.163 25.752 ( 0.000 3.977 3.331) 5.187 26.045 ( 0.000 -10.025 1.470) 10.132 ======================= Grid point 113 (42/96) ======================= q-point: ( 0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 10.766 27.171 26.589) 39.511 2.852 ( 19.615 24.834 30.540) 43.979 3.698 ( 4.253 -24.436 9.933) 26.718 3.896 ( 9.342 -27.625 14.664) 32.641 4.070 ( 10.474 27.381 27.970) 40.518 4.459 ( -18.777 4.612 16.624) 25.499 4.829 ( -6.294 0.728 14.065) 15.426 4.933 ( 0.841 1.629 14.600) 14.714 5.015 ( -5.481 2.870 9.638) 11.453 5.333 ( -0.165 -3.796 -0.017) 3.800 5.387 ( -5.452 2.650 12.203) 13.626 5.463 ( -1.396 -1.920 5.172) 5.691 5.569 ( 0.395 -5.330 -1.141) 5.466 5.779 ( 6.765 3.221 -8.140) 11.063 5.898 ( -3.648 -0.084 2.906) 4.664 6.051 ( 1.949 -5.245 1.867) 5.898 6.230 ( 4.465 -0.376 2.093) 4.946 6.499 ( -5.866 -6.395 4.190) 9.636 6.587 ( -6.865 -6.502 1.327) 9.548 6.723 ( -11.244 -5.258 3.637) 12.935 7.059 ( 3.329 8.551 -0.485) 9.189 7.103 ( 0.853 3.403 0.406) 3.531 7.202 ( -0.623 8.977 -7.524) 11.730 7.342 ( -6.299 9.646 -9.640) 15.022 7.580 ( 8.195 -2.610 -5.758) 10.350 7.625 ( 5.684 3.964 -2.706) 7.440 7.754 ( -0.095 -5.453 -3.441) 6.449 7.808 ( 2.543 2.959 2.607) 4.692 8.229 ( 6.040 -4.921 -8.185) 11.300 8.296 ( 2.798 -7.679 -7.795) 11.294 8.477 ( 5.109 17.168 -8.179) 19.691 8.563 ( 4.188 4.699 -1.017) 6.376 8.808 ( 3.454 0.948 -2.166) 4.186 8.962 ( -0.106 2.622 0.862) 2.762 9.072 ( -6.298 -0.566 -1.355) 6.467 9.134 ( -1.132 -5.088 -2.174) 5.647 9.241 ( -4.418 2.580 3.997) 6.492 9.355 ( -3.390 1.588 -11.257) 11.863 9.556 ( -7.459 7.378 0.323) 10.497 9.764 ( -2.380 -0.130 -1.478) 2.805 9.810 ( 8.112 4.144 0.017) 9.109 10.068 ( 4.539 4.777 -8.329) 10.621 10.239 ( 0.852 6.904 -2.888) 7.532 10.373 ( 2.774 -1.315 -4.643) 5.566 10.621 ( -5.771 2.545 -12.228) 13.759 10.692 ( 2.699 -0.997 -4.546) 5.380 10.872 ( -6.873 2.977 -4.607) 8.793 11.074 ( -10.762 -24.343 -2.601) 26.742 11.257 ( -15.525 -13.610 -0.387) 20.649 11.304 ( 1.334 -13.968 -8.840) 16.584 11.574 ( 4.025 -0.771 0.690) 4.156 11.621 ( 4.979 -3.827 3.770) 7.325 11.731 ( 0.551 -14.353 -10.015) 17.511 11.983 ( 5.221 -5.187 -9.113) 11.714 12.069 ( 10.535 -11.219 -1.460) 15.459 12.196 ( 5.438 -8.169 -2.523) 10.132 13.479 ( -6.204 4.977 -7.035) 10.618 13.551 ( -4.192 4.379 -0.367) 6.074 13.716 ( 0.605 8.486 -4.408) 9.582 13.841 ( -3.461 -1.022 6.234) 7.203 14.046 ( 6.264 6.124 7.170) 11.321 14.184 ( 11.275 14.360 2.647) 18.448 14.618 ( -5.878 2.363 4.180) 7.590 14.770 ( 1.640 2.262 7.342) 7.855 14.910 ( -5.162 9.081 14.795) 18.111 15.059 ( 0.311 6.243 1.626) 6.459 15.166 ( -3.231 1.571 10.622) 11.213 15.243 ( 1.219 6.179 7.513) 9.804 15.316 ( -5.312 0.332 3.279) 6.251 15.663 ( 0.394 -5.782 7.444) 9.434 16.056 ( -7.320 -3.285 3.704) 8.837 16.072 ( 5.415 6.990 12.312) 15.158 16.175 ( 0.580 -7.620 3.882) 8.572 16.382 ( 3.878 -5.610 6.578) 9.475 16.489 ( 2.347 -3.700 11.813) 12.599 16.561 ( 5.745 -2.372 12.821) 14.248 16.647 ( 5.666 -7.023 3.489) 9.675 16.761 ( -6.037 -8.426 8.002) 13.094 16.911 ( -3.359 2.721 -2.242) 4.870 17.100 ( -5.004 -4.595 -1.964) 7.072 17.379 ( -1.134 5.184 1.003) 5.400 17.479 ( 0.085 0.906 2.817) 2.960 17.664 ( -2.485 10.678 -1.611) 11.081 17.860 ( -0.584 0.708 -1.777) 2.000 18.304 ( 9.173 10.463 -20.555) 24.822 18.581 ( 7.350 -5.845 -13.690) 16.601 18.954 ( -1.588 3.569 -2.364) 4.566 19.059 ( -3.395 -1.972 1.367) 4.158 19.165 ( 5.123 2.537 -5.431) 7.885 19.235 ( 4.281 -0.060 0.304) 4.292 19.948 ( -10.761 -2.514 -5.987) 12.568 19.989 ( -7.447 -4.607 -1.663) 8.913 21.098 ( 6.041 -0.505 -0.873) 6.125 21.105 ( 6.636 -0.805 -0.413) 6.697 21.353 ( -0.096 1.672 -0.728) 1.826 21.423 ( -0.993 -1.606 0.214) 1.900 22.575 ( 5.485 15.505 -32.060) 36.033 23.112 ( 5.741 -4.132 -31.707) 32.486 23.805 ( -10.961 3.395 -15.188) 19.036 24.300 ( -8.728 -13.697 -17.753) 24.062 25.178 ( 2.632 4.003 8.085) 9.398 25.265 ( 2.735 0.878 7.917) 8.422 25.295 ( 1.428 5.314 -0.022) 5.503 25.343 ( 2.075 1.296 1.173) 2.713 25.447 ( -0.285 1.328 2.488) 2.834 25.622 ( 0.800 -3.703 5.433) 6.623 25.728 ( -2.286 3.115 3.405) 5.150 26.008 ( -3.912 -9.383 2.944) 10.584 ======================= Grid point 114 (43/96) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( 24.479 24.570 19.228) 39.656 3.232 ( 19.754 22.459 24.029) 38.367 3.726 ( -4.570 -0.056 14.620) 15.318 3.967 ( -17.052 -2.677 15.795) 23.397 4.213 ( 8.467 -9.965 4.324) 13.773 4.325 ( 16.435 1.312 16.620) 23.410 4.753 ( -10.815 -5.211 10.772) 16.129 4.789 ( 0.698 10.258 17.560) 20.349 5.017 ( -2.809 6.404 9.396) 11.713 5.094 ( -18.185 -10.429 0.743) 20.976 5.349 ( 0.061 -7.744 4.083) 8.755 5.494 ( -5.310 -12.834 9.846) 17.025 5.581 ( 9.173 4.407 12.236) 15.915 5.833 ( 4.225 6.343 0.894) 7.674 5.958 ( 6.531 -5.706 -2.358) 8.987 6.118 ( -1.489 -4.101 -1.231) 4.533 6.292 ( -7.644 1.777 10.232) 12.895 6.335 ( 5.013 2.190 2.374) 5.964 6.500 ( -6.463 -6.272 1.474) 9.126 6.546 ( -8.908 -5.138 5.017) 11.442 7.017 ( -2.683 5.345 -0.413) 5.995 7.093 ( 2.855 4.449 -3.427) 6.300 7.189 ( -7.457 12.312 -7.893) 16.416 7.290 ( -0.102 5.169 -6.577) 8.366 7.586 ( 1.756 0.366 1.564) 2.380 7.708 ( -1.931 5.502 -3.515) 6.808 7.853 ( 6.582 -2.972 -1.950) 7.481 7.871 ( 3.419 -1.844 3.095) 4.967 8.387 ( 8.895 -7.806 -5.924) 13.234 8.393 ( 9.035 -4.905 -8.523) 13.354 8.571 ( -0.760 7.056 -1.296) 7.214 8.615 ( 7.403 13.101 -3.585) 15.469 8.885 ( -7.238 -4.828 0.291) 8.705 8.909 ( 2.454 -1.683 -6.368) 7.029 9.013 ( -3.065 4.150 1.049) 5.264 9.069 ( -4.153 -3.496 -5.517) 7.740 9.170 ( 1.618 4.460 -0.982) 4.845 9.320 ( 2.434 7.191 -7.670) 10.792 9.393 ( -10.257 5.341 -5.880) 12.974 9.675 ( -6.242 -2.845 -1.338) 6.989 10.037 ( 9.964 0.386 -0.475) 9.983 10.137 ( 2.407 10.047 -9.195) 13.830 10.271 ( 5.192 7.597 -1.375) 9.304 10.428 ( 3.340 -6.606 0.195) 7.405 10.537 ( -0.430 3.027 -12.917) 13.274 10.668 ( -5.714 -12.218 -1.845) 13.614 10.794 ( -8.595 6.756 -1.546) 11.041 10.837 ( -10.584 -11.228 -6.039) 16.570 11.053 ( -2.346 -7.861 -14.892) 17.002 11.251 ( -6.171 -5.766 -12.446) 15.040 11.569 ( 0.670 -15.834 2.057) 15.981 11.674 ( -2.359 -15.844 2.028) 16.146 11.911 ( 13.442 2.042 -2.391) 13.805 12.084 ( 5.164 -1.819 -8.897) 10.447 12.210 ( 3.559 -13.671 -4.857) 14.939 12.274 ( 3.450 -13.645 2.675) 14.327 13.417 ( -0.386 8.373 -5.674) 10.121 13.502 ( -2.259 4.835 -2.006) 5.702 13.685 ( -3.032 3.475 5.299) 7.024 13.748 ( -5.192 5.365 6.426) 9.851 14.175 ( 7.905 16.207 4.374) 18.555 14.347 ( 4.129 13.186 2.220) 13.994 14.539 ( -2.210 -3.448 0.341) 4.110 14.714 ( -10.763 6.476 9.139) 15.534 14.910 ( 6.652 3.436 10.462) 12.865 14.999 ( 0.782 -3.646 12.845) 13.375 15.106 ( -1.985 6.836 5.234) 8.835 15.283 ( 1.439 -10.900 7.596) 13.364 15.373 ( 5.351 8.129 7.141) 12.071 15.555 ( -9.377 -1.993 7.721) 12.309 15.947 ( -3.284 2.043 -7.092) 8.078 16.133 ( 3.504 4.866 9.646) 11.358 16.212 ( -0.548 -17.489 4.115) 17.975 16.434 ( -7.476 -3.589 11.519) 14.193 16.485 ( 2.365 3.103 6.102) 7.243 16.599 ( -0.769 -3.325 8.280) 8.956 16.690 ( 6.438 -2.952 5.571) 9.012 16.789 ( 5.445 -2.952 7.154) 9.462 16.899 ( 1.112 -2.224 3.994) 4.705 16.985 ( -6.551 -4.640 2.828) 8.511 17.375 ( 0.634 7.890 0.109) 7.916 17.487 ( -1.428 9.862 -1.613) 10.094 17.635 ( 1.523 1.439 -3.601) 4.166 17.816 ( -3.994 -1.043 -4.035) 5.773 18.501 ( 10.644 9.050 -13.800) 19.638 18.683 ( 2.312 0.948 -7.704) 8.099 18.937 ( 0.010 -0.935 -5.230) 5.313 18.997 ( -2.947 -3.940 -2.862) 5.692 19.307 ( 8.676 0.477 -2.546) 9.054 19.333 ( 7.621 -0.182 -1.810) 7.835 19.718 ( -12.691 -1.501 -5.002) 13.724 19.808 ( -11.479 -5.947 -1.763) 13.047 21.214 ( 5.975 -0.378 -0.138) 5.988 21.239 ( 6.641 -1.496 -0.607) 6.834 21.344 ( -1.106 0.810 -0.465) 1.448 21.394 ( -2.220 -1.353 0.068) 2.601 22.730 ( 11.240 18.160 -30.641) 37.350 23.175 ( -3.339 12.695 -29.713) 32.483 23.649 ( -0.811 -12.762 -19.588) 23.392 24.079 ( -14.404 -17.208 -21.030) 30.755 25.236 ( 2.910 5.375 6.078) 8.620 25.283 ( 0.021 3.096 2.901) 4.243 25.335 ( 2.492 4.085 2.514) 5.405 25.411 ( 2.757 5.935 6.212) 9.023 25.447 ( 1.732 -3.539 2.086) 4.458 25.613 ( -2.843 1.836 5.263) 6.257 25.709 ( 1.836 -4.463 5.094) 7.017 25.910 ( -6.329 -8.253 5.478) 11.755 ======================= Grid point 115 (44/96) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.338 ( -22.378 18.190 16.211) 33.082 3.338 ( 22.378 18.190 16.211) 33.082 3.640 ( -12.665 15.062 17.654) 26.437 3.640 ( 12.665 15.062 17.654) 26.437 4.483 ( -15.745 -11.510 5.401) 20.237 4.483 ( 15.745 -11.510 5.401) 20.237 4.673 ( -20.426 -9.932 6.535) 23.634 4.673 ( 20.426 -9.932 6.535) 23.634 4.938 ( -7.988 5.317 13.210) 16.327 4.938 ( 7.988 5.317 13.210) 16.327 5.385 ( -4.246 -11.978 5.946) 14.031 5.385 ( 4.246 -11.978 5.946) 14.031 5.827 ( -13.636 5.535 10.210) 17.911 5.827 ( 13.636 5.535 10.210) 17.911 6.002 ( -2.156 1.929 2.961) 4.139 6.002 ( 2.156 1.929 2.961) 4.139 6.340 ( -5.544 -3.134 8.691) 10.775 6.340 ( 5.544 -3.134 8.691) 10.775 6.423 ( -1.633 -4.761 -0.237) 5.039 6.423 ( 1.633 -4.761 -0.237) 5.039 7.050 ( -5.740 9.181 -4.475) 11.717 7.050 ( 5.740 9.181 -4.475) 11.717 7.204 ( -7.063 1.605 -6.007) 9.410 7.204 ( 7.063 1.605 -6.007) 9.410 7.655 ( -3.912 5.867 -0.441) 7.065 7.655 ( 3.912 5.867 -0.441) 7.065 7.903 ( -0.772 -1.707 1.464) 2.378 7.903 ( 0.772 -1.707 1.464) 2.378 8.513 ( -3.916 2.092 -2.810) 5.254 8.513 ( 3.916 2.092 -2.810) 5.254 8.607 ( -10.552 -6.079 -7.364) 14.231 8.607 ( 10.552 -6.079 -7.364) 14.231 8.851 ( -8.261 5.638 -1.140) 10.066 8.851 ( 8.261 5.638 -1.140) 10.066 9.018 ( -5.119 -5.814 -0.205) 7.749 9.018 ( 5.119 -5.814 -0.205) 7.749 9.221 ( -5.899 11.616 -9.952) 16.394 9.221 ( 5.899 11.616 -9.952) 16.394 9.497 ( -12.577 -1.497 -2.910) 12.996 9.497 ( 12.577 -1.497 -2.910) 12.996 10.128 ( -3.145 9.006 -5.866) 11.199 10.128 ( 3.145 9.006 -5.866) 11.199 10.467 ( -12.311 -0.936 2.331) 12.565 10.467 ( 12.311 -0.936 2.331) 12.565 10.538 ( -7.389 -8.394 -3.085) 11.600 10.538 ( 7.389 -8.394 -3.085) 11.600 10.692 ( -6.861 -2.112 -10.821) 12.986 10.692 ( 6.861 -2.112 -10.821) 12.986 11.119 ( -6.703 -1.549 -15.319) 16.793 11.119 ( 6.703 -1.549 -15.319) 16.793 11.615 ( -3.528 -17.517 4.043) 18.321 11.615 ( 3.528 -17.517 4.043) 18.321 12.082 ( -5.233 -1.916 -5.813) 8.053 12.082 ( 5.233 -1.916 -5.813) 8.053 12.283 ( -3.078 -13.236 -1.551) 13.678 12.283 ( 3.078 -13.236 -1.551) 13.678 13.448 ( -3.281 8.544 -3.638) 9.848 13.448 ( 3.281 8.544 -3.638) 9.848 13.670 ( -2.311 5.796 8.492) 10.538 13.670 ( 2.311 5.796 8.492) 10.538 14.327 ( -6.508 17.175 2.842) 18.585 14.327 ( 6.508 17.175 2.842) 18.585 14.550 ( -4.853 -2.158 2.189) 5.745 14.550 ( 4.853 -2.158 2.189) 5.745 14.972 ( -4.079 -6.412 12.816) 14.900 14.972 ( 4.079 -6.412 12.816) 14.900 15.264 ( -10.413 -0.697 8.578) 13.509 15.264 ( 10.413 -0.697 8.578) 13.509 15.397 ( -5.275 8.083 6.726) 11.764 15.397 ( 5.275 8.083 6.726) 11.764 16.024 ( -10.129 -2.786 -6.209) 12.203 16.024 ( 10.129 -2.786 -6.209) 12.203 16.289 ( -7.256 -5.183 10.968) 14.135 16.289 ( 7.256 -5.183 10.968) 14.135 16.552 ( -4.524 -2.873 8.715) 10.231 16.552 ( 4.524 -2.873 8.715) 10.231 16.818 ( -3.485 -0.839 1.043) 3.733 16.818 ( 3.485 -0.839 1.043) 3.733 16.910 ( -1.450 -3.931 10.933) 11.708 16.910 ( 1.450 -3.931 10.933) 11.708 17.417 ( -4.020 12.862 -1.484) 13.557 17.417 ( 4.020 12.862 -1.484) 13.557 17.721 ( -5.881 -2.821 -5.261) 8.380 17.721 ( 5.881 -2.821 -5.261) 8.380 18.655 ( -5.256 7.124 -8.228) 12.087 18.655 ( 5.256 7.124 -8.228) 12.087 18.954 ( -1.669 -4.258 -5.394) 7.071 18.954 ( 1.669 -4.258 -5.394) 7.071 19.445 ( -5.030 0.530 -2.626) 5.699 19.445 ( 5.030 0.530 -2.626) 5.699 19.599 ( -7.755 -5.252 -3.046) 9.849 19.599 ( 7.755 -5.252 -3.046) 9.849 21.303 ( -3.481 -0.030 -0.077) 3.482 21.303 ( 3.481 -0.030 -0.077) 3.482 21.338 ( -4.025 -1.419 -0.260) 4.276 21.338 ( 4.025 -1.419 -0.260) 4.276 22.976 ( -14.318 20.351 -28.245) 37.642 22.976 ( 14.318 20.351 -28.245) 37.642 23.804 ( -13.976 -19.896 -23.184) 33.596 23.804 ( 13.976 -19.896 -23.184) 33.596 25.273 ( -1.136 4.830 3.320) 5.970 25.273 ( 1.136 4.830 3.320) 5.970 25.389 ( -2.859 3.214 4.696) 6.368 25.389 ( 2.859 3.214 4.696) 6.368 25.533 ( -5.158 1.617 4.065) 6.763 25.533 ( 5.158 1.617 4.065) 6.763 25.790 ( -6.103 -7.415 6.663) 11.689 25.790 ( 6.103 -7.415 6.663) 11.689 ======================= Grid point 119 (45/96) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( 0.000 -28.354 17.157) 33.141 3.015 ( 0.000 28.354 17.157) 33.141 3.216 ( 0.000 -27.505 25.235) 37.327 3.216 ( 0.000 27.505 25.235) 37.327 4.562 ( 0.000 -23.112 17.148) 28.779 4.562 ( 0.000 23.112 17.148) 28.779 4.792 ( 0.000 -5.773 20.687) 21.477 4.792 ( 0.000 5.773 20.687) 21.477 5.257 ( 0.000 -4.698 4.315) 6.379 5.257 ( 0.000 4.698 4.315) 6.379 5.463 ( 0.000 -0.038 4.662) 4.662 5.463 ( 0.000 0.038 4.662) 4.662 5.643 ( 0.000 -4.701 -7.834) 9.136 5.643 ( 0.000 4.701 -7.834) 9.136 6.069 ( 0.000 -5.347 9.154) 10.602 6.069 ( 0.000 5.347 9.154) 10.602 6.167 ( 0.000 -16.351 2.459) 16.534 6.167 ( 0.000 16.351 2.459) 16.534 6.820 ( 0.000 -2.109 7.301) 7.599 6.820 ( 0.000 2.109 7.301) 7.599 6.997 ( 0.000 -2.731 -4.888) 5.599 6.997 ( 0.000 2.731 -4.888) 5.599 7.385 ( 0.000 -4.479 -6.862) 8.195 7.385 ( 0.000 4.479 -6.862) 8.195 7.602 ( 0.000 -7.945 -12.360) 14.693 7.602 ( 0.000 7.945 -12.360) 14.693 7.777 ( 0.000 -3.297 4.632) 5.686 7.777 ( 0.000 3.297 4.632) 5.686 8.141 ( 0.000 -1.254 -8.658) 8.748 8.141 ( 0.000 1.254 -8.658) 8.748 8.604 ( 0.000 -2.586 -3.141) 4.068 8.604 ( 0.000 2.586 -3.141) 4.068 8.878 ( 0.000 -13.150 -8.425) 15.617 8.878 ( 0.000 13.150 -8.425) 15.617 9.168 ( 0.000 -12.372 -3.156) 12.768 9.168 ( 0.000 12.372 -3.156) 12.768 9.209 ( 0.000 -0.973 3.531) 3.662 9.209 ( 0.000 0.973 3.531) 3.662 9.799 ( 0.000 -0.027 -4.804) 4.804 9.799 ( 0.000 0.027 -4.804) 4.804 10.095 ( 0.000 -0.145 0.847) 0.860 10.095 ( 0.000 0.145 0.847) 0.860 10.174 ( 0.000 -8.730 -3.869) 9.549 10.174 ( 0.000 8.730 -3.869) 9.549 10.746 ( 0.000 -11.733 -6.254) 13.295 10.746 ( 0.000 11.733 -6.254) 13.295 10.955 ( 0.000 -19.185 -1.336) 19.232 10.955 ( 0.000 19.185 -1.336) 19.232 11.123 ( 0.000 -3.732 -8.763) 9.524 11.123 ( 0.000 3.732 -8.763) 9.524 11.544 ( 0.000 -3.959 -1.194) 4.135 11.544 ( 0.000 3.959 -1.194) 4.135 11.616 ( 0.000 -3.708 1.943) 4.186 11.616 ( 0.000 3.708 1.943) 4.186 12.058 ( 0.000 -3.276 -9.043) 9.618 12.058 ( 0.000 3.276 -9.043) 9.618 13.608 ( 0.000 -1.369 -5.600) 5.765 13.608 ( 0.000 1.369 -5.600) 5.765 13.854 ( 0.000 -0.041 3.188) 3.188 13.854 ( 0.000 0.041 3.188) 3.188 14.079 ( 0.000 -8.193 -2.483) 8.561 14.079 ( 0.000 8.193 -2.483) 8.561 14.737 ( 0.000 -0.004 9.157) 9.157 14.737 ( 0.000 0.004 9.157) 9.157 15.052 ( 0.000 -6.554 11.531) 13.264 15.052 ( 0.000 6.554 11.531) 13.264 15.357 ( 0.000 -12.246 7.968) 14.610 15.357 ( 0.000 12.246 7.968) 14.610 15.516 ( 0.000 -6.026 3.540) 6.989 15.516 ( 0.000 6.026 3.540) 6.989 16.097 ( 0.000 -5.773 5.944) 8.286 16.097 ( 0.000 5.773 5.944) 8.286 16.210 ( 0.000 -12.499 5.987) 13.859 16.210 ( 0.000 12.499 5.987) 13.859 16.311 ( 0.000 -1.472 14.043) 14.120 16.311 ( 0.000 1.472 14.043) 14.120 16.645 ( 0.000 -4.547 10.773) 11.693 16.645 ( 0.000 4.547 10.773) 11.693 17.068 ( 0.000 -5.319 -4.415) 6.913 17.068 ( 0.000 5.319 -4.415) 6.913 17.466 ( 0.000 -1.452 2.985) 3.319 17.466 ( 0.000 1.452 2.985) 3.319 17.843 ( 0.000 -3.333 -1.119) 3.516 17.843 ( 0.000 3.333 -1.119) 3.516 18.369 ( 0.000 -6.088 -22.242) 23.060 18.369 ( 0.000 6.088 -22.242) 23.060 19.066 ( 0.000 -3.150 2.779) 4.201 19.066 ( 0.000 3.150 2.779) 4.201 19.157 ( 0.000 -0.698 -4.328) 4.384 19.157 ( 0.000 0.698 -4.328) 4.384 20.021 ( 0.000 -0.011 -3.406) 3.406 20.021 ( 0.000 0.011 -3.406) 3.406 21.030 ( 0.000 -0.511 -0.565) 0.761 21.030 ( 0.000 0.511 -0.565) 0.761 21.394 ( 0.000 -2.105 0.061) 2.105 21.394 ( 0.000 2.105 0.061) 2.105 22.819 ( 0.000 -14.891 -30.958) 34.353 22.819 ( 0.000 14.891 -30.958) 34.353 24.131 ( 0.000 -13.276 -18.288) 22.599 24.131 ( 0.000 13.276 -18.288) 22.599 25.206 ( 0.000 -1.988 9.320) 9.529 25.206 ( 0.000 1.988 9.320) 9.529 25.332 ( 0.000 -0.642 0.099) 0.650 25.332 ( 0.000 0.642 0.099) 0.650 25.527 ( 0.000 -4.646 3.396) 5.755 25.527 ( 0.000 4.646 3.396) 5.755 25.868 ( 0.000 -7.756 3.250) 8.410 25.868 ( 0.000 7.756 3.250) 8.410 ======================= Grid point 121 (46/96) ======================= q-point: ( 0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( 10.301 -32.326 15.620) 37.350 3.113 ( 10.301 32.326 15.620) 37.350 3.363 ( 14.980 -27.127 23.215) 38.720 3.363 ( 14.980 27.127 23.215) 38.720 4.470 ( -9.257 -8.121 16.290) 20.421 4.470 ( -9.257 8.121 16.290) 20.421 4.842 ( 4.357 -6.338 16.539) 18.240 4.842 ( 4.357 6.338 16.539) 18.240 5.183 ( -7.262 -10.334 5.427) 13.747 5.183 ( -7.262 10.334 5.427) 13.747 5.424 ( -6.101 -4.557 2.632) 8.057 5.424 ( -6.101 4.557 2.632) 8.057 5.654 ( 1.534 -11.274 1.732) 11.509 5.654 ( 1.534 11.274 1.732) 11.509 5.965 ( -2.766 -4.843 2.840) 6.259 5.965 ( -2.766 4.843 2.840) 6.259 6.309 ( 8.790 -9.191 3.326) 13.146 6.309 ( 8.790 9.191 3.326) 13.146 6.617 ( -13.033 -5.225 4.087) 14.624 6.617 ( -13.033 5.225 4.087) 14.624 7.128 ( 2.268 -1.227 0.800) 2.700 7.128 ( 2.268 1.227 0.800) 2.700 7.419 ( 3.296 -9.030 -7.751) 12.349 7.419 ( 3.296 9.030 -7.751) 12.349 7.551 ( -1.360 -5.218 -6.509) 8.452 7.551 ( -1.360 5.218 -6.509) 8.452 7.818 ( 2.758 -4.267 1.167) 5.213 7.818 ( 2.758 4.267 1.167) 5.213 8.176 ( 4.120 -2.822 -8.743) 10.068 8.176 ( 4.120 2.822 -8.743) 10.068 8.644 ( 4.289 -1.480 -1.810) 4.885 8.644 ( 4.289 1.480 -1.810) 4.885 8.876 ( -1.184 -9.616 -5.906) 11.347 8.876 ( -1.184 9.616 -5.906) 11.347 9.140 ( -2.347 -11.075 -4.274) 12.101 9.140 ( -2.347 11.075 -4.274) 12.101 9.229 ( 0.803 -7.613 -0.018) 7.655 9.229 ( 0.803 7.613 -0.018) 7.655 9.740 ( -5.812 -3.180 -2.585) 7.112 9.740 ( -5.812 3.180 -2.585) 7.112 10.040 ( -0.490 -19.115 0.935) 19.144 10.040 ( -0.490 19.115 0.935) 19.144 10.258 ( 4.938 -11.493 -6.888) 14.280 10.258 ( 4.938 11.493 -6.888) 14.280 10.705 ( -6.054 -9.974 -8.040) 14.169 10.705 ( -6.054 9.974 -8.040) 14.169 10.935 ( -2.695 -15.240 0.302) 15.479 10.935 ( -2.695 15.240 0.302) 15.479 11.054 ( -1.355 -5.870 -7.199) 9.387 11.054 ( -1.355 5.870 -7.199) 9.387 11.494 ( -6.236 -6.894 -3.511) 9.937 11.494 ( -6.236 6.894 -3.511) 9.937 11.782 ( 14.047 -9.882 1.904) 17.280 11.782 ( 14.047 9.882 1.904) 17.280 12.078 ( 2.151 -4.821 -8.892) 10.341 12.078 ( 2.151 4.821 -8.892) 10.341 13.557 ( -3.094 -3.052 -2.772) 5.155 13.557 ( -3.094 3.052 -2.772) 5.155 13.817 ( -3.615 -2.053 -0.068) 4.158 13.817 ( -3.615 2.053 -0.068) 4.158 14.226 ( 11.590 -9.650 -1.484) 15.154 14.226 ( 11.590 9.650 -1.484) 15.154 14.702 ( -0.673 -6.304 9.671) 11.564 14.702 ( -0.673 6.304 9.671) 11.564 15.014 ( -5.897 -3.020 15.140) 16.526 15.014 ( -5.897 3.020 15.140) 16.526 15.303 ( -7.599 -4.950 6.792) 11.331 15.303 ( -7.599 4.950 6.792) 11.331 15.508 ( 2.547 -9.161 1.324) 9.600 15.508 ( 2.547 9.161 1.324) 9.600 15.967 ( -5.786 -4.150 6.937) 9.941 15.967 ( -5.786 4.150 6.937) 9.941 16.320 ( 3.628 -12.581 8.821) 15.788 16.320 ( 3.628 12.581 8.821) 15.788 16.461 ( 14.228 -8.345 8.985) 18.783 16.461 ( 14.228 8.345 8.985) 18.783 16.616 ( -3.806 -5.371 10.925) 12.755 16.616 ( -3.806 5.371 10.925) 12.755 17.003 ( -5.661 -5.387 -4.494) 9.015 17.003 ( -5.661 5.387 -4.494) 9.015 17.456 ( 0.178 -2.688 1.243) 2.967 17.456 ( 0.178 2.688 1.243) 2.967 17.825 ( -2.436 -4.939 -1.862) 5.813 17.825 ( -2.436 4.939 -1.862) 5.813 18.467 ( 9.342 -6.547 -18.236) 21.510 18.467 ( 9.342 6.547 -18.236) 21.510 19.010 ( -4.308 -2.556 -1.019) 5.111 19.010 ( -4.308 2.556 -1.019) 5.111 19.216 ( 4.910 -2.024 -1.733) 5.587 19.216 ( 4.910 2.024 -1.733) 5.587 19.928 ( -9.210 -1.053 -2.971) 9.734 19.928 ( -9.210 1.053 -2.971) 9.734 21.095 ( 6.097 -0.184 -0.546) 6.124 21.095 ( 6.097 0.184 -0.546) 6.124 21.388 ( -0.643 -1.884 0.069) 1.992 21.388 ( -0.643 1.884 0.069) 1.992 22.890 ( 7.533 -15.688 -30.602) 35.205 22.890 ( 7.533 15.688 -30.602) 35.205 24.014 ( -11.908 -14.716 -19.328) 27.054 24.014 ( -11.908 14.716 -19.328) 27.054 25.250 ( 4.101 -2.709 8.269) 9.619 25.250 ( 4.101 2.709 8.269) 9.619 25.342 ( 1.091 -0.848 0.237) 1.402 25.342 ( 1.091 0.848 0.237) 1.402 25.525 ( 0.005 -5.477 4.399) 7.025 25.525 ( 0.005 5.477 4.399) 7.025 25.839 ( -3.180 -7.588 3.920) 9.113 25.839 ( -3.180 7.588 3.920) 9.113 ======================= Grid point 123 (47/96) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.370 ( 16.557 -23.759 14.509) 32.391 3.370 ( 16.557 23.759 14.509) 32.391 3.689 ( 15.543 -15.774 19.211) 29.317 3.689 ( 15.543 15.774 19.211) 29.317 4.278 ( -7.383 -6.356 10.255) 14.145 4.278 ( -7.383 6.356 10.255) 14.145 4.829 ( -13.419 -11.968 5.493) 18.801 4.829 ( -13.419 11.968 5.493) 18.801 5.056 ( -0.399 -11.303 11.745) 16.305 5.056 ( -0.399 11.303 11.745) 16.305 5.255 ( -8.496 -7.669 6.012) 12.928 5.255 ( -8.496 7.669 6.012) 12.928 5.760 ( 9.601 -11.023 6.383) 15.951 5.760 ( 9.601 11.023 6.383) 15.951 6.002 ( 4.061 -8.004 2.577) 9.338 6.002 ( 4.061 8.004 2.577) 9.338 6.355 ( -6.972 -4.980 3.967) 9.441 6.355 ( -6.972 4.980 3.967) 9.441 6.452 ( -2.536 -4.387 6.397) 8.161 6.452 ( -2.536 4.387 6.397) 8.161 7.098 ( -0.663 -2.643 -1.738) 3.232 7.098 ( -0.663 2.643 -1.738) 3.232 7.346 ( -8.417 -2.819 -6.874) 11.227 7.346 ( -8.417 2.819 -6.874) 11.227 7.675 ( 9.310 -8.572 -0.779) 12.679 7.675 ( 9.310 8.572 -0.779) 12.679 7.849 ( 0.147 -5.091 -0.845) 5.163 7.849 ( 0.147 5.091 -0.845) 5.163 8.310 ( 10.337 -1.878 -7.320) 12.804 8.310 ( 10.337 1.878 -7.320) 12.804 8.734 ( 0.307 -7.850 0.458) 7.870 8.734 ( 0.307 7.850 0.458) 7.870 8.797 ( -2.929 -5.819 -4.273) 7.791 8.797 ( -2.929 5.819 -4.273) 7.791 9.078 ( -5.972 -1.533 -0.344) 6.175 9.078 ( -5.972 1.533 -0.344) 6.175 9.262 ( 5.543 -7.246 -9.064) 12.860 9.262 ( 5.543 7.246 -9.064) 12.860 9.611 ( -8.224 -6.348 -1.233) 10.461 9.611 ( -8.224 6.348 -1.233) 10.461 10.110 ( 6.955 -10.800 -1.081) 12.891 10.110 ( 6.955 10.800 -1.081) 12.891 10.322 ( 0.522 -6.985 -6.873) 9.814 10.322 ( 0.522 6.985 -6.873) 9.814 10.582 ( -3.072 -4.703 -10.302) 11.734 10.582 ( -3.072 4.703 -10.302) 11.734 10.828 ( -8.242 -8.535 -3.146) 12.275 10.828 ( -8.242 8.535 -3.146) 12.275 11.121 ( 6.156 -12.248 -3.951) 14.266 11.121 ( 6.156 12.248 -3.951) 14.266 11.360 ( -7.222 -7.755 -3.347) 11.113 11.360 ( -7.222 7.755 -3.347) 11.113 12.005 ( 8.867 -7.148 -2.145) 11.589 12.005 ( 8.867 7.148 -2.145) 11.589 12.127 ( 2.201 -3.972 -5.782) 7.352 12.127 ( 2.201 3.972 -5.782) 7.352 13.545 ( 2.214 -2.508 -0.341) 3.363 13.545 ( 2.214 2.508 -0.341) 3.363 13.733 ( -5.168 -3.184 -0.705) 6.110 13.733 ( -5.168 3.184 -0.705) 6.110 14.394 ( 6.835 -8.881 -0.125) 11.207 14.394 ( 6.835 8.881 -0.125) 11.207 14.747 ( -2.971 -15.151 8.184) 17.474 14.747 ( -2.971 15.151 8.184) 17.474 14.867 ( -1.349 -8.331 15.800) 17.913 14.867 ( -1.349 8.331 15.800) 17.913 15.139 ( -8.341 -6.550 8.386) 13.521 15.139 ( -8.341 6.550 8.386) 13.521 15.606 ( 7.308 -8.971 0.503) 11.581 15.606 ( 7.308 8.971 0.503) 11.581 15.899 ( -3.413 -7.424 5.759) 9.996 15.899 ( -3.413 7.424 5.759) 9.996 16.366 ( 1.255 -13.595 8.982) 16.342 16.366 ( 1.255 13.595 8.982) 16.342 16.487 ( -7.421 -4.643 5.878) 10.544 16.487 ( -7.421 4.643 5.878) 10.544 16.711 ( 10.558 -4.455 9.004) 14.574 16.711 ( 10.558 4.455 9.004) 14.574 16.915 ( -3.509 -2.994 0.210) 4.617 16.915 ( -3.509 2.994 0.210) 4.617 17.501 ( 4.751 -4.619 -1.712) 6.844 17.501 ( 4.751 4.619 -1.712) 6.844 17.747 ( -5.875 -6.190 -3.052) 9.063 17.747 ( -5.875 6.190 -3.052) 9.063 18.659 ( 10.205 -5.373 -12.191) 16.782 18.659 ( 10.205 5.373 -12.191) 16.782 18.926 ( -4.914 -1.685 -4.452) 6.842 18.926 ( -4.914 1.685 -4.452) 6.842 19.328 ( 7.407 -0.957 -1.238) 7.571 19.328 ( 7.407 0.957 -1.238) 7.571 19.720 ( -12.371 -2.380 -2.287) 12.804 19.720 ( -12.371 2.380 -2.287) 12.804 21.217 ( 6.287 -0.696 -0.305) 6.333 21.217 ( 6.287 0.696 -0.305) 6.333 21.366 ( -1.887 -1.392 0.059) 2.345 21.366 ( -1.887 1.392 0.059) 2.345 23.092 ( 14.042 -17.224 -29.081) 36.600 23.092 ( 14.042 17.224 -29.081) 36.600 23.730 ( -17.720 -16.931 -22.312) 33.143 23.730 ( -17.720 16.931 -22.312) 33.143 25.324 ( 3.123 -0.965 5.404) 6.316 25.324 ( 3.123 0.965 5.404) 6.316 25.367 ( 1.044 -2.833 1.176) 3.240 25.367 ( 1.044 2.833 1.176) 3.240 25.547 ( 3.043 -6.964 6.504) 10.003 25.547 ( 3.043 6.964 6.504) 10.003 25.755 ( -5.675 -7.085 5.357) 10.540 25.755 ( -5.675 7.085 5.357) 10.540 ======================= Grid point 125 (48/96) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.677 ( -12.313 -12.043 16.262) 23.687 3.677 ( 2.182 -10.407 16.262) 19.430 3.677 ( -2.182 10.407 16.262) 19.430 3.677 ( 12.313 12.043 16.262) 23.687 4.441 ( -21.798 -9.090 4.570) 24.056 4.441 ( -14.676 4.204 4.570) 15.936 4.441 ( 14.676 -4.204 4.570) 15.936 4.441 ( 21.798 9.090 4.570) 24.056 5.131 ( -4.489 -12.402 9.959) 16.527 5.131 ( 3.168 -12.300 9.959) 16.140 5.131 ( -3.168 12.300 9.959) 16.140 5.131 ( 4.489 12.402 9.959) 16.527 5.959 ( -9.663 -6.349 4.395) 12.369 5.959 ( 8.233 -5.824 4.395) 11.001 5.959 ( -8.233 5.824 4.395) 11.001 5.959 ( 9.663 6.349 4.395) 12.369 6.344 ( -6.826 -3.352 7.973) 11.018 6.344 ( -2.341 -0.977 7.973) 8.367 6.344 ( 2.341 0.977 7.973) 8.367 6.344 ( 6.826 3.352 7.973) 11.018 7.180 ( -8.101 -3.845 -5.305) 10.419 7.180 ( -2.773 -0.543 -5.305) 6.011 7.180 ( 2.773 0.543 -5.305) 6.011 7.180 ( 8.101 3.845 -5.305) 10.419 7.808 ( -4.233 -7.666 -0.385) 8.766 7.808 ( 3.074 -7.527 -0.385) 8.140 7.808 ( -3.074 7.527 -0.385) 8.140 7.808 ( 4.233 7.666 -0.385) 8.766 8.537 ( -13.377 -1.073 -4.612) 14.190 8.537 ( -13.373 1.061 -4.612) 14.186 8.537 ( 13.373 -1.061 -4.612) 14.186 8.537 ( 13.377 1.073 -4.612) 14.190 8.923 ( -8.975 -3.270 -1.029) 9.607 8.923 ( -6.150 0.115 -1.029) 6.237 8.923 ( 6.150 -0.115 -1.029) 6.237 8.923 ( 8.975 3.270 -1.029) 9.607 9.431 ( -10.607 -7.151 -5.311) 13.852 9.431 ( 6.642 -5.834 -5.311) 10.313 9.431 ( -6.642 5.834 -5.311) 10.313 9.431 ( 10.607 7.151 -5.311) 13.852 10.247 ( -6.189 -7.602 -3.765) 10.501 10.247 ( 3.299 -7.137 -3.765) 8.717 10.247 ( -3.299 7.137 -3.765) 8.717 10.247 ( 6.189 7.602 -3.765) 10.501 10.658 ( -7.208 -4.966 -8.530) 12.222 10.658 ( -3.191 -3.771 -8.530) 9.858 10.658 ( 3.191 3.771 -8.530) 9.858 10.658 ( 7.208 4.966 -8.530) 12.222 11.238 ( -4.770 -15.880 -2.678) 16.796 11.238 ( 3.389 -15.791 -2.678) 16.371 11.238 ( -3.389 15.791 -2.678) 16.371 11.238 ( 4.770 15.880 -2.678) 16.796 12.117 ( -3.340 -4.874 -4.227) 7.264 12.117 ( 2.732 -4.778 -4.227) 6.940 12.117 ( -2.732 4.778 -4.227) 6.940 12.117 ( 3.340 4.874 -4.227) 7.264 13.629 ( -3.660 -7.863 0.312) 8.679 13.629 ( 0.070 -7.647 0.312) 7.654 13.629 ( -0.070 7.647 0.312) 7.654 13.629 ( 3.660 7.863 0.312) 8.679 14.548 ( -10.467 -5.438 3.748) 12.376 14.548 ( -2.103 -1.814 3.748) 4.664 14.548 ( 2.103 1.814 3.748) 4.664 14.548 ( 10.467 5.438 3.748) 12.376 14.994 ( -5.648 -13.092 12.734) 19.117 14.994 ( 2.197 -12.831 12.734) 18.210 14.994 ( -2.197 12.831 12.734) 18.210 14.994 ( 5.648 13.092 12.734) 19.117 15.774 ( -6.603 -19.096 1.867) 20.292 15.774 ( 3.096 -18.872 1.867) 19.216 15.774 ( -3.096 18.872 1.867) 19.216 15.774 ( 6.603 19.096 1.867) 20.292 16.393 ( -2.650 -10.733 7.173) 13.179 16.393 ( 2.599 -10.730 7.173) 13.166 16.393 ( -2.599 10.730 7.173) 13.166 16.393 ( 2.650 10.733 7.173) 13.179 16.848 ( -3.977 -2.656 5.753) 7.481 16.848 ( -1.311 -1.880 5.753) 6.192 16.848 ( 1.311 1.880 5.753) 6.192 16.848 ( 3.977 2.656 5.753) 7.481 17.619 ( -6.745 -7.650 -3.400) 10.750 17.619 ( 3.982 -7.149 -3.400) 8.861 17.619 ( -3.982 7.149 -3.400) 8.861 17.619 ( 6.745 7.650 -3.400) 10.750 18.819 ( -4.096 -8.281 -7.776) 12.076 18.819 ( -0.738 -8.033 -7.776) 11.204 18.819 ( 0.738 8.033 -7.776) 11.204 18.819 ( 4.096 8.281 -7.776) 12.076 19.498 ( -9.605 -3.653 -1.710) 10.418 19.498 ( -7.222 -1.821 -1.710) 7.641 19.498 ( 7.222 1.821 -1.710) 7.641 19.498 ( 9.605 3.653 -1.710) 10.418 21.313 ( -3.985 -0.988 -0.048) 4.106 21.313 ( -3.985 0.988 -0.048) 4.106 21.313 ( 3.985 -0.988 -0.048) 4.106 21.313 ( 3.985 0.988 -0.048) 4.106 23.393 ( -16.261 -21.492 -26.053) 37.484 23.393 ( 10.441 -20.568 -26.053) 34.797 23.393 ( -10.441 20.568 -26.053) 34.797 23.393 ( 16.261 21.492 -26.053) 37.484 25.363 ( -0.954 -4.013 2.977) 5.087 25.363 ( 0.710 -4.000 2.977) 5.037 25.363 ( -0.710 4.000 2.977) 5.037 25.363 ( 0.954 