----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:00:04]------------------------- 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: Pbcn (60) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 14.299731980000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.737309689999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.043900740000000 Atomic positions (fractional): *1 O 0.24417683121382 0.37691244603177 0.42174789410781 15.999 2 O 0.25582316878618 0.12308755396823 0.92174789410781 15.999 3 O 0.75582316878618 0.37691244603177 0.07825210589219 15.999 4 O 0.74417683121382 0.12308755396823 0.57825210589219 15.999 5 O 0.75582316878618 0.62308755396823 0.57825210589219 15.999 6 O 0.74417683121382 0.87691244603177 0.07825210589219 15.999 7 O 0.24417683121382 0.62308755396823 0.92174789410781 15.999 8 O 0.25582316878618 0.87691244603177 0.42174789410781 15.999 *9 O 0.42122634096144 0.38639270132373 0.08981409133498 15.999 10 O 0.07877365903856 0.11360729867627 0.58981409133498 15.999 11 O 0.57877365903856 0.38639270132373 0.41018590866502 15.999 12 O 0.92122634096144 0.11360729867627 0.91018590866502 15.999 *13 O 0.09561127260744 0.60535736080729 0.57519706177089 15.999 14 O 0.40438872739256 0.89464263919271 0.07519706177089 15.999 15 O 0.90438872739256 0.60535736080729 0.92480293822911 15.999 16 O 0.59561127260744 0.89464263919271 0.42480293822911 15.999 17 O 0.90438872739256 0.39464263919271 0.42480293822911 15.999 18 O 0.59561127260744 0.10535736080729 0.92480293822911 15.999 19 O 0.09561127260744 0.39464263919271 0.07519706177089 15.999 20 O 0.40438872739256 0.10535736080729 0.57519706177089 15.999 21 O 0.07877365903856 0.88639270132373 0.08981409133498 15.999 22 O 0.42122634096144 0.61360729867627 0.58981409133498 15.999 23 O 0.92122634096144 0.88639270132373 0.41018590866502 15.999 24 O 0.57877365903856 0.61360729867627 0.91018590866502 15.999 *25 Mg 0.00000000000000 0.83452945859126 0.75000000000000 24.305 26 Mg 0.50000000000000 0.66547054140874 0.25000000000000 24.305 27 Mg 0.00000000000000 0.16547054140874 0.25000000000000 24.305 28 Mg 0.50000000000000 0.33452945859126 0.75000000000000 24.305 *29 Nb 0.65978311283915 0.81597731027800 0.75077888834310 92.906 30 Nb 0.84021688716085 0.68402268972200 0.25077888834310 92.906 31 Nb 0.34021688716085 0.81597731027800 0.74922111165690 92.906 32 Nb 0.15978311283915 0.68402268972200 0.24922111165690 92.906 33 Nb 0.84021688716085 0.31597731027800 0.75077888834310 92.906 34 Nb 0.65978311283915 0.18402268972200 0.25077888834310 92.906 35 Nb 0.15978311283915 0.31597731027800 0.74922111165690 92.906 36 Nb 0.34021688716085 0.18402268972200 0.24922111165690 92.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.299731980000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.737309689999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.043900740000000 Atomic positions (fractional): *1 O 0.24417683121382 0.37691244603177 0.42174789410781 15.999 > 1 2 O 0.25582316878618 0.12308755396823 0.92174789410781 15.999 > 2 3 O 0.75582316878618 0.37691244603177 0.07825210589219 15.999 > 3 4 O 0.74417683121382 0.12308755396823 0.57825210589219 15.999 > 4 5 O 0.75582316878618 0.62308755396823 0.57825210589219 15.999 > 5 6 O 0.74417683121382 0.87691244603177 0.07825210589219 15.999 > 6 7 O 0.24417683121382 0.62308755396823 0.92174789410781 15.999 > 7 8 O 0.25582316878618 0.87691244603177 0.42174789410781 15.999 > 8 *9 O 0.42122634096144 0.38639270132373 0.08981409133498 15.999 > 9 10 O 0.07877365903856 0.11360729867627 0.58981409133498 15.999 > 10 11 O 0.57877365903856 0.38639270132373 0.41018590866502 15.999 > 11 12 O 0.92122634096144 0.11360729867627 0.91018590866502 15.999 > 12 *13 O 0.09561127260744 0.60535736080729 0.57519706177089 15.999 > 13 14 O 0.40438872739256 0.89464263919271 0.07519706177089 15.999 > 14 15 O 0.90438872739256 0.60535736080729 0.92480293822911 15.999 > 15 16 O 0.59561127260744 0.89464263919271 0.42480293822911 15.999 > 16 17 O 0.90438872739256 0.39464263919271 0.42480293822911 15.999 > 17 18 O 0.59561127260744 0.10535736080729 0.92480293822911 15.999 > 18 19 O 0.09561127260744 0.39464263919271 0.07519706177089 15.999 > 19 20 O 0.40438872739256 0.10535736080729 0.57519706177089 15.999 > 20 21 O 0.07877365903856 0.88639270132373 0.08981409133498 15.999 > 21 22 O 0.42122634096144 0.61360729867627 0.58981409133498 15.999 > 22 23 O 0.92122634096144 0.88639270132373 0.41018590866502 15.999 > 23 24 O 0.57877365903856 0.61360729867627 0.91018590866502 15.999 > 24 *25 Mg 0.00000000000000 0.83452945859126 0.75000000000000 24.305 > 25 26 Mg 0.50000000000000 0.66547054140874 0.25000000000000 24.305 > 26 27 Mg 0.00000000000000 0.16547054140874 0.25000000000000 24.305 > 27 28 Mg 0.50000000000000 0.33452945859126 0.75000000000000 24.305 > 28 *29 Nb 0.65978311283915 0.81597731027800 0.75077888834310 92.906 > 29 30 Nb 0.84021688716085 0.68402268972200 0.25077888834310 92.906 > 30 31 Nb 0.34021688716085 0.81597731027800 0.74922111165690 92.906 > 31 32 Nb 0.15978311283915 0.68402268972200 0.24922111165690 92.906 > 32 33 Nb 0.84021688716085 0.31597731027800 0.75077888834310 92.906 > 33 34 Nb 0.65978311283915 0.18402268972200 0.25077888834310 92.906 > 34 35 Nb 0.15978311283915 0.31597731027800 0.74922111165690 92.906 > 35 36 Nb 0.34021688716085 0.18402268972200 0.24922111165690 92.906 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.299731980000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.474619379999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.087801480000000 Atomic positions (fractional): *1 O 0.24417683121382 0.18845622301589 0.21087394705391 15.999 > 1 2 O 0.24417683121382 0.68845622301589 0.21087394705391 15.999 > 1 3 O 0.24417683121382 0.18845622301589 0.71087394705391 15.999 > 1 4 O 0.24417683121382 0.68845622301589 0.71087394705391 15.999 > 1 5 O 0.25582316878618 0.06154377698411 0.46087394705391 15.999 > 2 6 O 0.25582316878618 0.56154377698411 0.46087394705391 15.999 > 2 7 O 0.25582316878618 0.06154377698411 0.96087394705391 15.999 > 2 8 O 0.25582316878618 0.56154377698411 0.96087394705391 15.999 > 2 9 O 0.75582316878618 0.18845622301589 0.03912605294609 15.999 > 3 10 O 0.75582316878618 0.68845622301589 0.03912605294609 15.999 > 3 11 O 0.75582316878618 0.18845622301589 0.53912605294609 15.999 > 3 12 O 0.75582316878618 0.68845622301589 0.53912605294609 15.999 > 3 13 O 0.74417683121382 0.06154377698411 0.28912605294609 15.999 > 4 14 O 0.74417683121382 0.56154377698411 0.28912605294609 15.999 > 4 15 O 0.74417683121382 0.06154377698411 0.78912605294609 15.999 > 4 16 O 0.74417683121382 0.56154377698411 0.78912605294609 15.999 > 4 17 O 0.75582316878618 0.31154377698411 0.28912605294609 15.999 > 5 18 O 0.75582316878618 0.81154377698411 0.28912605294609 15.999 > 5 19 O 0.75582316878618 0.31154377698411 0.78912605294609 15.999 > 5 20 O 0.75582316878618 0.81154377698411 0.78912605294609 15.999 > 5 21 O 0.74417683121382 0.43845622301589 0.03912605294609 15.999 > 6 22 O 0.74417683121382 0.93845622301589 0.03912605294609 15.999 > 6 23 O 0.74417683121382 0.43845622301589 0.53912605294609 15.999 > 6 24 O 0.74417683121382 0.93845622301589 0.53912605294609 15.999 > 6 25 O 0.24417683121382 0.31154377698411 0.46087394705391 15.999 > 7 26 O 0.24417683121382 0.81154377698411 0.46087394705391 15.999 > 7 27 O 0.24417683121382 0.31154377698411 0.96087394705391 15.999 > 7 28 O 0.24417683121382 0.81154377698411 0.96087394705391 15.999 > 7 29 O 0.25582316878618 0.43845622301589 0.21087394705391 15.999 > 8 30 O 0.25582316878618 0.93845622301589 0.21087394705391 15.999 > 8 31 O 0.25582316878618 0.43845622301589 0.71087394705391 15.999 > 8 32 O 0.25582316878618 0.93845622301589 0.71087394705391 15.999 > 8 *33 O 0.42122634096144 0.19319635066186 0.04490704566749 15.999 > 9 34 O 0.42122634096144 0.69319635066186 0.04490704566749 15.999 > 9 35 O 0.42122634096144 0.19319635066186 0.54490704566749 15.999 > 9 36 O 0.42122634096144 0.69319635066186 0.54490704566749 15.999 > 9 37 O 0.07877365903856 0.05680364933814 0.29490704566749 15.999 > 10 38 O 0.07877365903856 0.55680364933814 0.29490704566749 15.999 > 10 39 O 0.07877365903856 0.05680364933814 0.79490704566749 15.999 > 10 40 O 0.07877365903856 0.55680364933814 0.79490704566749 15.999 > 10 41 O 0.57877365903856 0.19319635066186 0.20509295433251 15.999 > 11 42 O 0.57877365903856 0.69319635066186 0.20509295433251 15.999 > 11 43 O 0.57877365903856 0.19319635066186 0.70509295433251 15.999 > 11 44 O 0.57877365903856 0.69319635066186 0.70509295433251 15.999 > 11 45 O 0.92122634096144 0.05680364933814 0.45509295433251 15.999 > 12 46 O 0.92122634096144 0.55680364933814 0.45509295433251 15.999 > 12 47 O 0.92122634096144 0.05680364933814 0.95509295433251 15.999 > 12 48 O 0.92122634096144 0.55680364933814 0.95509295433251 15.999 > 12 *49 O 0.09561127260744 0.30267868040364 0.28759853088545 15.999 > 13 50 O 0.09561127260744 0.80267868040364 0.28759853088545 15.999 > 13 51 O 0.09561127260744 0.30267868040364 0.78759853088545 15.999 > 13 52 O 0.09561127260744 0.80267868040364 0.78759853088545 15.999 > 13 53 O 0.40438872739256 0.44732131959636 0.03759853088545 15.999 > 14 54 O 0.40438872739256 0.94732131959636 0.03759853088545 15.999 > 14 55 O 0.40438872739256 0.44732131959636 0.53759853088545 15.999 > 14 56 O 0.40438872739256 0.94732131959636 0.53759853088545 15.999 > 14 57 O 0.90438872739256 0.30267868040364 0.46240146911455 15.999 > 15 58 O 0.90438872739256 0.80267868040364 0.46240146911455 15.999 > 15 59 O 0.90438872739256 0.30267868040364 0.96240146911455 15.999 > 15 60 O 0.90438872739256 0.80267868040364 0.96240146911455 15.999 > 15 61 O 0.59561127260744 0.44732131959636 0.21240146911455 15.999 > 16 62 O 0.59561127260744 0.94732131959636 0.21240146911455 15.999 > 16 63 O 0.59561127260744 0.44732131959636 0.71240146911455 15.999 > 16 64 O 0.59561127260744 0.94732131959636 0.71240146911455 15.999 > 16 65 O 0.90438872739256 0.19732131959636 0.21240146911455 15.999 > 17 66 O 0.90438872739256 0.69732131959636 0.21240146911455 15.999 > 17 67 O 0.90438872739256 0.19732131959636 0.71240146911455 15.999 > 17 68 O 0.90438872739256 0.69732131959636 0.71240146911455 15.999 > 17 69 O 0.59561127260744 0.05267868040364 0.46240146911455 15.999 > 18 70 O 0.59561127260744 0.55267868040364 0.46240146911455 15.999 > 18 71 O 0.59561127260744 0.05267868040364 0.96240146911455 15.999 > 18 72 O 0.59561127260744 0.55267868040364 0.96240146911455 15.999 > 18 73 O 0.09561127260744 0.19732131959636 0.03759853088545 15.999 > 19 74 O 0.09561127260744 0.69732131959636 0.03759853088545 15.999 > 19 75 O 0.09561127260744 0.19732131959636 0.53759853088545 15.999 > 19 76 O 0.09561127260744 0.69732131959636 0.53759853088545 15.999 > 19 77 O 0.40438872739256 0.05267868040364 0.28759853088545 15.999 > 20 78 O 0.40438872739256 0.55267868040364 0.28759853088545 15.999 > 20 79 O 0.40438872739256 0.05267868040364 0.78759853088545 15.999 > 20 80 O 0.40438872739256 0.55267868040364 0.78759853088545 15.999 > 20 81 O 0.07877365903856 0.44319635066186 0.04490704566749 15.999 > 21 82 O 0.07877365903856 0.94319635066186 0.04490704566749 15.999 > 21 83 O 0.07877365903856 0.44319635066186 0.54490704566749 15.999 > 21 84 O 0.07877365903856 0.94319635066186 0.54490704566749 15.999 > 21 85 O 0.42122634096144 0.30680364933814 0.29490704566749 15.999 > 22 86 O 0.42122634096144 0.80680364933814 0.29490704566749 15.999 > 22 87 O 0.42122634096144 0.30680364933814 0.79490704566749 15.999 > 22 88 O 0.42122634096144 0.80680364933814 0.79490704566749 15.999 > 22 89 O 0.92122634096144 0.44319635066186 0.20509295433251 15.999 > 23 90 O 0.92122634096144 0.94319635066186 0.20509295433251 15.999 > 23 91 O 0.92122634096144 0.44319635066186 0.70509295433251 15.999 > 23 92 O 0.92122634096144 0.94319635066186 0.70509295433251 15.999 > 23 93 O 0.57877365903856 0.30680364933814 0.45509295433251 15.999 > 24 94 O 0.57877365903856 0.80680364933814 0.45509295433251 15.999 > 24 95 O 0.57877365903856 0.30680364933814 0.95509295433251 15.999 > 24 96 O 0.57877365903856 0.80680364933814 0.95509295433251 15.999 > 24 *97 Mg 0.00000000000000 0.41726472929563 0.37500000000000 24.305 > 25 98 Mg 0.00000000000000 0.91726472929563 0.37500000000000 24.305 > 25 99 Mg 0.00000000000000 0.41726472929563 0.87500000000000 24.305 > 25 100 Mg 0.00000000000000 0.91726472929563 0.87500000000000 24.305 > 25 101 Mg 0.50000000000000 0.33273527070437 0.12500000000000 24.305 > 26 102 Mg 0.50000000000000 0.83273527070437 0.12500000000000 24.305 > 26 103 Mg 0.50000000000000 0.33273527070437 0.62500000000000 24.305 > 26 104 Mg 0.50000000000000 0.83273527070437 0.62500000000000 24.305 > 26 105 Mg 0.00000000000000 0.08273527070437 0.12500000000000 24.305 > 27 106 Mg 0.00000000000000 0.58273527070437 0.12500000000000 24.305 > 27 107 Mg 0.00000000000000 0.08273527070437 0.62500000000000 24.305 > 27 108 Mg 0.00000000000000 0.58273527070437 0.62500000000000 24.305 > 27 109 Mg 0.50000000000000 0.16726472929563 0.37500000000000 24.305 > 28 110 Mg 0.50000000000000 0.66726472929563 0.37500000000000 24.305 > 28 111 Mg 0.50000000000000 0.16726472929563 0.87500000000000 24.305 > 28 112 Mg 0.50000000000000 0.66726472929563 0.87500000000000 24.305 > 28 *113 Nb 0.65978311283915 0.40798865513900 0.37538944417155 92.906 > 29 114 Nb 0.65978311283915 0.90798865513900 0.37538944417155 92.906 > 29 115 Nb 0.65978311283915 0.40798865513900 0.87538944417155 92.906 > 29 116 Nb 0.65978311283915 0.90798865513900 0.87538944417155 92.906 > 29 117 Nb 0.84021688716085 0.34201134486100 0.12538944417155 92.906 > 30 118 Nb 0.84021688716085 0.84201134486100 0.12538944417155 92.906 > 30 119 Nb 0.84021688716085 0.34201134486100 0.62538944417155 92.906 > 30 120 Nb 0.84021688716085 0.84201134486100 0.62538944417155 92.906 > 30 121 Nb 0.34021688716085 0.40798865513900 0.37461055582845 92.906 > 31 122 Nb 0.34021688716085 0.90798865513900 0.37461055582845 92.906 > 31 123 Nb 0.34021688716085 0.40798865513900 0.87461055582845 92.906 > 31 124 Nb 0.34021688716085 0.90798865513900 0.87461055582845 92.906 > 31 125 Nb 0.15978311283915 0.34201134486100 0.12461055582845 92.906 > 32 126 Nb 0.15978311283915 0.84201134486100 0.12461055582845 92.906 > 32 127 Nb 0.15978311283915 0.34201134486100 0.62461055582845 92.906 > 32 128 Nb 0.15978311283915 0.84201134486100 0.62461055582845 92.906 > 32 129 Nb 0.84021688716085 0.15798865513900 0.37538944417155 92.906 > 33 130 Nb 0.84021688716085 0.65798865513900 0.37538944417155 92.906 > 33 131 Nb 0.84021688716085 0.15798865513900 0.87538944417155 92.906 > 33 132 Nb 0.84021688716085 0.65798865513900 0.87538944417155 92.906 > 33 133 Nb 0.65978311283915 0.09201134486100 0.12538944417155 92.906 > 34 134 Nb 0.65978311283915 0.59201134486100 0.12538944417155 92.906 > 34 135 Nb 0.65978311283915 0.09201134486100 0.62538944417155 92.906 > 34 136 Nb 0.65978311283915 0.59201134486100 0.62538944417155 92.906 > 34 137 Nb 0.15978311283915 0.15798865513900 0.37461055582845 92.906 > 35 138 Nb 0.15978311283915 0.65798865513900 0.37461055582845 92.906 > 35 139 Nb 0.15978311283915 0.15798865513900 0.87461055582845 92.906 > 35 140 Nb 0.15978311283915 0.65798865513900 0.87461055582845 92.906 > 35 141 Nb 0.34021688716085 0.09201134486100 0.12461055582845 92.906 > 36 142 Nb 0.34021688716085 0.59201134486100 0.12461055582845 92.906 > 36 143 Nb 0.34021688716085 0.09201134486100 0.62461055582845 92.906 > 36 144 Nb 0.34021688716085 0.59201134486100 0.62461055582845 92.906 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6235240 0.0000000 0.0000000 0.0000000 4.9844128 0.0000000 0.0000000 0.0000000 5.7089895 -------------------------- Born effective charges -------------------------- 1 O -2.2117671 0.9255629 1.0522575 1.4425435 -2.3201850 -0.3814817 1.4221715 -0.1130288 -3.0863244 2 O -2.2117671 0.9255629 -1.0522575 1.4425435 -2.3201850 0.3814817 -1.4221715 0.1130288 -3.0863244 3 O -2.2117671 -0.9255629 1.0522575 -1.4425435 -2.3201850 0.3814817 1.4221715 0.1130288 -3.0863244 4 O -2.2117671 -0.9255629 -1.0522575 -1.4425435 -2.3201850 -0.3814817 -1.4221715 -0.1130288 -3.0863244 5 O -2.2117671 0.9255629 1.0522575 1.4425435 -2.3201850 -0.3814817 1.4221715 -0.1130288 -3.0863244 6 O -2.2117671 0.9255629 -1.0522575 1.4425435 -2.3201850 0.3814817 -1.4221715 0.1130288 -3.0863244 7 O -2.2117671 -0.9255629 1.0522575 -1.4425435 -2.3201850 0.3814817 1.4221715 0.1130288 -3.0863244 8 O -2.2117671 -0.9255629 -1.0522575 -1.4425435 -2.3201850 -0.3814817 -1.4221715 -0.1130288 -3.0863244 9 O -2.4529710 -1.0712755 0.7588432 -1.0532482 -2.2677099 0.7117727 0.6919346 0.4382894 -1.7195957 10 O -2.4529710 -1.0712755 -0.7588432 -1.0532482 -2.2677099 -0.7117727 -0.6919346 -0.4382894 -1.7195957 11 O -2.4529710 1.0712755 0.7588432 1.0532482 -2.2677099 -0.7117727 0.6919346 -0.4382894 -1.7195957 12 O -2.4529710 1.0712755 -0.7588432 1.0532482 -2.2677099 0.7117727 -0.6919346 0.4382894 -1.7195957 13 O -1.7053949 0.2849594 0.4772478 0.1762203 -2.3304069 1.0795006 0.6584082 1.1917360 -3.4085983 14 O -1.7053949 0.2849594 -0.4772478 0.1762203 -2.3304069 -1.0795006 -0.6584082 -1.1917360 -3.4085983 15 O -1.7053949 -0.2849594 0.4772478 -0.1762203 -2.3304069 -1.0795006 0.6584082 -1.1917360 -3.4085983 16 O -1.7053949 -0.2849594 -0.4772478 -0.1762203 -2.3304069 1.0795006 -0.6584082 1.1917360 -3.4085983 17 O -1.7053949 0.2849594 0.4772478 0.1762203 -2.3304069 1.0795006 0.6584082 1.1917360 -3.4085983 18 O -1.7053949 0.2849594 -0.4772478 0.1762203 -2.3304069 -1.0795006 -0.6584082 -1.1917360 -3.4085983 19 O -1.7053949 -0.2849594 0.4772478 -0.1762203 -2.3304069 -1.0795006 0.6584082 -1.1917360 -3.4085983 20 O -1.7053949 -0.2849594 -0.4772478 -0.1762203 -2.3304069 1.0795006 -0.6584082 1.1917360 -3.4085983 21 O -2.4529710 1.0712755 -0.7588432 1.0532482 -2.2677099 0.7117727 -0.6919346 0.4382894 -1.7195957 22 O -2.4529710 1.0712755 0.7588432 1.0532482 -2.2677099 -0.7117727 0.6919346 -0.4382894 -1.7195957 23 O -2.4529710 -1.0712755 -0.7588432 -1.0532482 -2.2677099 -0.7117727 -0.6919346 -0.4382894 -1.7195957 24 O -2.4529710 -1.0712755 0.7588432 -1.0532482 -2.2677099 0.7117727 0.6919346 0.4382894 -1.7195957 25 Mg 3.6527750 0.0000000 0.0589571 0.0000000 2.4419918 0.0000000 -0.0176802 0.0000000 2.3050307 26 Mg 3.6527750 0.0000000 -0.0589571 0.0000000 2.4419918 0.0000000 0.0176802 0.0000000 2.3050307 27 Mg 3.6527750 0.0000000 0.0589571 0.0000000 2.4419918 0.0000000 -0.0176802 0.0000000 2.3050307 28 Mg 3.6527750 0.0000000 -0.0589571 0.0000000 2.4419918 0.0000000 0.0176802 0.0000000 2.3050307 29 Nb 4.5437454 0.0384991 -0.2939071 -1.0087659 5.6973059 -0.7586450 -0.1987130 0.9456211 7.0620031 30 Nb 4.5437454 0.0384991 0.2939071 -1.0087659 5.6973059 0.7586450 0.1987130 -0.9456211 7.0620031 31 Nb 4.5437454 -0.0384991 -0.2939071 1.0087659 5.6973059 0.7586450 -0.1987130 -0.9456211 7.0620031 32 Nb 4.5437454 -0.0384991 0.2939071 1.0087659 5.6973059 -0.7586450 0.1987130 0.9456211 7.0620031 33 Nb 4.5437454 -0.0384991 0.2939071 1.0087659 5.6973059 -0.7586450 0.1987130 0.9456211 7.0620031 34 Nb 4.5437454 -0.0384991 -0.2939071 1.0087659 5.6973059 0.7586450 -0.1987130 -0.9456211 7.0620031 35 Nb 4.5437454 0.0384991 0.2939071 -1.0087659 5.6973059 0.7586450 0.1987130 -0.9456211 7.0620031 36 Nb 4.5437454 0.0384991 -0.2939071 -1.0087659 5.6973059 -0.7586450 -0.1987130 0.9456211 7.0620031 ---------------------------------------------------------------------------- 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: 3026 Number of blocks in projector: 3026 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 144 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 136 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3026, 2985), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), data: True |-- (644, 636), data: False |-- (644, 8), data: (644, 16) @ (16, 8) |-- (144, 136), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (652, 642), data: False |-- (652, 8), data: (652, 18) @ (18, 8) |-- (152, 144), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 560 - Time: 1.348 Solver_block: 200 / 560 - Time: 1.043 Solver_block: 300 / 560 - Time: 1.074 Solver_block: 400 / 560 - Time: 1.040 Solver_block: 500 / 560 - Time: 1.040 Solver_block: 560 / 560 - Time: 0.682 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.502 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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: 3026 Number of blocks in projector: 3026 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 144 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 136 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3026, 2985), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), data: True |-- (644, 636), data: False |-- (644, 8), data: (644, 16) @ (16, 8) |-- (144, 136), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (652, 642), data: False |-- (652, 8), data: (652, 18) @ (18, 8) |-- (152, 144), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:00:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:00:47]------------------------- 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: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 14.299731980000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.737309689999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.043900740000000 Atomic positions (fractional): 1 O 0.24417683121382 0.37691244603177 0.42174789410781 15.999 2 O 0.25582316878618 0.12308755396823 0.92174789410781 15.999 3 O 0.75582316878618 0.37691244603177 0.07825210589219 15.999 4 O 0.74417683121382 0.12308755396823 0.57825210589219 15.999 5 O 0.75582316878618 0.62308755396823 0.57825210589219 15.999 6 O 0.74417683121382 0.87691244603177 0.07825210589219 15.999 7 O 0.24417683121382 0.62308755396823 0.92174789410781 15.999 8 O 0.25582316878618 0.87691244603177 0.42174789410781 15.999 9 O 0.42122634096144 0.38639270132373 0.08981409133498 15.999 10 O 0.07877365903856 0.11360729867627 0.58981409133498 15.999 11 O 0.57877365903856 0.38639270132373 0.41018590866502 15.999 12 O 0.92122634096144 0.11360729867627 0.91018590866502 15.999 13 O 0.09561127260744 0.60535736080729 0.57519706177089 15.999 14 O 0.40438872739256 0.89464263919271 0.07519706177089 15.999 15 O 0.90438872739256 0.60535736080729 0.92480293822911 15.999 16 O 0.59561127260744 0.89464263919271 0.42480293822911 15.999 17 O 0.90438872739256 0.39464263919271 0.42480293822911 15.999 18 O 0.59561127260744 0.10535736080729 0.92480293822911 15.999 19 O 0.09561127260744 0.39464263919271 0.07519706177089 15.999 20 O 0.40438872739256 0.10535736080729 0.57519706177089 15.999 21 O 0.07877365903856 0.88639270132373 0.08981409133498 15.999 22 O 0.42122634096144 0.61360729867627 0.58981409133498 15.999 23 O 0.92122634096144 0.88639270132373 0.41018590866502 15.999 24 O 0.57877365903856 0.61360729867627 0.91018590866502 15.999 25 Mg 0.00000000000000 0.83452945859126 0.75000000000000 24.305 26 Mg 0.50000000000000 0.66547054140874 0.25000000000000 24.305 27 Mg 0.00000000000000 0.16547054140874 0.25000000000000 24.305 28 Mg 0.50000000000000 0.33452945859126 0.75000000000000 24.305 29 Nb 0.65978311283915 0.81597731027800 0.75077888834310 92.906 30 Nb 0.84021688716085 0.68402268972200 0.25077888834310 92.906 31 Nb 0.34021688716085 0.81597731027800 0.74922111165690 92.906 32 Nb 0.15978311283915 0.68402268972200 0.24922111165690 92.906 33 Nb 0.84021688716085 0.31597731027800 0.75077888834310 92.906 34 Nb 0.65978311283915 0.18402268972200 0.25077888834310 92.906 35 Nb 0.15978311283915 0.31597731027800 0.74922111165690 92.906 36 Nb 0.34021688716085 0.18402268972200 0.24922111165690 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.299731980000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.474619379999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.087801480000000 Atomic positions (fractional): 1 O 0.24417683121382 0.18845622301589 0.21087394705391 15.999 > 1 2 O 0.24417683121382 0.68845622301589 0.21087394705391 15.999 > 1 3 O 0.24417683121382 0.18845622301589 0.71087394705391 15.999 > 1 4 O 0.24417683121382 0.68845622301589 0.71087394705391 15.999 > 1 5 O 0.25582316878618 0.06154377698411 0.46087394705391 15.999 > 5 6 O 0.25582316878618 0.56154377698411 0.46087394705391 15.999 > 5 7 O 0.25582316878618 0.06154377698411 0.96087394705391 15.999 > 5 8 O 0.25582316878618 0.56154377698411 0.96087394705391 15.999 > 5 9 O 0.75582316878618 0.18845622301589 0.03912605294609 15.999 > 9 10 O 0.75582316878618 0.68845622301589 0.03912605294609 15.999 > 9 11 O 0.75582316878618 0.18845622301589 0.53912605294609 15.999 > 9 12 O 0.75582316878618 0.68845622301589 0.53912605294609 15.999 > 9 13 O 0.74417683121382 0.06154377698411 0.28912605294609 15.999 > 13 14 O 0.74417683121382 0.56154377698411 0.28912605294609 15.999 > 13 15 O 0.74417683121382 0.06154377698411 0.78912605294609 15.999 > 13 16 O 0.74417683121382 0.56154377698411 0.78912605294609 15.999 > 13 17 O 0.75582316878618 0.31154377698411 0.28912605294609 15.999 > 17 18 O 0.75582316878618 0.81154377698411 0.28912605294609 15.999 > 17 19 O 0.75582316878618 0.31154377698411 0.78912605294609 15.999 > 17 20 O 0.75582316878618 0.81154377698411 0.78912605294609 15.999 > 17 21 O 0.74417683121382 0.43845622301589 0.03912605294609 15.999 > 21 22 O 0.74417683121382 0.93845622301589 0.03912605294609 15.999 > 21 23 O 0.74417683121382 0.43845622301589 0.53912605294609 15.999 > 21 24 O 0.74417683121382 0.93845622301589 0.53912605294609 15.999 > 21 25 O 0.24417683121382 0.31154377698411 0.46087394705391 15.999 > 25 26 O 0.24417683121382 0.81154377698411 0.46087394705391 15.999 > 25 27 O 0.24417683121382 0.31154377698411 0.96087394705391 15.999 > 25 28 O 0.24417683121382 0.81154377698411 0.96087394705391 15.999 > 25 29 O 0.25582316878618 0.43845622301589 0.21087394705391 15.999 > 29 30 O 0.25582316878618 0.93845622301589 0.21087394705391 15.999 > 29 31 O 0.25582316878618 0.43845622301589 0.71087394705391 15.999 > 29 32 O 0.25582316878618 0.93845622301589 0.71087394705391 15.999 > 29 33 O 0.42122634096144 0.19319635066186 0.04490704566749 15.999 > 33 34 O 0.42122634096144 0.69319635066186 0.04490704566749 15.999 > 33 35 O 0.42122634096144 0.19319635066186 0.54490704566749 15.999 > 33 36 O 0.42122634096144 0.69319635066186 0.54490704566749 15.999 > 33 37 O 0.07877365903856 0.05680364933814 0.29490704566749 15.999 > 37 38 O 0.07877365903856 0.55680364933814 0.29490704566749 15.999 > 37 39 O 0.07877365903856 0.05680364933814 0.79490704566749 15.999 > 37 40 O 0.07877365903856 0.55680364933814 0.79490704566749 15.999 > 37 41 O 0.57877365903856 0.19319635066186 0.20509295433251 15.999 > 41 42 O 0.57877365903856 0.69319635066186 0.20509295433251 15.999 > 41 43 O 0.57877365903856 0.19319635066186 0.70509295433251 15.999 > 41 44 O 0.57877365903856 0.69319635066186 0.70509295433251 15.999 > 41 45 O 0.92122634096144 0.05680364933814 0.45509295433251 15.999 > 45 46 O 0.92122634096144 0.55680364933814 0.45509295433251 15.999 > 45 47 O 0.92122634096144 0.05680364933814 0.95509295433251 15.999 > 45 48 O 0.92122634096144 0.55680364933814 0.95509295433251 15.999 > 45 49 O 0.09561127260744 0.30267868040364 0.28759853088545 15.999 > 49 50 O 0.09561127260744 0.80267868040364 0.28759853088545 15.999 > 49 51 O 0.09561127260744 0.30267868040364 0.78759853088545 15.999 > 49 52 O 0.09561127260744 0.80267868040364 0.78759853088545 15.999 > 49 53 O 0.40438872739256 0.44732131959636 0.03759853088545 15.999 > 53 54 O 0.40438872739256 0.94732131959636 0.03759853088545 15.999 > 53 55 O 0.40438872739256 0.44732131959636 0.53759853088545 15.999 > 53 56 O 0.40438872739256 0.94732131959636 0.53759853088545 15.999 > 53 57 O 0.90438872739256 0.30267868040364 0.46240146911455 15.999 > 57 58 O 0.90438872739256 0.80267868040364 0.46240146911455 15.999 > 57 59 O 0.90438872739256 0.30267868040364 0.96240146911455 15.999 > 57 60 O 0.90438872739256 0.80267868040364 0.96240146911455 15.999 > 57 61 O 0.59561127260744 0.44732131959636 0.21240146911455 15.999 > 61 62 O 0.59561127260744 0.94732131959636 0.21240146911455 15.999 > 61 63 O 0.59561127260744 0.44732131959636 0.71240146911455 15.999 > 61 64 O 0.59561127260744 0.94732131959636 0.71240146911455 15.999 > 61 65 O 0.90438872739256 0.19732131959636 0.21240146911455 15.999 > 65 66 O 0.90438872739256 0.69732131959636 0.21240146911455 15.999 > 65 67 O 0.90438872739256 0.19732131959636 0.71240146911455 15.999 > 65 68 O 0.90438872739256 0.69732131959636 0.71240146911455 15.999 > 65 69 O 0.59561127260744 0.05267868040364 0.46240146911455 15.999 > 69 70 O 0.59561127260744 0.55267868040364 0.46240146911455 15.999 > 69 71 O 0.59561127260744 0.05267868040364 0.96240146911455 15.999 > 69 72 O 0.59561127260744 0.55267868040364 0.96240146911455 15.999 > 69 73 O 0.09561127260744 0.19732131959636 0.03759853088545 15.999 > 73 74 O 0.09561127260744 0.69732131959636 0.03759853088545 15.999 > 73 75 O 0.09561127260744 0.19732131959636 0.53759853088545 15.999 > 73 76 O 0.09561127260744 0.69732131959636 0.53759853088545 15.999 > 73 77 O 0.40438872739256 0.05267868040364 0.28759853088545 15.999 > 77 78 O 0.40438872739256 0.55267868040364 0.28759853088545 15.999 > 77 79 O 0.40438872739256 0.05267868040364 0.78759853088545 15.999 > 77 80 O 0.40438872739256 0.55267868040364 0.78759853088545 15.999 > 77 81 O 0.07877365903856 0.44319635066186 0.04490704566749 15.999 > 81 82 O 0.07877365903856 0.94319635066186 0.04490704566749 15.999 > 81 83 O 0.07877365903856 0.44319635066186 0.54490704566749 15.999 > 81 84 O 0.07877365903856 0.94319635066186 0.54490704566749 15.999 > 81 85 O 0.42122634096144 0.30680364933814 0.29490704566749 15.999 > 85 86 O 0.42122634096144 0.80680364933814 0.29490704566749 15.999 > 85 87 O 0.42122634096144 0.30680364933814 0.79490704566749 15.999 > 85 88 O 0.42122634096144 0.80680364933814 0.79490704566749 15.999 > 85 89 O 0.92122634096144 0.44319635066186 0.20509295433251 15.999 > 89 90 O 0.92122634096144 0.94319635066186 0.20509295433251 15.999 > 89 91 O 0.92122634096144 0.44319635066186 0.70509295433251 15.999 > 89 92 O 0.92122634096144 0.94319635066186 0.70509295433251 15.999 > 89 93 O 0.57877365903856 0.30680364933814 0.45509295433251 15.999 > 93 94 O 0.57877365903856 0.80680364933814 0.45509295433251 15.999 > 93 95 O 0.57877365903856 0.30680364933814 0.95509295433251 15.999 > 93 96 O 0.57877365903856 0.80680364933814 0.95509295433251 15.999 > 93 97 Mg 0.00000000000000 0.41726472929563 0.37500000000000 24.305 > 97 98 Mg 0.00000000000000 0.91726472929563 0.37500000000000 24.305 > 97 99 Mg 0.00000000000000 0.41726472929563 0.87500000000000 24.305 > 97 100 Mg 0.00000000000000 0.91726472929563 0.87500000000000 24.305 > 97 101 Mg 0.50000000000000 0.33273527070437 0.12500000000000 24.305 > 101 102 Mg 0.50000000000000 0.83273527070437 0.12500000000000 24.305 > 101 103 Mg 0.50000000000000 0.33273527070437 0.62500000000000 24.305 > 101 104 Mg 0.50000000000000 0.83273527070437 0.62500000000000 24.305 > 101 105 Mg 0.00000000000000 0.08273527070437 0.12500000000000 24.305 > 105 106 Mg 0.00000000000000 0.58273527070437 0.12500000000000 24.305 > 105 107 Mg 0.00000000000000 0.08273527070437 0.62500000000000 24.305 > 105 108 Mg 0.00000000000000 0.58273527070437 0.62500000000000 24.305 > 105 109 Mg 0.50000000000000 0.16726472929563 0.37500000000000 24.305 > 109 110 Mg 0.50000000000000 0.66726472929563 0.37500000000000 24.305 > 109 111 Mg 0.50000000000000 0.16726472929563 0.87500000000000 24.305 > 109 112 Mg 0.50000000000000 0.66726472929563 0.87500000000000 24.305 > 109 113 Nb 0.65978311283915 0.40798865513900 0.37538944417155 92.906 > 113 114 Nb 0.65978311283915 0.90798865513900 0.37538944417155 92.906 > 113 115 Nb 0.65978311283915 0.40798865513900 0.87538944417155 92.906 > 113 116 Nb 0.65978311283915 0.90798865513900 0.87538944417155 92.906 > 113 117 Nb 0.84021688716085 0.34201134486100 0.12538944417155 92.906 > 117 118 Nb 0.84021688716085 0.84201134486100 0.12538944417155 92.906 > 117 119 Nb 0.84021688716085 0.34201134486100 0.62538944417155 92.906 > 117 120 Nb 0.84021688716085 0.84201134486100 0.62538944417155 92.906 > 117 121 Nb 0.34021688716085 0.40798865513900 0.37461055582845 92.906 > 121 122 Nb 0.34021688716085 0.90798865513900 0.37461055582845 92.906 > 121 123 Nb 0.34021688716085 0.40798865513900 0.87461055582845 92.906 > 121 124 Nb 0.34021688716085 0.90798865513900 0.87461055582845 92.906 > 121 125 Nb 0.15978311283915 0.34201134486100 0.12461055582845 92.906 > 125 126 Nb 0.15978311283915 0.84201134486100 0.12461055582845 92.906 > 125 127 Nb 0.15978311283915 0.34201134486100 0.62461055582845 92.906 > 125 128 Nb 0.15978311283915 0.84201134486100 0.62461055582845 92.906 > 125 129 Nb 0.84021688716085 0.15798865513900 0.37538944417155 92.906 > 129 130 Nb 0.84021688716085 0.65798865513900 0.37538944417155 92.906 > 129 131 Nb 0.84021688716085 0.15798865513900 0.87538944417155 92.906 > 129 132 Nb 0.84021688716085 0.65798865513900 0.87538944417155 92.906 > 129 133 Nb 0.65978311283915 0.09201134486100 0.12538944417155 92.906 > 133 134 Nb 0.65978311283915 0.59201134486100 0.12538944417155 92.906 > 133 135 Nb 0.65978311283915 0.09201134486100 0.62538944417155 92.906 > 133 136 Nb 0.65978311283915 0.59201134486100 0.62538944417155 92.906 > 133 137 Nb 0.15978311283915 0.15798865513900 0.37461055582845 92.906 > 137 138 Nb 0.15978311283915 0.65798865513900 0.37461055582845 92.906 > 137 139 Nb 0.15978311283915 0.15798865513900 0.87461055582845 92.906 > 137 140 Nb 0.15978311283915 0.65798865513900 0.87461055582845 92.906 > 137 141 Nb 0.34021688716085 0.09201134486100 0.12461055582845 92.906 > 141 142 Nb 0.34021688716085 0.59201134486100 0.12461055582845 92.906 > 141 143 Nb 0.34021688716085 0.09201134486100 0.62461055582845 92.906 > 141 144 Nb 0.34021688716085 0.59201134486100 0.62461055582845 92.906 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6235240 0.0000000 0.0000000 0.0000000 4.9844128 0.0000000 0.0000000 0.0000000 5.7089895 -------------------------- Born effective charges -------------------------- 1 O -2.2117671 0.9255629 1.0522575 1.4425435 -2.3201850 -0.3814817 1.4221715 -0.1130288 -3.0863244 2 O -2.2117671 0.9255629 -1.0522575 1.4425435 -2.3201850 0.3814817 -1.4221715 0.1130288 -3.0863244 3 O -2.2117671 -0.9255629 1.0522575 -1.4425435 -2.3201850 0.3814817 1.4221715 0.1130288 -3.0863244 4 O -2.2117671 -0.9255629 -1.0522575 -1.4425435 -2.3201850 -0.3814817 -1.4221715 -0.1130288 -3.0863244 5 O -2.2117671 0.9255629 1.0522575 1.4425435 -2.3201850 -0.3814817 1.4221715 -0.1130288 -3.0863244 6 O -2.2117671 0.9255629 -1.0522575 1.4425435 -2.3201850 0.3814817 -1.4221715 0.1130288 -3.0863244 7 O -2.2117671 -0.9255629 1.0522575 -1.4425435 -2.3201850 0.3814817 1.4221715 0.1130288 -3.0863244 8 O -2.2117671 -0.9255629 -1.0522575 -1.4425435 -2.3201850 -0.3814817 -1.4221715 -0.1130288 -3.0863244 9 O -2.4529710 -1.0712755 0.7588432 -1.0532482 -2.2677099 0.7117727 0.6919346 0.4382894 -1.7195957 10 O -2.4529710 -1.0712755 -0.7588432 -1.0532482 -2.2677099 -0.7117727 -0.6919346 -0.4382894 -1.7195957 11 O -2.4529710 1.0712755 0.7588432 1.0532482 -2.2677099 -0.7117727 0.6919346 -0.4382894 -1.7195957 12 O -2.4529710 1.0712755 -0.7588432 1.0532482 -2.2677099 0.7117727 -0.6919346 0.4382894 -1.7195957 13 O -1.7053949 0.2849594 0.4772478 0.1762203 -2.3304069 1.0795006 0.6584082 1.1917360 -3.4085983 14 O -1.7053949 0.2849594 -0.4772478 0.1762203 -2.3304069 -1.0795006 -0.6584082 -1.1917360 -3.4085983 15 O -1.7053949 -0.2849594 0.4772478 -0.1762203 -2.3304069 -1.0795006 0.6584082 -1.1917360 -3.4085983 16 O -1.7053949 -0.2849594 -0.4772478 -0.1762203 -2.3304069 1.0795006 -0.6584082 1.1917360 -3.4085983 17 O -1.7053949 0.2849594 0.4772478 0.1762203 -2.3304069 1.0795006 0.6584082 1.1917360 -3.4085983 18 O -1.7053949 0.2849594 -0.4772478 0.1762203 -2.3304069 -1.0795006 -0.6584082 -1.1917360 -3.4085983 19 O -1.7053949 -0.2849594 0.4772478 -0.1762203 -2.3304069 -1.0795006 0.6584082 -1.1917360 -3.4085983 20 O -1.7053949 -0.2849594 -0.4772478 -0.1762203 -2.3304069 1.0795006 -0.6584082 1.1917360 -3.4085983 21 O -2.4529710 1.0712755 -0.7588432 1.0532482 -2.2677099 0.7117727 -0.6919346 0.4382894 -1.7195957 22 O -2.4529710 1.0712755 0.7588432 1.0532482 -2.2677099 -0.7117727 0.6919346 -0.4382894 -1.7195957 23 O -2.4529710 -1.0712755 -0.7588432 -1.0532482 -2.2677099 -0.7117727 -0.6919346 -0.4382894 -1.7195957 24 O -2.4529710 -1.0712755 0.7588432 -1.0532482 -2.2677099 0.7117727 0.6919346 0.4382894 -1.7195957 25 Mg 3.6527750 0.0000000 0.0589571 0.0000000 2.4419918 0.0000000 -0.0176802 0.0000000 2.3050307 26 Mg 3.6527750 0.0000000 -0.0589571 0.0000000 2.4419918 0.0000000 0.0176802 0.0000000 2.3050307 27 Mg 3.6527750 0.0000000 0.0589571 0.0000000 2.4419918 0.0000000 -0.0176802 0.0000000 2.3050307 28 Mg 3.6527750 0.0000000 -0.0589571 0.0000000 2.4419918 0.0000000 0.0176802 0.0000000 2.3050307 29 Nb 4.5437454 0.0384991 -0.2939071 -1.0087659 5.6973059 -0.7586450 -0.1987130 0.9456211 7.0620031 30 Nb 4.5437454 0.0384991 0.2939071 -1.0087659 5.6973059 0.7586450 0.1987130 -0.9456211 7.0620031 31 Nb 4.5437454 -0.0384991 -0.2939071 1.0087659 5.6973059 0.7586450 -0.1987130 -0.9456211 7.0620031 32 Nb 4.5437454 -0.0384991 0.2939071 1.0087659 5.6973059 -0.7586450 0.1987130 0.9456211 7.0620031 33 Nb 4.5437454 -0.0384991 0.2939071 1.0087659 5.6973059 -0.7586450 0.1987130 0.9456211 7.0620031 34 Nb 4.5437454 -0.0384991 -0.2939071 1.0087659 5.6973059 0.7586450 -0.1987130 -0.9456211 7.0620031 35 Nb 4.5437454 0.0384991 0.2939071 -1.0087659 5.6973059 0.7586450 0.1987130 -0.9456211 7.0620031 36 Nb 4.5437454 0.0384991 -0.2939071 -1.0087659 5.6973059 -0.7586450 -0.1987130 0.9456211 7.0620031 ---------------------------------------------------------------------------- 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[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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: 0.00000011 (yyy) 0.00000011 (yyy) 0.00000011 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zy) 0.00000001 (zy) 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 04:01:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:01:25]------------------------- 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: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 14.299731980000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.737309689999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.043900740000000 Atomic positions (fractional): 1 O 0.24417683121382 0.37691244603177 0.42174789410781 15.999 2 O 0.25582316878618 0.12308755396823 0.92174789410781 15.999 3 O 0.75582316878618 0.37691244603177 0.07825210589219 15.999 4 O 0.74417683121382 0.12308755396823 0.57825210589219 15.999 5 O 0.75582316878618 0.62308755396823 0.57825210589219 15.999 6 O 0.74417683121382 0.87691244603177 0.07825210589219 15.999 7 O 0.24417683121382 0.62308755396823 0.92174789410781 15.999 8 O 0.25582316878618 0.87691244603177 0.42174789410781 15.999 9 O 0.42122634096144 0.38639270132373 0.08981409133498 15.999 10 O 0.07877365903856 0.11360729867627 0.58981409133498 15.999 11 O 0.57877365903856 0.38639270132373 0.41018590866502 15.999 12 O 0.92122634096144 0.11360729867627 0.91018590866502 15.999 13 O 0.09561127260744 0.60535736080729 0.57519706177089 15.999 14 O 0.40438872739256 0.89464263919271 0.07519706177089 15.999 15 O 0.90438872739256 0.60535736080729 0.92480293822911 15.999 16 O 0.59561127260744 0.89464263919271 0.42480293822911 15.999 17 O 0.90438872739256 0.39464263919271 0.42480293822911 15.999 18 O 0.59561127260744 0.10535736080729 0.92480293822911 15.999 19 O 0.09561127260744 0.39464263919271 0.07519706177089 15.999 20 O 0.40438872739256 0.10535736080729 0.57519706177089 15.999 21 O 0.07877365903856 0.88639270132373 0.08981409133498 15.999 22 O 0.42122634096144 0.61360729867627 0.58981409133498 15.999 23 O 0.92122634096144 0.88639270132373 0.41018590866502 15.999 24 O 0.57877365903856 0.61360729867627 0.91018590866502 15.999 25 Mg 0.00000000000000 0.83452945859126 0.75000000000000 24.305 26 Mg 0.50000000000000 0.66547054140874 0.25000000000000 24.305 27 Mg 0.00000000000000 0.16547054140874 0.25000000000000 24.305 28 Mg 0.50000000000000 0.33452945859126 0.75000000000000 24.305 29 Nb 0.65978311283915 0.81597731027800 0.75077888834310 92.906 30 Nb 0.84021688716085 0.68402268972200 0.25077888834310 92.906 31 Nb 0.34021688716085 0.81597731027800 0.74922111165690 92.906 32 Nb 0.15978311283915 0.68402268972200 0.24922111165690 92.906 33 Nb 0.84021688716085 0.31597731027800 0.75077888834310 92.906 34 Nb 0.65978311283915 0.18402268972200 0.25077888834310 92.906 35 Nb 0.15978311283915 0.31597731027800 0.74922111165690 92.906 36 Nb 0.34021688716085 0.18402268972200 0.24922111165690 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.299731980000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.474619379999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.087801480000000 Atomic positions (fractional): 1 O 0.24417683121382 0.18845622301589 0.21087394705391 15.999 > 1 2 O 0.24417683121382 0.68845622301589 0.21087394705391 15.999 > 1 3 O 0.24417683121382 0.18845622301589 0.71087394705391 15.999 > 1 4 O 0.24417683121382 0.68845622301589 0.71087394705391 15.999 > 1 5 O 0.25582316878618 0.06154377698411 0.46087394705391 15.999 > 5 6 O 0.25582316878618 0.56154377698411 0.46087394705391 15.999 > 5 7 O 0.25582316878618 0.06154377698411 0.96087394705391 15.999 > 5 8 O 0.25582316878618 0.56154377698411 0.96087394705391 15.999 > 5 9 O 0.75582316878618 0.18845622301589 0.03912605294609 15.999 > 9 10 O 0.75582316878618 0.68845622301589 0.03912605294609 15.999 > 9 11 O 0.75582316878618 0.18845622301589 0.53912605294609 15.999 > 9 12 O 0.75582316878618 0.68845622301589 0.53912605294609 15.999 > 9 13 O 0.74417683121382 0.06154377698411 0.28912605294609 15.999 > 13 14 O 0.74417683121382 0.56154377698411 0.28912605294609 15.999 > 13 15 O 0.74417683121382 0.06154377698411 0.78912605294609 15.999 > 13 16 O 0.74417683121382 0.56154377698411 0.78912605294609 15.999 > 13 17 O 0.75582316878618 0.31154377698411 0.28912605294609 15.999 > 17 18 O 0.75582316878618 0.81154377698411 0.28912605294609 15.999 > 17 19 O 0.75582316878618 0.31154377698411 0.78912605294609 15.999 > 17 20 O 0.75582316878618 0.81154377698411 0.78912605294609 15.999 > 17 21 O 0.74417683121382 0.43845622301589 0.03912605294609 15.999 > 21 22 O 0.74417683121382 0.93845622301589 0.03912605294609 15.999 > 21 23 O 0.74417683121382 0.43845622301589 0.53912605294609 15.999 > 21 24 O 0.74417683121382 0.93845622301589 0.53912605294609 15.999 > 21 25 O 0.24417683121382 0.31154377698411 0.46087394705391 15.999 > 25 26 O 0.24417683121382 0.81154377698411 0.46087394705391 15.999 > 25 27 O 0.24417683121382 0.31154377698411 0.96087394705391 15.999 > 25 28 O 0.24417683121382 0.81154377698411 0.96087394705391 15.999 > 25 29 O 0.25582316878618 0.43845622301589 0.21087394705391 15.999 > 29 30 O 0.25582316878618 0.93845622301589 0.21087394705391 15.999 > 29 31 O 0.25582316878618 0.43845622301589 0.71087394705391 15.999 > 29 32 O 0.25582316878618 0.93845622301589 0.71087394705391 15.999 > 29 33 O 0.42122634096144 0.19319635066186 0.04490704566749 15.999 > 33 34 O 0.42122634096144 0.69319635066186 0.04490704566749 15.999 > 33 35 O 0.42122634096144 0.19319635066186 0.54490704566749 15.999 > 33 36 O 0.42122634096144 0.69319635066186 0.54490704566749 15.999 > 33 37 O 0.07877365903856 0.05680364933814 0.29490704566749 15.999 > 37 38 O 0.07877365903856 0.55680364933814 0.29490704566749 15.999 > 37 39 O 0.07877365903856 0.05680364933814 0.79490704566749 15.999 > 37 40 O 0.07877365903856 0.55680364933814 0.79490704566749 15.999 > 37 41 O 0.57877365903856 0.19319635066186 0.20509295433251 15.999 > 41 42 O 0.57877365903856 0.69319635066186 0.20509295433251 15.999 > 41 43 O 0.57877365903856 0.19319635066186 0.70509295433251 15.999 > 41 44 O 0.57877365903856 0.69319635066186 0.70509295433251 15.999 > 41 45 O 0.92122634096144 0.05680364933814 0.45509295433251 15.999 > 45 46 O 0.92122634096144 0.55680364933814 0.45509295433251 15.999 > 45 47 O 0.92122634096144 0.05680364933814 0.95509295433251 15.999 > 45 48 O 0.92122634096144 0.55680364933814 0.95509295433251 15.999 > 45 49 O 0.09561127260744 0.30267868040364 0.28759853088545 15.999 > 49 50 O 0.09561127260744 0.80267868040364 0.28759853088545 15.999 > 49 51 O 0.09561127260744 0.30267868040364 0.78759853088545 15.999 > 49 52 O 0.09561127260744 0.80267868040364 0.78759853088545 15.999 > 49 53 O 0.40438872739256 0.44732131959636 0.03759853088545 15.999 > 53 54 O 0.40438872739256 0.94732131959636 0.03759853088545 15.999 > 53 55 O 0.40438872739256 0.44732131959636 0.53759853088545 15.999 > 53 56 O 0.40438872739256 0.94732131959636 0.53759853088545 15.999 > 53 57 O 0.90438872739256 0.30267868040364 0.46240146911455 15.999 > 57 58 O 0.90438872739256 0.80267868040364 0.46240146911455 15.999 > 57 59 O 0.90438872739256 0.30267868040364 0.96240146911455 15.999 > 57 60 O 0.90438872739256 0.80267868040364 0.96240146911455 15.999 > 57 61 O 0.59561127260744 0.44732131959636 0.21240146911455 15.999 > 61 62 O 0.59561127260744 0.94732131959636 0.21240146911455 15.999 > 61 63 O 0.59561127260744 0.44732131959636 0.71240146911455 15.999 > 61 64 O 0.59561127260744 0.94732131959636 0.71240146911455 15.999 > 61 65 O 0.90438872739256 0.19732131959636 0.21240146911455 15.999 > 65 66 O 0.90438872739256 0.69732131959636 0.21240146911455 15.999 > 65 67 O 0.90438872739256 0.19732131959636 0.71240146911455 15.999 > 65 68 O 0.90438872739256 0.69732131959636 0.71240146911455 15.999 > 65 69 O 0.59561127260744 0.05267868040364 0.46240146911455 15.999 > 69 70 O 0.59561127260744 0.55267868040364 0.46240146911455 15.999 > 69 71 O 0.59561127260744 0.05267868040364 0.96240146911455 15.999 > 69 72 O 0.59561127260744 0.55267868040364 0.96240146911455 15.999 > 69 73 O 0.09561127260744 0.19732131959636 0.03759853088545 15.999 > 73 74 O 0.09561127260744 0.69732131959636 0.03759853088545 15.999 > 73 75 O 0.09561127260744 0.19732131959636 0.53759853088545 15.999 > 73 76 O 0.09561127260744 0.69732131959636 0.53759853088545 15.999 > 73 77 O 0.40438872739256 0.05267868040364 0.28759853088545 15.999 > 77 78 O 0.40438872739256 0.55267868040364 0.28759853088545 15.999 > 77 79 O 0.40438872739256 0.05267868040364 0.78759853088545 15.999 > 77 80 O 0.40438872739256 0.55267868040364 0.78759853088545 15.999 > 77 81 O 0.07877365903856 0.44319635066186 0.04490704566749 15.999 > 81 82 O 0.07877365903856 0.94319635066186 0.04490704566749 15.999 > 81 83 O 0.07877365903856 0.44319635066186 0.54490704566749 15.999 > 81 84 O 0.07877365903856 0.94319635066186 0.54490704566749 15.999 > 81 85 O 0.42122634096144 0.30680364933814 0.29490704566749 15.999 > 85 86 O 0.42122634096144 0.80680364933814 0.29490704566749 15.999 > 85 87 O 0.42122634096144 0.30680364933814 0.79490704566749 15.999 > 85 88 O 0.42122634096144 0.80680364933814 0.79490704566749 15.999 > 85 89 O 0.92122634096144 0.44319635066186 0.20509295433251 15.999 > 89 90 O 0.92122634096144 0.94319635066186 0.20509295433251 15.999 > 89 91 O 0.92122634096144 0.44319635066186 0.70509295433251 15.999 > 89 92 O 0.92122634096144 0.94319635066186 0.70509295433251 15.999 > 89 93 O 0.57877365903856 0.30680364933814 0.45509295433251 15.999 > 93 94 O 0.57877365903856 0.80680364933814 0.45509295433251 15.999 > 93 95 O 0.57877365903856 0.30680364933814 0.95509295433251 15.999 > 93 96 O 0.57877365903856 0.80680364933814 0.95509295433251 15.999 > 93 97 Mg 0.00000000000000 0.41726472929563 0.37500000000000 24.305 > 97 98 Mg 0.00000000000000 0.91726472929563 0.37500000000000 24.305 > 97 99 Mg 0.00000000000000 0.41726472929563 0.87500000000000 24.305 > 97 100 Mg 0.00000000000000 0.91726472929563 0.87500000000000 24.305 > 97 101 Mg 0.50000000000000 0.33273527070437 0.12500000000000 24.305 > 101 102 Mg 0.50000000000000 0.83273527070437 0.12500000000000 24.305 > 101 103 Mg 0.50000000000000 0.33273527070437 0.62500000000000 24.305 > 101 104 Mg 0.50000000000000 0.83273527070437 0.62500000000000 24.305 > 101 105 Mg 0.00000000000000 0.08273527070437 0.12500000000000 24.305 > 105 106 Mg 0.00000000000000 0.58273527070437 0.12500000000000 24.305 > 105 107 Mg 0.00000000000000 0.08273527070437 0.62500000000000 24.305 > 105 108 Mg 0.00000000000000 0.58273527070437 0.62500000000000 24.305 > 105 109 Mg 0.50000000000000 0.16726472929563 0.37500000000000 24.305 > 109 110 Mg 0.50000000000000 0.66726472929563 0.37500000000000 24.305 > 109 111 Mg 0.50000000000000 0.16726472929563 0.87500000000000 24.305 > 109 112 Mg 0.50000000000000 0.66726472929563 0.87500000000000 24.305 > 109 113 Nb 0.65978311283915 0.40798865513900 0.37538944417155 92.906 > 113 114 Nb 0.65978311283915 0.90798865513900 0.37538944417155 92.906 > 113 115 Nb 0.65978311283915 0.40798865513900 0.87538944417155 92.906 > 113 116 Nb 0.65978311283915 0.90798865513900 0.87538944417155 92.906 > 113 117 Nb 0.84021688716085 0.34201134486100 0.12538944417155 92.906 > 117 118 Nb 0.84021688716085 0.84201134486100 0.12538944417155 92.906 > 117 119 Nb 0.84021688716085 0.34201134486100 0.62538944417155 92.906 > 117 120 Nb 0.84021688716085 0.84201134486100 0.62538944417155 92.906 > 117 121 Nb 0.34021688716085 0.40798865513900 0.37461055582845 92.906 > 121 122 Nb 0.34021688716085 0.90798865513900 0.37461055582845 92.906 > 121 123 Nb 0.34021688716085 0.40798865513900 0.87461055582845 92.906 > 121 124 Nb 0.34021688716085 0.90798865513900 0.87461055582845 92.906 > 121 125 Nb 0.15978311283915 0.34201134486100 0.12461055582845 92.906 > 125 126 Nb 0.15978311283915 0.84201134486100 0.12461055582845 92.906 > 125 127 Nb 0.15978311283915 0.34201134486100 0.62461055582845 92.906 > 125 128 Nb 0.15978311283915 0.84201134486100 0.62461055582845 92.906 > 125 129 Nb 0.84021688716085 0.15798865513900 0.37538944417155 92.906 > 129 130 Nb 0.84021688716085 0.65798865513900 0.37538944417155 92.906 > 129 131 Nb 0.84021688716085 0.15798865513900 0.87538944417155 92.906 > 129 132 Nb 0.84021688716085 0.65798865513900 0.87538944417155 92.906 > 129 133 Nb 0.65978311283915 0.09201134486100 0.12538944417155 92.906 > 133 134 Nb 0.65978311283915 0.59201134486100 0.12538944417155 92.906 > 133 135 Nb 0.65978311283915 0.09201134486100 0.62538944417155 92.906 > 133 136 Nb 0.65978311283915 0.59201134486100 0.62538944417155 92.906 > 133 137 Nb 0.15978311283915 0.15798865513900 0.37461055582845 92.906 > 137 138 Nb 0.15978311283915 0.65798865513900 0.37461055582845 92.906 > 137 139 Nb 0.15978311283915 0.15798865513900 0.87461055582845 92.906 > 137 140 Nb 0.15978311283915 0.65798865513900 0.87461055582845 92.906 > 137 141 Nb 0.34021688716085 0.09201134486100 0.12461055582845 92.906 > 141 142 Nb 0.34021688716085 0.59201134486100 0.12461055582845 92.906 > 141 143 Nb 0.34021688716085 0.09201134486100 0.62461055582845 92.906 > 141 144 Nb 0.34021688716085 0.59201134486100 0.62461055582845 92.906 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6235240 0.0000000 0.0000000 0.0000000 4.9844128 0.0000000 0.0000000 0.0000000 5.7089895 -------------------------- Born effective charges -------------------------- 1 O -2.2117671 0.9255629 1.0522575 1.4425435 -2.3201850 -0.3814817 1.4221715 -0.1130288 -3.0863244 2 O -2.2117671 0.9255629 -1.0522575 1.4425435 -2.3201850 0.3814817 -1.4221715 0.1130288 -3.0863244 3 O -2.2117671 -0.9255629 1.0522575 -1.4425435 -2.3201850 0.3814817 1.4221715 0.1130288 -3.0863244 4 O -2.2117671 -0.9255629 -1.0522575 -1.4425435 -2.3201850 -0.3814817 -1.4221715 -0.1130288 -3.0863244 5 O -2.2117671 0.9255629 1.0522575 1.4425435 -2.3201850 -0.3814817 1.4221715 -0.1130288 -3.0863244 6 O -2.2117671 0.9255629 -1.0522575 1.4425435 -2.3201850 0.3814817 -1.4221715 0.1130288 -3.0863244 7 O -2.2117671 -0.9255629 1.0522575 -1.4425435 -2.3201850 0.3814817 1.4221715 0.1130288 -3.0863244 8 O -2.2117671 -0.9255629 -1.0522575 -1.4425435 -2.3201850 -0.3814817 -1.4221715 -0.1130288 -3.0863244 9 O -2.4529710 -1.0712755 0.7588432 -1.0532482 -2.2677099 0.7117727 0.6919346 0.4382894 -1.7195957 10 O -2.4529710 -1.0712755 -0.7588432 -1.0532482 -2.2677099 -0.7117727 -0.6919346 -0.4382894 -1.7195957 11 O -2.4529710 1.0712755 0.7588432 1.0532482 -2.2677099 -0.7117727 0.6919346 -0.4382894 -1.7195957 12 O -2.4529710 1.0712755 -0.7588432 1.0532482 -2.2677099 0.7117727 -0.6919346 0.4382894 -1.7195957 13 O -1.7053949 0.2849594 0.4772478 0.1762203 -2.3304069 1.0795006 0.6584082 1.1917360 -3.4085983 14 O -1.7053949 0.2849594 -0.4772478 0.1762203 -2.3304069 -1.0795006 -0.6584082 -1.1917360 -3.4085983 15 O -1.7053949 -0.2849594 0.4772478 -0.1762203 -2.3304069 -1.0795006 0.6584082 -1.1917360 -3.4085983 16 O -1.7053949 -0.2849594 -0.4772478 -0.1762203 -2.3304069 1.0795006 -0.6584082 1.1917360 -3.4085983 17 O -1.7053949 0.2849594 0.4772478 0.1762203 -2.3304069 1.0795006 0.6584082 1.1917360 -3.4085983 18 O -1.7053949 0.2849594 -0.4772478 0.1762203 -2.3304069 -1.0795006 -0.6584082 -1.1917360 -3.4085983 19 O -1.7053949 -0.2849594 0.4772478 -0.1762203 -2.3304069 -1.0795006 0.6584082 -1.1917360 -3.4085983 20 O -1.7053949 -0.2849594 -0.4772478 -0.1762203 -2.3304069 1.0795006 -0.6584082 1.1917360 -3.4085983 21 O -2.4529710 1.0712755 -0.7588432 1.0532482 -2.2677099 0.7117727 -0.6919346 0.4382894 -1.7195957 22 O -2.4529710 1.0712755 0.7588432 1.0532482 -2.2677099 -0.7117727 0.6919346 -0.4382894 -1.7195957 23 O -2.4529710 -1.0712755 -0.7588432 -1.0532482 -2.2677099 -0.7117727 -0.6919346 -0.4382894 -1.7195957 24 O -2.4529710 -1.0712755 0.7588432 -1.0532482 -2.2677099 0.7117727 0.6919346 0.4382894 -1.7195957 25 Mg 3.6527750 0.0000000 0.0589571 0.0000000 2.4419918 0.0000000 -0.0176802 0.0000000 2.3050307 26 Mg 3.6527750 0.0000000 -0.0589571 0.0000000 2.4419918 0.0000000 0.0176802 0.0000000 2.3050307 27 Mg 3.6527750 0.0000000 0.0589571 0.0000000 2.4419918 0.0000000 -0.0176802 0.0000000 2.3050307 28 Mg 3.6527750 0.0000000 -0.0589571 0.0000000 2.4419918 0.0000000 0.0176802 0.0000000 2.3050307 29 Nb 4.5437454 0.0384991 -0.2939071 -1.0087659 5.6973059 -0.7586450 -0.1987130 0.9456211 7.0620031 30 Nb 4.5437454 0.0384991 0.2939071 -1.0087659 5.6973059 0.7586450 0.1987130 -0.9456211 7.0620031 31 Nb 4.5437454 -0.0384991 -0.2939071 1.0087659 5.6973059 0.7586450 -0.1987130 -0.9456211 7.0620031 32 Nb 4.5437454 -0.0384991 0.2939071 1.0087659 5.6973059 -0.7586450 0.1987130 0.9456211 7.0620031 33 Nb 4.5437454 -0.0384991 0.2939071 1.0087659 5.6973059 -0.7586450 0.1987130 0.9456211 7.0620031 34 Nb 4.5437454 -0.0384991 -0.2939071 1.0087659 5.6973059 0.7586450 -0.1987130 -0.9456211 7.0620031 35 Nb 4.5437454 0.0384991 0.2939071 -1.0087659 5.6973059 0.7586450 0.1987130 -0.9456211 7.0620031 36 Nb 4.5437454 0.0384991 -0.2939071 -1.0087659 5.6973059 -0.7586450 -0.1987130 0.9456211 7.0620031 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000011 (yyy) 0.00000011 (yyy) 0.00000011 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 3 9 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: 0.56, Number of G-points: 301, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.222 ( 0.000 0.000 0.000) 0.000 2.363 ( 0.000 0.000 0.000) 0.000 2.748 ( 0.000 0.000 0.000) 0.000 3.400 ( 0.000 0.000 0.000) 0.000 3.618 ( 0.000 0.000 0.000) 0.000 4.036 ( 0.000 0.000 0.000) 0.000 4.218 ( 0.000 0.000 0.000) 0.000 4.288 ( 0.000 0.000 0.000) 0.000 4.323 ( 0.000 0.000 0.000) 0.000 4.686 ( 0.000 0.000 0.000) 0.000 4.718 ( 0.000 0.000 0.000) 0.000 5.396 ( 0.000 0.000 0.000) 0.000 5.452 ( 0.000 