4.013 2.977) 5.087 25.640 ( -5.977 -7.500 6.641) 11.665 25.640 ( 4.650 -7.261 6.641) 10.884 25.640 ( -4.650 7.261 6.641) 10.884 25.640 ( 5.977 7.500 6.641) 11.665 ======================= Grid point 147 (49/96) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( 0.000 0.000 44.571) 44.571 2.951 ( 0.000 0.000 41.717) 41.717 4.085 ( 0.000 0.000 43.343) 43.343 4.538 ( 0.000 0.000 4.725) 4.725 4.649 ( 0.000 0.000 2.353) 2.353 4.793 ( 0.000 0.000 8.012) 8.012 5.058 ( 0.000 0.000 12.099) 12.099 5.105 ( 0.000 0.000 -1.213) 1.213 5.124 ( 0.000 0.000 13.183) 13.183 5.285 ( 0.000 0.000 5.735) 5.735 5.440 ( 0.000 0.000 -10.683) 10.683 5.534 ( 0.000 0.000 19.069) 19.069 5.763 ( 0.000 0.000 18.637) 18.637 5.873 ( 0.000 0.000 -2.732) 2.732 5.936 ( 0.000 0.000 1.180) 1.180 6.187 ( 0.000 0.000 3.513) 3.513 6.265 ( 0.000 0.000 6.458) 6.458 6.404 ( 0.000 0.000 -3.693) 3.693 6.651 ( 0.000 0.000 -17.707) 17.707 6.774 ( 0.000 0.000 -9.037) 9.037 6.946 ( 0.000 0.000 -9.567) 9.567 7.060 ( 0.000 0.000 -6.965) 6.965 7.096 ( 0.000 0.000 -6.980) 6.980 7.157 ( 0.000 0.000 0.856) 0.856 7.286 ( 0.000 0.000 7.106) 7.106 7.439 ( 0.000 0.000 0.641) 0.641 7.518 ( 0.000 0.000 7.446) 7.446 7.821 ( 0.000 0.000 6.334) 6.334 7.976 ( 0.000 0.000 -13.086) 13.086 8.120 ( 0.000 0.000 -3.506) 3.506 8.438 ( 0.000 0.000 -5.492) 5.492 8.494 ( 0.000 0.000 4.870) 4.870 8.573 ( 0.000 0.000 -13.418) 13.418 8.667 ( 0.000 0.000 -6.935) 6.935 8.888 ( 0.000 0.000 -8.647) 8.647 8.973 ( 0.000 0.000 -18.758) 18.758 9.364 ( 0.000 0.000 17.534) 17.534 9.365 ( 0.000 0.000 -3.496) 3.496 9.422 ( 0.000 0.000 5.019) 5.019 9.455 ( 0.000 0.000 -20.901) 20.901 9.700 ( 0.000 0.000 -1.027) 1.027 9.880 ( 0.000 0.000 -12.615) 12.615 10.107 ( 0.000 0.000 2.606) 2.606 10.219 ( 0.000 0.000 -9.040) 9.040 10.536 ( 0.000 0.000 5.716) 5.716 10.668 ( 0.000 0.000 -4.698) 4.698 11.009 ( 0.000 0.000 1.709) 1.709 11.039 ( 0.000 0.000 -20.308) 20.308 11.276 ( 0.000 0.000 -21.574) 21.574 11.319 ( 0.000 0.000 -3.080) 3.080 12.101 ( 0.000 0.000 4.867) 4.867 12.122 ( 0.000 0.000 -3.335) 3.335 12.156 ( 0.000 0.000 6.522) 6.522 12.221 ( 0.000 0.000 10.247) 10.247 12.610 ( 0.000 0.000 5.903) 5.903 12.618 ( 0.000 0.000 -5.938) 5.938 12.821 ( 0.000 0.000 5.965) 5.965 13.331 ( 0.000 0.000 5.333) 5.333 13.487 ( 0.000 0.000 15.602) 15.602 13.624 ( 0.000 0.000 -11.327) 11.327 13.976 ( 0.000 0.000 -14.758) 14.758 14.073 ( 0.000 0.000 -11.097) 11.097 14.348 ( 0.000 0.000 -8.602) 8.602 14.422 ( 0.000 0.000 9.081) 9.081 14.896 ( 0.000 0.000 13.842) 13.842 15.081 ( 0.000 0.000 15.292) 15.292 15.211 ( 0.000 0.000 0.370) 0.370 15.563 ( 0.000 0.000 6.484) 6.484 15.714 ( 0.000 0.000 -6.043) 6.043 15.862 ( 0.000 0.000 18.932) 18.932 15.913 ( 0.000 0.000 3.002) 3.002 16.221 ( 0.000 0.000 19.585) 19.585 16.379 ( 0.000 0.000 -3.474) 3.474 16.655 ( 0.000 0.000 6.732) 6.732 16.695 ( 0.000 0.000 2.923) 2.923 16.874 ( 0.000 0.000 -5.856) 5.856 16.999 ( 0.000 0.000 0.915) 0.915 17.029 ( 0.000 0.000 19.400) 19.400 17.130 ( 0.000 0.000 -9.952) 9.952 17.178 ( 0.000 0.000 11.882) 11.882 17.261 ( 0.000 0.000 -2.402) 2.402 17.341 ( 0.000 0.000 6.658) 6.658 17.406 ( 0.000 0.000 -5.747) 5.747 17.856 ( 0.000 0.000 2.757) 2.757 17.875 ( 0.000 0.000 8.372) 8.372 18.555 ( 0.000 0.000 -9.598) 9.598 18.651 ( 0.000 0.000 -11.181) 11.181 18.822 ( 0.000 0.000 -0.936) 0.936 19.108 ( 0.000 0.000 1.577) 1.577 19.355 ( 0.000 0.000 5.446) 5.446 19.862 ( 0.000 0.000 -15.037) 15.037 20.082 ( 0.000 0.000 -6.748) 6.748 21.016 ( 0.000 0.000 -0.555) 0.555 21.032 ( 0.000 0.000 -1.815) 1.815 21.275 ( 0.000 0.000 -1.043) 1.043 21.421 ( 0.000 0.000 -3.084) 3.084 21.630 ( 0.000 0.000 -20.212) 20.212 22.363 ( 0.000 0.000 -27.451) 27.451 24.000 ( 0.000 0.000 -3.240) 3.240 24.381 ( 0.000 0.000 -12.907) 12.907 24.981 ( 0.000 0.000 -0.301) 0.301 25.196 ( 0.000 0.000 -4.346) 4.346 25.229 ( 0.000 0.000 7.083) 7.083 25.411 ( 0.000 0.000 8.121) 8.121 25.489 ( 0.000 0.000 2.450) 2.450 25.727 ( 0.000 0.000 1.767) 1.767 25.793 ( 0.000 0.000 2.147) 2.147 26.170 ( 0.000 0.000 -7.932) 7.932 ======================= Grid point 148 (50/96) ======================= q-point: ( 0.17 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( 0.966 0.000 42.361) 42.372 3.027 ( 8.038 0.000 38.771) 39.596 4.192 ( 2.154 0.000 29.115) 29.194 4.324 ( -18.830 0.000 7.085) 20.119 4.546 ( -2.615 0.000 17.710) 17.902 4.831 ( 3.031 0.000 6.332) 7.020 5.075 ( -1.306 0.000 7.678) 7.789 5.116 ( 2.479 0.000 18.097) 18.266 5.164 ( 4.555 0.000 1.993) 4.972 5.341 ( -8.701 0.000 -11.109) 14.111 5.439 ( 10.487 0.000 -2.351) 10.747 5.551 ( 2.472 0.000 17.718) 17.889 5.791 ( 3.125 0.000 16.240) 16.538 5.867 ( -1.199 0.000 -1.566) 1.973 5.945 ( 2.636 0.000 4.458) 5.179 6.160 ( -2.991 0.000 1.043) 3.168 6.340 ( 8.394 0.000 5.407) 9.985 6.373 ( -1.956 0.000 -6.308) 6.605 6.647 ( -2.972 0.000 -12.837) 13.177 6.741 ( -2.395 0.000 -7.171) 7.561 6.845 ( -7.578 0.000 -4.374) 8.750 6.911 ( -7.968 0.000 -0.680) 7.997 6.936 ( -12.912 0.000 7.979) 15.178 7.231 ( 6.147 0.000 -14.125) 15.405 7.528 ( 10.451 0.000 2.573) 10.763 7.539 ( 7.918 0.000 3.004) 8.469 7.671 ( 17.162 0.000 3.612) 17.538 7.846 ( 3.784 0.000 3.501) 5.155 8.049 ( 7.440 0.000 -9.671) 12.201 8.130 ( 0.854 0.000 -3.866) 3.959 8.473 ( 0.401 0.000 -6.923) 6.935 8.516 ( 2.281 0.000 3.352) 4.054 8.565 ( -0.130 0.000 -11.998) 11.998 8.666 ( -0.292 0.000 -7.189) 7.195 8.844 ( -13.366 0.000 -3.336) 13.776 8.904 ( 1.248 0.000 -7.769) 7.869 9.107 ( -4.075 0.000 -4.831) 6.320 9.189 ( -10.572 0.000 -5.746) 12.032 9.577 ( 5.719 0.000 -13.720) 14.864 9.691 ( -1.459 0.000 -0.189) 1.471 9.775 ( 15.262 0.000 4.005) 15.779 9.902 ( 2.755 0.000 -12.304) 12.609 10.004 ( -10.722 0.000 5.071) 11.861 10.176 ( -4.605 0.000 -6.900) 8.296 10.450 ( -7.792 0.000 2.011) 8.047 10.645 ( -1.910 0.000 -7.735) 7.967 10.875 ( -8.891 0.000 -18.331) 20.373 11.123 ( -6.287 0.000 -14.860) 16.136 11.149 ( 8.800 0.000 3.327) 9.408 11.443 ( 2.375 0.000 -10.041) 10.318 11.852 ( -13.376 0.000 6.870) 15.037 12.041 ( -10.902 0.000 7.086) 13.003 12.183 ( 1.236 0.000 5.108) 5.255 12.344 ( 8.569 0.000 -12.658) 15.286 12.682 ( 6.969 0.000 -0.055) 6.970 12.830 ( 13.972 0.000 11.484) 18.086 12.871 ( 7.818 0.000 2.294) 8.147 13.340 ( -5.736 0.000 10.002) 11.530 13.448 ( -12.994 0.000 -10.807) 16.901 13.459 ( 4.356 0.000 12.089) 12.850 14.075 ( 6.722 0.000 -7.329) 9.944 14.093 ( 4.771 0.000 -9.748) 10.852 14.419 ( 2.531 0.000 -7.764) 8.166 14.561 ( 12.783 0.000 6.754) 14.457 14.821 ( -6.389 0.000 12.253) 13.819 15.060 ( -0.470 0.000 16.458) 16.465 15.096 ( -13.387 0.000 6.645) 14.945 15.455 ( -9.003 0.000 0.945) 9.052 15.745 ( -6.086 0.000 3.356) 6.950 15.762 ( 5.593 0.000 -3.779) 6.750 16.015 ( 11.544 0.000 17.935) 21.329 16.248 ( -7.756 0.000 -5.793) 9.681 16.513 ( 18.190 0.000 12.930) 22.317 16.597 ( -6.907 0.000 1.749) 7.125 16.776 ( -1.991 0.000 5.563) 5.908 16.786 ( -11.999 0.000 9.278) 15.168 16.810 ( -3.221 0.000 -1.977) 3.779 17.013 ( 0.834 0.000 4.217) 4.299 17.145 ( -11.313 0.000 -5.999) 12.805 17.172 ( 4.804 0.000 12.297) 13.202 17.262 ( 6.196 0.000 -1.036) 6.282 17.400 ( -3.741 0.000 4.172) 5.603 17.436 ( 6.798 0.000 4.776) 8.308 17.768 ( -5.919 0.000 -0.652) 5.955 17.959 ( 8.914 0.000 4.101) 9.812 18.619 ( -3.371 0.000 -11.229) 11.724 18.717 ( 10.279 0.000 -7.798) 12.902 18.912 ( 12.042 0.000 -3.499) 12.540 19.089 ( -1.775 0.000 2.505) 3.070 19.316 ( -3.339 0.000 3.241) 4.654 19.765 ( -9.630 0.000 -13.284) 16.407 20.030 ( -5.629 0.000 -6.610) 8.681 21.084 ( 6.432 0.000 -1.619) 6.632 21.130 ( 9.597 0.000 0.018) 9.597 21.282 ( 0.754 0.000 -1.167) 1.389 21.408 ( -1.346 0.000 -2.914) 3.210 21.634 ( 0.963 0.000 -21.341) 21.363 22.348 ( -2.438 0.000 -26.205) 26.318 23.912 ( -7.182 0.000 -4.367) 8.405 24.315 ( -7.151 0.000 -14.133) 15.839 24.993 ( 1.293 0.000 -0.609) 1.429 25.180 ( -1.754 0.000 -4.110) 4.469 25.270 ( 4.005 0.000 7.636) 8.622 25.434 ( 1.946 0.000 8.095) 8.326 25.505 ( 1.788 0.000 1.973) 2.663 25.704 ( -2.376 0.000 1.499) 2.809 25.824 ( 3.250 0.000 2.217) 3.934 26.159 ( -1.372 0.000 -6.259) 6.407 ======================= Grid point 149 (51/96) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.057 ( 14.315 0.000 34.181) 37.058 3.240 ( 14.701 0.000 31.215) 34.503 3.916 ( -24.863 0.000 17.505) 30.407 3.940 ( -21.431 0.000 13.251) 25.197 4.735 ( 14.987 0.000 23.564) 27.926 4.901 ( 4.516 0.000 5.816) 7.363 5.050 ( -2.048 0.000 9.498) 9.716 5.119 ( -5.197 0.000 7.527) 9.147 5.177 ( -0.712 0.000 4.481) 4.537 5.245 ( -0.886 0.000 -0.881) 1.250 5.548 ( 3.310 0.000 9.157) 9.737 5.647 ( 4.137 0.000 1.768) 4.499 5.834 ( -0.286 0.000 0.695) 0.751 5.896 ( 9.244 0.000 5.325) 10.668 6.068 ( -6.879 0.000 -2.437) 7.298 6.086 ( 11.356 0.000 14.043) 18.060 6.348 ( -1.710 0.000 -5.160) 5.436 6.536 ( -5.996 0.000 -11.833) 13.265 6.558 ( 12.185 0.000 -1.182) 12.242 6.633 ( -10.646 0.000 -0.158) 10.647 6.742 ( -8.179 0.000 9.204) 12.313 6.767 ( -1.701 0.000 -2.754) 3.237 6.800 ( -0.374 0.000 8.610) 8.618 7.242 ( -6.349 0.000 -9.193) 11.173 7.698 ( 9.573 0.000 -0.351) 9.579 7.705 ( 10.782 0.000 3.039) 11.202 7.912 ( 7.754 0.000 3.993) 8.722 7.989 ( 7.468 0.000 -1.751) 7.671 8.064 ( -5.059 0.000 0.298) 5.068 8.263 ( -18.160 0.000 0.946) 18.184 8.313 ( 16.713 0.000 -8.878) 18.924 8.567 ( 2.678 0.000 -0.373) 2.704 8.622 ( 3.583 0.000 -12.230) 12.744 8.662 ( 0.566 0.000 -7.045) 7.068 8.717 ( -1.623 0.000 -9.342) 9.482 8.891 ( -4.868 0.000 -6.543) 8.155 9.081 ( 1.571 0.000 1.810) 2.397 9.180 ( 11.362 0.000 -10.333) 15.358 9.555 ( -13.257 0.000 -3.390) 13.684 9.649 ( 0.696 0.000 -0.395) 0.800 9.798 ( -11.185 0.000 -11.221) 15.844 9.808 ( -7.854 0.000 2.055) 8.119 10.012 ( 4.552 0.000 -11.791) 12.640 10.090 ( -2.209 0.000 -8.557) 8.838 10.344 ( 0.154 0.000 -5.712) 5.714 10.604 ( -3.781 0.000 -12.683) 13.234 10.821 ( 5.016 0.000 -3.839) 6.317 11.076 ( 1.097 0.000 -12.857) 12.904 11.241 ( -4.926 0.000 2.697) 5.616 11.349 ( -10.716 0.000 -7.362) 13.001 11.740 ( 6.937 0.000 7.230) 10.020 11.951 ( 1.011 0.000 -0.238) 1.039 12.149 ( -5.228 0.000 -0.021) 5.228 12.332 ( -10.141 0.000 -12.517) 16.109 12.862 ( 10.751 0.000 3.438) 11.287 12.935 ( 5.301 0.000 1.382) 5.478 13.177 ( -8.465 0.000 9.040) 12.384 13.192 ( 4.529 0.000 1.869) 4.900 13.275 ( 9.336 0.000 6.888) 11.602 13.645 ( 13.657 0.000 9.341) 16.546 14.103 ( -9.649 0.000 9.135) 13.287 14.275 ( 0.015 0.000 -1.798) 1.798 14.287 ( -1.351 0.000 -1.233) 1.829 14.721 ( 4.007 0.000 1.011) 4.132 14.756 ( -3.782 0.000 4.698) 6.031 14.952 ( 2.669 0.000 2.410) 3.596 15.080 ( 3.333 0.000 7.681) 8.373 15.301 ( -6.921 0.000 1.405) 7.062 15.683 ( -0.750 0.000 5.269) 5.322 15.882 ( 7.041 0.000 -3.603) 7.910 16.129 ( -9.751 0.000 -3.282) 10.288 16.165 ( 0.400 0.000 7.921) 7.931 16.466 ( -2.141 0.000 0.120) 2.144 16.504 ( -5.441 0.000 8.185) 9.828 16.715 ( -4.936 0.000 4.056) 6.389 16.742 ( -7.452 0.000 -0.192) 7.454 16.855 ( 13.675 0.000 7.705) 15.696 16.974 ( -1.325 0.000 7.300) 7.420 17.104 ( 3.287 0.000 1.413) 3.578 17.247 ( -9.192 0.000 13.102) 16.005 17.256 ( 5.495 0.000 15.736) 16.667 17.436 ( 8.188 0.000 -7.673) 11.222 17.468 ( -2.537 0.000 9.695) 10.021 17.676 ( -4.658 0.000 -4.918) 6.774 18.167 ( 12.109 0.000 -4.088) 12.781 18.529 ( -6.491 0.000 -10.696) 12.512 18.843 ( 5.359 0.000 -3.594) 6.452 19.023 ( -3.669 0.000 -2.821) 4.628 19.257 ( 20.038 0.000 -2.881) 20.244 19.277 ( 0.309 0.000 -1.536) 1.567 19.549 ( -12.364 0.000 -10.127) 15.982 19.872 ( -11.464 0.000 -6.187) 13.027 21.214 ( 6.831 0.000 -2.394) 7.238 21.303 ( 1.488 0.000 -1.499) 2.112 21.303 ( 5.968 0.000 2.403) 6.434 21.375 ( -2.076 0.000 -2.487) 3.240 21.712 ( 9.367 0.000 -22.945) 24.783 22.234 ( -10.563 0.000 -22.202) 24.587 23.831 ( 0.181 0.000 -9.327) 9.329 24.133 ( -11.526 0.000 -15.388) 19.226 25.028 ( 2.404 0.000 -1.422) 2.793 25.135 ( -2.866 0.000 -3.440) 4.478 25.355 ( 4.704 0.000 8.182) 9.438 25.458 ( 0.111 0.000 8.089) 8.090 25.551 ( 2.858 0.000 1.427) 3.194 25.651 ( -2.989 0.000 1.243) 3.238 25.906 ( 5.448 0.000 1.770) 5.728 26.110 ( -4.059 0.000 -2.801) 4.932 ======================= Grid point 150 (52/96) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.434 ( -24.987 0.000 24.263) 34.829 3.434 ( 24.987 0.000 24.263) 34.829 3.558 ( -19.318 0.000 21.856) 29.169 3.558 ( 19.318 0.000 21.856) 29.169 4.968 ( -9.992 0.000 10.800) 14.713 4.968 ( 9.992 0.000 10.800) 14.713 4.988 ( -4.439 0.000 7.380) 8.612 4.988 ( 4.439 0.000 7.380) 8.612 5.208 ( -2.642 0.000 5.215) 5.846 5.208 ( 2.642 0.000 5.215) 5.846 5.620 ( -4.374 0.000 7.008) 8.261 5.620 ( 4.374 0.000 7.008) 8.261 5.924 ( -7.939 0.000 -2.661) 8.373 5.924 ( 7.939 0.000 -2.661) 8.373 6.116 ( -11.625 0.000 1.248) 11.691 6.116 ( 11.625 0.000 1.248) 11.691 6.402 ( -10.870 0.000 4.387) 11.722 6.402 ( 10.870 0.000 4.387) 11.722 6.578 ( -7.582 0.000 1.994) 7.840 6.578 ( 7.582 0.000 1.994) 7.840 6.689 ( -4.429 0.000 -1.945) 4.837 6.689 ( 4.429 0.000 -1.945) 4.837 7.016 ( -16.101 0.000 2.636) 16.315 7.016 ( 16.101 0.000 2.636) 16.315 7.891 ( -10.556 0.000 -3.603) 11.153 7.891 ( 10.556 0.000 -3.603) 11.153 7.946 ( -15.236 0.000 1.357) 15.296 7.946 ( 15.236 0.000 1.357) 15.296 8.029 ( -3.771 0.000 3.170) 4.926 8.029 ( 3.771 0.000 3.170) 4.926 8.566 ( -6.014 0.000 -7.208) 9.387 8.566 ( 6.014 0.000 -7.208) 9.387 8.679 ( -2.767 0.000 -12.146) 12.457 8.679 ( 2.767 0.000 -12.146) 12.457 8.729 ( -8.791 0.000 -0.644) 8.815 8.729 ( 8.791 0.000 -0.644) 8.815 9.257 ( -15.414 0.000 -0.486) 15.422 9.257 ( 15.414 0.000 -0.486) 15.422 9.484 ( -19.302 0.000 -11.056) 22.244 9.484 ( 19.302 0.000 -11.056) 22.244 9.690 ( -4.420 0.000 1.006) 4.533 9.690 ( 4.420 0.000 1.006) 4.533 10.064 ( -1.909 0.000 -14.442) 14.568 10.064 ( 1.909 0.000 -14.442) 14.568 10.469 ( -9.925 0.000 -12.108) 15.656 10.469 ( 9.925 0.000 -12.108) 15.656 11.020 ( -14.190 0.000 4.300) 14.827 11.020 ( 14.190 0.000 4.300) 14.827 11.159 ( -7.871 0.000 -9.336) 12.211 11.159 ( 7.871 0.000 -9.336) 12.211 12.029 ( -6.388 0.000 -3.112) 7.106 12.029 ( 6.388 0.000 -3.112) 7.106 12.034 ( -19.423 0.000 -1.097) 19.454 12.034 ( 19.423 0.000 -1.097) 19.454 13.035 ( -7.864 0.000 3.791) 8.730 13.035 ( 7.864 0.000 3.791) 8.730 13.058 ( -7.844 0.000 -1.517) 7.990 13.058 ( 7.844 0.000 -1.517) 7.990 13.721 ( -26.222 0.000 17.317) 31.424 13.721 ( 26.222 0.000 17.317) 31.424 13.946 ( -18.342 0.000 7.977) 20.002 13.946 ( 18.342 0.000 7.977) 20.002 14.572 ( -14.909 0.000 -1.779) 15.015 14.572 ( 14.909 0.000 -1.779) 15.015 14.891 ( -10.525 0.000 -3.429) 11.070 14.891 ( 10.525 0.000 -3.429) 11.070 15.184 ( -6.455 0.000 3.680) 7.430 15.184 ( 6.455 0.000 3.680) 7.430 15.836 ( -16.541 0.000 7.019) 17.968 15.836 ( 16.541 0.000 7.019) 17.968 16.033 ( -9.514 0.000 -3.547) 10.154 16.033 ( 9.514 0.000 -3.547) 10.154 16.567 ( -9.373 0.000 3.520) 10.012 16.567 ( 9.373 0.000 3.520) 10.012 16.581 ( -8.473 0.000 1.835) 8.669 16.581 ( 8.473 0.000 1.835) 8.669 17.060 ( -7.398 0.000 4.849) 8.846 17.060 ( 7.398 0.000 4.849) 8.846 17.069 ( -8.905 0.000 12.978) 15.740 17.069 ( 8.905 0.000 12.978) 15.740 17.378 ( -6.470 0.000 13.326) 14.814 17.378 ( 6.470 0.000 13.326) 14.814 17.575 ( -6.492 0.000 -6.785) 9.391 17.575 ( 6.492 0.000 -6.785) 9.391 18.375 ( -10.043 0.000 -8.917) 13.430 18.375 ( 10.043 0.000 -8.917) 13.430 18.940 ( -5.053 0.000 -2.397) 5.592 18.940 ( 5.053 0.000 -2.397) 5.592 19.353 ( -7.926 0.000 -6.303) 10.127 19.353 ( 7.926 0.000 -6.303) 10.127 19.608 ( -16.986 0.000 -5.375) 17.816 19.608 ( 16.986 0.000 -5.375) 17.816 21.315 ( -3.417 0.000 -1.191) 3.619 21.315 ( 3.417 0.000 -1.191) 3.619 21.336 ( -2.033 0.000 -1.973) 2.832 21.336 ( 2.033 0.000 -1.973) 2.832 21.972 ( -16.281 0.000 -19.974) 25.769 21.972 ( 16.281 0.000 -19.974) 25.769 23.928 ( -9.411 0.000 -14.226) 17.057 23.928 ( 9.411 0.000 -14.226) 17.057 25.079 ( -3.040 0.000 -2.467) 3.915 25.079 ( 3.040 0.000 -2.467) 3.915 25.430 ( -3.051 0.000 8.249) 8.795 25.430 ( 3.051 0.000 8.249) 8.795 25.601 ( -2.496 0.000 1.171) 2.757 25.601 ( 2.496 0.000 1.171) 2.757 26.015 ( -5.903 0.000 0.181) 5.906 26.015 ( 5.903 0.000 0.181) 5.906 ======================= Grid point 154 (53/96) ======================= q-point: ( 0.00 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( 0.000 6.084 41.571) 42.014 3.052 ( 0.000 11.285 42.227) 43.709 4.171 ( 0.000 8.724 30.041) 31.282 4.294 ( 0.000 -16.926 8.385) 18.889 4.623 ( 0.000 -13.182 17.716) 22.082 4.858 ( 0.000 12.704 2.824) 13.014 5.055 ( 0.000 -4.116 -2.422) 4.775 5.093 ( 0.000 2.555 17.932) 18.113 5.197 ( 0.000 4.184 0.023) 4.184 5.419 ( 0.000 -1.739 -7.842) 8.033 5.446 ( 0.000 13.581 9.153) 16.377 5.533 ( 0.000 -1.087 16.331) 16.367 5.733 ( 0.000 -9.886 1.445) 9.991 5.761 ( 0.000 -0.080 16.621) 16.621 5.870 ( 0.000 -3.079 4.669) 5.592 6.279 ( 0.000 1.279 5.099) 5.257 6.302 ( 0.000 7.980 6.498) 10.291 6.565 ( 0.000 -7.467 -13.061) 15.044 6.598 ( 0.000 15.572 -5.398) 16.481 6.695 ( 0.000 -6.096 -7.033) 9.308 6.992 ( 0.000 4.405 -9.373) 10.356 7.072 ( 0.000 1.452 -15.436) 15.504 7.084 ( 0.000 -2.355 -0.613) 2.434 7.138 ( 0.000 -2.253 2.434) 3.317 7.277 ( 0.000 -1.235 4.938) 5.090 7.367 ( 0.000 3.311 3.980) 5.177 7.725 ( 0.000 5.268 -4.210) 6.744 7.859 ( 0.000 2.700 4.827) 5.531 7.947 ( 0.000 2.919 -6.936) 7.525 8.119 ( 0.000 -0.930 -3.254) 3.385 8.146 ( 0.000 -12.104 -14.782) 19.106 8.409 ( 0.000 -3.799 -2.464) 4.528 8.789 ( 0.000 15.666 -8.011) 17.595 8.846 ( 0.000 0.320 -3.503) 3.517 9.001 ( 0.000 2.358 -14.576) 14.765 9.045 ( 0.000 13.559 3.244) 13.941 9.306 ( 0.000 -10.603 -15.597) 18.859 9.320 ( 0.000 1.368 -5.638) 5.801 9.481 ( 0.000 9.046 11.798) 14.867 9.514 ( 0.000 5.268 -0.220) 5.272 9.718 ( 0.000 2.361 0.348) 2.386 9.843 ( 0.000 -3.646 -10.458) 11.076 10.123 ( 0.000 1.629 1.876) 2.485 10.249 ( 0.000 2.514 -8.586) 8.947 10.493 ( 0.000 -1.578 2.030) 2.571 10.518 ( 0.000 -9.306 -8.359) 12.509 11.097 ( 0.000 0.686 -8.769) 8.796 11.097 ( 0.000 2.459 0.783) 2.581 11.266 ( 0.000 1.168 -22.694) 22.724 11.313 ( 0.000 0.056 -13.181) 13.181 11.813 ( 0.000 -19.937 -0.479) 19.943 11.926 ( 0.000 -29.305 13.623) 32.316 12.035 ( 0.000 -9.995 2.701) 10.354 12.149 ( 0.000 -8.606 2.452) 8.949 12.189 ( 0.000 -16.555 0.231) 16.557 12.334 ( 0.000 -21.391 5.426) 22.069 13.112 ( 0.000 14.116 -0.768) 14.137 13.455 ( 0.000 9.162 2.704) 9.553 13.556 ( 0.000 8.229 -5.932) 10.144 13.907 ( 0.000 -8.365 -6.920) 10.856 13.943 ( 0.000 20.719 7.957) 22.194 14.233 ( 0.000 8.192 4.856) 9.523 14.335 ( 0.000 4.149 -6.039) 7.327 14.508 ( 0.000 15.692 -5.542) 16.642 15.058 ( 0.000 10.129 18.368) 20.976 15.102 ( 0.000 -6.810 1.602) 6.996 15.215 ( 0.000 11.583 6.812) 13.437 15.441 ( 0.000 -9.157 5.569) 10.717 15.662 ( 0.000 -2.620 3.738) 4.565 15.903 ( 0.000 -0.943 11.060) 11.100 16.002 ( 0.000 9.409 12.979) 16.031 16.281 ( 0.000 -3.099 2.162) 3.779 16.376 ( 0.000 5.387 4.656) 7.120 16.598 ( 0.000 -7.081 2.324) 7.453 16.661 ( 0.000 -1.907 7.589) 7.825 16.720 ( 0.000 -7.277 0.784) 7.319 16.954 ( 0.000 -5.353 12.420) 13.525 17.025 ( 0.000 -2.535 5.965) 6.481 17.101 ( 0.000 -3.704 -3.380) 5.015 17.134 ( 0.000 -4.201 4.193) 5.936 17.387 ( 0.000 11.370 -1.910) 11.529 17.400 ( 0.000 5.171 3.489) 6.238 17.513 ( 0.000 7.640 -4.926) 9.090 17.793 ( 0.000 -4.619 3.020) 5.519 17.869 ( 0.000 -0.129 2.554) 2.558 18.365 ( 0.000 -11.360 -11.079) 15.868 18.825 ( 0.000 9.656 -8.808) 13.070 18.868 ( 0.000 4.196 -1.274) 4.385 19.128 ( 0.000 1.635 1.539) 2.246 19.311 ( 0.000 -4.141 4.626) 6.209 19.856 ( 0.000 -0.481 -14.223) 14.231 20.045 ( 0.000 -3.562 -6.917) 7.780 21.014 ( 0.000 -0.095 -0.616) 0.623 21.028 ( 0.000 -0.332 -1.621) 1.655 21.287 ( 0.000 1.227 -1.319) 1.802 21.432 ( 0.000 0.218 -1.719) 1.733 21.710 ( 0.000 8.699 -21.263) 22.974 22.410 ( 0.000 3.667 -28.036) 28.274 23.865 ( 0.000 -10.712 -2.990) 11.121 24.282 ( 0.000 -9.399 -13.726) 16.636 25.097 ( 0.000 9.509 -0.865) 9.548 25.223 ( 0.000 2.044 0.531) 2.112 25.265 ( 0.000 3.584 3.125) 4.755 25.412 ( 0.000 -0.209 7.016) 7.019 25.487 ( 0.000 0.213 3.173) 3.180 25.734 ( 0.000 0.878 1.323) 1.588 25.769 ( 0.000 -2.374 2.175) 3.220 26.122 ( 0.000 -4.658 -6.779) 8.226 ======================= Grid point 155 (54/96) ======================= q-point: ( 0.17 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( 1.050 5.816 40.176) 40.608 3.205 ( 10.300 14.596 37.066) 41.146 4.153 ( -5.601 -0.019 17.131) 18.024 4.412 ( 13.613 -8.546 17.227) 23.561 4.553 ( -20.096 9.675 8.063) 23.716 4.650 ( -1.807 -9.614 15.666) 18.469 5.025 ( -0.490 -3.491 8.632) 9.324 5.168 ( 1.364 3.147 13.657) 14.081 5.201 ( -2.609 -0.526 0.359) 2.685 5.362 ( -6.523 1.725 -8.041) 10.497 5.489 ( 2.918 0.649 5.851) 6.570 5.590 ( 8.493 6.373 9.228) 14.068 5.728 ( 0.374 -7.973 3.026) 8.536 5.810 ( 4.728 -1.019 11.203) 12.202 5.905 ( 3.601 -0.219 9.719) 10.367 6.206 ( -3.918 3.083 0.449) 5.006 6.351 ( 1.929 -1.092 11.138) 11.356 6.529 ( -3.038 -0.305 -10.088) 10.540 6.613 ( 0.075 7.672 -7.158) 10.493 6.667 ( -2.936 -0.804 -6.848) 7.494 6.869 ( -9.992 -1.640 3.312) 10.653 6.934 ( -5.759 6.017 -5.533) 10.000 7.007 ( -5.718 5.669 -1.989) 8.294 7.171 ( 5.089 -3.688 -4.149) 7.531 7.512 ( 11.744 -0.937 0.648) 11.799 7.533 ( 9.496 -1.111 -0.666) 9.584 7.765 ( 6.038 1.236 -2.151) 6.528 7.894 ( 5.825 3.389 4.732) 8.235 7.999 ( 6.208 3.329 -7.837) 10.537 8.128 ( 1.485 -1.072 -4.873) 5.206 8.251 ( 8.848 -10.490 -12.528) 18.582 8.448 ( 3.495 -0.957 -2.948) 4.671 8.768 ( -2.050 12.012 -7.016) 14.061 8.793 ( -5.686 0.982 -4.116) 7.087 8.971 ( -1.193 5.359 -8.066) 9.757 9.041 ( -9.532 18.504 -3.915) 21.180 9.086 ( -5.509 -3.435 -1.115) 6.587 9.185 ( -7.460 0.336 -3.489) 8.243 9.511 ( 4.229 -2.140 -8.512) 9.742 9.708 ( 0.787 2.180 0.249) 2.331 9.824 ( 5.550 -3.323 -3.957) 7.583 9.889 ( 9.227 5.823 -5.655) 12.289 9.996 ( -9.106 -1.423 4.156) 10.111 10.219 ( -2.707 3.936 -8.572) 9.813 10.437 ( -4.959 -0.009 0.082) 4.960 10.559 ( 3.024 -6.052 -9.102) 11.341 10.925 ( -7.908 -9.510 -1.168) 12.423 10.991 ( -12.557 8.250 -18.836) 24.095 11.252 ( -2.375 -2.207 -15.015) 15.361 11.447 ( 2.205 -1.848 -8.571) 9.041 11.672 ( -2.003 -13.071 7.005) 14.964 11.825 ( -13.780 -17.841 6.443) 23.446 12.055 ( 4.070 -25.836 1.500) 26.197 12.135 ( 1.262 -12.581 4.128) 13.301 12.257 ( 12.860 -12.315 -4.023) 18.254 12.643 ( 14.701 -18.684 7.121) 24.818 13.097 ( -0.807 9.200 -3.884) 10.019 13.420 ( -5.588 6.753 -2.134) 9.021 13.523 ( 3.648 12.277 2.616) 13.072 13.863 ( -6.717 22.638 10.399) 25.802 14.035 ( 8.503 -0.558 -4.376) 9.579 14.243 ( 4.288 7.949 2.871) 9.478 14.376 ( 3.226 -2.347 0.265) 3.998 14.627 ( 7.511 14.744 -7.817) 18.301 14.998 ( -8.916 -4.778 7.214) 12.424 15.022 ( -5.423 12.180 9.700) 16.488 15.190 ( 1.032 11.402 14.804) 18.714 15.495 ( 4.420 -5.742 2.342) 7.615 15.634 ( -4.694 -8.756 6.340) 11.786 15.761 ( -11.013 8.445 -3.097) 14.220 15.994 ( 1.860 -3.163 12.109) 12.653 16.281 ( -1.238 3.090 1.475) 3.641 16.423 ( -0.259 -8.398 7.373) 11.178 16.645 ( 7.181 6.537 10.774) 14.504 16.677 ( 2.672 -11.483 1.421) 11.875 16.789 ( -1.930 -2.191 -0.934) 3.065 16.832 ( -7.137 0.329 -0.507) 7.162 16.965 ( -4.000 -2.250 8.767) 9.896 17.051 ( 2.821 -6.981 13.270) 15.257 17.252 ( -0.068 0.792 2.062) 2.210 17.313 ( -1.147 6.934 -0.602) 7.053 17.407 ( 0.898 2.325 -0.746) 2.602 17.501 ( -2.373 4.965 3.342) 6.438 17.788 ( -4.286 1.789 -1.131) 4.780 17.927 ( 11.191 -1.266 -0.433) 11.271 18.488 ( 7.355 -9.132 -11.038) 16.104 18.796 ( -0.045 4.652 -6.000) 7.593 18.968 ( 8.256 4.090 -6.449) 11.246 19.101 ( -1.651 1.138 3.695) 4.204 19.294 ( -1.327 -1.853 2.597) 3.455 19.763 ( -9.229 -0.181 -12.513) 15.549 19.990 ( -5.906 -3.893 -6.610) 9.682 21.081 ( 6.265 -0.274 -1.417) 6.429 21.112 ( 8.008 -1.301 -0.695) 8.143 21.293 ( 0.541 1.058 -1.394) 1.832 21.422 ( -1.098 0.313 -1.524) 1.905 21.733 ( 3.026 10.316 -21.709) 24.226 22.415 ( -0.266 5.821 -27.120) 27.739 23.768 ( -8.303 -11.990 -4.192) 15.175 24.201 ( -8.484 -10.698 -14.818) 20.149 25.102 ( 0.698 9.001 -0.713) 9.056 25.223 ( -0.588 3.547 -2.085) 4.157 25.299 ( 3.719 2.976 6.345) 7.934 25.442 ( 2.715 0.453 6.917) 7.444 25.498 ( 1.162 -0.357 2.654) 2.919 25.708 ( -2.689 0.662 1.103) 2.981 25.798 ( 3.024 -2.603 2.343) 4.627 26.112 ( -1.304 -4.632 -5.303) 7.161 ======================= Grid point 156 (55/96) ======================= q-point: ( 0.33 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( 15.487 6.761 31.680) 35.905 3.421 ( 13.100 15.780 29.180) 35.666 3.949 ( -16.491 5.925 17.223) 24.570 4.083 ( -25.779 10.965 12.656) 30.740 4.674 ( 10.333 -19.058 4.810) 22.206 4.746 ( 11.052 -0.301 18.921) 21.914 5.048 ( -7.698 -10.329 -0.707) 12.901 5.055 ( 0.822 1.612 13.484) 13.605 5.135 ( -4.515 0.034 9.225) 10.270 5.281 ( -3.319 0.209 4.282) 5.422 5.555 ( 3.928 -0.387 6.724) 7.797 5.703 ( 0.372 4.247 2.354) 4.870 5.760 ( 3.375 -5.304 3.269) 7.086 5.898 ( 6.493 0.027 -0.672) 6.528 6.040 ( 7.988 -1.171 14.148) 16.289 6.126 ( -4.495 -0.349 1.204) 4.667 6.349 ( -0.022 0.821 1.253) 1.498 6.523 ( 0.977 -0.947 3.431) 3.691 6.536 ( -6.820 -4.035 -3.061) 8.495 6.621 ( -1.354 3.882 -3.607) 5.469 6.786 ( -3.292 7.029 1.736) 7.953 6.851 ( -0.416 8.465 -3.298) 9.095 6.932 ( -1.393 8.089 5.326) 9.785 7.212 ( -2.394 -2.280 -4.977) 5.975 7.598 ( 1.987 -6.800 -3.903) 8.088 7.649 ( 3.715 -2.606 2.478) 5.170 7.895 ( 5.690 -0.955 3.973) 7.005 8.020 ( -0.254 -4.382 2.239) 4.927 8.157 ( 11.262 15.393 -4.629) 19.627 8.257 ( 13.322 -3.768 -10.418) 17.327 8.394 ( 2.229 1.131 -6.944) 7.380 8.479 ( 3.413 -1.014 0.460) 3.590 8.701 ( -4.237 2.470 -10.733) 11.801 8.745 ( 0.647 6.245 -9.191) 11.131 8.850 ( -6.967 13.094 -7.032) 16.415 8.910 ( -6.591 3.998 -2.452) 8.089 9.058 ( 0.853 -1.341 1.036) 1.897 9.201 ( 9.793 1.348 -3.953) 10.646 9.450 ( -12.360 -7.789 0.974) 14.642 9.701 ( -2.598 1.968 -0.050) 3.259 9.769 ( -5.496 2.772 -6.388) 8.871 9.841 ( -4.562 1.437 -12.352) 13.246 10.071 ( 3.440 5.235 -9.520) 11.396 10.217 ( 1.591 10.258 -8.259) 13.265 10.387 ( 1.544 3.348 -3.262) 4.923 10.571 ( -2.768 -2.207 -11.242) 11.786 10.788 ( -2.817 -5.891 -7.600) 10.020 10.897 ( 2.854 -11.698 -6.203) 13.544 11.140 ( -10.012 -11.270 -3.324) 15.437 11.247 ( -15.260 -12.350 -3.212) 19.892 11.721 ( 2.041 -8.900 -1.637) 9.277 11.823 ( 9.317 -3.021 -3.533) 10.412 12.055 ( -3.467 -8.056 2.147) 9.029 12.161 ( 1.440 -17.620 -3.777) 18.077 12.474 ( 8.822 -15.250 -0.835) 17.637 12.726 ( -4.563 -21.616 1.390) 22.136 13.189 ( 11.432 0.477 3.581) 11.989 13.376 ( 0.234 9.699 0.982) 9.752 13.596 ( 2.315 20.080 8.714) 22.011 13.790 ( 0.404 13.559 10.760) 17.315 14.106 ( -1.689 5.736 8.909) 10.729 14.322 ( -6.517 -0.506 6.782) 9.419 14.464 ( 13.141 11.328 -5.254) 18.128 14.656 ( -1.166 2.504 -1.140) 2.989 14.862 ( -3.184 0.893 0.963) 3.444 15.003 ( 1.439 13.443 6.950) 15.202 15.241 ( 2.883 13.411 10.704) 17.399 15.398 ( -9.712 6.263 3.255) 12.005 15.597 ( 0.716 -5.969 1.596) 6.220 15.752 ( 6.290 -13.078 -6.177) 15.772 15.904 ( -8.041 -9.647 7.453) 14.604 16.237 ( -9.888 -0.174 1.282) 9.972 16.457 ( 6.137 -0.696 2.950) 6.845 16.545 ( -6.991 -3.706 1.037) 7.980 16.684 ( -5.488 -0.121 2.499) 6.031 16.779 ( 2.133 5.516 8.433) 10.300 16.837 ( 4.455 -7.775 8.593) 12.416 17.007 ( 7.330 4.635 5.348) 10.189 17.139 ( -0.508 0.035 7.992) 8.008 17.181 ( 1.799 0.146 9.311) 9.484 17.296 ( -4.063 -0.452 9.739) 10.562 17.430 ( -4.972 -0.010 7.335) 8.862 17.478 ( 6.293 2.865 -5.847) 9.055 17.705 ( -4.890 2.207 -4.276) 6.860 18.170 ( 13.377 1.385 -5.918) 14.693 18.515 ( -3.702 -1.102 -10.218) 10.924 18.839 ( 3.674 -0.909 -5.146) 6.388 18.991 ( -4.064 -3.488 -5.128) 7.415 19.258 ( 15.697 0.497 -0.940) 15.733 19.288 ( 1.320 1.065 -1.177) 2.064 19.562 ( -10.905 1.037 -9.209) 14.311 19.831 ( -11.210 -4.025 -5.866) 13.277 21.208 ( 6.672 -0.574 -1.883) 6.957 21.257 ( 5.934 -2.635 -0.434) 6.507 21.305 ( 0.618 0.279 -1.526) 1.669 21.391 ( -2.395 0.173 -1.390) 2.775 21.855 ( 10.901 13.552 -21.234) 27.448 22.348 ( -8.270 10.920 -23.132) 26.884 23.663 ( -0.755 -15.333 -9.505) 18.056 23.992 ( -13.100 -13.319 -16.154) 24.697 25.126 ( 1.789 8.338 -0.878) 8.573 25.200 ( -1.727 5.539 -2.121) 6.177 25.381 ( 4.614 2.524 7.373) 9.057 25.479 ( 0.564 2.204 7.374) 7.717 25.535 ( 2.757 -1.679 1.456) 3.542 25.646 ( -3.572 -0.104 1.033) 3.720 25.874 ( 5.070 -3.187 2.017) 6.318 26.065 ( -3.822 -4.397 -2.184) 6.222 ======================= Grid point 157 (56/96) ======================= q-point: (-0.50 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.490 ( -22.605 7.032 22.456) 32.630 3.490 ( 22.605 7.032 22.456) 32.630 3.723 ( -13.467 14.499 20.475) 28.475 3.723 ( 13.467 14.499 20.475) 28.475 4.832 ( -6.984 -11.376 4.620) 14.125 4.832 ( 6.984 -11.376 4.620) 14.125 4.987 ( -6.376 -3.780 9.428) 11.993 4.987 ( 6.376 -3.780 9.428) 11.993 5.185 ( -6.578 -0.444 9.567) 11.619 5.185 ( 6.578 -0.444 9.567) 11.619 5.635 ( -4.852 -0.074 5.778) 7.545 5.635 ( 4.852 -0.074 5.778) 7.545 5.885 ( -8.762 -2.589 0.595) 9.156 5.885 ( 8.762 -2.589 0.595) 9.156 6.105 ( -5.602 -1.026 0.576) 5.724 6.105 ( 5.602 -1.026 0.576) 5.724 6.433 ( -5.342 2.440 2.301) 6.307 6.433 ( 5.342 2.440 2.301) 6.307 6.545 ( -5.262 -1.407 7.693) 9.426 6.545 ( 5.262 -1.407 7.693) 9.426 6.785 ( -3.809 8.838 -2.642) 9.980 6.785 ( 3.809 8.838 -2.642) 9.980 7.069 ( -11.262 3.918 0.860) 11.955 7.069 ( 11.262 3.918 0.860) 11.955 7.657 ( -2.866 -8.348 -1.475) 8.949 7.657 ( 2.866 -8.348 -1.475) 8.949 7.972 ( -3.049 -0.592 3.532) 4.703 7.972 ( 3.049 -0.592 3.532) 4.703 8.301 ( -5.342 13.099 -4.237) 14.767 8.301 ( 5.342 13.099 -4.237) 14.767 8.519 ( -8.814 -3.546 -8.373) 12.663 8.519 ( 8.814 -3.546 -8.373) 12.663 8.721 ( -10.127 2.657 -1.528) 10.581 8.721 ( 10.127 2.657 -1.528) 10.581 8.777 ( -2.581 7.691 -9.385) 12.405 8.777 ( 2.581 7.691 -9.385) 12.405 9.185 ( -12.744 -6.180 1.050) 14.203 9.185 ( 12.744 -6.180 1.050) 14.203 9.480 ( -17.403 -0.725 -4.007) 17.873 9.480 ( 17.403 -0.725 -4.007) 17.873 9.762 ( -2.586 8.008 -7.124) 11.026 9.762 ( 2.586 8.008 -7.124) 11.026 10.170 ( -5.749 7.602 -15.034) 17.800 10.170 ( 5.749 7.602 -15.034) 17.800 10.473 ( -6.432 1.576 -9.597) 11.660 10.473 ( 6.432 1.576 -9.597) 11.660 10.902 ( -11.571 -13.405 -0.242) 17.710 10.902 ( 11.571 -13.405 -0.242) 17.710 11.023 ( -8.458 -11.544 -2.784) 14.579 11.023 ( 8.458 -11.544 -2.784) 14.579 11.818 ( -6.825 -10.737 -6.686) 14.372 11.818 ( 6.825 -10.737 -6.686) 14.372 12.113 ( -6.781 -2.076 -2.003) 7.369 12.113 ( 6.781 -2.076 -2.003) 7.369 12.604 ( -6.801 -20.495 0.342) 21.597 12.604 ( 6.801 -20.495 0.342) 21.597 13.362 ( -4.092 4.338 3.578) 6.955 13.362 ( 4.092 4.338 3.578) 6.955 13.706 ( -10.873 10.349 14.950) 21.186 13.706 ( 10.874 10.349 14.950) 21.186 14.137 ( -9.408 13.244 8.568) 18.367 14.137 ( 9.408 13.244 8.568) 18.367 14.659 ( -6.013 -5.111 -2.829) 8.383 14.659 ( 6.013 -5.111 -2.829) 8.383 14.904 ( -10.089 16.521 -0.274) 19.360 14.904 ( 10.089 16.521 -0.274) 19.360 15.299 ( -3.734 5.860 5.639) 8.949 15.299 ( 3.734 5.860 5.639) 8.949 15.680 ( -8.813 -8.809 4.776) 13.345 15.680 ( 8.813 -8.809 4.776) 13.345 15.990 ( -13.400 -7.447 -4.264) 15.913 15.990 ( 13.400 -7.447 -4.264) 15.913 16.499 ( -3.369 -3.594 3.766) 6.201 16.499 ( 3.369 -3.594 3.766) 6.201 16.716 ( -7.097 8.398 4.941) 12.054 16.716 ( 7.097 8.398 4.941) 12.054 16.979 ( -8.686 -5.146 9.600) 13.932 16.979 ( 8.686 -5.146 9.600) 13.932 17.180 ( -6.631 5.468 6.008) 10.486 17.180 ( 6.631 5.468 6.008) 10.486 17.315 ( -7.034 -3.208 11.790) 14.099 17.315 ( 7.034 -3.208 11.790) 14.099 17.601 ( -6.382 1.676 -5.817) 8.797 17.601 ( 6.382 1.676 -5.817) 8.797 18.388 ( -9.664 1.837 -8.834) 13.221 18.388 ( 9.664 1.837 -8.834) 13.221 18.912 ( -4.149 -3.169 -4.878) 7.146 18.912 ( 4.149 -3.169 -4.878) 7.146 19.360 ( -6.281 0.911 -4.545) 7.806 19.360 ( 6.281 0.911 -4.545) 7.806 19.585 ( -14.622 -2.261 -4.932) 15.596 19.585 ( 14.622 -2.261 -4.932) 15.596 21.298 ( -1.904 -1.082 -1.314) 2.554 21.298 ( 1.904 -1.082 -1.314) 2.554 21.333 ( -3.461 -0.507 -1.929) 3.994 21.333 ( 3.461 -0.507 -1.929) 3.994 22.115 ( -15.361 13.757 -19.854) 28.625 22.115 ( 15.361 13.757 -19.854) 28.625 23.762 ( -10.393 -15.699 -15.025) 24.088 23.762 ( 10.393 -15.699 -15.025) 24.088 25.163 ( -2.144 7.247 -1.442) 7.694 25.163 ( 2.144 7.247 -1.442) 7.694 25.456 ( -3.022 2.469 7.448) 8.408 25.456 ( 3.022 2.469 7.448) 8.408 25.587 ( -2.842 -1.166 1.105) 3.265 25.587 ( 2.842 -1.166 1.105) 3.265 25.976 ( -5.540 -3.870 0.575) 6.782 25.976 ( 5.540 -3.870 0.575) 6.782 ======================= Grid point 161 (57/96) ======================= q-point: ( 0.00 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( 0.000 11.928 36.131) 38.049 3.351 ( 0.000 18.168 35.508) 39.886 3.923 ( 0.000 -19.885 17.557) 26.526 4.184 ( 0.000 -15.303 18.633) 24.112 4.554 ( 0.000 12.316 20.524) 23.936 4.966 ( 0.000 -5.040 -0.849) 5.111 5.078 ( 0.000 8.236 1.418) 8.357 5.156 ( 0.000 3.246 21.085) 21.334 5.228 ( 0.000 0.501 -7.733) 7.750 5.395 ( 0.000 -0.371 3.505) 3.525 5.461 ( 0.000 -5.325 3.986) 6.652 5.596 ( 0.000 -2.192 7.519) 7.832 5.607 ( 0.000 -2.088 8.193) 8.455 5.738 ( 0.000 -2.087 9.376) 9.606 5.973 ( 0.000 13.408 10.524) 17.044 6.290 ( 0.000 -4.015 13.041) 13.645 6.297 ( 0.000 -0.142 4.946) 4.948 6.554 ( 0.000 -9.202 0.608) 9.222 6.637 ( 0.000 13.127 -12.969) 18.453 6.879 ( 0.000 8.159 -1.892) 8.375 6.988 ( 0.000 -1.359 2.867) 3.173 7.040 ( 0.000 -3.538 5.215) 6.302 7.134 ( 0.000 5.522 -15.422) 16.381 7.180 ( 0.000 8.149 -9.202) 12.291 7.217 ( 0.000 -4.950 -2.660) 5.619 7.546 ( 0.000 5.879 1.078) 5.977 7.582 ( 0.000 -4.255 -11.435) 12.201 7.904 ( 0.000 1.892 -0.355) 1.925 8.004 ( 0.000 -3.651 -12.619) 13.137 8.026 ( 0.000 -8.795 -2.695) 9.198 8.243 ( 0.000 17.783 -8.408) 19.671 8.423 ( 0.000 5.310 -4.747) 7.123 8.807 ( 0.000 -4.954 0.938) 5.042 8.915 ( 0.000 -9.952 -15.237) 18.199 9.081 ( 0.000 4.749 -5.384) 7.179 9.083 ( 0.000 -1.506 4.530) 4.774 9.171 ( 0.000 4.159 -4.106) 5.844 9.438 ( 0.000 0.895 2.688) 2.833 9.616 ( 0.000 4.100 -4.079) 5.783 9.661 ( 0.000 5.340 1.699) 5.604 9.812 ( 0.000 6.483 -6.367) 9.087 9.827 ( 0.000 9.237 1.240) 9.320 10.128 ( 0.000 -2.913 -8.003) 8.516 10.279 ( 0.000 -1.888 -8.992) 9.188 10.516 ( 0.000 12.203 -6.833) 13.986 10.517 ( 0.000 4.613 0.647) 4.658 10.993 ( 0.000 -8.649 1.031) 8.710 11.018 ( 0.000 -7.642 -9.997) 12.583 11.210 ( 0.000 -22.682 -8.422) 24.195 11.252 ( 0.000 -8.604 -18.245) 20.172 11.416 ( 0.000 -4.658 2.657) 5.362 11.470 ( 0.000 -14.024 -4.084) 14.606 11.800 ( 0.000 -10.665 7.825) 13.228 11.919 ( 0.000 -12.258 3.088) 12.641 11.999 ( 0.000 -9.156 2.523) 9.497 12.017 ( 0.000 -5.041 0.371) 5.055 13.314 ( 0.000 7.901 -8.120) 11.330 13.620 ( 0.000 0.857 -0.948) 1.279 13.732 ( 0.000 -0.458 -1.980) 2.032 13.804 ( 0.000 14.738 1.306) 14.796 14.120 ( 0.000 -3.055 0.085) 3.056 14.177 ( 0.000 -5.185 7.640) 9.233 14.727 ( 0.000 22.205 -5.258) 22.819 14.824 ( 0.000 10.499 3.795) 11.164 15.086 ( 0.000 5.598 2.302) 6.053 15.167 ( 0.000 1.223 15.183) 15.232 15.388 ( 0.000 3.951 1.582) 4.256 15.416 ( 0.000 11.313 10.218) 15.244 15.705 ( 0.000 5.951 15.414) 16.523 15.769 ( 0.000 -12.906 7.489) 14.921 16.127 ( 0.000 -6.632 -3.181) 7.356 16.167 ( 0.000 5.844 7.591) 9.580 16.416 ( 0.000 -9.610 7.139) 11.971 16.473 ( 0.000 0.938 8.065) 8.120 16.646 ( 0.000 -0.530 11.876) 11.887 16.720 ( 0.000 4.228 6.270) 7.562 16.857 ( 0.000 -11.869 1.618) 11.979 16.858 ( 0.000 -2.227 12.686) 12.880 17.025 ( 0.000 -4.218 -7.834) 8.898 17.041 ( 0.000 -4.965 7.347) 8.867 17.476 ( 0.000 3.277 3.433) 4.746 17.562 ( 0.000 -1.952 2.002) 2.797 17.644 ( 0.000 12.032 -3.875) 12.640 17.820 ( 0.000 6.694 -7.913) 10.364 17.864 ( 0.000 -0.234 -3.000) 3.009 18.157 ( 0.000 -9.799 -11.268) 14.933 18.960 ( 0.000 4.656 -2.951) 5.513 18.979 ( 0.000 5.778 -7.426) 9.409 19.152 ( 0.000 0.572 1.861) 1.947 19.216 ( 0.000 -4.880 3.707) 6.129 19.849 ( 0.000 0.098 -12.106) 12.106 19.957 ( 0.000 -4.948 -7.698) 9.151 21.013 ( 0.000 -0.014 -0.700) 0.700 21.021 ( 0.000 -0.396 -1.201) 1.265 21.322 ( 0.000 2.213 -1.806) 2.857 21.414 ( 0.000 -1.868 -1.870) 2.643 21.954 ( 0.000 15.269 -21.064) 26.016 22.432 ( 0.000 -3.453 -26.782) 27.004 23.716 ( 0.000 -1.990 -6.061) 6.380 24.052 ( 0.000 -13.217 -14.362) 19.518 25.267 ( 0.000 6.640 -0.439) 6.655 25.270 ( 0.000 2.786 2.706) 3.883 25.335 ( 0.000 2.788 2.408) 3.684 25.390 ( 0.000 -2.020 4.721) 5.135 25.519 ( 0.000 3.292 4.398) 5.493 25.702 ( 0.000 -4.279 3.070) 5.267 25.774 ( 0.000 3.372 -0.800) 3.466 26.004 ( 0.000 -6.955 -4.477) 8.271 ======================= Grid point 162 (58/96) ======================= q-point: ( 0.17 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.164 ( 2.685 15.336 32.934) 36.429 3.531 ( 13.564 18.143 32.952) 39.987 3.977 ( 6.511 -20.773 16.121) 27.088 4.204 ( 1.489 -10.609 15.029) 18.457 4.591 ( 2.866 6.640 19.180) 20.499 4.755 ( -21.197 5.553 10.105) 24.130 4.991 ( -2.020 0.721 -0.207) 2.154 5.128 ( -7.924 -5.247 -2.165) 9.748 5.255 ( 2.186 4.839 14.019) 14.990 5.382 ( -9.301 0.740 1.945) 9.531 5.439 ( 4.456 -2.825 5.276) 7.461 5.582 ( -0.345 -6.771 4.693) 8.246 5.667 ( 7.349 0.334 4.564) 8.657 5.830 ( 8.358 -1.151 14.337) 16.635 5.982 ( -3.141 6.819 5.336) 9.211 6.146 ( -7.446 -5.611 3.690) 10.027 6.328 ( 3.810 3.250 9.168) 10.446 6.552 ( -0.174 -4.442 -0.295) 4.455 6.607 ( -5.034 5.639 1.438) 7.695 6.807 ( -7.558 -3.698 5.178) 9.880 6.944 ( -2.121 15.413 -9.389) 18.172 7.076 ( -0.924 4.868 -5.103) 7.113 7.103 ( 5.035 1.667 -1.481) 5.507 7.157 ( -0.892 7.210 -6.510) 9.756 7.464 ( 11.002 -3.196 -2.661) 11.762 7.551 ( 3.925 -6.080 -3.967) 8.253 7.684 ( 8.232 2.997 -4.495) 9.847 7.891 ( 1.572 1.487 0.549) 2.232 8.047 ( 2.300 -8.501 -5.468) 10.367 8.079 ( 6.224 -6.495 -11.310) 14.451 8.310 ( 8.041 17.992 -7.543) 21.102 8.510 ( 8.350 6.177 -4.363) 11.265 8.772 ( -4.013 -2.184 -2.914) 5.419 8.898 ( -2.206 -4.592 -9.033) 10.371 8.970 ( -7.246 -2.744 -1.842) 7.964 9.085 ( -1.916 -3.440 -7.360) 8.347 9.130 ( -2.840 9.665 -1.689) 10.214 9.372 ( -4.555 6.117 4.893) 9.061 9.595 ( -4.781 8.098 1.928) 9.599 9.729 ( -2.855 -0.895 -2.810) 4.104 9.773 ( 5.281 2.582 -3.695) 6.943 9.969 ( 8.812 3.534 0.685) 9.519 10.080 ( -3.670 7.573 -11.163) 13.980 10.224 ( -0.774 -5.789 -9.476) 11.131 10.413 ( -5.073 0.266 -5.667) 7.611 10.601 ( 2.636 9.035 -6.623) 11.509 10.796 ( -9.770 -1.835 -1.403) 10.040 11.031 ( -10.745 -18.472 -4.337) 21.805 11.077 ( -8.980 -2.204 -12.715) 15.722 11.243 ( -15.696 -9.584 -7.645) 19.916 11.319 ( 3.264 -19.970 -8.632) 21.999 11.580 ( 6.877 -19.044 -4.286) 20.697 11.774 ( 8.694 6.521 8.793) 13.979 11.914 ( 0.122 -8.226 2.460) 8.587 12.028 ( 8.262 -10.658 -1.664) 13.588 12.285 ( 11.128 -16.539 5.893) 20.787 13.280 ( -1.641 10.273 -7.151) 12.624 13.591 ( -6.247 7.289 1.573) 9.728 13.683 ( 6.266 2.484 1.024) 6.818 13.933 ( -0.693 0.124 1.970) 2.092 14.120 ( 7.037 -2.018 -0.948) 7.382 14.279 ( 8.398 -0.024 4.409) 9.485 14.644 ( -5.333 19.349 2.454) 20.220 14.905 ( 2.877 7.604 1.697) 8.305 15.072 ( 2.876 14.196 2.932) 14.778 15.204 ( -3.989 5.887 11.639) 13.639 15.345 ( 0.456 3.897 3.829) 5.483 15.408 ( 0.715 0.777 10.774) 10.825 15.524 ( -10.930 0.164 13.776) 17.586 15.817 ( -1.709 -9.690 6.797) 11.959 16.032 ( -10.706 7.783 -3.050) 13.583 16.258 ( 1.194 -7.256 2.713) 7.838 16.295 ( 2.413 -4.617 7.965) 9.518 16.503 ( -3.035 2.229 5.711) 6.841 16.691 ( 2.555 -6.779 3.417) 8.010 16.764 ( 2.023 0.208 5.089) 5.480 16.817 ( -7.467 -1.286 -1.277) 7.683 16.888 ( 4.796 -4.437 14.422) 15.833 16.934 ( 2.808 -3.974 8.502) 9.796 17.135 ( 3.416 -8.436 5.837) 10.812 17.408 ( -4.071 4.120 2.440) 6.285 17.517 ( -2.902 1.006 -0.961) 3.218 17.627 ( -2.679 9.980 -0.796) 10.364 17.819 ( -3.352 0.473 -1.912) 3.888 17.983 ( 13.823 7.000 -9.225) 18.032 18.311 ( 12.344 -8.734 -11.123) 18.772 18.876 ( -4.977 3.554 -5.240) 8.054 18.997 ( -3.541 -1.651 -7.063) 8.072 19.148 ( 3.845 3.724 3.210) 6.241 19.259 ( 2.748 -1.645 1.575) 3.569 19.764 ( -8.333 0.628 -10.513) 13.429 19.894 ( -6.538 -5.424 -6.932) 10.964 21.077 ( 6.001 -0.110 -1.088) 6.100 21.091 ( 6.663 -0.832 -0.948) 6.782 21.323 ( 0.044 1.961 -1.789) 2.655 21.406 ( -0.919 -1.707 -1.789) 2.638 22.008 ( 6.113 16.683 -20.917) 27.444 22.490 ( 5.841 -0.966 -26.785) 27.431 23.582 ( -12.996 -3.821 -6.723) 15.123 23.942 ( -11.373 -14.884 -15.427) 24.266 25.264 ( 0.728 6.254 0.701) 6.335 25.295 ( 1.226 3.963 0.380) 4.165 25.363 ( 2.871 2.488 4.542) 5.921 25.426 ( 3.407 -2.132 3.605) 5.399 25.524 ( 0.637 3.464 4.840) 5.986 25.721 ( 1.482 -3.963 3.483) 5.481 25.750 ( -1.948 2.894 -0.972) 3.621 25.993 ( -1.315 -7.102 -3.445) 8.002 ======================= Grid point 163 (59/96) ======================= q-point: ( 0.33 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.338 ( 15.881 16.632 25.164) 34.089 3.764 ( 11.064 17.351 25.514) 32.778 4.100 ( -3.347 5.396 19.775) 20.770 4.254 ( 7.695 -19.483 7.703) 22.319 4.318 ( -19.073 10.990 9.214) 23.863 4.661 ( 4.890 -8.890 14.394) 17.611 4.845 ( -13.462 -7.724 -0.671) 15.535 5.047 ( -5.424 -7.570 -0.779) 9.345 5.174 ( -5.575 7.291 15.615) 18.112 5.283 ( -0.119 2.400 11.767) 12.010 5.503 ( 1.540 -5.079 6.567) 8.444 5.617 ( 0.723 -9.233 4.131) 10.141 5.757 ( 0.892 0.904 5.064) 5.220 5.903 ( 5.484 -1.412 1.218) 5.792 6.025 ( 9.395 1.323 8.360) 12.645 6.099 ( -3.017 0.897 -0.119) 3.149 6.429 ( 5.068 3.962 7.375) 9.786 6.472 ( -5.450 -1.926 0.862) 5.844 6.532 ( -1.124 3.230 11.964) 12.443 6.692 ( -6.807 1.169 4.985) 8.518 6.939 ( 1.487 7.453 -7.216) 10.480 7.047 ( 0.021 3.809 1.300) 4.024 7.073 ( -5.672 10.551 -4.279) 12.721 7.191 ( -0.800 1.030 -2.107) 2.478 7.513 ( 4.139 0.264 -5.840) 7.163 7.694 ( 0.609 5.320 -0.230) 5.360 7.819 ( 8.120 -8.108 -0.952) 11.514 7.956 ( 1.759 -0.509 4.529) 4.886 8.153 ( 10.875 -6.256 -12.659) 17.823 8.241 ( 11.352 -6.638 -8.882) 15.869 8.501 ( 8.050 11.622 -4.463) 14.826 8.606 ( -2.428 9.900 2.395) 10.471 8.717 ( -3.129 1.134 -8.384) 9.020 8.821 ( 4.147 1.748 -12.359) 13.153 8.908 ( -2.697 -1.836 -0.971) 3.404 9.003 ( -4.161 1.478 -2.920) 5.294 9.186 ( 9.021 -0.973 -4.039) 9.932 9.256 ( -8.674 8.273 5.260) 13.090 9.367 ( -16.660 4.969 2.374) 17.547 9.663 ( -6.259 -2.257 0.111) 6.654 9.875 ( 6.053 4.990 -10.805) 13.353 9.971 ( -0.476 11.037 -8.796) 14.121 10.158 ( 1.654 2.499 -12.091) 12.457 10.311 ( 8.193 -5.931 -10.705) 14.727 10.376 ( 4.393 -5.504 -1.016) 7.115 10.576 ( -7.478 -3.890 -6.648) 10.736 10.628 ( -10.041 -0.842 -10.541) 14.582 10.815 ( -8.595 0.110 -8.312) 11.958 10.848 ( -9.477 -7.062 1.161) 11.876 10.986 ( -10.096 -9.364 -6.639) 15.287 11.430 ( 6.492 -17.750 -11.406) 22.075 11.646 ( -1.283 -21.599 -6.632) 22.630 11.934 ( 5.284 -2.115 0.796) 5.747 11.982 ( 7.743 3.208 1.693) 8.550 12.194 ( 8.037 -13.367 3.195) 15.921 12.362 ( -1.953 -14.890 4.319) 15.626 13.312 ( 5.081 11.466 -1.779) 12.667 13.507 ( -3.607 6.513 1.249) 7.549 13.823 ( 7.207 0.166 6.971) 10.028 13.880 ( -1.823 -4.361 5.221) 7.043 14.245 ( 5.862 0.251 -0.063) 5.868 14.447 ( 6.463 10.934 5.229) 13.736 14.550 ( -4.556 12.510 4.336) 14.002 14.860 ( -13.557 13.398 4.745) 19.642 15.066 ( 9.612 13.982 5.900) 17.964 15.198 ( -0.488 3.919 7.326) 8.323 15.352 ( -7.453 -4.700 12.245) 15.086 15.432 ( 10.005 -7.109 6.413) 13.848 15.496 ( 6.294 3.878 5.824) 9.411 15.718 ( -8.029 -5.762 7.131) 12.187 15.790 ( -12.561 12.685 -6.498) 18.998 16.137 ( -13.120 -9.698 -4.155) 16.836 16.372 ( 2.138 -3.518 5.317) 6.725 16.491 ( -1.814 -0.885 1.612) 2.583 16.635 ( 2.730 -6.075 -2.990) 7.301 16.770 ( 4.498 2.492 7.010) 8.693 16.885 ( 2.333 -10.216 12.621) 16.404 16.943 ( -0.996 3.839 12.287) 12.911 17.019 ( 6.607 -5.263 8.768) 12.174 17.179 ( 1.344 -7.224 11.384) 13.549 17.366 ( -0.089 8.518 0.407) 8.528 17.495 ( -0.919 2.104 0.338) 2.320 17.561 ( -2.413 6.740 -1.660) 7.349 17.731 ( -5.969 -0.151 -3.753) 7.052 18.257 ( 14.338 7.537 -9.069) 18.565 18.495 ( 5.497 -1.364 -10.120) 11.597 18.799 ( -2.614 -2.459 -7.359) 8.188 18.897 ( -5.767 -5.607 -6.767) 10.511 19.284 ( 9.754 1.919 0.070) 9.941 19.311 ( 3.307 1.039 -0.525) 3.506 19.584 ( -9.847 1.423 -7.181) 12.269 19.731 ( -10.604 -5.643 -5.288) 13.125 21.198 ( 6.312 -0.240 -1.169) 6.424 21.221 ( 6.369 -1.290 -1.176) 6.604 21.318 ( -0.678 1.151 -1.665) 2.135 21.377 ( -2.337 -1.323 -1.688) 3.172 22.190 ( 13.397 19.621 -19.903) 30.994 22.593 ( 2.173 10.914 -24.853) 27.231 23.338 ( -9.070 -14.199 -10.206) 19.698 23.668 ( -16.908 -18.708 -17.306) 30.584 25.287 ( 1.426 7.085 0.814) 7.273 25.310 ( 0.371 5.314 0.526) 5.353 25.428 ( 3.688 0.923 5.193) 6.436 25.488 ( 2.214 -3.079 2.073) 4.322 25.545 ( 1.859 4.679 5.451) 7.420 25.676 ( -4.125 3.923 0.568) 5.721 25.788 ( 4.013 -5.456 2.411) 7.189 25.950 ( -3.431 -7.113 -1.039) 7.965 ======================= Grid point 164 (60/96) ======================= q-point: (-0.50 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.710 ( -21.701 14.966 18.477) 32.192 3.710 ( 21.701 14.966 18.477) 32.192 4.033 ( -10.271 14.315 17.911) 25.125 4.033 ( 10.271 14.315 17.911) 25.125 4.560 ( -17.052 -13.960 3.670) 22.341 4.560 ( 17.052 -13.960 3.670) 22.341 4.821 ( -12.305 -12.565 7.131) 18.978 4.821 ( 12.305 -12.565 7.131) 18.978 5.233 ( -5.146 5.098 12.689) 14.611 5.233 ( 5.146 5.098 12.689) 14.611 5.542 ( -3.747 -8.671 6.959) 11.733 5.542 ( 3.747 -8.671 6.959) 11.733 5.906 ( -10.710 4.623 1.669) 11.784 5.906 ( 10.710 4.623 1.669) 11.784 6.077 ( -6.081 -2.249 0.712) 6.523 6.077 ( 6.081 -2.249 0.712) 6.523 6.484 ( -5.495 2.936 4.381) 7.616 6.484 ( 5.495 2.936 4.381) 7.616 6.545 ( -7.105 0.612 11.996) 13.955 6.545 ( 7.105 0.612 11.996) 13.955 6.976 ( -3.310 8.849 -3.372) 10.031 6.976 ( 3.310 8.849 -3.372) 10.031 7.113 ( -5.714 0.301 -1.491) 5.913 7.113 ( 5.714 0.301 -1.491) 5.913 7.627 ( -6.276 4.697 -2.225) 8.149 7.627 ( 6.276 4.697 -2.225) 8.149 7.931 ( -3.837 -4.514 1.000) 6.009 7.931 ( 3.837 -4.514 1.000) 6.009 8.395 ( -12.742 -0.402 -7.896) 14.995 8.395 ( 12.742 -0.402 -7.896) 14.995 8.466 ( -12.304 -2.142 -5.553) 13.667 8.466 ( 12.304 -2.142 -5.553) 13.667 8.796 ( -8.941 5.469 -2.057) 10.681 8.796 ( 8.941 5.469 -2.057) 10.681 9.031 ( -10.991 11.384 -6.363) 17.055 9.031 ( 10.991 11.384 -6.363) 17.055 9.071 ( -5.913 -0.927 2.846) 6.627 9.071 ( 5.913 -0.927 2.846) 6.627 9.455 ( -15.023 -2.474 -1.310) 15.282 9.455 ( 15.023 -2.474 -1.310) 15.282 9.959 ( -2.230 10.537 -9.451) 14.329 9.959 ( 2.230 10.537 -9.451) 14.329 10.262 ( -10.923 3.428 -18.366) 21.642 10.262 ( 10.923 3.428 -18.366) 21.642 10.456 ( -5.922 -14.098 -5.547) 16.266 10.456 ( 5.922 -14.098 -5.547) 16.266 10.638 ( -12.839 -7.264 0.593) 14.764 10.638 ( 12.839 -7.264 0.593) 14.764 10.839 ( -5.873 1.231 -6.792) 9.063 10.839 ( 5.873 1.231 -6.792) 9.063 11.555 ( -6.789 -18.537 -9.538) 21.924 11.555 ( 6.789 -18.537 -9.538) 21.924 12.037 ( -3.169 -1.532 0.438) 3.547 12.037 ( 3.169 -1.532 0.438) 3.547 12.292 ( -3.784 -12.313 2.847) 13.192 12.292 ( 3.784 -12.313 2.847) 13.192 13.426 ( -5.777 7.381 1.134) 9.441 13.426 ( 5.777 7.381 1.134) 9.441 13.880 ( -0.555 -2.683 9.762) 10.139 13.880 ( 0.555 -2.683 9.762) 10.139 14.397 ( -9.080 14.293 4.445) 17.507 14.397 ( 9.080 14.293 4.445) 17.507 14.600 ( -10.139 4.678 3.033) 11.571 14.600 ( 10.139 4.678 3.033) 11.571 15.230 ( -4.410 -1.425 10.264) 11.262 15.230 ( 4.410 -1.425 10.264) 11.262 15.372 ( -17.924 14.141 3.046) 23.033 15.372 ( 17.924 14.141 3.046) 23.033 15.586 ( -7.098 -4.853 9.530) 12.835 15.586 ( 7.098 -4.853 9.530) 12.835 15.839 ( -16.080 -2.784 -9.827) 19.049 15.839 ( 16.080 -2.784 -9.827) 19.049 16.425 ( -3.821 -2.425 3.641) 5.808 16.425 ( 3.821 -2.425 3.641) 5.808 16.776 ( -8.807 -12.000 1.234) 14.936 16.776 ( 8.807 -12.000 1.234) 14.936 16.898 ( -4.953 6.024 14.299) 16.288 16.898 ( 4.953 6.024 14.299) 16.288 17.142 ( -5.424 -5.234 10.322) 12.781 17.142 ( 5.424 -5.234 10.322) 12.781 17.419 ( -5.072 8.895 2.141) 10.461 17.419 ( 5.072 8.895 2.141) 10.461 17.614 ( -5.991 -0.774 -4.531) 7.551 17.614 ( 5.991 -0.774 -4.531) 7.551 18.471 ( -7.648 6.894 -8.943) 13.638 18.471 ( 7.648 6.894 -8.943) 13.638 18.808 ( -3.350 -7.404 -8.211) 11.553 18.808 ( 3.350 -7.404 -8.211) 11.553 19.392 ( -4.393 2.423 -2.448) 5.582 19.392 ( 4.393 2.423 -2.448) 5.582 19.526 ( -9.703 -3.608 -3.819) 11.034 19.526 ( 9.703 -3.608 -3.819) 11.034 21.287 ( -2.980 0.032 -1.302) 3.253 21.287 ( 2.980 0.032 -1.302) 3.253 21.317 ( -4.148 -1.012 -1.665) 4.583 21.317 ( 4.148 -1.012 -1.665) 4.583 22.467 ( -14.295 21.425 -19.658) 32.401 22.467 ( 14.295 21.425 -19.658) 32.401 23.377 ( -12.118 -22.577 -16.871) 30.679 23.377 ( 12.118 -22.577 -16.871) 30.679 25.308 ( -0.661 6.753 0.969) 6.854 25.308 ( 0.661 6.753 0.969) 6.854 25.486 ( -2.101 -1.370 4.216) 4.906 25.486 ( 2.101 -1.370 4.216) 4.906 25.600 ( -3.806 4.439 2.133) 6.224 25.600 ( 3.806 4.439 2.133) 6.224 25.872 ( -4.738 -6.590 1.348) 8.228 25.872 ( 4.738 -6.590 1.348) 8.228 ======================= Grid point 168 (61/96) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.472 ( 0.000 -15.194 24.764) 29.054 3.472 ( 0.000 15.194 24.764) 29.054 3.813 ( 0.000 -18.163 30.913) 35.854 3.813 ( 0.000 18.163 30.913) 35.854 4.816 ( 0.000 -11.180 4.939) 12.222 4.816 ( 0.000 11.180 4.939) 12.222 5.165 ( 0.000 -1.672 3.457) 3.841 5.165 ( 0.000 1.672 3.457) 3.841 5.305 ( 0.000 -6.509 10.352) 12.228 5.305 ( 0.000 6.509 10.352) 12.228 5.492 ( 0.000 -6.019 0.022) 6.019 5.492 ( 0.000 6.019 0.022) 6.019 5.643 ( 0.000 -5.291 8.798) 10.267 5.643 ( 0.000 5.291 8.798) 10.267 6.233 ( 0.000 -8.641 4.841) 9.904 6.233 ( 0.000 8.641 4.841) 9.904 6.341 ( 0.000 -9.517 11.853) 15.201 6.341 ( 0.000 9.517 11.853) 15.201 6.864 ( 0.000 -6.068 -4.408) 7.500 6.864 ( 0.000 6.068 -4.408) 7.500 6.994 ( 0.000 -2.004 6.612) 6.909 6.994 ( 0.000 2.004 6.612) 6.909 7.184 ( 0.000 -1.109 -12.345) 12.395 7.184 ( 0.000 1.109 -12.345) 12.395 7.369 ( 0.000 -10.050 -8.647) 13.258 7.369 ( 0.000 10.050 -8.647) 13.258 7.805 ( 0.000 -12.042 -9.135) 15.115 7.805 ( 0.000 12.042 -9.135) 15.115 7.951 ( 0.000 -2.080 -2.054) 2.923 7.951 ( 0.000 2.080 -2.054) 2.923 8.505 ( 0.000 -4.143 -7.013) 8.145 8.505 ( 0.000 4.143 -7.013) 8.145 8.711 ( 0.000 -2.003 -4.912) 5.305 8.711 ( 0.000 2.003 -4.912) 5.305 9.102 ( 0.000 -1.496 -2.933) 3.292 9.102 ( 0.000 1.496 -2.933) 3.292 9.325 ( 0.000 -8.639 6.364) 10.730 9.325 ( 0.000 8.639 6.364) 10.730 9.670 ( 0.000 -1.595 -6.341) 6.539 9.670 ( 0.000 1.595 -6.341) 6.539 10.016 ( 0.000 -8.078 -4.402) 9.200 10.016 ( 0.000 8.078 -4.402) 9.200 10.092 ( 0.000 -15.680 -7.592) 17.421 10.092 ( 0.000 15.680 -7.592) 17.421 10.703 ( 0.000 -11.056 -3.411) 11.570 10.703 ( 0.000 11.056 -3.411) 11.570 10.885 ( 0.000 -0.255 0.209) 0.330 10.885 ( 0.000 0.255 0.209) 0.330 10.978 ( 0.000 -14.093 -7.599) 16.012 10.978 ( 0.000 14.093 -7.599) 16.012 11.364 ( 0.000 -2.915 -9.252) 9.700 11.364 ( 0.000 2.915 -9.252) 9.700 11.738 ( 0.000 -4.457 6.353) 7.761 11.738 ( 0.000 4.457 6.353) 7.761 11.955 ( 0.000 -1.408 -1.558) 2.100 11.955 ( 0.000 1.408 -1.558) 2.100 13.468 ( 0.000 -8.571 -4.689) 9.770 13.468 ( 0.000 8.571 -4.689) 9.770 13.935 ( 0.000 -12.290 -1.218) 12.350 13.935 ( 0.000 12.290 -1.218) 12.350 14.047 ( 0.000 -8.646 2.684) 9.053 14.047 ( 0.000 8.646 2.684) 9.053 14.918 ( 0.000 -1.768 7.498) 7.703 14.918 ( 0.000 1.768 7.498) 7.703 15.258 ( 0.000 -5.040 6.670) 8.360 15.258 ( 0.000 5.040 6.670) 8.360 15.411 ( 0.000 -13.300 -1.270) 13.360 15.411 ( 0.000 13.300 -1.270) 13.360 15.728 ( 0.000 -7.574 14.500) 16.359 15.728 ( 0.000 7.574 14.500) 16.359 16.141 ( 0.000 -6.563 2.287) 6.950 16.141 ( 0.000 6.563 2.287) 6.950 16.396 ( 0.000 -8.078 9.864) 12.749 16.396 ( 0.000 8.078 9.864) 12.749 16.618 ( 0.000 -1.170 13.283) 13.335 16.618 ( 0.000 1.170 13.283) 13.335 16.885 ( 0.000 -1.837 4.550) 4.907 16.885 ( 0.000 1.837 4.550) 4.907 16.950 ( 0.000 -1.026 -1.102) 1.506 16.950 ( 0.000 1.026 -1.102) 1.506 17.523 ( 0.000 -1.858 2.401) 3.036 17.523 ( 0.000 1.858 2.401) 3.036 17.811 ( 0.000 -4.930 -2.754) 5.648 17.811 ( 0.000 4.930 -2.754) 5.648 17.983 ( 0.000 -8.302 -12.179) 14.739 17.983 ( 0.000 8.302 -12.179) 14.739 19.027 ( 0.000 -1.300 -6.392) 6.523 19.027 ( 0.000 1.300 -6.392) 6.523 19.156 ( 0.000 -0.747 3.649) 3.725 19.156 ( 0.000 0.747 3.649) 3.725 19.876 ( 0.000 -2.903 -9.545) 9.977 19.876 ( 0.000 2.903 -9.545) 9.977 21.015 ( 0.000 -0.200 -0.858) 0.881 21.015 ( 0.000 0.200 -0.858) 0.881 21.369 ( 0.000 -2.553 -2.048) 3.273 21.369 ( 0.000 2.553 -2.048) 3.273 22.252 ( 0.000 -13.862 -22.688) 26.588 22.252 ( 0.000 13.862 -22.688) 26.588 23.810 ( 0.000 -10.286 -11.996) 15.802 23.810 ( 0.000 10.286 -11.996) 15.802 25.323 ( 0.000 -1.711 1.251) 2.120 25.323 ( 0.000 1.711 1.251) 2.120 25.358 ( 0.000 -0.071 3.998) 3.999 25.358 ( 0.000 0.071 3.998) 3.999 25.607 ( 0.000 -5.194 3.518) 6.274 25.607 ( 0.000 5.194 3.518) 6.274 25.870 ( 0.000 -6.308 -2.493) 6.783 25.870 ( 0.000 6.308 -2.493) 6.783 ======================= Grid point 170 (62/96) ======================= q-point: ( 0.17 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.532 ( 6.689 -21.579 22.747) 32.059 3.532 ( 6.689 21.579 22.747) 32.059 3.904 ( 9.366 -18.205 27.562) 34.334 3.904 ( 9.366 18.205 27.562) 34.334 4.758 ( -8.800 -5.787 9.260) 14.024 4.758 ( -8.800 5.787 9.260) 14.024 5.025 ( -8.748 -3.481 -1.805) 9.586 5.025 ( -8.748 3.481 -1.805) 9.586 5.353 ( 0.440 -4.084 12.995) 13.629 5.353 ( 0.440 4.084 12.995) 13.629 5.466 ( -1.278 -4.457 1.279) 4.810 5.466 ( -1.278 4.457 1.279) 4.810 5.711 ( 5.171 -6.010 7.030) 10.597 5.711 ( 5.171 6.010 7.030) 10.597 6.097 ( -6.685 -3.555 5.389) 9.294 6.097 ( -6.685 3.555 5.389) 9.294 6.431 ( 5.446 -6.804 7.195) 11.301 6.431 ( 5.446 6.804 7.195) 11.301 6.717 ( -7.867 -5.177 6.230) 11.292 6.717 ( -7.867 5.177 6.230) 11.292 7.107 ( -0.972 -1.563 -4.503) 4.865 7.107 ( -0.972 1.563 -4.503) 4.865 7.232 ( 4.287 -9.070 -6.934) 12.195 7.232 ( 4.287 9.070 -6.934) 12.195 7.406 ( 7.502 -4.007 -5.743) 10.262 7.406 ( 7.502 4.007 -5.743) 10.262 7.854 ( 3.547 -10.016 -5.396) 11.917 7.854 ( 3.547 10.016 -5.396) 11.917 7.963 ( 3.100 -5.383 -5.316) 8.176 7.963 ( 3.100 5.383 -5.316) 8.176 8.574 ( 6.309 -6.514 -6.144) 10.953 8.574 ( 6.309 6.514 -6.144) 10.953 8.732 ( 3.465 -5.617 -4.864) 8.199 8.732 ( 3.465 5.617 -4.864) 8.199 9.023 ( -7.685 -4.769 -4.603) 10.149 9.023 ( -7.685 4.769 -4.603) 10.149 9.313 ( -2.579 -8.156 5.542) 10.192 9.313 ( -2.579 8.156 5.542) 10.192 9.678 ( -0.384 -2.631 -3.139) 4.114 9.678 ( -0.384 2.631 -3.139) 4.114 10.006 ( -0.258 -13.108 -3.582) 13.591 10.006 ( -0.258 13.108 -3.582) 13.591 10.090 ( 0.594 -6.419 -9.328) 11.339 10.090 ( 0.594 6.419 -9.328) 11.339 10.544 ( -11.736 -12.437 -7.607) 18.716 10.544 ( -11.736 12.437 -7.607) 18.716 10.896 ( -0.829 -11.428 -2.823) 11.801 10.896 ( -0.829 11.428 -2.822) 11.801 11.004 ( -2.252 -10.540 -1.496) 10.881 11.004 ( -2.252 10.540 -1.496) 10.881 11.258 ( -5.370 -9.311 -12.425) 16.429 11.258 ( -5.370 9.311 -12.425) 16.429 11.851 ( 7.584 -4.379 2.316) 9.058 11.851 ( 7.584 4.379 2.316) 9.058 12.013 ( 6.783 -11.089 2.419) 13.222 12.013 ( 6.783 11.089 2.419) 13.222 13.491 ( 2.670 -10.741 -1.824) 11.217 13.491 ( 2.670 10.741 -1.824) 11.217 13.847 ( -6.638 -9.681 1.144) 11.794 13.847 ( -6.638 9.681 1.144) 11.794 14.184 ( 10.689 -7.245 -2.446) 13.143 14.184 ( 10.689 7.245 -2.446) 13.143 14.898 ( 0.635 -6.895 8.813) 11.208 14.898 ( 0.635 6.895 8.813) 11.208 15.293 ( 0.676 -4.385 8.032) 9.176 15.293 ( 0.676 4.385 8.032) 9.176 15.432 ( -0.368 -10.973 3.479) 11.518 15.432 ( -0.368 10.973 3.479) 11.518 15.591 ( -10.023 -12.245 10.726) 19.116 15.591 ( -10.023 12.245 10.726) 19.116 16.070 ( -4.517 -2.978 3.587) 6.492 16.070 ( -4.517 2.978 3.587) 6.492 16.482 ( 5.716 -13.728 5.213) 15.758 16.482 ( 5.716 13.728 5.213) 15.758 16.652 ( -3.268 -10.045 7.042) 12.695 16.652 ( -3.268 10.045 7.042) 12.695 16.782 ( -1.243 -2.286 1.057) 2.808 16.782 ( -1.243 2.286 1.057) 2.808 17.008 ( 3.563 -5.706 9.617) 11.737 17.008 ( 3.563 5.706 9.617) 11.737 17.484 ( -2.168 -3.302 1.540) 4.240 17.484 ( -2.168 3.302 1.540) 4.240 17.779 ( -3.481 -4.901 -2.464) 6.497 17.779 ( -3.481 4.901 -2.464) 6.497 18.146 ( 14.198 -8.561 -11.461) 20.156 18.146 ( 14.198 8.561 -11.461) 20.156 18.941 ( -7.046 -3.308 -5.638) 9.611 18.941 ( -7.046 3.308 -5.638) 9.611 19.218 ( 4.718 -2.934 1.479) 5.750 19.218 ( 4.718 2.934 1.479) 5.750 19.802 ( -7.364 -3.495 -8.254) 11.601 19.802 ( -7.364 3.495 -8.254) 11.601 21.079 ( 6.116 -0.375 -0.921) 6.196 21.079 ( 6.116 0.375 -0.921) 6.196 21.365 ( -0.493 -2.308 -1.964) 3.070 21.365 ( -0.493 2.308 -1.964) 3.070 22.328 ( 8.227 -14.406 -22.491) 27.947 22.328 ( 8.227 14.406 -22.491) 27.947 23.670 ( -14.282 -11.358 -13.004) 22.407 23.670 ( -14.282 11.358 -13.004) 22.407 25.340 ( 1.769 -1.578 0.536) 2.430 25.340 ( 1.769 1.578 0.536) 2.430 25.385 ( 2.386 -1.313 4.672) 5.408 25.385 ( 2.386 1.313 4.672) 5.408 25.619 ( 1.356 -5.640 3.808) 6.939 25.619 ( 1.356 5.640 3.808) 6.939 25.853 ( -1.841 -6.808 -1.991) 7.328 25.853 ( -1.841 6.808 -1.991) 7.328 ======================= Grid point 172 (63/96) ======================= q-point: ( 0.33 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.725 ( 13.977 -21.463 18.029) 31.322 3.725 ( 13.977 21.463 18.029) 31.322 4.122 ( 11.453 -10.249 21.280) 26.250 4.122 ( 11.453 10.249 21.280) 26.250 4.493 ( -15.063 -7.824 9.119) 19.268 4.493 ( -15.063 7.824 9.119) 19.268 4.850 ( -13.262 -8.941 -0.909) 16.020 4.850 ( -13.262 8.941 -0.909) 16.020 5.329 ( -0.189 -4.250 12.812) 13.499 5.329 ( -0.189 4.250 12.812) 13.499 5.434 ( -3.086 -4.700 7.021) 8.994 5.434 ( -3.086 4.700 7.021) 8.994 5.821 ( 8.283 -4.994 3.678) 10.348 5.821 ( 8.283 4.994 3.678) 10.348 6.093 ( 2.161 -2.787 2.228) 4.172 6.093 ( 2.161 2.787 2.228) 4.172 6.452 ( -1.596 -0.663 5.998) 6.242 6.452 ( -1.596 0.663 5.998) 6.242 6.645 ( -1.507 -5.576 11.617) 12.973 6.645 ( -1.507 5.576 11.617) 12.973 7.039 ( -2.527 -2.842 -4.079) 5.577 7.039 ( -2.527 2.842 -4.079) 5.577 7.212 ( -5.108 -1.972 -4.752) 7.250 7.212 ( -5.108 1.972 -4.752) 7.250 7.613 ( 11.450 -9.219 -4.191) 15.286 7.613 ( 11.450 9.219 -4.191) 15.286 7.864 ( -2.086 -9.096 0.699) 9.359 7.864 ( -2.086 9.096 0.699) 9.359 8.129 ( 13.489 -4.334 -9.220) 16.905 8.129 ( 13.489 4.334 -9.220) 16.905 8.642 ( -3.351 -6.086 -6.196) 9.309 8.642 ( -3.351 6.086 -6.196) 9.309 8.805 ( 0.089 -8.346 2.432) 8.693 8.805 ( 0.089 8.346 2.432) 8.693 8.967 ( 9.117 -7.915 -8.373) 14.693 8.967 ( 9.117 7.915 -8.373) 14.693 9.203 ( -7.577 -4.362 2.807) 9.182 9.203 ( -7.577 4.362 2.807) 9.182 9.586 ( -10.113 -7.658 -1.432) 12.765 9.586 ( -10.113 7.658 -1.432) 12.765 10.061 ( 5.753 -13.157 -5.361) 15.328 10.061 ( 5.753 13.157 -5.361) 15.328 10.140 ( 5.006 -6.291 -8.829) 11.941 10.140 ( 5.006 6.291 -8.829) 11.941 10.358 ( -7.147 -8.376 -10.301) 15.078 10.358 ( -7.147 8.376 -10.301) 15.078 10.698 ( -16.434 -8.153 -8.307) 20.139 10.698 ( -16.434 8.153 -8.307) 20.139 11.037 ( 5.245 -14.490 -6.911) 16.889 11.037 ( 5.245 14.490 -6.911) 16.889 11.208 ( -2.440 -18.420 -6.338) 19.632 11.208 ( -2.440 18.420 -6.338) 19.632 11.975 ( 6.761 -6.477 0.824) 9.399 11.975 ( 6.761 6.477 0.824) 9.399 12.134 ( 3.194 -8.870 3.503) 10.058 12.134 ( 3.194 8.870 3.503) 10.058 13.566 ( 5.078 -10.166 2.257) 11.585 13.566 ( 5.078 10.166 2.257) 11.585 13.735 ( -4.836 -5.419 0.075) 7.264 13.735 ( -4.836 5.419 0.075) 7.264 14.381 ( 11.049 -8.349 -1.170) 13.898 14.381 ( 11.049 8.349 -1.170) 13.898 14.927 ( -5.120 -12.551 9.142) 16.350 14.927 ( -5.120 12.551 9.142) 16.350 15.210 ( -5.942 -9.605 16.022) 19.603 15.210 ( -5.942 9.605 16.022) 19.603 15.311 ( -2.144 -7.757 7.032) 10.687 15.311 ( -2.144 7.757 7.032) 10.687 15.604 ( 5.658 -9.480 0.260) 11.043 15.604 ( 5.658 9.480 0.260) 11.043 15.973 ( -8.058 -6.645 1.249) 10.519 15.973 ( -8.058 6.645 1.249) 10.519 16.495 ( -4.555 -6.802 -0.538) 8.204 16.495 ( -4.555 6.802 -0.538) 8.204 16.549 ( -0.676 -12.642 2.339) 12.875 16.549 ( -0.676 12.642 2.339) 12.875 16.897 ( 8.436 -6.904 9.364) 14.370 16.897 ( 8.436 6.904 9.364) 14.370 17.063 ( 1.532 -5.609 12.715) 13.981 17.063 ( 1.532 5.609 12.715) 13.981 17.479 ( 1.895 -3.333 -0.178) 3.838 17.479 ( 1.895 3.333 -0.178) 3.838 17.685 ( -6.488 -4.689 -2.549) 8.401 17.685 ( -6.488 4.689 -2.549) 8.401 18.417 ( 13.872 -7.169 -10.476) 18.804 18.417 ( 13.872 7.169 -10.476) 18.804 18.800 ( -7.974 -3.256 -7.286) 11.281 18.800 ( -7.974 3.256 -7.286) 11.281 19.315 ( 6.072 -0.856 -0.255) 6.137 19.315 ( 6.072 0.856 -0.256) 6.137 19.633 ( -10.114 -3.914 -5.507) 12.163 19.633 ( -10.114 3.914 -5.507) 12.163 21.202 ( 6.342 -0.617 -1.039) 6.456 21.202 ( 6.342 0.617 -1.039) 6.456 21.347 ( -1.672 -1.644 -1.731) 2.914 21.347 ( -1.672 1.644 -1.731) 2.914 22.557 ( 16.395 -15.169 -21.286) 30.855 22.557 ( 16.395 15.169 -21.286) 30.855 23.326 ( -21.543 -13.369 -15.555) 29.745 23.326 ( -21.543 13.369 -15.555) 29.745 25.381 ( 2.400 -1.717 1.045) 3.131 25.381 ( 2.400 1.717 1.045) 3.131 25.423 ( 1.110 -2.472 4.010) 4.839 25.423 ( 1.110 2.472 4.010) 4.839 25.660 ( 3.092 -6.504 3.753) 8.121 25.660 ( 3.092 6.504 3.753) 8.121 25.803 ( -3.490 -7.430 -0.375) 8.218 25.803 ( -3.490 7.430 -0.375) 8.218 ======================= Grid point 174 (64/96) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.027 ( -16.596 -14.770 15.366) 27.013 4.027 ( 10.818 -13.362 15.366) 23.058 4.027 ( -10.818 13.362 15.366) 23.058 4.027 ( 16.596 14.770 15.366) 27.013 4.547 ( -16.310 -12.895 6.860) 21.895 4.547 ( 10.634 -11.316 6.860) 16.976 4.547 ( -10.634 11.316 6.860) 16.976 4.547 ( 16.310 12.895 6.860) 21.895 5.368 ( -2.381 -8.252 10.086) 13.247 5.368 ( 1.331 -8.193 10.086) 13.062 5.368 ( -1.331 8.193 10.086) 13.062 5.368 ( 2.381 8.252 10.086) 13.247 6.008 ( -9.978 -4.762 1.319) 11.134 6.008 ( -2.985 -0.111 1.319) 3.266 6.008 ( 2.985 0.111 1.319) 3.266 6.008 ( 9.978 4.762 1.319) 11.134 6.536 ( -8.959 -1.838 9.490) 13.180 6.536 ( -8.957 1.836 9.490) 13.178 6.536 ( 8.957 -1.836 9.490) 13.178 6.536 ( 8.959 1.838 9.490) 13.180 7.089 ( -6.573 -2.917 -3.147) 7.850 7.089 ( -3.089 0.304 -3.147) 4.420 7.089 ( 3.089 -0.304 -3.147) 4.420 7.089 ( 6.573 2.917 -3.147) 7.850 7.784 ( -6.725 -9.567 -1.658) 11.811 7.784 ( 6.622 -9.549 -1.658) 11.738 7.784 ( -6.622 9.549 -1.658) 11.738 7.784 ( 6.725 9.567 -1.658) 11.811 8.413 ( -16.160 -2.605 -6.852) 17.745 8.413 ( -16.138 2.572 -6.852) 17.721 8.413 ( 16.138 -2.572 -6.852) 17.721 8.413 ( 16.160 2.605 -6.852) 17.745 8.930 ( -10.011 -7.341 2.228) 12.613 8.930 ( 3.319 -5.620 2.228) 6.897 8.930 ( -3.319 5.620 2.228) 6.897 8.930 ( 10.011 7.341 2.228) 12.613 9.329 ( -16.250 -11.423 -4.461) 20.358 9.329 ( 16.115 -11.375 -4.461) 20.223 9.329 ( -16.115 11.375 -4.461) 20.223 9.329 ( 16.250 11.423 -4.461) 20.358 10.160 ( -4.275 -11.997 -5.744) 13.971 10.160 ( 4.194 -11.990 -5.744) 13.941 10.160 ( -4.194 11.990 -5.744) 13.941 10.160 ( 4.275 11.997 -5.744) 13.971 10.410 ( -12.857 -11.797 -13.066) 21.799 10.410 ( 12.357 -11.663 -13.066) 21.434 10.410 ( -12.357 11.663 -13.066) 21.434 10.410 ( 12.857 11.797 -13.066) 21.799 11.138 ( -4.395 -21.695 -5.779) 22.878 11.138 ( 4.057 -21.679 -5.779) 22.800 11.138 ( -4.057 21.679 -5.779) 22.800 11.138 ( 4.395 21.695 -5.779) 22.878 12.100 ( -4.507 -6.979 1.882) 8.518 12.100 ( 1.449 -6.645 1.882) 7.056 12.100 ( -1.449 6.645 1.882) 7.056 12.100 ( 4.507 6.979 1.882) 8.518 13.657 ( -2.233 -14.590 1.550) 14.841 13.657 ( 1.160 -14.559 1.550) 14.687 13.657 ( -1.160 14.559 1.550) 14.687 13.657 ( 2.233 14.590 1.550) 14.841 14.642 ( -16.966 -6.142 5.518) 18.868 14.642 ( -11.779 0.663 5.518) 13.024 14.642 ( 11.779 -0.663 5.518) 13.024 14.642 ( 16.966 6.142 5.518) 18.868 15.264 ( -3.862 -10.744 12.095) 16.632 15.264 ( 3.303 -10.697 12.095) 16.481 15.264 ( -3.303 10.697 12.095) 16.481 15.264 ( 3.862 10.744 12.095) 16.632 15.765 ( -11.325 -9.925 -1.958) 15.185 15.765 ( 5.914 -8.671 -1.958) 10.677 15.765 ( -5.914 8.671 -1.958) 10.677 15.765 ( 11.325 9.925 -1.958) 15.185 16.502 ( -3.219 -11.470 2.469) 12.166 16.502 ( 3.043 -11.458 2.469) 12.110 16.502 ( -3.043 11.458 2.469) 12.110 16.502 ( 3.219 11.470 2.469) 12.166 17.031 ( -5.095 -6.386 10.993) 13.696 17.031 ( 5.066 -6.380 10.993) 13.683 17.031 ( -5.066 6.380 10.993) 13.683 17.031 ( 5.095 6.386 10.993) 13.696 17.559 ( -5.801 -4.880 -1.944) 7.826 17.559 ( 1.528 -3.998 -1.944) 4.701 17.559 ( -1.528 3.998 -1.944) 4.701 17.559 ( 5.801 4.880 -1.944) 7.826 18.638 ( -7.586 -8.858 -9.122) 14.806 18.638 ( -0.534 -8.009 -9.122) 12.151 18.638 ( 0.534 8.009 -9.122) 12.151 18.638 ( 7.586 8.858 -9.122) 14.806 19.453 ( -8.207 -3.210 -2.599) 9.188 19.453 ( -5.373 -0.827 -2.599) 6.025 19.453 ( 5.373 0.827 -2.599) 6.025 19.453 ( 8.207 3.210 -2.599) 9.188 21.297 ( -3.829 -0.890 -1.372) 4.164 21.297 ( -3.817 0.877 -1.372) 4.150 21.297 ( 3.817 -0.877 -1.372) 4.150 21.297 ( 3.829 0.890 -1.372) 4.164 22.916 ( -17.491 -23.176 -18.684) 34.527 22.916 ( 4.508 -21.581 -18.684) 28.899 22.916 ( -4.508 21.581 -18.684) 28.899 22.916 ( 17.491 23.176 -18.684) 34.527 25.419 ( -0.846 -4.691 2.539) 5.401 25.419 ( 0.542 -4.680 2.539) 5.352 25.419 ( -0.542 4.680 2.539) 5.352 25.419 ( 0.846 4.691 2.539) 5.401 25.730 ( -4.070 -7.590 2.010) 8.844 25.730 ( 3.830 -7.559 2.010) 8.709 25.730 ( -3.830 7.559 2.010) 8.709 25.730 ( 4.070 7.590 2.010) 8.844 ======================= Grid point 196 (65/96) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.739 ( 0.000 0.000 32.616) 32.616 3.855 ( 0.000 0.000 42.671) 42.671 4.552 ( 0.000 0.000 -5.023) 5.023 4.696 ( 0.000 0.000 17.190) 17.190 4.759 ( 0.000 0.000 7.641) 7.641 4.960 ( 0.000 0.000 7.184) 7.184 5.064 ( 0.000 0.000 -1.039) 1.039 5.099 ( 0.000 0.000 -4.016) 4.016 5.203 ( 0.000 0.000 -11.390) 11.390 5.280 ( 0.000 0.000 -10.499) 10.499 5.425 ( 0.000 0.000 7.819) 7.819 5.751 ( 0.000 0.000 0.803) 0.803 5.851 ( 0.000 0.000 0.536) 0.536 5.985 ( 0.000 0.000 11.977) 11.977 6.132 ( 0.000 0.000 -8.288) 8.288 6.307 ( 0.000 0.000 -6.601) 6.601 6.336 ( 0.000 0.000 -3.353) 3.353 6.374 ( 0.000 0.000 29.529) 29.529 6.471 ( 0.000 0.000 9.877) 9.877 6.569 ( 0.000 0.000 -10.072) 10.072 6.763 ( 0.000 0.000 -7.553) 7.553 7.013 ( 0.000 0.000 5.612) 5.612 7.072 ( 0.000 0.000 4.215) 4.215 7.256 ( 0.000 0.000 7.270) 7.270 7.386 ( 0.000 0.000 -3.016) 3.016 7.525 ( 0.000 0.000 5.762) 5.762 7.588 ( 0.000 0.000 -8.035) 8.035 7.752 ( 0.000 0.000 3.650) 3.650 7.944 ( 0.000 0.000 3.689) 3.689 8.148 ( 0.000 0.000 6.272) 6.272 8.181 ( 0.000 0.000 -22.830) 22.830 8.328 ( 0.000 0.000 -2.648) 2.648 8.490 ( 0.000 0.000 -10.697) 10.697 8.545 ( 0.000 0.000 -2.741) 2.741 8.633 ( 0.000 0.000 -13.382) 13.382 8.640 ( 0.000 0.000 -12.540) 12.540 9.068 ( 0.000 0.000 -10.347) 10.347 9.259 ( 0.000 0.000 -6.747) 6.747 9.499 ( 0.000 0.000 1.109) 1.109 9.618 ( 0.000 0.000 -4.179) 4.179 9.754 ( 0.000 0.000 5.485) 5.485 9.760 ( 0.000 0.000 11.959) 11.959 10.096 ( 0.000 0.000 -3.972) 3.972 10.117 ( 0.000 0.000 -0.608) 0.608 10.580 ( 0.000 0.000 -1.053) 1.053 10.600 ( 0.000 0.000 -5.970) 5.970 10.688 ( 0.000 0.000 -11.931) 11.931 10.890 ( 0.000 0.000 -11.316) 11.316 11.001 ( 0.000 0.000 -0.266) 0.266 11.244 ( 0.000 0.000 -4.383) 4.383 12.067 ( 0.000 0.000 -2.101) 2.101 12.081 ( 0.000 0.000 -3.911) 3.911 12.336 ( 0.000 0.000 8.741) 8.741 12.400 ( 0.000 0.000 6.035) 6.035 12.754 ( 0.000 0.000 8.178) 8.178 12.810 ( 0.000 0.000 20.180) 20.180 12.968 ( 0.000 0.000 6.867) 6.867 13.382 ( 0.000 0.000 -10.208) 10.208 13.474 ( 0.000 0.000 7.990) 7.990 13.655 ( 0.000 0.000 -15.344) 15.344 13.744 ( 0.000 0.000 -19.210) 19.210 13.753 ( 0.000 0.000 4.641) 4.641 14.255 ( 0.000 0.000 4.551) 4.551 14.635 ( 0.000 0.000 11.038) 11.038 14.897 ( 0.000 0.000 -12.204) 12.204 15.103 ( 0.000 0.000 -9.253) 9.253 15.386 ( 0.000 0.000 12.299) 12.299 15.646 ( 0.000 0.000 0.939) 0.939 15.840 ( 0.000 0.000 17.308) 17.308 16.046 ( 0.000 0.000 8.229) 8.229 16.205 ( 0.000 0.000 12.982) 12.982 16.303 ( 0.000 0.000 -3.774) 3.774 16.563 ( 0.000 0.000 11.650) 11.650 16.712 ( 0.000 0.000 -8.917) 8.917 16.726 ( 0.000 0.000 0.360) 0.360 16.769 ( 0.000 0.000 -8.639) 8.639 16.858 ( 0.000 0.000 -1.284) 1.284 17.034 ( 0.000 0.000 2.413) 2.413 17.183 ( 0.000 0.000 -4.043) 4.043 17.248 ( 0.000 0.000 -8.979) 8.979 17.447 ( 0.000 0.000 14.562) 14.562 17.453 ( 0.000 0.000 18.780) 18.780 17.514 ( 0.000 0.000 9.297) 9.297 17.851 ( 0.000 0.000 -3.844) 3.844 17.987 ( 0.000 0.000 1.445) 1.445 18.336 ( 0.000 0.000 -18.164) 18.164 18.483 ( 0.000 0.000 1.875) 1.875 18.733 ( 0.000 0.000 -6.682) 6.682 19.281 ( 0.000 0.000 13.593) 13.593 19.410 ( 0.000 0.000 0.266) 0.266 19.570 ( 0.000 0.000 -11.469) 11.469 19.888 ( 0.000 0.000 -11.681) 11.681 21.000 ( 0.000 0.000 -1.075) 1.075 21.002 ( 0.000 0.000 -0.673) 0.673 21.265 ( 0.000 0.000 0.194) 0.194 21.348 ( 0.000 0.000 -3.489) 3.489 21.400 ( 0.000 0.000 -1.757) 1.757 21.859 ( 0.000 0.000 -20.361) 20.361 23.962 ( 0.000 0.000 -0.161) 0.161 24.142 ( 0.000 0.000 -9.250) 9.250 24.989 ( 0.000 0.000 1.110) 1.110 25.105 ( 0.000 0.000 -4.147) 4.147 25.371 ( 0.000 0.000 6.205) 6.205 25.493 ( 0.000 0.000 0.587) 0.587 25.585 ( 0.000 0.000 5.743) 5.743 25.728 ( 0.000 0.000 -1.186) 1.186 25.831 ( 0.000 0.000 1.540) 1.540 26.005 ( 0.000 0.000 -7.369) 7.369 ======================= Grid point 197 (66/96) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.755 ( 1.799 0.000 29.637) 29.691 3.785 ( -4.976 0.000 39.394) 39.707 4.401 ( -13.219 0.000 -1.059) 13.262 4.593 ( -11.188 0.000 14.374) 18.215 4.899 ( 10.713 0.000 11.523) 15.734 4.963 ( 1.876 0.000 6.487) 6.753 5.057 ( -6.464 0.000 -14.310) 15.702 5.134 ( 2.013 0.000 -5.614) 5.964 5.174 ( 6.944 0.000 -0.094) 6.945 5.348 ( 3.108 0.000 -2.073) 3.736 5.427 ( 0.739 0.000 4.415) 4.476 5.742 ( -1.369 0.000 -0.222) 1.387 5.880 ( 3.105 0.000 1.534) 3.464 5.945 ( -3.330 0.000 9.965) 10.506 6.106 ( -2.490 0.000 -5.190) 5.757 6.205 ( -2.645 0.000 -6.211) 6.751 6.416 ( 1.249 0.000 -0.251) 1.274 6.447 ( 4.970 0.000 22.599) 23.139 6.501 ( 2.954 0.000 7.416) 7.983 6.553 ( -1.225 0.000 -9.230) 9.311 6.733 ( -2.707 0.000 -5.697) 6.308 7.043 ( 0.593 0.000 9.308) 9.327 7.056 ( 1.772 0.000 2.049) 2.709 7.116 ( -8.587 0.000 8.309) 11.949 7.596 ( 12.847 0.000 -0.001) 12.847 7.626 ( 8.967 0.000 4.480) 10.024 7.669 ( 5.884 0.000 -14.655) 15.792 7.773 ( 7.097 0.000 5.624) 9.055 8.009 ( 6.249 0.000 1.642) 6.462 8.154 ( -0.041 0.000 5.910) 5.910 8.181 ( 0.094 0.000 -21.067) 21.068 8.355 ( 2.528 0.000 -4.260) 4.953 8.409 ( -2.832 0.000 -12.314) 12.636 8.577 ( 2.786 0.000 -0.915) 2.932 8.611 ( -2.673 0.000 -12.244) 12.533 8.774 ( 8.917 0.000 -2.766) 9.336 9.089 ( 2.888 0.000 -6.902) 7.482 9.248 ( -0.228 0.000 -11.658) 11.661 9.253 ( -16.583 0.000 10.948) 19.871 9.628 ( -1.292 0.000 -9.993) 10.076 9.753 ( -0.991 0.000 4.482) 4.590 9.790 ( 0.634 0.000 -2.581) 2.658 10.031 ( -6.912 0.000 -3.224) 7.627 10.060 ( -10.716 0.000 -8.188) 13.487 10.480 ( -9.439 0.000 0.131) 9.440 10.588 ( -2.323 0.000 -3.110) 3.882 10.692 ( 9.987 0.000 2.970) 10.420 10.855 ( -10.843 0.000 -1.977) 11.022 11.116 ( 15.149 0.000 -6.639) 16.540 11.257 ( -1.979 0.000 -9.084) 9.297 11.929 ( -11.467 0.000 0.552) 11.481 12.064 ( -2.500 0.000 -10.456) 10.751 12.174 ( -14.204 0.000 5.391) 15.193 12.279 ( -7.054 0.000 2.416) 7.457 12.909 ( 8.922 0.000 18.483) 20.523 12.929 ( 4.659 0.000 3.656) 5.923 13.070 ( 13.233 0.000 6.102) 14.572 13.299 ( 0.006 0.000 1.500) 1.500 13.510 ( 0.343 0.000 5.912) 5.922 13.756 ( 2.041 0.000 9.985) 10.192 13.819 ( 9.256 0.000 -14.110) 16.875 13.856 ( 15.956 0.000 -13.070) 20.626 14.284 ( 2.349 0.000 -0.638) 2.434 14.729 ( 8.582 0.000 9.093) 12.504 14.856 ( -3.044 0.000 -11.457) 11.854 15.103 ( -2.858 0.000 -5.445) 6.150 15.317 ( -10.129 0.000 10.895) 14.876 15.540 ( -9.162 0.000 6.048) 10.978 15.821 ( 2.248 0.000 8.563) 8.853 15.858 ( -11.302 0.000 7.321) 13.466 16.139 ( -12.561 0.000 -5.154) 13.578 16.298 ( 1.074 0.000 4.574) 4.698 16.513 ( -6.907 0.000 -4.228) 8.099 16.746 ( 14.009 0.000 8.510) 16.392 16.836 ( -2.790 0.000 -3.032) 4.120 16.852 ( 6.216 0.000 3.353) 7.062 16.947 ( 9.568 0.000 -1.741) 9.725 16.973 ( -10.452 0.000 5.074) 11.619 17.048 ( -3.982 0.000 0.569) 4.022 17.245 ( 1.418 0.000 -4.084) 4.323 17.457 ( 3.787 0.000 13.583) 14.101 17.518 ( -0.461 0.000 7.267) 7.281 17.581 ( 6.664 0.000 10.156) 12.148 17.774 ( -6.958 0.000 -0.648) 6.988 18.022 ( 3.405 0.000 0.513) 3.444 18.313 ( -2.208 0.000 -17.116) 17.258 18.604 ( 10.215 0.000 -2.085) 10.425 18.778 ( 4.909 0.000 -7.412) 8.890 19.278 ( 0.154 0.000 13.014) 13.015 19.341 ( -6.284 0.000 -0.229) 6.289 19.508 ( -6.489 0.000 -10.262) 12.142 19.844 ( -4.810 0.000 -11.085) 12.084 21.058 ( 5.590 0.000 -0.746) 5.639 21.114 ( 11.408 0.000 -2.372) 11.652 21.269 ( 0.426 0.000 0.019) 0.427 21.341 ( -0.759 0.000 -3.157) 3.247 21.390 ( -1.115 0.000 -1.100) 1.567 21.863 ( -0.032 0.000 -19.746) 19.746 23.864 ( -8.984 0.000 -0.200) 8.986 24.059 ( -8.503 0.000 -9.853) 13.015 24.993 ( 0.536 0.000 0.739) 0.912 25.094 ( -1.112 0.000 -3.813) 3.972 25.416 ( 4.270 0.000 6.061) 7.414 25.519 ( 2.486 0.000 0.705) 2.584 25.591 ( 0.584 0.000 5.388) 5.420 25.708 ( -1.947 0.000 -0.689) 2.065 25.856 ( 2.574 0.000 1.152) 2.821 26.019 ( 1.034 0.000 -6.668) 6.747 ======================= Grid point 198 (67/96) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.760 ( 3.627 0.000 31.561) 31.769 3.813 ( 4.741 0.000 22.107) 22.610 4.147 ( -13.100 0.000 5.357) 14.153 4.280 ( -20.246 0.000 14.765) 25.058 4.968 ( 1.744 0.000 -4.934) 5.233 5.029 ( 5.058 0.000 7.122) 8.736 5.127 ( -1.605 0.000 -0.152) 1.612 5.173 ( 10.199 0.000 2.197) 10.433 5.224 ( -2.048 0.000 6.285) 6.610 5.391 ( 1.088 0.000 3.733) 3.888 5.481 ( 5.324 0.000 -5.484) 7.643 5.693 ( -3.976 0.000 -4.048) 5.674 5.922 ( 2.703 0.000 5.399) 6.038 5.951 ( 3.835 0.000 5.881) 7.020 6.054 ( -2.737 0.000 2.367) 3.619 6.221 ( 3.808 0.000 -7.212) 8.156 6.297 ( -11.152 0.000 -4.889) 12.177 6.477 ( -6.632 0.000 -7.026) 9.662 6.563 ( 3.404 0.000 0.000) 3.404 6.626 ( 11.458 0.000 20.467) 23.455 6.678 ( -3.066 0.000 -4.686) 5.599 6.985 ( -6.167 0.000 10.828) 12.461 7.065 ( 2.892 0.000 12.824) 13.146 7.114 ( 2.469 0.000 0.673) 2.559 7.657 ( 1.070 0.000 -4.665) 4.787 7.798 ( 0.316 0.000 -13.645) 13.649 7.801 ( 9.610 0.000 5.036) 10.849 7.973 ( 9.187 0.000 1.853) 9.372 8.095 ( 1.911 0.000 -2.002) 2.767 8.161 ( -4.213 0.000 -11.427) 12.179 8.270 ( 14.814 0.000 6.197) 16.058 8.401 ( 2.033 0.000 -6.930) 7.222 8.442 ( 5.487 0.000 -6.485) 8.494 8.523 ( -5.798 0.000 -8.897) 10.619 8.641 ( 4.233 0.000 5.901) 7.262 8.894 ( 3.000 0.000 3.037) 4.269 9.079 ( 0.446 0.000 2.228) 2.272 9.109 ( 0.130 0.000 0.470) 0.488 9.356 ( 10.748 0.000 -15.078) 18.516 9.523 ( -11.987 0.000 -13.970) 18.408 9.670 ( -8.961 0.000 3.419) 9.591 9.783 ( -0.776 0.000 -8.365) 8.400 9.846 ( -7.432 0.000 -11.500) 13.692 9.852 ( -11.011 0.000 -0.684) 11.032 10.313 ( -6.009 0.000 2.154) 6.383 10.467 ( -9.260 0.000 1.629) 9.402 10.760 ( 1.276 0.000 -14.410) 14.466 10.958 ( 15.152 0.000 12.873) 19.882 11.114 ( -12.875 0.000 -14.520) 19.406 11.324 ( 3.853 0.000 3.289) 5.066 11.751 ( -3.332 0.000 -4.109) 5.290 11.994 ( -4.478 0.000 3.229) 5.521 11.997 ( -5.250 0.000 -15.770) 16.621 12.116 ( -8.818 0.000 -2.503) 9.166 12.986 ( 3.050 0.000 3.147) 4.383 13.087 ( 9.662 0.000 15.999) 18.690 13.120 ( -3.241 0.000 -3.379) 4.682 13.426 ( -7.966 0.000 9.990) 12.778 13.605 ( 25.267 0.000 17.532) 30.754 13.848 ( 8.116 0.000 7.367) 10.961 14.092 ( 15.323 0.000 -9.419) 17.986 14.150 ( 12.419 0.000 -4.755) 13.298 14.285 ( -0.883 0.000 1.432) 1.683 14.789 ( -7.288 0.000 5.310) 9.017 14.878 ( 7.059 0.000 -8.436) 11.000 14.970 ( -6.566 0.000 -1.018) 6.644 14.996 ( -21.193 0.000 4.003) 21.567 15.378 ( -10.843 0.000 0.573) 10.859 15.784 ( 2.690 0.000 4.511) 5.252 15.898 ( 4.935 0.000 4.108) 6.421 16.003 ( -0.928 0.000 -6.508) 6.573 16.138 ( -10.616 0.000 -6.430) 12.411 16.558 ( 5.423 0.000 6.975) 8.835 16.704 ( -12.993 0.000 8.679) 15.626 16.755 ( -5.407 0.000 -0.502) 5.430 16.790 ( -7.827 0.000 3.042) 8.398 17.007 ( 10.603 0.000 5.593) 11.987 17.117 ( 4.782 0.000 -0.372) 4.796 17.122 ( 9.760 0.000 5.658) 11.281 17.318 ( 4.938 0.000 -3.950) 6.323 17.478 ( -3.396 0.000 8.173) 8.850 17.546 ( 5.227 0.000 11.975) 13.066 17.632 ( -7.839 0.000 1.045) 7.909 17.656 ( 1.192 0.000 8.730) 8.811 18.097 ( 4.454 0.000 -3.454) 5.636 18.263 ( -3.259 0.000 -13.770) 14.150 18.768 ( 7.098 0.000 -2.816) 7.636 18.884 ( 3.926 0.000 -7.916) 8.836 19.234 ( -3.792 0.000 -1.782) 4.190 19.327 ( 6.475 0.000 7.342) 9.789 19.358 ( -8.519 0.000 -7.668) 11.462 19.712 ( -9.319 0.000 -8.890) 12.879 21.177 ( 6.535 0.000 -0.752) 6.578 21.281 ( 0.857 0.000 -0.502) 0.993 21.322 ( -1.190 0.000 -2.321) 2.608 21.345 ( 0.729 0.000 -8.637) 8.668 21.392 ( 12.726 0.000 2.658) 13.000 21.828 ( -4.712 0.000 -16.323) 16.990 23.710 ( -5.590 0.000 -2.443) 6.101 23.866 ( -11.015 0.000 -9.876) 14.794 25.009 ( 1.138 0.000 -0.263) 1.168 25.067 ( -1.716 0.000 -2.889) 3.360 25.504 ( 4.629 0.000 5.662) 7.314 25.570 ( 2.524 0.000 0.862) 2.667 25.601 ( 0.331 0.000 4.863) 4.874 25.663 ( -2.705 0.000 0.444) 2.742 25.918 ( 3.834 0.000 -0.158) 3.838 26.024 ( -0.817 0.000 -4.817) 4.886 ======================= Grid point 199 (68/96) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.937 ( -15.128 0.000 21.726) 26.474 3.937 ( 15.128 0.000 21.726) 26.474 3.939 ( -9.063 0.000 13.212) 16.021 3.939 ( 9.063 0.000 13.212) 16.021 5.041 ( -5.407 0.000 -3.132) 6.248 5.041 ( 5.407 0.000 -3.132) 6.248 5.137 ( -6.073 0.000 7.665) 9.779 5.137 ( 6.073 0.000 7.665) 9.779 5.345 ( -6.446 0.000 6.641) 9.256 5.345 ( 6.446 0.000 6.641) 9.256 5.596 ( -6.247 0.000 -7.352) 9.648 5.596 ( 6.247 0.000 -7.352) 9.648 6.008 ( -2.492 0.000 7.836) 8.223 6.008 ( 2.492 0.000 7.836) 8.223 6.068 ( -11.939 0.000 -1.030) 11.983 6.068 ( 11.939 0.000 -1.030) 11.983 6.331 ( -7.691 0.000 -7.341) 10.633 6.331 ( 7.691 0.000 -7.341) 10.633 6.622 ( -3.008 0.000 -4.630) 5.521 6.622 ( 3.008 0.000 -4.630) 5.521 6.839 ( -10.223 0.000 14.446) 17.697 6.839 ( 10.223 0.000 14.446) 17.697 7.120 ( -1.932 0.000 6.878) 7.144 7.120 ( 1.932 0.000 6.878) 7.144 7.718 ( -5.383 0.000 -10.681) 11.960 7.718 ( 5.383 0.000 -10.681) 11.960 7.996 ( -11.462 0.000 2.888) 11.820 7.996 ( 11.462 0.000 2.888) 11.820 8.087 ( -3.460 0.000 1.125) 3.639 8.087 ( 3.460 0.000 1.125) 3.639 8.445 ( -3.030 0.000 -9.495) 9.967 8.445 ( 3.030 0.000 -9.495) 9.967 8.484 ( -4.792 0.000 -0.311) 4.802 8.484 ( 4.792 0.000 -0.311) 4.802 8.788 ( -11.367 0.000 4.803) 12.340 8.788 ( 11.367 0.000 4.803) 12.340 9.243 ( -14.792 0.000 -10.240) 17.990 9.243 ( 14.792 0.000 -10.240) 17.990 9.288 ( -16.449 0.000 3.391) 16.794 9.288 ( 16.449 0.000 3.391) 16.794 9.665 ( -9.490 0.000 -4.187) 10.372 9.665 ( 9.490 0.000 -4.187) 10.372 9.784 ( -1.168 0.000 -10.421) 10.486 9.784 ( 1.168 0.000 -10.421) 10.486 10.317 ( -5.857 0.000 -0.347) 5.867 10.317 ( 5.857 0.000 -0.347) 5.867 10.871 ( -10.665 0.000 -16.836) 19.929 10.871 ( 10.665 0.000 -16.836) 19.929 11.212 ( -12.005 0.000 12.209) 17.122 11.212 ( 12.005 0.000 12.209) 17.122 11.854 ( -9.625 0.000 -13.249) 16.376 11.854 ( 9.625 0.000 -13.249) 16.376 11.994 ( -3.791 0.000 -0.231) 3.798 11.994 ( 3.791 0.000 -0.231) 3.798 13.050 ( -3.834 0.000 0.303) 3.846 13.050 ( 3.834 0.000 0.303) 3.846 13.261 ( -9.274 0.000 14.146) 16.915 13.261 ( 9.274 0.000 14.146) 16.915 14.040 ( -11.381 0.000 -0.967) 11.422 14.040 ( 11.381 0.000 -0.967) 11.422 14.065 ( -21.127 0.000 14.083) 25.391 14.065 ( 21.127 0.000 14.083) 25.391 14.569 ( -22.935 0.000 4.256) 23.326 14.569 ( 22.935 0.000 4.256) 23.326 14.796 ( -11.097 0.000 -5.222) 12.264 14.796 ( 11.097 0.000 -5.222) 12.264 15.118 ( -15.578 0.000 -9.399) 18.194 15.118 ( 15.578 0.000 -9.399) 18.194 15.931 ( -9.580 0.000 2.149) 9.819 15.931 ( 9.580 0.000 2.149) 9.819 15.993 ( -5.716 0.000 0.483) 5.737 15.993 ( 5.716 0.000 0.483) 5.737 16.633 ( -5.867 0.000 3.061) 6.617 16.633 ( 5.867 0.000 3.061) 6.617 16.654 ( -5.234 0.000 3.683) 6.400 16.654 ( 5.234 0.000 3.683) 6.400 17.138 ( -3.025 0.000 2.139) 3.705 17.138 ( 3.025 0.000 2.139) 3.705 17.295 ( -7.832 0.000 4.816) 9.194 17.295 ( 7.832 0.000 4.816) 9.194 17.498 ( -6.136 0.000 1.810) 6.397 17.498 ( 6.136 0.000 1.810) 6.397 17.631 ( -3.461 0.000 10.760) 11.303 17.631 ( 3.461 0.000 10.760) 11.303 18.186 ( -4.941 0.000 -8.888) 10.170 18.186 ( 4.941 0.000 -8.888) 10.170 18.874 ( -4.040 0.000 -3.374) 5.264 18.874 ( 4.040 0.000 -3.374) 5.264 19.234 ( -3.926 0.000 -4.597) 6.045 19.234 ( 3.926 0.000 -4.597) 6.045 19.511 ( -11.733 0.000 -3.466) 12.234 19.511 ( 11.733 0.000 -3.466) 12.234 21.283 ( -4.754 0.000 -1.484) 4.981 21.283 ( 4.754 0.000 -1.484) 4.981 21.300 ( -1.179 0.000 -1.333) 1.780 21.300 ( 1.179 0.000 -1.333) 1.780 21.665 ( -12.823 0.000 -9.423) 15.913 21.665 ( 12.823 0.000 -9.423) 15.913 23.704 ( -5.068 0.000 -7.090) 8.715 23.704 ( 5.068 0.000 -7.090) 8.715 25.035 ( -1.647 0.000 -1.595) 2.293 25.035 ( 1.647 0.000 -1.595) 2.293 25.574 ( -2.548 0.000 4.600) 5.258 25.574 ( 2.548 0.000 4.600) 5.258 25.619 ( -1.862 0.000 1.437) 2.352 25.619 ( 1.862 0.000 1.437) 2.352 25.986 ( -3.150 0.000 -2.376) 3.946 25.986 ( 3.150 0.000 -2.376) 3.946 ======================= Grid point 203 (69/96) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.806 ( 0.000 5.283 32.993) 33.413 3.917 ( 0.000 6.048 39.574) 40.033 4.501 ( 0.000 -5.721 9.829) 11.373 4.565 ( 0.000 -6.326 11.451) 13.082 4.807 ( 0.000 2.313 -8.166) 8.487 4.953 ( 0.000 -5.374 10.489) 11.785 4.989 ( 0.000 -1.983 -3.606) 4.115 5.068 ( 0.000 -1.001 -7.449) 7.516 5.236 ( 0.000 2.505 -4.898) 5.501 5.335 ( 0.000 5.192 -5.992) 7.929 5.625 ( 0.000 14.742 5.025) 15.574 5.780 ( 0.000 -5.796 3.311) 6.675 5.813 ( 0.000 4.017 5.666) 6.945 5.921 ( 0.000 -4.340 14.207) 14.855 6.152 ( 0.000 4.362 -7.809) 8.945 6.358 ( 0.000 -0.959 22.179) 22.200 6.371 ( 0.000 1.042 -0.732) 1.273 6.454 ( 0.000 10.555 -3.622) 11.159 6.487 ( 0.000 5.153 -5.704) 7.687 6.645 ( 0.000 5.791 5.084) 7.706 6.834 ( 0.000 2.964 -5.113) 5.910 6.917 ( 0.000 -8.070 6.046) 10.083 7.019 ( 0.000 -0.572 -3.907) 3.948 7.244 ( 0.000 -1.622 6.386) 6.589 7.331 ( 0.000 -6.268 -2.452) 6.730 7.456 ( 0.000 -5.137 2.065) 5.537 7.696 ( 0.000 4.831 -6.730) 8.284 7.725 ( 0.000 -1.121 -2.014) 2.305 7.851 ( 0.000 -6.118 -6.523) 8.943 8.018 ( 0.000 -7.606 3.980) 8.584 8.100 ( 0.000 1.820 -2.881) 3.408 8.279 ( 0.000 -1.965 -6.096) 6.404 8.589 ( 0.000 4.359 -11.873) 12.648 8.674 ( 0.000 3.954 -13.023) 13.610 8.808 ( 0.000 16.754 -3.582) 17.133 8.957 ( 0.000 25.559 -8.750) 27.015 9.025 ( 0.000 -2.824 -5.347) 6.047 9.212 ( 0.000 -4.206 -3.804) 5.671 9.546 ( 0.000 3.575 0.708) 3.645 9.650 ( 0.000 1.047 -7.214) 7.290 9.762 ( 0.000 1.147 4.045) 4.205 9.767 ( 0.000 3.046 13.447) 13.788 10.126 ( 0.000 0.769 -1.950) 2.096 10.131 ( 0.000 2.981 -3.342) 4.478 10.437 ( 0.000 -13.034 -0.821) 13.060 10.476 ( 0.000 -4.315 -3.459) 5.530 10.814 ( 0.000 -6.369 -15.697) 16.940 10.828 ( 0.000 7.078 -12.581) 14.435 11.094 ( 0.000 5.397 -0.633) 5.434 11.195 ( 0.000 -5.132 -2.571) 5.740 11.824 ( 0.000 -19.839 0.972) 19.862 11.946 ( 0.000 -15.184 -6.249) 16.419 12.220 ( 0.000 -23.440 7.373) 24.572 12.246 ( 0.000 -10.122 5.529) 11.534 12.340 ( 0.000 -15.177 13.986) 20.639 12.431 ( 0.000 -24.206 4.082) 24.548 13.160 ( 0.000 -0.651 3.358) 3.420 13.486 ( 0.000 18.962 1.286) 19.006 13.489 ( 0.000 2.757 -2.261) 3.565 13.718 ( 0.000 1.022 -8.162) 8.225 14.003 ( 0.000 13.121 -3.427) 13.562 14.028 ( 0.000 23.112 -11.933) 26.011 14.526 ( 0.000 -5.435 12.976) 14.068 14.537 ( 0.000 25.061 9.604) 26.838 15.017 ( 0.000 -5.345 -8.268) 9.845 15.107 ( 0.000 15.703 -10.043) 18.640 15.456 ( 0.000 4.596 11.523) 12.406 15.570 ( 0.000 -4.456 5.012) 6.707 15.826 ( 0.000 1.535 13.344) 13.432 16.067 ( 0.000 -1.978 4.580) 4.989 16.255 ( 0.000 3.219 10.144) 10.642 16.273 ( 0.000 -6.748 0.366) 6.758 16.585 ( 0.000 4.606 9.480) 10.540 16.635 ( 0.000 -4.946 -7.134) 8.680 16.643 ( 0.000 -5.086 1.728) 5.372 16.775 ( 0.000 0.012 -11.702) 11.702 16.843 ( 0.000 -0.944 4.288) 4.391 17.108 ( 0.000 5.352 2.072) 5.739 17.186 ( 0.000 -6.514 -2.380) 6.935 17.251 ( 0.000 2.638 -0.904) 2.789 17.417 ( 0.000 -0.213 13.458) 13.460 17.488 ( 0.000 3.271 6.088) 6.911 17.535 ( 0.000 1.710 7.631) 7.821 17.833 ( 0.000 -2.176 -1.302) 2.536 17.907 ( 0.000 -6.130 0.652) 6.165 18.182 ( 0.000 -9.356 -9.042) 13.011 18.648 ( 0.000 10.126 -5.676) 11.608 18.779 ( 0.000 3.912 -6.447) 7.541 19.275 ( 0.000 -0.623 11.460) 11.477 19.366 ( 0.000 -4.035 1.018) 4.161 19.577 ( 0.000 0.689 -11.061) 11.083 19.852 ( 0.000 -3.637 -11.426) 11.991 20.999 ( 0.000 -0.028 -0.986) 0.987 21.000 ( 0.000 -0.148 -0.655) 0.672 21.272 ( 0.000 0.722 0.005) 0.722 21.385 ( 0.000 -0.516 -5.325) 5.350 21.449 ( 0.000 8.659 -0.852) 8.701 21.902 ( 0.000 3.704 -20.132) 20.470 23.836 ( 0.000 -10.713 0.296) 10.718 24.032 ( 0.000 -10.148 -9.636) 13.994 25.094 ( 0.000 8.962 0.539) 8.979 25.172 ( 0.000 5.721 -2.861) 6.396 25.385 ( 0.000 1.467 5.688) 5.874 25.482 ( 0.000 -1.027 1.016) 1.445 25.590 ( 0.000 0.507 5.251) 5.275 25.723 ( 0.000 -0.427 -1.534) 1.592 25.810 ( 0.000 -2.131 1.452) 2.579 25.973 ( 0.000 -3.223 -6.942) 7.653 ======================= Grid point 204 (70/96) ======================= q-point: ( 