0.000 0.000) 0.000 5.618 ( 0.000 0.000 0.000) 0.000 5.830 ( 0.000 0.000 0.000) 0.000 5.855 ( 0.000 0.000 0.000) 0.000 5.894 ( 0.000 0.000 0.000) 0.000 6.110 ( 0.000 0.000 0.000) 0.000 6.241 ( 0.000 0.000 0.000) 0.000 6.293 ( 0.000 0.000 0.000) 0.000 6.320 ( 0.000 0.000 0.000) 0.000 6.435 ( 0.000 0.000 0.000) 0.000 6.525 ( 0.000 0.000 0.000) 0.000 6.627 ( 0.000 0.000 0.000) 0.000 6.711 ( 0.000 0.000 0.000) 0.000 6.780 ( 0.000 0.000 0.000) 0.000 6.861 ( 0.000 0.000 0.000) 0.000 6.885 ( 0.000 0.000 0.000) 0.000 7.178 ( 0.000 0.000 0.000) 0.000 7.422 ( 0.000 0.000 0.000) 0.000 7.434 ( 0.000 0.000 0.000) 0.000 7.572 ( 0.000 0.000 0.000) 0.000 7.590 ( 0.000 0.000 0.000) 0.000 7.650 ( 0.000 0.000 0.000) 0.000 7.676 ( 0.000 0.000 0.000) 0.000 7.732 ( 0.000 0.000 0.000) 0.000 7.832 ( 0.000 0.000 0.000) 0.000 7.919 ( 0.000 0.000 0.000) 0.000 8.113 ( 0.000 0.000 0.000) 0.000 8.142 ( 0.000 0.000 0.000) 0.000 8.387 ( 0.000 0.000 0.000) 0.000 8.461 ( 0.000 0.000 0.000) 0.000 8.723 ( 0.000 0.000 0.000) 0.000 8.733 ( 0.000 0.000 0.000) 0.000 8.812 ( 0.000 0.000 0.000) 0.000 9.042 ( 0.000 0.000 0.000) 0.000 9.163 ( 0.000 0.000 0.000) 0.000 9.356 ( 0.000 0.000 0.000) 0.000 9.492 ( 0.000 0.000 0.000) 0.000 9.639 ( 0.000 0.000 0.000) 0.000 9.719 ( 0.000 0.000 0.000) 0.000 9.961 ( 0.000 0.000 0.000) 0.000 10.035 ( 0.000 0.000 0.000) 0.000 10.038 ( 0.000 0.000 0.000) 0.000 10.254 ( 0.000 0.000 0.000) 0.000 10.421 ( 0.000 0.000 0.000) 0.000 10.522 ( 0.000 0.000 0.000) 0.000 11.150 ( 0.000 0.000 0.000) 0.000 11.353 ( 0.000 0.000 0.000) 0.000 11.496 ( 0.000 0.000 0.000) 0.000 11.616 ( 0.000 0.000 0.000) 0.000 11.931 ( 0.000 0.000 0.000) 0.000 11.968 ( 0.000 0.000 0.000) 0.000 12.011 ( 0.000 0.000 0.000) 0.000 12.075 ( 0.000 0.000 0.000) 0.000 12.076 ( 0.000 0.000 0.000) 0.000 12.770 ( 0.000 0.000 0.000) 0.000 12.875 ( 0.000 0.000 0.000) 0.000 12.881 ( 0.000 0.000 0.000) 0.000 13.105 ( 0.000 0.000 0.000) 0.000 13.108 ( 0.000 0.000 0.000) 0.000 13.209 ( 0.000 0.000 0.000) 0.000 13.310 ( 0.000 0.000 0.000) 0.000 13.531 ( 0.000 0.000 0.000) 0.000 13.572 ( 0.000 0.000 0.000) 0.000 14.472 ( 0.000 0.000 0.000) 0.000 14.501 ( 0.000 0.000 0.000) 0.000 14.561 ( 0.000 0.000 0.000) 0.000 14.949 ( 0.000 0.000 0.000) 0.000 15.200 ( 0.000 0.000 0.000) 0.000 15.673 ( 0.000 0.000 0.000) 0.000 15.739 ( 0.000 0.000 0.000) 0.000 15.963 ( 0.000 0.000 0.000) 0.000 16.915 ( 0.000 0.000 0.000) 0.000 16.979 ( 0.000 0.000 0.000) 0.000 17.293 ( 0.000 0.000 0.000) 0.000 17.968 ( 0.000 0.000 0.000) 0.000 18.424 ( 0.000 0.000 0.000) 0.000 18.644 ( 0.000 0.000 0.000) 0.000 18.930 ( 0.000 0.000 0.000) 0.000 19.363 ( 0.000 0.000 0.000) 0.000 20.289 ( 0.000 0.000 0.000) 0.000 20.499 ( 0.000 0.000 0.000) 0.000 21.286 ( 0.000 0.000 0.000) 0.000 21.300 ( 0.000 0.000 0.000) 0.000 21.526 ( 0.000 0.000 0.000) 0.000 23.911 ( 0.000 0.000 0.000) 0.000 24.166 ( 0.000 0.000 0.000) 0.000 24.182 ( 0.000 0.000 0.000) 0.000 24.773 ( 0.000 0.000 0.000) 0.000 24.832 ( 0.000 0.000 0.000) 0.000 25.026 ( 0.000 0.000 0.000) 0.000 25.853 ( 0.000 0.000 0.000) 0.000 26.587 ( 0.000 0.000 0.000) 0.000 26.656 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 36.221 0.000 0.000) 36.221 0.990 ( 41.096 0.000 0.000) 41.096 1.533 ( 61.827 0.000 0.000) 61.827 1.670 ( -32.942 0.000 0.000) 32.942 1.886 ( -31.253 0.000 0.000) 31.253 2.912 ( -50.664 0.000 0.000) 50.664 3.190 ( 23.684 0.000 0.000) 23.684 3.702 ( -19.731 0.000 0.000) 19.731 3.724 ( 19.637 0.000 0.000) 19.637 4.126 ( -13.189 0.000 0.000) 13.189 4.365 ( 2.679 0.000 0.000) 2.679 4.371 ( 3.923 0.000 0.000) 3.923 4.693 ( 0.591 0.000 0.000) 0.591 4.710 ( -0.705 0.000 0.000) 0.705 5.413 ( 2.812 0.000 0.000) 2.812 5.534 ( -6.075 0.000 0.000) 6.075 5.751 ( 17.120 0.000 0.000) 17.120 5.857 ( 2.512 0.000 0.000) 2.512 5.896 ( -0.436 0.000 0.000) 0.436 5.943 ( 6.155 0.000 0.000) 6.155 6.086 ( -11.363 0.000 0.000) 11.363 6.137 ( -9.798 0.000 0.000) 9.798 6.168 ( 4.147 0.000 0.000) 4.147 6.270 ( -4.115 0.000 0.000) 4.115 6.514 ( 4.865 0.000 0.000) 4.865 6.568 ( 0.715 0.000 0.000) 0.715 6.689 ( 4.674 0.000 0.000) 4.674 6.777 ( -1.673 0.000 0.000) 1.673 6.963 ( 5.446 0.000 0.000) 5.446 6.972 ( 5.583 0.000 0.000) 5.583 7.177 ( 4.789 0.000 0.000) 4.789 7.181 ( 0.258 0.000 0.000) 0.258 7.305 ( -11.014 0.000 0.000) 11.014 7.316 ( -6.774 0.000 0.000) 6.774 7.603 ( 0.274 0.000 0.000) 0.274 7.683 ( -4.541 0.000 0.000) 4.541 7.693 ( -2.665 0.000 0.000) 2.665 7.695 ( -1.466 0.000 0.000) 1.466 7.814 ( 3.288 0.000 0.000) 3.288 7.823 ( 3.171 0.000 0.000) 3.171 8.006 ( 9.232 0.000 0.000) 9.232 8.210 ( -1.860 0.000 0.000) 1.860 8.309 ( 10.812 0.000 0.000) 10.812 8.367 ( 5.448 0.000 0.000) 5.448 8.552 ( -9.067 0.000 0.000) 9.067 8.556 ( 2.063 0.000 0.000) 2.063 8.691 ( -3.173 0.000 0.000) 3.173 8.888 ( 7.178 0.000 0.000) 7.178 8.941 ( -15.261 0.000 0.000) 15.261 9.011 ( -2.778 0.000 0.000) 2.778 9.303 ( -1.419 0.000 0.000) 1.419 9.425 ( -11.614 0.000 0.000) 11.614 9.742 ( 2.473 0.000 0.000) 2.473 9.847 ( -7.057 0.000 0.000) 7.057 10.104 ( 9.820 0.000 0.000) 9.820 10.138 ( 6.818 0.000 0.000) 6.818 10.268 ( -2.907 0.000 0.000) 2.907 10.321 ( -7.428 0.000 0.000) 7.428 10.712 ( 14.488 0.000 0.000) 14.488 10.733 ( 20.897 0.000 0.000) 20.897 11.028 ( -10.345 0.000 0.000) 10.345 11.165 ( -14.686 0.000 0.000) 14.686 11.687 ( 5.623 0.000 0.000) 5.623 11.854 ( -8.218 0.000 0.000) 8.218 11.960 ( 1.434 0.000 0.000) 1.434 11.973 ( 0.167 0.000 0.000) 0.167 12.101 ( 1.794 0.000 0.000) 1.794 12.128 ( 0.366 0.000 0.000) 0.366 12.745 ( 0.825 0.000 0.000) 0.825 12.763 ( -0.599 0.000 0.000) 0.599 12.934 ( 4.035 0.000 0.000) 4.035 12.944 ( 5.361 0.000 0.000) 5.361 13.054 ( -3.626 0.000 0.000) 3.626 13.099 ( -2.679 0.000 0.000) 2.679 13.204 ( -0.595 0.000 0.000) 0.595 13.218 ( -4.155 0.000 0.000) 4.155 13.630 ( 4.708 0.000 0.000) 4.708 13.762 ( -5.592 0.000 0.000) 5.592 14.508 ( 0.682 0.000 0.000) 0.682 14.534 ( -1.529 0.000 0.000) 1.529 14.850 ( 3.698 0.000 0.000) 3.698 14.924 ( -2.228 0.000 0.000) 2.228 15.398 ( 14.908 0.000 0.000) 14.908 15.691 ( 1.344 0.000 0.000) 1.344 15.724 ( -1.221 0.000 0.000) 1.221 15.773 ( -14.572 0.000 0.000) 14.572 16.928 ( 1.056 0.000 0.000) 1.056 16.958 ( -1.396 0.000 0.000) 1.396 18.105 ( 9.810 0.000 0.000) 9.810 18.325 ( 5.057 0.000 0.000) 5.057 18.328 ( -7.803 0.000 0.000) 7.803 18.491 ( -8.603 0.000 0.000) 8.603 19.097 ( 9.608 0.000 0.000) 9.608 19.289 ( -6.148 0.000 0.000) 6.148 20.332 ( 3.515 0.000 0.000) 3.515 20.434 ( -4.593 0.000 0.000) 4.593 21.356 ( 5.077 0.000 0.000) 5.077 21.474 ( -4.181 0.000 0.000) 4.181 23.967 ( 4.504 0.000 0.000) 4.504 24.092 ( -5.351 0.000 0.000) 5.351 24.156 ( 0.685 0.000 0.000) 0.685 24.174 ( -0.686 0.000 0.000) 0.686 24.891 ( 4.204 0.000 0.000) 4.204 24.986 ( -3.262 0.000 0.000) 3.262 25.870 ( 1.302 0.000 0.000) 1.302 25.905 ( -1.416 0.000 0.000) 1.416 26.606 ( 1.403 0.000 0.000) 1.403 26.640 ( -1.282 0.000 0.000) 1.282 ======================= Grid point 3 (3/60) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 0.000 33.263 0.000) 33.263 0.754 ( 0.000 38.246 0.000) 38.246 1.184 ( 0.000 59.956 0.000) 59.956 2.186 ( 0.000 -2.288 0.000) 2.288 2.432 ( 0.000 6.956 0.000) 6.956 2.598 ( 0.000 -10.524 0.000) 10.524 3.413 ( 0.000 1.870 0.000) 1.870 3.836 ( 0.000 17.375 0.000) 17.375 4.175 ( 0.000 -4.635 0.000) 4.635 4.225 ( 0.000 -0.453 0.000) 0.453 4.283 ( 0.000 -3.968 0.000) 3.968 4.283 ( 0.000 -0.637 0.000) 0.637 4.797 ( 0.000 6.908 0.000) 6.908 4.845 ( 0.000 14.740 0.000) 14.740 5.410 ( 0.000 -1.217 0.000) 1.217 5.549 ( 0.000 8.941 0.000) 8.941 5.675 ( 0.000 -11.674 0.000) 11.674 5.690 ( 0.000 6.475 0.000) 6.475 5.893 ( 0.000 -3.855 0.000) 3.855 5.972 ( 0.000 5.337 0.000) 5.337 6.108 ( 0.000 -2.955 0.000) 2.955 6.155 ( 0.000 2.779 0.000) 2.779 6.279 ( 0.000 3.705 0.000) 3.705 6.431 ( 0.000 5.398 0.000) 5.398 6.544 ( 0.000 -3.599 0.000) 3.599 6.548 ( 0.000 1.617 0.000) 1.617 6.693 ( 0.000 14.307 0.000) 14.307 6.708 ( 0.000 0.663 0.000) 0.663 6.817 ( 0.000 2.678 0.000) 2.678 6.875 ( 0.000 0.491 0.000) 0.491 6.986 ( 0.000 9.922 0.000) 9.922 7.247 ( 0.000 0.469 0.000) 0.469 7.281 ( 0.000 -7.885 0.000) 7.885 7.454 ( 0.000 -8.720 0.000) 8.720 7.556 ( 0.000 9.042 0.000) 9.042 7.639 ( 0.000 -8.032 0.000) 8.032 7.671 ( 0.000 4.769 0.000) 4.769 7.690 ( 0.000 -5.849 0.000) 5.849 7.822 ( 0.000 11.283 0.000) 11.283 7.852 ( 0.000 -9.180 0.000) 9.180 7.884 ( 0.000 -1.227 0.000) 1.227 8.091 ( 0.000 -1.923 0.000) 1.923 8.190 ( 0.000 3.492 0.000) 3.492 8.429 ( 0.000 3.532 0.000) 3.532 8.614 ( 0.000 12.982 0.000) 12.982 8.665 ( 0.000 -11.092 0.000) 11.092 8.697 ( 0.000 -2.424 0.000) 2.424 9.109 ( 0.000 3.236 0.000) 3.236 9.129 ( 0.000 -3.365 0.000) 3.365 9.339 ( 0.000 -0.282 0.000) 0.282 9.518 ( 0.000 1.171 0.000) 1.171 9.536 ( 0.000 -1.734 0.000) 1.734 9.762 ( 0.000 -13.374 0.000) 13.374 9.946 ( 0.000 -1.330 0.000) 1.330 9.980 ( 0.000 17.201 0.000) 17.201 10.080 ( 0.000 5.251 0.000) 5.251 10.435 ( 0.000 4.372 0.000) 4.372 10.441 ( 0.000 1.688 0.000) 1.688 10.548 ( 0.000 9.676 0.000) 9.676 10.626 ( 0.000 5.534 0.000) 5.534 11.168 ( 0.000 1.968 0.000) 1.968 11.331 ( 0.000 -2.151 0.000) 2.151 11.491 ( 0.000 -0.540 0.000) 0.540 11.609 ( 0.000 -1.055 0.000) 1.055 11.768 ( 0.000 -11.790 0.000) 11.790 11.897 ( 0.000 -4.415 0.000) 4.415 11.988 ( 0.000 -2.508 0.000) 2.508 12.044 ( 0.000 -3.358 0.000) 3.358 12.272 ( 0.000 11.585 0.000) 11.585 12.448 ( 0.000 -15.982 0.000) 15.982 12.824 ( 0.000 -5.777 0.000) 5.777 12.886 ( 0.000 -5.206 0.000) 5.206 13.057 ( 0.000 -6.480 0.000) 6.480 13.071 ( 0.000 -3.849 0.000) 3.849 13.474 ( 0.000 -5.599 0.000) 5.599 13.496 ( 0.000 -7.224 0.000) 7.224 13.532 ( 0.000 22.935 0.000) 22.935 14.404 ( 0.000 -6.556 0.000) 6.556 14.521 ( 0.000 1.926 0.000) 1.926 14.584 ( 0.000 2.060 0.000) 2.060 14.994 ( 0.000 4.889 0.000) 4.889 15.254 ( 0.000 5.112 0.000) 5.112 15.714 ( 0.000 4.126 0.000) 4.126 15.766 ( 0.000 2.503 0.000) 2.503 15.972 ( 0.000 0.802 0.000) 0.802 16.800 ( 0.000 -9.932 0.000) 9.932 16.948 ( 0.000 -3.197 0.000) 3.197 17.084 ( 0.000 -5.213 0.000) 5.213 17.412 ( 0.000 10.232 0.000) 10.232 18.046 ( 0.000 7.652 0.000) 7.652 18.664 ( 0.000 2.072 0.000) 2.072 18.961 ( 0.000 3.163 0.000) 3.163 19.133 ( 0.000 -4.820 0.000) 4.820 19.446 ( 0.000 6.081 0.000) 6.081 20.191 ( 0.000 -9.429 0.000) 9.429 20.404 ( 0.000 -9.311 0.000) 9.311 21.347 ( 0.000 4.321 0.000) 4.321 21.528 ( 0.000 0.238 0.000) 0.238 22.127 ( 0.000 -0.544 0.000) 0.544 23.460 ( 0.000 -26.888 0.000) 26.888 24.389 ( 0.000 -19.683 0.000) 19.683 24.592 ( 0.000 22.796 0.000) 22.796 24.879 ( 0.000 -14.436 0.000) 14.436 25.222 ( 0.000 20.267 0.000) 20.267 25.816 ( 0.000 -4.934 0.000) 4.934 25.846 ( 0.000 -0.347 0.000) 0.347 26.577 ( 0.000 -1.013 0.000) 1.013 26.643 ( 0.000 -1.458 0.000) 1.458 ======================= Grid point 4 (4/60) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 28.376 9.916 0.000) 30.059 1.226 ( 31.231 21.512 0.000) 37.923 1.593 ( -33.595 -2.970 0.000) 33.726 1.926 ( 2.728 20.069 0.000) 20.253 2.066 ( 14.891 26.526 0.000) 30.420 2.908 ( -6.686 -1.747 0.000) 6.910 3.397 ( -11.749 19.287 0.000) 22.584 3.716 ( 15.262 -0.685 0.000) 15.278 3.724 ( -17.905 1.378 0.000) 17.958 4.105 ( -13.218 -1.421 0.000) 13.294 4.364 ( 4.167 -1.341 0.000) 4.377 4.405 ( 2.338 -0.088 0.000) 2.340 4.813 ( 0.960 9.495 0.000) 9.543 4.832 ( -0.729 13.260 0.000) 13.280 5.437 ( 3.789 -1.505 0.000) 4.077 5.584 ( -5.942 0.492 0.000) 5.962 5.704 ( 3.181 -1.531 0.000) 3.530 5.708 ( 1.832 -9.440 0.000) 9.616 5.910 ( 1.724 1.566 0.000) 2.329 5.960 ( -1.297 6.159 0.000) 6.294 6.112 ( 4.590 1.718 0.000) 4.901 6.214 ( -3.816 6.478 0.000) 7.519 6.263 ( 5.112 8.880 0.000) 10.246 6.380 ( -4.242 7.511 0.000) 8.626 6.538 ( 0.343 -1.606 0.000) 1.642 6.556 ( -0.407 -1.357 0.000) 1.417 6.777 ( 5.200 9.573 0.000) 10.894 6.823 ( 1.274 5.188 0.000) 5.343 6.925 ( 2.453 -1.200 0.000) 2.731 6.970 ( -1.800 2.230 0.000) 2.866 6.972 ( 12.510 -6.371 0.000) 14.039 7.257 ( -11.746 -4.972 0.000) 12.755 7.294 ( 4.612 -2.970 0.000) 5.486 7.419 ( 7.170 -7.016 0.000) 10.031 7.466 ( -9.031 -1.492 0.000) 9.154 7.505 ( -2.804 4.109 0.000) 4.974 7.739 ( 3.035 -6.547 0.000) 7.216 7.763 ( -1.960 3.282 0.000) 3.823 7.801 ( 2.985 0.653 0.000) 3.056 7.838 ( -0.993 -0.981 0.000) 1.396 8.013 ( 8.652 0.270 0.000) 8.656 8.168 ( 1.772 -1.818 0.000) 2.539 8.305 ( 9.338 1.600 0.000) 9.474 8.335 ( -2.922 -1.731 0.000) 3.397 8.507 ( -10.122 -7.685 0.000) 12.709 8.595 ( -10.823 3.230 0.000) 11.295 8.683 ( 4.817 8.013 0.000) 9.350 8.829 ( -9.661 2.505 0.000) 9.981 9.149 ( 3.654 5.330 0.000) 6.462 9.265 ( -5.252 2.557 0.000) 5.841 9.528 ( -0.811 9.522 0.000) 9.556 9.539 ( -1.869 23.657 0.000) 23.731 9.813 ( -6.216 7.877 0.000) 10.034 9.837 ( -8.740 0.133 0.000) 8.741 9.877 ( 7.386 -13.201 0.000) 15.127 9.998 ( -1.709 -7.400 0.000) 7.595 10.471 ( 0.250 8.630 0.000) 8.634 10.513 ( -2.304 13.238 0.000) 13.437 10.721 ( 16.700 2.584 0.000) 16.899 10.736 ( 17.800 1.114 0.000) 17.835 11.059 ( -10.506 3.229 0.000) 10.991 11.146 ( -14.481 -1.720 0.000) 14.583 11.651 ( 3.119 -3.871 0.000) 4.971 11.712 ( -0.597 -12.283 0.000) 12.297 11.898 ( 2.362 -9.773 0.000) 10.054 11.899 ( 0.119 -6.091 0.000) 6.092 12.046 ( 11.075 -15.600 0.000) 19.132 12.093 ( 3.037 -3.364 0.000) 4.532 12.254 ( 0.487 5.627 0.000) 5.648 12.384 ( -5.726 -15.452 0.000) 16.479 12.898 ( 5.055 -3.685 0.000) 6.256 12.936 ( 3.434 -5.442 0.000) 6.434 13.024 ( -3.563 -3.806 0.000) 5.214 13.028 ( -2.332 -6.857 0.000) 7.242 13.441 ( -0.796 0.364 0.000) 0.875 13.455 ( -1.385 -3.685 0.000) 3.937 13.762 ( 16.481 20.144 0.000) 26.027 14.272 ( -19.423 14.708 0.000) 24.364 14.524 ( 0.296 1.456 0.000) 1.486 14.546 ( -2.427 1.511 0.000) 2.859 14.974 ( -1.349 5.810 0.000) 5.965 15.052 ( -15.233 16.388 0.000) 22.374 15.539 ( -2.570 9.183 0.000) 9.536 15.668 ( -7.555 -1.167 0.000) 7.644 15.914 ( -5.609 23.879 0.000) 24.529 15.928 ( -2.659 10.329 0.000) 10.666 16.899 ( 0.801 -2.931 0.000) 3.038 16.928 ( -1.385 -3.224 0.000) 3.509 18.043 ( 12.715 -9.959 0.000) 16.151 18.129 ( 4.120 2.444 0.000) 4.790 18.548 ( -4.055 5.838 0.000) 7.109 18.677 ( -15.593 15.600 0.000) 22.057 19.119 ( 9.233 2.259 0.000) 9.506 19.307 ( -6.423 2.281 0.000) 6.816 20.237 ( 3.730 -9.085 0.000) 9.820 20.344 ( -4.651 -8.685 0.000) 9.852 21.358 ( 4.585 0.670 0.000) 4.634 21.475 ( -4.301 0.140 0.000) 4.303 23.135 ( 27.768 -41.686 0.000) 50.088 23.427 ( -3.943 -30.256 0.000) 30.512 24.508 ( 7.560 -14.567 0.000) 16.412 24.604 ( -0.044 14.366 0.000) 14.366 24.852 ( -0.848 -6.705 0.000) 6.759 24.964 ( -11.300 20.384 0.000) 23.307 25.865 ( 1.387 -0.399 0.000) 1.443 25.883 ( 0.881 -2.384 0.000) 2.542 26.596 ( 1.389 -1.036 0.000) 1.733 26.628 ( -1.159 -1.256 0.000) 1.709 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 0.000 34.194 0.000) 34.194 1.467 ( 0.000 35.008 0.000) 35.008 2.214 ( 0.000 7.041 0.000) 7.041 2.274 ( 0.000 49.002 0.000) 49.002 2.477 ( 0.000 -0.587 0.000) 0.587 2.639 ( 0.000 16.391 0.000) 16.391 3.491 ( 0.000 6.142 0.000) 6.142 4.094 ( 0.000 -2.962 0.000) 2.962 4.115 ( 0.000 6.639 0.000) 6.639 4.148 ( 0.000 -8.118 0.000) 8.118 4.153 ( 0.000 -9.154 0.000) 9.154 4.305 ( 0.000 5.488 0.000) 5.488 4.945 ( 0.000 7.709 0.000) 7.709 5.168 ( 0.000 -19.863 0.000) 19.863 5.201 ( 0.000 20.913 0.000) 20.913 5.658 ( 0.000 6.028 0.000) 6.028 5.686 ( 0.000 0.906 0.000) 0.906 5.798 ( 0.000 -1.387 0.000) 1.387 5.845 ( 0.000 8.802 0.000) 8.802 6.085 ( 0.000 5.227 0.000) 5.227 6.144 ( 0.000 -0.861 0.000) 0.861 6.208 ( 0.000 8.613 0.000) 8.613 6.360 ( 0.000 3.563 0.000) 3.563 6.367 ( 0.000 -8.450 0.000) 8.450 6.611 ( 0.000 -0.042 0.000) 0.042 6.629 ( 0.000 11.233 0.000) 11.233 6.698 ( 0.000 0.190 0.000) 0.190 6.830 ( 0.000 -1.032 0.000) 1.032 6.905 ( 0.000 6.532 0.000) 6.532 7.011 ( 0.000 12.978 0.000) 12.978 7.162 ( 0.000 5.100 0.000) 5.100 7.201 ( 0.000 0.126 0.000) 0.126 7.283 ( 0.000 -8.554 0.000) 8.554 7.335 ( 0.000 8.969 0.000) 8.969 7.389 ( 0.000 -15.253 0.000) 15.253 7.455 ( 0.000 -5.382 0.000) 5.382 7.643 ( 0.000 -11.678 0.000) 11.678 7.804 ( 0.000 11.953 0.000) 11.953 7.861 ( 0.000 -1.918 0.000) 1.918 7.941 ( 0.000 16.138 0.000) 16.138 8.000 ( 0.000 6.397 0.000) 6.397 8.053 ( 0.000 -1.816 0.000) 1.816 8.189 ( 0.000 -5.823 0.000) 5.823 8.501 ( 0.000 3.533 0.000) 3.533 8.540 ( 0.000 1.470 0.000) 1.470 8.641 ( 0.000 -3.148 0.000) 3.148 8.882 ( 0.000 13.385 0.000) 13.385 9.047 ( 0.000 -4.257 0.000) 4.257 9.077 ( 0.000 -6.114 0.000) 6.114 9.374 ( 0.000 3.591 0.000) 3.591 9.507 ( 0.000 -1.907 0.000) 1.907 9.528 ( 0.000 -9.903 0.000) 9.903 9.613 ( 0.000 8.230 0.000) 8.230 9.905 ( 0.000 -2.551 0.000) 2.551 10.219 ( 0.000 8.094 0.000) 8.094 10.295 ( 0.000 13.855 0.000) 13.855 10.393 ( 0.000 -3.987 0.000) 3.987 10.459 ( 0.000 -0.644 0.000) 0.644 10.760 ( 0.000 7.672 0.000) 7.672 10.841 ( 0.000 15.209 0.000) 15.209 11.235 ( 0.000 5.115 0.000) 5.115 11.273 ( 0.000 -3.713 0.000) 3.713 11.475 ( 0.000 -1.099 0.000) 1.099 11.546 ( 0.000 -6.311 0.000) 6.311 11.569 ( 0.000 -8.127 0.000) 8.127 11.760 ( 0.000 -6.945 0.000) 6.945 11.909 ( 0.000 -5.786 0.000) 5.786 11.946 ( 0.000 -6.591 0.000) 6.591 12.291 ( 0.000 -1.324 0.000) 1.324 12.466 ( 0.000 7.691 0.000) 7.691 12.667 ( 0.000 -9.990 0.000) 9.990 12.741 ( 0.000 -8.375 0.000) 8.375 12.908 ( 0.000 -7.428 0.000) 7.428 12.955 ( 0.000 -8.186 0.000) 8.186 13.326 ( 0.000 -9.423 0.000) 9.423 13.333 ( 0.000 -8.501 0.000) 8.501 13.894 ( 0.000 12.608 0.000) 12.608 14.245 ( 0.000 -9.153 0.000) 9.153 14.565 ( 0.000 2.284 0.000) 2.284 14.626 ( 0.000 1.989 0.000) 1.989 15.154 ( 0.000 11.743 0.000) 11.743 15.380 ( 0.000 7.554 0.000) 7.554 15.818 ( 0.000 2.322 0.000) 2.322 15.828 ( 0.000 7.540 0.000) 7.540 15.996 ( 0.000 2.020 0.000) 2.020 16.573 ( 0.000 -13.052 0.000) 13.052 16.854 ( 0.000 -6.590 0.000) 6.590 16.940 ( 0.000 -9.469 0.000) 9.469 17.640 ( 0.000 12.729 0.000) 12.729 18.227 ( 0.000 9.249 0.000) 9.249 18.736 ( 0.000 6.145 0.000) 6.145 19.048 ( 0.000 5.574 0.000) 5.574 19.061 ( 0.000 -2.135 0.000) 2.135 19.554 ( 0.000 4.594 0.000) 4.594 19.965 ( 0.000 -12.790 0.000) 12.790 20.165 ( 0.000 -14.700 0.000) 14.700 21.442 ( 0.000 4.957 0.000) 4.957 21.535 ( 0.000 0.487 0.000) 0.487 22.119 ( 0.000 0.026 0.000) 0.026 22.994 ( 0.000 -20.971 0.000) 20.971 24.060 ( 0.000 -13.911 0.000) 13.911 24.523 ( 0.000 -20.497 0.000) 20.497 24.949 ( 0.000 13.995 0.000) 13.995 25.569 ( 0.000 15.155 0.000) 15.155 25.689 ( 0.000 -7.719 0.000) 7.719 25.853 ( 0.000 1.180 0.000) 1.180 26.549 ( 0.000 -1.851 0.000) 1.851 26.599 ( 0.000 -2.991 0.000) 2.991 ======================= Grid point 7 (6/60) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 7.107 33.262 0.000) 34.013 1.663 ( -9.421 19.624 0.000) 21.768 1.769 ( 4.243 24.442 0.000) 24.807 2.251 ( -20.431 17.787 0.000) 27.089 2.722 ( 21.764 32.791 0.000) 39.357 2.873 ( 13.858 -0.764 0.000) 13.879 3.703 ( 2.012 0.830 0.000) 2.177 3.784 ( -17.974 16.512 0.000) 24.407 3.785 ( -0.313 4.910 0.000) 4.920 4.104 ( -13.872 2.366 0.000) 14.073 4.283 ( 5.065 -6.534 0.000) 8.267 4.331 ( 2.803 -7.095 0.000) 7.629 5.020 ( 5.056 9.508 0.000) 10.768 5.128 ( -3.615 7.872 0.000) 8.663 5.243 ( 5.173 -5.889 0.000) 7.838 5.453 ( -11.556 -6.407 0.000) 13.213 5.719 ( 4.214 5.666 0.000) 7.061 5.815 ( -3.451 6.684 0.000) 7.523 5.944 ( 6.353 1.621 0.000) 6.556 6.076 ( -3.206 4.939 0.000) 5.888 6.205 ( 5.687 6.447 0.000) 8.597 6.292 ( -2.504 0.063 0.000) 2.504 6.381 ( 9.332 -1.632 0.000) 9.473 6.424 ( 3.697 -3.085 0.000) 4.816 6.561 ( -4.971 8.573 0.000) 9.910 6.573 ( -4.564 3.551 0.000) 5.782 6.832 ( 8.323 -5.381 0.000) 9.911 6.915 ( 8.183 0.936 0.000) 8.236 6.942 ( 1.070 2.933 0.000) 3.122 7.042 ( -5.018 4.303 0.000) 6.611 7.042 ( 0.916 11.863 0.000) 11.898 7.169 ( -9.642 -1.914 0.000) 9.830 7.196 ( 1.517 -1.391 0.000) 2.058 7.310 ( -5.899 -5.810 0.000) 8.280 7.438 ( 7.677 5.701 0.000) 9.562 7.542 ( 2.848 -7.954 0.000) 8.448 7.659 ( 1.001 -8.321 0.000) 8.381 7.730 ( -6.601 6.616 0.000) 9.346 7.849 ( 1.535 5.836 0.000) 6.035 7.920 ( -3.738 4.946 0.000) 6.200 8.014 ( 7.025 -0.124 0.000) 7.026 8.110 ( 1.272 -4.332 0.000) 4.515 8.221 ( 0.012 -7.449 0.000) 7.449 8.315 ( -9.926 -0.501 0.000) 9.939 8.547 ( 3.497 9.117 0.000) 9.765 8.683 ( -3.485 5.945 0.000) 6.891 8.862 ( -1.014 6.922 0.000) 6.996 8.872 ( -4.998 -0.296 0.000) 5.007 9.174 ( 6.455 1.085 0.000) 6.545 9.316 ( -4.982 5.321 0.000) 7.289 9.652 ( 8.248 -9.592 0.000) 12.651 9.684 ( 8.963 -3.525 0.000) 9.632 9.705 ( 7.443 7.386 0.000) 10.486 9.833 ( -5.518 -3.025 0.000) 6.293 10.022 ( -11.022 11.539 0.000) 15.957 10.063 ( -11.938 12.118 0.000) 17.011 10.543 ( 5.261 -1.987 0.000) 5.624 10.592 ( 3.498 -2.837 0.000) 4.504 10.822 ( 9.242 7.651 0.000) 11.998 10.918 ( 8.432 14.158 0.000) 16.479 11.118 ( -12.138 -0.354 0.000) 12.143 11.158 ( -8.406 6.969 0.000) 10.919 11.485 ( 1.451 -9.508 0.000) 9.618 11.521 ( -1.585 -9.294 0.000) 9.428 11.700 ( 6.791 -7.872 0.000) 10.397 11.761 ( 0.167 -6.330 0.000) 6.332 11.898 ( 0.089 -5.959 0.000) 5.960 11.940 ( -1.712 -8.955 0.000) 9.117 12.303 ( 1.207 1.472 0.000) 1.903 12.366 ( -4.529 3.692 0.000) 5.843 12.790 ( 3.563 -8.443 0.000) 9.164 12.794 ( 6.475 -7.493 0.000) 9.903 12.878 ( -2.273 -6.440 0.000) 6.829 12.922 ( -3.107 -6.515 0.000) 7.218 13.319 ( -0.292 -8.791 0.000) 8.796 13.323 ( -0.579 -8.447 0.000) 8.467 14.076 ( 13.821 8.433 0.000) 16.191 14.287 ( 0.070 -5.756 0.000) 5.757 14.556 ( -0.553 1.690 0.000) 1.778 14.588 ( -3.347 2.063 0.000) 3.932 15.166 ( 2.006 13.596 0.000) 13.743 15.310 ( -7.554 11.227 0.000) 13.531 15.682 ( -6.008 2.144 0.000) 6.379 15.690 ( -8.458 7.571 0.000) 11.352 16.106 ( 5.394 7.145 0.000) 8.952 16.275 ( -12.988 8.628 0.000) 15.592 16.811 ( -1.060 -6.457 0.000) 6.543 16.829 ( -1.608 -7.055 0.000) 7.236 17.959 ( 14.801 1.026 0.000) 14.837 18.193 ( -4.843 3.773 0.000) 6.139 18.709 ( 2.001 10.273 0.000) 10.467 18.888 ( -11.319 6.734 0.000) 13.171 19.179 ( 8.380 3.781 0.000) 9.194 19.383 ( -9.206 5.055 0.000) 10.503 20.021 ( 4.415 -12.041 0.000) 12.825 20.131 ( -3.851 -12.505 0.000) 13.085 21.397 ( 1.647 3.285 0.000) 3.675 21.483 ( -4.004 0.860 0.000) 4.095 22.585 ( 22.860 -17.894 0.000) 29.031 22.922 ( -7.148 -21.659 0.000) 22.808 24.174 ( 9.048 -15.883 0.000) 18.280 24.406 ( -8.942 -18.661 0.000) 20.692 25.041 ( 7.466 12.179 0.000) 14.286 25.287 ( -13.356 10.677 0.000) 17.100 25.840 ( 3.847 -0.898 0.000) 3.950 25.865 ( 0.567 0.659 0.000) 0.869 26.566 ( 1.206 -1.974 0.000) 2.313 26.590 ( -0.732 -2.559 0.000) 2.661 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 0.000 31.588 0.000) 31.588 2.093 ( 0.000 29.045 0.000) 29.045 2.479 ( 0.000 19.392 0.000) 19.392 2.573 ( 0.000 9.389 0.000) 9.389 2.769 ( 0.000 11.293 0.000) 11.293 3.267 ( 0.000 34.376 0.000) 34.376 3.589 ( 0.000 -0.304 0.000) 0.304 3.937 ( 0.000 -12.625 0.000) 12.625 3.938 ( 0.000 -10.997 0.000) 10.997 4.067 ( 0.000 -7.841 0.000) 7.841 4.119 ( 0.000 8.529 0.000) 8.529 4.495 ( 0.000 10.638 0.000) 10.638 4.800 ( 0.000 -15.157 0.000) 15.157 5.069 ( 0.000 3.632 0.000) 3.632 5.540 ( 0.000 -11.974 0.000) 11.974 5.611 ( 0.000 20.146 0.000) 20.146 5.723 ( 0.000 -2.025 0.000) 2.025 5.867 ( 0.000 6.952 0.000) 6.952 5.990 ( 0.000 6.633 0.000) 6.633 6.123 ( 0.000 -2.312 0.000) 2.312 6.242 ( 0.000 8.535 0.000) 8.535 6.247 ( 0.000 -1.974 0.000) 1.974 6.333 ( 0.000 1.654 0.000) 1.654 6.408 ( 0.000 3.094 0.000) 3.094 6.508 ( 0.000 -6.776 0.000) 6.776 6.736 ( 0.000 0.705 0.000) 0.705 6.812 ( 0.000 2.817 0.000) 2.817 6.840 ( 0.000 2.540 0.000) 2.540 6.870 ( 0.000 -11.131 0.000) 11.131 7.121 ( 0.000 -5.970 0.000) 5.970 7.187 ( 0.000 -4.618 0.000) 4.618 7.190 ( 0.000 5.232 0.000) 5.232 7.250 ( 0.000 9.139 0.000) 9.139 7.324 ( 0.000 12.686 0.000) 12.686 7.422 ( 0.000 -10.346 0.000) 10.346 7.507 ( 0.000 5.879 0.000) 5.879 7.548 ( 0.000 11.195 0.000) 11.195 7.810 ( 0.000 -2.891 0.000) 2.891 8.001 ( 0.000 6.940 0.000) 6.940 8.017 ( 0.000 -2.081 0.000) 2.081 8.042 ( 0.000 -6.508 0.000) 6.508 8.063 ( 0.000 0.329 0.000) 0.329 8.245 ( 0.000 14.120 0.000) 14.120 8.538 ( 0.000 -0.423 0.000) 0.423 8.582 ( 0.000 -2.757 0.000) 2.757 8.643 ( 0.000 4.268 0.000) 4.268 8.952 ( 0.000 -3.466 0.000) 3.466 9.019 ( 0.000 2.459 0.000) 2.459 9.075 ( 0.000 4.948 0.000) 4.948 9.363 ( 0.000 -5.979 0.000) 5.979 9.445 ( 0.000 3.624 0.000) 3.624 9.555 ( 0.000 7.754 0.000) 7.754 9.773 ( 0.000 6.727 0.000) 6.727 9.852 ( 0.000 -2.748 0.000) 2.748 10.312 ( 0.000 -4.542 0.000) 4.542 10.367 ( 0.000 6.694 0.000) 6.694 10.392 ( 0.000 -6.415 0.000) 6.415 10.478 ( 0.000 4.731 0.000) 4.731 10.895 ( 0.000 5.670 0.000) 5.670 11.069 ( 0.000 7.529 0.000) 7.529 11.192 ( 0.000 -4.729 0.000) 4.729 11.355 ( 0.000 6.312 0.000) 6.312 11.431 ( 0.000 -2.242 0.000) 2.242 11.447 ( 0.000 -1.871 0.000) 1.871 11.482 ( 0.000 -0.223 0.000) 0.223 11.683 ( 0.000 -1.881 0.000) 1.881 11.765 ( 0.000 -8.444 0.000) 8.444 11.807 ( 0.000 -7.088 0.000) 7.088 12.292 ( 0.000 -1.163 0.000) 1.163 12.464 ( 0.000 -10.199 0.000) 10.199 12.527 ( 0.000 -1.554 0.000) 1.554 12.635 ( 0.000 -0.262 0.000) 0.262 12.762 ( 0.000 -11.107 0.000) 11.107 12.843 ( 0.000 1.660 0.000) 1.660 13.156 ( 0.000 -9.743 0.000) 9.743 13.158 ( 0.000 -7.623 0.000) 7.623 14.017 ( 0.000 1.255 0.000) 1.255 14.078 ( 0.000 -7.259 0.000) 7.259 14.602 ( 0.000 1.556 0.000) 1.556 14.651 ( 0.000 0.455 0.000) 0.455 15.425 ( 0.000 15.209 0.000) 15.209 15.533 ( 0.000 7.933 0.000) 7.933 15.841 ( 0.000 -0.172 0.000) 0.172 15.998 ( 0.000 9.662 0.000) 9.662 16.064 ( 0.000 5.176 0.000) 5.176 16.306 ( 0.000 -14.264 0.000) 14.264 16.697 ( 0.000 -9.314 0.000) 9.314 16.731 ( 0.000 -11.664 0.000) 11.664 17.889 ( 0.000 12.554 0.000) 12.554 18.334 ( 0.000 0.989 0.000) 0.989 18.929 ( 0.000 13.508 0.000) 13.508 19.058 ( 0.000 1.865 0.000) 1.865 19.158 ( 0.000 4.948 0.000) 4.948 19.614 ( 0.000 1.450 0.000) 1.450 19.735 ( 0.000 -10.018 0.000) 10.018 19.858 ( 0.000 -16.497 0.000) 16.497 21.523 ( 0.000 3.126 0.000) 3.126 21.547 ( 0.000 0.743 0.000) 0.743 22.139 ( 0.000 2.374 0.000) 2.374 22.643 ( 0.000 -15.522 0.000) 15.522 23.859 ( 0.000 -6.729 0.000) 6.729 24.149 ( 0.000 -16.889 0.000) 16.889 25.152 ( 0.000 7.748 0.000) 7.748 25.534 ( 0.000 -7.918 0.000) 7.918 25.800 ( 0.000 8.662 0.000) 8.662 25.887 ( 0.000 2.112 0.000) 2.112 26.511 ( 0.000 -1.834 0.000) 1.834 26.537 ( 0.000 -3.048 0.000) 3.048 ======================= Grid point 10 (8/60) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 3.218 33.764 0.000) 33.917 2.134 ( -10.298 28.382 0.000) 30.193 2.276 ( 9.677 24.352 0.000) 26.204 2.595 ( -13.345 16.088 0.000) 20.902 2.902 ( 14.464 3.996 0.000) 15.005 3.168 ( -7.504 11.323 0.000) 13.584 3.791 ( 9.188 3.519 0.000) 9.839 3.873 ( 3.689 2.442 0.000) 4.424 3.897 ( -3.968 -4.384 0.000) 5.913 4.053 ( -2.227 -9.866 0.000) 10.114 4.221 ( 3.574 2.245 0.000) 4.220 4.340 ( -9.546 13.662 0.000) 16.667 4.887 ( 7.305 -12.498 0.000) 14.476 5.058 ( -4.007 -4.641 0.000) 6.132 5.474 ( -1.479 4.563 0.000) 4.796 5.539 ( -4.756 15.668 0.000) 16.374 5.779 ( 3.583 0.312 0.000) 3.597 5.846 ( -1.602 0.610 0.000) 1.714 6.026 ( 2.812 5.417 0.000) 6.103 6.089 ( -1.970 -5.124 0.000) 5.490 6.261 ( 1.184 -5.851 0.000) 5.969 6.273 ( 0.934 -0.916 0.000) 1.308 6.357 ( 0.163 4.494 0.000) 4.497 6.363 ( -2.102 1.254 0.000) 2.447 6.583 ( 2.847 -3.392 0.000) 4.429 6.678 ( -6.606 0.105 0.000) 6.607 6.793 ( 6.475 1.125 0.000) 6.572 6.913 ( -0.614 -3.001 0.000) 3.063 6.941 ( 8.694 1.604 0.000) 8.840 7.069 ( 1.984 -0.598 0.000) 2.072 7.185 ( -6.580 2.725 0.000) 7.122 7.204 ( -5.150 5.680 0.000) 7.667 7.313 ( 3.282 4.683 0.000) 5.719 7.321 ( 0.629 10.723 0.000) 10.742 7.450 ( 1.745 -2.009 0.000) 2.661 7.492 ( 2.718 -5.986 0.000) 6.574 7.622 ( 6.643 9.982 0.000) 11.990 7.809 ( -4.720 3.883 0.000) 6.112 7.928 ( 0.261 -1.886 0.000) 1.904 7.989 ( -3.240 1.826 0.000) 3.719 8.017 ( -1.252 -4.429 0.000) 4.603 8.031 ( -2.862 3.423 0.000) 4.462 8.167 ( -0.901 1.779 0.000) 1.994 8.295 ( -10.492 -1.997 0.000) 10.680 8.713 ( 4.655 3.454 0.000) 5.796 8.772 ( 5.802 -3.549 0.000) 6.802 8.864 ( -6.600 7.772 0.000) 10.196 8.891 ( -2.776 2.993 0.000) 4.082 9.291 ( 11.455 6.458 0.000) 13.150 9.477 ( -3.191 8.100 0.000) 8.706 9.510 ( 5.312 -2.381 0.000) 5.821 9.567 ( 4.677 -5.997 0.000) 7.605 9.803 ( -1.307 0.190 0.000) 1.321 9.822 ( 2.139 4.603 0.000) 5.076 10.208 ( -5.013 6.880 0.000) 8.512 10.262 ( -7.254 7.873 0.000) 10.706 10.426 ( 2.271 -9.117 0.000) 9.396 10.475 ( -1.140 -8.359 0.000) 8.436 10.970 ( 6.723 6.370 0.000) 9.262 11.098 ( 0.529 3.008 0.000) 3.054 11.197 ( 0.311 7.714 0.000) 7.720 11.308 ( -5.756 7.451 0.000) 9.415 11.353 ( -3.157 -5.992 0.000) 6.773 11.353 ( -2.203 -4.256 0.000) 4.793 11.597 ( 5.291 -2.566 0.000) 5.880 11.676 ( -1.088 -2.630 0.000) 2.846 11.769 ( 0.255 -6.992 0.000) 6.997 11.788 ( -1.478 -6.530 0.000) 6.695 12.311 ( 1.369 -1.782 0.000) 2.247 12.364 ( -3.702 -3.407 0.000) 5.031 12.618 ( 3.146 -9.063 0.000) 9.594 12.649 ( 0.241 -6.198 0.000) 6.202 12.801 ( 2.531 -4.078 0.000) 4.800 12.839 ( -0.565 1.595 0.000) 1.693 13.155 ( -0.136 -7.577 0.000) 7.579 13.155 ( -0.092 -8.512 0.000) 8.513 14.122 ( 6.648 -1.762 0.000) 6.877 14.157 ( 4.105 -6.502 0.000) 7.689 14.585 ( -0.861 1.193 0.000) 1.471 14.614 ( -2.821 0.575 0.000) 2.879 15.454 ( 2.310 14.827 0.000) 15.005 15.508 ( -1.906 9.116 0.000) 9.313 15.737 ( -2.656 3.316 0.000) 4.249 15.846 ( -10.246 8.318 0.000) 13.197 16.202 ( 6.803 3.381 0.000) 7.597 16.297 ( -1.329 -3.628 0.000) 3.864 16.646 ( -2.986 -10.178 0.000) 10.607 16.657 ( -2.587 -10.521 0.000) 10.834 18.047 ( 10.189 6.733 0.000) 12.212 18.254 ( -6.600 2.029 0.000) 6.905 18.916 ( 0.399 10.245 0.000) 10.253 18.985 ( -4.742 4.143 0.000) 6.297 19.262 ( 7.860 4.769 0.000) 9.194 19.471 ( -9.089 3.327 0.000) 9.679 19.804 ( 4.616 -9.848 0.000) 10.876 19.881 ( -0.853 -12.794 0.000) 12.823 21.472 ( -0.894 3.946 0.000) 4.046 21.508 ( -2.755 1.607 0.000) 3.190 22.353 ( 12.644 -7.307 0.000) 14.603 22.578 ( -5.978 -14.238 0.000) 15.442 23.930 ( 5.616 -9.121 0.000) 10.711 24.076 ( -5.700 -14.280 0.000) 15.375 25.205 ( 4.774 5.436 0.000) 7.234 25.375 ( -9.195 -0.236 0.000) 9.198 25.868 ( 2.662 3.076 0.000) 4.068 25.892 ( 0.102 1.917 0.000) 1.920 26.526 ( 0.911 -1.920 0.000) 2.125 26.538 ( -0.071 -2.540 0.000) 2.541 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 0.000 19.122 0.000) 19.122 2.532 ( 0.000 12.550 0.000) 12.550 2.777 ( 0.000 9.777 0.000) 9.777 2.884 ( 0.000 -0.020 0.000) 0.020 2.905 ( 0.000 23.314 0.000) 23.314 3.349 ( 0.000 -21.023 0.000) 21.023 3.672 ( 0.000 11.702 0.000) 11.702 3.726 ( 0.000 -5.999 0.000) 5.999 3.777 ( 0.000 -8.044 0.000) 8.044 3.880 ( 0.000 -10.607 0.000) 10.607 4.454 ( 0.000 19.428 0.000) 19.428 4.636 ( 0.000 1.316 0.000) 1.316 4.714 ( 0.000 7.398 0.000) 7.398 4.968 ( 0.000 -14.026 0.000) 14.026 5.445 ( 0.000 4.106 0.000) 4.106 5.593 ( 0.000 -9.084 0.000) 9.084 5.922 ( 0.000 10.338 0.000) 10.338 5.984 ( 0.000 3.018 0.000) 3.018 6.065 ( 0.000 0.274 0.000) 0.274 6.117 ( 0.000 6.520 0.000) 6.520 6.208 ( 0.000 -11.936 0.000) 11.936 6.226 ( 0.000 -3.477 0.000) 3.477 6.382 ( 0.000 4.840 0.000) 4.840 6.424 ( 0.000 -1.162 0.000) 1.162 6.510 ( 0.000 6.730 0.000) 6.730 6.655 ( 0.000 -8.632 0.000) 8.632 6.727 ( 0.000 -0.385 0.000) 0.385 6.763 ( 0.000 -4.050 0.000) 4.050 6.911 ( 0.000 4.684 0.000) 4.684 7.020 ( 0.000 -5.932 0.000) 5.932 7.167 ( 0.000 2.295 0.000) 2.295 7.254 ( 0.000 -6.602 0.000) 6.602 7.381 ( 0.000 9.847 0.000) 9.847 7.419 ( 0.000 6.789 0.000) 6.789 7.513 ( 0.000 4.708 0.000) 4.708 7.566 ( 0.000 -0.674 0.000) 0.674 7.718 ( 0.000 5.210 0.000) 5.210 7.767 ( 0.000 -1.463 0.000) 1.463 7.974 ( 0.000 -0.905 0.000) 0.905 7.981 ( 0.000 -1.273 0.000) 1.273 8.047 ( 0.000 -0.544 0.000) 0.544 8.057 ( 0.000 -0.323 0.000) 0.323 8.452 ( 0.000 6.979 0.000) 6.979 8.517 ( 0.000 0.363 0.000) 0.363 8.534 ( 0.000 -2.533 0.000) 2.533 8.592 ( 0.000 -6.334 0.000) 6.334 9.025 ( 0.000 7.222 0.000) 7.222 9.090 ( 0.000 1.756 0.000) 1.756 9.123 ( 0.000 2.822 0.000) 2.822 9.224 ( 0.000 -7.138 0.000) 7.138 9.627 ( 0.000 10.869 0.000) 10.869 9.700 ( 0.000 4.459 0.000) 4.459 9.818 ( 0.000 -0.037 0.000) 0.037 9.837 ( 0.000 -0.163 0.000) 0.163 10.215 ( 0.000 -4.346 0.000) 4.346 10.239 ( 0.000 -7.265 0.000) 7.265 10.464 ( 0.000 3.226 0.000) 3.226 10.503 ( 0.000 -0.964 0.000) 0.964 10.986 ( 0.000 4.557 0.000) 4.557 11.088 ( 0.000 -5.733 0.000) 5.733 11.187 ( 0.000 7.104 0.000) 7.104 11.347 ( 0.000 -7.422 0.000) 7.422 11.453 ( 0.000 1.969 0.000) 1.969 11.460 ( 0.000 1.755 0.000) 1.755 11.554 ( 0.000 6.390 0.000) 6.390 11.650 ( 0.000 -1.528 0.000) 1.528 11.662 ( 0.000 -0.916 0.000) 0.916 11.681 ( 0.000 -6.278 0.000) 6.278 12.249 ( 0.000 -1.043 0.000) 1.043 12.299 ( 0.000 -6.144 0.000) 6.144 12.490 ( 0.000 -0.057 0.000) 0.057 12.566 ( 0.000 -7.886 0.000) 7.886 12.743 ( 0.000 9.659 0.000) 9.659 12.923 ( 0.000 5.250 0.000) 5.250 12.953 ( 0.000 -11.129 0.000) 11.129 13.030 ( 0.000 -5.871 0.000) 5.871 13.988 ( 0.000 -1.777 0.000) 1.777 13.998 ( 0.000 -1.909 0.000) 1.909 14.627 ( 0.000 1.128 0.000) 1.128 14.646 ( 0.000 -0.767 0.000) 0.767 15.674 ( 0.000 6.214 0.000) 6.214 15.698 ( 0.000 9.917 0.000) 9.917 15.824 ( 0.000 1.275 0.000) 1.275 16.029 ( 0.000 -14.080 0.000) 14.080 16.181 ( 0.000 7.914 0.000) 7.914 16.188 ( 0.000 6.449 0.000) 6.449 16.516 ( 0.000 -8.019 0.000) 8.019 16.517 ( 0.000 -8.751 0.000) 8.751 18.114 ( 0.000 10.360 0.000) 10.360 18.277 ( 0.000 -6.161 0.000) 6.161 19.126 ( 0.000 4.607 0.000) 4.607 19.199 ( 0.000 -1.504 0.000) 1.504 19.223 ( 0.000 16.067 0.000) 16.067 19.538 ( 0.000 -16.425 0.000) 16.425 19.611 ( 0.000 -2.266 0.000) 2.266 19.614 ( 0.000 -1.018 0.000) 1.018 21.561 ( 0.000 0.819 0.000) 0.819 21.561 ( 0.000 0.543 0.000) 0.543 22.221 ( 0.000 6.307 0.000) 6.307 22.388 ( 0.000 -10.885 0.000) 10.885 23.801 ( 0.000 0.851 0.000) 0.851 23.896 ( 0.000 -9.006 0.000) 9.006 25.276 ( 0.000 5.714 0.000) 5.714 25.392 ( 0.000 -6.562 0.000) 6.562 25.908 ( 0.000 2.786 0.000) 2.786 25.921 ( 0.000 0.982 0.000) 0.982 26.486 ( 0.000 -0.632 0.000) 0.632 26.492 ( 0.000 -1.375 0.000) 1.375 ======================= Grid point 13 (10/60) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 4.392 20.231 0.000) 20.702 2.613 ( 2.725 8.570 0.000) 8.993 2.662 ( -2.620 21.394 0.000) 21.553 2.803 ( -6.368 4.217 0.000) 7.638 3.029 ( 7.453 8.596 0.000) 11.377 3.221 ( -8.475 -6.237 0.000) 10.523 3.707 ( 1.749 -3.380 0.000) 3.806 3.733 ( -0.158 -6.984 0.000) 6.985 3.822 ( 2.786 -6.169 0.000) 6.769 3.866 ( -1.044 -9.241 0.000) 9.300 4.494 ( 3.179 16.937 0.000) 17.233 4.582 ( -3.816 8.188 0.000) 9.033 4.782 ( 5.295 1.016 0.000) 5.392 4.912 ( -4.679 -10.164 0.000) 11.189 5.500 ( 3.982 1.247 0.000) 4.173 5.579 ( -1.873 -5.981 0.000) 6.267 5.911 ( -0.293 7.914 0.000) 7.919 5.944 ( -2.295 5.226 0.000) 5.708 5.960 ( -3.389 -3.432 0.000) 4.824 6.005 ( -7.624 -7.399 0.000) 10.624 6.198 ( 4.726 2.621 0.000) 5.404 6.256 ( 1.113 -2.001 0.000) 2.290 6.426 ( -2.314 1.798 0.000) 2.930 6.427 ( -1.193 1.576 0.000) 1.977 6.548 ( 2.018 2.080 0.000) 2.898 6.622 ( -4.745 -4.132 0.000) 6.292 6.808 ( 6.455 0.651 0.000) 6.487 6.844 ( 5.794 -3.171 0.000) 6.605 6.982 ( 8.125 2.920 0.000) 8.634 7.047 ( 6.114 -2.832 0.000) 6.738 7.242 ( -4.880 3.941 0.000) 6.272 7.317 ( -11.279 3.286 0.000) 11.747 7.346 ( 4.126 -3.456 0.000) 5.382 7.403 ( -4.511 -3.039 0.000) 5.439 7.446 ( 5.349 6.562 0.000) 8.466 7.496 ( 2.620 2.300 0.000) 3.486 7.804 ( 5.281 6.515 0.000) 8.387 7.865 ( 5.257 -1.425 0.000) 5.447 7.922 ( -3.217 4.892 0.000) 5.855 7.968 ( -2.664 0.881 0.000) 2.806 8.000 ( -0.870 -1.022 0.000) 1.342 8.043 ( -1.984 -2.825 0.000) 3.452 8.213 ( -10.495 1.590 0.000) 10.615 8.243 ( -10.698 -2.521 0.000) 10.991 8.666 ( 2.716 -2.610 0.000) 3.767 8.679 ( 2.171 -3.594 0.000) 4.199 9.064 ( 1.424 10.275 0.000) 10.373 9.095 ( 0.480 13.404 0.000) 13.412 9.241 ( 9.098 -7.604 0.000) 11.858 9.348 ( 2.483 -11.796 0.000) 12.055 9.648 ( 1.943 10.540 0.000) 10.718 9.693 ( -1.180 7.579 0.000) 7.670 9.826 ( 2.420 1.449 0.000) 2.820 9.867 ( 1.150 -0.762 0.000) 1.380 10.219 ( 0.821 -5.141 0.000) 5.206 10.236 ( 0.078 -8.130 0.000) 8.130 10.365 ( -6.232 2.690 0.000) 6.788 10.379 ( -7.404 0.073 0.000) 7.404 11.062 ( 5.788 4.040 0.000) 7.058 11.133 ( 2.718 -0.901 0.000) 2.863 11.208 ( 0.532 -0.108 0.000) 0.543 11.282 ( -4.400 -4.465 0.000) 6.268 11.378 ( -3.287 3.534 0.000) 4.826 11.400 ( -3.644 1.454 0.000) 3.924 11.611 ( 2.982 3.477 0.000) 4.581 11.654 ( -0.670 -0.095 0.000) 0.676 11.670 ( 1.231 -2.310 0.000) 2.617 11.689 ( -0.242 -4.011 0.000) 4.019 12.262 ( 0.940 -1.515 0.000) 1.783 12.285 ( -0.946 -3.502 0.000) 3.627 12.492 ( 0.514 -2.898 0.000) 2.943 12.524 ( -2.158 -5.581 0.000) 5.984 12.816 ( 3.850 4.417 0.000) 5.859 12.880 ( -1.981 0.553 0.000) 2.057 13.016 ( 2.452 -4.300 0.000) 4.950 13.036 ( 0.306 -4.493 0.000) 4.503 14.067 ( 4.527 -2.286 0.000) 5.072 14.071 ( 4.204 -2.243 0.000) 4.764 14.602 ( -1.403 0.702 0.000) 1.569 14.614 ( -2.171 -0.422 0.000) 2.212 15.648 ( -1.173 4.863 0.000) 5.003 15.668 ( -2.586 4.484 0.000) 5.177 15.832 ( 3.217 7.945 0.000) 8.572 15.955 ( -5.655 -0.398 0.000) 5.669 16.244 ( 4.316 1.614 0.000) 4.608 16.267 ( 3.955 3.407 0.000) 5.220 16.446 ( -4.330 -9.702 0.000) 10.625 16.450 ( -3.984 -8.672 0.000) 9.543 18.176 ( 4.206 5.882 0.000) 7.232 18.256 ( -2.083 -2.057 0.000) 2.928 19.058 ( -3.328 2.979 0.000) 4.467 19.062 ( -4.114 3.662 0.000) 5.508 19.372 ( 6.285 6.936 0.000) 9.360 19.489 ( -3.521 -2.550 0.000) 4.347 19.661 ( 2.678 -4.317 0.000) 5.081 19.672 ( 2.145 -6.853 0.000) 7.181 21.530 ( -1.285 1.763 0.000) 2.182 21.536 ( -1.470 0.933 0.000) 1.741 22.285 ( 4.189 0.320 0.000) 4.201 22.365 ( -2.155 -7.708 0.000) 8.004 23.826 ( 1.888 -1.553 0.000) 2.445 23.873 ( -1.787 -6.491 0.000) 6.733 25.281 ( 0.938 3.023 0.000) 3.165 25.337 ( -3.506 -2.793 0.000) 4.482 25.919 ( 0.522 1.553 0.000) 1.638 25.923 ( 0.066 0.941 0.000) 0.943 26.499 ( 0.723 -0.711 0.000) 1.014 26.502 ( 0.476 -1.053 0.000) 1.156 ======================= Grid point 27 (11/60) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 0.000 0.000 39.060) 39.060 0.831 ( 0.000 0.000 41.492) 41.492 1.225 ( 0.000 0.000 58.523) 58.523 2.384 ( 0.000 0.000 15.080) 15.080 2.419 ( 0.000 0.000 7.388) 7.388 2.888 ( 0.000 0.000 13.553) 13.553 2.985 ( 0.000 0.000 -22.492) 22.492 4.052 ( 0.000 0.000 21.615) 21.615 4.158 ( 0.000 0.000 11.714) 11.714 4.250 ( 0.000 0.000 2.611) 2.611 4.283 ( 0.000 0.000 2.017) 2.017 4.433 ( 0.000 0.000 10.622) 10.622 4.667 ( 0.000 0.000 0.207) 0.207 4.999 ( 0.000 0.000 6.047) 6.047 5.174 ( 0.000 0.000 -20.409) 20.409 5.443 ( 0.000 0.000 0.094) 0.094 5.459 ( 0.000 0.000 -26.162) 26.162 5.685 ( 0.000 0.000 5.769) 5.769 5.822 ( 0.000 0.000 -1.272) 1.272 6.078 ( 0.000 0.000 4.426) 4.426 6.086 ( 0.000 0.000 -15.069) 15.069 6.138 ( 0.000 0.000 -6.100) 6.100 6.291 ( 0.000 0.000 -0.827) 0.827 6.330 ( 0.000 0.000 2.279) 2.279 6.429 ( 0.000 0.000 -7.766) 7.766 6.581 ( 0.000 0.000 4.201) 4.201 6.727 ( 0.000 0.000 -9.599) 9.599 6.742 ( 0.000 0.000 -13.407) 13.407 6.777 ( 0.000 0.000 7.592) 7.592 6.818 ( 0.000 0.000 -8.259) 8.259 7.029 ( 0.000 0.000 -13.152) 13.152 7.189 ( 0.000 0.000 22.879) 22.879 7.276 ( 0.000 0.000 -9.482) 9.482 7.316 ( 0.000 0.000 -7.689) 7.689 7.633 ( 0.000 0.000 3.145) 3.145 7.687 ( 0.000 0.000 0.230) 0.230 7.736 ( 0.000 0.000 0.323) 0.323 7.971 ( 0.000 0.000 4.296) 4.296 8.016 ( 0.000 0.000 15.683) 15.683 8.019 ( 0.000 0.000 17.707) 17.707 8.111 ( 0.000 0.000 -2.887) 2.887 8.223 ( 0.000 0.000 6.347) 6.347 8.307 ( 0.000 0.000 1.433) 1.433 8.562 ( 0.000 0.000 -13.271) 13.271 8.565 ( 0.000 0.000 16.448) 16.448 8.792 ( 0.000 0.000 5.685) 5.685 8.897 ( 0.000 0.000 7.878) 7.878 9.065 ( 0.000 0.000 -2.257) 2.257 9.090 ( 0.000 0.000 -1.923) 1.923 9.330 ( 0.000 0.000 3.259) 3.259 9.451 ( 0.000 0.000 13.129) 13.129 9.571 ( 0.000 0.000 6.612) 6.612 9.695 ( 0.000 0.000 -1.669) 1.669 9.710 ( 0.000 0.000 6.272) 6.272 9.933 ( 0.000 0.000 -8.110) 8.110 10.091 ( 0.000 0.000 4.985) 4.985 10.246 ( 0.000 0.000 -2.618) 2.618 10.498 ( 0.000 0.000 6.829) 6.829 10.565 ( 0.000 0.000 3.656) 3.656 11.080 ( 0.000 0.000 -6.834) 6.834 11.168 ( 0.000 0.000 9.097) 9.097 11.287 ( 0.000 0.000 -6.678) 6.678 11.483 ( 0.000 0.000 -1.206) 1.206 11.499 ( 0.000 0.000 -10.972) 10.972 11.787 ( 0.000 0.000 -16.161) 16.161 11.909 ( 0.000 0.000 -7.308) 7.308 12.083 ( 0.000 0.000 0.173) 0.173 12.176 ( 0.000 0.000 2.230) 2.230 12.198 ( 0.000 0.000 7.612) 7.612 12.809 ( 0.000 0.000 -4.427) 4.427 12.876 ( 0.000 0.000 0.125) 0.125 13.047 ( 0.000 0.000 -9.830) 9.830 13.125 ( 0.000 0.000 1.251) 1.251 13.208 ( 0.000 0.000 7.692) 7.692 13.252 ( 0.000 0.000 -8.233) 8.233 13.330 ( 0.000 0.000 -17.012) 17.012 13.455 ( 0.000 0.000 8.935) 8.935 13.468 ( 0.000 0.000 -9.708) 9.708 14.549 ( 0.000 0.000 -1.385) 1.385 14.552 ( 0.000 0.000 6.265) 6.265 14.593 ( 0.000 0.000 7.966) 7.966 14.700 ( 0.000 0.000 -16.602) 16.602 15.135 ( 0.000 0.000 -6.708) 6.708 15.822 ( 0.000 0.000 -13.769) 13.769 16.381 ( 0.000 0.000 50.417) 50.417 16.828 ( 0.000 0.000 -13.323) 13.323 16.843 ( 0.000 0.000 -6.149) 6.149 17.203 ( 0.000 0.000 -8.616) 8.616 17.956 ( 0.000 0.000 -1.255) 1.255 18.044 ( 0.000 0.000 1.778) 1.778 18.400 ( 0.000 0.000 -2.275) 2.275 18.751 ( 0.000 0.000 -16.840) 16.840 19.338 ( 0.000 0.000 -2.200) 2.200 20.275 ( 0.000 0.000 2.858) 2.858 20.773 ( 0.000 0.000 21.452) 21.452 21.221 ( 0.000 0.000 -5.595) 5.595 21.305 ( 0.000 0.000 0.331) 0.331 21.593 ( 0.000 0.000 5.655) 5.655 22.631 ( 0.000 0.000 -8.177) 8.177 23.913 ( 0.000 0.000 0.464) 0.464 24.098 ( 0.000 0.000 -8.770) 8.770 24.211 ( 0.000 0.000 4.431) 4.431 24.809 ( 0.000 0.000 2.880) 2.880 24.893 ( 0.000 0.000 5.799) 5.799 25.100 ( 0.000 0.000 7.186) 7.186 26.284 ( 0.000 0.000 -17.500) 17.500 26.596 ( 0.000 0.000 -5.929) 5.929 26.724 ( 0.000 0.000 2.923) 2.923 ======================= Grid point 28 (12/60) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 29.421 0.000 15.394) 33.205 1.164 ( 27.151 0.000 26.757) 38.119 1.793 ( -26.743 0.000 0.922) 26.758 1.860 ( -30.368 0.000 17.892) 35.247 2.110 ( 37.457 0.000 36.314) 52.171 3.007 ( -22.201 0.000 5.958) 22.987 3.319 ( 22.875 0.000 12.223) 25.936 3.808 ( -18.842 0.000 9.785) 21.232 3.870 ( 2.934 0.000 14.039) 14.343 4.135 ( -11.517 0.000 0.705) 11.539 4.436 ( 4.405 0.000 7.083) 8.341 4.463 ( 1.714 0.000 9.000) 9.161 4.698 ( 2.940 0.000 2.352) 3.765 4.833 ( -8.992 0.000 8.648) 12.476 5.200 ( 3.757 0.000 -20.783) 21.119 5.351 ( -7.405 0.000 -21.476) 22.717 5.674 ( 14.084 0.000 -5.989) 15.305 5.771 ( 5.042 0.000 1.581) 5.284 5.833 ( 0.176 0.000 -1.279) 1.291 5.975 ( -10.483 0.000 -10.866) 15.099 6.085 ( 0.878 0.000 2.789) 2.924 6.138 ( 1.216 0.000 -6.088) 6.209 6.170 ( -6.725 0.000 0.903) 6.785 6.199 ( -3.923 0.000 -6.280) 7.404 6.631 ( 4.593 0.000 1.464) 4.821 6.670 ( 4.312 0.000 9.751) 10.662 6.685 ( 4.397 0.000 -3.459) 5.594 6.772 ( 4.660 0.000 -15.221) 15.918 6.859 ( 1.851 0.000 -10.500) 10.662 6.865 ( -3.969 0.000 -0.454) 3.995 7.006 ( 2.714 0.000 -11.850) 12.157 7.178 ( -7.350 0.000 -6.761) 9.987 7.207 ( 4.074 0.000 10.041) 10.836 7.319 ( -2.828 0.000 2.374) 3.693 7.697 ( 3.319 0.000 2.400) 4.096 7.699 ( 1.755 0.000 4.431) 4.766 7.765 ( -0.065 0.000 1.843) 1.845 7.863 ( 1.226 0.000 11.346) 11.412 7.873 ( -9.179 0.000 4.088) 10.048 8.007 ( -5.106 0.000 11.804) 12.861 8.146 ( 4.683 0.000 4.690) 6.628 8.272 ( -3.143 0.000 3.448) 4.665 8.407 ( 9.231 0.000 6.589) 11.341 8.540 ( -2.393 0.000 -5.790) 6.265 8.608 ( 4.398 0.000 16.188) 16.774 8.745 ( -6.486 0.000 13.231) 14.735 8.844 ( 4.092 0.000 1.958) 4.537 8.920 ( -3.296 0.000 19.921) 20.192 8.980 ( -7.206 0.000 -3.955) 8.220 9.097 ( -15.249 0.000 17.764) 23.412 9.346 ( 3.258 0.000 6.681) 7.433 9.521 ( -10.748 0.000 7.569) 13.145 9.681 ( 1.196 0.000 -4.695) 4.845 9.696 ( -0.180 0.000 -4.534) 4.537 10.075 ( 8.211 0.000 -5.705) 9.998 10.226 ( -3.734 0.000 -4.280) 5.680 10.310 ( 12.361 0.000 11.194) 16.676 10.556 ( -4.566 0.000 11.457) 12.333 10.720 ( 11.576 0.000 0.065) 11.576 10.818 ( 3.119 0.000 11.141) 11.569 10.978 ( -8.574 0.000 -5.199) 10.027 11.109 ( -13.261 0.000 -5.405) 14.320 11.575 ( 6.105 0.000 -10.149) 11.844 11.758 ( -8.889 0.000 -8.240) 12.120 11.793 ( 5.761 0.000 -13.329) 14.521 11.852 ( 1.034 0.000 -12.359) 12.402 12.149 ( 2.803 0.000 2.259) 3.600 12.191 ( -0.893 0.000 5.318) 5.392 12.465 ( 20.438 0.000 -5.965) 21.291 12.852 ( 4.158 0.000 -5.118) 6.594 12.924 ( -18.218 0.000 -0.345) 18.221 12.957 ( 1.508 0.000 -1.393) 2.053 12.987 ( -0.450 0.000 -4.774) 4.795 13.097 ( -3.382 0.000 0.470) 3.415 13.240 ( 3.067 0.000 6.763) 7.426 13.355 ( -6.383 0.000 8.038) 10.264 13.436 ( 2.293 0.000 -20.234) 20.363 13.465 ( -0.512 0.000 -15.070) 15.079 14.533 ( 0.932 0.000 -3.508) 3.630 14.567 ( -1.382 0.000 1.398) 1.966 14.621 ( 2.591 0.000 2.936) 3.915 14.675 ( -1.887 0.000 -7.584) 7.815 15.323 ( 13.963 0.000 -7.713) 15.951 15.662 ( -12.643 0.000 -11.131) 16.844 16.481 ( 9.118 0.000 52.686) 53.469 16.822 ( -0.169 0.000 -11.707) 11.708 16.830 ( -0.713 0.000 -8.586) 8.616 16.845 ( -21.821 0.000 41.325) 46.732 18.081 ( 9.214 0.000 -2.120) 9.455 18.151 ( 10.393 0.000 -6.430) 12.221 18.299 ( -7.954 0.000 -2.592) 8.366 18.553 ( -20.981 0.000 -6.741) 22.038 19.292 ( -1.010 0.000 5.395) 5.489 19.504 ( -29.254 0.000 32.554) 43.767 20.375 ( 8.042 0.000 5.868) 9.955 20.608 ( -10.691 0.000 13.173) 16.965 21.357 ( 8.354 0.000 1.115) 8.428 21.527 ( -5.487 0.000 4.785) 7.280 23.849 ( 20.516 0.000 -27.095) 33.986 23.979 ( 5.256 0.000 1.314) 5.418 24.060 ( -3.567 0.000 -11.425) 11.969 24.125 ( -6.247 0.000 3.230) 7.033 24.957 ( 4.531 0.000 6.365) 7.813 25.058 ( -3.425 0.000 6.992) 7.786 25.292 ( 29.757 0.000 -19.605) 35.635 25.897 ( -23.059 0.000 -14.368) 27.169 26.669 ( 2.489 0.000 -0.359) 2.515 26.709 ( -1.164 0.000 2.587) 2.837 ======================= Grid point 30 (13/60) ======================= q-point: ( 0.00 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 0.000 24.965 27.052) 36.811 1.055 ( 0.000 20.886 33.567) 39.534 1.695 ( 0.000 38.559 39.222) 55.001 2.301 ( 0.000 -3.140 11.393) 11.817 2.548 ( 0.000 9.534 13.258) 16.330 2.663 ( 0.000 -10.548 3.579) 11.139 3.212 ( 0.000 11.674 -7.890) 14.090 4.105 ( 0.000 4.442 13.116) 13.848 4.148 ( 0.000 -0.980 6.668) 6.739 4.194 ( 0.000 -2.311 -0.119) 2.314 4.371 ( 0.000 -4.993 8.556) 9.907 4.374 ( 0.000 5.012 9.369) 10.625 4.785 ( 0.000 9.700 -1.580) 9.828 5.029 ( 0.000 3.920 10.603) 11.304 5.173 ( 0.000 -1.251 -21.148) 21.185 5.404 ( 0.000 -5.388 -23.194) 23.812 5.531 ( 0.000 7.635 -0.944) 7.694 5.766 ( 0.000 6.245 2.386) 6.686 5.878 ( 0.000 -6.744 -3.572) 7.631 5.899 ( 0.000 5.819 -3.163) 6.623 6.145 ( 0.000 1.286 -3.926) 4.131 6.183 ( 0.000 -0.387 2.506) 2.536 6.283 ( 0.000 -2.412 -3.558) 4.299 6.341 ( 0.000 6.835 -6.764) 9.617 6.465 ( 0.000 1.249 -6.861) 6.974 6.636 ( 0.000 -1.347 7.472) 7.592 6.673 ( 0.000 -0.443 -3.721) 3.747 6.722 ( 0.000 3.520 -7.893) 8.643 6.820 ( 0.000 6.852 5.912) 9.050 6.929 ( 0.000 5.745 -13.877) 15.019 7.044 ( 0.000 1.095 10.287) 10.345 7.166 ( 0.000 -6.243 -5.560) 8.360 7.317 ( 0.000 -1.691 -9.959) 10.101 7.344 ( 0.000 13.933 -3.134) 14.281 7.512 ( 0.000 -12.862 8.847) 15.611 7.686 ( 0.000 1.573 0.124) 1.578 7.760 ( 0.000 2.692 6.008) 6.584 7.869 ( 0.000 -6.457 6.645) 9.266 7.896 ( 0.000 -12.349 17.245) 21.210 8.003 ( 0.000 -9.161 10.272) 13.764 8.069 ( 0.000 3.049 12.282) 12.655 8.203 ( 0.000 -0.429 8.965) 8.975 8.232 ( 0.000 0.409 3.750) 3.772 8.545 ( 0.000 -1.301 -13.047) 13.112 8.575 ( 0.000 1.609 10.367) 10.491 8.711 ( 0.000 -12.239 3.383) 12.698 8.771 ( 0.000 9.023 13.982) 16.640 9.055 ( 0.000 -1.992 -2.335) 3.069 9.192 ( 0.000 4.104 6.084) 7.339 9.325 ( 0.000 -0.557 0.298) 0.632 9.580 ( 0.000 -1.553 4.590) 4.845 9.609 ( 0.000 2.253 6.562) 6.938 9.761 ( 0.000 13.334 0.023) 13.334 9.918 ( 0.000 -1.152 -3.449) 3.636 9.947 ( 0.000 15.163 -1.494) 15.236 10.060 ( 0.000 -7.948 3.920) 8.862 10.307 ( 0.000 10.541 -7.804) 13.115 10.495 ( 0.000 -0.355 4.542) 4.556 10.560 ( 0.000 -0.174 5.111) 5.114 10.995 ( 0.000 -7.103 17.414) 18.807 11.110 ( 0.000 2.553 -5.688) 6.235 11.263 ( 0.000 -1.958 -6.714) 6.993 11.455 ( 0.000 -4.945 -15.148) 15.935 11.479 ( 0.000 -0.449 -1.055) 1.146 11.656 ( 0.000 -7.753 -5.778) 9.670 11.894 ( 0.000 -1.642 -6.800) 6.996 12.027 ( 0.000 -5.647 4.296) 7.095 12.151 ( 0.000 -4.796 6.371) 7.974 12.220 ( 0.000 8.255 -4.140) 9.235 12.490 ( 0.000 -17.369 1.288) 17.417 12.826 ( 0.000 -5.187 0.720) 5.237 12.981 ( 0.000 -8.186 7.583) 11.159 13.085 ( 0.000 -4.084 0.967) 4.197 13.116 ( 0.000 -5.501 4.518) 7.119 13.302 ( 0.000 -3.055 -14.285) 14.608 13.410 ( 0.000 -5.441 -8.258) 9.889 13.442 ( 0.000 23.926 -7.091) 24.954 14.355 ( 0.000 41.980 -43.568) 60.502 14.494 ( 0.000 -6.620 7.277) 9.837 14.575 ( 0.000 2.845 -2.256) 3.631 14.580 ( 0.000 -0.217 5.122) 5.127 14.733 ( 0.000 3.861 -19.361) 19.743 15.177 ( 0.000 4.011 -7.867) 8.831 15.812 ( 0.000 -1.183 -15.094) 15.140 16.410 ( 0.000 2.315 45.435) 45.494 16.778 ( 0.000 -5.676 -2.515) 6.208 16.808 ( 0.000 -2.029 -11.873) 12.045 17.297 ( 0.000 8.714 -10.687) 13.790 17.626 ( 0.000 -21.039 7.989) 22.505 18.160 ( 0.000 5.658 4.038) 6.951 18.558 ( 0.000 11.841 -3.014) 12.218 18.782 ( 0.000 3.169 -16.832) 17.128 19.299 ( 0.000 -4.317 -0.466) 4.342 20.184 ( 0.000 -8.795 3.201) 9.359 20.421 ( 0.000 -49.523 50.754) 70.912 20.662 ( 0.000 -10.283 20.452) 22.891 21.370 ( 0.000 5.553 1.921) 5.876 21.553 ( 0.000 -0.358 3.048) 3.069 22.204 ( 0.000 -9.517 5.162) 10.827 23.458 ( 0.000 -25.960 -0.587) 25.966 24.403 ( 0.000 -9.015 -0.305) 9.020 24.568 ( 0.000 12.468 -1.010) 12.508 24.847 ( 0.000 3.775 -13.160) 13.691 25.067 ( 0.000 14.437 -12.035) 18.795 25.246 ( 0.000 18.918 2.253) 19.051 26.115 ( 0.000 -12.070 -5.737) 13.364 26.584 ( 0.000 -1.351 -5.815) 5.969 26.664 ( 0.000 -4.391 3.952) 5.908 ======================= Grid point 31 (14/60) ======================= q-point: ( 0.33 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 16.695 13.248 25.159) 32.972 1.376 ( 25.144 19.557 17.805) 36.493 1.721 ( -31.256 -0.908 11.320) 33.255 2.022 ( -22.759 12.828 10.069) 27.998 2.387 ( 31.030 24.131 28.315) 48.445 2.969 ( -0.143 -2.907 5.076) 5.852 3.465 ( 9.520 12.051 7.482) 17.084 3.797 ( -16.254 0.157 7.901) 18.073 3.902 ( -1.954 2.818 14.946) 15.335 4.141 ( -11.759 0.906 4.920) 12.778 4.419 ( 3.543 -2.006 4.856) 6.337 4.448 ( 2.375 -0.862 6.078) 6.582 4.817 ( 2.682 9.737 1.079) 10.157 4.921 ( -6.265 7.715 8.026) 12.774 5.200 ( 4.013 -1.246 -21.693) 22.096 5.344 ( -5.701 -1.982 -22.649) 23.439 5.638 ( 5.527 -2.866 -4.317) 7.576 5.731 ( -3.576 -4.665 1.758) 6.136 5.849 ( 3.355 2.726 -3.833) 5.777 5.954 ( -2.748 5.803 -3.121) 7.139 6.132 ( 2.420 1.073 -4.404) 5.138 6.194 ( 1.987 5.596 -5.732) 8.254 6.233 ( -3.058 6.994 -1.607) 7.801 6.279 ( -4.228 6.329 -3.483) 8.370 6.570 ( 6.762 -6.729 -3.556) 10.180 6.655 ( 0.583 -1.906 7.110) 7.384 6.763 ( 2.278 4.837 -5.109) 7.395 6.805 ( 0.181 -0.720 -4.024) 4.092 6.832 ( 5.262 5.187 -4.727) 8.772 6.926 ( -0.248 5.423 -9.466) 10.912 7.068 ( 3.006 3.241 7.466) 8.676 7.152 ( -2.375 0.748 -7.018) 7.446 7.317 ( 1.298 5.778 -4.043) 7.171 7.353 ( -1.965 4.093 4.330) 6.274 7.486 ( -1.102 -11.805 6.932) 13.734 7.600 ( -3.791 -9.371 4.960) 11.260 7.682 ( -4.902 -6.802 3.719) 9.172 7.740 ( -2.593 -6.341 -1.159) 6.948 7.951 ( 5.253 -2.243 9.665) 11.226 8.037 ( -0.012 4.830 10.497) 11.555 8.184 ( 4.223 1.038 9.177) 10.155 8.263 ( 3.460 -2.581 8.808) 9.809 8.382 ( 5.854 -0.749 4.105) 7.189 8.443 ( -2.364 -7.708 2.311) 8.387 8.558 ( -2.328 0.860 2.976) 3.875 8.626 ( -5.735 -7.138 9.139) 12.937 8.810 ( 3.087 7.375 12.518) 14.853 8.915 ( -6.826 3.387 9.253) 11.987 9.190 ( -0.177 7.311 3.575) 8.140 9.264 ( -4.848 1.681 2.963) 5.925 9.565 ( 0.155 13.237 2.225) 13.423 9.586 ( -1.366 7.989 4.957) 9.500 9.664 ( -2.729 1.771 -4.526) 5.573 9.748 ( -7.569 5.609 -2.550) 9.760 10.066 ( 4.367 -3.208 4.995) 7.370 10.111 ( 1.861 -3.408 5.410) 6.660 10.418 ( 5.101 5.407 -4.075) 8.477 10.536 ( -1.356 -0.867 2.640) 3.092 10.739 ( 12.415 1.606 1.514) 12.610 10.838 ( 4.388 3.745 8.306) 10.113 11.041 ( -8.167 4.977 -1.811) 9.734 11.085 ( -12.910 -1.853 -5.931) 14.327 11.513 ( 4.611 -6.039 -11.291) 13.610 11.617 ( -2.638 -8.133 -8.493) 12.051 11.786 ( 8.185 -6.918 -6.255) 12.409 11.868 ( -1.268 1.400 -7.908) 8.131 12.066 ( 5.466 -12.404 2.820) 13.846 12.164 ( -1.144 -4.569 2.004) 5.119 12.246 ( 4.574 -0.118 1.138) 4.715 12.417 ( -6.526 -16.352 1.849) 17.703 12.897 ( 4.824 -3.552 0.343) 6.000 12.988 ( -0.460 -4.517 2.712) 5.289 13.036 ( -1.707 -3.999 2.456) 4.994 13.083 ( -2.637 -5.634 4.301) 7.562 13.324 ( 1.580 -3.342 -11.499) 12.079 13.365 ( -1.887 -1.491 -7.631) 8.001 13.608 ( 12.441 23.859 -11.768) 29.368 14.019 ( -21.083 34.880 -24.113) 47.355 14.560 ( 1.577 2.927 -5.175) 6.151 14.575 ( -0.080 -0.062 3.467) 3.468 14.594 ( 2.989 -1.295 -0.311) 3.272 14.684 ( -3.432 1.848 -12.774) 13.355 15.351 ( 12.633 2.900 -9.334) 15.973 15.663 ( -11.829 0.277 -11.949) 16.816 16.503 ( 7.441 1.057 42.679) 43.336 16.702 ( -6.923 -6.701 11.640) 15.110 16.820 ( 1.638 -0.210 -7.291) 7.475 16.967 ( -13.930 5.460 17.503) 23.027 17.901 ( 14.182 -10.064 -9.064) 19.611 18.121 ( -3.737 -0.764 -3.469) 5.156 18.519 ( -0.858 13.766 -0.803) 13.816 18.675 ( -12.526 10.577 -6.468) 17.624 19.267 ( 0.900 -2.389 6.619) 7.095 19.494 ( -24.041 -0.735 26.364) 35.687 20.302 ( 7.410 -7.240 7.489) 12.783 20.518 ( -9.782 -8.544 13.888) 19.015 21.371 ( 6.747 1.615 1.748) 7.154 21.525 ( -5.096 -0.081 4.675) 6.916 23.108 ( 28.301 -36.765 -3.634) 46.538 23.421 ( -4.403 -28.918 -1.123) 29.272 24.493 ( 5.608 3.299 -3.737) 7.503 24.594 ( -0.785 8.519 -0.802) 8.593 24.790 ( 0.936 4.110 -8.596) 9.574 24.927 ( -7.088 -2.396 1.887) 7.716 25.528 ( 15.956 13.160 -11.849) 23.837 25.893 ( -14.692 -0.845 -8.771) 17.132 26.631 ( 2.107 -3.362 -1.612) 4.282 26.660 ( -0.497 -4.093 2.301) 4.722 ======================= Grid point 33 (15/60) ======================= q-point: ( 0.00 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 0.000 28.895 23.828) 37.453 1.606 ( 0.000 31.430 13.881) 34.359 2.322 ( 0.000 6.989 12.591) 14.400 2.435 ( 0.000 30.638 12.034) 32.917 2.562 ( 0.000 0.600 7.273) 7.298 2.834 ( 0.000 23.129 20.056) 30.613 3.412 ( 0.000 9.738 -3.968) 10.516 4.079 ( 0.000 -6.123 -4.695) 7.716 4.108 ( 0.000 -3.746 3.434) 5.082 4.224 ( 0.000 0.757 6.635) 6.678 4.270 ( 0.000 -4.914 10.546) 11.634 4.427 ( 0.000 0.296 10.076) 10.080 4.942 ( 0.000 5.593 -3.015) 6.354 5.045 ( 0.000 -10.663 -11.811) 15.912 5.197 ( 0.000 13.151 4.221) 13.812 5.362 ( 0.000 2.668 -21.979) 22.140 5.637 ( 0.000 0.099 -5.561) 5.561 5.855 ( 0.000 3.444 -1.517) 3.763 5.906 ( 0.000 8.239 0.603) 8.261 5.950 ( 0.000 2.336 -5.029) 5.546 6.203 ( 0.000 5.484 0.461) 5.503 6.234 ( 0.000 5.052 3.078) 5.916 6.346 ( 0.000 5.501 -0.991) 5.590 6.382 ( 0.000 -5.929 -1.832) 6.206 6.468 ( 0.000 3.357 -12.237) 12.689 6.543 ( 0.000 -7.814 -6.877) 10.409 6.727 ( 0.000 8.644 8.776) 12.319 6.888 ( 0.000 -5.172 -0.339) 5.183 6.897 ( 0.000 8.469 -7.233) 11.137 7.004 ( 0.000 9.610 0.141) 9.611 7.108 ( 0.000 1.799 1.264) 2.199 7.171 ( 0.000 7.715 -2.993) 8.276 7.286 ( 0.000 -0.419 -5.648) 5.664 7.355 ( 0.000 -3.492 7.089) 7.903 7.588 ( 0.000 -4.825 -6.690) 8.248 7.588 ( 0.000 -14.574 15.918) 21.582 7.627 ( 0.000 0.991 -4.258) 4.371 7.704 ( 0.000 2.686 14.387) 14.636 7.870 ( 0.000 1.037 2.505) 2.712 8.025 ( 0.000 7.843 12.960) 15.148 8.116 ( 0.000 0.967 8.802) 8.855 8.204 ( 0.000 -3.939 0.910) 4.042 8.237 ( 0.000 4.073 10.687) 11.436 8.511 ( 0.000 -3.036 -10.153) 10.598 8.567 ( 0.000 0.432 1.315) 1.384 8.643 ( 0.000 4.760 9.022) 10.200 8.897 ( 0.000 -1.107 -0.671) 1.295 9.093 ( 0.000 9.995 10.658) 14.612 9.145 ( 0.000 -7.467 6.584) 9.955 9.373 ( 0.000 5.455 0.010) 5.455 9.543 ( 0.000 -2.877 3.043) 4.188 9.724 ( 0.000 8.518 8.916) 12.331 9.743 ( 0.000 -11.465 15.405) 19.203 9.920 ( 0.000 -3.673 