0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.748 ( -3.598 1.605 33.774) 34.003 3.932 ( 1.061 11.757 31.652) 33.781 4.428 ( -8.316 3.148 7.604) 11.699 4.627 ( 4.618 -16.445 8.504) 19.081 4.694 ( -12.277 7.380 4.533) 15.025 4.903 ( 1.214 -3.955 1.981) 4.587 5.055 ( 0.324 -6.660 -2.974) 7.301 5.092 ( 2.927 -5.775 -6.277) 9.018 5.229 ( 2.006 7.342 -4.350) 8.766 5.360 ( 1.846 1.918 -1.010) 2.848 5.595 ( -1.522 10.079 7.188) 12.473 5.808 ( -0.215 5.172 7.037) 8.736 5.824 ( 1.518 -2.506 3.044) 4.225 5.896 ( -0.245 -3.862 8.178) 9.048 6.098 ( -3.960 1.916 -6.120) 7.537 6.325 ( -6.358 -1.745 -6.792) 9.465 6.406 ( 3.456 4.038 10.301) 11.592 6.473 ( -0.165 1.976 -3.753) 4.245 6.494 ( 4.281 5.789 7.407) 10.330 6.638 ( -0.101 5.754 7.692) 9.606 6.813 ( -2.410 7.605 -5.032) 9.433 6.992 ( 6.750 -3.472 8.932) 11.721 7.054 ( 2.683 -0.891 -3.672) 4.634 7.095 ( -7.746 -1.446 8.703) 11.740 7.542 ( 10.475 -4.257 0.086) 11.307 7.578 ( 10.909 -4.309 -0.893) 11.763 7.677 ( 0.243 -5.042 -4.438) 6.722 7.797 ( 10.060 5.924 -8.139) 14.231 7.926 ( 5.415 -6.360 -2.496) 8.718 8.048 ( 6.093 -5.973 -6.085) 10.480 8.126 ( -0.602 -0.319 1.065) 1.264 8.310 ( 5.447 2.232 -5.677) 8.178 8.543 ( -2.118 3.950 -11.591) 12.427 8.727 ( -0.832 9.789 -3.178) 10.325 8.819 ( 2.126 8.732 -3.636) 9.695 8.886 ( -2.490 13.346 -5.770) 14.752 9.106 ( 4.317 6.365 -7.161) 10.509 9.129 ( -8.527 -5.567 -1.062) 10.239 9.392 ( -7.205 8.951 2.115) 11.684 9.637 ( -1.660 0.217 -8.835) 8.992 9.752 ( -1.384 0.098 3.145) 3.438 9.817 ( 0.021 2.876 -2.230) 3.639 10.050 ( -8.570 1.242 -1.973) 8.881 10.095 ( -5.444 2.811 -6.345) 8.821 10.448 ( -1.226 -3.397 1.537) 3.925 10.483 ( 1.379 -8.387 -0.272) 8.504 10.711 ( -4.446 1.559 -6.250) 7.826 10.782 ( -5.960 -6.847 -8.479) 12.421 11.074 ( 1.478 -3.248 -1.451) 3.852 11.285 ( 2.564 -1.561 -7.632) 8.201 11.733 ( -5.897 -16.577 0.712) 17.609 11.877 ( -11.902 -18.480 -5.213) 22.591 12.030 ( -5.034 -11.241 2.224) 12.516 12.182 ( -6.384 -14.206 -1.052) 15.610 12.400 ( 10.777 -18.984 13.704) 25.775 12.742 ( 11.084 -20.824 0.912) 23.608 13.149 ( 4.324 -1.953 8.419) 9.664 13.416 ( -1.311 11.103 1.834) 11.330 13.598 ( 7.422 11.592 3.498) 14.202 13.836 ( 8.433 1.718 -9.390) 12.737 14.053 ( 6.238 14.091 0.915) 15.437 14.115 ( 8.780 20.002 -8.093) 23.295 14.542 ( 1.477 21.958 3.863) 22.344 14.582 ( 3.836 -4.742 12.645) 14.039 14.956 ( -5.597 -0.792 -7.152) 9.117 15.122 ( -0.078 10.961 -5.976) 12.485 15.460 ( -0.678 7.671 9.653) 12.349 15.538 ( -6.205 3.333 4.246) 8.224 15.720 ( -4.378 -6.056 6.862) 10.146 15.848 ( -16.832 -0.760 5.151) 17.618 16.145 ( -7.951 -4.301 2.863) 9.482 16.351 ( 1.658 5.903 3.207) 6.919 16.469 ( -9.329 -4.498 -3.313) 10.873 16.682 ( -7.760 -7.966 -5.938) 12.607 16.723 ( 7.089 -11.509 3.391) 13.936 16.769 ( 9.644 1.189 2.129) 9.947 16.945 ( 9.422 2.117 9.138) 13.295 17.109 ( -2.718 4.663 4.039) 6.741 17.200 ( -4.410 11.573 -3.457) 12.858 17.239 ( 5.824 -0.401 -2.152) 6.222 17.396 ( 2.550 -4.246 14.917) 15.717 17.507 ( -0.987 -1.604 6.905) 7.158 17.587 ( 3.932 0.694 5.191) 6.549 17.783 ( -5.786 0.634 -0.601) 5.851 17.952 ( 5.558 -5.310 0.973) 7.748 18.236 ( 3.527 -6.221 -13.396) 15.185 18.670 ( 2.748 4.923 -4.085) 6.962 18.809 ( 2.666 2.349 -7.762) 8.536 19.260 ( -1.125 -1.512 9.148) 9.340 19.326 ( -3.202 -1.216 1.681) 3.816 19.519 ( -5.773 1.076 -9.395) 11.080 19.808 ( -4.731 -3.579 -10.627) 12.171 21.058 ( 5.613 -0.032 -0.703) 5.657 21.089 ( 8.456 -1.517 -1.567) 8.733 21.275 ( 0.299 0.611 -0.153) 0.697 21.376 ( -1.023 -0.579 -4.781) 4.924 21.470 ( 2.802 10.848 -1.025) 11.251 21.921 ( 1.691 5.300 -19.673) 20.444 23.726 ( -10.270 -11.984 0.127) 15.783 23.935 ( -9.865 -11.449 -10.240) 18.255 25.098 ( 0.563 9.023 0.431) 9.051 25.168 ( -0.424 6.339 -2.636) 6.878 25.431 ( 4.308 1.575 5.580) 7.224 25.508 ( 2.481 -1.004 1.116) 2.900 25.596 ( 0.575 0.473 4.875) 4.932 25.704 ( -2.002 -0.352 -0.985) 2.259 25.832 ( 2.322 -2.484 1.074) 3.565 25.985 ( 0.899 -3.416 -6.287) 7.211 ======================= Grid point 205 (71/96) ======================= q-point: ( 0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.750 ( 5.045 1.904 27.944) 28.459 3.965 ( 2.919 12.353 21.298) 24.793 4.241 ( -10.478 7.952 6.830) 14.821 4.326 ( -21.503 4.872 10.770) 24.538 4.785 ( 8.874 -15.435 6.112) 18.824 4.942 ( -0.561 -5.125 -1.172) 5.287 5.047 ( 2.727 -6.449 4.818) 8.499 5.170 ( 1.390 -5.945 -2.720) 6.684 5.255 ( 1.156 4.759 2.150) 5.349 5.387 ( 0.295 0.748 1.038) 1.313 5.597 ( 2.272 6.639 3.297) 7.752 5.762 ( -4.523 4.898 0.948) 6.734 5.852 ( 3.734 -4.541 6.872) 9.043 5.962 ( 5.412 0.026 4.113) 6.798 6.029 ( -3.755 0.283 -3.230) 4.961 6.199 ( -6.482 -7.321 -3.895) 10.526 6.409 ( -2.712 12.069 -4.823) 13.277 6.438 ( -3.183 0.900 -4.573) 5.644 6.630 ( 8.178 2.650 13.789) 16.249 6.680 ( 5.655 6.617 7.565) 11.532 6.764 ( -2.589 7.678 -4.112) 9.087 6.954 ( -5.905 -1.532 11.727) 13.219 7.109 ( 2.248 -0.465 -0.209) 2.305 7.120 ( 4.734 4.196 7.863) 10.092 7.550 ( -2.994 -7.715 -1.298) 8.376 7.666 ( 0.159 -4.527 -4.232) 6.199 7.911 ( 12.217 -1.595 -2.694) 12.612 7.969 ( 6.905 2.882 -3.118) 8.105 8.041 ( 5.197 -5.944 -7.785) 11.088 8.161 ( 11.968 -5.612 1.011) 13.257 8.242 ( 9.308 7.729 -7.459) 14.213 8.441 ( 5.698 5.854 -8.163) 11.549 8.534 ( 1.916 0.725 2.346) 3.115 8.648 ( -5.909 7.571 -0.400) 9.612 8.735 ( -7.588 11.335 -0.640) 13.655 8.908 ( -2.053 4.763 -1.039) 5.290 9.020 ( 0.673 -3.651 -2.488) 4.469 9.176 ( 7.053 0.894 -0.568) 7.132 9.395 ( 3.871 8.509 -7.089) 11.732 9.578 ( -5.721 4.899 -10.563) 12.973 9.671 ( -9.403 0.545 0.997) 9.472 9.737 ( -7.285 -3.910 -1.493) 8.402 9.877 ( -6.347 1.994 -6.169) 9.073 9.950 ( -7.832 7.151 -13.378) 17.071 10.356 ( -5.157 4.090 0.613) 6.610 10.437 ( -5.499 -1.964 -0.829) 5.898 10.710 ( 0.599 -4.912 -10.867) 11.941 10.782 ( 5.998 -15.375 0.968) 16.532 11.086 ( -1.378 -6.682 -0.433) 6.836 11.216 ( -7.084 -10.622 1.538) 12.860 11.680 ( -4.069 -8.718 -5.624) 11.144 11.694 ( -2.278 -19.852 -4.676) 20.522 12.010 ( -0.450 -3.140 -5.450) 6.306 12.039 ( -6.078 -7.601 -5.128) 11.000 12.583 ( 7.959 -17.029 9.235) 20.943 12.776 ( -3.098 -20.989 1.869) 21.299 13.346 ( 10.934 -6.079 8.228) 14.973 13.425 ( 1.612 8.178 3.201) 8.929 13.782 ( 13.080 14.638 9.196) 21.678 13.985 ( 7.684 4.814 3.957) 9.893 14.199 ( 7.560 15.554 4.115) 17.777 14.338 ( 14.725 10.647 -5.607) 19.017 14.537 ( -6.387 15.854 6.432) 18.262 14.599 ( -1.345 -4.898 2.526) 5.673 14.853 ( -5.011 2.657 -2.429) 6.170 15.104 ( 2.262 10.188 -4.970) 11.559 15.231 ( -19.582 19.507 0.722) 27.650 15.463 ( -6.265 7.328 0.495) 9.654 15.667 ( 0.457 -8.827 4.287) 9.823 15.737 ( 2.923 -11.619 2.171) 12.176 16.014 ( -5.722 -3.774 3.244) 7.583 16.139 ( -13.756 -0.142 -6.620) 15.266 16.518 ( 6.569 -2.346 3.015) 7.599 16.587 ( -2.015 -7.476 1.414) 7.871 16.755 ( -4.506 -4.532 4.493) 7.812 16.871 ( -0.195 -1.959 1.693) 2.597 17.033 ( 0.658 7.003 6.355) 9.479 17.149 ( 10.862 7.162 7.120) 14.831 17.194 ( 0.546 3.458 0.449) 3.530 17.352 ( 5.678 2.728 -3.826) 7.370 17.438 ( 1.843 -3.555 10.022) 10.792 17.508 ( 0.490 -3.629 10.415) 11.040 17.609 ( -2.503 -2.320 7.901) 8.607 17.660 ( -5.491 0.919 0.118) 5.569 18.079 ( 7.421 -0.598 -3.400) 8.185 18.263 ( -0.777 0.144 -12.994) 13.018 18.734 ( 3.363 -3.420 -4.027) 6.263 18.836 ( -0.720 -4.393 -7.949) 9.110 19.247 ( -0.368 1.378 -0.922) 1.699 19.327 ( 5.406 0.243 3.813) 6.620 19.392 ( -7.112 2.564 -5.175) 9.161 19.680 ( -8.843 -3.123 -8.237) 12.482 21.175 ( 6.365 -0.106 -0.841) 6.421 21.233 ( 5.142 -3.477 -2.033) 6.532 21.281 ( 0.268 0.052 -0.600) 0.659 21.344 ( -2.416 -0.540 -3.440) 4.238 21.589 ( 10.689 14.722 -3.197) 18.472 21.930 ( -2.018 9.835 -16.407) 19.236 23.541 ( -7.197 -15.425 -2.314) 17.178 23.711 ( -12.788 -14.450 -10.405) 21.922 25.115 ( 1.129 9.269 -0.088) 9.338 25.156 ( -0.848 7.786 -1.938) 8.069 25.517 ( 4.413 1.201 5.052) 6.815 25.560 ( 2.748 -0.838 1.165) 3.100 25.606 ( 0.319 0.418 4.190) 4.223 25.655 ( -3.083 -0.621 0.545) 3.192 25.889 ( 3.614 -2.930 -0.159) 4.655 25.989 ( -0.777 -3.548 -4.520) 5.798 ======================= Grid point 206 (72/96) ======================= q-point: (-0.50 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.942 ( -14.011 3.644 18.645) 23.606 3.942 ( 14.011 3.644 18.645) 23.606 4.080 ( -5.187 10.440 12.274) 16.927 4.080 ( 5.187 10.440 12.274) 16.927 4.914 ( -3.517 -10.453 2.969) 11.421 4.914 ( 3.517 -10.453 2.969) 11.421 5.104 ( -4.658 -4.936 3.674) 7.718 5.104 ( 4.658 -4.936 3.674) 7.718 5.340 ( -5.266 1.255 2.598) 6.005 5.340 ( 5.266 1.255 2.598) 6.005 5.671 ( -4.946 3.743 -0.234) 6.208 5.671 ( 4.946 3.743 -0.234) 6.208 5.946 ( -5.321 -2.945 3.265) 6.903 5.946 ( 5.321 -2.945 3.265) 6.903 6.074 ( -6.809 -1.730 -0.567) 7.048 6.074 ( 6.809 -1.730 -0.567) 7.048 6.387 ( -1.334 7.191 -3.575) 8.141 6.387 ( 1.334 7.191 -3.575) 8.141 6.714 ( -2.829 7.689 -3.255) 8.816 6.714 ( 2.829 7.689 -3.255) 8.816 6.840 ( -7.825 0.417 13.808) 15.876 6.840 ( 7.825 0.417 13.808) 15.876 7.142 ( -1.433 1.264 4.985) 5.339 7.142 ( 1.433 1.264 4.985) 5.339 7.581 ( -5.873 -6.593 -5.538) 10.422 7.581 ( 5.873 -6.593 -5.538) 10.422 8.020 ( -1.985 -3.017 0.451) 3.639 8.020 ( 1.985 -3.017 0.451) 3.639 8.218 ( -10.891 9.679 -2.346) 14.758 8.218 ( 10.891 9.679 -2.346) 14.758 8.396 ( -9.591 -1.788 -3.663) 10.421 8.396 ( 9.591 -1.788 -3.663) 10.421 8.598 ( -4.521 9.345 -6.227) 12.106 8.598 ( 4.521 9.345 -6.227) 12.106 8.742 ( -12.008 -1.976 2.137) 12.355 8.742 ( 12.008 -1.976 2.137) 12.355 9.236 ( -17.692 -1.665 2.581) 17.957 9.236 ( 17.692 -1.665 2.581) 17.957 9.384 ( -12.569 8.435 -3.044) 15.440 9.384 ( 12.569 8.435 -3.044) 15.440 9.624 ( -5.124 -0.497 -5.673) 7.661 9.624 ( 5.124 -0.497 -5.673) 7.661 9.854 ( -2.663 3.050 -13.264) 13.868 9.854 ( 2.663 3.050 -13.264) 13.868 10.341 ( -3.422 2.915 -1.077) 4.622 10.341 ( 3.422 2.915 -1.077) 4.622 10.778 ( -5.269 -9.384 -12.300) 16.343 10.778 ( 5.269 -9.384 -12.300) 16.343 11.105 ( -4.859 -11.496 9.509) 15.690 11.105 ( 4.859 -11.496 9.509) 15.690 11.657 ( -2.080 -15.906 -7.884) 17.874 11.657 ( 2.080 -15.906 -7.884) 17.874 11.999 ( -1.068 0.127 -6.144) 6.237 11.999 ( 1.068 0.127 -6.144) 6.237 12.698 ( -5.033 -19.905 5.659) 21.297 12.698 ( 5.033 -19.905 5.659) 21.297 13.445 ( -0.642 2.422 3.487) 4.294 13.445 ( 0.642 2.422 3.487) 4.294 14.030 ( -7.439 9.530 14.970) 19.242 14.030 ( 7.439 9.530 14.970) 19.242 14.327 ( -9.150 13.710 8.282) 18.446 14.327 ( 9.150 13.710 8.282) 18.446 14.556 ( -6.958 -5.932 -6.336) 11.124 14.556 ( 6.958 -5.932 -6.336) 11.124 14.889 ( -13.914 18.389 -0.564) 23.066 14.889 ( 13.914 18.389 -0.564) 23.066 15.269 ( -12.775 11.359 -7.881) 18.823 15.269 ( 12.775 11.359 -7.881) 18.823 15.745 ( -4.704 -12.459 2.851) 13.619 15.745 ( 4.704 -12.459 2.851) 13.619 15.973 ( -3.863 -4.558 1.540) 6.170 15.973 ( 3.863 -4.558 1.540) 6.170 16.588 ( -2.152 -3.586 4.220) 5.941 16.588 ( 2.152 -3.586 4.220) 5.941 16.755 ( -7.599 3.618 0.165) 8.418 16.755 ( 7.599 3.618 0.165) 8.418 17.128 ( -5.720 1.403 3.849) 7.036 17.128 ( 5.720 1.403 3.849) 7.036 17.351 ( -8.058 4.152 4.380) 10.067 17.351 ( 8.058 4.152 4.380) 10.067 17.478 ( -3.122 -2.302 4.926) 6.270 17.478 ( 3.122 -2.302 4.926) 6.270 17.592 ( -3.095 -2.900 7.198) 8.354 17.592 ( 3.095 -2.900 7.198) 8.354 18.204 ( -5.478 2.328 -8.326) 10.235 18.204 ( 5.478 2.328 -8.326) 10.235 18.792 ( -3.163 -7.167 -5.716) 9.698 18.792 ( 3.163 -7.167 -5.716) 9.698 19.280 ( -4.225 3.583 -2.974) 6.288 19.280 ( 4.225 3.583 -2.974) 6.288 19.494 ( -10.700 -1.706 -3.354) 11.342 19.494 ( 10.700 -1.706 -3.354) 11.342 21.270 ( -2.288 -1.138 -1.143) 2.799 21.270 ( 2.288 -1.138 -1.143) 2.799 21.289 ( -2.396 -0.552 -1.962) 3.145 21.289 ( 2.396 -0.552 -1.962) 3.145 21.811 ( -10.782 13.800 -9.254) 19.807 21.811 ( 10.782 13.800 -9.254) 19.807 23.524 ( -5.645 -16.934 -7.521) 19.370 23.524 ( 5.645 -16.934 -7.521) 19.370 25.137 ( -1.176 8.997 -0.969) 9.125 25.137 ( 1.176 8.997 -0.969) 9.125 25.587 ( -2.476 1.120 2.926) 3.993 25.587 ( 2.476 1.120 2.926) 3.993 25.604 ( -0.985 -1.290 2.634) 3.094 25.604 ( 0.985 -1.290 2.634) 3.094 25.953 ( -2.957 -3.318 -2.206) 4.962 25.953 ( 2.957 -3.318 -2.206) 4.962 ======================= Grid point 210 (73/96) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.891 ( 0.000 3.639 29.739) 29.961 4.041 ( 0.000 3.543 28.309) 28.529 4.372 ( 0.000 -3.635 24.427) 24.696 4.535 ( 0.000 0.816 11.738) 11.766 4.796 ( 0.000 -1.543 -13.201) 13.291 4.814 ( 0.000 -6.753 6.760) 9.555 5.022 ( 0.000 1.457 -6.053) 6.226 5.038 ( 0.000 -1.825 -8.524) 8.717 5.350 ( 0.000 9.845 1.229) 9.921 5.461 ( 0.000 7.162 0.758) 7.202 5.685 ( 0.000 -2.795 7.894) 8.374 5.749 ( 0.000 -2.661 6.876) 7.373 5.840 ( 0.000 -1.676 10.339) 10.474 5.896 ( 0.000 -0.615 10.367) 10.385 6.269 ( 0.000 -4.060 13.623) 14.215 6.355 ( 0.000 13.679 -5.499) 14.743 6.391 ( 0.000 0.617 3.254) 3.312 6.544 ( 0.000 -1.528 -1.545) 2.173 6.637 ( 0.000 3.656 9.340) 10.030 6.764 ( 0.000 5.709 -12.204) 13.474 6.799 ( 0.000 8.047 -8.450) 11.668 6.995 ( 0.000 -2.264 1.869) 2.935 7.065 ( 0.000 11.403 -1.203) 11.466 7.154 ( 0.000 -7.511 -5.289) 9.186 7.191 ( 0.000 -3.426 5.476) 6.459 7.310 ( 0.000 -8.175 -11.930) 14.462 7.643 ( 0.000 -4.455 5.626) 7.176 7.709 ( 0.000 -8.923 -10.523) 13.796 7.831 ( 0.000 7.327 -1.856) 7.558 8.094 ( 0.000 -4.121 2.249) 4.695 8.105 ( 0.000 10.474 -3.604) 11.077 8.317 ( 0.000 6.449 -7.271) 9.719 8.593 ( 0.000 -1.293 -11.092) 11.167 8.771 ( 0.000 4.264 -5.738) 7.148 8.995 ( 0.000 1.968 -0.750) 2.106 9.091 ( 0.000 -5.129 -3.442) 6.177 9.192 ( 0.000 17.455 3.436) 17.790 9.373 ( 0.000 13.464 -5.045) 14.378 9.585 ( 0.000 -0.184 0.652) 0.678 9.618 ( 0.000 -3.606 -2.483) 4.379 9.822 ( 0.000 5.317 -0.670) 5.359 9.879 ( 0.000 5.376 6.758) 8.636 10.109 ( 0.000 -8.283 5.743) 10.079 10.112 ( 0.000 -3.885 -3.896) 5.502 10.324 ( 0.000 7.520 -12.046) 14.201 10.461 ( 0.000 2.707 -6.494) 7.036 10.664 ( 0.000 -7.522 -15.387) 17.128 10.844 ( 0.000 -8.123 -17.707) 19.481 11.088 ( 0.000 -1.776 4.684) 5.010 11.133 ( 0.000 -2.135 0.360) 2.165 11.454 ( 0.000 -16.460 1.539) 16.532 11.532 ( 0.000 -19.487 1.936) 19.582 11.900 ( 0.000 -9.932 3.645) 10.579 11.989 ( 0.000 -13.091 4.171) 13.739 12.046 ( 0.000 -12.898 0.479) 12.907 12.082 ( 0.000 -11.393 4.087) 12.103 13.246 ( 0.000 8.807 2.122) 9.059 13.607 ( 0.000 8.354 -7.723) 11.377 13.648 ( 0.000 -6.998 1.633) 7.186 13.808 ( 0.000 11.590 -1.927) 11.749 14.114 ( 0.000 -1.211 0.919) 1.520 14.249 ( 0.000 -2.206 -1.513) 2.675 14.713 ( 0.000 24.172 5.349) 24.756 14.942 ( 0.000 13.285 5.909) 14.540 15.059 ( 0.000 8.791 -3.307) 9.393 15.267 ( 0.000 -0.755 -4.048) 4.118 15.533 ( 0.000 0.167 9.481) 9.482 15.606 ( 0.000 6.060 6.147) 8.632 15.900 ( 0.000 -9.297 5.346) 10.724 15.966 ( 0.000 10.948 7.740) 13.408 16.098 ( 0.000 -5.083 3.315) 6.069 16.265 ( 0.000 -1.772 3.877) 4.263 16.575 ( 0.000 -3.503 1.612) 3.856 16.581 ( 0.000 -0.002 -8.029) 8.029 16.721 ( 0.000 6.830 9.670) 11.839 16.767 ( 0.000 -1.662 -4.960) 5.231 16.883 ( 0.000 5.688 5.555) 7.951 16.966 ( 0.000 -15.594 1.749) 15.692 17.139 ( 0.000 -9.705 10.122) 14.023 17.173 ( 0.000 0.034 5.041) 5.041 17.542 ( 0.000 1.882 -1.746) 2.567 17.554 ( 0.000 8.930 -1.064) 8.993 17.566 ( 0.000 2.144 3.261) 3.903 17.780 ( 0.000 -1.445 3.420) 3.713 17.834 ( 0.000 -1.310 -2.454) 2.782 18.019 ( 0.000 -7.496 -4.143) 8.565 18.810 ( 0.000 6.016 -7.134) 9.332 18.851 ( 0.000 2.870 -6.400) 7.014 19.259 ( 0.000 -0.929 7.637) 7.694 19.284 ( 0.000 -3.526 2.996) 4.627 19.599 ( 0.000 1.788 -10.501) 10.653 19.758 ( 0.000 -5.540 -10.881) 12.210 20.998 ( 0.000 -0.041 -0.610) 0.611 20.999 ( 0.000 -0.035 -0.780) 0.781 21.293 ( 0.000 1.477 -0.606) 1.596 21.361 ( 0.000 -1.610 -3.030) 3.431 21.668 ( 0.000 12.509 -5.945) 13.850 21.958 ( 0.000 0.579 -17.967) 17.976 23.646 ( 0.000 -6.609 -0.955) 6.678 23.805 ( 0.000 -11.757 -9.023) 14.821 25.265 ( 0.000 7.184 0.129) 7.185 25.279 ( 0.000 4.452 -0.429) 4.472 25.427 ( 0.000 2.458 4.743) 5.343 25.459 ( 0.000 -1.007 2.517) 2.711 25.609 ( 0.000 1.593 3.686) 4.015 25.714 ( 0.000 -1.001 -2.065) 2.295 25.760 ( 0.000 -1.839 0.434) 1.889 25.888 ( 0.000 -5.142 -5.926) 7.846 ======================= Grid point 211 (74/96) ======================= q-point: ( 0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.822 ( -2.799 6.193 28.228) 29.035 4.177 ( 9.173 8.541 27.006) 29.772 4.310 ( -3.233 -10.676 12.463) 16.726 4.512 ( -1.675 3.539 14.103) 14.637 4.825 ( -9.397 1.062 -0.259) 9.460 4.863 ( -2.376 -0.830 2.889) 3.832 4.903 ( 4.872 -4.067 -3.971) 7.487 4.984 ( -6.097 -5.076 -8.510) 11.634 5.359 ( 1.081 6.995 -0.723) 7.115 5.434 ( -1.903 5.141 0.392) 5.495 5.642 ( 0.509 -1.201 11.302) 11.377 5.756 ( -7.201 -6.048 11.313) 14.711 5.847 ( 5.228 -0.433 4.444) 6.876 5.956 ( 5.710 3.011 3.406) 7.299 6.130 ( -14.883 -2.373 0.001) 15.071 6.173 ( -6.262 -2.070 3.307) 7.378 6.516 ( 5.661 3.925 6.927) 9.769 6.525 ( -1.275 2.320 -0.746) 2.750 6.679 ( 1.178 9.832 -6.052) 11.605 6.755 ( 4.510 5.303 3.058) 7.603 6.959 ( 0.937 3.806 6.603) 7.679 7.008 ( 8.093 0.862 1.342) 8.249 7.037 ( -2.206 6.839 -1.561) 7.353 7.109 ( 1.182 4.358 0.770) 4.581 7.434 ( 15.097 -7.435 -2.697) 17.043 7.461 ( 14.352 -8.133 -10.980) 19.816 7.556 ( -4.310 -3.333 -0.802) 5.507 7.773 ( 4.147 -9.572 -8.462) 13.432 7.879 ( 5.138 3.827 -2.258) 6.793 8.077 ( -2.701 -2.358 1.244) 3.795 8.170 ( 9.698 10.616 -5.029) 15.232 8.414 ( 8.893 6.023 -6.785) 12.704 8.580 ( -0.701 1.790 -7.230) 7.481 8.807 ( 2.472 1.906 -4.627) 5.581 8.925 ( -5.447 -1.007 -0.096) 5.540 9.010 ( -6.620 -3.615 -2.685) 8.006 9.148 ( -5.231 16.927 4.740) 18.340 9.402 ( -0.441 13.460 -2.884) 13.772 9.561 ( -0.232 5.393 -3.234) 6.293 9.631 ( 2.214 -0.912 -3.281) 4.061 9.791 ( -3.347 5.621 -0.230) 6.546 9.871 ( -7.086 1.691 -4.649) 8.642 10.045 ( -6.747 -2.635 4.925) 8.759 10.091 ( 1.430 -4.691 -1.587) 5.154 10.310 ( 0.361 -4.135 -5.877) 7.195 10.447 ( -1.534 0.430 -7.478) 7.646 10.613 ( -4.691 -7.500 -11.914) 14.839 10.755 ( -10.923 1.667 -14.668) 18.364 11.008 ( -6.873 -0.715 2.548) 7.365 11.105 ( -2.179 -13.695 -2.719) 14.131 11.330 ( -11.269 -22.826 3.399) 25.682 11.519 ( -1.902 -16.672 -3.259) 17.094 11.904 ( 4.397 1.889 2.480) 5.390 11.919 ( -1.421 -7.820 -0.941) 8.003 12.113 ( 11.317 -13.583 8.472) 19.604 12.357 ( 11.003 -17.883 0.235) 20.998 13.254 ( 2.802 11.323 4.846) 12.631 13.573 ( -2.966 8.161 -3.790) 9.474 13.741 ( 9.335 -3.064 3.685) 10.494 13.942 ( 8.406 11.037 -1.833) 13.994 14.061 ( -0.499 -9.955 -1.524) 10.084 14.269 ( 2.846 -4.164 -4.890) 7.025 14.779 ( 5.218 21.980 8.834) 24.257 14.959 ( 1.196 14.765 4.373) 15.445 15.066 ( 2.753 13.106 -1.428) 13.468 15.338 ( 4.102 5.138 -4.057) 7.725 15.485 ( -3.610 1.271 11.815) 12.419 15.603 ( -2.781 3.507 6.424) 7.829 15.743 ( -9.564 -4.146 5.900) 11.978 15.928 ( -8.302 14.864 -0.600) 17.036 15.999 ( -9.013 -6.335 6.154) 12.619 16.298 ( -0.275 -8.124 2.370) 8.467 16.467 ( -8.337 -8.078 4.045) 12.293 16.507 ( -7.939 3.194 -6.075) 10.494 16.585 ( -3.931 -4.757 -5.054) 7.977 16.771 ( -0.555 -4.275 -0.021) 4.311 16.954 ( 12.026 -0.525 9.668) 15.439 17.159 ( 2.887 -7.401 7.993) 11.269 17.167 ( 7.640 -0.131 9.096) 11.880 17.234 ( 5.802 -2.430 3.482) 7.190 17.479 ( -2.231 5.622 1.816) 6.315 17.501 ( -3.940 3.646 4.891) 7.262 17.618 ( 1.221 3.413 -0.973) 3.753 17.786 ( -4.754 -1.126 -1.910) 5.245 17.900 ( 10.536 1.388 0.176) 10.628 18.110 ( 8.507 -6.398 -8.604) 13.687 18.751 ( -4.891 3.133 -5.381) 7.918 18.832 ( -3.324 -0.506 -7.785) 8.480 19.244 ( 0.318 0.388 5.080) 5.105 19.302 ( 0.861 -1.271 3.158) 3.512 19.549 ( -4.906 2.135 -8.832) 10.326 19.715 ( -4.509 -5.498 -9.704) 12.030 21.058 ( 5.721 0.063 -0.608) 5.754 21.069 ( 6.601 -0.612 -0.988) 6.703 21.293 ( -0.044 1.302 -0.715) 1.486 21.354 ( -0.807 -1.445 -2.965) 3.395 21.726 ( 6.581 14.149 -5.760) 16.633 22.017 ( 6.238 2.662 -17.910) 19.151 23.503 ( -14.127 -8.375 -1.096) 16.459 23.676 ( -13.109 -13.550 -9.747) 21.224 25.272 ( 1.016 7.115 0.351) 7.196 25.291 ( 1.143 5.542 -0.472) 5.678 25.470 ( 3.272 1.487 4.643) 5.872 25.490 ( 3.278 -0.112 3.153) 4.550 25.613 ( 0.406 1.561 3.067) 3.465 25.707 ( -1.365 1.006 -2.527) 3.043 25.765 ( 1.237 -3.924 1.025) 4.240 25.894 ( 0.382 -5.657 -5.408) 7.836 ======================= Grid point 212 (75/96) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.851 ( 6.546 8.392 22.172) 24.594 4.223 ( 0.200 9.160 13.317) 16.165 4.345 ( -2.352 1.086 6.769) 7.248 4.457 ( -16.710 5.897 6.821) 18.987 4.554 ( 4.823 -1.567 15.082) 15.911 4.806 ( -6.049 -8.953 -1.117) 10.863 4.909 ( 0.871 -6.746 8.368) 10.784 5.019 ( 1.363 -7.909 -2.038) 8.280 5.373 ( 0.058 6.482 0.843) 6.536 5.415 ( -0.534 2.534 1.113) 2.818 5.612 ( -2.450 -4.681 7.446) 9.130 5.710 ( -0.485 -7.056 4.185) 8.218 5.889 ( -3.785 1.820 6.174) 7.467 5.954 ( 4.031 0.619 1.553) 4.364 6.033 ( -0.035 0.737 -2.702) 2.801 6.103 ( -1.821 -0.856 -2.234) 3.007 6.510 ( 0.531 5.366 2.529) 5.956 6.636 ( 4.629 5.912 4.600) 8.806 6.682 ( 0.874 5.866 2.058) 6.278 6.803 ( 1.557 4.493 8.486) 9.727 6.937 ( -1.140 2.687 6.715) 7.322 6.966 ( -3.295 9.057 -0.633) 9.658 7.082 ( -0.702 -1.176 -2.441) 2.799 7.222 ( 2.454 3.932 6.203) 7.743 7.447 ( 1.004 -1.230 -0.404) 1.638 7.627 ( 2.982 -0.279 -5.772) 6.503 7.800 ( 12.605 -7.121 -2.503) 14.692 7.890 ( 10.870 -7.159 -10.037) 16.437 8.021 ( 0.755 -0.193 -0.677) 1.032 8.062 ( 13.270 -4.616 -5.336) 15.029 8.411 ( 9.080 6.409 -4.566) 12.016 8.546 ( 2.526 3.358 -8.373) 9.369 8.632 ( 9.132 9.819 -0.607) 13.423 8.696 ( -10.478 2.605 2.589) 11.103 8.919 ( -2.116 4.645 1.831) 5.423 8.954 ( 3.996 -1.173 -0.083) 4.165 9.101 ( 5.832 5.725 -3.905) 9.057 9.256 ( -13.508 14.959 -3.964) 20.541 9.511 ( -12.672 -4.646 7.335) 15.361 9.652 ( -2.356 -2.176 -1.929) 3.743 9.695 ( -3.131 3.419 -4.519) 6.474 9.768 ( 2.322 12.600 -9.861) 16.168 9.917 ( -6.158 3.919 -7.337) 10.349 10.074 ( -7.460 5.345 -10.839) 14.202 10.369 ( 1.525 -8.478 -0.810) 8.652 10.396 ( -7.437 -5.381 -8.089) 12.235 10.415 ( -3.722 -18.758 -6.393) 20.164 10.633 ( -1.986 -0.524 -10.716) 10.912 10.872 ( -5.650 -9.181 4.009) 11.501 11.010 ( -7.612 -5.982 3.537) 10.307 11.250 ( 2.842 -22.054 -4.657) 22.718 11.459 ( -5.171 -14.649 -9.303) 18.107 11.933 ( 3.661 0.033 0.455) 3.690 12.015 ( 4.758 4.263 -0.965) 6.461 12.302 ( 7.186 -14.259 6.278) 17.157 12.432 ( -1.686 -14.705 1.720) 14.901 13.356 ( 6.808 8.690 4.871) 12.066 13.519 ( -2.622 5.619 -0.693) 6.239 13.917 ( 6.761 -7.019 3.238) 10.269 14.024 ( 5.176 -10.229 7.616) 13.764 14.189 ( 11.415 3.381 -3.888) 12.524 14.408 ( 11.860 -1.001 -5.628) 13.166 14.813 ( -4.629 23.149 15.530) 28.258 14.954 ( -5.531 18.894 5.331) 20.396 15.138 ( 3.030 20.495 -0.906) 20.737 15.301 ( -0.420 8.912 1.634) 9.071 15.502 ( -0.712 -6.894 3.991) 7.998 15.526 ( 2.459 -3.891 2.975) 5.480 15.587 ( -9.489 7.037 -1.685) 11.933 15.720 ( -10.350 19.087 1.050) 21.738 15.856 ( -6.591 -10.971 6.005) 14.137 16.067 ( -16.812 -6.211 -1.284) 17.969 16.425 ( 2.511 -5.691 0.429) 6.235 16.515 ( 5.648 -2.714 -2.631) 6.796 16.567 ( -0.261 -9.829 1.967) 10.027 16.783 ( -0.026 -7.561 -2.912) 8.103 17.128 ( 5.756 -2.600 8.835) 10.861 17.207 ( 0.557 4.576 7.718) 8.990 17.250 ( 4.892 -5.666 10.303) 12.735 17.333 ( 2.968 0.508 4.276) 5.230 17.456 ( 1.194 1.356 5.837) 6.110 17.480 ( 0.479 4.295 3.080) 5.307 17.597 ( -3.055 1.681 2.773) 4.455 17.671 ( -7.030 -0.221 -1.944) 7.297 18.117 ( 11.872 4.734 -4.408) 13.520 18.269 ( 6.925 0.000 -10.873) 12.891 18.657 ( -4.599 -3.444 -5.324) 7.833 18.733 ( -6.404 -5.661 -7.843) 11.601 19.284 ( 3.046 2.130 0.017) 3.717 19.331 ( 3.628 -0.005 2.164) 4.224 19.443 ( -5.943 2.721 -5.330) 8.434 19.600 ( -7.620 -4.805 -6.902) 11.348 21.174 ( 6.062 0.050 -0.849) 6.122 21.192 ( 5.662 -1.089 -1.377) 5.928 21.288 ( -0.669 0.714 -0.958) 1.369 21.329 ( -2.029 -1.030 -2.605) 3.459 21.919 ( 13.773 18.162 -5.865) 23.536 22.160 ( 7.237 11.360 -16.116) 21.004 23.206 ( -14.669 -15.953 -2.673) 21.837 23.372 ( -17.834 -18.522 -10.714) 27.855 25.301 ( 1.789 8.121 0.592) 8.337 25.316 ( 1.276 7.868 0.055) 7.971 25.514 ( 1.913 -1.634 2.766) 3.739 25.561 ( 2.833 -0.380 5.161) 5.900 25.617 ( 0.032 2.130 0.195) 2.139 25.669 ( -2.010 2.770 0.353) 3.440 25.809 ( 3.019 -5.145 -0.097) 5.966 25.892 ( -0.758 -6.145 -3.817) 7.274 ======================= Grid point 213 (76/96) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.067 ( -16.214 8.812 14.267) 23.326 4.067 ( 16.214 8.812 14.267) 23.326 4.288 ( -5.530 8.044 5.033) 10.983 4.288 ( 5.530 8.044 5.033) 10.983 4.711 ( -6.926 -7.694 10.499) 14.744 4.711 ( 6.926 -7.694 10.499) 14.744 4.954 ( -5.404 -9.882 5.263) 12.432 4.954 ( 5.404 -9.882 5.263) 12.432 5.392 ( -1.895 3.838 1.440) 4.516 5.392 ( 1.895 3.838 1.440) 4.516 5.635 ( -4.112 -6.814 3.033) 8.517 5.635 ( 4.112 -6.814 3.033) 8.517 5.947 ( -5.607 3.276 1.821) 6.744 5.947 ( 5.607 3.276 1.821) 6.744 6.055 ( -3.761 -0.453 -2.354) 4.460 6.055 ( 3.761 -0.453 -2.354) 4.460 6.569 ( -5.386 10.052 3.864) 12.041 6.569 ( 5.386 10.052 3.864) 12.041 6.800 ( -4.672 -0.571 9.235) 10.365 6.800 ( 4.672 -0.571 9.235) 10.365 6.919 ( -0.670 7.702 0.479) 7.746 6.919 ( 0.670 7.702 0.479) 7.746 7.128 ( -6.427 -2.853 1.336) 7.157 7.128 ( 6.427 -2.853 1.336) 7.157 7.570 ( -7.366 5.473 -2.758) 9.582 7.570 ( 7.366 5.473 -2.758) 9.582 7.921 ( -4.365 -7.322 -2.657) 8.929 7.921 ( 4.365 -7.322 -2.657) 8.929 8.268 ( -15.924 -0.884 -2.578) 16.155 8.268 ( 15.924 -0.884 -2.578) 16.155 8.364 ( -14.845 -3.901 -3.838) 15.822 8.364 ( 14.845 -3.901 -3.838) 15.822 8.782 ( -7.591 9.286 -1.176) 12.051 8.782 ( 7.591 9.286 -1.176) 12.051 8.901 ( -16.663 17.494 -3.727) 24.445 8.901 ( 16.663 17.494 -3.727) 24.445 9.187 ( -18.205 -4.198 7.137) 19.999 9.187 ( 18.205 -4.198 7.137) 19.999 9.424 ( -18.320 -4.644 -2.333) 19.042 9.424 ( 18.320 -4.644 -2.333) 19.042 9.764 ( -5.647 11.724 -8.010) 15.281 9.764 ( 5.647 11.724 -8.010) 15.281 9.895 ( -5.837 4.981 -14.687) 16.570 9.895 ( 5.837 4.981 -14.687) 16.570 10.325 ( -1.947 -10.715 -3.708) 11.504 10.325 ( 1.947 -10.715 -3.708) 11.504 10.539 ( -7.799 -14.511 -8.939) 18.743 10.539 ( 7.799 -14.511 -8.939) 18.743 10.881 ( -5.480 -3.023 6.844) 9.274 10.881 ( 5.480 -3.023 6.844) 9.274 11.344 ( -6.367 -15.744 -8.847) 19.149 11.344 ( 6.367 -15.744 -8.847) 19.149 12.024 ( -3.973 3.349 -1.261) 5.347 12.024 ( 3.973 3.349 -1.261) 5.347 12.378 ( -2.638 -13.583 3.926) 14.383 12.378 ( 2.638 -13.583 3.926) 14.383 13.463 ( -4.185 4.525 1.699) 6.393 13.463 ( 4.185 4.525 1.699) 6.393 14.020 ( -4.259 -16.071 3.293) 16.949 14.020 ( 4.260 -16.071 3.293) 16.949 14.517 ( -16.955 16.068 6.027) 24.124 14.517 ( 16.955 16.068 6.027) 24.124 14.704 ( -12.166 11.785 6.991) 18.324 14.704 ( 12.166 11.785 6.991) 18.324 15.304 ( -13.512 15.730 -2.855) 20.932 15.304 ( 13.512 15.730 -2.855) 20.932 15.444 ( -10.386 5.420 0.911) 11.751 15.444 ( 10.386 5.420 0.911) 11.751 15.613 ( -3.173 3.267 -2.493) 5.192 15.613 ( 3.173 3.267 -2.493) 5.192 15.830 ( -7.555 -8.259 7.202) 13.309 15.830 ( 7.555 -8.259 7.202) 13.309 16.491 ( -4.217 -5.234 3.148) 7.422 16.491 ( 4.217 -5.234 3.148) 7.422 16.703 ( -8.814 -8.285 -5.621) 13.339 16.703 ( 8.814 -8.285 -5.621) 13.339 17.185 ( -2.285 2.841 8.892) 9.611 17.185 ( 2.285 2.841 8.892) 9.611 17.346 ( -3.127 -5.172 8.361) 10.316 17.346 ( 3.127 -5.172 8.361) 10.316 17.485 ( -1.163 4.215 3.299) 5.477 17.485 ( 1.163 4.215 3.299) 5.477 17.566 ( -3.048 -0.055 1.178) 3.268 17.566 ( 3.048 -0.055 1.178) 3.268 18.293 ( -5.397 6.919 -7.524) 11.559 18.293 ( 5.397 6.919 -7.524) 11.559 18.633 ( -3.080 -8.777 -7.578) 11.998 18.633 ( 3.080 -8.777 -7.578) 11.998 19.345 ( -4.165 2.913 -1.919) 5.433 19.345 ( 4.165 2.913 -1.919) 5.433 19.450 ( -8.006 -2.620 -3.008) 8.945 19.450 ( 8.006 -2.620 -3.008) 8.945 21.257 ( -1.965 -0.041 -1.303) 2.358 21.257 ( 1.965 -0.041 -1.303) 2.358 21.278 ( -2.969 -0.656 -1.742) 3.504 21.278 ( 2.969 -0.656 -1.742) 3.504 22.163 ( -8.920 21.586 -9.389) 25.173 22.163 ( 8.920 21.586 -9.389) 25.173 23.111 ( -6.743 -24.144 -8.421) 26.444 23.111 ( 6.743 -24.144 -8.421) 26.444 25.325 ( -0.501 9.170 0.684) 9.209 25.325 ( 0.501 9.170 0.684) 9.209 25.553 ( -2.296 -3.233 1.771) 4.343 25.553 ( 2.296 -3.233 1.771) 4.343 25.639 ( -1.644 3.803 2.210) 4.695 25.639 ( 1.644 3.803 2.210) 4.695 25.862 ( -2.448 -5.818 -1.737) 6.547 25.862 ( 2.448 -5.818 -1.737) 6.547 ======================= Grid point 217 (77/96) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.984 ( 0.000 -6.026 22.759) 23.544 3.984 ( 0.000 6.026 22.759) 23.544 4.455 ( 0.000 -8.367 27.893) 29.121 4.455 ( 0.000 8.367 27.893) 29.121 4.768 ( 0.000 -1.128 -8.482) 8.556 4.768 ( 0.000 1.128 -8.482) 8.556 5.023 ( 0.000 -0.353 -7.410) 7.418 5.023 ( 0.000 0.353 -7.410) 7.418 5.531 ( 0.000 -4.215 1.685) 4.539 5.531 ( 0.000 4.215 1.685) 4.539 5.683 ( 0.000 -1.989 17.674) 17.786 5.683 ( 0.000 1.989 17.674) 17.786 5.808 ( 0.000 -2.366 4.989) 5.521 5.808 ( 0.000 2.366 4.989) 5.521 6.317 ( 0.000 -7.000 2.689) 7.498 6.317 ( 0.000 7.000 2.689) 7.498 6.523 ( 0.000 -0.947 5.293) 5.377 6.523 ( 0.000 0.947 5.293) 5.377 6.753 ( 0.000 -11.060 -7.115) 13.150 6.753 ( 0.000 11.060 -7.115) 13.150 6.918 ( 0.000 -4.637 -10.081) 11.096 6.918 ( 0.000 4.637 -10.081) 11.096 7.144 ( 0.000 -0.092 4.412) 4.413 7.144 ( 0.000 0.092 4.412) 4.413 7.217 ( 0.000 -1.694 -5.249) 5.516 7.217 ( 0.000 1.694 -5.249) 5.516 7.576 ( 0.000 -1.003 -5.815) 5.901 7.576 ( 0.000 1.003 -5.815) 5.901 7.984 ( 0.000 -7.224 2.116) 7.527 7.984 ( 0.000 7.224 2.116) 7.527 8.291 ( 0.000 -7.790 -12.166) 14.446 8.291 ( 0.000 7.790 -12.166) 14.446 8.715 ( 0.000 -9.882 3.713) 10.557 8.715 ( 0.000 9.882 3.713) 10.557 9.039 ( 0.000 -1.534 -2.678) 3.086 9.039 ( 0.000 1.534 -2.678) 3.086 9.456 ( 0.000 -7.984 5.141) 9.497 9.456 ( 0.000 7.984 5.141) 9.497 9.553 ( 0.000 -1.546 -4.739) 4.985 9.553 ( 0.000 1.546 -4.739) 4.985 9.940 ( 0.000 -3.384 -1.071) 3.549 9.940 ( 0.000 3.384 -1.071) 3.549 9.993 ( 0.000 -2.870 -0.767) 2.971 9.993 ( 0.000 2.870 -0.767) 2.971 10.519 ( 0.000 -3.242 -11.650) 12.093 10.519 ( 0.000 3.242 -11.650) 12.093 10.609 ( 0.000 -6.970 -16.009) 17.460 10.609 ( 0.000 6.970 -16.009) 17.460 11.117 ( 0.000 -2.363 9.557) 9.844 11.117 ( 0.000 2.363 9.557) 9.844 11.278 ( 0.000 -5.520 -0.841) 5.584 11.278 ( 0.000 5.520 -0.841) 5.584 11.822 ( 0.000 -2.780 2.366) 3.651 11.822 ( 0.000 2.780 2.366) 3.651 11.949 ( 0.000 -1.839 -0.238) 1.854 11.949 ( 0.000 1.839 -0.238) 1.854 13.451 ( 0.000 -11.204 2.948) 11.585 13.451 ( 0.000 11.204 2.948) 11.585 13.809 ( 0.000 -9.461 -8.097) 12.453 13.809 ( 0.000 9.461 -8.097) 12.453 14.155 ( 0.000 -5.987 4.857) 7.709 14.155 ( 0.000 5.987 4.857) 7.709 15.054 ( 0.000 -2.683 5.863) 6.448 15.054 ( 0.000 2.683 5.863) 6.448 15.320 ( 0.000 -12.020 -0.598) 12.035 15.320 ( 0.000 12.020 -0.598) 12.035 15.373 ( 0.000 -13.434 -1.933) 13.572 15.373 ( 0.000 13.434 -1.933) 13.572 16.018 ( 0.000 -5.095 12.966) 13.931 16.018 ( 0.000 5.095 12.966) 13.931 16.215 ( 0.000 -5.544 3.807) 6.725 16.215 ( 0.000 5.544 3.807) 6.725 16.551 ( 0.000 -5.013 -0.214) 5.018 16.551 ( 0.000 5.013 -0.214) 5.018 16.716 ( 0.000 -0.981 -5.742) 5.825 16.716 ( 0.000 0.981 -5.742) 5.825 16.879 ( 0.000 -6.284 11.487) 13.093 16.879 ( 0.000 6.284 11.487) 13.093 17.103 ( 0.000 -5.845 4.460) 7.352 17.103 ( 0.000 5.845 4.460) 7.352 17.567 ( 0.000 -0.732 1.975) 2.106 17.567 ( 0.000 0.732 1.975) 2.106 17.717 ( 0.000 -5.868 -4.008) 7.106 17.717 ( 0.000 5.868 -4.008) 7.106 17.888 ( 0.000 -5.732 -0.122) 5.733 17.888 ( 0.000 5.732 -0.122) 5.733 18.874 ( 0.000 -0.774 -7.069) 7.111 18.874 ( 0.000 0.774 -7.069) 7.111 19.248 ( 0.000 -0.234 5.147) 5.152 19.248 ( 0.000 0.234 5.147) 5.152 19.657 ( 0.000 -4.303 -10.484) 11.332 19.657 ( 0.000 4.303 -10.484) 11.332 20.998 ( 0.000 -0.022 -0.623) 0.623 20.998 ( 0.000 0.022 -0.623) 0.623 21.327 ( 0.000 -1.848 -1.663) 2.486 21.327 ( 0.000 1.848 -1.663) 2.486 21.884 ( 0.000 -8.269 -12.130) 14.680 21.884 ( 0.000 8.269 -12.130) 14.680 23.629 ( 0.000 -4.971 -5.460) 7.384 23.629 ( 0.000 4.971 -5.460) 7.383 25.331 ( 0.000 -0.457 0.141) 0.479 25.331 ( 0.000 0.457 0.141) 0.479 25.454 ( 0.000 -0.056 4.609) 4.609 25.454 ( 0.000 0.056 4.609) 4.609 25.658 ( 0.000 -3.428 1.205) 3.634 25.658 ( 0.000 3.428 1.205) 3.634 25.791 ( 0.000 -4.145 -4.276) 5.955 25.791 ( 0.000 4.145 -4.276) 5.955 ======================= Grid point 219 (78/96) ======================= q-point: ( 0.17 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.997 ( 1.662 -11.744 20.078) 23.319 3.997 ( 1.662 11.744 20.078) 23.319 4.460 ( 1.962 -9.631 22.515) 24.566 4.460 ( 1.962 9.631 22.515) 24.566 4.808 ( -0.348 -1.594 -3.264) 3.649 4.808 ( -0.348 1.594 -3.264) 3.649 4.928 ( -7.739 -1.138 -4.716) 9.134 4.928 ( -7.739 1.138 -4.716) 9.134 5.487 ( -2.146 -2.969 1.971) 4.160 5.487 ( -2.146 2.969 1.971) 4.160 5.641 ( -4.265 -2.651 11.092) 12.176 5.641 ( -4.265 2.651 11.092) 12.176 5.870 ( 4.517 -4.273 5.524) 8.317 5.870 ( 4.517 4.273 5.524) 8.317 6.161 ( -9.608 -2.711 1.153) 10.050 6.161 ( -9.608 2.711 1.153) 10.050 6.551 ( 2.127 -0.498 4.351) 4.868 6.551 ( 2.127 0.498 4.351) 4.868 6.798 ( 2.437 -2.008 -4.479) 5.480 6.798 ( 2.437 2.008 -4.479) 5.480 7.001 ( 4.335 -2.023 2.890) 5.589 7.001 ( 4.335 2.023 2.890) 5.589 7.195 ( 2.452 -4.865 0.466) 5.468 7.195 ( 2.452 4.865 0.466) 5.468 7.329 ( 11.582 -3.330 -3.046) 12.430 7.329 ( 11.582 3.330 -3.046) 12.430 7.584 ( 4.163 -7.287 -11.454) 14.199 7.584 ( 4.163 7.287 -11.454) 14.199 7.986 ( -0.103 -5.987 2.015) 6.318 7.986 ( -0.103 5.987 2.015) 6.318 8.366 ( 8.201 -8.030 -11.712) 16.398 8.366 ( 8.201 8.030 -11.712) 16.398 8.733 ( 2.503 -9.677 3.257) 10.512 8.733 ( 2.503 9.677 3.257) 10.512 8.954 ( -7.865 -2.890 -2.105) 8.640 8.954 ( -7.865 2.890 -2.105) 8.640 9.442 ( -2.280 -9.969 6.023) 11.869 9.442 ( -2.280 9.969 6.023) 11.869 9.608 ( 3.640 -1.794 -3.428) 5.312 9.608 ( 3.640 1.794 -3.428) 5.312 9.892 ( -7.039 -3.992 -5.117) 9.574 9.892 ( -7.039 3.992 -5.117) 9.574 9.978 ( 1.234 -3.890 -1.006) 4.204 9.978 ( 1.234 3.890 -1.006) 4.204 10.368 ( -10.949 -5.977 -8.665) 15.188 10.368 ( -10.949 5.977 -8.665) 15.188 10.655 ( 1.766 -10.785 -16.105) 19.463 10.655 ( 1.766 10.785 -16.105) 19.463 10.998 ( -16.435 -7.567 2.181) 18.224 10.998 ( -16.435 7.567 2.181) 18.224 11.195 ( -1.176 -15.432 1.440) 15.543 11.195 ( -1.176 15.432 1.440) 15.543 11.906 ( 7.377 -5.720 3.855) 10.099 11.906 ( 7.377 5.720 3.855) 10.099 12.060 ( 8.802 -12.030 0.226) 14.907 12.060 ( 8.802 12.030 0.226) 14.907 13.514 ( 6.084 -13.263 3.840) 15.088 13.514 ( 6.084 13.263 3.840) 15.088 13.823 ( -2.039 -12.316 -3.602) 12.992 13.823 ( -2.039 12.316 -3.602) 12.992 14.139 ( 3.011 -8.155 -1.518) 8.824 14.139 ( 3.011 8.155 -1.518) 8.824 15.076 ( 3.552 -5.561 8.222) 10.542 15.076 ( 3.552 5.561 8.222) 10.542 15.353 ( 0.995 -9.930 0.359) 9.986 15.353 ( 0.995 9.930 0.359) 9.986 15.456 ( 8.663 -8.736 -1.776) 12.431 15.456 ( 8.663 8.736 -1.776) 12.431 15.880 ( -15.525 -8.847 13.944) 22.665 15.880 ( -15.525 8.847 13.944) 22.665 16.152 ( -5.952 -5.751 4.073) 9.225 16.152 ( -5.952 5.751 4.073) 9.225 16.513 ( -7.755 -5.335 -9.616) 13.456 16.513 ( -7.755 5.335 -9.616) 13.456 16.559 ( -3.816 -11.008 0.021) 11.650 16.559 ( -3.816 11.008 0.021) 11.650 16.993 ( 7.805 -5.679 12.185) 15.544 16.993 ( 7.805 5.679 12.185) 15.544 17.206 ( 7.319 -2.676 6.172) 9.941 17.206 ( 7.319 2.676 6.172) 9.941 17.531 ( -2.393 -1.535 3.267) 4.331 17.531 ( -2.393 1.535 3.267) 4.331 17.722 ( -1.891 -5.152 -3.186) 6.346 17.722 ( -1.891 5.152 -3.186) 6.346 17.988 ( 10.813 -6.082 -4.047) 13.050 17.988 ( 10.813 6.082 -4.047) 13.050 18.800 ( -7.131 -2.183 -6.615) 9.968 18.800 ( -7.131 2.183 -6.615) 9.968 19.271 ( 2.100 -1.850 3.602) 4.562 19.271 ( 2.100 1.850 3.602) 4.562 19.613 ( -4.480 -4.531 -9.067) 11.082 19.613 ( -4.480 4.531 -9.067) 11.082 21.061 ( 5.980 -0.284 -0.680) 6.025 21.061 ( 5.980 0.284 -0.680) 6.025 21.323 ( -0.437 -1.657 -1.708) 2.420 21.323 ( -0.437 1.657 -1.708) 2.420 21.963 ( 8.833 -8.520 -11.934) 17.118 21.963 ( 8.833 8.520 -11.934) 17.118 23.472 ( -15.998 -5.578 -6.009) 17.977 23.472 ( -15.998 5.578 -6.009) 17.977 25.346 ( 1.844 -0.872 0.172) 2.047 25.346 ( 1.844 0.872 0.172) 2.047 25.489 ( 2.708 -1.189 5.220) 5.999 25.489 ( 2.708 1.189 5.220) 5.999 25.669 ( 1.173 -4.016 0.640) 4.233 25.669 ( 1.173 4.016 0.640) 4.233 25.782 ( -0.881 -5.098 -3.952) 6.511 25.782 ( -0.881 5.098 -3.952) 6.511 ======================= Grid point 221 (79/96) ======================= q-point: ( 0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.066 ( 6.601 -13.085 13.225) 19.740 4.066 ( 6.601 13.085 13.225) 19.740 4.526 ( -3.805 -8.358 12.506) 15.516 4.526 ( -3.805 8.358 12.506) 15.516 4.607 ( -5.777 -10.244 4.932) 12.753 4.607 ( -5.777 10.244 4.932) 12.753 4.882 ( -3.318 -5.097 3.560) 7.047 4.882 ( -3.318 5.097 3.560) 7.047 5.475 ( 0.175 -3.845 0.377) 3.868 5.475 ( 0.175 3.845 0.377) 3.868 5.549 ( -4.510 -6.499 5.807) 9.813 5.549 ( -4.510 6.499 5.807) 9.813 5.933 ( 3.551 -2.747 4.539) 6.384 5.933 ( 3.551 2.747 4.539) 6.384 6.081 ( -1.322 -2.329 -2.065) 3.381 6.081 ( -1.322 2.329 -2.065) 3.381 6.611 ( 5.124 -4.281 8.236) 10.602 6.611 ( 5.124 4.281 8.236) 10.602 6.818 ( -1.045 -3.460 0.035) 3.614 6.818 ( -1.045 3.460 0.035) 3.614 6.999 ( -1.156 -4.206 4.736) 6.438 6.999 ( -1.156 4.206 4.736) 6.438 7.181 ( -6.112 -7.107 1.428) 9.482 7.181 ( -6.112 7.107 1.428) 9.482 7.543 ( 12.755 -8.362 -1.732) 15.350 7.543 ( 12.755 8.362 -1.732) 15.350 7.770 ( 8.191 -4.444 -9.690) 13.444 7.770 ( 8.191 4.444 -9.690) 13.444 8.008 ( 6.521 -0.391 -1.839) 6.787 8.008 ( 6.521 0.391 -1.839) 6.787 8.504 ( -0.883 -4.535 -6.984) 8.374 8.504 ( -0.883 4.535 -6.984) 8.374 8.835 ( 5.538 -9.614 -1.153) 11.154 8.835 ( 5.538 9.614 -1.153) 11.154 8.865 ( 8.351 -8.726 0.780) 12.104 8.865 ( 8.351 8.726 0.780) 12.104 9.317 ( -11.873 -12.690 7.461) 18.912 9.317 ( -11.873 12.690 7.461) 18.912 9.545 ( -11.240 -10.186 -2.317) 15.345 9.545 ( -11.240 10.186 -2.317) 15.345 9.844 ( 4.100 -9.564 -10.886) 15.059 9.844 ( 4.100 9.564 -10.886) 15.059 10.022 ( 2.055 -5.505 -5.564) 8.093 10.022 ( 2.055 5.505 -5.564) 8.093 10.197 ( -6.675 -4.372 -3.906) 8.884 10.197 ( -6.675 4.372 -3.906) 8.884 10.473 ( -18.491 -14.914 -12.225) 26.717 10.473 ( -18.491 14.914 -12.225) 26.717 10.895 ( 6.247 -11.348 -3.436) 13.402 10.895 ( 6.247 11.348 -3.436) 13.402 11.157 ( -3.979 -14.524 -0.680) 15.075 11.157 ( -3.979 14.524 -0.680) 15.075 12.040 ( 6.711 -9.590 4.515) 12.546 12.040 ( 6.711 9.590 4.515) 12.546 12.181 ( 2.611 -10.438 0.208) 10.761 12.181 ( 2.611 10.438 0.208) 10.761 13.627 ( 4.673 -12.374 3.013) 13.566 13.627 ( 4.673 12.374 3.013) 13.566 13.725 ( -5.151 -7.080 -0.838) 8.795 13.725 ( -5.151 7.080 -0.838) 8.795 14.349 ( 18.325 -6.155 -1.539) 19.392 14.349 ( 18.325 6.155 -1.539) 19.392 15.131 ( -4.636 -6.461 9.855) 12.663 15.131 ( -4.636 6.461 9.855) 12.663 15.378 ( 1.727 -6.563 1.530) 6.957 15.378 ( 1.727 6.563 1.530) 6.957 15.528 ( -10.541 -11.465 11.732) 19.499 15.528 ( -10.541 11.465 11.732) 19.499 15.600 ( 2.577 -9.734 -2.463) 10.367 15.600 ( 2.577 9.734 -2.463) 10.367 15.996 ( -11.675 -4.552 2.127) 12.711 15.996 ( -11.675 4.552 2.127) 12.711 16.413 ( 1.126 -4.128 -5.024) 6.599 16.413 ( 1.126 4.128 -5.024) 6.599 16.558 ( -0.599 -10.376 -1.237) 10.467 16.558 ( -0.599 10.377 -1.237) 10.467 17.127 ( 6.847 -3.286 10.215) 12.729 17.127 ( 6.847 3.286 10.215) 12.729 17.299 ( 1.579 -2.864 7.905) 8.555 17.299 ( 1.579 2.864 7.905) 8.555 17.506 ( 0.259 -1.684 3.185) 3.612 17.506 ( 0.259 1.684 3.185) 3.612 17.647 ( -5.378 -2.258 -1.240) 5.963 17.647 ( -5.378 2.258 -1.240) 5.963 18.227 ( 13.446 -4.847 -7.419) 16.104 18.227 ( 13.446 4.847 -7.419) 16.104 18.644 ( -9.300 -2.576 -6.721) 11.760 18.644 ( -9.300 2.576 -6.721) 11.760 19.319 ( 3.227 -1.292 0.886) 3.587 19.319 ( 3.227 1.292 0.886) 3.587 19.508 ( -6.294 -4.202 -5.887) 9.588 19.508 ( -6.294 4.202 -5.887) 9.588 21.179 ( 5.886 -0.424 -0.988) 5.984 21.179 ( 5.886 0.424 -0.988) 5.984 21.307 ( -1.438 -1.136 -1.718) 2.512 21.307 ( -1.438 1.136 -1.718) 2.512 22.217 ( 18.450 -8.615 -10.933) 23.111 22.217 ( 18.450 8.615 -10.933) 23.111 23.087 ( -24.238 -6.805 -7.386) 26.237 23.087 ( -24.238 6.805 -7.386) 26.237 25.399 ( 3.669 -1.495 0.670) 4.018 25.399 ( 3.669 1.495 0.670) 4.018 25.513 ( -0.662 -2.883 4.527) 5.408 25.513 ( -0.662 2.883 4.527) 5.408 25.701 ( 2.211 -5.385 0.064) 5.822 25.701 ( 2.211 5.385 0.064) 5.822 25.764 ( -1.034 -6.440 -2.443) 6.965 25.764 ( -1.034 6.440 -2.443) 6.965 ======================= Grid point 223 (80/96) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.258 ( -13.983 -9.230 6.340) 17.915 4.258 ( 13.830 -9.172 6.340) 17.765 4.258 ( -13.830 9.172 6.340) 17.765 4.258 ( 13.983 9.230 6.340) 17.915 4.748 ( -8.212 -9.360 10.921) 16.562 4.748 ( 1.779 -8.459 10.921) 13.927 4.748 ( -1.779 8.459 10.921) 13.927 4.748 ( 8.212 9.360 10.921) 16.562 5.492 ( -1.848 -6.563 1.929) 7.085 5.492 ( 1.811 -6.560 1.929) 7.073 5.492 ( -1.811 6.560 1.929) 7.073 5.492 ( 1.848 6.563 1.929) 7.085 6.022 ( -4.876 -3.143 -0.207) 5.805 6.022 ( 0.885 -2.032 -0.207) 2.226 6.022 ( -0.885 2.032 -0.207) 2.226 6.022 ( 4.876 3.143 -0.207) 5.805 6.735 ( -7.027 -6.148 8.915) 12.909 6.735 ( 6.954 -6.127 8.915) 12.860 6.735 ( -6.954 6.127 8.915) 12.860 6.735 ( 7.027 6.148 8.915) 12.909 7.048 ( -6.142 -5.210 -0.821) 8.096 7.048 ( 4.969 -4.888 -0.821) 7.018 7.048 ( -4.969 4.888 -0.821) 7.018 7.048 ( 6.142 5.210 -0.821) 8.096 7.741 ( -6.530 -10.177 -2.577) 12.363 7.741 ( 3.666 -9.812 -2.577) 10.787 7.741 ( -3.666 9.812 -2.577) 10.787 7.741 ( 6.530 10.177 -2.577) 12.363 8.284 ( -17.683 -2.844 -4.540) 18.477 8.284 ( -17.508 2.558 -4.540) 18.267 8.284 ( 17.508 -2.558 -4.540) 18.267 8.284 ( 17.683 2.844 -4.540) 18.477 8.997 ( -9.527 -10.775 2.709) 14.636 8.997 ( 7.082 -10.294 2.709) 12.785 8.997 ( -7.082 10.294 2.709) 12.785 8.997 ( 9.527 10.775 2.709) 14.636 9.259 ( -16.818 -12.670 -1.257) 21.094 9.259 ( 16.318 -12.506 -1.257) 20.598 9.259 ( -16.318 12.506 -1.257) 20.598 9.259 ( 16.818 12.670 -1.257) 21.094 9.958 ( -6.811 -11.086 -11.596) 17.429 9.958 ( 5.968 -10.964 -11.596) 17.038 9.958 ( -5.968 10.964 -11.596) 17.038 9.958 ( 6.811 11.086 -11.596) 17.429 10.216 ( -7.918 -14.673 -5.274) 17.488 10.216 ( 7.072 -14.565 -5.274) 17.028 10.216 ( -7.072 14.565 -5.274) 17.028 10.216 ( 7.918 14.673 -5.274) 17.488 11.044 ( -7.758 -14.407 -2.739) 16.590 11.044 ( 7.292 -14.346 -2.739) 16.324 11.044 ( -7.292 14.346 -2.739) 16.324 11.044 ( 7.758 14.407 -2.739) 16.590 12.151 ( -4.163 -9.464 2.162) 10.562 12.151 ( 3.221 -9.371 2.162) 10.142 12.151 ( -3.221 9.371 2.162) 10.142 12.151 ( 4.163 9.464 2.162) 10.562 13.674 ( -0.659 -16.190 0.026) 16.204 13.674 ( 0.569 -16.190 0.026) 16.200 13.674 ( -0.569 16.190 0.026) 16.200 13.674 ( 0.659 16.190 0.026) 16.204 14.773 ( -24.134 -4.849 6.182) 25.380 14.773 ( -22.113 -0.391 6.182) 22.964 14.773 ( 22.113 0.391 6.182) 22.964 14.773 ( 24.134 4.849 6.182) 25.380 15.442 ( -3.366 -7.268 3.378) 8.693 15.442 ( 2.741 -7.202 3.378) 8.414 15.442 ( -2.741 7.202 3.379) 8.414 15.442 ( 3.366 7.268 3.378) 8.693 15.752 ( -12.132 -3.283 2.151) 12.751 15.752 ( -10.209 0.185 2.151) 10.435 15.752 ( 10.209 -0.185 2.151) 10.435 15.752 ( 12.132 3.283 2.151) 12.751 16.499 ( -5.437 -8.351 -2.084) 10.180 16.499 ( 5.247 -8.320 -2.084) 10.055 16.499 ( -5.247 8.320 -2.084) 10.055 16.499 ( 5.437 8.351 -2.084) 10.180 17.250 ( -5.845 -4.252 8.162) 10.903 17.250 ( 5.432 -4.113 8.162) 10.632 17.250 ( -5.432 4.113 8.162) 10.632 17.250 ( 5.845 4.252 8.162) 10.903 17.552 ( -3.512 -1.610 1.397) 4.108 17.552 ( -2.677 -1.140 1.397) 3.228 17.552 ( 2.677 1.140 1.397) 3.228 17.552 ( 3.512 1.610 1.397) 4.108 18.457 ( -8.101 -8.307 -7.477) 13.803 18.457 ( -2.818 -7.388 -7.477) 10.883 18.457 ( 2.818 7.388 -7.477) 10.883 18.457 ( 8.101 8.307 -7.477) 13.803 19.398 ( -5.236 -2.626 -2.324) 6.302 19.398 ( -0.714 -0.412 -2.324) 2.466 19.398 ( 0.714 0.412 -2.324) 2.466 19.398 ( 5.236 2.626 -2.324) 6.302 21.264 ( -3.274 -0.561 -1.473) 3.633 21.264 ( -3.149 0.339 -1.473) 3.493 21.264 ( 3.149 -0.339 -1.473) 3.493 21.264 ( 3.274 0.561 -1.473) 3.633 22.624 ( -15.940 -23.274 -9.176) 29.664 22.624 ( -4.423 -21.979 -9.176) 24.224 22.624 ( 4.423 21.979 -9.176) 24.224 22.624 ( 15.940 23.274 -9.176) 29.664 25.470 ( -2.299 -5.451 2.133) 6.289 25.470 ( 0.486 -5.334 2.133) 5.765 25.470 ( -0.486 5.334 2.133) 5.765 25.470 ( 2.299 5.451 2.133) 6.289 25.740 ( -1.710 -6.235 -0.551) 6.489 25.740 ( 1.710 -6.235 -0.551) 6.489 25.740 ( -1.710 6.235 -0.551) 6.489 25.740 ( 1.710 6.235 -0.551) 6.489 ======================= Grid point 245 (81/96) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.291 ( 0.000 0.000 -19.650) 19.650 4.291 ( 0.000 0.000 19.650) 19.650 4.707 ( 0.000 0.000 -37.093) 37.093 4.707 ( 0.000 0.000 37.093) 37.093 4.930 ( 0.000 0.000 -3.954) 3.954 4.930 ( 0.000 0.000 3.954) 3.954 4.984 ( 0.000 0.000 -5.483) 5.483 4.984 ( 0.000 0.000 5.483) 5.483 5.056 ( 0.000 0.000 -1.493) 1.493 5.056 ( 0.000 0.000 1.493) 1.493 5.617 ( 0.000 0.000 -9.966) 9.966 5.617 ( 0.000 0.000 9.966) 9.966 5.941 ( 0.000 0.000 -7.688) 7.688 5.941 ( 0.000 0.000 7.688) 7.688 6.224 ( 0.000 0.000 -8.456) 8.456 6.224 ( 0.000 0.000 8.456) 8.456 6.366 ( 0.000 0.000 -8.461) 8.461 6.366 ( 0.000 0.000 8.461) 8.461 6.622 ( 0.000 0.000 -6.100) 6.100 6.622 ( 0.000 0.000 6.100) 6.100 7.005 ( 0.000 0.000 -27.485) 27.485 7.005 ( 0.000 0.000 27.485) 27.485 7.155 ( 0.000 0.000 -0.733) 0.733 7.155 ( 0.000 0.000 0.733) 0.733 7.431 ( 0.000 0.000 -8.028) 8.028 7.431 ( 0.000 0.000 8.028) 8.028 7.726 ( 0.000 0.000 -16.991) 16.991 7.726 ( 0.000 0.000 16.991) 16.991 7.945 ( 0.000 0.000 -6.418) 6.418 7.945 ( 0.000 0.000 6.418) 6.418 8.278 ( 0.000 0.000 -6.062) 6.062 8.278 ( 0.000 0.000 6.062) 6.062 8.395 ( 0.000 0.000 -8.600) 8.600 8.395 ( 0.000 0.000 8.600) 8.600 8.463 ( 0.000 0.000 -2.730) 2.730 8.463 ( 0.000 0.000 2.730) 2.730 9.090 ( 0.000 0.000 -7.952) 7.952 9.090 ( 0.000 0.000 7.952) 7.952 9.518 ( 0.000 0.000 -2.482) 2.482 9.518 ( 0.000 0.000 2.482) 2.482 9.927 ( 0.000 0.000 -10.242) 10.242 9.927 ( 0.000 0.000 10.242) 10.242 10.037 ( 0.000 0.000 -10.140) 10.140 10.037 ( 0.000 0.000 10.140) 10.140 10.537 ( 0.000 0.000 -1.316) 1.316 10.537 ( 0.000 0.000 1.316) 1.316 10.645 ( 0.000 0.000 -8.385) 8.385 10.645 ( 0.000 0.000 8.385) 8.385 11.121 ( 0.000 0.000 -7.298) 7.298 11.121 ( 0.000 0.000 7.298) 7.298 12.040 ( 0.000 0.000 -0.095) 0.095 12.040 ( 0.000 0.000 0.095) 0.095 12.451 ( 0.000 0.000 -1.485) 1.485 12.451 ( 0.000 0.000 1.485) 1.485 12.953 ( 0.000 0.000 -9.124) 9.124 12.953 ( 0.000 0.000 9.124) 9.124 13.285 ( 0.000 0.000 -23.146) 23.146 13.285 ( 0.000 0.000 23.146) 23.146 13.368 ( 0.000 0.000 -10.127) 10.127 13.368 ( 0.000 0.000 10.127) 10.127 13.664 ( 0.000 0.000 -8.676) 8.676 13.664 ( 0.000 0.000 8.676) 8.676 14.547 ( 0.000 0.000 -18.458) 18.458 14.547 ( 0.000 0.000 18.458) 18.458 14.876 ( 0.000 0.000 -11.643) 11.643 14.876 ( 0.000 0.000 11.643) 11.643 15.587 ( 0.000 0.000 -6.553) 6.553 15.587 ( 0.000 0.000 6.553) 6.553 16.203 ( 0.000 0.000 -6.151) 6.151 16.203 ( 0.000 0.000 6.151) 6.151 16.253 ( 0.000 0.000 -16.582) 16.582 16.253 ( 0.000 0.000 16.582) 16.582 16.540 ( 0.000 0.000 -4.321) 4.321 16.540 ( 0.000 0.000 4.321) 4.321 16.705 ( 0.000 0.000 -2.873) 2.873 16.705 ( 0.000 0.000 2.873) 2.873 17.041 ( 0.000 0.000 -10.405) 10.405 17.041 ( 0.000 0.000 10.405) 10.405 17.099 ( 0.000 0.000 -3.728) 3.728 17.099 ( 0.000 0.000 3.728) 3.728 17.709 ( 0.000 0.000 -1.262) 1.262 17.709 ( 0.000 0.000 1.262) 1.262 17.710 ( 0.000 0.000 -8.795) 8.795 17.710 ( 0.000 0.000 8.795) 8.795 17.994 ( 0.000 0.000 -7.567) 7.567 17.994 ( 0.000 0.000 7.567) 7.567 18.584 ( 0.000 0.000 -6.759) 6.759 18.584 ( 0.000 0.000 6.759) 6.759 19.422 ( 0.000 0.000 -2.636) 2.636 19.422 ( 0.000 0.000 2.636) 2.636 19.600 ( 0.000 0.000 -15.379) 15.379 19.600 ( 0.000 0.000 15.379) 15.379 20.991 ( 0.000 0.000 -0.211) 0.211 20.991 ( 0.000 0.000 0.211) 0.211 21.288 ( 0.000 0.000 -2.061) 2.061 21.288 ( 0.000 0.000 2.061) 2.061 21.518 ( 0.000 0.000 -11.792) 11.792 21.518 ( 0.000 0.000 11.792) 11.792 24.002 ( 0.000 0.000 -4.167) 4.167 24.002 ( 0.000 0.000 4.167) 4.167 25.030 ( 0.000 0.000 -2.851) 2.851 25.030 ( 0.000 0.000 2.851) 2.851 25.471 ( 0.000 0.000 -2.899) 2.899 25.471 ( 0.000 0.000 2.899) 2.899 25.682 ( 0.000 0.000 -3.334) 3.334 25.682 ( 0.000 0.000 3.334) 3.334 25.881 ( 0.000 0.000 -3.993) 3.993 25.881 ( 0.000 0.000 3.993) 3.993 ======================= Grid point 247 (82/96) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.233 ( -5.477 0.000 -15.457) 16.398 4.233 ( -5.477 0.000 15.457) 16.398 4.525 ( -13.610 0.000 -28.353) 31.451 4.525 ( -13.610 0.000 28.353) 31.451 4.944 ( 0.812 0.000 -9.849) 9.882 4.944 ( 0.812 0.000 9.849) 9.882 5.097 ( 4.160 0.000 -5.767) 7.111 5.097 ( 4.160 0.000 5.767) 7.111 5.134 ( 11.358 0.000 -11.295) 16.018 5.134 ( 11.358 0.000 11.295) 16.018 5.602 ( -2.277 0.000 -9.966) 10.223 5.602 ( -2.277 0.000 9.966) 10.223 5.970 ( 3.516 0.000 -6.886) 7.732 5.970 ( 3.516 0.000 6.886) 7.732 6.142 ( -5.252 0.000 -4.928) 7.202 6.142 ( -5.252 0.000 4.928) 7.202 6.377 ( -1.598 0.000 -4.170) 4.465 6.377 ( -1.598 0.000 4.170) 4.465 6.611 ( -1.308 0.000 -5.175) 5.338 6.611 ( -1.308 0.000 5.175) 5.338 7.024 ( 0.897 0.000 -21.974) 21.993 7.024 ( 0.897 0.000 21.974) 21.993 7.179 ( 2.049 0.000 -1.576) 2.585 7.179 ( 2.049 0.000 1.576) 2.585 7.517 ( 7.252 0.000 -6.051) 9.445 7.517 ( 7.252 0.000 6.051) 9.445 7.773 ( 5.316 0.000 -13.684) 14.680 7.773 ( 5.316 0.000 13.684) 14.680 7.931 ( 0.710 0.000 -7.676) 7.709 7.931 ( 0.710 0.000 7.676) 7.709 8.276 ( 2.093 0.000 -3.322) 3.926 8.276 ( 2.093 0.000 3.322) 3.926 8.394 ( -0.303 0.000 -7.498) 7.504 8.394 ( -0.303 0.000 7.498) 7.504 8.622 ( 13.702 0.000 -8.236) 15.986 8.622 ( 13.702 0.000 8.236) 15.986 9.077 ( -1.123 0.000 -6.519) 6.615 9.077 ( -1.123 0.000 6.519) 6.615 9.450 ( -8.063 0.000 -7.742) 11.178 9.450 ( -8.063 0.000 7.742) 11.178 9.848 ( -12.443 0.000 -8.696) 15.180 9.848 ( -12.443 0.000 8.696) 15.180 9.893 ( -3.967 0.000 -8.396) 9.286 9.893 ( -3.967 0.000 8.396) 9.286 10.489 ( -4.350 0.000 -2.147) 4.851 10.489 ( -4.350 0.000 2.147) 4.851 10.895 ( 19.919 0.000 -12.686) 23.616 10.895 ( 19.919 0.000 12.686) 23.616 11.033 ( -9.724 0.000 -12.036) 15.473 11.033 ( -9.724 0.000 12.036) 15.473 11.941 ( -9.320 0.000 -2.148) 9.564 11.941 ( -9.320 0.000 2.148) 9.564 12.266 ( -14.088 0.000 -3.085) 14.421 12.266 ( -14.088 0.000 3.085) 14.421 13.023 ( 3.527 0.000 -4.994) 6.114 13.023 ( 3.527 0.000 4.994) 6.114 13.336 ( 4.375 0.000 -19.901) 20.377 13.336 ( 4.375 0.000 19.901) 20.377 13.547 ( 17.924 0.000 -15.639) 23.787 13.547 ( 17.924 0.000 15.639) 23.787 13.758 ( 9.517 0.000 -6.134) 11.322 13.758 ( 9.517 0.000 6.134) 11.322 14.508 ( -3.104 0.000 -17.857) 18.125 14.508 ( -3.104 0.000 17.857) 18.125 14.931 ( 4.128 0.000 -9.699) 10.540 14.931 ( 4.128 0.000 9.699) 10.540 15.524 ( -8.572 0.000 -6.905) 11.007 15.524 ( -8.572 0.000 6.905) 11.007 16.014 ( -13.722 0.000 -6.906) 15.362 16.014 ( -13.722 0.000 6.906) 15.362 16.098 ( -9.516 0.000 -15.302) 18.019 16.098 ( -9.516 0.000 15.302) 18.019 16.637 ( 5.341 0.000 -10.073) 11.401 16.637 ( 5.341 0.000 10.073) 11.401 16.866 ( 11.181 0.000 -2.786) 11.522 16.866 ( 11.181 0.000 2.786) 11.522 17.033 ( -6.355 0.000 -1.896) 6.631 17.033 ( -6.355 0.000 1.896) 6.631 17.096 ( 5.712 0.000 -8.920) 10.592 17.096 ( 5.712 0.000 8.920) 10.592 17.686 ( -2.596 0.000 -7.357) 7.802 17.686 ( -2.596 0.000 7.357) 7.802 17.715 ( 0.981 0.000 -4.879) 4.977 17.715 ( 0.981 0.000 4.879) 4.977 18.016 ( 1.946 0.000 -5.106) 5.464 18.016 ( 1.946 0.000 5.106) 5.464 18.640 ( 5.606 0.000 -4.970) 7.492 18.640 ( 5.606 0.000 4.970) 7.492 19.362 ( -5.880 0.000 -3.511) 6.848 19.362 ( -5.880 0.000 3.511) 6.848 19.574 ( -2.654 0.000 -14.198) 14.444 19.574 ( -2.654 0.000 14.198) 14.444 21.063 ( 6.965 0.000 -1.445) 7.113 21.063 ( 6.965 0.000 1.445) 7.113 21.287 ( -0.070 0.000 -1.788) 1.789 21.287 ( -0.070 0.000 1.788) 1.789 21.526 ( 0.890 0.000 -12.119) 12.152 21.526 ( 0.890 0.000 12.119) 12.152 23.908 ( -9.105 0.000 -4.526) 10.168 23.908 ( -9.105 0.000 4.526) 10.168 25.027 ( -0.308 0.000 -2.469) 2.489 25.027 ( -0.308 0.000 2.469) 2.489 25.506 ( 3.364 0.000 -2.242) 4.043 25.506 ( 3.364 0.000 2.242) 4.043 25.676 ( -0.559 0.000 -2.641) 2.699 25.676 ( -0.559 0.000 2.641) 2.699 25.902 ( 1.904 0.000 -3.933) 4.370 25.902 ( 1.904 0.000 3.933) 4.370 ======================= Grid point 249 (83/96) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.128 ( -4.860 0.000 -7.692) 9.099 4.128 ( -4.860 0.000 7.692) 9.099 4.300 ( -9.416 0.000 -16.403) 18.913 4.300 ( -9.416 0.000 16.403) 18.913 4.958 ( 0.551 0.000 -8.060) 8.079 4.958 ( 0.551 0.000 8.060) 8.079 5.196 ( 6.015 0.000 -7.669) 9.746 5.196 ( 6.015 0.000 7.669) 9.746 5.331 ( 9.003 0.000 -7.237) 11.551 5.331 ( 9.003 0.000 7.237) 11.551 5.527 ( -5.301 0.000 -8.823) 10.293 5.527 ( -5.301 0.000 8.823) 10.293 6.059 ( 5.070 0.000 -3.679) 6.264 6.059 ( 5.070 0.000 3.679) 6.264 6.087 ( -0.507 0.000 -6.892) 6.911 6.087 ( -0.507 0.000 6.892) 6.911 6.291 ( -6.711 0.000 -5.726) 8.822 6.291 ( -6.711 0.000 5.726) 8.822 6.576 ( -2.178 0.000 -3.290) 3.945 6.576 ( -2.178 0.000 3.290) 3.945 7.026 ( -0.362 0.000 -11.537) 11.543 7.026 ( -0.362 0.000 11.537) 11.543 7.209 ( 0.931 0.000 -1.640) 1.886 7.209 ( 0.931 0.000 1.640) 1.886 7.583 ( -0.255 0.000 -3.922) 3.930 7.583 ( -0.255 0.000 3.922) 3.930 7.917 ( 9.284 0.000 -8.222) 12.402 7.917 ( 9.284 0.000 8.222) 12.402 8.025 ( 6.816 0.000 -3.349) 7.594 8.025 ( 6.816 0.000 3.349) 7.594 8.372 ( -2.296 0.000 -4.159) 4.751 8.372 ( -2.296 0.000 4.159) 4.751 8.378 ( 8.491 0.000 -2.546) 8.865 8.378 ( 8.491 0.000 2.546) 8.865 8.853 ( 5.830 0.000 -11.088) 12.528 8.853 ( 5.830 0.000 11.088) 12.528 9.114 ( 9.980 0.000 -3.893) 10.713 9.114 ( 9.980 0.000 3.893) 10.713 9.244 ( -11.447 0.000 -11.827) 16.459 9.244 ( -11.447 0.000 11.827) 16.459 9.702 ( -3.954 0.000 -1.441) 4.208 9.702 ( -3.954 0.000 1.441) 4.208 9.768 ( -9.871 0.000 -5.578) 11.338 9.768 ( -9.871 0.000 5.578) 11.338 10.419 ( -2.198 0.000 -7.835) 8.137 10.419 ( -2.198 0.000 7.835) 8.137 10.778 ( -15.759 0.000 -15.290) 21.957 10.778 ( -15.759 0.000 15.290) 21.957 11.243 ( 16.180 0.000 -11.731) 19.985 11.243 ( 16.180 0.000 11.731) 19.985 11.751 ( -10.172 0.000 -6.766) 12.217 11.751 ( -10.172 0.000 6.766) 12.217 12.060 ( -7.192 0.000 -2.858) 7.739 12.060 ( -7.192 0.000 2.858) 7.739 13.054 ( 0.404 0.000 -3.162) 3.188 13.054 ( 0.404 0.000 3.162) 3.188 13.416 ( 3.859 0.000 -11.894) 12.504 13.416 ( 3.859 0.000 11.894) 12.504 13.936 ( 6.499 0.000 -5.715) 8.654 13.936 ( 6.499 0.000 5.715) 8.654 13.943 ( 22.629 0.000 -13.884) 26.549 13.943 ( 22.629 0.000 13.884) 26.549 14.513 ( 6.495 0.000 -17.974) 19.112 14.513 ( 6.495 0.000 17.974) 19.112 14.905 ( -9.360 0.000 -4.896) 10.564 14.905 ( -9.360 0.000 4.896) 10.564 15.242 ( -20.117 0.000 -11.759) 23.302 15.242 ( -20.117 0.000 11.759) 23.302 15.882 ( 1.504 0.000 -5.080) 5.298 15.882 ( 1.504 0.000 5.080) 5.298 16.010 ( -0.922 0.000 -5.808) 5.880 16.010 ( -0.922 0.000 5.808) 5.880 16.690 ( 1.011 0.000 -5.226) 5.323 16.690 ( 1.011 0.000 5.226) 5.323 16.817 ( -11.492 0.000 -1.543) 11.595 16.817 ( -11.492 0.000 1.543) 11.595 17.085 ( 7.338 0.000 -2.480) 7.746 17.085 ( 7.338 0.000 2.480) 7.746 17.225 ( 7.128 0.000 -4.821) 8.605 17.225 ( 7.128 0.000 4.821) 8.605 17.619 ( -4.302 0.000 -4.245) 6.043 17.619 ( -4.302 0.000 4.245) 6.043 17.750 ( 2.516 0.000 -4.092) 4.803 17.750 ( 2.516 0.000 4.092) 4.803 18.047 ( 1.131 0.000 -2.687) 2.915 18.047 ( 1.131 0.000 2.687) 2.915 18.762 ( 6.439 0.000 -2.871) 7.050 18.762 ( 6.439 0.000 2.871) 7.050 19.242 ( -5.887 0.000 -3.060) 6.635 19.242 ( -5.887 0.000 3.060) 6.635 19.512 ( -3.494 0.000 -9.718) 10.327 19.512 ( -3.494 0.000 9.718) 10.327 21.201 ( 6.525 0.000 -3.536) 7.421 21.201 ( 6.525 0.000 3.536) 7.421 21.286 ( -0.070 0.000 -1.035) 1.037 21.286 ( -0.070 0.000 1.035) 1.037 21.550 ( 1.511 0.000 -10.363) 10.473 21.550 ( 1.511 0.000 10.363) 10.473 23.724 ( -9.075 0.000 -3.700) 9.800 23.724 ( -9.075 0.000 3.700) 9.800 25.021 ( -0.309 0.000 -1.426) 1.459 25.021 ( -0.309 0.000 1.426) 1.459 25.571 ( 3.033 0.000 -0.964) 3.183 25.571 ( 3.033 0.000 0.964) 3.183 25.666 ( -0.390 0.000 -1.260) 1.318 25.666 ( -0.390 0.000 1.260) 1.318 25.937 ( 1.476 0.000 -2.735) 3.107 25.937 ( 1.476 0.000 2.735) 3.107 ======================= Grid point 251 (84/96) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.080 ( 0.000 0.000 0.000) 0.000 4.080 ( 0.000 0.000 0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 4.963 ( 0.000 0.000 -0.000) 0.000 4.963 ( 0.000 0.000 0.000) 0.000 5.274 ( 0.000 0.000 0.000) 0.000 5.274 ( 