1.298) 3.896 9.998 ( 0.000 6.979 -10.517) 12.621 10.230 ( 0.000 11.691 -4.718) 12.608 10.473 ( 0.000 1.435 -6.807) 6.956 10.483 ( 0.000 -0.402 1.792) 1.837 10.622 ( 0.000 9.281 0.440) 9.291 11.009 ( 0.000 6.516 8.382) 10.617 11.115 ( 0.000 -3.274 -10.097) 10.614 11.271 ( 0.000 3.939 -1.908) 4.377 11.330 ( 0.000 -6.501 -15.417) 16.731 11.467 ( 0.000 -0.788 -0.484) 0.924 11.539 ( 0.000 -5.039 -1.281) 5.199 11.840 ( 0.000 -4.107 -5.670) 7.001 11.891 ( 0.000 -8.586 5.878) 10.406 12.017 ( 0.000 -8.697 3.834) 9.505 12.253 ( 0.000 -1.055 -4.206) 4.336 12.437 ( 0.000 6.486 -2.178) 6.842 12.678 ( 0.000 -9.844 1.611) 9.975 12.819 ( 0.000 -7.859 6.968) 10.503 12.967 ( 0.000 -8.384 5.333) 9.937 12.968 ( 0.000 -7.913 1.039) 7.981 13.214 ( 0.000 -5.727 -8.610) 10.341 13.286 ( 0.000 -6.775 -4.801) 8.304 13.851 ( 0.000 15.859 -4.763) 16.558 14.323 ( 0.000 -10.079 6.510) 11.998 14.584 ( 0.000 0.417 1.491) 1.549 14.609 ( 0.000 1.949 -2.140) 2.894 14.818 ( 0.000 9.766 -19.228) 21.566 14.979 ( 0.000 19.370 -45.658) 49.597 15.274 ( 0.000 5.597 -10.767) 12.135 15.769 ( 0.000 -3.354 -19.189) 19.480 16.447 ( 0.000 1.335 35.901) 35.926 16.656 ( 0.000 -6.155 4.733) 7.764 16.752 ( 0.000 -3.725 -8.086) 8.903 17.261 ( 0.000 -16.311 12.745) 20.700 17.506 ( 0.000 12.277 -12.475) 17.502 18.262 ( 0.000 4.104 0.467) 4.131 18.790 ( 0.000 11.778 2.733) 12.091 18.870 ( 0.000 5.632 -16.737) 17.659 19.193 ( 0.000 -4.517 7.341) 8.620 19.865 ( 0.000 -13.168 31.374) 34.025 19.972 ( 0.000 -12.071 4.302) 12.815 20.413 ( 0.000 -14.825 20.091) 24.968 21.481 ( 0.000 5.413 3.141) 6.259 21.562 ( 0.000 0.942 2.502) 2.674 22.131 ( 0.000 -0.727 0.818) 1.094 23.008 ( 0.000 -20.345 0.966) 20.367 24.114 ( 0.000 -13.565 5.032) 14.469 24.556 ( 0.000 -19.975 3.009) 20.200 24.891 ( 0.000 13.966 -5.680) 15.077 25.366 ( 0.000 8.075 -19.874) 21.452 25.572 ( 0.000 14.388 0.253) 14.390 25.933 ( 0.000 -6.002 -0.075) 6.003 26.542 ( 0.000 -2.888 -5.564) 6.269 26.577 ( 0.000 -4.406 1.163) 4.556 ======================= Grid point 34 (16/60) ======================= q-point: ( 0.33 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 4.267 29.083 22.034) 36.736 1.806 ( 1.606 21.097 12.919) 24.790 1.890 ( -5.768 20.847 13.367) 25.427 2.319 ( -19.085 17.185 7.317) 26.704 2.880 ( 13.910 20.707 15.088) 29.153 2.938 ( 12.279 3.002 5.309) 13.710 3.676 ( 11.641 8.876 2.045) 14.781 3.825 ( -10.744 2.502 6.665) 12.889 3.975 ( -4.423 3.216 8.636) 10.222 4.190 ( -12.817 3.963 9.763) 16.592 4.343 ( 4.155 -5.788 5.258) 8.855 4.393 ( 0.905 -5.574 6.438) 8.564 4.965 ( 2.496 1.633 -6.415) 7.075 5.042 ( -2.184 -2.311 -7.654) 8.288 5.184 ( 3.079 8.560 -3.856) 9.881 5.324 ( -5.301 4.378 -11.878) 13.724 5.621 ( 0.949 0.726 -5.860) 5.981 5.709 ( -6.017 1.569 -7.772) 9.953 5.940 ( 4.686 6.148 -1.081) 7.805 6.081 ( -3.964 5.624 -1.410) 7.023 6.203 ( 6.619 4.179 -8.289) 11.400 6.302 ( 1.547 4.388 -3.509) 5.827 6.345 ( 0.555 3.148 3.124) 4.469 6.414 ( -3.279 0.651 -6.117) 6.971 6.440 ( 6.203 0.466 -2.366) 6.656 6.605 ( -1.938 -3.222 -1.454) 4.031 6.698 ( 2.729 -3.453 -4.045) 5.978 6.835 ( -4.224 -1.888 -9.530) 10.593 7.000 ( 4.236 6.665 3.918) 8.816 7.049 ( -0.846 8.669 0.551) 8.727 7.098 ( 7.015 3.731 3.441) 8.658 7.261 ( 0.445 7.987 0.291) 8.004 7.281 ( 0.615 -3.191 9.260) 9.813 7.388 ( 2.103 0.853 0.889) 2.437 7.463 ( -6.989 -0.721 5.070) 8.665 7.512 ( -2.992 -7.497 -0.602) 8.094 7.562 ( -3.088 1.035 -6.354) 7.140 7.608 ( -4.895 -1.712 -2.106) 5.597 7.926 ( 4.367 0.943 8.450) 9.558 8.055 ( -4.554 -2.699 10.164) 11.460 8.171 ( 4.134 -1.692 8.590) 9.682 8.200 ( 5.523 -2.445 9.943) 11.634 8.299 ( 0.458 -5.184 4.154) 6.659 8.413 ( -6.617 -0.114 4.712) 8.124 8.585 ( 4.083 5.773 4.506) 8.385 8.678 ( -1.076 8.087 1.702) 8.334 8.918 ( 1.466 -0.159 6.661) 6.822 8.989 ( -4.571 2.397 9.617) 10.915 9.239 ( 4.142 2.695 6.760) 8.373 9.327 ( -3.108 6.415 1.036) 7.203 9.559 ( 4.384 -4.154 -1.851) 6.317 9.674 ( -3.134 2.259 -2.890) 4.825 9.802 ( -1.147 -1.225 3.642) 4.010 9.865 ( -5.122 3.128 -1.411) 6.166 10.005 ( 7.462 4.960 11.060) 14.234 10.204 ( -6.372 9.444 4.794) 12.360 10.464 ( 3.283 -1.644 -5.754) 6.825 10.520 ( 1.283 -1.707 -6.525) 6.865 10.805 ( 10.635 5.651 -0.167) 12.044 10.965 ( 1.275 8.405 0.274) 8.505 11.050 ( -5.849 -0.071 -5.598) 8.096 11.152 ( -9.094 4.858 -1.517) 10.421 11.375 ( 3.714 -6.956 -8.266) 11.424 11.476 ( -4.040 -6.204 -2.514) 7.819 11.640 ( 9.457 -6.572 -2.669) 11.821 11.820 ( -5.204 -6.275 -1.184) 8.238 11.881 ( 3.640 -6.617 0.234) 7.555 11.985 ( -3.467 -9.743 2.048) 10.543 12.275 ( 2.046 1.264 -2.757) 3.659 12.351 ( -4.447 2.563 -1.203) 5.272 12.794 ( 6.561 -7.379 0.837) 9.910 12.860 ( 3.111 -6.378 4.954) 8.655 12.919 ( -3.539 -8.954 2.932) 10.065 12.941 ( -2.740 -6.437 3.507) 7.825 13.232 ( 1.392 -5.873 -7.139) 9.348 13.268 ( -1.430 -6.390 -5.212) 8.369 14.013 ( 13.194 13.409 -6.945) 20.053 14.314 ( -5.945 -2.715 -0.043) 6.536 14.569 ( -0.696 0.231 0.542) 0.912 14.593 ( -1.677 1.055 0.340) 2.010 14.761 ( -3.225 13.809 -24.926) 28.678 14.803 ( -6.377 13.318 -28.126) 31.767 15.430 ( 10.388 4.965 -13.175) 17.497 15.678 ( -8.625 1.278 -16.175) 18.375 16.476 ( 2.889 -4.102 24.194) 24.709 16.580 ( -5.308 -5.793 9.956) 12.683 16.813 ( 5.526 -0.954 3.822) 6.786 17.008 ( -11.292 -1.872 15.908) 19.598 17.806 ( 15.669 0.748 -12.959) 20.347 18.127 ( -10.800 1.264 -7.371) 13.137 18.782 ( 1.963 12.941 3.450) 13.536 18.880 ( -3.587 9.602 -6.423) 12.096 19.220 ( 5.354 -1.616 7.902) 9.681 19.482 ( -17.271 -0.567 15.152) 22.982 20.122 ( 7.544 -10.334 10.035) 16.261 20.313 ( -7.781 -11.933 15.274) 20.886 21.423 ( 2.614 3.685 2.369) 5.101 21.530 ( -4.345 0.675 4.342) 6.179 22.598 ( 22.873 -17.331 0.682) 28.706 22.936 ( -7.153 -20.980 0.925) 22.185 24.223 ( 8.643 -15.464 4.514) 18.281 24.444 ( -8.562 -18.172 3.558) 20.401 24.970 ( 6.277 12.448 -6.950) 15.578 25.171 ( -10.509 11.432 -10.732) 18.876 25.722 ( 7.613 7.524 -5.470) 12.021 25.871 ( -4.938 -0.735 -2.893) 5.770 26.560 ( 1.094 -3.770 -3.404) 5.195 26.576 ( -0.229 -4.275 -0.218) 4.287 ======================= Grid point 36 (17/60) ======================= q-point: ( 0.00 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 0.000 28.306 17.156) 33.099 2.186 ( 0.000 27.311 8.420) 28.580 2.578 ( 0.000 19.076 10.696) 21.870 2.669 ( 0.000 9.221 8.773) 12.728 2.811 ( 0.000 12.056 4.239) 12.779 3.384 ( 0.000 25.361 11.562) 27.872 3.582 ( 0.000 5.389 -0.229) 5.393 3.910 ( 0.000 -10.161 -3.023) 10.601 3.979 ( 0.000 -9.430 3.357) 10.010 4.119 ( 0.000 -10.336 4.702) 11.356 4.231 ( 0.000 2.245 10.222) 10.465 4.350 ( 0.000 -8.573 -8.456) 12.042 4.948 ( 0.000 3.367 8.832) 9.452 5.036 ( 0.000 5.090 -1.608) 5.338 5.404 ( 0.000 1.668 -5.208) 5.469 5.443 ( 0.000 3.528 -21.007) 21.301 5.610 ( 0.000 5.203 -5.027) 7.234 5.921 ( 0.000 0.465 -2.442) 2.486 6.033 ( 0.000 5.543 6.270) 8.369 6.094 ( 0.000 8.201 -9.050) 12.213 6.258 ( 0.000 -3.472 -2.385) 4.212 6.269 ( 0.000 -5.026 1.853) 5.357 6.304 ( 0.000 3.101 9.120) 9.633 6.380 ( 0.000 0.647 -4.650) 4.695 6.467 ( 0.000 3.308 -8.250) 8.889 6.549 ( 0.000 3.195 -6.788) 7.502 6.780 ( 0.000 -0.391 -3.163) 3.187 6.948 ( 0.000 0.250 -11.073) 11.076 6.949 ( 0.000 4.650 8.208) 9.434 7.076 ( 0.000 -3.947 5.157) 6.494 7.180 ( 0.000 -8.029 7.280) 10.838 7.213 ( 0.000 3.030 -0.236) 3.039 7.357 ( 0.000 10.266 2.840) 10.651 7.375 ( 0.000 -5.501 -4.963) 7.409 7.378 ( 0.000 1.123 4.686) 4.819 7.494 ( 0.000 6.959 0.737) 6.998 7.582 ( 0.000 -1.030 5.336) 5.435 7.864 ( 0.000 -0.846 5.362) 5.428 7.905 ( 0.000 7.893 -5.613) 9.685 8.071 ( 0.000 -4.345 4.507) 6.261 8.138 ( 0.000 -2.398 3.804) 4.497 8.169 ( 0.000 5.200 13.587) 14.548 8.360 ( 0.000 7.418 9.078) 11.723 8.475 ( 0.000 -0.827 -8.341) 8.382 8.656 ( 0.000 6.319 1.805) 6.572 8.707 ( 0.000 -0.555 13.391) 13.402 8.886 ( 0.000 5.289 -5.440) 7.587 8.993 ( 0.000 -6.112 4.371) 7.514 9.313 ( 0.000 6.766 15.751) 17.143 9.423 ( 0.000 -5.359 5.469) 7.657 9.535 ( 0.000 -4.632 7.132) 8.504 9.542 ( 0.000 7.666 -1.599) 7.831 9.866 ( 0.000 -1.856 0.398) 1.898 9.886 ( 0.000 6.647 9.384) 11.500 10.102 ( 0.000 2.215 -9.171) 9.435 10.295 ( 0.000 -4.667 -7.191) 8.572 10.461 ( 0.000 -0.038 -0.463) 0.464 10.519 ( 0.000 2.567 2.525) 3.601 10.810 ( 0.000 8.204 -4.613) 9.412 11.038 ( 0.000 -3.291 -12.354) 12.785 11.160 ( 0.000 6.599 6.171) 9.035 11.256 ( 0.000 0.860 -14.283) 14.309 11.358 ( 0.000 3.372 -2.055) 3.949 11.450 ( 0.000 -0.774 0.848) 1.148 11.462 ( 0.000 -2.066 -0.056) 2.067 11.735 ( 0.000 -6.543 -4.890) 8.168 11.760 ( 0.000 -4.326 3.647) 5.658 11.838 ( 0.000 -8.988 2.793) 9.412 12.256 ( 0.000 -0.819 -3.728) 3.817 12.466 ( 0.000 -11.203 0.823) 11.233 12.518 ( 0.000 2.108 -0.405) 2.146 12.725 ( 0.000 -1.940 7.499) 7.746 12.792 ( 0.000 -9.653 2.703) 10.024 12.858 ( 0.000 -0.788 1.962) 2.114 13.090 ( 0.000 -7.160 -4.218) 8.310 13.156 ( 0.000 -6.607 -1.012) 6.684 14.028 ( 0.000 3.180 0.345) 3.198 14.138 ( 0.000 -8.180 4.939) 9.556 14.593 ( 0.000 0.554 -1.241) 1.359 14.631 ( 0.000 0.330 -2.372) 2.394 15.040 ( 0.000 12.928 -24.908) 28.063 15.270 ( 0.000 11.230 -36.665) 38.346 15.376 ( 0.000 4.423 -15.295) 15.922 15.680 ( 0.000 -5.897 -24.877) 25.566 16.467 ( 0.000 1.006 27.145) 27.163 16.569 ( 0.000 -2.180 12.556) 12.744 16.668 ( 0.000 -4.705 -1.714) 5.008 16.981 ( 0.000 -12.964 13.232) 18.524 17.755 ( 0.000 12.972 -12.522) 18.030 18.285 ( 0.000 -2.141 -5.125) 5.554 18.966 ( 0.000 4.994 0.435) 5.013 18.984 ( 0.000 5.488 -15.984) 16.900 19.227 ( 0.000 9.446 15.479) 18.133 19.719 ( 0.000 -4.491 13.499) 14.226 19.755 ( 0.000 -9.405 5.697) 10.996 20.108 ( 0.000 -16.216 20.260) 25.951 21.566 ( 0.000 3.196 3.423) 4.683 21.584 ( 0.000 1.186 3.163) 3.378 22.150 ( 0.000 2.704 0.850) 2.835 22.666 ( 0.000 -15.218 1.923) 15.339 23.915 ( 0.000 -6.766 5.320) 8.607 24.192 ( 0.000 -16.447 4.092) 16.949 25.097 ( 0.000 7.814 -5.533) 9.574 25.404 ( 0.000 -2.609 -11.306) 11.603 25.795 ( 0.000 8.606 -0.474) 8.619 25.886 ( 0.000 0.528 -0.692) 0.870 26.481 ( 0.000 -3.052 -5.465) 6.260 26.499 ( 0.000 -3.539 -1.685) 3.920 ======================= Grid point 37 (18/60) ======================= q-point: ( 0.33 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 1.930 30.605 15.865) 34.527 2.258 ( -5.927 26.261 11.109) 29.123 2.363 ( 5.842 23.766 9.030) 26.086 2.650 ( -12.411 15.640 5.136) 20.616 2.969 ( 13.078 4.723 7.286) 15.698 3.222 ( -8.465 9.725 5.831) 14.150 3.829 ( 9.322 5.993 1.451) 11.177 3.856 ( -0.838 -1.857 1.341) 2.439 3.957 ( 1.616 -6.103 3.249) 7.100 4.125 ( -2.674 -10.821 8.364) 13.936 4.282 ( -0.311 -3.431 2.933) 4.525 4.289 ( -1.421 -0.696 -2.823) 3.236 4.931 ( 1.549 2.792 4.291) 5.348 5.018 ( -3.451 1.749 -1.869) 4.297 5.383 ( 3.565 6.667 -7.757) 10.831 5.522 ( -6.456 7.928 -5.681) 11.696 5.608 ( 7.889 2.381 -11.052) 13.786 5.780 ( -7.264 5.201 -2.660) 9.321 6.052 ( 0.296 2.716 -0.286) 2.747 6.117 ( -3.727 -3.285 0.703) 5.017 6.198 ( 4.901 -3.291 -4.874) 7.655 6.312 ( -2.629 -3.509 -3.105) 5.373 6.353 ( 2.096 2.226 1.183) 3.278 6.393 ( 0.382 2.391 1.205) 2.705 6.544 ( 6.660 2.088 -10.987) 13.016 6.570 ( 3.800 3.089 -0.372) 4.911 6.695 ( -5.820 0.636 -0.976) 5.936 6.782 ( -7.960 -1.904 -8.135) 11.540 7.067 ( 4.392 2.040 5.594) 7.399 7.165 ( 0.845 2.190 1.470) 2.769 7.232 ( 4.372 -1.517 5.644) 7.299 7.267 ( 4.608 -1.109 4.276) 6.383 7.318 ( -1.063 4.179 1.786) 4.667 7.373 ( 3.075 -1.061 -1.655) 3.650 7.419 ( -0.026 3.378 -0.040) 3.379 7.523 ( -6.772 1.849 8.370) 10.924 7.559 ( 4.928 7.179 -4.882) 9.983 7.724 ( -7.784 7.234 -10.397) 14.867 7.962 ( -0.464 -0.621 6.549) 6.595 7.981 ( -2.799 -2.438 5.073) 6.286 8.117 ( 3.326 -3.409 5.745) 7.462 8.205 ( 2.544 2.001 11.860) 12.294 8.244 ( -5.081 -0.204 6.115) 7.953 8.395 ( -9.324 -1.527 6.804) 11.644 8.727 ( 7.413 3.934 2.467) 8.748 8.830 ( 6.157 -0.939 6.161) 8.761 8.876 ( -2.534 7.532 1.752) 8.137 8.971 ( -5.187 -0.204 6.504) 8.321 9.313 ( 8.783 -0.729 2.455) 9.149 9.496 ( -0.167 9.658 2.755) 10.045 9.537 ( 0.158 3.211 3.158) 4.506 9.613 ( -0.815 -3.793 1.040) 4.016 9.813 ( 0.445 2.215 3.365) 4.053 9.877 ( -3.074 1.603 2.127) 4.067 10.149 ( 6.734 4.575 1.436) 8.267 10.311 ( -1.055 -4.713 -6.326) 7.959 10.410 ( -2.750 0.121 2.250) 3.555 10.446 ( -4.124 -2.914 0.169) 5.052 10.930 ( 9.058 5.551 -3.295) 11.122 11.069 ( 2.155 1.107 -10.102) 10.388 11.132 ( -3.009 7.483 -7.642) 11.111 11.181 ( -8.320 -1.339 -2.186) 8.707 11.302 ( 1.391 -0.050 -1.503) 2.049 11.405 ( -4.998 -0.712 2.685) 5.718 11.552 ( 7.180 -2.322 -3.323) 8.245 11.704 ( -4.989 -4.454 -0.353) 6.697 11.770 ( 2.564 -5.366 -0.666) 5.984 11.820 ( -1.430 -7.247 1.997) 7.652 12.282 ( 1.885 -1.538 -2.977) 3.845 12.349 ( -4.378 -3.233 -1.379) 5.614 12.642 ( 5.107 -6.670 2.346) 8.722 12.723 ( -1.646 -8.793 5.821) 10.673 12.809 ( 2.065 -1.804 1.366) 3.064 12.851 ( -0.935 -0.697 1.842) 2.180 13.110 ( 1.446 -6.452 -2.955) 7.242 13.142 ( -1.085 -6.296 -1.364) 6.533 14.115 ( 6.581 -0.885 -0.650) 6.672 14.199 ( 1.816 -6.204 2.709) 7.009 14.575 ( -0.481 0.399 -1.339) 1.478 14.609 ( -2.100 0.385 -1.015) 2.364 15.003 ( -1.078 12.173 -26.121) 28.838 15.085 ( -8.586 11.849 -30.941) 34.227 15.532 ( 9.595 5.320 -18.566) 21.565 15.708 ( -2.450 1.528 -24.793) 24.960 16.378 ( -1.217 -4.779 18.879) 19.512 16.478 ( -7.287 -4.716 9.326) 12.741 16.773 ( 6.648 -2.927 12.210) 14.207 16.912 ( -4.960 -6.747 15.712) 17.805 17.898 ( 10.347 7.249 -13.582) 18.549 18.153 ( -9.957 0.719 -9.835) 14.014 18.979 ( 2.384 6.710 -0.461) 7.136 19.035 ( -0.137 5.614 -7.530) 9.393 19.248 ( 4.875 5.484 12.666) 14.638 19.465 ( -11.816 -1.237 7.656) 14.134 19.938 ( 7.316 -7.947 11.569) 15.827 20.075 ( -3.752 -12.132 16.457) 20.787 21.503 ( -0.653 4.102 2.510) 4.853 21.550 ( -3.132 1.354 3.805) 5.111 22.373 ( 13.023 -6.980 1.618) 14.864 22.601 ( -5.956 -13.891 1.977) 15.242 23.983 ( 5.359 -9.019 5.024) 11.632 24.122 ( -5.436 -13.940 4.417) 15.601 25.143 ( 4.165 5.879 -6.141) 9.467 25.287 ( -7.445 1.472 -8.346) 11.280 25.843 ( 2.566 5.136 -1.855) 6.033 25.882 ( -0.687 1.682 -1.348) 2.263 26.491 ( 0.715 -3.173 -4.518) 5.567 26.502 ( -0.034 -3.268 -2.826) 4.321 ======================= Grid point 39 (19/60) ======================= q-point: ( 0.00 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( 0.000 15.993 11.301) 19.582 2.607 ( 0.000 13.361 6.501) 14.859 2.858 ( 0.000 8.589 7.581) 11.456 2.943 ( 0.000 1.187 5.717) 5.839 3.006 ( 0.000 23.122 9.500) 24.997 3.433 ( 0.000 -19.104 7.779) 20.627 3.687 ( 0.000 8.839 3.157) 9.386 3.803 ( 0.000 -5.855 5.921) 8.327 3.803 ( 0.000 -2.934 1.169) 3.158 3.878 ( 0.000 -12.615 0.829) 12.642 4.254 ( 0.000 1.673 -16.333) 16.419 4.302 ( 0.000 0.952 -9.620) 9.667 5.099 ( 0.000 8.480 18.091) 19.980 5.146 ( 0.000 4.457 14.252) 14.933 5.376 ( 0.000 1.033 -6.940) 7.016 5.444 ( 0.000 -3.304 -14.398) 14.772 5.744 ( 0.000 3.712 -11.087) 11.692 5.841 ( 0.000 -7.086 -10.430) 12.609 6.088 ( 0.000 1.723 6.596) 6.818 6.141 ( 0.000 -3.972 -0.188) 3.977 6.204 ( 0.000 5.019 -7.467) 8.997 6.268 ( 0.000 -0.511 0.292) 0.588 6.402 ( 0.000 6.796 1.881) 7.052 6.465 ( 0.000 7.525 1.332) 7.641 6.485 ( 0.000 -2.095 -9.058) 9.297 6.602 ( 0.000 -0.999 4.222) 4.339 6.777 ( 0.000 -0.377 1.113) 1.176 6.840 ( 0.000 -11.151 12.632) 16.850 6.954 ( 0.000 0.304 1.873) 1.898 7.009 ( 0.000 0.819 -4.845) 4.914 7.042 ( 0.000 -0.298 -6.841) 6.847 7.195 ( 0.000 -9.506 -5.415) 10.940 7.375 ( 0.000 7.696 -0.428) 7.708 7.432 ( 0.000 1.218 -0.639) 1.376 7.546 ( 0.000 4.846 3.734) 6.117 7.565 ( 0.000 0.116 3.640) 3.642 7.716 ( 0.000 11.255 -1.837) 11.404 7.856 ( 0.000 -1.477 5.683) 5.872 7.979 ( 0.000 0.824 0.075) 0.828 7.995 ( 0.000 -3.096 1.631) 3.499 8.111 ( 0.000 0.979 4.963) 5.059 8.178 ( 0.000 -3.886 8.841) 9.657 8.468 ( 0.000 2.910 4.002) 4.948 8.478 ( 0.000 0.840 -2.276) 2.426 8.680 ( 0.000 -0.191 13.462) 13.464 8.704 ( 0.000 -1.583 9.939) 10.064 9.008 ( 0.000 7.651 -0.556) 7.671 9.075 ( 0.000 11.230 1.017) 11.276 9.199 ( 0.000 -10.664 5.381) 11.944 9.273 ( 0.000 -9.085 4.609) 10.188 9.693 ( 0.000 10.826 6.505) 12.630 9.714 ( 0.000 7.639 0.107) 7.640 9.873 ( 0.000 3.245 2.895) 4.348 9.937 ( 0.000 -1.413 8.389) 8.507 10.063 ( 0.000 -3.865 -11.029) 11.687 10.134 ( 0.000 -10.033 -8.044) 12.860 10.494 ( 0.000 2.213 1.135) 2.487 10.524 ( 0.000 -1.103 0.968) 1.468 10.929 ( 0.000 4.515 -3.847) 5.931 10.993 ( 0.000 -2.228 -7.303) 7.636 11.243 ( 0.000 4.902 2.440) 5.475 11.347 ( 0.000 -4.311 -1.769) 4.660 11.370 ( 0.000 6.822 -9.033) 11.320 11.442 ( 0.000 -1.052 -2.011) 2.269 11.476 ( 0.000 3.550 -1.585) 3.888 11.598 ( 0.000 -7.504 -4.095) 8.548 11.709 ( 0.000 -1.496 1.663) 2.237 11.711 ( 0.000 -2.978 2.167) 3.683 12.223 ( 0.000 -0.586 -2.087) 2.168 12.282 ( 0.000 -6.838 -1.045) 6.918 12.555 ( 0.000 1.780 4.262) 4.619 12.628 ( 0.000 -6.416 5.175) 8.243 12.760 ( 0.000 6.526 2.799) 7.101 12.922 ( 0.000 5.426 0.241) 5.431 12.928 ( 0.000 -9.352 -1.464) 9.466 13.034 ( 0.000 -5.991 0.632) 6.025 14.032 ( 0.000 -1.186 2.765) 3.008 14.034 ( 0.000 -2.335 3.748) 4.416 14.607 ( 0.000 0.885 -2.408) 2.566 14.625 ( 0.000 -0.828 -2.529) 2.661 15.282 ( 0.000 11.191 -27.779) 29.949 15.417 ( 0.000 -1.330 -22.566) 22.606 15.432 ( 0.000 5.942 -29.287) 29.883 15.546 ( 0.000 -7.243 -27.402) 28.343 16.497 ( 0.000 2.363 19.347) 19.491 16.555 ( 0.000 -2.544 14.823) 15.040 16.616 ( 0.000 3.043 8.902) 9.408 16.756 ( 0.000 -9.995 13.649) 16.917 17.994 ( 0.000 11.414 -11.231) 16.013 18.184 ( 0.000 -7.883 -8.859) 11.859 19.030 ( 0.000 2.612 -5.696) 6.266 19.053 ( 0.000 1.040 -12.404) 12.448 19.482 ( 0.000 14.625 17.552) 22.847 19.633 ( 0.000 -3.027 5.819) 6.559 19.654 ( 0.000 -2.003 8.439) 8.674 19.797 ( 0.000 -15.536 20.514) 25.734 21.604 ( 0.000 0.712 3.529) 3.600 21.604 ( 0.000 0.812 3.512) 3.605 22.240 ( 0.000 6.735 1.635) 6.931 22.412 ( 0.000 -11.011 2.152) 11.220 23.855 ( 0.000 0.700 5.190) 5.237 23.946 ( 0.000 -8.709 4.810) 9.949 25.219 ( 0.000 5.393 -5.659) 7.817 25.320 ( 0.000 -5.124 -6.976) 8.655 25.904 ( 0.000 2.705 -0.486) 2.748 25.913 ( 0.000 1.228 -0.895) 1.520 26.439 ( 0.000 -1.024 -5.259) 5.358 26.446 ( 0.000 -1.722 -3.953) 4.312 ======================= Grid point 40 (20/60) ======================= q-point: ( 0.33 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 3.454 14.513 8.431) 17.136 2.719 ( 3.501 11.185 9.465) 15.065 2.731 ( -3.482 17.490 6.363) 18.934 2.883 ( -5.597 8.207 6.764) 12.018 3.113 ( 6.836 9.952 8.430) 14.725 3.295 ( -8.492 -3.473 7.267) 11.704 3.716 ( 1.288 -6.762 0.590) 6.908 3.756 ( -2.234 -9.738 0.311) 9.996 3.872 ( 4.206 -2.221 5.686) 7.414 3.920 ( 0.802 -8.576 7.702) 11.555 4.260 ( 0.913 1.723 -16.425) 16.541 4.293 ( -1.147 -0.182 -12.407) 12.461 5.088 ( -0.022 8.503 14.815) 17.081 5.109 ( -1.747 5.302 11.528) 12.808 5.434 ( 3.719 1.875 -6.302) 7.554 5.490 ( 0.331 -3.360 -7.828) 8.526 5.729 ( 1.832 0.096 -11.997) 12.136 5.814 ( -2.975 -4.022 -8.537) 9.895 6.019 ( -2.841 -0.071 3.406) 4.436 6.035 ( -5.261 -0.267 4.325) 6.816 6.255 ( 2.743 5.316 -1.015) 6.067 6.308 ( -0.130 1.689 -2.851) 3.316 6.371 ( 0.342 -1.381 2.088) 2.527 6.394 ( -1.460 -1.389 -0.453) 2.065 6.570 ( 4.687 0.604 -12.700) 13.551 6.645 ( 1.162 2.437 3.350) 4.302 6.702 ( -3.286 0.477 4.859) 5.885 6.777 ( -9.573 1.137 -7.472) 12.197 7.062 ( 12.433 -2.134 6.936) 14.396 7.106 ( 9.781 -3.728 2.583) 10.781 7.197 ( 2.647 2.820 -2.801) 4.775 7.236 ( 0.748 -3.041 -6.935) 7.609 7.308 ( 2.357 -4.347 -1.210) 5.091 7.459 ( -2.124 6.435 4.420) 8.091 7.518 ( -1.532 2.372 1.702) 3.297 7.566 ( -8.038 2.333 10.492) 13.422 7.743 ( 2.927 8.309 -5.518) 10.394 7.845 ( -2.862 4.876 -7.137) 9.106 7.899 ( -0.719 -2.776 -0.478) 2.908 7.964 ( -1.872 -1.586 1.431) 2.841 8.042 ( 6.251 -3.862 6.028) 9.504 8.234 ( -2.576 1.054 7.864) 8.343 8.262 ( -6.969 0.310 14.962) 16.508 8.370 ( -11.562 -0.612 6.885) 13.471 8.686 ( 4.866 -2.120 4.814) 7.166 8.789 ( -1.468 -2.649 8.121) 8.668 9.065 ( 1.064 7.848 -0.246) 7.924 9.072 ( 1.889 6.408 -2.214) 7.038 9.247 ( 9.712 -2.329 4.113) 10.801 9.403 ( 0.311 -8.555 4.783) 9.806 9.732 ( 2.483 11.101 6.246) 12.977 9.755 ( 1.544 9.364 4.706) 10.593 9.859 ( 0.407 2.905 2.671) 3.967 9.917 ( -2.551 1.282 2.610) 3.868 10.083 ( 2.169 -8.410 -8.754) 12.331 10.122 ( -0.990 -11.195 -8.581) 14.140 10.400 ( -1.346 1.131 3.736) 4.129 10.490 ( -5.409 1.884 6.876) 8.949 10.980 ( 4.577 0.472 -5.376) 7.077 11.054 ( 2.795 -1.199 -11.982) 12.362 11.196 ( -5.301 1.908 2.799) 6.291 11.226 ( -5.007 1.350 -6.946) 8.668 11.345 ( 0.325 3.700 -0.615) 3.765 11.398 ( -2.689 -1.121 -0.088) 2.915 11.548 ( 4.911 1.216 -6.027) 7.870 11.649 ( -3.362 -1.348 -2.431) 4.363 11.679 ( 3.477 -3.530 1.120) 5.080 11.728 ( -0.541 -1.929 2.417) 3.140 12.232 ( 1.023 -2.193 -2.039) 3.164 12.266 ( -1.394 -3.544 -1.325) 4.032 12.555 ( 0.298 -2.128 4.532) 5.016 12.583 ( -2.120 -4.722 4.718) 7.003 12.829 ( 3.703 4.060 1.835) 5.793 12.888 ( -1.488 1.296 1.171) 2.295 12.996 ( 2.821 -3.750 -1.334) 4.879 13.032 ( -0.434 -4.909 -0.060) 4.929 14.065 ( 4.315 -2.201 0.709) 4.896 14.117 ( 2.050 -2.194 2.525) 3.923 14.581 ( -0.560 0.207 -2.099) 2.183 14.609 ( -1.740 -0.168 -1.249) 2.148 15.186 ( -2.659 5.621 -26.746) 27.459 15.236 ( -7.120 3.649 -27.665) 28.799 15.623 ( 10.665 3.529 -27.416) 29.628 15.719 ( 4.826 -0.586 -30.544) 30.929 16.322 ( -5.359 -0.880 18.338) 19.125 16.404 ( -11.001 -2.475 13.420) 17.528 16.721 ( 6.081 -1.752 17.145) 18.275 16.799 ( -0.276 -3.764 16.521) 16.947 18.040 ( 3.571 6.613 -12.610) 14.680 18.134 ( -3.810 -2.901 -11.321) 12.293 19.061 ( 2.587 2.235 -3.351) 4.787 19.092 ( 1.481 1.037 -11.386) 11.529 19.389 ( -3.440 6.255 16.083) 17.596 19.440 ( -6.814 -0.976 5.475) 8.795 19.832 ( 5.706 -2.659 13.010) 14.453 19.872 ( 2.465 -7.446 16.343) 18.128 21.565 ( -1.572 1.905 2.689) 3.651 21.573 ( -1.902 0.732 3.202) 3.796 22.311 ( 4.528 0.498 2.208) 5.062 22.392 ( -2.017 -7.620 2.445) 8.253 23.879 ( 1.829 -1.583 5.128) 5.670 23.925 ( -1.686 -6.294 4.949) 8.182 25.223 ( 0.878 2.943 -5.715) 6.488 25.273 ( -3.044 -1.967 -6.188) 7.172 25.913 ( 0.420 1.787 -0.644) 1.946 25.915 ( 0.125 1.273 -0.829) 1.524 26.446 ( 0.743 -1.264 -5.153) 5.357 26.456 ( 0.179 -1.278 -4.562) 4.741 ======================= Grid point 54 (21/60) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 0.000 0.000 37.015) 37.015 1.632 ( 0.000 0.000 38.697) 38.697 2.150 ( 0.000 0.000 30.831) 30.831 2.635 ( 0.000 0.000 -11.489) 11.489 2.752 ( 0.000 0.000 20.303) 20.303 2.790 ( 0.000 0.000 31.818) 31.818 3.249 ( 0.000 0.000 21.539) 21.539 4.118 ( 0.000 0.000 -6.349) 6.349 4.213 ( 0.000 0.000 -12.883) 12.883 4.458 ( 0.000 0.000 17.232) 17.232 4.577 ( 0.000 0.000 16.870) 16.870 4.699 ( 0.000 0.000 14.092) 14.092 4.726 ( 0.000 0.000 5.459) 5.459 4.761 ( 0.000 0.000 -13.992) 13.992 4.859 ( 0.000 0.000 -32.336) 32.336 5.103 ( 0.000 0.000 4.312) 4.312 5.478 ( 0.000 0.000 1.585) 1.585 5.680 ( 0.000 0.000 -7.200) 7.200 5.788 ( 0.000 0.000 -14.170) 14.170 5.888 ( 0.000 0.000 9.259) 9.259 5.986 ( 0.000 0.000 -14.950) 14.950 6.019 ( 0.000 0.000 -4.881) 4.881 6.233 ( 0.000 0.000 -7.697) 7.697 6.241 ( 0.000 0.000 -4.236) 4.236 6.280 ( 0.000 0.000 -6.131) 6.131 6.537 ( 0.000 0.000 -2.917) 2.917 6.563 ( 0.000 0.000 -4.108) 4.108 6.604 ( 0.000 0.000 -3.542) 3.542 6.746 ( 0.000 0.000 -11.858) 11.858 6.793 ( 0.000 0.000 6.459) 6.459 6.972 ( 0.000 0.000 10.230) 10.230 7.200 ( 0.000 0.000 -0.707) 0.707 7.230 ( 0.000 0.000 0.399) 0.399 7.602 ( 0.000 0.000 12.325) 12.325 7.675 ( 0.000 0.000 -1.554) 1.554 7.692 ( 0.000 0.000 1.582) 1.582 7.742 ( 0.000 0.000 1.496) 1.496 8.034 ( 0.000 0.000 -3.853) 3.853 8.052 ( 0.000 0.000 3.407) 3.407 8.114 ( 0.000 0.000 -14.342) 14.342 8.333 ( 0.000 0.000 1.641) 1.641 8.354 ( 0.000 0.000 16.566) 16.566 8.362 ( 0.000 0.000 -3.048) 3.048 8.379 ( 0.000 0.000 10.172) 10.172 8.874 ( 0.000 0.000 11.725) 11.725 8.941 ( 0.000 0.000 -7.987) 7.987 8.942 ( 0.000 0.000 8.937) 8.937 9.078 ( 0.000 0.000 8.728) 8.728 9.154 ( 0.000 0.000 12.384) 12.384 9.518 ( 0.000 0.000 11.908) 11.908 9.639 ( 0.000 0.000 0.510) 0.510 9.698 ( 0.000 0.000 11.486) 11.486 9.754 ( 0.000 0.000 7.748) 7.748 9.772 ( 0.000 0.000 -7.203) 7.203 9.871 ( 0.000 0.000 9.713) 9.713 10.132 ( 0.000 0.000 -8.463) 8.463 10.213 ( 0.000 0.000 6.592) 6.592 10.614 ( 0.000 0.000 -0.107) 0.107 10.631 ( 0.000 0.000 4.886) 4.886 10.890 ( 0.000 0.000 -12.082) 12.082 11.089 ( 0.000 0.000 -12.962) 12.962 11.214 ( 0.000 0.000 -15.416) 15.416 11.227 ( 0.000 0.000 -15.009) 15.009 11.463 ( 0.000 0.000 -0.058) 0.058 11.515 ( 0.000 0.000 -1.485) 1.485 11.718 ( 0.000 0.000 -11.856) 11.856 12.057 ( 0.000 0.000 -3.150) 3.150 12.272 ( 0.000 0.000 8.522) 8.522 12.304 ( 0.000 0.000 1.705) 1.705 12.744 ( 0.000 0.000 -2.121) 2.121 12.854 ( 0.000 0.000 -8.802) 8.802 12.893 ( 0.000 0.000 0.968) 0.968 12.962 ( 0.000 0.000 -17.930) 17.930 13.034 ( 0.000 0.000 -12.709) 12.709 13.134 ( 0.000 0.000 -1.019) 1.019 13.250 ( 0.000 0.000 -11.081) 11.081 13.384 ( 0.000 0.000 9.737) 9.737 13.637 ( 0.000 0.000 9.657) 9.657 14.470 ( 0.000 0.000 -5.776) 5.776 14.542 ( 0.000 0.000 -1.861) 1.861 14.673 ( 0.000 0.000 5.393) 5.393 14.753 ( 0.000 0.000 7.143) 7.143 14.949 ( 0.000 0.000 -10.760) 10.760 15.466 ( 0.000 0.000 -20.192) 20.192 16.557 ( 0.000 0.000 -11.592) 11.592 16.719 ( 0.000 0.000 -5.489) 5.489 16.984 ( 0.000 0.000 -12.462) 12.462 17.351 ( 0.000 0.000 42.021) 42.021 17.921 ( 0.000 0.000 -2.073) 2.073 18.110 ( 0.000 0.000 5.819) 5.819 18.327 ( 0.000 0.000 -24.422) 24.422 18.348 ( 0.000 0.000 -2.573) 2.573 19.306 ( 0.000 0.000 0.420) 0.420 20.411 ( 0.000 0.000 9.860) 9.860 21.085 ( 0.000 0.000 -8.034) 8.034 21.237 ( 0.000 0.000 24.018) 24.018 21.305 ( 0.000 0.000 -0.538) 0.538 21.717 ( 0.000 0.000 6.301) 6.301 22.417 ( 0.000 0.000 -12.510) 12.510 23.836 ( 0.000 0.000 -17.206) 17.206 23.942 ( 0.000 0.000 2.800) 2.800 24.334 ( 0.000 0.000 7.726) 7.726 24.842 ( 0.000 0.000 -0.551) 0.551 25.045 ( 0.000 0.000 9.160) 9.160 25.295 ( 0.000 0.000 11.989) 11.989 25.917 ( 0.000 0.000 -18.819) 18.819 26.431 ( 0.000 0.000 -10.329) 10.329 26.705 ( 0.000 0.000 -4.477) 4.477 ======================= Grid point 55 (22/60) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.552 ( 5.033 0.000 35.053) 35.413 1.771 ( 18.458 0.000 32.377) 37.269 1.937 ( -23.412 0.000 15.434) 28.042 2.306 ( -25.356 0.000 25.283) 35.807 2.775 ( 25.066 0.000 22.921) 33.965 3.121 ( 3.454 0.000 8.725) 9.384 3.622 ( 19.505 0.000 16.432) 25.504 4.007 ( -13.360 0.000 5.905) 14.607 4.067 ( -0.313 0.000 2.052) 2.075 4.280 ( -16.512 0.000 14.327) 21.862 4.629 ( 8.219 0.000 8.487) 11.815 4.666 ( 0.636 0.000 -5.181) 5.220 4.725 ( -3.569 0.000 -9.605) 10.246 4.805 ( 6.824 0.000 7.784) 10.352 4.810 ( -4.250 0.000 -23.572) 23.952 5.023 ( -9.405 0.000 9.621) 13.455 5.555 ( 7.080 0.000 -5.144) 8.752 5.717 ( -5.488 0.000 -12.417) 13.576 5.738 ( 4.274 0.000 -8.888) 9.863 5.842 ( -3.828 0.000 -3.748) 5.358 6.024 ( 0.887 0.000 -4.752) 4.834 6.034 ( 4.767 0.000 -1.377) 4.962 6.094 ( -5.624 0.000 -2.064) 5.991 6.180 ( -6.013 0.000 1.706) 6.250 6.435 ( 6.759 0.000 -11.936) 13.717 6.505 ( 3.415 0.000 -9.329) 9.934 6.534 ( -1.859 0.000 -11.452) 11.602 6.628 ( -4.925 0.000 -12.166) 13.125 6.855 ( 10.618 0.000 -2.428) 10.892 6.890 ( 4.970 0.000 11.560) 12.584 6.983 ( -2.268 0.000 9.729) 9.990 7.095 ( -8.401 0.000 -1.661) 8.563 7.308 ( 8.566 0.000 3.757) 9.354 7.521 ( -7.386 0.000 10.308) 12.681 7.712 ( 5.094 0.000 -0.893) 5.172 7.758 ( 4.131 0.000 1.919) 4.554 7.808 ( 2.879 0.000 2.000) 3.505 7.885 ( -7.156 0.000 -2.204) 7.488 8.083 ( -0.516 0.000 8.094) 8.111 8.200 ( 5.563 0.000 0.084) 5.564 8.216 ( -6.521 0.000 4.039) 7.671 8.295 ( 0.062 0.000 -8.071) 8.071 8.297 ( -2.934 0.000 -0.500) 2.977 8.401 ( -4.629 0.000 -10.228) 11.226 8.903 ( 3.563 0.000 13.550) 14.011 8.988 ( 3.935 0.000 8.888) 9.720 9.004 ( -3.834 0.000 13.838) 14.359 9.011 ( 2.862 0.000 9.431) 9.856 9.271 ( 6.416 0.000 15.662) 16.925 9.493 ( -12.604 0.000 17.117) 21.257 9.536 ( 2.784 0.000 10.800) 11.153 9.635 ( 0.889 0.000 1.451) 1.701 9.678 ( -7.842 0.000 6.563) 10.226 