0.000 0.000 0.000) 0.000 5.424 ( 0.000 0.000 0.000) 0.000 5.424 ( 0.000 0.000 0.000) 0.000 5.455 ( -0.000 0.000 -0.000) 0.000 5.455 ( -0.000 0.000 0.000) 0.000 6.103 ( -0.000 0.000 0.000) 0.000 6.103 ( -0.000 0.000 0.000) 0.000 6.114 ( 0.000 0.000 -0.000) 0.000 6.114 ( 0.000 0.000 0.000) 0.000 6.198 ( 0.000 0.000 -0.000) 0.000 6.198 ( 0.000 0.000 0.000) 0.000 6.551 ( 0.000 0.000 0.000) 0.000 6.551 ( 0.000 0.000 0.000) 0.000 7.022 ( 0.000 0.000 0.000) 0.000 7.022 ( 0.000 0.000 0.000) 0.000 7.216 ( 0.000 0.000 0.000) 0.000 7.216 ( 0.000 0.000 0.000) 0.000 7.571 ( 0.000 0.000 -0.000) 0.000 7.571 ( 0.000 0.000 0.000) 0.000 8.034 ( 0.000 0.000 0.000) 0.000 8.034 ( 0.000 0.000 0.000) 0.000 8.091 ( 0.000 0.000 0.000) 0.000 8.091 ( 0.000 0.000 0.000) 0.000 8.331 ( -0.000 0.000 0.000) 0.000 8.331 ( 0.000 0.000 0.000) 0.000 8.493 ( 0.000 0.000 0.000) 0.000 8.493 ( 0.000 0.000 0.000) 0.000 8.856 ( 0.000 0.000 0.000) 0.000 8.856 ( -0.000 0.000 0.000) 0.000 9.124 ( 0.000 0.000 -0.000) 0.000 9.124 ( 0.000 0.000 0.000) 0.000 9.349 ( 0.000 0.000 0.000) 0.000 9.349 ( 0.000 0.000 0.000) 0.000 9.583 ( -0.000 0.000 0.000) 0.000 9.583 ( 0.000 0.000 0.000) 0.000 9.669 ( 0.000 0.000 0.000) 0.000 9.669 ( 0.000 0.000 0.000) 0.000 10.414 ( 0.000 0.000 -0.000) 0.000 10.414 ( 0.000 0.000 0.000) 0.000 10.588 ( -0.000 0.000 -0.000) 0.000 10.588 ( 0.000 0.000 0.000) 0.000 11.433 ( -0.000 0.000 -0.000) 0.000 11.433 ( 0.000 0.000 0.000) 0.000 11.617 ( 0.000 0.000 -0.000) 0.000 11.617 ( 0.000 0.000 0.000) 0.000 11.997 ( 0.000 0.000 0.000) 0.000 11.997 ( 0.000 0.000 0.000) 0.000 13.055 ( 0.000 0.000 0.000) 0.000 13.055 ( 0.000 0.000 0.000) 0.000 13.458 ( -0.000 0.000 -0.000) 0.000 13.458 ( -0.000 0.000 0.000) 0.000 13.978 ( 0.000 0.000 -0.000) 0.000 13.978 ( 0.000 0.000 0.000) 0.000 14.236 ( -0.000 0.000 0.000) 0.000 14.236 ( 0.000 0.000 0.000) 0.000 14.696 ( -0.000 0.000 0.000) 0.000 14.696 ( 0.000 0.000 0.000) 0.000 14.721 ( 0.000 0.000 0.000) 0.000 14.721 ( 0.000 0.000 0.000) 0.000 14.936 ( -0.000 0.000 -0.000) 0.000 14.936 ( -0.000 0.000 0.000) 0.000 15.948 ( 0.000 0.000 0.000) 0.000 15.948 ( 0.000 0.000 0.000) 0.000 16.009 ( -0.000 0.000 0.000) 0.000 16.009 ( 0.000 0.000 0.000) 0.000 16.674 ( -0.000 0.000 0.000) 0.000 16.674 ( 0.000 0.000 0.000) 0.000 16.697 ( 0.000 0.000 0.000) 0.000 16.697 ( 0.000 0.000 0.000) 0.000 17.156 ( 0.000 0.000 0.000) 0.000 17.156 ( 0.000 0.000 0.000) 0.000 17.307 ( 0.000 0.000 0.000) 0.000 17.307 ( 0.000 0.000 0.000) 0.000 17.564 ( -0.000 0.000 -0.000) 0.000 17.564 ( 0.000 0.000 0.000) 0.000 17.780 ( 0.000 0.000 0.000) 0.000 17.780 ( 0.000 0.000 0.000) 0.000 18.057 ( 0.000 0.000 -0.000) 0.000 18.057 ( 0.000 0.000 0.000) 0.000 18.831 ( 0.000 0.000 0.000) 0.000 18.831 ( 0.000 0.000 0.000) 0.000 19.182 ( 0.000 0.000 0.000) 0.000 19.182 ( 0.000 0.000 0.000) 0.000 19.473 ( -0.000 0.000 -0.000) 0.000 19.473 ( 0.000 0.000 0.000) 0.000 21.265 ( 0.000 0.000 0.000) 0.000 21.265 ( -0.000 0.000 0.000) 0.000 21.285 ( 0.000 0.000 0.000) 0.000 21.285 ( 0.000 0.000 0.000) 0.000 21.568 ( 0.000 0.000 -0.000) 0.000 21.568 ( 0.000 0.000 0.000) 0.000 23.630 ( -0.000 0.000 0.000) 0.000 23.630 ( 0.000 0.000 0.000) 0.000 25.018 ( 0.000 0.000 0.000) 0.000 25.018 ( 0.000 0.000 0.000) 0.000 25.602 ( 0.000 0.000 0.000) 0.000 25.602 ( 0.000 0.000 0.000) 0.000 25.663 ( 0.000 0.000 0.000) 0.000 25.663 ( 0.000 0.000 0.000) 0.000 25.951 ( 0.000 0.000 0.000) 0.000 25.951 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 259 (85/96) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.360 ( 0.000 5.913 -17.316) 18.298 4.360 ( 0.000 5.913 17.316) 18.298 4.654 ( 0.000 -10.190 -11.583) 15.428 4.654 ( 0.000 -10.190 11.583) 15.428 4.835 ( 0.000 -0.282 -17.626) 17.628 4.835 ( 0.000 -0.282 17.626) 17.628 4.922 ( 0.000 -0.493 -1.849) 1.914 4.922 ( 0.000 -0.493 1.849) 1.914 5.185 ( 0.000 5.810 -2.108) 6.180 5.185 ( 0.000 5.810 2.108) 6.180 5.734 ( 0.000 7.446 -5.301) 9.141 5.734 ( 0.000 7.446 5.301) 9.141 5.970 ( 0.000 2.747 -9.554) 9.941 5.970 ( 0.000 2.747 9.554) 9.941 6.231 ( 0.000 3.101 -11.785) 12.186 6.231 ( 0.000 3.101 11.785) 12.186 6.389 ( 0.000 3.793 -2.807) 4.719 6.389 ( 0.000 3.793 2.807) 4.719 6.744 ( 0.000 6.420 -2.517) 6.896 6.744 ( 0.000 6.420 2.517) 6.896 6.847 ( 0.000 -8.557 -15.820) 17.985 6.847 ( 0.000 -8.557 15.820) 17.985 7.201 ( 0.000 -1.638 -14.829) 14.919 7.201 ( 0.000 -1.638 14.829) 14.919 7.343 ( 0.000 -10.493 -2.981) 10.908 7.343 ( 0.000 -10.493 2.981) 10.908 7.639 ( 0.000 -0.568 -8.378) 8.397 7.639 ( 0.000 -0.568 8.378) 8.397 7.964 ( 0.000 1.456 -11.734) 11.824 7.964 ( 0.000 1.456 11.734) 11.824 8.153 ( 0.000 -4.282 -6.848) 8.077 8.153 ( 0.000 -4.282 6.848) 8.077 8.437 ( 0.000 3.992 -3.409) 5.249 8.437 ( 0.000 3.992 3.409) 5.249 8.821 ( 0.000 23.100 -3.986) 23.442 8.821 ( 0.000 23.100 3.986) 23.442 9.086 ( 0.000 0.365 -7.340) 7.349 9.086 ( 0.000 0.365 7.340) 7.349 9.553 ( 0.000 2.722 -1.730) 3.226 9.553 ( 0.000 2.722 1.730) 3.226 9.911 ( 0.000 -0.509 -6.859) 6.878 9.911 ( 0.000 -0.509 6.859) 6.878 10.063 ( 0.000 2.063 -4.669) 5.105 10.063 ( 0.000 2.063 4.669) 5.105 10.431 ( 0.000 -8.411 -0.042) 8.411 10.431 ( 0.000 -8.411 0.042) 8.411 10.662 ( 0.000 -0.733 -1.477) 1.649 10.662 ( 0.000 -0.733 1.477) 1.649 11.130 ( 0.000 0.600 -3.376) 3.429 11.130 ( 0.000 0.600 3.376) 3.429 11.854 ( 0.000 -17.027 -2.420) 17.198 11.854 ( 0.000 -17.027 2.420) 17.198 12.302 ( 0.000 -14.329 -0.913) 14.358 12.302 ( 0.000 -14.329 0.913) 14.358 12.502 ( 0.000 -26.771 -0.446) 26.775 12.502 ( 0.000 -26.771 0.446) 26.775 13.300 ( 0.000 -0.221 -11.100) 11.103 13.300 ( 0.000 -0.221 11.100) 11.103 13.598 ( 0.000 13.117 -6.778) 14.765 13.598 ( 0.000 13.117 6.778) 14.765 13.909 ( 0.000 19.115 -2.073) 19.227 13.909 ( 0.000 19.115 2.073) 19.227 14.789 ( 0.000 3.459 -7.612) 8.361 14.789 ( 0.000 3.459 7.612) 8.361 14.828 ( 0.000 14.165 -10.647) 17.720 14.828 ( 0.000 14.165 10.647) 17.720 15.601 ( 0.000 1.489 -2.537) 2.942 15.601 ( 0.000 1.489 2.537) 2.942 16.073 ( 0.000 -6.266 -5.468) 8.316 16.073 ( 0.000 -6.266 5.468) 8.316 16.376 ( 0.000 1.964 -7.939) 8.179 16.376 ( 0.000 1.964 7.939) 8.179 16.481 ( 0.000 -5.592 -3.104) 6.396 16.481 ( 0.000 -5.592 3.104) 6.396 16.692 ( 0.000 3.198 -0.976) 3.343 16.692 ( 0.000 3.198 0.976) 3.343 17.023 ( 0.000 -1.602 -8.902) 9.045 17.023 ( 0.000 -1.602 8.902) 9.045 17.185 ( 0.000 6.563 -3.214) 7.307 17.185 ( 0.000 6.563 3.214) 7.307 17.616 ( 0.000 -7.029 -0.886) 7.085 17.616 ( 0.000 -7.029 0.886) 7.085 17.728 ( 0.000 -0.068 -9.031) 9.031 17.728 ( 0.000 -0.068 9.031) 9.031 17.956 ( 0.000 -2.994 -8.540) 9.049 17.956 ( 0.000 -2.994 8.540) 9.049 18.648 ( 0.000 5.440 -4.677) 7.175 18.648 ( 0.000 5.440 4.677) 7.175 19.397 ( 0.000 -2.259 -2.856) 3.641 19.397 ( 0.000 -2.259 2.856) 3.641 19.581 ( 0.000 -1.840 -13.333) 13.459 19.581 ( 0.000 -1.840 13.333) 13.459 20.991 ( 0.000 -0.009 -0.126) 0.126 20.991 ( 0.000 -0.009 0.126) 0.126 21.295 ( 0.000 0.569 -2.454) 2.519 21.295 ( 0.000 0.569 2.454) 2.519 21.572 ( 0.000 5.187 -11.147) 12.295 21.572 ( 0.000 5.187 11.147) 12.295 23.884 ( 0.000 -10.429 -4.529) 11.370 23.884 ( 0.000 -10.429 4.529) 11.370 25.120 ( 0.000 7.779 -1.931) 8.015 25.120 ( 0.000 7.779 1.931) 8.015 25.473 ( 0.000 0.286 -2.240) 2.258 25.473 ( 0.000 0.286 2.240) 2.258 25.677 ( 0.000 -0.456 -3.012) 3.047 25.677 ( 0.000 -0.456 3.012) 3.047 25.855 ( 0.000 -2.602 -3.729) 4.547 25.855 ( 0.000 -2.602 3.729) 4.547 ======================= Grid point 261 (86/96) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.274 ( -7.031 2.688 -13.127) 15.132 4.274 ( -7.031 2.688 13.127) 15.132 4.568 ( -10.253 4.173 -17.169) 20.428 4.568 ( -10.253 4.173 17.169) 20.428 4.855 ( 3.109 -8.983 -10.045) 13.830 4.855 ( 3.109 -8.983 10.045) 13.830 4.969 ( 5.207 -2.705 -10.779) 12.272 4.969 ( 5.207 -2.705 10.779) 12.272 5.240 ( 4.405 4.650 -5.201) 8.251 5.240 ( 4.405 4.650 5.201) 8.251 5.745 ( -0.044 9.405 -6.663) 11.525 5.745 ( -0.044 9.405 6.663) 11.525 5.961 ( -0.114 -0.196 -7.771) 7.774 5.961 ( -0.114 -0.196 7.771) 7.774 6.131 ( -5.985 -0.363 -9.842) 11.524 6.131 ( -5.985 -0.363 9.842) 11.524 6.410 ( -0.912 4.280 -0.935) 4.474 6.410 ( -0.912 4.280 0.935) 4.474 6.733 ( -1.348 10.009 -2.626) 10.435 6.733 ( -1.348 10.009 2.626) 10.435 6.886 ( 3.866 -8.990 -14.822) 17.761 6.886 ( 3.866 -8.990 14.822) 17.761 7.242 ( 1.956 1.716 -5.560) 6.139 7.242 ( 1.956 1.716 5.560) 6.139 7.459 ( 9.906 -8.533 -2.130) 13.246 7.459 ( 9.906 -8.533 2.130) 13.246 7.669 ( 4.910 -3.436 -7.181) 9.353 7.669 ( 4.910 -3.436 7.181) 9.353 7.954 ( 0.807 0.979 -5.140) 5.294 7.954 ( 0.807 0.979 5.140) 5.294 8.172 ( 2.836 -0.875 -6.556) 7.196 8.172 ( 2.836 -0.875 6.556) 7.196 8.552 ( 10.134 2.678 -10.982) 15.182 8.552 ( 10.134 2.678 10.982) 15.182 8.809 ( -1.282 18.780 -2.858) 19.039 8.809 ( -1.282 18.780 2.858) 19.039 9.065 ( -2.270 0.463 -4.354) 4.932 9.065 ( -2.270 0.463 4.354) 4.932 9.489 ( -6.152 3.448 -5.414) 8.891 9.489 ( -6.152 3.448 5.414) 8.891 9.826 ( -7.493 -1.023 -3.816) 8.470 9.826 ( -7.493 -1.023 3.816) 8.470 9.969 ( -6.928 6.262 -2.593) 9.692 9.969 ( -6.928 6.262 2.593) 9.692 10.465 ( -0.916 -3.444 -0.438) 3.590 10.465 ( -0.916 -3.444 0.438) 3.590 10.702 ( 3.160 -12.396 -2.297) 12.997 10.702 ( 3.160 -12.396 2.297) 12.997 11.125 ( 0.520 2.224 -6.326) 6.726 11.125 ( 0.520 2.224 6.326) 6.726 11.765 ( -8.349 -15.823 -3.308) 18.194 11.765 ( -8.349 -15.823 3.308) 18.194 12.116 ( -11.474 -13.911 -4.411) 18.564 12.116 ( -11.474 -13.911 4.411) 18.564 12.654 ( 8.332 -21.322 -8.967) 24.585 12.654 ( 8.332 -21.322 8.967) 24.585 13.371 ( 5.860 -3.368 -9.083) 11.321 13.371 ( 5.860 -3.368 9.083) 11.321 13.672 ( 9.106 14.344 -5.296) 17.797 13.672 ( 9.106 14.344 5.296) 17.797 14.017 ( 10.952 14.951 -1.132) 18.568 14.017 ( 10.952 14.951 1.132) 18.568 14.735 ( -4.380 14.335 -10.473) 18.286 14.735 ( -4.380 14.335 10.473) 18.286 14.883 ( 3.495 3.962 -12.854) 13.897 14.883 ( 3.495 3.962 12.854) 13.897 15.584 ( -3.889 4.974 -2.056) 6.640 15.584 ( -3.889 4.974 2.056) 6.640 15.871 ( -14.208 -7.235 -4.146) 16.475 15.871 ( -14.208 -7.235 4.146) 16.475 16.230 ( -12.128 4.880 -7.487) 15.065 16.230 ( -12.128 4.880 7.487) 15.065 16.540 ( 2.257 -7.305 -6.858) 10.271 16.540 ( 2.257 -7.305 6.858) 10.271 16.790 ( 8.452 -5.751 -1.257) 10.300 16.790 ( 8.452 -5.751 1.257) 10.300 17.121 ( 7.530 1.376 -6.893) 10.301 17.121 ( 7.530 1.376 6.893) 10.301 17.157 ( -2.026 9.825 -2.146) 10.259 17.157 ( -2.026 9.825 2.146) 10.259 17.629 ( 0.726 -5.640 -2.536) 6.226 17.629 ( 0.726 -5.640 2.536) 6.226 17.704 ( -1.791 -0.747 -8.361) 8.583 17.704 ( -1.791 -0.747 8.361) 8.583 17.987 ( 3.059 -2.153 -6.279) 7.309 17.987 ( 3.059 -2.153 6.279) 7.309 18.674 ( 2.408 2.683 -4.204) 5.538 18.674 ( 2.408 2.683 4.204) 5.538 19.344 ( -4.833 -1.392 -3.309) 6.021 19.344 ( -4.833 -1.392 3.309) 6.021 19.560 ( -2.364 -1.511 -12.070) 12.392 19.560 ( -2.364 -1.511 12.070) 12.392 21.059 ( 6.501 -0.308 -0.898) 6.570 21.059 ( 6.501 -0.308 0.898) 6.570 21.294 ( -0.175 0.481 -2.197) 2.256 21.294 ( -0.175 0.481 2.197) 2.256 21.596 ( 2.638 6.699 -11.217) 13.329 21.596 ( 2.638 6.699 11.217) 13.329 23.777 ( -10.498 -11.763 -4.843) 16.493 23.777 ( -10.498 -11.763 4.843) 16.493 25.121 ( 0.122 8.174 -1.708) 8.352 25.121 ( 0.122 8.174 1.708) 8.352 25.509 ( 3.361 0.382 -1.513) 3.705 25.509 ( 3.361 0.382 1.513) 3.705 25.671 ( -0.565 -0.473 -2.389) 2.500 25.671 ( -0.565 -0.473 2.389) 2.500 25.874 ( 1.713 -2.855 -3.708) 4.984 25.874 ( 1.713 -2.855 3.708) 4.984 ======================= Grid point 263 (87/96) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.168 ( -3.309 2.705 -8.090) 9.149 4.168 ( -3.309 2.705 8.090) 9.149 4.349 ( -11.254 5.675 -8.214) 15.044 4.349 ( -11.254 5.675 8.214) 15.044 4.910 ( 2.174 -5.419 -4.105) 7.138 4.910 ( 2.174 -5.419 4.105) 7.138 5.098 ( 7.816 -6.880 -2.551) 10.720 5.098 ( 7.816 -6.880 2.551) 10.720 5.302 ( 1.401 1.370 -6.119) 6.425 5.302 ( 1.401 1.370 6.119) 6.425 5.711 ( -2.616 10.283 -5.610) 12.002 5.711 ( -2.616 10.283 5.610) 12.002 5.970 ( 0.584 -3.026 -2.603) 4.033 5.970 ( 0.584 -3.026 2.603) 4.033 6.081 ( -0.183 -5.562 -6.703) 8.711 6.081 ( -0.183 -5.562 6.703) 8.711 6.362 ( -2.698 8.901 -1.375) 9.402 6.362 ( -2.698 8.901 1.375) 9.402 6.696 ( -2.408 10.273 -1.485) 10.655 6.696 ( -2.408 10.273 1.485) 10.655 6.967 ( 4.439 -4.643 -9.504) 11.471 6.967 ( 4.439 -4.643 9.504) 11.471 7.238 ( -2.095 1.941 -4.060) 4.964 7.238 ( -2.095 1.941 4.060) 4.964 7.521 ( -1.452 -4.418 -3.042) 5.557 7.521 ( -1.452 -4.418 3.042) 5.557 7.903 ( 14.663 -4.389 -2.436) 15.498 7.903 ( 14.663 -4.389 2.436) 15.498 8.026 ( 7.567 0.325 -6.167) 9.767 8.026 ( 7.567 0.325 6.167) 9.767 8.273 ( 7.325 2.791 -5.893) 9.806 8.273 ( 7.325 2.791 5.893) 9.806 8.651 ( -4.791 12.453 -2.195) 13.522 8.651 ( -4.791 12.453 2.195) 13.522 8.802 ( 0.330 -1.318 -7.743) 7.861 8.802 ( 0.330 -1.318 7.743) 7.861 9.065 ( 7.308 -2.197 -6.630) 10.109 9.065 ( 7.308 -2.197 6.630) 10.109 9.391 ( -2.717 11.685 -6.623) 13.704 9.391 ( -2.717 11.685 6.623) 13.704 9.699 ( -6.581 -0.544 -1.305) 6.731 9.699 ( -6.581 -0.544 1.305) 6.731 9.804 ( -10.838 2.817 -1.126) 11.254 9.804 ( -10.838 2.817 1.126) 11.254 10.418 ( -2.379 -0.227 -4.660) 5.237 10.418 ( -2.379 -0.227 4.660) 5.237 10.660 ( -7.297 -10.964 -8.356) 15.597 10.660 ( -7.297 -10.964 8.356) 15.597 11.191 ( 5.700 -7.326 -6.078) 11.095 11.191 ( 5.700 -7.326 6.078) 11.095 11.607 ( -7.438 -14.398 -2.261) 16.363 11.607 ( -7.438 -14.398 2.261) 16.363 11.969 ( -4.417 -5.239 -1.608) 7.038 11.969 ( -4.417 -5.239 1.608) 7.038 12.747 ( 2.289 -19.345 -5.030) 20.119 12.747 ( 2.289 -19.345 5.030) 20.119 13.456 ( 3.018 -2.204 -1.656) 4.088 13.456 ( 3.018 -2.204 1.656) 4.088 13.954 ( 20.114 10.592 -5.758) 23.450 13.954 ( 20.114 10.592 5.758) 23.450 14.250 ( 11.470 8.869 -3.172) 14.842 14.250 ( 11.470 8.869 3.172) 14.842 14.647 ( -5.437 15.254 -7.835) 17.990 14.647 ( -5.437 15.254 7.835) 17.990 14.883 ( -3.489 4.674 -9.811) 11.414 14.883 ( -3.489 4.674 9.811) 11.414 15.373 ( -16.798 11.161 -7.520) 21.524 15.373 ( -16.798 11.161 7.520) 21.524 15.742 ( 0.408 -9.668 -2.333) 9.954 15.742 ( 0.408 -9.668 2.333) 9.954 16.056 ( -5.859 0.551 -1.627) 6.105 16.056 ( -5.859 0.551 1.627) 6.105 16.577 ( 2.960 -6.446 -2.124) 7.405 16.577 ( 2.960 -6.446 2.124) 7.405 16.849 ( -3.985 -5.275 -3.526) 7.493 16.849 ( -3.985 -5.275 3.526) 7.493 17.137 ( 1.868 7.920 -3.937) 9.040 17.137 ( 1.868 7.920 3.937) 9.040 17.273 ( 7.139 4.168 -4.099) 9.227 17.273 ( 7.139 4.168 4.099) 9.227 17.606 ( -2.810 -1.535 -5.132) 6.049 17.606 ( -2.810 -1.535 5.132) 6.049 17.702 ( 1.079 -4.458 -3.020) 5.491 17.702 ( 1.079 -4.458 3.020) 5.491 18.052 ( 3.431 0.979 -3.838) 5.240 18.052 ( 3.431 0.979 3.838) 5.240 18.714 ( 1.277 -4.442 -2.747) 5.377 18.714 ( 1.277 -4.442 2.747) 5.377 19.264 ( -2.705 2.021 -3.036) 4.541 19.264 ( -2.705 2.021 3.036) 4.541 19.500 ( -3.665 -1.335 -8.511) 9.362 19.500 ( -3.665 -1.335 8.511) 9.362 21.185 ( 5.976 -1.093 -1.793) 6.334 21.185 ( 5.976 -1.093 1.793) 6.334 21.287 ( -0.675 0.050 -1.395) 1.550 21.287 ( -0.675 0.050 1.395) 1.550 21.665 ( 4.338 10.922 -8.749) 14.651 21.665 ( 4.338 10.922 8.749) 14.651 23.560 ( -10.920 -15.108 -4.026) 19.072 23.560 ( -10.920 -15.108 4.026) 19.072 25.124 ( 0.188 9.136 -1.010) 9.194 25.124 ( 0.188 9.136 1.010) 9.194 25.570 ( 2.589 -0.077 -0.749) 2.696 25.570 ( 2.589 -0.077 0.749) 2.696 25.663 ( -0.165 -0.306 -1.392) 1.435 25.663 ( -0.165 -0.306 1.392) 1.435 25.905 ( 1.406 -3.127 -2.594) 4.300 25.905 ( 1.406 -3.127 2.594) 4.300 ======================= Grid point 265 (88/96) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.158 ( 0.000 7.168 0.000) 7.168 4.158 ( -0.000 7.168 0.000) 7.168 4.216 ( 0.000 0.922 -0.000) 0.922 4.216 ( 0.000 0.922 0.000) 0.922 4.930 ( 0.000 -3.527 -0.000) 3.527 4.930 ( 0.000 -3.527 0.000) 3.527 5.201 ( 0.000 -10.527 0.000) 10.527 5.201 ( 0.000 -10.527 0.000) 10.527 5.291 ( -0.000 2.260 -0.000) 2.260 5.291 ( 0.000 2.260 0.000) 2.260 5.685 ( -0.000 9.137 0.000) 9.137 5.685 ( 0.000 9.137 0.000) 9.137 5.980 ( 0.000 -3.357 -0.000) 3.357 5.980 ( 0.000 -3.357 0.000) 3.357 6.075 ( -0.000 -8.478 -0.000) 8.478 6.075 ( 0.000 -8.478 0.000) 8.478 6.342 ( 0.000 13.745 -0.000) 13.745 6.342 ( 0.000 13.745 0.000) 13.745 6.667 ( 0.000 9.089 0.000) 9.089 6.667 ( 0.000 9.089 0.000) 9.089 7.021 ( -0.000 0.074 0.000) 0.074 7.021 ( 0.000 0.074 0.000) 0.074 7.203 ( 0.000 -1.981 -0.000) 1.981 7.203 ( 0.000 -1.981 0.000) 1.981 7.499 ( 0.000 -3.040 0.000) 3.040 7.499 ( 0.000 -3.040 0.000) 3.040 8.004 ( 0.000 -6.471 0.000) 6.471 8.004 ( 0.000 -6.471 0.000) 6.471 8.220 ( 0.000 13.864 -0.000) 13.864 8.220 ( 0.000 13.864 0.000) 13.864 8.347 ( -0.000 -3.757 0.000) 3.757 8.347 ( 0.000 -3.757 0.000) 3.757 8.520 ( -0.000 7.286 -0.000) 7.286 8.520 ( -0.000 7.286 0.000) 7.286 8.783 ( 0.000 -4.568 0.000) 4.568 8.783 ( -0.000 -4.568 0.000) 4.568 9.236 ( 0.000 7.371 0.000) 7.371 9.236 ( 0.000 7.371 0.000) 7.371 9.420 ( 0.000 9.255 0.000) 9.255 9.420 ( 0.000 9.255 0.000) 9.255 9.526 ( 0.000 -5.291 0.000) 5.291 9.526 ( -0.000 -5.291 0.000) 5.291 9.697 ( -0.000 0.591 -0.000) 0.591 9.697 ( 0.000 0.591 0.000) 0.591 10.400 ( 0.000 -0.928 -0.000) 0.928 10.400 ( 0.000 -0.928 0.000) 0.928 10.562 ( -0.000 -3.487 -0.000) 3.487 10.562 ( 0.000 -3.487 0.000) 3.487 11.260 ( -0.000 -16.132 -0.000) 16.132 11.260 ( 0.000 -16.132 0.000) 16.132 11.528 ( 0.000 -11.987 0.000) 11.987 11.528 ( 0.000 -11.987 0.000) 11.987 11.932 ( 0.000 -0.748 0.000) 0.748 11.932 ( 0.000 -0.748 0.000) 0.748 12.765 ( 0.000 -20.142 0.000) 20.142 12.765 ( 0.000 -20.142 0.000) 20.142 13.484 ( 0.000 -0.331 0.000) 0.331 13.484 ( 0.000 -0.331 0.000) 0.331 14.289 ( -0.000 9.979 -0.000) 9.979 14.289 ( 0.000 9.979 -0.000) 9.979 14.328 ( -0.000 17.473 0.000) 17.473 14.328 ( 0.000 17.473 0.000) 17.473 14.500 ( 0.000 -8.245 0.000) 8.245 14.500 ( 0.000 -8.245 0.000) 8.245 14.892 ( 0.000 16.066 -0.000) 16.066 14.892 ( -0.000 16.066 0.000) 16.066 15.136 ( 0.000 14.117 0.000) 14.117 15.136 ( -0.000 14.117 0.000) 14.117 15.783 ( 0.000 -12.317 0.000) 12.317 15.783 ( 0.000 -12.317 0.000) 12.317 15.995 ( 0.000 -1.990 -0.000) 1.990 15.995 ( 0.000 -1.990 0.000) 1.990 16.642 ( -0.000 -2.789 0.000) 2.789 16.642 ( 0.000 -2.789 0.000) 2.789 16.752 ( 0.000 -1.309 0.000) 1.309 16.752 ( 0.000 -1.309 0.000) 1.309 17.166 ( 0.000 3.769 0.000) 3.769 17.166 ( 0.000 3.769 0.000) 3.769 17.351 ( 0.000 3.747 0.000) 3.747 17.351 ( 0.000 3.747 0.000) 3.747 17.570 ( -0.000 0.605 0.000) 0.605 17.570 ( -0.000 0.605 0.000) 0.605 17.714 ( 0.000 -6.471 0.000) 6.471 17.714 ( 0.000 -6.471 0.000) 6.471 18.089 ( 0.000 3.480 -0.000) 3.480 18.089 ( 0.000 3.480 -0.000) 3.480 18.721 ( 0.000 -8.941 0.000) 8.941 18.721 ( 0.000 -8.941 0.000) 8.941 19.246 ( 0.000 4.664 0.000) 4.664 19.246 ( 0.000 4.664 0.000) 4.664 19.457 ( -0.000 -1.621 0.000) 1.621 19.457 ( 0.000 -1.621 0.000) 1.621 21.259 ( -0.000 -1.588 0.000) 1.588 21.259 ( -0.000 -1.588 0.000) 1.588 21.264 ( 0.000 -0.201 0.000) 0.201 21.264 ( 0.000 -0.201 -0.000) 0.201 21.716 ( 0.000 13.769 0.000) 13.769 21.716 ( 0.000 13.769 0.000) 13.769 23.446 ( -0.000 -17.352 -0.000) 17.352 23.446 ( 0.000 -17.352 0.000) 17.352 25.126 ( 0.000 9.675 0.000) 9.675 25.126 ( 0.000 9.675 0.000) 9.675 25.594 ( 0.000 -0.838 0.000) 0.838 25.594 ( 0.000 -0.838 0.000) 0.838 25.664 ( -0.000 0.148 0.000) 0.148 25.664 ( 0.000 0.148 0.000) 0.148 25.919 ( 0.000 -3.177 0.000) 3.177 25.919 ( 0.000 -3.177 0.000) 3.177 ======================= Grid point 273 (89/96) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.405 ( 0.000 -6.069 -15.536) 16.680 4.405 ( 0.000 -6.069 15.536) 16.680 4.516 ( 0.000 2.751 -9.154) 9.558 4.516 ( 0.000 2.751 9.154) 9.558 4.837 ( 0.000 -1.757 -10.555) 10.701 4.837 ( 0.000 -1.757 10.555) 10.701 4.936 ( 0.000 1.031 -0.979) 1.422 4.936 ( 0.000 1.031 0.979) 1.422 5.355 ( 0.000 12.335 -1.011) 12.376 5.355 ( 0.000 12.335 1.011) 12.376 5.809 ( 0.000 1.328 -3.449) 3.696 5.809 ( 0.000 1.328 3.449) 3.696 5.991 ( 0.000 -1.512 -3.794) 4.084 5.991 ( 0.000 -1.512 3.794) 4.084 6.389 ( 0.000 8.790 -5.722) 10.488 6.389 ( 0.000 8.790 5.722) 10.488 6.511 ( 0.000 5.120 -1.540) 5.347 6.511 ( 0.000 5.120 1.540) 5.347 6.535 ( 0.000 -8.704 -9.216) 12.676 6.535 ( 0.000 -8.704 9.216) 12.676 6.946 ( 0.000 -5.444 -11.925) 13.109 6.946 ( 0.000 -5.444 11.925) 13.109 7.095 ( 0.000 6.232 -0.378) 6.243 7.095 ( 0.000 6.232 0.378) 6.243 7.185 ( 0.000 -6.190 -2.016) 6.511 7.185 ( 0.000 -6.190 2.016) 6.511 7.632 ( 0.000 -3.907 -2.761) 4.784 7.632 ( 0.000 -3.907 2.761) 4.784 8.021 ( 0.000 3.684 -15.130) 15.572 8.021 ( 0.000 3.684 15.130) 15.572 8.100 ( 0.000 -1.827 -2.284) 2.925 8.100 ( 0.000 -1.827 2.284) 2.925 8.593 ( 0.000 12.164 -7.944) 14.528 8.593 ( 0.000 12.164 7.944) 14.528 9.023 ( 0.000 -0.383 -2.399) 2.430 9.023 ( 0.000 -0.383 2.399) 2.430 9.282 ( 0.000 16.049 -4.477) 16.662 9.282 ( 0.000 16.049 4.477) 16.662 9.581 ( 0.000 -0.679 -0.215) 0.712 9.581 ( 0.000 -0.679 0.215) 0.712 9.932 ( 0.000 2.243 -7.081) 7.428 9.932 ( 0.000 2.243 7.081) 7.428 10.082 ( 0.000 -2.186 -2.942) 3.666 10.082 ( 0.000 -2.186 2.942) 3.666 10.287 ( 0.000 -3.299 -9.416) 9.977 10.287 ( 0.000 -3.299 9.416) 9.977 10.575 ( 0.000 -7.860 -6.182) 9.999 10.575 ( 0.000 -7.860 6.182) 9.999 11.139 ( 0.000 1.251 -0.520) 1.354 11.139 ( 0.000 1.251 0.520) 1.354 11.505 ( 0.000 -16.046 -2.749) 16.280 11.505 ( 0.000 -16.046 2.749) 16.280 11.993 ( 0.000 -13.213 -4.037) 13.816 11.993 ( 0.000 -13.213 4.037) 13.816 12.092 ( 0.000 -15.533 -3.178) 15.855 12.092 ( 0.000 -15.533 3.178) 15.855 13.392 ( 0.000 8.310 -10.458) 13.358 13.392 ( 0.000 8.310 10.458) 13.358 13.728 ( 0.000 0.662 -4.698) 4.745 13.728 ( 0.000 0.662 4.698) 4.745 14.174 ( 0.000 5.384 -4.113) 6.775 14.174 ( 0.000 5.384 4.113) 6.775 14.883 ( 0.000 15.465 -8.594) 17.692 14.883 ( 0.000 15.465 8.594) 17.692 15.133 ( 0.000 6.439 -7.564) 9.934 15.133 ( 0.000 6.439 7.564) 9.934 15.649 ( 0.000 -4.502 -1.678) 4.804 15.649 ( 0.000 -4.502 1.678) 4.804 15.988 ( 0.000 6.011 -2.468) 6.497 15.988 ( 0.000 6.011 2.468) 6.497 16.332 ( 0.000 -3.889 -13.349) 13.904 16.332 ( 0.000 -3.889 13.349) 13.904 16.393 ( 0.000 -1.632 -6.156) 6.369 16.393 ( 0.000 -1.632 6.156) 6.369 16.833 ( 0.000 4.769 -2.811) 5.536 16.833 ( 0.000 4.769 2.811) 5.536 16.951 ( 0.000 -3.457 -0.662) 3.520 16.951 ( 0.000 -3.457 0.662) 3.520 17.239 ( 0.000 -4.671 -0.483) 4.696 17.239 ( 0.000 -4.671 0.483) 4.696 17.529 ( 0.000 2.039 -0.026) 2.039 17.529 ( 0.000 2.039 0.026) 2.039 17.710 ( 0.000 -1.883 -7.632) 7.861 17.710 ( 0.000 -1.883 7.632) 7.861 17.908 ( 0.000 -1.582 -6.463) 6.654 17.908 ( 0.000 -1.582 6.463) 6.654 18.749 ( 0.000 4.006 -1.862) 4.418 18.749 ( 0.000 4.006 1.862) 4.418 19.354 ( 0.000 -1.654 -2.717) 3.181 19.354 ( 0.000 -1.654 2.717) 3.181 19.535 ( 0.000 -2.567 -8.119) 8.515 19.535 ( 0.000 -2.567 8.119) 8.515 20.991 ( 0.000 0.038 -0.030) 0.049 20.991 ( 0.000 0.038 0.030) 0.049 21.305 ( 0.000 0.353 -1.806) 1.840 21.305 ( 0.000 0.353 1.806) 1.840 21.690 ( 0.000 5.840 -7.325) 9.369 21.690 ( 0.000 5.840 7.325) 9.369 23.673 ( 0.000 -9.435 -3.662) 10.121 23.673 ( 0.000 -9.435 3.662) 10.121 25.270 ( 0.000 6.279 -0.341) 6.288 25.270 ( 0.000 6.279 0.341) 6.288 25.489 ( 0.000 1.630 -0.452) 1.692 25.489 ( 0.000 1.630 0.452) 1.692 25.667 ( 0.000 -0.513 -2.102) 2.164 25.667 ( 0.000 -0.513 2.102) 2.164 25.788 ( 0.000 -3.930 -2.890) 4.879 25.788 ( 0.000 -3.930 2.890) 4.879 ======================= Grid point 275 (90/96) ======================= q-point: ( 0.17 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.288 ( -7.197 -1.200 -14.326) 16.077 4.288 ( -7.197 -1.200 14.326) 16.077 4.626 ( 6.495 -0.126 -13.914) 15.355 4.626 ( 6.495 -0.126 13.914) 15.355 4.776 ( -9.800 2.369 -2.587) 10.409 4.776 ( -9.800 2.369 2.587) 10.409 4.920 ( 2.976 -2.770 -6.014) 7.259 4.920 ( 2.976 -2.770 6.014) 7.259 5.365 ( 0.793 8.540 -2.138) 8.839 5.365 ( 0.793 8.540 2.138) 8.839 5.823 ( -0.550 -0.797 -4.522) 4.624 5.823 ( -0.550 -0.797 4.522) 4.624 5.953 ( -2.037 -1.999 -4.406) 5.250 5.953 ( -2.037 -1.999 4.406) 5.250 6.154 ( -11.828 1.656 -4.376) 12.719 6.154 ( -11.828 1.656 4.376) 12.719 6.528 ( 0.600 6.804 -2.516) 7.279 6.528 ( 0.600 6.804 2.516) 7.279 6.721 ( 9.219 -3.910 -7.464) 12.490 6.721 ( 9.219 -3.910 7.464) 12.490 6.998 ( -0.616 12.829 -1.745) 12.962 6.998 ( -0.616 12.829 1.745) 12.962 7.197 ( 13.162 -4.836 -11.593) 18.194 7.197 ( 13.162 -4.836 11.593) 18.194 7.284 ( 8.960 -5.854 -12.174) 16.210 7.284 ( 8.960 -5.854 12.174) 16.210 7.605 ( -0.491 -6.158 -6.119) 8.695 7.605 ( -0.491 -6.158 6.119) 8.695 7.999 ( -1.543 3.114 -7.970) 8.695 7.999 ( -1.543 3.114 7.970) 8.695 8.189 ( 9.109 0.831 -7.901) 12.086 8.189 ( 9.109 0.831 7.901) 12.086 8.645 ( 5.003 8.574 -8.610) 13.141 8.645 ( 5.003 8.574 8.610) 13.141 8.960 ( -5.254 -1.093 -2.260) 5.823 8.960 ( -5.254 -1.093 2.260) 5.823 9.287 ( -2.471 17.892 -7.098) 19.407 9.287 ( -2.471 17.892 7.098) 19.407 9.556 ( -1.165 2.513 -2.143) 3.502 9.556 ( -1.165 2.513 2.143) 3.502 9.814 ( -8.504 0.105 -4.736) 9.734 9.814 ( -8.504 0.105 4.736) 9.734 10.093 ( -3.837 3.970 -2.416) 6.027 10.093 ( -3.837 3.970 2.416) 6.027 10.287 ( 1.042 -12.625 -6.638) 14.301 10.287 ( 1.042 -12.625 6.638) 14.301 10.541 ( -3.843 -4.705 -4.737) 7.704 10.541 ( -3.843 -4.705 4.737) 7.704 11.059 ( -6.477 -6.154 -2.132) 9.185 11.059 ( -6.477 -6.154 2.132) 9.185 11.426 ( -8.160 -16.936 -5.085) 19.475 11.426 ( -8.160 -16.936 5.085) 19.475 11.915 ( 0.272 -2.629 -0.808) 2.764 11.915 ( 0.272 -2.629 0.808) 2.764 12.286 ( 11.002 -17.084 -6.630) 21.374 12.286 ( 11.002 -17.084 6.630) 21.374 13.426 ( 2.572 8.340 -9.378) 12.811 13.426 ( 2.572 8.340 9.378) 12.811 13.838 ( 10.886 1.025 -5.751) 12.354 13.838 ( 10.886 1.025 5.751) 12.354 14.136 ( -1.550 -1.471 -6.517) 6.858 14.136 ( -1.550 -1.471 6.517) 6.858 14.937 ( 5.296 16.867 -5.701) 18.576 14.937 ( 5.296 16.867 5.701) 18.576 15.179 ( 3.485 11.358 -9.809) 15.407 15.179 ( 3.485 11.358 9.809) 15.407 15.637 ( -2.145 -5.790 -2.887) 6.816 15.637 ( -2.145 -5.790 2.887) 6.816 15.855 ( -11.839 12.025 -5.187) 17.654 15.855 ( -11.839 12.025 5.187) 17.654 16.227 ( -12.223 -3.527 -12.882) 18.105 16.227 ( -12.223 -3.527 12.882) 18.105 16.395 ( 0.324 -6.297 -4.381) 7.678 16.395 ( 0.324 -6.297 4.381) 7.678 16.706 ( -2.746 -5.157 -6.398) 8.664 16.706 ( -2.746 -5.157 6.398) 8.664 17.131 ( 9.305 0.397 -6.252) 11.217 17.131 ( 9.305 0.397 6.252) 11.217 17.281 ( 3.859 0.248 -1.368) 4.102 17.281 ( 3.859 0.248 1.368) 4.102 17.557 ( 2.186 1.332 -3.488) 4.327 17.557 ( 2.186 1.332 3.488) 4.327 17.680 ( -2.856 -1.761 -8.353) 9.002 17.680 ( -2.856 -1.761 8.353) 9.002 17.957 ( 5.377 -0.764 -5.166) 7.495 17.957 ( 5.377 -0.764 5.166) 7.495 18.713 ( -3.786 1.009 -2.426) 4.608 18.713 ( -3.786 1.009 2.426) 4.608 19.330 ( -1.919 0.250 -3.372) 3.888 19.330 ( -1.919 0.250 3.372) 3.888 19.517 ( -2.078 -2.692 -7.601) 8.327 19.517 ( -2.078 -2.692 7.601) 8.327 21.054 ( 6.011 -0.101 -0.324) 6.021 21.054 ( 6.011 -0.101 0.324) 6.021 21.301 ( -0.409 0.259 -1.589) 1.661 21.301 ( -0.409 0.259 1.589) 1.661 21.750 ( 6.587 7.730 -7.340) 12.530 21.750 ( 6.587 7.730 7.340) 12.530 23.533 ( -14.088 -11.266 -4.007) 18.478 23.533 ( -14.088 -11.266 4.007) 18.478 25.281 ( 1.203 6.757 -0.461) 6.879 25.281 ( 1.203 6.757 0.461) 6.879 25.531 ( 3.505 2.173 -0.932) 4.228 25.531 ( 3.505 2.173 0.932) 4.228 25.659 ( -0.710 -0.743 -2.174) 2.405 25.659 ( -0.710 -0.743 2.174) 2.405 25.798 ( 1.052 -4.524 -3.019) 5.540 25.798 ( 1.052 -4.524 3.019) 5.540 ======================= Grid point 277 (91/96) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.205 ( -0.858 1.341 -10.314) 10.436 4.205 ( -0.858 1.341 10.314) 10.436 4.496 ( -14.119 7.176 -2.006) 15.965 4.496 ( -14.119 7.176 2.006) 15.965 4.787 ( 6.352 -4.980 -4.997) 9.493 4.787 ( 6.352 -4.980 4.997) 9.493 4.991 ( 3.361 -4.521 -1.106) 5.741 4.991 ( 3.361 -4.521 1.106) 5.741 5.374 ( -0.100 5.357 -2.311) 5.835 5.374 ( -0.100 5.357 2.311) 5.835 5.739 ( -5.980 -7.078 -2.588) 9.621 5.739 ( -5.980 -7.078 2.588) 9.621 5.963 ( 1.207 0.609 -0.762) 1.551 5.963 ( 1.207 0.609 0.762) 1.551 6.027 ( -2.596 1.871 -3.974) 5.102 6.027 ( -2.596 1.871 3.974) 5.102 6.564 ( 3.542 10.550 -3.278) 11.602 6.564 ( 3.542 10.550 3.278) 11.602 6.860 ( 4.522 -3.026 -5.529) 7.757 6.860 ( 4.522 -3.026 5.529) 7.757 6.945 ( -1.506 10.685 -1.550) 10.901 