9.696 ( -3.578 0.000 3.908) 5.299 9.959 ( 7.574 0.000 -3.952) 8.543 10.108 ( -3.716 0.000 -6.878) 7.818 10.412 ( 13.745 0.000 -0.352) 13.749 10.675 ( 5.121 0.000 -5.518) 7.528 10.677 ( -3.045 0.000 -0.470) 3.081 10.814 ( -5.598 0.000 -11.445) 12.740 10.941 ( -2.376 0.000 -4.599) 5.177 11.087 ( -9.770 0.000 4.641) 10.817 11.334 ( 8.033 0.000 -12.984) 15.268 11.505 ( 6.121 0.000 -12.511) 13.928 11.558 ( -10.254 0.000 -11.429) 15.355 11.602 ( -0.527 0.000 -10.066) 10.079 12.151 ( 5.283 0.000 -2.638) 5.905 12.257 ( -3.638 0.000 -0.053) 3.638 12.462 ( 14.797 0.000 3.775) 15.271 12.764 ( 2.321 0.000 -3.654) 4.329 12.828 ( -2.294 0.000 -7.043) 7.407 12.838 ( -14.668 0.000 -6.533) 16.057 12.992 ( 6.187 0.000 0.922) 6.256 13.047 ( 6.040 0.000 -16.909) 17.955 13.104 ( -2.850 0.000 -0.592) 2.911 13.190 ( -5.030 0.000 -12.964) 13.905 13.407 ( 2.686 0.000 9.759) 10.122 13.530 ( -7.037 0.000 9.842) 12.099 14.467 ( 0.371 0.000 -3.585) 3.604 14.501 ( -2.313 0.000 -1.960) 3.031 14.716 ( 2.344 0.000 4.991) 5.514 14.752 ( -0.572 0.000 5.965) 5.992 15.105 ( 11.196 0.000 -13.001) 17.157 15.359 ( -8.786 0.000 -17.768) 19.822 16.586 ( 2.472 0.000 -9.987) 10.288 16.665 ( -3.755 0.000 -6.888) 7.845 17.098 ( 8.528 0.000 -4.156) 9.486 17.295 ( -6.176 0.000 21.027) 21.915 18.033 ( 8.414 0.000 -2.476) 8.770 18.156 ( 7.973 0.000 7.136) 10.700 18.243 ( -8.088 0.000 -2.675) 8.519 18.355 ( -3.248 0.000 -9.410) 9.954 19.403 ( 11.905 0.000 8.674) 14.730 20.113 ( -52.312 0.000 24.340) 57.697 20.535 ( 9.848 0.000 9.004) 13.344 20.822 ( -13.717 0.000 5.927) 14.943 21.457 ( 10.250 0.000 10.153) 14.427 21.648 ( -5.791 0.000 7.160) 9.208 23.286 ( 32.909 0.000 -27.254) 42.729 23.737 ( -9.467 0.000 -20.346) 22.440 24.027 ( 6.775 0.000 3.702) 7.720 24.217 ( -8.292 0.000 6.022) 10.248 25.071 ( 18.617 0.000 -7.254) 19.980 25.127 ( 5.580 0.000 10.307) 11.721 25.247 ( -3.963 0.000 11.576) 12.236 25.583 ( -22.096 0.000 -15.649) 27.076 26.568 ( 6.679 0.000 -8.769) 11.022 26.675 ( -2.690 0.000 -5.575) 6.190 ======================= Grid point 57 (23/60) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 0.000 13.147 34.152) 36.595 1.766 ( 0.000 13.282 36.004) 38.375 2.322 ( 0.000 14.633 20.826) 25.452 2.626 ( 0.000 0.375 -4.435) 4.450 2.698 ( 0.000 -0.220 26.437) 26.438 2.976 ( 0.000 14.483 28.854) 32.285 3.326 ( 0.000 6.809 16.748) 18.079 4.045 ( 0.000 -4.837 -9.068) 10.277 4.287 ( 0.000 4.093 -5.346) 6.733 4.399 ( 0.000 -5.235 16.507) 17.317 4.592 ( 0.000 -6.433 12.016) 13.630 4.623 ( 0.000 4.302 9.231) 10.184 4.743 ( 0.000 -2.857 -12.866) 13.180 4.813 ( 0.000 6.138 4.730) 7.749 4.851 ( 0.000 0.208 -29.731) 29.731 5.200 ( 0.000 6.647 6.324) 9.175 5.487 ( 0.000 -0.570 -7.011) 7.034 5.679 ( 0.000 1.938 -3.756) 4.226 5.744 ( 0.000 -1.274 -8.826) 8.917 5.938 ( 0.000 4.733 3.972) 6.179 6.051 ( 0.000 3.742 -14.290) 14.772 6.069 ( 0.000 2.492 -3.325) 4.156 6.189 ( 0.000 -1.640 -11.622) 11.737 6.217 ( 0.000 3.616 -0.540) 3.656 6.345 ( 0.000 3.255 -1.618) 3.635 6.589 ( 0.000 3.480 -0.883) 3.590 6.614 ( 0.000 5.262 -4.591) 6.983 6.647 ( 0.000 1.610 -11.687) 11.798 6.822 ( 0.000 8.173 9.262) 12.353 6.945 ( 0.000 13.756 -8.290) 16.061 6.976 ( 0.000 0.592 8.329) 8.350 7.101 ( 0.000 -5.854 -2.336) 6.303 7.217 ( 0.000 -0.821 1.419) 1.640 7.429 ( 0.000 -13.602 3.026) 13.934 7.636 ( 0.000 -6.675 -1.731) 6.896 7.749 ( 0.000 0.984 10.573) 10.618 7.781 ( 0.000 7.445 -1.934) 7.692 8.033 ( 0.000 -2.782 5.343) 6.023 8.075 ( 0.000 1.990 0.249) 2.006 8.142 ( 0.000 2.333 -11.748) 11.978 8.253 ( 0.000 -7.070 15.940) 17.437 8.336 ( 0.000 -4.056 6.965) 8.060 8.351 ( 0.000 -0.118 0.353) 0.372 8.390 ( 0.000 4.238 6.353) 7.637 8.737 ( 0.000 -6.822 8.769) 11.110 8.745 ( 0.000 -11.387 -0.171) 11.388 9.018 ( 0.000 2.733 9.866) 10.238 9.211 ( 0.000 6.462 16.317) 17.550 9.248 ( 0.000 9.127 2.116) 9.369 9.451 ( 0.000 -6.297 8.583) 10.645 9.656 ( 0.000 -0.919 2.728) 2.878 9.732 ( 0.000 2.622 6.831) 7.317 9.776 ( 0.000 3.849 0.957) 3.966 9.828 ( 0.000 5.475 -4.693) 7.212 10.006 ( 0.000 10.676 7.488) 13.041 10.124 ( 0.000 -0.969 -3.134) 3.281 10.221 ( 0.000 1.189 2.118) 2.429 10.567 ( 0.000 -4.510 1.365) 4.712 10.623 ( 0.000 1.105 0.204) 1.124 10.951 ( 0.000 1.741 -9.962) 10.113 11.063 ( 0.000 -8.263 -15.818) 17.847 11.072 ( 0.000 0.850 -12.330) 12.359 11.288 ( 0.000 -0.032 -0.312) 0.313 11.466 ( 0.000 0.320 0.354) 0.477 11.501 ( 0.000 -1.079 -4.461) 4.590 11.716 ( 0.000 -0.545 -10.838) 10.852 12.055 ( 0.000 -3.121 -1.460) 3.445 12.161 ( 0.000 -2.221 0.286) 2.239 12.222 ( 0.000 -7.870 -0.499) 7.886 12.496 ( 0.000 -14.421 0.409) 14.427 12.856 ( 0.000 -3.882 1.627) 4.209 12.986 ( 0.000 1.598 -13.893) 13.985 13.009 ( 0.000 5.886 -5.825) 8.281 13.106 ( 0.000 -2.650 -1.165) 2.894 13.171 ( 0.000 1.772 -0.470) 1.834 13.229 ( 0.000 -1.879 -8.834) 9.032 13.422 ( 0.000 8.809 6.352) 10.860 13.834 ( 0.000 19.180 -11.871) 22.556 14.489 ( 0.000 1.653 -5.302) 5.554 14.563 ( 0.000 1.949 -2.659) 3.297 14.625 ( 0.000 -5.665 5.106) 7.626 14.690 ( 0.000 -5.190 5.179) 7.332 14.957 ( 0.000 0.842 -12.866) 12.893 15.438 ( 0.000 -3.045 -20.594) 20.818 16.559 ( 0.000 0.185 -10.398) 10.399 16.728 ( 0.000 0.742 -2.819) 2.915 17.040 ( 0.000 5.909 -13.946) 15.146 17.265 ( 0.000 -7.810 36.260) 37.091 17.688 ( 0.000 -16.237 1.258) 16.286 18.187 ( 0.000 3.610 -0.154) 3.613 18.359 ( 0.000 3.203 -24.384) 24.593 18.535 ( 0.000 14.533 0.286) 14.536 19.310 ( 0.000 0.978 3.915) 4.035 20.334 ( 0.000 -7.343 10.981) 13.210 20.902 ( 0.000 -18.924 6.421) 19.983 21.096 ( 0.000 -10.309 20.965) 23.363 21.413 ( 0.000 6.566 2.967) 7.205 21.658 ( 0.000 -4.012 6.781) 7.878 22.229 ( 0.000 -10.353 -3.283) 10.861 23.412 ( 0.000 -23.091 -4.888) 23.603 24.319 ( 0.000 15.230 -6.607) 16.601 24.587 ( 0.000 16.758 -5.756) 17.719 24.600 ( 0.000 -11.048 2.886) 11.418 25.138 ( 0.000 -12.839 7.883) 15.066 25.301 ( 0.000 15.700 3.179) 16.018 25.908 ( 0.000 -1.268 -11.859) 11.926 26.422 ( 0.000 -1.010 -10.106) 10.157 26.657 ( 0.000 -4.549 -4.150) 6.158 ======================= Grid point 58 (24/60) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 2.962 13.821 33.654) 36.502 1.879 ( 15.539 10.900 29.486) 35.067 2.012 ( -19.354 8.168 19.237) 28.484 2.377 ( -22.177 7.239 23.539) 33.141 2.891 ( 18.987 9.768 14.098) 25.586 3.119 ( 5.309 1.040 13.385) 14.437 3.675 ( 15.857 4.459 12.118) 20.449 3.999 ( -9.575 0.377 8.213) 12.621 4.091 ( 0.418 1.598 5.429) 5.675 4.354 ( -14.328 5.397 12.228) 19.595 4.564 ( 4.912 -5.251 7.379) 10.303 4.640 ( -0.433 -2.868 9.274) 9.717 4.684 ( 0.013 -1.159 -24.256) 24.283 4.802 ( -4.233 -0.215 -22.332) 22.730 4.907 ( 7.429 7.754 5.581) 12.103 5.122 ( -8.299 7.675 8.792) 14.320 5.538 ( 4.073 -1.062 -5.670) 7.062 5.633 ( -3.101 -3.675 -7.787) 9.152 5.791 ( 3.792 0.472 -5.557) 6.744 5.902 ( -3.691 5.159 -2.415) 6.788 5.969 ( -3.107 -2.497 -8.268) 9.179 5.985 ( -3.053 3.572 -9.788) 10.857 6.210 ( 2.630 7.872 -1.990) 8.535 6.292 ( -3.117 6.408 0.651) 7.156 6.376 ( 7.535 -2.363 -9.160) 12.094 6.543 ( -5.269 1.263 -10.198) 11.548 6.656 ( 4.933 10.339 -7.656) 13.778 6.700 ( 2.159 3.865 -9.357) 10.352 6.856 ( 0.079 -0.599 3.051) 3.111 6.889 ( -2.962 0.869 5.754) 6.530 7.045 ( 3.754 6.254 2.411) 7.682 7.117 ( -0.171 4.396 1.072) 4.528 7.323 ( 9.734 1.355 3.092) 10.303 7.517 ( 1.490 -4.264 6.427) 7.855 7.607 ( -3.508 -8.726 3.005) 9.873 7.646 ( 1.398 -6.011 2.269) 6.575 7.733 ( -3.568 -4.079 2.036) 5.789 7.837 ( -13.723 -6.372 6.544) 16.485 8.102 ( 4.051 -2.008 3.868) 5.950 8.187 ( -0.600 5.514 2.907) 6.262 8.229 ( 3.192 -3.575 -12.596) 13.477 8.314 ( 1.650 2.866 3.791) 5.031 8.367 ( -4.147 -2.271 -4.733) 6.690 8.400 ( -2.579 6.846 1.924) 7.564 8.802 ( 4.988 -5.634 15.205) 16.965 8.826 ( 4.155 -7.280 11.053) 13.872 9.080 ( 3.975 4.597 12.507) 13.905 9.165 ( -3.061 7.101 13.531) 15.585 9.288 ( 3.215 1.723 7.522) 8.360 9.426 ( -5.304 -4.494 9.549) 11.811 9.611 ( -0.573 -0.229 3.351) 3.407 9.641 ( -2.257 0.460 2.196) 3.182 9.704 ( -2.087 6.473 7.029) 9.781 9.805 ( -6.447 9.217 6.196) 12.842 10.028 ( 5.661 6.166 -4.162) 9.348 10.139 ( -1.676 2.920 -3.773) 5.056 10.363 ( 9.605 -3.477 -1.864) 10.384 10.550 ( -3.412 -6.868 -3.302) 8.350 10.736 ( 6.695 3.870 -2.985) 8.289 10.894 ( 0.760 -3.032 -4.913) 5.823 10.931 ( -8.547 6.044 -9.147) 13.902 11.030 ( -6.592 -4.684 -2.218) 8.385 11.304 ( 6.962 -1.220 -6.101) 9.338 11.480 ( -3.578 -1.062 -3.601) 5.186 11.601 ( 2.755 2.118 -12.451) 12.927 11.660 ( -1.384 3.299 -10.806) 11.383 12.089 ( 2.815 -9.696 -1.403) 10.193 12.142 ( -1.354 -7.692 -2.410) 8.174 12.298 ( 5.886 -6.953 2.391) 9.418 12.445 ( -4.821 -13.974 1.247) 14.835 12.905 ( 2.754 -2.407 -0.549) 3.698 12.957 ( -1.513 1.475 -5.940) 6.305 13.077 ( 4.135 1.153 -9.732) 10.637 13.093 ( 0.313 1.011 -0.693) 1.265 13.141 ( -2.301 2.072 -0.101) 3.098 13.179 ( -3.889 -1.092 -9.334) 10.171 13.489 ( 6.213 12.635 2.105) 14.236 13.694 ( -9.779 17.571 -6.375) 21.096 14.483 ( 0.253 1.354 -3.495) 3.757 14.515 ( -2.325 1.212 -2.416) 3.565 14.673 ( 2.118 -4.450 3.825) 6.238 14.698 ( -0.010 -4.814 4.383) 6.511 15.098 ( 10.333 -0.601 -14.858) 18.108 15.337 ( -8.341 -2.301 -18.783) 20.680 16.591 ( 2.687 0.408 -8.126) 8.568 16.673 ( -3.847 0.592 -4.013) 5.590 17.127 ( 6.379 3.053 -4.279) 8.265 17.252 ( -2.650 -4.315 21.152) 21.750 17.793 ( 7.984 -15.521 -1.202) 17.496 18.001 ( -9.343 -7.264 -6.828) 13.663 18.496 ( 3.993 9.823 -9.226) 14.055 18.521 ( -0.219 15.252 0.153) 15.255 19.419 ( 12.511 2.031 12.093) 17.518 20.064 ( -41.852 -4.579 25.523) 49.233 20.497 ( 6.931 -4.232 10.747) 13.470 20.773 ( -14.298 -4.883 9.482) 17.838 21.458 ( 9.435 0.358 7.951) 12.344 21.643 ( -5.477 -0.464 6.835) 8.771 22.955 ( 29.474 -23.453 -11.883) 39.497 23.347 ( -7.090 -24.097 -7.304) 26.159 24.365 ( 3.925 17.148 -6.802) 18.861 24.493 ( -6.299 17.499 -5.908) 19.514 24.743 ( 11.389 -14.878 2.396) 18.889 25.021 ( -9.745 -15.747 5.403) 19.291 25.428 ( 9.552 14.335 -0.403) 17.230 25.702 ( -13.000 6.893 -8.045) 16.770 26.529 ( 5.797 -3.574 -8.244) 10.693 26.628 ( -2.600 -4.464 -5.280) 7.387 ======================= Grid point 60 (25/60) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 0.000 20.908 25.654) 33.095 2.109 ( 0.000 21.027 29.666) 36.362 2.603 ( 0.000 13.662 14.765) 20.116 2.690 ( 0.000 6.533 4.842) 8.132 2.770 ( 0.000 7.448 21.512) 22.765 3.324 ( 0.000 19.777 24.762) 31.690 3.474 ( 0.000 8.085 11.123) 13.751 3.947 ( 0.000 -5.477 -8.170) 9.836 4.266 ( 0.000 -8.206 11.840) 14.406 4.292 ( 0.000 -4.943 -4.073) 6.405 4.510 ( 0.000 -3.080 11.142) 11.560 4.588 ( 0.000 -8.982 3.638) 9.691 4.789 ( 0.000 9.337 -14.781) 17.483 4.888 ( 0.000 3.748 -17.595) 17.989 4.929 ( 0.000 6.491 5.145) 8.282 5.315 ( 0.000 5.392 5.552) 7.739 5.463 ( 0.000 -1.094 -11.112) 11.166 5.756 ( 0.000 5.206 -6.934) 8.671 5.782 ( 0.000 4.104 -4.892) 6.385 6.033 ( 0.000 5.405 5.036) 7.387 6.117 ( 0.000 2.904 -11.133) 11.506 6.133 ( 0.000 5.441 -4.489) 7.054 6.164 ( 0.000 -0.390 -16.480) 16.485 6.390 ( 0.000 9.987 4.003) 10.759 6.415 ( 0.000 4.223 -0.316) 4.234 6.522 ( 0.000 -7.557 5.114) 9.125 6.669 ( 0.000 0.348 -11.369) 11.374 6.803 ( 0.000 10.024 -2.411) 10.310 6.946 ( 0.000 -3.318 -2.622) 4.230 6.977 ( 0.000 6.983 10.061) 12.247 7.136 ( 0.000 9.124 -3.158) 9.655 7.172 ( 0.000 -3.235 0.484) 3.271 7.234 ( 0.000 3.477 4.481) 5.672 7.283 ( 0.000 11.730 -11.671) 16.547 7.464 ( 0.000 -10.002 -1.829) 10.167 7.727 ( 0.000 -3.835 10.114) 10.817 7.858 ( 0.000 -5.583 2.870) 6.277 7.926 ( 0.000 -2.739 8.128) 8.577 8.025 ( 0.000 -5.449 12.390) 13.535 8.186 ( 0.000 0.100 -9.080) 9.080 8.245 ( 0.000 6.116 4.600) 7.653 8.254 ( 0.000 -1.634 -0.563) 1.728 8.336 ( 0.000 -4.051 6.395) 7.570 8.478 ( 0.000 4.610 12.053) 12.904 8.630 ( 0.000 2.031 3.354) 3.921 8.695 ( 0.000 2.806 3.222) 4.273 9.034 ( 0.000 -0.588 12.472) 12.485 9.281 ( 0.000 -9.255 5.417) 10.724 9.389 ( 0.000 10.916 15.991) 19.361 9.391 ( 0.000 4.874 2.004) 5.270 9.623 ( 0.000 -2.249 5.282) 5.741 9.792 ( 0.000 -2.916 -3.993) 4.944 9.850 ( 0.000 8.664 2.457) 9.006 9.885 ( 0.000 -0.355 -1.240) 1.290 10.080 ( 0.000 -4.525 -1.382) 4.731 10.202 ( 0.000 6.812 3.430) 7.627 10.288 ( 0.000 6.391 -1.622) 6.594 10.519 ( 0.000 0.995 1.824) 2.077 10.670 ( 0.000 4.049 1.330) 4.262 10.869 ( 0.000 -7.350 -13.989) 15.803 10.945 ( 0.000 -2.936 -12.111) 12.461 11.169 ( 0.000 6.061 -8.734) 10.631 11.274 ( 0.000 -0.071 8.060) 8.060 11.475 ( 0.000 0.537 1.117) 1.239 11.477 ( 0.000 -1.232 -4.444) 4.612 11.684 ( 0.000 -3.031 -8.930) 9.430 11.952 ( 0.000 -7.894 0.831) 7.938 12.032 ( 0.000 -10.741 -3.026) 11.159 12.130 ( 0.000 -1.121 -6.953) 7.043 12.408 ( 0.000 4.181 -0.337) 4.195 12.732 ( 0.000 -9.197 3.087) 9.701 12.960 ( 0.000 -6.581 5.711) 8.714 12.964 ( 0.000 -4.736 -3.551) 5.919 13.069 ( 0.000 -0.641 -3.468) 3.527 13.085 ( 0.000 -7.713 5.441) 9.439 13.190 ( 0.000 -2.039 -4.091) 4.571 13.730 ( 0.000 17.579 -5.116) 18.309 14.239 ( 0.000 19.957 -27.939) 34.335 14.445 ( 0.000 -11.643 4.771) 12.582 14.520 ( 0.000 1.532 -5.289) 5.507 14.599 ( 0.000 -4.237 -0.626) 4.283 14.610 ( 0.000 2.850 -5.098) 5.841 14.979 ( 0.000 1.268 -17.056) 17.103 15.343 ( 0.000 -6.717 -21.974) 22.977 16.571 ( 0.000 1.257 -6.499) 6.620 16.742 ( 0.000 0.749 1.579) 1.747 17.094 ( 0.000 -8.943 27.130) 28.566 17.210 ( 0.000 11.187 -15.666) 19.251 17.384 ( 0.000 -14.622 2.529) 14.840 18.216 ( 0.000 -1.133 -4.623) 4.760 18.449 ( 0.000 5.954 -24.205) 24.926 18.776 ( 0.000 8.345 -4.889) 9.672 19.388 ( 0.000 8.430 15.462) 17.610 20.163 ( 0.000 -9.333 14.241) 17.027 20.474 ( 0.000 -21.284 24.382) 32.365 20.857 ( 0.000 -14.166 23.304) 27.272 21.531 ( 0.000 5.362 1.203) 5.495 21.625 ( 0.000 0.384 3.701) 3.721 22.130 ( 0.000 -0.972 -1.333) 1.650 23.009 ( 0.000 -18.364 -1.492) 18.425 24.233 ( 0.000 -11.928 6.337) 13.507 24.613 ( 0.000 -14.719 1.869) 14.837 24.735 ( 0.000 13.233 -9.435) 16.252 25.063 ( 0.000 6.286 -9.393) 11.302 25.576 ( 0.000 12.510 0.230) 12.512 25.872 ( 0.000 -1.905 -4.404) 4.798 26.388 ( 0.000 -2.498 -9.569) 9.890 26.548 ( 0.000 -6.231 -4.299) 7.571 ======================= Grid point 61 (26/60) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 0.879 21.884 28.669) 36.078 2.159 ( 4.424 17.068 22.751) 28.784 2.272 ( -6.234 18.282 23.018) 30.048 2.572 ( -16.037 12.152 18.244) 27.161 3.040 ( 13.629 5.161 4.567) 15.272 3.223 ( -1.618 9.090 16.027) 18.496 3.763 ( 10.999 4.242 6.114) 13.280 4.003 ( -4.770 -1.294 7.838) 9.267 4.105 ( 5.550 -0.809 6.324) 8.453 4.374 ( -6.298 -6.589 2.515) 9.455 4.467 ( 0.513 -3.283 7.547) 8.246 4.536 ( -3.168 -6.775 4.231) 8.593 4.750 ( 0.847 7.006 -13.902) 15.590 4.825 ( -3.791 3.659 -13.400) 14.398 5.065 ( 8.717 8.141 1.113) 11.979 5.274 ( -6.675 7.992 3.785) 11.079 5.509 ( 5.132 -1.816 -3.542) 6.495 5.654 ( -6.711 6.238 1.787) 9.335 5.818 ( 4.004 3.614 -9.467) 10.896 5.963 ( -7.029 2.338 -10.634) 12.960 6.048 ( 0.471 7.143 -4.656) 8.539 6.102 ( -3.100 6.527 -11.502) 13.583 6.269 ( 5.325 -1.847 -8.375) 10.095 6.361 ( -2.796 2.035 -4.507) 5.681 6.457 ( 4.925 8.119 2.313) 9.773 6.586 ( -0.692 -0.034 -3.655) 3.720 6.637 ( 1.336 -2.064 3.218) 4.050 6.782 ( -7.313 -4.791 2.332) 9.048 6.896 ( 6.969 11.484 -9.898) 16.686 7.036 ( -3.704 10.470 -3.935) 11.782 7.168 ( 6.563 6.137 1.999) 9.205 7.236 ( 3.874 -0.587 2.842) 4.841 7.351 ( 3.325 4.375 -4.926) 7.380 7.374 ( 9.110 -0.573 3.500) 9.776 7.484 ( -1.106 -7.796 -2.329) 8.211 7.551 ( -6.594 -4.368 10.043) 12.784 7.678 ( -10.345 -2.266 9.165) 14.006 7.723 ( -12.908 -3.037 7.053) 15.020 8.081 ( 4.841 -1.272 5.002) 7.076 8.189 ( 2.038 0.061 -6.998) 7.289 8.228 ( -4.349 -1.549 4.339) 6.335 8.271 ( -3.224 -3.795 -4.004) 6.390 8.383 ( 7.698 1.027 5.830) 9.711 8.519 ( -2.339 4.647 5.600) 7.643 8.746 ( 7.927 -0.221 8.705) 11.776 8.787 ( 4.818 4.831 11.944) 13.755 9.113 ( 4.386 -2.159 11.517) 12.512 9.196 ( -4.312 -4.388 9.786) 11.559 9.372 ( 0.388 6.945 3.442) 7.761 9.408 ( -2.777 3.604 7.545) 8.811 9.575 ( -1.286 -1.808 4.499) 5.017 9.644 ( -7.363 -0.031 1.452) 7.505 9.816 ( 3.434 3.179 1.569) 4.935 9.951 ( -4.339 3.950 5.764) 8.225 10.117 ( 5.469 1.926 -6.402) 8.637 10.218 ( -0.937 3.784 -2.066) 4.412 10.351 ( 5.651 3.568 -0.542) 6.706 10.478 ( -3.444 0.518 0.738) 3.560 10.788 ( 4.931 -1.970 -4.183) 6.759 10.843 ( -2.045 1.651 -5.882) 6.443 10.902 ( 1.436 -3.820 -11.321) 12.034 11.083 ( -8.168 6.012 -5.880) 11.723 11.309 ( 6.363 1.549 1.620) 6.746 11.478 ( -4.987 0.448 2.729) 5.702 11.569 ( 7.258 -4.969 -4.396) 9.834 11.683 ( -0.487 -1.371 -10.840) 10.937 11.893 ( -1.340 -8.649 -0.114) 8.753 11.963 ( -4.896 -9.864 -3.820) 11.656 12.211 ( 4.956 -2.220 -3.181) 6.294 12.329 ( -4.986 -0.507 -0.756) 5.068 12.815 ( 4.874 -6.240 0.885) 7.968 12.906 ( -2.901 -5.092 -0.824) 5.918 13.006 ( 1.813 -6.570 4.825) 8.351 13.053 ( -1.902 -7.434 5.012) 9.165 13.103 ( 2.261 -0.182 -3.553) 4.216 13.163 ( -2.219 -1.113 -4.351) 5.009 13.828 ( 8.166 17.468 -8.970) 21.267 14.074 ( -11.302 17.604 -18.956) 28.231 14.487 ( 2.098 -3.800 -1.605) 4.628 14.517 ( -0.517 -0.337 -4.970) 5.008 14.588 ( 0.258 -1.868 -0.969) 2.120 14.609 ( -0.766 -2.589 -1.392) 3.038 15.088 ( 8.005 -0.383 -19.234) 20.836 15.272 ( -6.199 -4.233 -21.811) 23.067 16.597 ( 2.242 0.138 -2.653) 3.476 16.673 ( -4.098 -0.793 2.489) 4.860 17.146 ( 3.051 -5.869 18.343) 19.499 17.196 ( -1.109 2.189 0.219) 2.463 17.553 ( 12.811 -7.229 -8.876) 17.180 17.914 ( -16.877 -1.922 -12.831) 21.288 18.646 ( 8.101 5.650 -13.544) 16.762 18.755 ( -2.032 7.822 -6.996) 10.689 19.505 ( 11.682 7.275 21.013) 25.118 19.963 ( -23.799 -5.182 27.703) 36.887 20.371 ( 6.561 -8.124 13.732) 17.252 20.640 ( -13.953 -8.637 16.126) 23.007 21.483 ( 5.778 2.357 3.781) 7.297 21.634 ( -4.867 -0.332 5.634) 7.452 22.580 ( 22.695 -14.295 -3.244) 27.018 22.930 ( -7.826 -18.513 -2.294) 20.229 24.328 ( 7.527 -13.146 5.377) 16.075 24.520 ( -7.279 -14.297 3.209) 16.361 24.791 ( 4.833 12.013 -9.885) 16.291 24.950 ( -7.746 8.461 -9.355) 14.802 25.656 ( 5.620 9.456 -1.621) 11.119 25.794 ( -5.572 3.012 -3.697) 7.334 26.447 ( 3.817 -4.566 -7.881) 9.876 26.522 ( -2.240 -5.967 -5.369) 8.334 ======================= Grid point 63 (27/60) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 0.000 20.828 16.290) 26.442 2.527 ( 0.000 20.553 21.498) 29.742 2.863 ( 0.000 10.289 9.321) 13.883 2.890 ( 0.000 16.224 19.356) 25.256 2.946 ( 0.000 10.030 9.826) 14.041 3.629 ( 0.000 7.112 6.095) 9.366 3.648 ( 0.000 11.820 12.316) 17.070 3.829 ( 0.000 -6.458 -4.314) 7.767 4.094 ( 0.000 -9.232 8.906) 12.827 4.103 ( 0.000 -12.806 -4.807) 13.679 4.385 ( 0.000 -11.280 10.704) 15.550 4.416 ( 0.000 -6.990 7.043) 9.923 4.970 ( 0.000 7.438 -25.798) 26.849 5.031 ( 0.000 11.930 -1.102) 11.981 5.097 ( 0.000 9.297 5.074) 10.592 5.359 ( 0.000 0.418 2.738) 2.770 5.508 ( 0.000 5.258 -5.253) 7.432 5.815 ( 0.000 -2.491 -5.906) 6.409 5.879 ( 0.000 6.796 -10.449) 12.465 6.097 ( 0.000 -2.980 -11.955) 12.321 6.144 ( 0.000 5.103 1.176) 5.236 6.239 ( 0.000 4.171 -12.071) 12.771 6.252 ( 0.000 6.126 -2.230) 6.519 6.400 ( 0.000 -1.822 8.540) 8.732 6.472 ( 0.000 -0.292 4.434) 4.443 6.526 ( 0.000 6.909 1.331) 7.036 6.700 ( 0.000 3.775 -3.394) 5.077 6.830 ( 0.000 -2.539 -0.586) 2.606 6.980 ( 0.000 1.702 -7.620) 7.808 7.008 ( 0.000 -2.955 -3.120) 4.297 7.214 ( 0.000 4.669 2.570) 5.329 7.281 ( 0.000 5.015 -2.512) 5.609 7.300 ( 0.000 -3.313 -2.675) 4.258 7.414 ( 0.000 13.055 3.122) 13.423 7.521 ( 0.000 8.644 -5.165) 10.070 7.568 ( 0.000 -19.196 13.082) 23.230 7.642 ( 0.000 -2.324 9.291) 9.578 7.963 ( 0.000 3.070 2.524) 3.975 7.966 ( 0.000 -0.357 6.929) 6.939 8.103 ( 0.000 -5.914 -1.844) 6.195 8.200 ( 0.000 -6.522 -2.164) 6.871 8.344 ( 0.000 1.557 -0.951) 1.825 8.348 ( 0.000 7.044 1.989) 7.319 8.559 ( 0.000 3.454 10.728) 11.270 8.771 ( 0.000 10.323 8.752) 13.534 8.858 ( 0.000 13.608 5.872) 14.821 9.007 ( 0.000 -1.903 15.653) 15.768 9.108 ( 0.000 -7.397 6.298) 9.715 9.470 ( 0.000 1.697 -4.831) 5.120 9.568 ( 0.000 -1.824 8.591) 8.783 9.611 ( 0.000 11.474 9.579) 14.947 9.659 ( 0.000 -11.716 5.471) 12.930 9.798 ( 0.000 -5.733 -2.638) 6.311 10.008 ( 0.000 -2.074 -7.872) 8.140 10.021 ( 0.000 6.642 0.171) 6.644 10.221 ( 0.000 -2.893 3.677) 4.678 10.435 ( 0.000 7.400 4.023) 8.423 10.554 ( 0.000 -2.682 -0.400) 2.711 10.780 ( 0.000 6.772 1.010) 6.847 10.782 ( 0.000 2.524 -10.764) 11.056 10.948 ( 0.000 2.836 -14.485) 14.760 11.250 ( 0.000 1.572 -8.707) 8.847 11.302 ( 0.000 2.869 7.296) 7.840 11.463 ( 0.000 0.025 -0.235) 0.237 11.480 ( 0.000 -0.218 0.822) 0.850 11.596 ( 0.000 -5.660 -6.734) 8.796 11.794 ( 0.000 -6.838 0.362) 6.847 11.841 ( 0.000 -8.233 -3.192) 8.830 12.143 ( 0.000 1.193 -6.899) 7.001 12.511 ( 0.000 -12.827 3.478) 13.290 12.512 ( 0.000 5.034 -0.290) 5.043 12.845 ( 0.000 -6.730 1.576) 6.912 12.871 ( 0.000 -1.029 6.252) 6.336 12.941 ( 0.000 -5.759 6.221) 8.477 13.037 ( 0.000 -3.326 -0.226) 3.334 13.145 ( 0.000 -3.007 0.211) 3.014 13.993 ( 0.000 8.446 -4.225) 9.444 14.225 ( 0.000 -9.912 2.905) 10.329 14.495 ( 0.000 3.318 -16.621) 16.949 14.530 ( 0.000 -2.562 -5.804) 6.344 14.619 ( 0.000 10.925 -20.809) 23.502 14.684 ( 0.000 6.075 -11.213) 12.753 14.993 ( 0.000 -0.303 -20.542) 20.545 15.188 ( 0.000 -8.888 -23.933) 25.530 16.616 ( 0.000 3.556 -0.970) 3.686 16.764 ( 0.000 1.597 5.264) 5.501 16.939 ( 0.000 -6.848 19.906) 21.051 17.127 ( 0.000 -11.932 3.079) 12.323 17.454 ( 0.000 13.555 -16.023) 20.988 18.137 ( 0.000 -6.912 -9.332) 11.613 18.580 ( 0.000 7.247 -23.366) 24.464 18.847 ( 0.000 0.045 -11.335) 11.335 19.632 ( 0.000 15.344 24.137) 28.601 20.003 ( 0.000 -6.640 18.376) 19.539 20.143 ( 0.000 -12.842 25.635) 28.672 20.562 ( 0.000 -15.862 24.421) 29.120 21.614 ( 0.000 3.196 0.543) 3.242 21.646 ( 0.000 1.240 2.529) 2.817 22.160 ( 0.000 3.729 -0.201) 3.735 22.696 ( 0.000 -14.189 0.479) 14.197 24.049 ( 0.000 -6.520 7.651) 10.053 24.297 ( 0.000 -15.021 6.050) 16.194 24.941 ( 0.000 8.039 -9.786) 12.665 25.154 ( 0.000 1.625 -12.682) 12.785 25.779 ( 0.000 8.279 -1.127) 8.356 25.857 ( 0.000 0.642 -1.906) 2.012 26.332 ( 0.000 -2.981 -9.180) 9.652 26.429 ( 0.000 -5.781 -5.439) 7.937 ======================= Grid point 64 (28/60) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 2.139 23.172 17.719) 29.249 2.515 ( 1.860 18.856 18.653) 26.589 2.660 ( -3.307 20.082 18.687) 27.630 2.811 ( -9.574 11.625 11.793) 19.128 3.157 ( 10.994 7.756 10.014) 16.772 3.391 ( -9.488 7.410 10.048) 15.681 3.819 ( 4.811 0.486 0.929) 4.924 3.921 ( -0.745 -7.022 2.022) 7.346 4.048 ( 6.107 -4.489 5.935) 9.626 4.179 ( -0.361 -10.264 -2.758) 10.634 4.356 ( -0.452 -9.071 13.051) 15.900 4.397 ( -2.091 -7.871 6.747) 10.576 4.921 ( -0.508 9.805 -13.970) 17.075 4.971 ( -3.769 10.681 -5.893) 12.768 5.196 ( 6.495 4.635 -3.791) 8.834 5.375 ( -7.532 0.954 -5.883) 9.605 5.552 ( 11.484 6.730 5.198) 14.290 5.779 ( -4.991 3.878 0.426) 6.335 5.900 ( 1.841 3.505 -11.217) 11.895 5.996 ( -6.786 0.356 -9.969) 12.065 6.148 ( 1.298 3.453 -5.151) 6.336 6.205 ( -3.078 3.533 -7.847) 9.139 6.280 ( 3.393 4.077 -1.769) 5.591 6.384 ( -3.623 2.195 1.435) 4.472 6.506 ( 5.032 -3.821 -0.979) 6.394 6.574 ( 2.736 3.224 0.572) 4.267 6.704 ( -2.039 4.806 2.888) 5.966 6.718 ( -5.054 -0.328 2.717) 5.747 7.068 ( 9.158 4.392 -8.593) 13.304 7.128 ( 3.709 -4.013 -2.070) 5.843 7.191 ( -2.733 0.736 -2.991) 4.118 7.290 ( 6.797 2.729 -0.834) 7.371 7.344 ( -7.991 0.997 -1.477) 8.188 7.441 ( 3.702 3.930 1.933) 5.735 7.518 ( -0.076 3.394 7.575) 8.301 7.532 ( -1.344 6.333 -3.201) 7.222 7.570 ( -1.078 -4.796 9.473) 10.673 7.737 ( -10.388 3.391 6.734) 12.836 8.033 ( -1.532 -4.828 -1.179) 5.201 8.061 ( -4.793 -9.325 1.021) 10.534 8.240 ( 7.384 -2.828 3.774) 8.761 8.287 ( -0.074 6.669 2.112) 6.996 8.411 ( 1.545 3.264 4.211) 5.548 8.556 ( -5.918 -0.514 9.518) 11.219 8.793 ( 8.461 3.594 3.362) 9.788 8.954 ( 0.433 9.917 8.494) 13.065 9.024 ( 1.182 -4.580 11.827) 12.738 9.122 ( -1.539 -2.543 7.411) 7.985 9.409 ( 0.711 -3.283 4.486) 5.604 9.528 ( 0.276 7.578 0.738) 7.619 9.571 ( -3.080 0.214 0.201) 3.094 9.668 ( -4.065 3.343 6.736) 8.548 9.851 ( 5.347 1.878 2.561) 6.219 9.960 ( -2.641 -0.919 1.425) 3.138 10.139 ( 5.243 -0.870 -3.779) 6.521 10.211 ( -1.005 -4.017 -0.188) 4.145 10.448 ( 2.892 4.643 6.558) 8.540 10.541 ( -3.080 2.966 4.506) 6.212 10.743 ( 1.948 0.367 -15.994) 16.117 10.838 ( -3.859 0.078 -13.936) 14.461 10.963 ( 6.938 6.136 -1.474) 9.379 11.181 ( -9.147 4.144 -1.809) 10.203 11.350 ( 5.207 2.326 4.239) 7.106 11.459 ( 5.112 -4.342 -3.003) 7.348 11.481 ( -3.299 -1.873 3.403) 5.096 11.614 ( -2.749 -4.984 -7.810) 9.664 11.759 ( 0.462 -4.663 -0.536) 4.716 11.811 ( -2.071 -5.657 -2.900) 6.686 12.192 ( 3.664 -0.614 -5.458) 6.602 12.316 ( -7.159 -2.395 -1.686) 7.735 12.690 ( 6.167 -5.569 2.100) 8.571 12.800 ( -3.403 -6.039 1.701) 7.138 12.895 ( 1.347 -2.931 6.319) 7.095 12.923 ( -0.988 -4.362 4.870) 6.612 13.078 ( 2.567 -2.695 0.416) 3.745 13.128 ( -1.466 -2.669 0.285) 3.059 14.058 ( 5.680 4.989 -5.843) 9.554 14.208 ( -4.395 -3.874 -3.965) 7.074 14.470 ( 0.740 2.712 -12.535) 12.847 14.524 ( -2.112 0.490 -8.820) 9.083 14.591 ( 0.571 5.835 -12.026) 13.379 14.645 ( -2.809 4.466 -9.354) 10.740 15.079 ( 5.751 -0.822 -23.712) 24.414 15.182 ( -1.962 -4.796 -25.837) 26.352 16.596 ( -0.449 -0.202 4.111) 4.141 16.647 ( -5.144 -1.579 7.835) 9.504 17.049 ( 5.830 -3.764 13.501) 15.180 17.145 ( -1.297 -5.959 7.955) 10.023 17.570 ( 10.668 7.039 -17.938) 22.026 17.897 ( -15.268 -0.833 -14.918) 21.362 18.722 ( 7.293 2.585 -17.891) 19.492 18.829 ( -2.034 0.691 -13.484) 13.653 19.684 ( 5.176 10.051 26.578) 28.883 19.879 ( -9.998 -3.221 28.981) 30.825 20.218 ( 8.263 -6.778 15.918) 19.173 20.451 ( -9.395 -10.408 20.685) 24.989 21.543 ( 1.123 3.487 1.076) 3.818 21.631 ( -3.986 -0.008 3.639) 5.397 22.393 ( 13.573 -5.579 -0.277) 14.678 22.631 ( -6.169 -12.597 0.239) 14.029 24.110 ( 4.831 -8.467 7.300) 12.178 24.235 ( -4.837 -12.799 6.504) 15.149 24.975 ( 3.130 6.739 -10.196) 12.616 25.080 ( -5.113 3.739 -11.513) 13.140 25.807 ( 1.838 6.251 -1.749) 6.746 25.844 ( -1.134 2.573 -2.079) 3.497 26.362 ( 2.205 -4.004 -8.204) 9.392 26.411 ( -1.596 -5.271 -6.376) 8.426 ======================= Grid point 66 (29/60) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 0.000 12.715 10.348) 16.393 2.827 ( 0.000 7.871 12.566) 14.827 3.035 ( 0.000 6.012 8.839) 10.690 3.063 ( 0.000 3.291 6.007) 6.850 3.272 ( 0.000 19.676 16.191) 25.481 3.599 ( 0.000 -12.181 6.384) 13.753 3.767 ( 0.000 1.590 2.875) 3.285 3.786 ( 0.000 0.680 -1.233) 1.408 3.897 ( 0.000 -4.503 4.513) 6.376 3.936 ( 0.000 -5.897 8.772) 10.569 4.213 ( 0.000 -3.909 11.621) 12.261 4.265 ( 0.000 -7.307 7.557) 10.512 5.090 ( 0.000 4.908 -19.879) 20.476 5.159 ( 0.000 -1.968 -11.712) 11.876 5.296 ( 0.000 14.282 -1.847) 14.401 5.476 ( 0.000 7.412 13.321) 15.244 5.531 ( 0.000 -2.508 -11.853) 12.116 5.694 ( 0.000 -9.076 -3.025) 9.566 5.978 ( 0.000 2.672 -8.111) 8.540 6.026 ( 0.000 -3.397 -8.105) 8.788 6.225 ( 0.000 3.522 -7.103) 7.928 6.264 ( 0.000 -0.627 -11.110) 11.128 6.330 ( 0.000 4.154 7.806) 8.843 6.407 ( 0.000 -1.297 11.016) 11.092 6.587 ( 0.000 10.603 5.186) 11.803 6.656 ( 0.000 4.001 1.216) 4.182 6.791 ( 0.000 6.106 -1.570) 6.305 6.864 ( 0.000 4.837 -7.526) 8.946 6.933 ( 0.000 -1.851 -2.085) 2.788 6.939 ( 0.000 -1.713 -0.579) 1.808 7.111 ( 0.000 -10.541 -2.279) 10.784 7.136 ( 0.000 -20.002 11.508) 23.076 7.369 ( 0.000 2.843 -1.629) 3.277 7.374 ( 0.000 1.456 -5.151) 5.353 7.618 ( 0.000 3.503 0.580) 3.551 7.620 ( 0.000 5.510 2.562) 6.076 7.734 ( 0.000 9.838 4.417) 10.784 7.934 ( 0.000 -9.140 2.703) 9.531 7.988 ( 0.000 1.591 1.153) 1.965 8.018 ( 0.000 -1.621 0.247) 1.639 8.159 ( 0.000 4.468 -1.325) 4.660 8.288 ( 0.000 -6.352 -0.589) 6.379 8.499 ( 0.000 7.374 4.406) 8.590 8.588 ( 0.000 -1.243 7.589) 7.690 8.955 ( 0.000 3.319 12.454) 12.889 8.972 ( 0.000 -1.188 13.914) 13.965 9.067 ( 0.000 8.660 7.630) 11.542 9.150 ( 0.000 14.061 6.946) 15.683 9.359 ( 0.000 -16.863 10.173) 19.694 9.377 ( 0.000 -8.819 4.092) 9.722 9.632 ( 0.000 5.409 -5.923) 8.021 9.703 ( 0.000 -1.501 -13.754) 13.835 9.867 ( 0.000 9.900 9.423) 13.667 9.990 ( 0.000 2.243 -1.787) 2.868 10.014 ( 0.000 -6.102 -1.753) 6.348 10.131 ( 0.000 -7.898 8.188) 11.376 10.499 ( 0.000 0.763 -3.630) 3.710 10.522 ( 0.000 0.836 3.339) 3.443 10.886 ( 0.000 4.341 -2.267) 4.897 10.893 ( 0.000 3.660 0.408) 3.683 11.052 ( 0.000 7.665 -15.080) 16.917 11.204 ( 0.000 -6.313 -11.191) 12.849 11.372 ( 0.000 3.946 4.627) 6.081 11.449 ( 0.000 -3.691 3.048) 4.787 11.484 ( 0.000 1.961 1.258) 2.330 11.514 ( 0.000 -1.540 -4.739) 4.983 11.704 ( 0.000 -2.279 -1.638) 2.806 11.723 ( 0.000 -4.011 -1.609) 4.322 12.168 ( 0.000 2.400 -3.210) 4.008 12.280 ( 0.000 -9.604 1.225) 9.681 12.606 ( 0.000 5.226 1.485) 5.433 12.718 ( 0.000 -6.237 2.934) 6.892 12.873 ( 0.000 1.086 7.332) 7.412 12.945 ( 0.000 5.486 2.282) 5.942 12.946 ( 0.000 -5.363 3.775) 6.559 13.061 ( 0.000 -5.607 2.136) 6.000 14.068 ( 0.000 0.821 -0.077) 0.825 14.094 ( 0.000 -3.377 1.446) 3.674 14.505 ( 0.000 -0.164 -8.806) 8.807 14.511 ( 0.000 -0.322 -10.504) 10.509 14.789 ( 0.000 8.451 -21.064) 22.696 14.866 ( 0.000 9.280 -24.154) 25.875 14.942 ( 0.000 -5.767 -22.160) 22.898 15.020 ( 0.000 -7.865 -25.126) 26.328 16.711 ( 0.000 6.021 4.385) 7.448 16.810 ( 0.000 3.531 7.680) 8.453 16.825 ( 0.000 -5.435 13.152) 14.230 16.925 ( 0.000 -8.623 4.579) 9.763 17.718 ( 0.000 13.374 -15.148) 20.207 17.959 ( 0.000 -11.129 -12.930) 17.060 18.714 ( 0.000 6.195 -20.751) 21.656 18.810 ( 0.000 -3.563 -16.118) 16.507 19.923 ( 0.000 -1.222 21.975) 22.009 19.930 ( 0.000 10.565 28.828) 30.703 19.978 ( 0.000 0.034 20.472) 20.472 20.253 ( 0.000 -15.893 24.883) 29.525 21.655 ( 0.000 1.144 0.736) 1.361 21.662 ( 0.000 0.338 1.568) 1.604 22.271 ( 0.000 7.644 0.977) 7.706 22.453 ( 0.000 -11.042 1.302) 11.118 23.990 ( 0.000 0.497 7.878) 7.893 24.071 ( 0.000 -7.978 7.407) 10.886 25.062 ( 0.000 4.826 -9.872) 10.989 25.136 ( 0.000 -2.812 -10.974) 11.328 25.887 ( 0.000 2.539 -1.289) 2.847 25.887 ( 0.000 1.704 -1.638) 2.363 26.295 ( 0.000 -0.207 -8.824) 8.826 26.333 ( 0.000 -3.861 -7.239) 8.205 ======================= Grid point 67 (30/60) ======================= q-point: ( 0.33 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 2.974 8.429 11.068) 14.227 2.882 ( 0.410 12.052 9.276) 15.214 2.939 ( -1.691 6.641 10.775) 12.769 3.028 ( -4.023 9.915 7.552) 13.096 3.346 ( 5.094 11.191 13.957) 18.600 3.485 ( -6.670 0.359 10.346) 12.315 3.736 ( 0.126 -5.988 3.215) 6.798 3.767 ( -2.257 -7.536 2.410) 8.227 3.998 ( 6.415 0.250 4.220) 7.682 4.048 ( 4.251 -3.767 -2.309) 6.131 4.184 ( -1.210 -5.313 15.972) 16.876 4.231 ( -2.952 -7.778 9.733) 12.804 5.082 ( 0.765 5.254 -14.304) 15.258 5.137 ( -2.543 2.968 -8.255) 9.134 5.283 ( 1.610 7.239 -11.510) 13.693 5.388 ( -6.880 -0.274 -11.254) 13.193 5.622 ( 8.456 0.048 8.256) 11.818 5.752 ( -0.545 -4.456 1.907) 4.878 5.962 ( -0.516 1.754 -7.801) 8.012 5.997 ( -2.834 1.055 -7.927) 8.485 6.222 ( 0.806 3.376 -6.943) 7.762 6.256 ( -0.817 0.783 -6.657) 6.753 6.351 ( 3.391 3.263 7.610) 8.947 6.422 ( 3.164 -2.245 3.128) 4.983 6.459 ( -5.278 1.994 0.780) 5.696 6.601 ( -8.696 -0.448 -0.839) 8.748 6.804 ( -0.165 6.798 4.417) 8.108 6.827 ( -0.613 7.320 5.509) 9.182 7.024 ( 7.882 -2.453 -3.421) 8.936 7.095 ( 6.684 -2.046 -5.655) 8.991 7.122 ( -0.955 -5.274 -4.791) 7.189 7.227 ( 3.675 -9.320 4.437) 10.957 7.339 ( 8.514 0.358 1.380) 8.633 7.531 ( -1.489 5.372 1.019) 5.667 7.553 ( -2.110 3.630 2.727) 5.007 7.659 ( 0.318 3.899 -3.543) 5.278 7.681 ( -0.163 6.849 -0.677) 6.885 7.818 ( -12.152 3.861 6.453) 14.291 7.871 ( -3.687 -6.539 -1.586) 7.673 7.945 ( -3.353 -5.413 -2.325) 6.778 8.160 ( 8.572 -3.509 4.362) 10.238 8.424 ( -6.684 5.222 5.757) 10.251 8.454 ( 2.323 0.991 0.634) 2.604 8.531 ( -1.609 -1.934 12.796) 13.041 8.863 ( -0.770 4.872 10.104) 11.244 8.967 ( -2.904 -3.447 10.357) 11.295 9.062 ( 0.441 1.233 1.294) 1.841 9.090 ( -4.997 -1.736 5.481) 7.617 9.403 ( 9.158 4.895 7.122) 12.592 9.520 ( 0.220 -4.622 3.701) 5.926 9.685 ( 4.369 6.954 -5.614) 9.948 9.742 ( 1.315 2.629 -6.091) 6.763 9.903 ( 2.890 2.978 4.762) 6.316 9.963 ( -2.092 1.112 -0.069) 2.370 10.051 ( 1.735 -5.366 4.277) 7.078 10.101 ( -2.322 -6.920 9.203) 11.746 10.507 ( 2.722 1.857 4.500) 5.577 10.563 ( 0.647 0.058 -0.975) 1.171 10.802 ( -2.080 3.325 -10.674) 11.372 10.859 ( -5.170 1.096 -8.682) 10.164 11.066 ( 5.194 3.449 -4.416) 7.640 11.239 ( -7.697 1.562 0.825) 7.897 11.381 ( 6.112 -2.232 -9.502) 11.516 11.394 ( 1.222 1.384 5.035) 5.363 11.438 ( -1.888 -2.141 4.491) 5.322 11.534 ( -4.755 -2.468 -8.036) 9.658 11.709 ( 2.574 -0.880 0.463) 2.760 11.743 ( 0.090 -1.664 -0.605) 1.773 12.181 ( 1.487 0.016 -3.271) 3.594 12.239 ( -2.919 -4.085 -0.980) 5.115 12.630 ( 1.675 -0.508 3.207) 3.654 12.681 ( -2.596 -4.915 4.414) 7.098 12.888 ( 2.073 1.567 3.531) 4.384 12.934 ( -1.220 3.982 2.502) 4.858 13.006 ( 3.103 -3.837 3.597) 6.106 13.054 ( -0.937 -4.722 2.491) 5.420 14.064 ( 2.326 -1.517 -1.681) 3.246 14.132 ( -1.132 -2.166 -1.953) 3.129 14.496 ( 1.251 0.436 -7.563) 7.678 14.526 ( -0.144 -0.079 -8.304) 8.306 14.729 ( -2.504 5.425 -18.952) 19.871 14.752 ( -4.475 4.126 -18.783) 19.744 15.049 ( 5.805 -1.907 -27.225) 27.902 15.106 ( 1.988 -2.349 -29.258) 29.420 16.591 ( -3.737 -0.220 9.543) 10.250 16.626 ( -6.480 -0.443 8.347) 10.576 17.006 ( 6.350 -0.673 11.545) 13.193 17.043 ( 3.673 -3.548 8.427) 9.854 17.728 ( 2.152 7.956 -17.461) 19.309 17.852 ( -7.194 -4.257 -15.982) 18.036 18.766 ( 3.157 2.288 -19.225) 19.617 18.811 ( -0.470 -2.016 -17.443) 17.566 19.828 ( -1.870 0.904 26.371) 26.452 19.859 ( -3.910 3.568 29.153) 29.630 20.146 ( 7.608 0.292 18.828) 20.309 20.259 ( -1.510 -8.548 22.451) 24.070 21.600 ( -1.317 1.893 0.100) 2.308 21.631 ( -2.948 -0.083 1.816) 3.463 22.350 ( 5.081 0.999 1.101) 5.294 22.438 ( -1.894 -7.122 1.498) 7.520 24.012 ( 1.718 -1.549 7.807) 8.142 24.053 ( -1.464 -5.774 7.590) 9.649 25.065 ( 0.789 2.877 -9.835) 10.277 25.105 ( -2.202 -0.509 -10.299) 10.545 25.890 ( 0.277 1.685 -1.606) 2.344 25.893 ( 0.193 2.352 -1.399) 2.743 26.306 ( 1.011 -1.416 -8.632) 8.806 26.329 ( -0.617 -2.739 -7.920) 8.403 ======================= Grid point 81 (31/60) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 0.000 0.000 32.676) 32.676 2.312 ( 0.000 0.000 26.758) 26.758 2.576 ( 0.000 0.000 7.151) 7.151 2.608 ( 0.000 0.000 19.913) 19.913 3.129 ( 0.000 0.000 16.563) 16.563 3.391 ( 0.000 0.000 21.292) 21.292 3.645 ( 0.000 0.000 7.627) 7.627 3.724 ( 0.000 0.000 -24.361) 24.361 3.965 ( 0.000 0.000 -7.098) 7.098 4.214 ( 0.000 0.000 -24.131) 24.131 4.759 ( 0.000 0.000 5.339) 5.339 4.762 ( 0.000 0.000 2.358) 2.358 4.764 ( 0.000 0.000 8.278) 8.278 4.807 ( 0.000 0.000 -1.099) 1.099 4.866 ( 0.000 0.000 3.755) 3.755 5.176 ( 0.000 0.000 3.010) 3.010 5.495 ( 0.000 0.000 3.893) 3.893 5.539 ( 0.000 0.000 -11.274) 11.274 5.594 ( 0.000 0.000 -21.354) 21.354 5.621 ( 0.000 0.000 4.586) 4.586 5.991 ( 0.000 0.000 0.760) 0.760 6.106 ( 0.000 0.000 12.628) 12.628 6.138 ( 0.000 0.000 -5.729) 5.729 6.171 ( 0.000 0.000 -5.540) 5.540 6.238 ( 0.000 0.000 11.332) 11.332 6.421 ( 0.000 0.000 -10.366) 10.366 6.544 ( 0.000 0.000 3.731) 3.731 6.588 ( 0.000 0.000 6.050) 6.050 6.738 ( 0.000 0.000 6.241) 6.241 6.968 ( 0.000 0.000 9.659) 9.659 7.152 ( 0.000 0.000 7.606) 7.606 7.165 ( 0.000 0.000 -4.467) 4.467 7.302 ( 0.000 0.000 4.996) 4.996 7.626 ( 0.000 0.000 -2.801) 2.801 7.639 ( 0.000 0.000 -5.602) 5.602 7.683 ( 0.000 0.000 -1.491) 1.491 7.778 ( 0.000 0.000 -15.150) 15.150 7.806 ( 0.000 0.000 3.674) 3.674 7.942 ( 0.000 0.000 -6.627) 6.627 8.108 ( 0.000 0.000 2.910) 2.910 8.163 ( 0.000 0.000 -15.309) 15.309 8.358 ( 0.000 0.000 -0.119) 0.119 8.577 ( 0.000 0.000 6.775) 6.775 8.612 ( 0.000 0.000 7.733) 7.733 8.879 ( 0.000 0.000 1.464) 1.464 9.102 ( 0.000 0.000 12.775) 12.775 9.111 ( 0.000 0.000 6.919) 6.919 9.164 ( 0.000 0.000 -1.042) 1.042 9.442 ( 0.000 0.000 13.459) 13.459 9.693 ( 0.000 0.000 0.013) 0.013 9.700 ( 0.000 0.000 5.101) 5.101 9.731 ( 0.000 0.000 8.857) 8.857 9.908 ( 0.000 0.000 9.764) 9.764 9.934 ( 0.000 0.000 11.238) 11.238 9.936 ( 0.000 0.000 -9.688) 9.688 10.066 ( 0.000 0.000 8.712) 8.712 10.317 ( 0.000 0.000 2.589) 2.589 10.527 ( 0.000 0.000 -8.343) 8.343 10.626 ( 0.000 0.000 -13.168) 13.168 10.644 ( 0.000 0.000 -5.129) 5.129 10.767 ( 0.000 0.000 -22.249) 22.249 10.819 ( 0.000 0.000 -10.817) 10.817 10.960 ( 0.000 0.000 -11.233) 11.233 11.457 ( 0.000 0.000 -14.107) 14.107 11.498 ( 0.000 0.000 3.286) 3.286 11.551 ( 0.000 0.000 1.182) 1.182 11.955 ( 0.000 0.000 -6.910) 6.910 12.237 ( 0.000 0.000 -8.364) 8.364 12.498 ( 0.000 0.000 12.373) 12.373 12.651 ( 0.000 0.000 -7.302) 7.302 12.688 ( 0.000 0.000 -8.715) 8.715 12.779 ( 0.000 0.000 1.024) 1.024 12.784 ( 0.000 0.000 -11.703) 11.703 12.884 ( 0.000 0.000 -2.274) 2.274 13.052 ( 0.000 0.000 -8.790) 8.790 13.059 ( 0.000 0.000 -6.690) 6.690 13.590 ( 0.000 0.000 11.001) 11.001 13.845 ( 0.000 0.000 11.309) 11.309 14.359 ( 0.000 0.000 -6.069) 6.069 14.512 ( 0.000 0.000 -1.974) 1.974 14.755 ( 0.000 0.000 2.825) 2.825 14.784 ( 0.000 0.000 -4.309) 4.309 14.858 ( 0.000 0.000 3.339) 3.339 15.101 ( 0.000 0.000 -15.140) 15.140 16.408 ( 0.000 0.000 -3.647) 3.647 16.650 ( 0.000 0.000 -0.805) 0.805 16.741 ( 0.000 0.000 -11.481) 11.481 17.828 ( 0.000 0.000 -25.195) 25.195 17.843 ( 0.000 0.000 8.465) 8.465 17.880 ( 0.000 0.000 -1.889) 1.889 18.310 ( 0.000 0.000 -0.971) 0.971 18.314 ( 0.000 0.000 11.067) 11.067 19.450 ( 0.000 0.000 16.265) 16.265 20.631 ( 0.000 0.000 11.697) 11.697 20.902 ( 0.000 0.000 -10.496) 10.496 21.275 ( 0.000 0.000 -2.670) 2.670 21.696 ( 0.000 0.000 22.055) 22.055 21.826 ( 0.000 0.000 4.427) 4.427 22.172 ( 0.000 0.000 -11.242) 11.242 23.439 ( 0.000 0.000 -22.207) 22.207 24.030 ( 0.000 0.000 6.119) 6.119 24.509 ( 0.000 0.000 9.759) 9.759 24.770 ( 0.000 0.000 -6.631) 6.631 25.244 ( 0.000 0.000 10.741) 10.741 25.556 ( 0.000 0.000 13.946) 13.946 25.557 ( 0.000 0.000 -17.294) 17.294 26.203 ( 0.000 0.000 -12.322) 12.322 26.565 ( 0.000 0.000 -9.193) 9.193 ======================= Grid point 82 (32/60) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( -0.449 0.000 30.135) 30.139 2.360 ( -10.186 0.000 24.842) 26.849 2.397 ( 13.386 0.000 29.853) 32.717 2.803 ( -19.641 0.000 23.491) 30.620 2.971 ( 18.674 0.000 4.245) 19.150 3.321 ( -9.094 0.000 5.514) 10.636 3.760 ( 4.080 0.000 -25.845) 26.165 3.803 ( 2.843 0.000 -10.408) 10.790 4.104 ( 12.450 0.000 2.595) 12.717 4.271 ( 7.045 0.000 -8.002) 10.661 4.483 ( -17.807 0.000 5.301) 18.579 4.516 ( -11.762 0.000 4.156) 12.475 4.896 ( 4.423 0.000 10.892) 11.756 4.915 ( 8.047 0.000 -0.627) 8.071 4.935 ( 2.108 0.000 4.127) 4.634 5.114 ( -6.859 0.000 -2.189) 7.200 5.516 ( 2.895 0.000 2.605) 3.895 5.563 ( -1.537 0.000 -14.503) 14.584 5.573 ( -0.622 0.000 -1.617) 1.732 5.575 ( -2.504 0.000 -4.634) 5.267 6.017 ( 3.887 0.000 3.282) 5.087 6.136 ( 3.200 0.000 1.511) 3.539 6.145 ( -5.886 0.000 6.429) 8.717 6.193 ( 0.691 0.000 1.078) 1.280 6.262 ( 5.188 0.000 -4.253) 6.708 6.395 ( 1.397 0.000 -3.085) 3.386 6.399 ( -7.157 0.000 2.012) 7.434 6.513 ( -6.075 0.000 6.001) 8.539 6.859 ( 9.086 0.000 1.000) 9.141 7.078 ( -7.848 0.000 -1.026) 7.915 7.103 ( 3.918 0.000 9.126) 9.931 7.162 ( -1.264 0.000 7.528) 7.634 7.391 ( 10.264 0.000 3.765) 10.933 7.608 ( -5.097 0.000 -2.627) 5.735 7.676 ( 5.508 0.000 -2.237) 5.945 7.737 ( 4.800 0.000 -12.140) 13.054 7.782 ( 5.769 0.000 0.213) 5.773 7.849 ( -6.887 0.000 1.335) 7.015 8.008 ( 5.017 0.000 -2.532) 5.620 8.050 ( -7.273 0.000 -17.116) 18.598 8.127 ( 3.086 0.000 -6.277) 6.995 8.263 ( -6.950 0.000 -3.109) 7.614 8.316 ( -7.635 0.000 5.329) 9.311 8.439 ( -10.097 0.000 8.127) 12.961 9.165 ( 10.059 0.000 6.823) 12.155 9.166 ( 4.551 0.000 11.844) 12.688 9.199 ( 4.628 0.000 7.315) 8.656 9.224 ( 1.245 0.000 6.157) 6.281 9.494 ( 5.752 0.000 7.577) 9.513 9.652 ( -4.700 0.000 3.721) 5.994 9.686 ( -1.337 0.000 1.028) 1.686 9.701 ( -0.654 0.000 -1.549) 1.682 9.842 ( -3.087 0.000 13.560) 13.907 9.862 ( -4.422 0.000 12.889) 13.626 9.965 ( 3.563 0.000 1.977) 4.074 10.072 ( -2.471 0.000 7.288) 7.696 10.373 ( 4.427 0.000 -2.312) 4.994 10.494 ( -0.927 0.000 -11.999) 12.034 10.505 ( -6.778 0.000 -11.710) 13.530 10.543 ( -3.976 0.000 -14.461) 14.998 10.854 ( 5.527 0.000 -6.245) 8.339 10.915 ( 2.167 0.000 -17.264) 17.400 11.096 ( 9.016 0.000 -10.888) 14.136 11.321 ( -9.402 0.000 -12.307) 15.488 11.471 ( -0.700 0.000 4.838) 4.889 11.509 ( -2.964 0.000 1.063) 3.149 12.042 ( 5.688 0.000 -7.881) 9.719 12.172 ( -4.923 0.000 -8.100) 9.478 12.572 ( 5.571 0.000 6.182) 8.322 12.672 ( 1.941 0.000 -6.124) 6.424 12.712 ( -5.425 0.000 -5.929) 8.036 12.727 ( -2.520 0.000 -3.223) 4.092 12.784 ( 7.204 0.000 -9.174) 11.665 12.964 ( -6.857 0.000 -9.487) 11.705 12.981 ( 4.724 0.000 -2.248) 5.231 13.048 ( -1.230 0.000 -5.085) 5.231 13.623 ( 3.414 0.000 11.929) 12.407 13.751 ( -6.452 0.000 12.272) 13.865 14.393 ( 2.693 0.000 -4.302) 5.075 14.467 ( -3.159 0.000 -2.224) 3.863 14.791 ( 2.432 0.000 2.507) 3.492 14.841 ( -1.519 0.000 2.851) 3.230 14.884 ( 6.970 0.000 -7.692) 10.380 15.038 ( -5.203 0.000 -12.982) 13.986 16.460 ( 4.180 0.000 -2.893) 5.083 16.579 ( -5.178 0.000 -1.514) 5.394 16.909 ( 13.710 0.000 -11.788) 18.081 17.329 ( -21.087 0.000 -11.016) 23.791 17.993 ( 8.569 0.000 -1.270) 8.663 18.206 ( -8.120 0.000 -0.806) 8.160 18.219 ( 10.440 0.000 -4.731) 11.462 18.328 ( -0.232 0.000 5.166) 5.171 19.692 ( 22.293 0.000 19.925) 29.899 20.482 ( -42.591 0.000 13.984) 44.828 20.697 ( 5.149 0.000 6.878) 8.592 20.832 ( -5.361 0.000 -3.819) 6.582 21.736 ( 2.854 0.000 16.378) 16.625 21.800 ( -2.184 0.000 7.934) 8.230 22.796 ( 29.828 0.000 -22.032) 37.083 23.294 ( -13.021 0.000 -23.371) 26.754 24.129 ( 7.999 0.000 6.627) 10.388 24.360 ( -10.330 0.000 8.280) 13.239 24.916 ( 12.243 0.000 -9.045) 15.222 25.288 ( -17.516 0.000 -14.252) 22.582 25.351 ( 7.071 0.000 12.024) 13.949 25.499 ( -4.772 0.000 13.452) 14.273 26.356 ( 8.704 0.000 -11.998) 14.823 26.514 ( -4.461 0.000 -10.135) 11.073 ======================= Grid point 84 (33/60) ======================= q-point: ( 0.00 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 0.000 8.940 31.188) 32.445 2.403 ( 0.000 8.995 25.150) 26.710 2.634 ( 0.000 5.996 7.533) 9.628 2.700 ( 0.000 9.011 19.110) 21.127 3.154 ( 0.000 2.448 18.906) 19.064 3.487 ( 0.000 8.866 17.287) 19.428 3.668 ( 0.000 1.367 9.982) 10.075 3.740 ( 0.000 2.934 -23.117) 23.302 4.031 ( 0.000 5.341 -6.402) 8.337 4.220 ( 0.000 0.779 -24.422) 24.435 4.686 ( 0.000 -4.122 1.996) 4.580 4.702 ( 0.000 -8.330 11.213) 13.968 4.756 ( 0.000 -3.344 2.646) 4.264 4.837 ( 0.000 4.585 6.096) 7.627 4.918 ( 0.000 6.323 0.952) 6.395 5.225 ( 0.000 4.130 -4.241) 5.920 5.387 ( 0.000 -6.580 5.150) 8.355 5.548 ( 0.000 2.487 -11.057) 11.333 5.681 ( 0.000 6.499 -19.911) 20.945 5.715 ( 0.000 4.021 5.809) 7.065 6.017 ( 0.000 3.086 4.789) 5.697 6.057 ( 0.000 -4.029 -2.489) 4.736 6.080 ( 0.000 -0.118 7.076) 7.077 6.255 ( 0.000 4.379 -7.661) 8.824 6.312 ( 0.000 7.794 9.440) 12.242 6.457 ( 0.000 1.998 -7.080) 7.356 6.594 ( 0.000 4.672 3.222) 5.676 6.630 ( 0.000 4.213 4.480) 6.150 6.844 ( 0.000 10.497 1.339) 10.582 7.044 ( 0.000 6.710 9.141) 11.339 7.071 ( 0.000 -6.251 -1.923) 6.540 7.127 ( 0.000 -2.892 6.192) 6.834 7.288 ( 0.000 -0.897 3.927) 4.028 7.418 ( 0.000 -15.394 -3.224) 15.728 7.584 ( 0.000 -8.458 -2.940) 8.954 7.712 ( 0.000 6.217 -4.682) 7.782 7.796 ( 0.000 2.031 -15.207) 15.342 7.870 ( 0.000 1.449 1.276) 1.931 8.027 ( 0.000 7.079 -4.716) 8.506 8.110 ( 0.000 -0.138 -4.191) 4.193 8.266 ( 0.000 9.277 -3.260) 9.833 8.403 ( 0.000 0.451 -2.303) 2.347 8.514 ( 0.000 -6.110 6.039) 8.590 8.528 ( 0.000 -5.162 9.527) 10.836 8.781 ( 0.000 -6.997 5.248) 8.746 9.006 ( 0.000 -3.494 16.162) 16.535 9.208 ( 0.000 4.627 8.922) 10.050 9.258 ( 0.000 6.819 -3.096) 7.489 9.506 ( 0.000 5.990 10.065) 11.713 9.586 ( 0.000 -8.360 6.144) 10.375 9.709 ( 0.000 1.150 -4.141) 4.298 9.725 ( 0.000 -1.714 4.117) 4.459 9.837 ( 0.000 -3.276 2.778) 4.296 9.926 ( 0.000 -0.462 11.928) 11.937 10.014 ( 0.000 1.957 -4.304) 4.728 10.175 ( 0.000 8.703 8.198) 11.956 10.267 ( 0.000 -2.438 -0.873) 2.589 10.516 ( 0.000 -3.852 -6.987) 7.979 10.546 ( 0.000 3.080 -5.844) 6.606 10.766 ( 0.000 -4.070 -6.771) 7.900 10.793 ( 0.000 1.611 -10.054) 10.182 10.796 ( 0.000 7.456 -13.627) 15.533 11.051 ( 0.000 8.144 -15.389) 17.411 11.431 ( 0.000 -1.494 -9.283) 9.402 11.549 ( 0.000 -0.396 2.621) 2.651 11.555 ( 0.000 3.960 -0.144) 3.963 11.961 ( 0.000 -0.040 -6.918) 6.918 12.129 ( 0.000 -9.645 -8.025) 12.548 12.265 ( 0.000 -12.721 8.150) 15.108 12.524 ( 0.000 -9.784 2.260) 10.041 12.754 ( 0.000 5.148 -8.541) 9.972 12.863 ( 0.000 -1.906 -1.529) 2.443 12.886 ( 0.000 11.996 -4.945) 12.975 13.039 ( 0.000 -1.680 -6.303) 6.523 13.054 ( 0.000 10.655 -9.506) 14.279 13.079 ( 0.000 2.316 -6.532) 6.931 13.600 ( 0.000 2.367 10.413) 10.679 13.814 ( 0.000 -1.445 6.910) 7.060 14.391 ( 0.000 2.606 -5.565) 6.145 14.509 ( 0.000 -0.349 -3.301) 3.320 14.689 ( 0.000 -6.659 1.201) 6.767 14.741 ( 0.000 -7.061 -2.700) 7.559 14.768 ( 0.000 -5.402 -2.081) 5.789 15.077 ( 0.000 -3.117 -14.062) 14.403 16.428 ( 0.000 2.153 -3.036) 3.722 16.684 ( 0.000 2.640 -1.797) 3.194 16.789 ( 0.000 5.511 -9.948) 11.373 17.677 ( 0.000 -12.619 3.521) 13.101 17.773 ( 0.000 -12.250 9.655) 15.597 17.862 ( 0.000 3.454 -24.949) 25.187 18.178 ( 0.000 -3.018 -0.207) 3.025 18.529 ( 0.000 8.619 -2.305) 8.922 19.544 ( 0.000 9.689 20.127) 22.338 20.584 ( 0.000 -4.301 13.508) 14.176 20.889 ( 0.000 -2.143 -5.459) 5.865 21.310 ( 0.000 2.580 -0.106) 2.583 21.631 ( 0.000 -6.061 19.395) 20.320 21.783 ( 0.000 -4.247 5.255) 6.756 22.109 ( 0.000 -4.282 -7.456) 8.598 23.230 ( 0.000 -16.199 -13.915) 21.355 24.225 ( 0.000 14.316 -1.623) 14.408 24.586 ( 0.000 6.149 4.183) 7.437 24.622 ( 0.000 -11.222 -1.474) 11.318 25.243 ( 0.000 -17.633 -0.172) 17.634 25.382 ( 0.000 10.732 5.416) 12.021 25.747 ( 0.000 6.176 -1.564) 6.371 26.199 ( 0.000 -0.515 -12.058) 12.069 26.522 ( 0.000 -4.170 -8.944) 9.868 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.33 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( -0.042 10.195 28.397) 30.172 2.441 ( -5.641 8.270 25.909) 27.776 2.492 ( 9.064 9.281 27.025) 29.978 2.858 ( -17.611 5.249 23.055) 29.482 3.014 ( 16.015 4.460 4.594) 17.248 3.340 ( -10.437 2.490 4.917) 11.803 3.819 ( 5.339 2.397 -7.434) 9.461 3.826 ( 3.448 5.039 -23.473) 24.254 4.164 ( 8.523 5.198 -4.148) 10.810 4.268 ( 7.594 -0.275 -2.076) 7.877 4.457 ( -12.955 -1.648 2.448) 13.286 4.563 ( -11.784 3.859 6.450) 13.977 4.793 ( 4.780 -7.578 7.610) 11.755 4.875 ( -0.840 -4.743 6.192) 7.845 5.014 ( 7.512 6.175 -0.128) 9.725 5.191 ( -5.389 5.547 -4.366) 8.881 5.458 ( 5.848 -0.847 1.669) 6.141 5.565 ( -0.359 4.087 -3.401) 5.329 5.656 ( -0.750 5.785 -13.183) 14.416 5.690 ( -2.131 4.433 -1.168) 5.055 5.942 ( -2.526 -4.693 3.728) 6.504 5.989 ( -4.491 -5.079 7.568) 10.160 6.152 ( 4.056 0.932 -0.974) 4.274 6.244 ( -2.387 0.092 -5.359) 5.867 6.345 ( 2.812 7.913 3.640) 9.153 6.437 ( -4.350 4.392 -3.881) 7.299 6.509 ( 3.189 7.679 -0.183) 8.316 6.625 ( -3.896 8.609 3.559) 10.097 6.881 ( 3.988 1.499 0.508) 4.291 7.002 ( -4.776 -4.710 2.607) 7.197 7.150 ( 2.276 0.584 5.725) 6.188 7.183 ( 2.353 5.570 4.720) 7.671 7.396 ( 9.089 -0.394 2.634) 9.471 7.537 ( 11.297 -10.186 -2.699) 15.448 7.593 ( -6.159 -4.370 -3.772) 8.442 7.691 ( 5.279 -3.272 1.723) 6.445 7.778 ( -2.196 2.601 -1.615) 3.768 7.872 ( -4.266 0.154 -3.742) 5.677 7.964 ( -6.542 -5.818 -6.703) 11.026 8.083 ( -5.486 4.165 -6.379) 9.388 8.137 ( 1.283 2.862 -5.448) 6.287 8.285 ( -7.758 -1.644 -1.610) 8.092 8.399 ( -0.485 8.361 0.996) 8.434 8.462 ( -4.104 1.890 6.361) 7.802 9.033 ( 9.462 -7.275 8.153) 14.455 9.095 ( 3.585 -3.590 13.050) 14.002 9.293 ( 5.224 5.510 8.885) 11.687 9.318 ( 4.211 2.974 0.446) 5.175 9.464 ( -1.390 -2.021 8.016) 8.383 9.547 ( -4.658 -6.462 3.194) 8.582 9.704 ( 0.240 1.550 4.872) 5.119 9.751 ( -1.921 1.915 4.823) 5.533 9.825 ( 3.079 -0.402 2.359) 3.899 9.912 ( -2.321 4.170 9.186) 10.352 9.978 ( 1.209 -0.686 -0.483) 1.471 10.118 ( -5.112 4.345 3.746) 7.684 10.315 ( 3.017 -2.187 -2.230) 4.342 10.412 ( -4.805 -1.818 -7.598) 9.172 10.604 ( 2.152 7.942 -9.180) 12.328 10.691 ( -5.196 6.554 -13.896) 16.219 10.794 ( 4.223 -4.829 -4.737) 7.975 10.858 ( 0.719 -2.244 -11.092) 11.339 11.174 ( 7.628 5.407 -11.098) 14.512 11.349 ( -6.079 2.669 -12.079) 13.783 11.504 ( -0.853 2.750 3.633) 4.635 11.542 ( -2.419 2.802 1.034) 3.844 11.999 ( 2.921 -4.547 -6.601) 8.531 12.077 ( -3.361 -8.573 -5.486) 10.719 12.350 ( 5.699 -11.711 3.497) 13.485 12.473 ( -4.091 -10.573 1.672) 11.459 12.804 ( 2.969 4.707 -6.390) 8.474 12.848 ( -0.644 1.222 -4.612) 4.814 12.915 ( 1.925 6.979 -8.095) 10.860 13.013 ( -4.791 3.738 -7.389) 9.567 13.044 ( 1.852 4.198 -4.744) 6.600 13.078 ( -0.056 5.050 -5.264) 7.295 13.631 ( 3.111 2.126 10.297) 10.964 13.740 ( -5.241 0.304 8.646) 10.115 14.410 ( 1.833 1.357 -4.431) 4.983 14.468 ( -2.759 -0.005 -3.105) 4.154 14.717 ( 1.786 -7.221 0.475) 7.454 14.750 ( -0.818 -8.519 0.411) 8.568 14.850 ( 7.031 -3.382 -8.243) 11.350 15.009 ( -5.546 -3.353 -12.370) 13.965 16.488 ( 4.810 2.897 -2.234) 6.043 16.620 ( -5.439 3.810 -0.845) 6.694 16.936 ( 12.934 2.937 -11.792) 17.747 17.335 ( -19.798 0.440 -9.315) 21.885 17.806 ( 7.390 -14.306 1.804) 16.203 17.964 ( -3.841 -14.144 3.141) 14.989 18.325 ( 9.846 4.814 -8.191) 13.683 18.486 ( -3.904 7.511 -4.295) 9.493 19.774 ( 20.725 8.193 22.118) 31.398 20.474 ( -32.883 -0.622 16.243) 36.681 20.690 ( 2.559 -1.403 8.246) 8.747 20.858 ( -9.699 2.517 -0.376) 10.028 21.690 ( 4.378 -4.372 14.588) 15.846 21.783 ( -2.833 -1.672 7.149) 7.869 22.667 ( 27.304 -11.065 -16.051) 33.549 23.113 ( -11.033 -14.947 -16.006) 24.522 24.290 ( 5.566 12.580 -0.168) 13.757 24.462 ( -8.083 8.234 2.443) 11.794 24.756 ( 10.527 -12.080 -2.186) 16.171 25.061 ( -13.324 -15.800 -2.820) 20.859 25.479 ( 6.792 9.487 5.457) 12.881 25.643 ( -6.652 8.050 2.996) 10.864 26.328 ( 7.706 -2.711 -11.498) 14.105 26.473 ( -4.244 -3.961 -9.795) 11.386 ======================= Grid point 87 (35/60) ======================= q-point: ( 0.00 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( 0.000 13.387 27.108) 30.233 2.632 ( 0.000 13.750 20.621) 24.785 2.798 ( 0.000 10.399 7.303) 12.707 2.937 ( 0.000 15.028 18.725) 24.010 3.209 ( 0.000 2.746 21.166) 21.344 3.679 ( 0.000 9.662 9.985) 13.895 3.716 ( 0.000 4.189 5.338) 6.786 3.794 ( 0.000 0.872 -7.494) 7.545 4.113 ( 0.000 1.898 -2.147) 2.866 4.274 ( 0.000 5.992 -26.128) 26.806 4.513 ( 0.000 -10.197 11.013) 15.009 4.621 ( 0.000 -2.102 1.416) 2.534 4.648 ( 0.000 -7.464 4.141) 8.536 4.927 ( 0.000 4.032 8.044) 8.998 5.047 ( 0.000 4.700 -3.489) 5.853 5.271 ( 0.000 -0.914 -8.845) 8.892 5.411 ( 0.000 11.847 8.874) 14.802 5.619 ( 0.000 3.742 -11.100) 11.714 5.703 ( 0.000 -2.935 3.559) 4.613 5.798 ( 0.000 4.741 -18.832) 19.420 6.014 ( 0.000 0.032 -0.144) 0.148 6.077 ( 0.000 3.754 5.103) 6.335 6.196 ( 0.000 8.922 6.620) 11.110 6.332 ( 0.000 4.553 -6.829) 8.208 6.419 ( 0.000 -0.686 -1.228) 1.407 6.548 ( 0.000 10.171 1.336) 10.258 6.663 ( 0.000 0.897 7.070) 7.126 6.737 ( 0.000 5.275 -2.520) 5.846 6.985 ( 0.000 -2.810 4.201) 5.054 7.087 ( 0.000 4.056 -1.992) 4.518 7.098 ( 0.000 2.649 -0.595) 2.715 7.108 ( 0.000 0.128 -3.460) 3.463 7.214 ( 0.000 2.217 3.035) 3.758 7.303 ( 0.000 2.926 1.412) 3.249 7.423 ( 0.000 -6.090 -0.545) 6.114 7.792 ( 0.000 1.894 -5.127) 5.466 7.866 ( 0.000 -1.471 2.360) 2.781 7.873 ( 0.000 5.245 -14.727) 15.633 8.079 ( 0.000 -3.648 -0.748) 3.723 8.151 ( 0.000 4.688 -3.186) 5.668 8.244 ( 0.000 -11.383 1.210) 11.447 8.306 ( 0.000 -9.006 4.980) 10.291 8.493 ( 0.000 4.977 4.122) 6.462 8.555 ( 0.000 4.316 1.475) 4.562 8.701 ( 0.000 1.833 6.460) 6.715 9.010 ( 0.000 4.141 21.132) 21.534 9.285 ( 0.000 3.096 11.813) 12.212 9.358 ( 0.000 0.659 1.081) 1.266 9.416 ( 0.000 -6.215 2.089) 6.556 9.622 ( 0.000 3.042 3.725) 4.809 9.694 ( 0.000 -3.069 -13.676) 14.016 9.723 ( 0.000 2.215 3.249) 3.932 9.792 ( 0.000 -1.200 -0.874) 1.484 9.925 ( 0.000 0.759 7.634) 7.672 9.977 ( 0.000 -1.752 1.980) 2.644 10.293 ( 0.000 1.789 2.327) 2.935 10.327 ( 0.000 7.418 -0.406) 7.429 10.537 ( 0.000 6.008 -3.895) 7.160 10.644 ( 0.000 6.413 -3.085) 7.116 10.649 ( 0.000 -6.150 -1.251) 6.276 10.812 ( 0.000 0.187 -1.953) 1.962 10.942 ( 0.000 6.659 -12.909) 14.525 11.223 ( 0.000 8.722 -12.057) 14.881 11.397 ( 0.000 -2.236 -9.529) 9.788 11.529 ( 0.000 -1.577 6.666) 6.850 11.618 ( 0.000 1.998 2.533) 3.226 11.918 ( 0.000 -11.074 -7.346) 13.288 11.918 ( 0.000 -4.980 -4.019) 6.400 12.088 ( 0.000 -4.784 5.011) 6.928 12.440 ( 0.000 1.001 3.843) 3.971 12.762 ( 0.000 -6.113 -0.845) 6.171 12.865 ( 0.000 1.963 -3.874) 4.343 13.004 ( 0.000 0.152 -1.341) 1.350 13.013 ( 0.000 -0.139 -5.080) 5.082 13.125 ( 0.000 -2.553 -3.112) 4.025 13.130 ( 0.000 2.632 -2.696) 3.767 13.723 ( 0.000 9.227 4.440) 10.240 13.875 ( 0.000 8.671 -7.974) 11.780 14.429 ( 0.000 0.589 -4.898) 4.933 14.495 ( 0.000 -13.383 0.474) 13.392 14.500 ( 0.000 -0.190 -6.755) 6.758 14.537 ( 0.000 -10.360 -5.074) 11.536 14.704 ( 0.000 -2.694 -9.206) 9.592 14.964 ( 0.000 -8.464 -14.937) 17.168 16.498 ( 0.000 5.051 -1.114) 5.172 16.737 ( 0.000 3.086 -2.522) 3.986 16.954 ( 0.000 10.859 -8.168) 13.588 17.414 ( 0.000 -13.800 2.669) 14.056 17.507 ( 0.000 -13.711 13.497) 19.240 17.959 ( 0.000 6.480 -24.352) 25.199 18.102 ( 0.000 -5.945 -6.044) 8.478 18.617 ( 0.000 0.704 -10.243) 10.267 19.805 ( 0.000 16.206 24.695) 29.538 20.492 ( 0.000 -4.657 17.780) 18.380 20.791 ( 0.000 -7.892 8.309) 11.460 21.288 ( 0.000 -7.470 17.184) 18.738 21.538 ( 0.000 -0.873 2.255) 2.418 21.705 ( 0.000 -2.703 4.177) 4.975 22.071 ( 0.000 0.627 -4.469) 4.513 22.919 ( 0.000 -15.067 -8.293) 17.198 24.341 ( 0.000 -7.191 4.039) 8.248 24.555 ( 0.000 9.197 -7.679) 11.981 24.630 ( 0.000 -5.442 0.798) 5.500 24.964 ( 0.000 -7.444 -2.760) 7.939 25.587 ( 0.000 9.883 1.192) 9.954 25.813 ( 0.000 1.379 -0.502) 1.468 26.178 ( 0.000 -1.722 -11.270) 11.401 26.417 ( 0.000 -6.335 -8.506) 10.606 ======================= Grid point 88 (36/60) ======================= q-point: ( 0.33 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 1.682 14.960 24.687) 28.915 2.657 ( -1.342 13.037 23.980) 27.328 2.723 ( 3.874 13.516 20.350) 24.735 2.981 ( -13.208 6.840 20.934) 25.680 3.145 ( 11.669 9.307 8.013) 16.941 3.432 ( -12.341 6.824 6.713) 15.618 3.866 ( 7.066 2.171 -1.492) 7.541 3.913 ( 2.389 2.128 -17.185) 17.480 4.234 ( 1.712 -0.618 -7.197) 7.423 4.289 ( 4.377 3.820 5.344) 7.893 4.437 ( -0.552 -0.314 -0.258) 0.686 4.613 ( -3.145 -1.608 4.899) 6.040 4.652 ( 1.964 -4.499 4.905) 6.940 4.778 ( -9.105 -2.794 4.303) 10.451 5.120 ( 5.500 3.122 -4.252) 7.621 5.242 ( -3.575 0.061 -6.724) 7.616 5.571 ( 8.747 9.470 5.568) 14.043 5.640 ( 4.024 4.114 -4.401) 7.245 5.696 ( -1.454 -1.226 -1.771) 2.599 5.803 ( -1.671 9.143 -14.018) 16.819 5.905 ( -3.053 0.661 2.339) 3.903 6.034 ( -6.470 6.564 8.553) 12.574 6.195 ( 1.154 3.305 -0.216) 3.507 6.236 ( -3.320 1.248 -5.222) 6.312 6.510 ( -0.822 6.372 3.306) 7.226 6.516 ( -2.048 3.855 -6.819) 8.096 6.638 ( 5.378 5.356 0.213) 7.593 6.768 ( -1.006 5.038 1.650) 5.396 6.904 ( -3.035 1.157 1.560) 3.603 6.961 ( -3.447 3.029 1.088) 4.716 7.203 ( 7.669 3.778 0.329) 8.555 7.262 ( 8.555 -9.942 -3.230) 13.508 7.316 ( 1.947 6.105 0.315) 6.416 7.441 ( 0.531 -4.296 2.057) 4.792 7.478 ( 7.769 -0.949 3.611) 8.620 7.680 ( -2.000 -0.403 2.109) 2.934 7.768 ( -7.678 -3.232 1.135) 8.407 7.850 ( -11.819 -0.654 3.833) 12.442 7.931 ( 3.744 0.770 -12.716) 13.278 8.147 ( -9.910 -3.150 -6.349) 12.184 8.186 ( -0.092 4.243 2.329) 4.842 8.236 ( -0.940 0.495 -3.416) 3.577 8.465 ( 4.814 -2.067 2.729) 5.907 8.571 ( -3.141 7.986 0.491) 8.596 8.933 ( 12.389 -2.522 9.951) 16.089 9.075 ( 1.136 2.322 13.934) 14.171 9.256 ( 1.562 -4.835 1.624) 5.334 9.348 ( -4.118 -8.283 3.586) 9.921 9.439 ( 1.402 5.662 5.173) 7.796 9.509 ( -4.617 0.149 4.080) 6.163 9.733 ( 0.409 0.310 8.795) 8.810 9.784 ( -1.913 3.334 10.484) 11.166 9.824 ( 5.487 -0.646 -5.859) 8.053 9.920 ( 2.207 -3.012 -5.342) 6.518 