6.945 ( -1.506 10.685 1.550) 10.901 7.251 ( -6.365 -1.251 -8.789) 10.923 7.251 ( -6.365 -1.251 8.789) 10.923 7.474 ( 7.010 0.910 -6.433) 9.558 7.474 ( 7.010 0.910 6.433) 9.558 7.769 ( 14.423 -8.897 -3.244) 17.254 7.769 ( 14.423 -8.897 3.244) 17.254 8.007 ( 5.701 -1.203 -2.788) 6.459 8.007 ( 5.701 -1.203 2.788) 6.459 8.393 ( 9.140 4.334 -4.526) 11.081 8.393 ( 9.140 4.334 4.526) 11.081 8.693 ( -2.246 3.315 -3.617) 5.396 8.693 ( -2.246 3.314 3.617) 5.396 8.955 ( 8.109 1.411 -1.954) 8.460 8.955 ( 8.109 1.411 1.954) 8.460 9.129 ( -10.892 15.493 -6.901) 20.156 9.129 ( -10.892 15.493 6.901) 20.156 9.589 ( 2.681 3.981 -4.058) 6.285 9.589 ( 2.681 3.981 4.058) 6.285 9.665 ( -8.028 -1.669 -0.991) 8.259 9.665 ( -8.028 -1.669 0.991) 8.259 9.899 ( -14.907 8.827 -4.338) 17.859 9.899 ( -14.907 8.827 4.338) 17.859 10.320 ( 1.810 -16.257 -1.303) 16.410 10.320 ( 1.810 -16.257 1.303) 16.410 10.438 ( -6.141 -6.268 -6.623) 10.993 10.438 ( -6.141 -6.268 6.623) 10.993 10.983 ( -0.957 -10.771 -5.214) 12.005 10.983 ( -0.957 -10.771 5.214) 12.005 11.285 ( -5.761 -14.106 -6.728) 16.656 11.285 ( -5.761 -14.106 6.728) 16.656 11.967 ( 3.641 4.849 -2.549) 6.578 11.967 ( 3.641 4.849 2.549) 6.578 12.414 ( 2.508 -15.610 -3.511) 16.195 12.414 ( 2.508 -15.610 3.511) 16.195 13.463 ( 1.588 5.664 -4.440) 7.370 13.463 ( 1.588 5.664 4.440) 7.370 14.017 ( 4.500 -13.091 -5.920) 15.056 14.017 ( 4.500 -13.091 5.920) 15.056 14.256 ( 17.277 5.189 -8.196) 19.814 14.256 ( 17.277 5.189 8.196) 19.814 15.046 ( 2.077 19.707 -6.378) 20.817 15.046 ( 2.077 19.707 6.378) 20.817 15.164 ( -5.422 18.900 -12.807) 23.465 15.164 ( -5.422 18.900 12.807) 23.465 15.548 ( -6.488 -2.990 -0.459) 7.158 15.548 ( -6.488 -2.990 0.459) 7.158 15.646 ( -7.588 8.123 -6.583) 12.918 15.646 ( -7.588 8.123 6.583) 12.918 16.006 ( -8.679 -3.601 -5.970) 11.132 16.006 ( -8.679 -3.601 5.970) 11.132 16.445 ( 5.512 -7.623 -2.337) 9.693 16.445 ( 5.512 -7.623 2.337) 9.693 16.679 ( -2.694 -9.826 -6.367) 12.014 16.679 ( -2.694 -9.826 6.367) 12.014 17.246 ( 3.291 1.557 -2.344) 4.330 17.246 ( 3.291 1.557 2.344) 4.330 17.359 ( 4.098 2.545 -1.594) 5.080 17.359 ( 4.098 2.545 1.594) 5.080 17.571 ( -0.652 -0.127 -3.036) 3.108 17.571 ( -0.652 -0.127 3.036) 3.108 17.630 ( -2.216 -2.147 -2.525) 3.987 17.630 ( -2.216 -2.147 2.525) 3.987 18.096 ( 8.510 3.184 -3.726) 9.820 18.096 ( 8.510 3.184 3.726) 9.820 18.617 ( -5.997 -4.680 -2.148) 7.904 18.617 ( -5.997 -4.680 2.148) 7.904 19.310 ( 0.173 2.480 -2.694) 3.666 19.310 ( 0.173 2.480 2.694) 3.666 19.461 ( -3.546 -2.464 -5.688) 7.141 19.461 ( -3.546 -2.464 5.688) 7.141 21.171 ( 5.596 -0.360 -0.525) 5.632 21.171 ( 5.596 -0.360 0.525) 5.632 21.287 ( -1.215 -0.009 -1.020) 1.586 21.287 ( -1.215 -0.009 1.020) 1.586 21.926 ( 11.339 14.171 -6.024) 19.123 21.926 ( 11.339 14.171 6.024) 19.123 23.220 ( -17.268 -17.435 -3.912) 24.849 23.220 ( -17.268 -17.435 3.912) 24.849 25.312 ( 1.869 8.664 -0.411) 8.873 25.312 ( 1.869 8.664 0.411) 8.873 25.573 ( 0.255 0.460 -2.904) 2.951 25.573 ( 0.255 0.460 2.904) 2.951 25.659 ( 1.100 0.129 -3.044) 3.240 25.659 ( 1.100 0.129 3.044) 3.240 25.821 ( 1.158 -5.243 -2.210) 5.807 25.821 ( 1.158 -5.243 2.210) 5.807 ======================= Grid point 279 (92/96) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.254 ( -0.000 3.011 0.000) 3.011 4.254 ( -0.000 3.010 0.000) 3.010 4.299 ( 0.000 5.312 -0.000) 5.312 4.299 ( 0.000 5.312 0.000) 5.312 4.855 ( 0.000 -2.355 0.000) 2.355 4.855 ( 0.000 -2.355 0.000) 2.355 5.024 ( 0.000 -7.930 -0.000) 7.930 5.024 ( -0.000 -7.930 0.000) 7.930 5.367 ( -0.000 5.321 0.000) 5.321 5.367 ( 0.000 5.321 0.000) 5.321 5.678 ( 0.000 -8.547 -0.000) 8.547 5.678 ( 0.000 -8.547 0.000) 8.547 5.970 ( 0.000 1.734 -0.000) 1.734 5.970 ( 0.000 1.734 -0.000) 1.734 6.012 ( 0.000 1.179 0.000) 1.179 6.012 ( 0.000 1.179 0.000) 1.179 6.620 ( -0.000 14.034 -0.000) 14.034 6.620 ( 0.000 14.034 0.000) 14.034 6.836 ( -0.000 6.707 0.000) 6.707 6.836 ( 0.000 6.707 0.000) 6.707 7.029 ( -0.000 0.769 -0.000) 0.769 7.029 ( 0.000 0.769 0.000) 0.769 7.123 ( 0.000 -5.481 -0.000) 5.481 7.123 ( -0.000 -5.481 0.000) 5.481 7.536 ( 0.000 6.321 0.000) 6.321 7.536 ( 0.000 6.321 0.000) 6.321 7.869 ( 0.000 -7.665 0.000) 7.665 7.869 ( 0.000 -7.665 0.000) 7.665 8.252 ( -0.000 -3.863 0.000) 3.863 8.252 ( 0.000 -3.863 0.000) 3.863 8.333 ( -0.000 -3.974 0.000) 3.974 8.333 ( 0.000 -3.974 0.000) 3.974 8.730 ( 0.000 13.205 0.000) 13.205 8.730 ( 0.000 13.205 0.000) 13.205 8.894 ( -0.000 17.396 0.000) 17.396 8.894 ( 0.000 17.396 0.000) 17.396 9.320 ( 0.000 1.742 -0.000) 1.742 9.320 ( 0.000 1.742 0.000) 1.742 9.351 ( -0.000 -12.738 -0.000) 12.738 9.351 ( -0.000 -12.738 0.000) 12.738 9.692 ( -0.000 0.706 0.000) 0.706 9.692 ( 0.000 0.706 0.000) 0.706 9.707 ( -0.000 16.894 -0.000) 16.894 9.707 ( 0.000 16.894 -0.000) 16.894 10.352 ( 0.000 -5.891 0.000) 5.891 10.352 ( -0.000 -5.891 0.000) 5.891 10.360 ( 0.000 -19.121 -0.000) 19.121 10.360 ( 0.000 -19.121 0.000) 19.121 10.987 ( 0.000 -6.249 0.000) 6.249 10.987 ( -0.000 -6.249 0.000) 6.249 11.229 ( 0.000 -14.656 0.000) 14.656 11.229 ( 0.000 -14.656 0.000) 14.656 12.008 ( 0.000 6.688 0.000) 6.688 12.008 ( 0.000 6.688 0.000) 6.688 12.422 ( 0.000 -14.877 0.000) 14.877 12.422 ( 0.000 -14.877 0.000) 14.877 13.482 ( 0.000 3.313 0.000) 3.313 13.482 ( 0.000 3.313 0.000) 3.313 14.047 ( 0.000 -21.265 0.000) 21.265 14.047 ( 0.000 -21.265 0.000) 21.265 14.589 ( -0.000 17.003 0.000) 17.003 14.589 ( 0.000 17.003 -0.000) 17.003 14.818 ( -0.000 13.046 0.000) 13.046 14.818 ( 0.000 13.046 0.000) 13.046 15.225 ( 0.000 16.612 -0.000) 16.612 15.225 ( -0.000 16.612 -0.000) 16.612 15.420 ( -0.000 10.747 0.000) 10.747 15.420 ( 0.000 10.747 0.000) 10.747 15.627 ( 0.000 1.527 0.000) 1.527 15.627 ( 0.000 1.527 0.000) 1.527 15.918 ( 0.000 -5.589 0.000) 5.589 15.918 ( 0.000 -5.589 0.000) 5.589 16.571 ( -0.000 -5.066 -0.000) 5.066 16.571 ( 0.000 -5.066 0.000) 5.066 16.587 ( 0.000 -11.796 -0.000) 11.796 16.587 ( 0.000 -11.796 0.000) 11.796 17.273 ( -0.000 4.399 0.000) 4.399 17.273 ( 0.000 4.399 0.000) 4.399 17.401 ( -0.000 -0.797 0.000) 0.797 17.401 ( 0.000 -0.797 0.000) 0.797 17.582 ( -0.000 -4.004 -0.000) 4.004 17.582 ( -0.000 -4.004 0.000) 4.004 17.587 ( 0.000 0.864 -0.000) 0.864 17.587 ( 0.000 0.864 0.000) 0.864 18.198 ( 0.000 7.666 -0.000) 7.666 18.198 ( 0.000 7.666 -0.000) 7.666 18.542 ( -0.000 -9.015 0.000) 9.015 18.542 ( 0.000 -9.015 0.000) 9.015 19.322 ( -0.000 3.001 0.000) 3.001 19.322 ( 0.000 3.001 0.000) 3.001 19.416 ( 0.000 -2.381 0.000) 2.381 19.416 ( 0.000 -2.381 0.000) 2.381 21.242 ( -0.000 -0.153 0.000) 0.153 21.242 ( -0.000 -0.153 0.000) 0.153 21.257 ( 0.000 -0.459 0.000) 0.459 21.257 ( 0.000 -0.459 0.000) 0.459 22.066 ( 0.000 21.507 0.000) 21.507 22.066 ( 0.000 21.507 0.000) 21.507 23.023 ( -0.000 -24.624 -0.000) 24.624 23.023 ( 0.000 -24.624 0.000) 24.624 25.333 ( -0.000 10.350 0.000) 10.350 25.333 ( 0.000 10.350 0.000) 10.350 25.566 ( 0.000 -2.122 -0.000) 2.122 25.566 ( 0.000 -2.122 0.000) 2.122 25.675 ( -0.000 1.343 0.000) 1.343 25.675 ( 0.000 1.343 0.000) 1.343 25.833 ( 0.000 -5.406 0.000) 5.406 25.833 ( 0.000 -5.406 0.000) 5.406 ======================= Grid point 287 (93/96) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.327 ( 0.000 0.000 0.000) 0.000 4.327 ( 0.000 0.000 0.000) 0.000 4.565 ( 0.000 0.000 0.000) 0.000 4.565 ( 0.000 0.000 0.000) 0.000 4.810 ( 0.000 -0.000 -0.000) 0.000 4.810 ( 0.000 0.000 0.000) 0.000 4.942 ( 0.000 0.000 0.000) 0.000 4.942 ( 0.000 0.000 0.000) 0.000 5.540 ( 0.000 0.000 0.000) 0.000 5.540 ( 0.000 0.000 0.000) 0.000 5.808 ( 0.000 0.000 0.000) 0.000 5.808 ( 0.000 0.000 0.000) 0.000 5.952 ( 0.000 0.000 0.000) 0.000 5.952 ( 0.000 -0.000 0.000) 0.000 6.336 ( 0.000 -0.000 0.000) 0.000 6.336 ( 0.000 0.000 0.000) 0.000 6.551 ( 0.000 -0.000 -0.000) 0.000 6.551 ( 0.000 0.000 0.000) 0.000 6.686 ( 0.000 0.000 -0.000) 0.000 6.686 ( 0.000 -0.000 0.000) 0.000 6.761 ( 0.000 0.000 0.000) 0.000 6.761 ( 0.000 0.000 0.000) 0.000 7.106 ( 0.000 0.000 0.000) 0.000 7.106 ( 0.000 0.000 0.000) 0.000 7.265 ( 0.000 -0.000 0.000) 0.000 7.265 ( 0.000 0.000 0.000) 0.000 7.537 ( 0.000 -0.000 0.000) 0.000 7.537 ( 0.000 0.000 0.000) 0.000 8.062 ( 0.000 -0.000 -0.000) 0.000 8.062 ( 0.000 -0.000 0.000) 0.000 8.078 ( 0.000 0.000 -0.000) 0.000 8.078 ( 0.000 0.000 0.000) 0.000 8.774 ( 0.000 0.000 0.000) 0.000 8.774 ( 0.000 0.000 0.000) 0.000 9.004 ( 0.000 -0.000 0.000) 0.000 9.004 ( 0.000 -0.000 0.000) 0.000 9.496 ( 0.000 -0.000 0.000) 0.000 9.496 ( 0.000 0.000 0.000) 0.000 9.513 ( 0.000 0.000 0.000) 0.000 9.513 ( 0.000 0.000 0.000) 0.000 9.981 ( 0.000 -0.000 0.000) 0.000 9.981 ( 0.000 0.000 0.000) 0.000 9.990 ( 0.000 -0.000 -0.000) 0.000 9.990 ( 0.000 0.000 -0.000) 0.000 10.327 ( 0.000 0.000 0.000) 0.000 10.327 ( 0.000 0.000 0.000) 0.000 10.435 ( 0.000 0.000 0.000) 0.000 10.435 ( 0.000 -0.000 0.000) 0.000 11.227 ( 0.000 0.000 0.000) 0.000 11.227 ( 0.000 0.000 0.000) 0.000 11.270 ( 0.000 -0.000 0.000) 0.000 11.270 ( 0.000 -0.000 0.000) 0.000 11.864 ( 0.000 0.000 -0.000) 0.000 11.864 ( 0.000 -0.000 0.000) 0.000 11.927 ( 0.000 0.000 0.000) 0.000 11.927 ( 0.000 0.000 0.000) 0.000 13.530 ( 0.000 0.000 0.000) 0.000 13.530 ( 0.000 -0.000 0.000) 0.000 13.677 ( 0.000 0.000 0.000) 0.000 13.677 ( 0.000 0.000 0.000) 0.000 14.210 ( 0.000 0.000 0.000) 0.000 14.210 ( 0.000 0.000 0.000) 0.000 15.143 ( 0.000 -0.000 0.000) 0.000 15.143 ( 0.000 0.000 0.000) 0.000 15.274 ( 0.000 -0.000 0.000) 0.000 15.274 ( 0.000 -0.000 0.000) 0.000 15.355 ( 0.000 0.000 0.000) 0.000 15.355 ( 0.000 0.000 0.000) 0.000 16.227 ( 0.000 0.000 -0.000) 0.000 16.227 ( 0.000 0.000 0.000) 0.000 16.276 ( 0.000 -0.000 -0.000) 0.000 16.276 ( 0.000 0.000 0.000) 0.000 16.387 ( 0.000 0.000 -0.000) 0.000 16.387 ( 0.000 -0.000 -0.000) 0.000 16.723 ( 0.000 -0.000 0.000) 0.000 16.723 ( 0.000 0.000 0.000) 0.000 17.058 ( 0.000 0.000 0.000) 0.000 17.058 ( 0.000 0.000 0.000) 0.000 17.100 ( 0.000 -0.000 0.000) 0.000 17.100 ( 0.000 0.000 0.000) 0.000 17.604 ( 0.000 0.000 0.000) 0.000 17.604 ( 0.000 0.000 0.000) 0.000 17.666 ( 0.000 -0.000 0.000) 0.000 17.666 ( 0.000 -0.000 0.000) 0.000 17.894 ( 0.000 0.000 -0.000) 0.000 17.894 ( 0.000 0.000 0.000) 0.000 18.788 ( 0.000 0.000 0.000) 0.000 18.788 ( 0.000 0.000 0.000) 0.000 19.339 ( 0.000 0.000 -0.000) 0.000 19.339 ( 0.000 0.000 0.000) 0.000 19.504 ( 0.000 0.000 -0.000) 0.000 19.504 ( 0.000 0.000 0.000) 0.000 20.991 ( 0.000 0.000 0.000) 0.000 20.991 ( 0.000 0.000 0.000) 0.000 21.308 ( 0.000 0.000 0.000) 0.000 21.308 ( 0.000 -0.000 0.000) 0.000 21.755 ( 0.000 0.000 0.000) 0.000 21.755 ( 0.000 0.000 0.000) 0.000 23.573 ( 0.000 -0.000 0.000) 0.000 23.573 ( 0.000 0.000 0.000) 0.000 25.332 ( 0.000 0.000 0.000) 0.000 25.332 ( 0.000 0.000 0.000) 0.000 25.519 ( 0.000 0.000 -0.000) 0.000 25.519 ( 0.000 0.000 0.000) 0.000 25.661 ( 0.000 0.000 0.000) 0.000 25.661 ( 0.000 0.000 0.000) 0.000 25.737 ( 0.000 -0.000 -0.000) 0.000 25.737 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 291 (94/96) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.267 ( -4.642 0.000 0.000) 4.642 4.267 ( -4.642 0.000 0.000) 4.642 4.616 ( 5.082 0.000 0.000) 5.082 4.616 ( 5.082 0.000 0.000) 5.082 4.838 ( -10.896 0.000 -0.000) 10.896 4.838 ( -10.896 0.000 0.000) 10.896 4.870 ( 4.874 -0.000 -0.000) 4.874 4.870 ( 4.874 -0.000 0.000) 4.874 5.497 ( -3.162 0.000 0.000) 3.162 5.497 ( -3.162 0.000 0.000) 3.162 5.768 ( -6.469 0.000 0.000) 6.469 5.768 ( -6.469 0.000 0.000) 6.469 5.931 ( 0.910 -0.000 -0.000) 0.910 5.931 ( 0.910 0.000 0.000) 0.910 6.163 ( -9.364 -0.000 0.000) 9.364 6.163 ( -9.364 0.000 0.000) 9.364 6.626 ( 5.593 -0.000 0.000) 5.593 6.626 ( 5.593 0.000 0.000) 5.593 6.681 ( 0.677 -0.000 -0.000) 0.677 6.681 ( 0.677 0.000 -0.000) 0.677 7.076 ( 22.481 0.000 -0.000) 22.481 7.076 ( 22.481 0.000 0.000) 22.481 7.225 ( 8.433 0.000 0.000) 8.433 7.225 ( 8.433 -0.000 0.000) 8.433 7.248 ( 0.987 0.000 -0.000) 0.987 7.248 ( 0.987 0.000 -0.000) 0.987 7.482 ( -3.599 -0.000 0.000) 3.599 7.482 ( -3.599 0.000 0.000) 3.599 8.032 ( -2.856 0.000 0.000) 2.856 8.032 ( -2.856 0.000 0.000) 2.856 8.193 ( 11.568 -0.000 -0.000) 11.568 8.193 ( 11.568 0.000 0.000) 11.568 8.788 ( 1.859 0.000 0.000) 1.859 8.788 ( 1.859 0.000 0.000) 1.859 8.926 ( -6.960 -0.000 0.000) 6.960 8.926 ( -6.960 -0.000 0.000) 6.960 9.519 ( 0.213 -0.000 0.000) 0.213 9.519 ( 0.213 0.000 0.000) 0.213 9.560 ( 5.231 0.000 0.000) 5.231 9.560 ( 5.231 0.000 0.000) 5.231 9.857 ( -14.204 -0.000 0.000) 14.204 9.857 ( -14.204 0.000 0.000) 14.204 9.979 ( -0.425 -0.000 -0.000) 0.425 9.979 ( -0.425 0.000 0.000) 0.425 10.243 ( -6.057 0.000 0.000) 6.057 10.243 ( -6.057 -0.000 0.000) 6.057 10.462 ( 0.879 0.000 -0.000) 0.879 10.462 ( 0.879 0.000 0.000) 0.879 11.027 ( -19.149 0.000 0.000) 19.149 11.027 ( -19.149 0.000 0.000) 19.149 11.212 ( -1.774 -0.000 0.000) 1.774 11.212 ( -1.774 -0.000 0.000) 1.774 11.990 ( 10.796 0.000 -0.000) 10.796 11.990 ( 10.796 0.000 -0.000) 10.796 12.023 ( 6.661 -0.000 0.000) 6.661 12.023 ( 6.661 -0.000 0.000) 6.661 13.590 ( 5.231 0.000 0.000) 5.231 13.590 ( 5.231 0.000 0.000) 5.231 13.750 ( 4.524 -0.000 -0.000) 4.524 13.750 ( 4.524 0.000 0.000) 4.524 14.123 ( -3.093 0.000 0.000) 3.093 14.123 ( -3.093 0.000 0.000) 3.093 15.194 ( 5.097 -0.000 -0.000) 5.097 15.194 ( 5.097 0.000 0.000) 5.097 15.366 ( 1.793 -0.000 -0.000) 1.793 15.366 ( 1.793 0.000 -0.000) 1.793 15.390 ( 9.251 -0.000 0.000) 9.251 15.390 ( 9.251 0.000 0.000) 9.251 16.103 ( -20.779 0.000 0.000) 20.779 16.103 ( -20.779 0.000 0.000) 20.779 16.173 ( -5.466 -0.000 -0.000) 5.466 16.173 ( -5.466 0.000 -0.000) 5.466 16.350 ( -2.673 -0.000 -0.000) 2.673 16.350 ( -2.673 0.000 0.000) 2.673 16.570 ( -5.280 0.000 0.000) 5.280 16.570 ( -5.280 0.000 0.000) 5.280 17.153 ( 4.692 0.000 -0.000) 4.692 17.153 ( 4.692 0.000 0.000) 4.692 17.249 ( 11.384 0.000 0.000) 11.384 17.249 ( 11.384 -0.000 0.000) 11.384 17.615 ( 0.406 0.000 -0.000) 0.406 17.615 ( 0.406 0.000 0.000) 0.406 17.643 ( -2.370 -0.000 -0.000) 2.370 17.643 ( -2.370 -0.000 0.000) 2.370 17.952 ( 6.783 0.000 0.000) 6.783 17.952 ( 6.783 0.000 -0.000) 6.783 18.720 ( -6.788 0.000 0.000) 6.788 18.720 ( -6.788 0.000 0.000) 6.788 19.340 ( 0.043 0.000 -0.000) 0.043 19.340 ( 0.043 0.000 0.000) 0.043 19.481 ( -2.340 0.000 -0.000) 2.340 19.481 ( -2.340 0.000 0.000) 2.340 21.054 ( 5.886 0.000 0.000) 5.886 21.054 ( 5.886 0.000 0.000) 5.886 21.304 ( -0.511 0.000 0.000) 0.511 21.304 ( -0.511 0.000 0.000) 0.511 21.837 ( 9.159 0.000 0.000) 9.159 21.837 ( 9.159 0.000 0.000) 9.159 23.410 ( -16.588 -0.000 0.000) 16.588 23.410 ( -16.588 0.000 0.000) 16.588 25.348 ( 1.949 0.000 0.000) 1.949 25.348 ( 1.949 0.000 0.000) 1.949 25.576 ( 5.159 0.000 -0.000) 5.159 25.576 ( 5.159 0.000 0.000) 5.159 25.643 ( -2.041 0.000 -0.000) 2.041 25.643 ( -2.041 -0.000 0.000) 2.041 25.737 ( 0.177 -0.000 0.000) 0.177 25.737 ( 0.177 0.000 0.000) 0.177 ======================= Grid point 295 (95/96) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.221 ( 0.813 0.000 0.000) 0.813 4.221 ( 0.813 0.000 0.000) 0.813 4.560 ( -14.859 0.000 -0.000) 14.859 4.560 ( -14.859 0.000 0.000) 14.859 4.758 ( 7.349 0.000 -0.000) 7.349 4.758 ( 7.349 0.000 0.000) 7.349 4.934 ( 0.988 -0.000 -0.000) 0.988 4.934 ( 0.988 0.000 0.000) 0.988 5.466 ( 0.020 0.000 0.000) 0.020 5.466 ( 0.020 0.000 0.000) 0.020 5.611 ( -8.342 -0.000 0.000) 8.342 5.611 ( -8.342 0.000 0.000) 8.342 5.978 ( 2.631 0.000 -0.000) 2.631 5.978 ( 2.631 0.000 0.000) 2.631 6.051 ( -3.358 0.000 0.000) 3.358 6.051 ( -3.358 0.000 0.000) 3.358 6.737 ( 5.470 -0.000 0.000) 5.470 6.737 ( 5.470 0.000 0.000) 5.470 6.755 ( 7.955 -0.000 -0.000) 7.955 6.755 ( 7.955 0.000 -0.000) 7.955 7.108 ( -6.413 -0.000 0.000) 6.413 7.108 ( -6.413 0.000 0.000) 6.413 7.206 ( -8.810 -0.000 0.000) 8.810 7.206 ( -8.810 0.000 0.000) 8.810 7.554 ( 9.139 0.000 -0.000) 9.139 7.554 ( 9.139 0.000 0.000) 9.139 7.603 ( 20.420 -0.000 0.000) 20.420 7.603 ( 20.420 -0.000 0.000) 20.420 7.995 ( 2.051 0.000 0.000) 2.051 7.995 ( 2.051 0.000 0.000) 2.051 8.409 ( 4.709 -0.000 -0.000) 4.709 8.409 ( 4.709 -0.000 0.000) 4.709 8.848 ( 4.330 -0.000 0.000) 4.330 8.848 ( 4.330 0.000 0.000) 4.330 8.862 ( 6.652 -0.000 -0.000) 6.652 8.862 ( 6.652 0.000 0.000) 6.652 9.465 ( -18.972 -0.000 0.000) 18.972 9.465 ( -18.972 0.000 0.000) 18.972 9.482 ( -5.938 -0.000 -0.000) 5.938 9.482 ( -5.938 0.000 -0.000) 5.938 9.709 ( 4.146 -0.000 0.000) 4.146 9.709 ( 4.146 0.000 0.000) 4.146 9.943 ( -4.741 -0.000 0.000) 4.741 9.943 ( -4.741 0.000 0.000) 4.741 10.165 ( -2.316 -0.000 0.000) 2.316 10.165 ( -2.316 0.000 0.000) 2.316 10.318 ( -14.679 0.000 0.000) 14.679 10.318 ( -14.679 0.000 0.000) 14.679 10.868 ( 4.222 0.000 0.000) 4.222 10.868 ( 4.222 0.000 0.000) 4.222 11.151 ( -5.109 -0.000 0.000) 5.109 11.151 ( -5.109 0.000 0.000) 5.109 12.119 ( 3.901 -0.000 0.000) 3.901 12.119 ( 3.901 0.000 -0.000) 3.901 12.154 ( 5.128 -0.000 0.000) 5.128 12.154 ( 5.128 0.000 0.000) 5.128 13.665 ( 1.937 0.000 0.000) 1.937 13.665 ( 1.937 0.000 0.000) 1.937 13.712 ( -4.933 -0.000 0.000) 4.933 13.712 ( -4.933 -0.000 0.000) 4.933 14.330 ( 23.157 0.000 0.000) 23.157 14.330 ( 23.157 0.000 0.000) 23.157 15.264 ( -3.293 -0.000 0.000) 3.293 15.264 ( -3.293 0.000 0.000) 3.293 15.419 ( -0.203 -0.000 0.000) 0.203 15.419 ( -0.203 0.000 -0.000) 0.203 15.499 ( 1.036 -0.000 0.000) 1.036 15.499 ( 1.036 0.000 0.000) 1.036 15.678 ( -12.386 -0.000 0.000) 12.386 15.678 ( -12.386 0.000 0.000) 12.386 16.032 ( -10.157 -0.000 -0.000) 10.157 16.032 ( -10.157 0.000 0.000) 10.157 16.350 ( 3.971 -0.000 0.000) 3.971 16.350 ( 3.971 0.000 0.000) 3.971 16.534 ( -1.421 0.000 -0.000) 1.421 16.534 ( -1.421 0.000 0.000) 1.421 17.246 ( 5.080 0.000 -0.000) 5.080 17.246 ( 5.080 0.000 0.000) 5.080 17.372 ( 1.542 -0.000 0.000) 1.542 17.372 ( 1.542 0.000 0.000) 1.542 17.596 ( -1.966 -0.000 -0.000) 1.966 17.596 ( -1.966 -0.000 0.000) 1.966 17.603 ( -1.385 0.000 -0.000) 1.385 17.603 ( -1.385 0.000 0.000) 1.385 18.138 ( 12.328 0.000 -0.000) 12.328 18.138 ( 12.328 0.000 0.000) 12.328 18.564 ( -9.595 0.000 0.000) 9.595 18.564 ( -9.595 0.000 0.000) 9.595 19.344 ( 0.606 0.000 -0.000) 0.606 19.344 ( 0.606 0.000 0.000) 0.606 19.426 ( -3.340 0.000 0.000) 3.340 19.426 ( -3.340 0.000 0.000) 3.340 21.168 ( 5.559 0.000 0.000) 5.559 21.168 ( 5.559 0.000 0.000) 5.559 21.287 ( -1.401 0.000 0.000) 1.401 21.287 ( -1.401 0.000 0.000) 1.401 22.102 ( 19.369 0.000 0.000) 19.369 22.102 ( 19.369 0.000 0.000) 19.369 23.010 ( -25.174 -0.000 0.000) 25.174 23.010 ( -25.174 0.000 0.000) 25.174 25.406 ( 4.232 -0.000 0.000) 4.232 25.406 ( 4.232 0.000 0.000) 4.232 25.584 ( -4.243 0.000 -0.000) 4.243 25.584 ( -4.243 0.000 0.000) 4.243 25.672 ( 4.465 0.000 0.000) 4.465 25.672 ( 4.465 -0.000 0.000) 4.465 25.742 ( 0.092 0.000 0.000) 0.092 25.742 ( 0.092 0.000 0.000) 0.092 ======================= Grid point 299 (96/96) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.319 ( -8.610 -1.242 0.000) 8.699 4.319 ( -8.610 -1.242 0.000) 8.699 4.319 ( 8.610 1.242 0.000) 8.699 4.319 ( 8.610 1.242 0.000) 8.700 4.889 ( -2.561 -4.819 0.000) 5.457 4.889 ( -2.561 -4.819 0.000) 5.457 4.889 ( 2.561 4.819 -0.000) 5.457 4.889 ( 2.561 4.819 0.000) 5.458 5.498 ( -0.792 -8.114 -0.000) 8.152 5.498 ( -0.792 -8.114 0.000) 8.152 5.498 ( 0.792 8.114 -0.000) 8.152 5.498 ( 0.792 8.114 0.000) 8.152 6.013 ( -0.579 -1.496 0.000) 1.604 6.013 ( -0.579 -1.496 0.000) 1.604 6.013 ( 0.579 1.496 0.000) 1.604 6.013 ( 0.579 1.496 0.000) 1.604 6.844 ( -0.472 -7.058 -0.000) 7.073 6.844 ( -0.472 -7.058 0.000) 7.073 6.844 ( 0.472 7.058 0.000) 7.073 6.844 ( 0.472 7.058 0.000) 7.073 7.047 ( -3.851 -0.768 -0.000) 3.927 7.047 ( -3.851 -0.769 0.000) 3.927 7.047 ( 3.851 0.768 -0.000) 3.927 7.047 ( 3.851 0.769 0.000) 3.927 7.700 ( -1.437 -9.034 0.000) 9.148 7.700 ( -1.437 -9.034 0.000) 9.148 7.700 ( 1.437 9.034 -0.000) 9.148 7.700 ( 1.437 9.034 0.000) 9.148 8.238 ( -17.020 -0.882 0.000) 17.043 8.238 ( -17.020 -0.882 0.000) 17.043 8.238 ( 17.020 0.882 -0.000) 17.043 8.238 ( 17.020 0.882 0.000) 17.043 9.015 ( -0.632 -14.326 0.000) 14.340 9.015 ( -0.632 -14.326 0.000) 14.340 9.015 ( 0.632 14.326 0.000) 14.340 9.015 ( 0.632 14.326 0.000) 14.340 9.268 ( -5.121 -7.663 0.000) 9.217 9.268 ( -5.121 -7.663 0.000) 9.217 9.268 ( 5.121 7.663 -0.000) 9.217 9.268 ( 5.121 7.663 0.000) 9.217 9.810 ( -1.963 -11.026 0.000) 11.200 9.810 ( -1.963 -11.026 0.000) 11.200 9.810 ( 1.963 11.026 0.000) 11.200 9.810 ( 1.963 11.026 0.000) 11.200 10.160 ( -0.302 -9.640 0.000) 9.644 10.160 ( -0.302 -9.640 0.000) 9.644 10.160 ( 0.302 9.640 0.000) 9.644 10.160 ( 0.302 9.640 0.000) 9.644 11.018 ( -4.803 -5.945 0.000) 7.643 11.018 ( -4.803 -5.945 0.000) 7.643 11.018 ( 4.803 5.945 0.000) 7.643 11.018 ( 4.803 5.945 0.000) 7.643 12.175 ( -0.160 -10.557 0.000) 10.558 12.175 ( -0.160 -10.557 0.000) 10.558 12.175 ( 0.160 10.557 0.000) 10.558 12.175 ( 0.160 10.557 0.000) 10.558 13.671 ( -0.000 -15.738 0.000) 15.738 13.671 ( -0.000 -15.738 0.000) 15.738 13.671 ( 0.000 15.738 0.000) 15.738 13.671 ( 0.000 15.738 0.000) 15.738 14.850 ( -27.124 -3.699 0.000) 27.375 14.850 ( -27.124 -3.699 0.000) 27.375 14.850 ( 27.124 3.699 0.000) 27.375 14.850 ( 27.124 3.699 0.000) 27.375 15.452 ( -1.919 -4.066 -0.000) 4.496 15.452 ( -1.919 -4.066 0.000) 4.496 15.452 ( 1.919 4.066 -0.000) 4.496 15.452 ( 1.919 4.066 0.000) 4.496 15.802 ( -9.333 -5.281 0.000) 10.723 15.802 ( -9.333 -5.281 0.000) 10.723 15.802 ( 9.333 5.281 0.000) 10.723 15.802 ( 9.333 5.281 0.000) 10.723 16.464 ( -5.047 -1.301 -0.000) 5.212 16.464 ( -5.047 -1.301 0.000) 5.212 16.464 ( 5.047 1.301 -0.000) 5.212 16.464 ( 5.047 1.301 0.000) 5.212 17.334 ( -2.276 -2.759 0.000) 3.577 17.334 ( -2.276 -2.759 0.000) 3.577 17.334 ( 2.276 2.759 0.000) 3.577 17.334 ( 2.276 2.759 0.000) 3.577 17.583 ( -0.067 -1.356 0.000) 1.357 17.583 ( -0.067 -1.356 0.000) 1.357 17.583 ( 0.067 1.356 0.000) 1.357 17.583 ( 0.067 1.356 0.000) 1.357 18.368 ( -6.386 -7.596 0.000) 9.924 18.368 ( -6.386 -7.596 -0.000) 9.924 18.368 ( 6.386 7.596 -0.000) 9.924 18.368 ( 6.386 7.596 0.000) 9.924 19.370 ( -1.088 -1.982 0.000) 2.261 19.370 ( -1.088 -1.982 0.000) 2.261 19.370 ( 1.088 1.982 -0.000) 2.261 19.370 ( 1.088 1.982 0.000) 2.261 21.247 ( -2.913 -0.160 0.000) 2.917 21.247 ( -2.913 -0.160 0.000) 2.917 21.247 ( 2.913 0.160 0.000) 2.917 21.247 ( 2.913 0.160 0.000) 2.917 22.529 ( -11.614 -22.600 -0.000) 25.409 22.529 ( -11.614 -22.600 0.000) 25.409 22.529 ( 11.614 22.600 0.000) 25.409 22.529 ( 11.614 22.600 0.000) 25.409 25.495 ( -2.032 -5.317 0.000) 5.692 25.495 ( -2.032 -5.317 0.000) 5.692 25.495 ( 2.032 5.317 0.000) 5.692 25.495 ( 2.032 5.317 0.000) 5.692 25.730 ( -0.334 -4.341 0.000) 4.354 25.730 ( -0.334 -4.341 0.000) 4.354 25.730 ( 0.334 4.341 0.000) 4.354 25.730 ( 0.334 4.341 0.000) 4.354 =================== 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 3/38880 10.0 2658.643 1856.130 827.745 0.000 0.000 0.000 3/38880 20.0 3790.315 3233.477 2376.261 0.000 0.000 0.000 3/38880 30.0 1851.505 1634.836 1506.260 0.000 0.000 0.000 3/38880 40.0 959.999 878.924 854.026 0.000 0.000 0.000 3/38880 50.0 553.842 524.762 528.041 0.000 0.000 0.000 3/38880 60.0 354.092 341.922 354.069 0.000 0.000 0.000 3/38880 70.0 245.386 238.987 252.572 0.000 0.000 0.000 3/38880 80.0 180.508 176.384 188.902 0.000 0.000 0.000 3/38880 90.0 138.777 135.742 146.597 0.000 0.000 0.000 3/38880 100.0 110.331 107.927 117.173 0.000 0.000 0.000 3/38880 110.0 90.063 88.080 95.950 0.000 0.000 0.000 3/38880 120.0 75.119 73.445 80.184 0.000 0.000 0.000 3/38880 130.0 63.797 62.365 68.185 0.000 0.000 0.000 3/38880 140.0 55.027 53.788 58.863 0.000 0.000 0.000 3/38880 150.0 48.104 47.023 51.490 0.000 0.000 0.000 3/38880 160.0 42.547 41.599 45.566 0.000 0.000 0.000 3/38880 170.0 38.021 37.185 40.737 0.000 0.000 0.000 3/38880 180.0 34.286 33.545 36.750 0.000 0.000 0.000 3/38880 190.0 31.166 30.507 33.419 0.000 0.000 0.000 3/38880 200.0 28.533 27.944 30.607 0.000 0.000 0.000 3/38880 210.0 26.287 25.759 28.208 0.000 0.000 0.000 3/38880 220.0 24.354 23.879 26.145 0.000 0.000 0.000 3/38880 230.0 22.677 22.249 24.355 0.000 0.000 0.000 3/38880 240.0 21.211 20.823 22.790 0.000 0.000 0.000 3/38880 250.0 19.920 19.568 21.412 0.000 0.000 0.000 3/38880 260.0 18.776 18.456 20.191 0.000 0.000 0.000 3/38880 270.0 17.757 17.464 19.103 0.000 0.000 0.000 3/38880 280.0 16.842 16.574 18.128 0.000 0.000 0.000 3/38880 290.0 16.018 15.772 17.249 0.000 0.000 0.000 3/38880 300.0 15.273 15.046 16.453 0.000 0.000 0.000 3/38880 310.0 14.595 14.386 15.730 0.000 0.000 0.000 3/38880 320.0 13.975 13.783 15.070 0.000 0.000 0.000 3/38880 330.0 13.408 13.230 14.465 0.000 0.000 0.000 3/38880 340.0 12.886 12.721 13.908 0.000 0.000 0.000 3/38880 350.0 12.405 12.252 13.394 0.000 0.000 0.000 3/38880 360.0 11.960 11.817 12.919 0.000 0.000 0.000 3/38880 370.0 11.546 11.413 12.477 0.000 0.000 0.000 3/38880 380.0 11.161 11.037 12.067 0.000 0.000 0.000 3/38880 390.0 10.802 10.687 11.683 0.000 0.000 0.000 3/38880 400.0 10.467 10.358 11.324 0.000 0.000 0.000 3/38880 410.0 10.152 10.050 10.988 0.000 0.000 0.000 3/38880 420.0 9.857 9.761 10.672 0.000 0.000 0.000 3/38880 430.0 9.578 9.489 10.375 0.000 0.000 -0.000 3/38880 440.0 9.316 9.232 10.094 0.000 0.000 -0.000 3/38880 450.0 9.069 8.989 9.829 0.000 0.000 -0.000 3/38880 460.0 8.834 8.759 9.579 0.000 0.000 -0.000 3/38880 470.0 8.612 8.542 9.341 0.000 0.000 -0.000 3/38880 480.0 8.402 8.335 9.115 0.000 0.000 -0.000 3/38880 490.0 8.202 8.138 8.901 0.000 0.000 -0.000 3/38880 500.0 8.011 7.951 8.697 0.000 0.000 -0.000 3/38880 510.0 7.830 7.773 8.502 0.000 0.000 -0.000 3/38880 520.0 7.657 7.603 8.316 0.000 0.000 -0.000 3/38880 530.0 7.492 7.440 8.139 0.000 0.000 -0.000 3/38880 540.0 7.334 7.285 7.969 0.000 0.000 -0.000 3/38880 550.0 7.182 7.136 7.807 0.000 0.000 -0.000 3/38880 560.0 7.038 6.993 7.651 0.000 0.000 -0.000 3/38880 570.0 6.899 6.856 7.502 0.000 0.000 -0.000 3/38880 580.0 6.765 6.725 7.358 0.000 0.000 -0.000 3/38880 590.0 6.637 6.599 7.220 0.000 0.000 -0.000 3/38880 600.0 6.514 6.477 7.088 0.000 0.000 -0.000 3/38880 610.0 6.396 6.360 6.960 0.000 0.000 -0.000 3/38880 620.0 6.282 6.248 6.837 0.000 0.000 -0.000 3/38880 630.0 6.172 6.139 6.719 0.000 0.000 -0.000 3/38880 640.0 6.066 6.035 6.605 0.000 0.000 -0.000 3/38880 650.0 5.963 5.934 6.494 0.000 0.000 -0.000 3/38880 660.0 5.864 5.836 6.388 0.000 0.000 -0.000 3/38880 670.0 5.769 5.742 6.285 0.000 0.000 -0.000 3/38880 680.0 5.677 5.650 6.185 0.000 0.000 -0.000 3/38880 690.0 5.587 5.562 6.089 0.000 0.000 -0.000 3/38880 700.0 5.501 5.476 5.995 0.000 0.000 -0.000 3/38880 710.0 5.417 5.394 5.905 0.000 0.000 -0.000 3/38880 720.0 5.336 5.313 5.817 0.000 0.000 -0.000 3/38880 730.0 5.257 5.235 5.732 0.000 0.000 -0.000 3/38880 740.0 5.181 5.160 5.649 0.000 0.000 -0.000 3/38880 750.0 5.107 5.087 5.569 0.000 0.000 -0.000 3/38880 760.0 5.035 5.015 5.491 0.000 0.000 -0.000 3/38880 770.0 4.965 4.946 5.416 0.000 0.000 -0.000 3/38880 780.0 4.897 4.879 5.342 0.000 0.000 -0.000 3/38880 790.0 4.831 4.813 5.271 0.000 0.000 -0.000 3/38880 800.0 4.767 4.750 5.201 0.000 0.000 -0.000 3/38880 810.0 4.704 4.688 5.133 0.000 0.000 -0.000 3/38880 820.0 4.643 4.627 5.068 0.000 0.000 -0.000 3/38880 830.0 4.584 4.569 5.003 0.000 0.000 -0.000 3/38880 840.0 4.526 4.511 4.941 0.000 0.000 -0.000 3/38880 850.0 4.470 4.456 4.880 0.000 0.000 -0.000 3/38880 860.0 4.415 4.401 4.820 0.000 0.000 -0.000 3/38880 870.0 4.362 4.348 4.762 0.000 0.000 -0.000 3/38880 880.0 4.310 4.296 4.706 0.000 0.000 -0.000 3/38880 890.0 4.259 4.246 4.651 0.000 0.000 -0.000 3/38880 900.0 4.209 4.197 4.597 0.000 0.000 -0.000 3/38880 910.0 4.160 4.148 4.544 0.000 0.000 -0.000 3/38880 920.0 4.113 4.101 4.493 0.000 0.000 -0.000 3/38880 930.0 4.067 4.055 4.442 0.000 0.000 -0.000 3/38880 940.0 4.021 4.010 4.393 0.000 0.000 -0.000 3/38880 950.0 3.977 3.966 4.345 0.000 0.000 -0.000 3/38880 960.0 3.934 3.924 4.298 0.000 0.000 -0.000 3/38880 970.0 3.892 3.881 4.252 0.000 0.000 -0.000 3/38880 980.0 3.850 3.840 4.207 0.000 0.000 -0.000 3/38880 990.0 3.810 3.800 4.163 0.000 0.000 -0.000 3/38880 1000.0 3.770 3.761 4.120 0.000 0.000 -0.000 3/38880 Thermal conductivity related properties were written into "kappa-m6610.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:30:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|