10.017 ( 3.697 6.706 3.041) 8.239 10.210 ( -7.252 4.354 1.351) 8.566 10.339 ( 3.092 4.337 -3.087) 6.157 10.458 ( -5.488 5.164 -3.529) 8.321 10.645 ( 0.573 -5.265 -7.876) 9.491 10.685 ( -2.520 -4.028 -5.920) 7.591 10.809 ( 6.054 8.505 -1.797) 10.593 10.957 ( -3.911 9.079 -5.314) 11.224 11.257 ( 6.284 2.775 -8.949) 11.282 11.401 ( -2.396 1.932 -13.272) 13.624 11.552 ( 0.952 1.344 2.207) 2.754 11.583 ( -1.863 1.211 5.045) 5.513 11.872 ( -0.820 -7.701 -2.139) 8.035 11.897 ( -2.147 -8.902 -2.330) 9.449 12.182 ( 6.323 -5.448 1.948) 8.571 12.341 ( -6.700 -3.192 2.604) 7.866 12.806 ( 2.532 -3.919 -1.825) 5.010 12.857 ( -1.588 -0.578 -2.933) 3.384 12.988 ( 2.505 1.939 -5.377) 6.240 13.073 ( -2.609 0.831 -2.760) 3.888 13.088 ( 1.855 0.394 -2.373) 3.038 13.130 ( -0.790 -0.332 -1.356) 1.604 13.749 ( 2.430 9.313 1.817) 9.795 13.827 ( -3.519 8.925 -4.233) 10.486 14.426 ( 0.376 -0.310 -4.708) 4.733 14.453 ( -1.691 -2.973 -4.049) 5.300 14.540 ( 1.227 -9.197 -3.787) 10.022 14.551 ( 0.367 -10.653 -4.314) 11.500 14.772 ( 5.377 -4.177 -10.961) 12.904 14.904 ( -4.837 -7.191 -13.808) 16.303 16.565 ( 5.258 4.710 -0.290) 7.065 16.699 ( -4.763 3.666 1.007) 6.095 17.033 ( 9.264 7.243 -11.984) 16.790 17.329 ( -13.100 -1.771 -2.570) 13.466 17.527 ( 7.719 -13.531 3.740) 16.020 17.729 ( -9.579 -9.092 -1.444) 13.285 18.372 ( 11.707 0.294 -13.812) 18.108 18.564 ( -4.843 0.706 -11.450) 12.452 19.984 ( 15.612 12.465 25.120) 32.096 20.463 ( -18.312 -0.496 21.389) 28.161 20.631 ( 4.115 -4.356 12.137) 13.536 20.904 ( -17.340 1.254 9.345) 19.738 21.594 ( 7.069 -4.635 8.313) 11.856 21.739 ( -3.973 -2.771 4.918) 6.903 22.458 ( 21.295 -8.963 -8.847) 24.740 22.819 ( -9.252 -14.139 -9.264) 19.270 24.411 ( 5.446 -6.139 2.715) 8.644 24.546 ( -4.702 -2.810 -0.689) 5.521 24.635 ( 5.306 3.765 -4.603) 7.970 24.830 ( -9.489 -3.433 -3.602) 10.715 25.649 ( 4.468 7.703 1.117) 8.975 25.756 ( -4.118 3.949 0.426) 5.721 26.260 ( 5.480 -4.058 -10.547) 12.560 26.374 ( -3.617 -5.910 -9.172) 11.495 ======================= Grid point 90 (37/60) ======================= q-point: ( 0.00 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( 0.000 13.336 21.763) 25.524 2.896 ( 0.000 12.322 15.083) 19.477 3.010 ( 0.000 10.625 5.371) 11.905 3.217 ( 0.000 4.843 17.434) 18.095 3.285 ( 0.000 13.170 19.036) 23.148 3.749 ( 0.000 -4.944 -0.174) 4.947 3.820 ( 0.000 4.238 5.769) 7.158 3.827 ( 0.000 6.650 8.829) 11.053 4.117 ( 0.000 -0.719 7.047) 7.084 4.315 ( 0.000 -9.982 11.955) 15.574 4.444 ( 0.000 10.625 -25.990) 28.078 4.531 ( 0.000 -3.412 4.368) 5.543 4.594 ( 0.000 -1.894 8.246) 8.461 4.989 ( 0.000 3.357 0.372) 3.377 5.040 ( 0.000 -5.010 -9.728) 10.942 5.279 ( 0.000 0.354 -13.983) 13.988 5.543 ( 0.000 -1.633 4.763) 5.035 5.652 ( 0.000 -1.052 -10.429) 10.482 5.823 ( 0.000 15.843 4.912) 16.587 5.870 ( 0.000 3.749 -13.247) 13.767 6.037 ( 0.000 1.246 -5.167) 5.315 6.156 ( 0.000 2.484 8.609) 8.960 6.298 ( 0.000 1.387 1.398) 1.969 6.442 ( 0.000 7.679 -3.708) 8.528 6.481 ( 0.000 11.178 -1.913) 11.341 6.650 ( 0.000 -0.815 11.144) 11.173 6.727 ( 0.000 6.476 4.177) 7.706 6.745 ( 0.000 -3.967 -6.852) 7.918 6.946 ( 0.000 -5.279 -2.045) 5.661 6.988 ( 0.000 1.892 5.900) 6.196 7.151 ( 0.000 -3.922 -5.665) 6.890 7.197 ( 0.000 5.121 -3.628) 6.276 7.328 ( 0.000 4.334 -0.042) 4.334 7.410 ( 0.000 6.866 -3.788) 7.841 7.457 ( 0.000 8.215 1.411) 8.335 7.739 ( 0.000 -10.756 2.140) 10.967 7.828 ( 0.000 -1.784 6.735) 6.967 7.953 ( 0.000 2.656 -11.497) 11.800 7.992 ( 0.000 -1.616 0.947) 1.873 8.045 ( 0.000 -6.497 0.919) 6.561 8.150 ( 0.000 -6.077 0.552) 6.102 8.214 ( 0.000 0.592 -8.086) 8.108 8.526 ( 0.000 2.024 10.557) 10.749 8.654 ( 0.000 5.065 0.144) 5.067 8.849 ( 0.000 9.390 -3.557) 10.041 9.145 ( 0.000 8.679 19.016) 20.903 9.244 ( 0.000 -5.181 7.974) 9.509 9.304 ( 0.000 -1.426 12.705) 12.785 9.431 ( 0.000 2.165 3.494) 4.111 9.505 ( 0.000 -11.437 -14.939) 18.815 9.647 ( 0.000 -0.499 -7.378) 7.395 9.764 ( 0.000 0.443 9.865) 9.875 9.859 ( 0.000 5.610 3.502) 6.613 9.966 ( 0.000 2.385 -2.183) 3.233 9.998 ( 0.000 2.684 12.108) 12.402 10.312 ( 0.000 2.504 -3.022) 3.924 10.460 ( 0.000 -9.315 -0.810) 9.350 10.502 ( 0.000 10.057 -2.973) 10.487 10.740 ( 0.000 -0.424 -4.872) 4.890 10.742 ( 0.000 9.035 4.170) 9.951 10.825 ( 0.000 4.538 2.531) 5.197 11.038 ( 0.000 2.553 -11.520) 11.800 11.350 ( 0.000 -1.826 -10.180) 10.342 11.369 ( 0.000 5.915 -5.959) 8.396 11.506 ( 0.000 -0.368 8.039) 8.048 11.621 ( 0.000 -1.664 5.513) 5.759 11.737 ( 0.000 -6.717 -6.082) 9.062 11.793 ( 0.000 -6.665 0.591) 6.691 12.071 ( 0.000 2.015 2.146) 2.943 12.517 ( 0.000 5.664 1.471) 5.852 12.581 ( 0.000 -11.787 3.256) 12.228 12.851 ( 0.000 -3.196 -0.200) 3.203 12.968 ( 0.000 -1.349 3.029) 3.315 13.032 ( 0.000 0.809 -2.641) 2.762 13.037 ( 0.000 -4.715 1.480) 4.942 13.162 ( 0.000 0.057 0.758) 0.760 13.903 ( 0.000 8.352 -3.243) 8.960 14.080 ( 0.000 10.000 -16.292) 19.116 14.236 ( 0.000 -11.887 -1.485) 11.979 14.357 ( 0.000 -7.602 -9.818) 12.417 14.409 ( 0.000 -1.526 -7.544) 7.697 14.514 ( 0.000 1.497 -8.670) 8.798 14.659 ( 0.000 -2.075 -12.739) 12.907 14.771 ( 0.000 -10.757 -17.148) 20.243 16.617 ( 0.000 7.020 0.971) 7.087 16.814 ( 0.000 4.968 0.001) 4.968 17.160 ( 0.000 -12.203 2.140) 12.390 17.188 ( 0.000 13.042 -9.077) 15.889 17.266 ( 0.000 -11.014 12.460) 16.630 17.941 ( 0.000 -10.421 -9.468) 14.080 18.107 ( 0.000 8.620 -23.430) 24.965 18.575 ( 0.000 -4.634 -15.163) 15.856 20.130 ( 0.000 16.342 24.832) 29.727 20.418 ( 0.000 -2.654 21.895) 22.055 20.626 ( 0.000 -7.729 21.432) 22.783 21.061 ( 0.000 -13.904 25.851) 29.353 21.570 ( 0.000 2.553 -5.116) 5.717 21.675 ( 0.000 -1.049 0.661) 1.240 22.128 ( 0.000 5.072 -3.272) 6.036 22.655 ( 0.000 -12.347 -5.458) 13.500 24.200 ( 0.000 -5.385 7.252) 9.033 24.415 ( 0.000 -12.407 5.637) 13.628 24.733 ( 0.000 7.593 -10.440) 12.909 24.927 ( 0.000 -0.125 -9.991) 9.992 25.755 ( 0.000 7.309 -1.058) 7.386 25.830 ( 0.000 0.890 -0.366) 0.962 26.135 ( 0.000 -2.450 -10.238) 10.527 26.289 ( 0.000 -6.559 -8.314) 10.590 ======================= Grid point 91 (38/60) ======================= q-point: ( 0.33 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( 3.905 13.527 21.028) 25.306 2.902 ( 0.601 11.799 16.360) 20.180 2.977 ( -0.331 11.653 11.326) 16.254 3.104 ( -8.407 5.635 17.552) 20.261 3.373 ( 7.436 13.453 13.048) 20.163 3.576 ( -9.298 6.577 8.846) 14.421 3.889 ( 3.202 -0.892 0.919) 3.449 3.904 ( 2.440 -0.439 -0.168) 2.485 4.182 ( 2.924 -3.957 7.126) 8.660 4.263 ( -3.948 -6.532 9.917) 12.514 4.509 ( 8.167 7.045 -11.256) 15.590 4.575 ( 2.137 -0.448 1.002) 2.402 4.594 ( 0.203 -1.879 6.932) 7.185 4.796 ( -12.799 3.529 -4.816) 14.123 5.093 ( 4.356 -5.628 -9.537) 11.899 5.219 ( -5.225 -3.271 -11.626) 13.159 5.641 ( 3.778 1.438 -5.518) 6.840 5.679 ( 1.279 0.442 -4.642) 4.836 5.845 ( 3.357 9.070 3.231) 10.196 5.903 ( 3.611 2.508 -3.923) 5.892 5.972 ( -4.177 5.680 -6.013) 9.267 6.107 ( -6.206 -0.016 0.789) 6.256 6.297 ( 4.982 9.163 2.938) 10.835 6.391 ( -2.978 11.605 0.287) 11.985 6.522 ( -3.639 -0.899 -0.906) 3.856 6.597 ( -3.937 1.680 4.546) 6.244 6.731 ( 6.841 5.188 -0.134) 8.587 6.823 ( 0.770 1.959 5.907) 6.271 6.976 ( 1.633 5.020 -0.063) 5.279 7.061 ( -1.944 2.465 -5.175) 6.053 7.096 ( 6.583 -4.362 -1.968) 8.139 7.276 ( 5.976 1.166 -2.306) 6.511 7.309 ( -3.367 -0.531 -3.844) 5.138 7.459 ( -1.278 3.362 2.956) 4.656 7.540 ( 4.490 4.708 2.678) 7.035 7.655 ( -5.232 -0.049 5.653) 7.703 7.741 ( 0.104 -5.987 1.131) 6.093 7.798 ( -7.788 0.657 2.684) 8.264 7.921 ( -0.806 -2.107 -9.381) 9.648 8.002 ( -5.246 -9.098 -5.515) 11.862 8.250 ( 1.198 0.217 -1.239) 1.737 8.332 ( -0.418 7.552 0.803) 7.606 8.412 ( 6.330 -1.612 -1.527) 6.708 8.675 ( -8.673 2.810 0.335) 9.123 8.929 ( 13.237 1.691 10.222) 16.810 9.165 ( -5.430 -1.011 9.636) 11.107 9.173 ( -0.543 -0.049 1.133) 1.258 9.225 ( -1.524 -0.173 5.227) 5.447 9.456 ( -1.553 -4.126 1.487) 4.653 9.494 ( -3.944 -1.529 2.980) 5.174 9.774 ( 6.243 4.271 15.395) 17.153 9.798 ( 5.159 0.097 0.662) 5.202 9.831 ( 2.099 1.320 -7.754) 8.141 9.962 ( -3.327 5.591 9.627) 11.619 10.138 ( 8.526 3.586 2.567) 9.599 10.273 ( -2.548 3.518 -0.495) 4.372 10.437 ( -1.609 -2.746 -9.302) 9.831 10.482 ( -2.151 3.718 -8.671) 9.676 10.620 ( -4.606 -1.043 -2.087) 5.163 10.640 ( -4.060 4.491 4.527) 7.559 10.973 ( 7.449 7.409 0.445) 10.515 11.115 ( -1.746 6.177 -4.947) 8.104 11.272 ( 3.561 -1.117 -7.511) 8.387 11.404 ( -3.016 -1.654 -11.739) 12.233 11.543 ( 2.672 -1.156 7.844) 8.367 11.601 ( -1.882 0.012 5.556) 5.866 11.735 ( 0.650 -5.554 -2.801) 6.254 11.765 ( -1.726 -4.267 1.105) 4.734 12.131 ( 5.230 -0.244 1.409) 5.422 12.314 ( -9.837 -0.940 2.485) 10.189 12.715 ( 5.173 -4.284 0.511) 6.736 12.814 ( -3.280 -3.222 -0.078) 4.598 12.973 ( 1.588 -2.385 0.722) 2.955 13.014 ( -1.155 -4.510 2.284) 5.186 13.097 ( 2.821 0.765 -0.170) 2.928 13.147 ( -1.366 0.485 0.659) 1.592 13.927 ( 2.362 7.347 -5.162) 9.285 14.011 ( -4.302 7.047 -10.801) 13.595 14.291 ( 3.128 -7.706 -5.379) 9.905 14.350 ( -1.559 -6.395 -8.572) 10.808 14.425 ( 2.075 -1.809 -8.091) 8.546 14.482 ( -2.277 -0.143 -9.003) 9.288 14.697 ( 2.571 -3.599 -14.076) 14.755 14.752 ( -1.731 -7.956 -16.554) 18.448 16.657 ( 3.236 4.418 2.471) 6.008 16.751 ( -4.284 1.682 3.657) 5.879 17.201 ( 2.808 8.444 -10.695) 13.913 17.250 ( -0.627 -5.372 4.794) 7.227 17.315 ( 9.246 -7.226 3.061) 12.127 17.623 ( -15.873 -3.002 -9.879) 18.935 18.359 ( 10.644 -0.820 -18.170) 21.074 18.530 ( -4.177 -3.627 -16.038) 16.965 20.213 ( 7.394 9.880 25.257) 28.111 20.450 ( -11.075 -1.263 24.938) 27.316 20.556 ( 10.512 -1.684 19.019) 21.796 20.880 ( -14.771 -3.711 21.832) 26.619 21.540 ( 4.921 -0.752 -0.850) 5.050 21.681 ( -4.469 -3.074 1.538) 5.638 22.342 ( 13.163 -3.113 -5.187) 14.487 22.583 ( -6.590 -10.255 -5.699) 13.456 24.254 ( 4.239 -6.972 6.866) 10.664 24.363 ( -4.157 -10.503 6.021) 12.800 24.767 ( 2.965 6.201 -10.120) 12.234 24.862 ( -4.548 2.562 -9.955) 11.241 25.778 ( 1.603 5.635 -0.933) 5.933 25.814 ( -1.251 2.472 -0.590) 2.832 26.180 ( 3.335 -3.993 -9.735) 11.038 26.257 ( -2.679 -5.896 -8.795) 10.922 ======================= Grid point 93 (39/60) ======================= q-point: ( 0.00 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( 0.000 8.489 16.566) 18.614 3.071 ( 0.000 5.020 12.607) 13.570 3.170 ( 0.000 4.588 5.703) 7.320 3.215 ( 0.000 -1.703 10.636) 10.771 3.569 ( 0.000 9.972 11.592) 15.291 3.653 ( 0.000 -3.433 3.071) 4.606 3.865 ( 0.000 3.030 9.761) 10.221 3.931 ( 0.000 1.671 13.318) 13.422 4.090 ( 0.000 -1.158 11.812) 11.869 4.151 ( 0.000 -6.473 10.931) 12.703 4.506 ( 0.000 0.026 13.539) 13.539 4.531 ( 0.000 -3.032 17.849) 18.105 4.665 ( 0.000 11.740 -22.581) 25.450 4.885 ( 0.000 -10.354 -16.290) 19.302 5.097 ( 0.000 7.643 -13.761) 15.741 5.237 ( 0.000 -5.296 -17.456) 18.242 5.517 ( 0.000 0.967 -5.038) 5.130 5.585 ( 0.000 -4.834 -8.644) 9.904 5.959 ( 0.000 5.111 -2.421) 5.655 6.019 ( 0.000 2.060 1.878) 2.788 6.058 ( 0.000 1.167 -7.312) 7.404 6.101 ( 0.000 -4.531 2.202) 5.038 6.430 ( 0.000 9.855 0.479) 9.866 6.599 ( 0.000 -6.873 2.463) 7.301 6.676 ( 0.000 5.628 2.004) 5.974 6.708 ( 0.000 15.056 3.533) 15.465 6.747 ( 0.000 7.313 0.083) 7.313 6.777 ( 0.000 -2.723 5.056) 5.743 6.897 ( 0.000 6.009 -1.401) 6.170 7.002 ( 0.000 0.954 4.654) 4.751 7.087 ( 0.000 -4.279 -0.379) 4.295 7.254 ( 0.000 -7.753 -2.555) 8.163 7.290 ( 0.000 -12.303 1.882) 12.446 7.316 ( 0.000 -3.260 -2.271) 3.973 7.610 ( 0.000 5.814 -0.773) 5.865 7.635 ( 0.000 2.826 -0.404) 2.855 7.837 ( 0.000 3.077 3.380) 4.571 7.918 ( 0.000 -4.296 -6.032) 7.405 7.996 ( 0.000 0.465 -0.786) 0.913 8.046 ( 0.000 -4.439 0.627) 4.483 8.075 ( 0.000 6.386 -2.973) 7.044 8.182 ( 0.000 -3.890 -6.853) 7.880 8.616 ( 0.000 6.207 6.086) 8.693 8.700 ( 0.000 -1.149 2.345) 2.612 9.018 ( 0.000 8.587 -9.393) 12.727 9.186 ( 0.000 -6.888 4.138) 8.036 9.200 ( 0.000 0.337 3.931) 3.945 9.255 ( 0.000 -5.453 -9.366) 10.837 9.401 ( 0.000 5.482 11.686) 12.908 9.466 ( 0.000 0.276 12.179) 12.182 9.681 ( 0.000 3.609 4.770) 5.981 9.744 ( 0.000 -2.072 13.931) 14.084 9.913 ( 0.000 0.266 3.249) 3.260 9.948 ( 0.000 -3.483 -3.786) 5.144 10.095 ( 0.000 7.518 10.201) 12.672 10.263 ( 0.000 -9.389 2.444) 9.702 10.446 ( 0.000 9.122 0.527) 9.137 10.614 ( 0.000 -5.830 4.072) 7.111 10.729 ( 0.000 7.657 -14.439) 16.343 10.842 ( 0.000 -0.554 -5.211) 5.240 10.944 ( 0.000 5.404 0.906) 5.479 11.021 ( 0.000 -3.241 -4.609) 5.634 11.368 ( 0.000 3.657 -9.138) 9.843 11.430 ( 0.000 -0.548 -6.649) 6.672 11.516 ( 0.000 1.610 8.181) 8.338 11.568 ( 0.000 -3.214 7.596) 8.248 11.668 ( 0.000 -0.812 -2.412) 2.545 11.692 ( 0.000 -3.286 1.932) 3.812 12.153 ( 0.000 6.785 3.525) 7.646 12.340 ( 0.000 -12.015 4.950) 12.995 12.634 ( 0.000 6.310 1.575) 6.503 12.757 ( 0.000 -6.075 1.734) 6.317 12.984 ( 0.000 0.441 2.281) 2.324 13.008 ( 0.000 4.455 3.364) 5.582 13.017 ( 0.000 -2.129 0.903) 2.313 13.115 ( 0.000 -4.889 2.781) 5.625 14.015 ( 0.000 3.149 -4.654) 5.619 14.073 ( 0.000 -4.726 -3.296) 5.762 14.209 ( 0.000 3.380 -16.098) 16.449 14.257 ( 0.000 -2.949 -13.654) 13.969 14.429 ( 0.000 4.499 -13.987) 14.693 14.558 ( 0.000 2.973 -11.173) 11.562 14.569 ( 0.000 -9.173 -17.048) 19.359 14.617 ( 0.000 -2.864 -14.109) 14.397 16.765 ( 0.000 8.373 1.779) 8.559 16.929 ( 0.000 6.857 4.504) 8.204 16.944 ( 0.000 -10.140 1.825) 10.303 17.078 ( 0.000 -8.562 9.157) 12.537 17.449 ( 0.000 13.729 -10.525) 17.299 17.711 ( 0.000 -13.007 -10.900) 16.970 18.282 ( 0.000 9.204 -21.758) 23.624 18.451 ( 0.000 -7.857 -18.953) 20.517 20.376 ( 0.000 5.553 19.728) 20.495 20.393 ( 0.000 -0.077 23.027) 23.027 20.566 ( 0.000 5.286 32.104) 32.536 20.788 ( 0.000 -13.852 28.953) 32.096 21.615 ( 0.000 2.030 -4.841) 5.250 21.650 ( 0.000 -1.583 -2.657) 3.093 22.258 ( 0.000 8.119 -2.790) 8.585 22.436 ( 0.000 -10.242 -3.628) 10.866 24.151 ( 0.000 0.507 8.125) 8.141 24.223 ( 0.000 -6.939 7.603) 10.294 24.846 ( 0.000 4.300 -11.365) 12.151 24.907 ( 0.000 -2.100 -11.666) 11.853 25.855 ( 0.000 1.462 -1.306) 1.960 25.855 ( 0.000 2.442 -1.700) 2.975 26.108 ( 0.000 0.681 -9.419) 9.444 26.172 ( 0.000 -5.249 -8.577) 10.055 ======================= Grid point 94 (40/60) ======================= q-point: ( 0.33 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.050 ( 1.557 5.039 14.439) 15.372 3.103 ( -1.008 5.697 12.652) 13.912 3.131 ( 0.942 4.632 10.077) 11.130 3.195 ( -2.242 3.011 10.678) 11.318 3.592 ( 1.719 6.403 9.218) 11.354 3.634 ( -1.612 -0.067 5.181) 5.427 3.880 ( 2.038 2.825 11.392) 11.912 3.929 ( -1.115 0.557 13.202) 13.261 4.114 ( 1.577 -1.915 8.928) 9.266 4.147 ( -0.870 -4.295 9.420) 10.390 4.522 ( 1.256 -1.469 15.076) 15.199 4.534 ( 0.159 -2.905 17.459) 17.700 4.721 ( 4.975 10.078 -20.314) 23.216 4.902 ( -6.888 3.180 -21.652) 22.943 4.943 ( 0.887 -5.197 -11.238) 12.413 5.100 ( -8.728 -8.049 -16.430) 20.271 5.664 ( 6.809 0.950 -5.603) 8.869 5.679 ( 4.480 -0.432 -7.446) 8.700 5.949 ( 0.261 3.769 2.432) 4.493 5.991 ( -2.802 3.624 4.467) 6.399 6.044 ( 0.599 2.252 -9.216) 9.506 6.098 ( -0.664 -1.509 -5.631) 5.868 6.386 ( -3.252 1.054 -1.911) 3.917 6.450 ( -8.298 -3.640 -1.082) 9.126 6.625 ( 1.864 4.748 8.619) 10.015 6.673 ( -1.600 6.776 9.787) 12.011 6.863 ( 6.394 7.363 0.886) 9.792 6.904 ( 0.227 5.907 3.647) 6.946 6.979 ( 9.406 -1.146 0.071) 9.476 7.048 ( 0.990 0.965 0.324) 1.420 7.073 ( 1.505 -3.103 -0.820) 3.545 7.272 ( -4.887 -5.558 -2.831) 7.924 7.334 ( 6.429 0.382 2.156) 6.791 7.438 ( 5.072 -0.485 -6.203) 8.027 7.613 ( -0.999 1.520 0.930) 2.043 7.651 ( 0.776 -0.239 -0.803) 1.142 7.695 ( -5.863 2.377 2.900) 6.959 7.826 ( -10.515 -4.460 -2.891) 11.782 7.847 ( -1.421 -1.352 -4.065) 4.513 7.878 ( -3.648 -0.508 -5.062) 6.260 8.223 ( 6.118 -1.378 2.161) 6.633 8.393 ( 8.031 -0.607 -3.741) 8.880 8.466 ( -6.492 4.280 -1.001) 7.840 8.704 ( -8.161 0.571 -0.195) 8.184 8.984 ( 7.068 3.284 4.153) 8.831 9.087 ( -3.514 -3.566 -0.817) 5.072 9.152 ( -3.272 -0.488 8.712) 9.319 9.296 ( -5.692 -0.920 10.331) 11.831 9.392 ( 5.327 1.237 0.068) 5.469 9.465 ( -2.368 -1.181 2.161) 3.417 9.805 ( 3.847 1.335 3.412) 5.313 9.842 ( 1.846 1.593 8.118) 8.476 9.918 ( 8.529 5.809 4.677) 11.330 10.029 ( 0.483 -0.819 10.373) 10.416 10.124 ( 5.232 -0.984 -2.012) 5.691 10.289 ( -2.754 -5.417 6.108) 8.616 10.417 ( 1.122 7.313 -6.108) 9.594 10.536 ( -6.673 -3.460 -5.128) 9.099 10.662 ( -0.886 6.403 -2.427) 6.905 10.722 ( -5.413 1.406 -2.145) 5.990 11.071 ( 7.495 2.543 0.328) 7.921 11.145 ( 5.483 -2.504 -9.083) 10.901 11.281 ( -4.454 3.293 -2.646) 6.138 11.356 ( -6.035 -2.978 -7.058) 9.752 11.530 ( 1.066 -0.031 8.006) 8.077 11.569 ( -1.113 -2.321 7.264) 7.706 11.683 ( 2.536 -0.599 -2.485) 3.601 11.721 ( 0.003 -0.819 -0.611) 1.022 12.159 ( 2.502 2.634 3.359) 4.947 12.271 ( -5.301 -3.149 5.202) 8.067 12.678 ( 2.834 0.815 1.495) 3.306 12.738 ( -1.919 -4.302 1.623) 4.983 12.950 ( -0.039 -0.548 1.659) 1.748 12.976 ( -1.362 1.435 1.402) 2.425 13.092 ( 2.418 -0.747 2.818) 3.788 13.118 ( -0.065 -2.917 3.027) 4.204 13.990 ( -0.135 -0.048 -4.878) 4.880 14.031 ( -3.004 -1.846 -7.089) 7.917 14.267 ( 3.348 2.404 -12.746) 13.396 14.297 ( 1.433 -0.495 -13.623) 13.707 14.427 ( 0.575 2.611 -11.636) 11.939 14.482 ( -3.536 -0.800 -11.316) 11.882 14.614 ( 2.051 -4.502 -16.978) 17.684 14.640 ( 0.280 -2.543 -16.727) 16.922 16.728 ( -1.278 2.819 4.979) 5.862 16.763 ( -4.670 -0.485 5.935) 7.567 17.139 ( 7.877 -3.318 2.779) 8.988 17.214 ( 6.437 -2.224 8.572) 10.948 17.400 ( -1.623 8.428 -14.302) 16.680 17.556 ( -10.268 -4.663 -11.961) 16.439 18.370 ( 4.952 2.245 -20.089) 20.812 18.444 ( -1.236 -4.688 -18.989) 19.598 20.329 ( 0.773 2.400 22.807) 22.946 20.410 ( -4.864 -1.805 22.966) 23.545 20.609 ( 7.979 5.461 28.217) 29.828 20.780 ( -3.999 -5.693 29.910) 30.708 21.549 ( 0.157 0.943 -5.470) 5.553 21.629 ( -4.230 -1.840 -1.844) 4.968 22.330 ( 5.087 1.560 -3.677) 6.468 22.424 ( -2.037 -5.934 -3.644) 7.255 24.172 ( 1.578 -1.299 8.003) 8.260 24.209 ( -1.234 -4.978 7.759) 9.301 24.852 ( 0.836 2.688 -11.138) 11.488 24.885 ( -1.628 -0.112 -11.359) 11.476 25.857 ( 0.292 1.685 -1.565) 2.318 25.861 ( 0.076 2.448 -1.564) 2.906 26.123 ( 1.305 -1.259 -9.279) 9.454 26.158 ( -1.259 -3.827 -8.917) 9.785 ======================= Grid point 108 (41/60) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( 0.000 0.000 13.453) 13.453 2.812 ( 0.000 0.000 24.907) 24.907 2.842 ( 0.000 0.000 10.693) 10.693 2.972 ( 0.000 0.000 15.834) 15.834 3.190 ( 0.000 0.000 -20.569) 20.569 3.372 ( 0.000 0.000 7.433) 7.433 3.417 ( 0.000 0.000 -24.210) 24.210 3.572 ( 0.000 0.000 -1.214) 1.214 3.956 ( 0.000 0.000 8.674) 8.674 4.239 ( 0.000 0.000 11.208) 11.208 4.654 ( 0.000 0.000 -9.320) 9.320 4.668 ( 0.000 0.000 -9.280) 9.280 4.761 ( 0.000 0.000 -0.239) 0.239 4.829 ( 0.000 0.000 -0.214) 0.214 5.042 ( 0.000 0.000 8.272) 8.272 5.208 ( 0.000 0.000 -0.169) 0.169 5.229 ( 0.000 0.000 -12.793) 12.793 5.328 ( 0.000 0.000 -10.016) 10.016 5.668 ( 0.000 0.000 10.500) 10.500 5.775 ( 0.000 0.000 7.307) 7.307 6.010 ( 0.000 0.000 1.387) 1.387 6.042 ( 0.000 0.000 -3.112) 3.112 6.077 ( 0.000 0.000 -3.555) 3.555 6.182 ( 0.000 0.000 -7.037) 7.037 6.488 ( 0.000 0.000 17.948) 17.948 6.632 ( 0.000 0.000 22.241) 22.241 6.641 ( 0.000 0.000 4.226) 4.226 6.723 ( 0.000 0.000 5.521) 5.521 6.890 ( 0.000 0.000 8.674) 8.674 7.020 ( 0.000 0.000 -6.882) 6.882 7.128 ( 0.000 0.000 4.611) 4.611 7.205 ( 0.000 0.000 -4.246) 4.246 7.403 ( 0.000 0.000 6.166) 6.166 7.506 ( 0.000 0.000 -3.915) 3.915 7.578 ( 0.000 0.000 -5.824) 5.824 7.593 ( 0.000 0.000 -0.548) 0.548 7.641 ( 0.000 0.000 -2.748) 2.748 7.773 ( 0.000 0.000 -8.929) 8.929 7.851 ( 0.000 0.000 -14.186) 14.186 7.855 ( 0.000 0.000 0.103) 0.103 8.223 ( 0.000 0.000 9.939) 9.939 8.329 ( 0.000 0.000 -1.944) 1.944 8.576 ( 0.000 0.000 -11.507) 11.507 8.612 ( 0.000 0.000 -3.160) 3.160 8.945 ( 0.000 0.000 3.577) 3.577 9.081 ( 0.000 0.000 -5.471) 5.471 9.246 ( 0.000 0.000 8.849) 8.849 9.346 ( 0.000 0.000 10.597) 10.597 9.605 ( 0.000 0.000 0.762) 0.762 9.638 ( 0.000 0.000 -6.951) 6.951 9.783 ( 0.000 0.000 2.927) 2.927 9.845 ( 0.000 0.000 1.957) 1.957 9.937 ( 0.000 0.000 10.095) 10.095 10.076 ( 0.000 0.000 6.482) 6.482 10.155 ( 0.000 0.000 0.335) 0.335 10.199 ( 0.000 0.000 12.519) 12.519 10.243 ( 0.000 0.000 -7.226) 7.226 10.340 ( 0.000 0.000 -9.198) 9.198 10.431 ( 0.000 0.000 -10.233) 10.233 10.465 ( 0.000 0.000 -1.470) 1.470 10.524 ( 0.000 0.000 -1.920) 1.920 10.761 ( 0.000 0.000 -9.624) 9.624 10.762 ( 0.000 0.000 2.269) 2.269 11.168 ( 0.000 0.000 -14.864) 14.864 11.573 ( 0.000 0.000 1.982) 1.982 11.580 ( 0.000 0.000 5.335) 5.335 11.799 ( 0.000 0.000 -8.261) 8.261 12.002 ( 0.000 0.000 -14.074) 14.074 12.525 ( 0.000 0.000 -4.647) 4.647 12.569 ( 0.000 0.000 -6.915) 6.915 12.625 ( 0.000 0.000 1.760) 1.760 12.725 ( 0.000 0.000 7.267) 7.267 12.814 ( 0.000 0.000 1.656) 1.656 12.822 ( 0.000 0.000 -3.045) 3.045 12.897 ( 0.000 0.000 -8.542) 8.542 12.904 ( 0.000 0.000 -6.014) 6.014 13.814 ( 0.000 0.000 11.400) 11.400 14.077 ( 0.000 0.000 11.779) 11.779 14.218 ( 0.000 0.000 -8.253) 8.253 14.442 ( 0.000 0.000 -5.410) 5.410 14.777 ( 0.000 0.000 2.414) 2.414 14.790 ( 0.000 0.000 0.981) 0.981 14.886 ( 0.000 0.000 -0.378) 0.378 14.891 ( 0.000 0.000 -6.222) 6.222 16.385 ( 0.000 0.000 0.682) 0.682 16.546 ( 0.000 0.000 -7.934) 7.934 16.715 ( 0.000 0.000 7.895) 7.895 17.352 ( 0.000 0.000 -22.307) 22.307 17.856 ( 0.000 0.000 -0.368) 0.368 17.893 ( 0.000 0.000 -0.621) 0.621 18.313 ( 0.000 0.000 1.177) 1.177 18.400 ( 0.000 0.000 -0.914) 0.914 19.892 ( 0.000 0.000 24.576) 24.576 20.662 ( 0.000 0.000 -13.974) 13.974 20.858 ( 0.000 0.000 10.887) 10.887 21.194 ( 0.000 0.000 -5.574) 5.574 21.888 ( 0.000 0.000 1.937) 1.937 21.997 ( 0.000 0.000 -6.198) 6.198 22.117 ( 0.000 0.000 20.750) 20.750 22.983 ( 0.000 0.000 -23.225) 23.225 24.182 ( 0.000 0.000 9.063) 9.063 24.596 ( 0.000 0.000 -10.333) 10.333 24.718 ( 0.000 0.000 11.296) 11.296 25.236 ( 0.000 0.000 -15.070) 15.070 25.467 ( 0.000 0.000 11.680) 11.680 25.835 ( 0.000 0.000 14.009) 14.009 25.954 ( 0.000 0.000 -12.648) 12.648 26.354 ( 0.000 0.000 -11.769) 11.769 ======================= Grid point 109 (42/60) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 2.677 ( 2.873 0.000 15.386) 15.651 2.775 ( -4.705 0.000 13.317) 14.124 2.919 ( 8.780 0.000 21.527) 23.249 3.102 ( 9.895 0.000 9.645) 13.818 3.173 ( -9.958 0.000 6.085) 11.670 3.260 ( 1.934 0.000 -13.703) 13.839 3.362 ( -4.449 0.000 -23.299) 23.720 3.375 ( -12.313 0.000 2.625) 12.589 4.168 ( 14.311 0.000 4.787) 15.090 4.371 ( 9.101 0.000 6.467) 11.164 4.538 ( -15.638 0.000 1.821) 15.743 4.574 ( -6.946 0.000 -0.376) 6.956 4.786 ( 8.315 0.000 -8.614) 11.973 4.857 ( 3.102 0.000 -8.452) 9.003 4.959 ( -4.927 0.000 -5.222) 7.179 4.998 ( -9.221 0.000 -7.183) 11.688 5.402 ( 11.293 0.000 2.284) 11.521 5.553 ( 8.042 0.000 -0.185) 8.044 5.656 ( -1.686 0.000 7.027) 7.227 5.656 ( -9.159 0.000 7.068) 11.569 6.052 ( 3.824 0.000 0.859) 3.919 6.080 ( 2.742 0.000 -2.403) 3.646 6.114 ( 0.698 0.000 -3.771) 3.836 6.148 ( -2.621 0.000 -4.505) 5.212 6.476 ( -2.827 0.000 14.397) 14.672 6.556 ( 5.490 0.000 14.082) 15.114 6.582 ( -7.391 0.000 12.723) 14.714 6.721 ( -7.976 0.000 10.271) 13.004 6.841 ( 8.404 0.000 -1.521) 8.541 7.054 ( -5.433 0.000 0.145) 5.435 7.209 ( 2.512 0.000 0.486) 2.559 7.250 ( 0.832 0.000 -0.630) 1.043 7.389 ( 2.490 0.000 -3.755) 4.506 7.479 ( 3.150 0.000 -10.574) 11.034 7.494 ( -4.703 0.000 -6.164) 7.753 7.692 ( 13.517 0.000 6.298) 14.912 7.699 ( -10.508 0.000 -11.761) 15.772 7.800 ( 11.108 0.000 -3.029) 11.513 7.920 ( 6.931 0.000 0.988) 7.001 8.020 ( 0.271 0.000 1.307) 1.335 8.067 ( -9.640 0.000 5.450) 11.074 8.200 ( -9.685 0.000 -1.008) 9.737 8.354 ( -1.883 0.000 -3.544) 4.013 8.535 ( -9.588 0.000 -0.292) 9.593 9.150 ( 10.806 0.000 -5.817) 12.273 9.191 ( 8.182 0.000 -5.077) 9.629 9.303 ( -0.110 0.000 2.349) 2.352 9.360 ( -3.198 0.000 3.966) 5.094 9.596 ( 2.807 0.000 1.586) 3.224 9.621 ( 1.960 0.000 -2.890) 3.492 9.723 ( -5.223 0.000 4.664) 7.002 9.742 ( -5.495 0.000 5.033) 7.452 10.071 ( -0.081 0.000 7.993) 7.993 10.081 ( 8.041 0.000 7.326) 10.878 10.099 ( -3.068 0.000 7.188) 7.815 10.205 ( 3.697 0.000 -1.177) 3.879 10.300 ( -5.987 0.000 -3.747) 7.062 10.308 ( -6.954 0.000 -4.694) 8.390 10.336 ( 3.506 0.000 2.065) 4.069 10.401 ( -2.216 0.000 -0.611) 2.299 10.605 ( 5.542 0.000 -10.052) 11.478 10.721 ( -3.641 0.000 -4.604) 5.870 10.884 ( 7.710 0.000 -10.973) 13.410 11.067 ( -7.287 0.000 -13.512) 15.351 11.574 ( 1.152 0.000 6.421) 6.523 11.599 ( -0.166 0.000 5.840) 5.842 11.866 ( 4.676 0.000 -9.062) 10.197 11.968 ( -3.206 0.000 -11.461) 11.901 12.553 ( 2.844 0.000 -5.187) 5.916 12.566 ( 1.957 0.000 -6.305) 6.602 12.658 ( -4.769 0.000 -0.135) 4.771 12.662 ( -6.197 0.000 -3.241) 6.993 12.721 ( 5.729 0.000 1.569) 5.940 12.847 ( -4.465 0.000 -1.021) 4.580 12.908 ( 2.809 0.000 -5.594) 6.260 12.941 ( 0.868 0.000 -3.822) 3.919 13.869 ( 4.650 0.000 12.459) 13.298 14.002 ( -5.639 0.000 12.629) 13.830 14.281 ( 4.645 0.000 -7.277) 8.633 14.391 ( -4.021 0.000 -5.802) 7.059 14.813 ( 2.521 0.000 -0.241) 2.533 14.818 ( 2.029 0.000 0.405) 2.069 14.865 ( -1.690 0.000 -0.228) 1.705 14.869 ( -1.858 0.000 -4.437) 4.810 16.454 ( 5.578 0.000 1.922) 5.900 16.615 ( -7.137 0.000 5.265) 8.869 16.688 ( 11.720 0.000 -9.850) 15.309 17.050 ( -17.844 0.000 -14.890) 23.240 17.991 ( 9.751 0.000 1.176) 9.821 18.128 ( 12.356 0.000 -4.676) 13.211 18.215 ( -7.900 0.000 1.699) 8.081 18.339 ( -5.575 0.000 -2.671) 6.182 20.112 ( 18.534 0.000 20.462) 27.608 20.696 ( -29.070 0.000 7.921) 30.130 20.700 ( 3.150 0.000 -9.206) 9.730 20.796 ( -4.402 0.000 2.747) 5.189 21.960 ( 5.095 0.000 8.393) 9.818 22.072 ( -3.741 0.000 17.344) 17.743 22.416 ( 22.846 0.000 -16.241) 28.031 22.839 ( -12.383 0.000 -22.023) 25.265 24.288 ( 8.641 0.000 9.265) 12.669 24.544 ( -11.780 0.000 10.232) 15.604 24.713 ( 9.809 0.000 -11.106) 14.818 25.015 ( -14.425 0.000 -13.284) 19.610 25.597 ( 8.404 0.000 12.661) 15.196 25.769 ( -5.510 0.000 13.672) 14.740 26.107 ( 9.378 0.000 -12.878) 15.930 26.289 ( -5.533 0.000 -12.223) 13.417 ======================= Grid point 111 (43/60) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 0.000 7.340 12.469) 14.469 2.870 ( 0.000 3.182 9.717) 10.225 2.880 ( 0.000 6.660 24.134) 25.036 3.062 ( 0.000 8.894 15.896) 18.215 3.280 ( 0.000 8.523 -20.094) 21.827 3.431 ( 0.000 5.618 8.573) 10.250 3.461 ( 0.000 4.623 -22.323) 22.797 3.622 ( 0.000 4.883 -1.917) 5.246 3.987 ( 0.000 3.251 9.454) 9.997 4.272 ( 0.000 2.689 11.366) 11.680 4.676 ( 0.000 3.652 -6.492) 7.449 4.720 ( 0.000 -2.520 2.678) 3.678 4.744 ( 0.000 3.434 -8.657) 9.313 4.896 ( 0.000 5.999 -1.624) 6.215 4.924 ( 0.000 -8.562 5.490) 10.171 5.135 ( 0.000 -6.561 -3.978) 7.673 5.297 ( 0.000 5.626 -11.567) 12.863 5.378 ( 0.000 4.831 -10.341) 11.414 5.638 ( 0.000 -2.750 13.961) 14.230 5.836 ( 0.000 3.788 4.123) 5.599 6.032 ( 0.000 -0.213 -0.618) 0.653 6.090 ( 0.000 8.678 3.758) 9.457 6.110 ( 0.000 2.488 -5.697) 6.217 6.295 ( 0.000 8.647 -5.949) 10.495 6.371 ( 0.000 -7.589 18.749) 20.226 6.632 ( 0.000 -1.080 14.551) 14.591 6.675 ( 0.000 3.351 3.446) 4.807 6.730 ( 0.000 0.381 3.530) 3.551 6.942 ( 0.000 5.338 7.987) 9.606 7.003 ( 0.000 -0.274 -2.103) 2.120 7.161 ( 0.000 1.224 0.690) 1.405 7.198 ( 0.000 -1.552 -1.174) 1.946 7.332 ( 0.000 -4.867 1.824) 5.197 7.352 ( 0.000 -11.759 -0.039) 11.759 7.530 ( 0.000 -6.696 -2.039) 7.000 7.548 ( 0.000 -0.212 -8.723) 8.726 7.661 ( 0.000 3.814 -0.823) 3.902 7.814 ( 0.000 1.709 -5.699) 5.950 7.903 ( 0.000 4.086 -12.054) 12.728 7.938 ( 0.000 5.533 -3.884) 6.760 8.320 ( 0.000 8.500 6.785) 10.877 8.348 ( 0.000 0.358 -2.108) 2.139 8.558 ( 0.000 -5.546 -1.262) 5.688 8.564 ( 0.000 -1.163 -6.999) 7.095 8.921 ( 0.000 -1.032 7.229) 7.302 9.147 ( 0.000 5.663 -6.412) 8.555 9.274 ( 0.000 3.012 9.904) 10.352 9.371 ( 0.000 2.400 8.035) 8.386 9.540 ( 0.000 -4.768 -2.210) 5.255 9.651 ( 0.000 -0.186 -4.903) 4.907 9.693 ( 0.000 -8.100 4.275) 9.159 9.785 ( 0.000 -3.924 1.052) 4.062 9.935 ( 0.000 -1.972 6.166) 6.474 10.004 ( 0.000 -4.860 1.788) 5.178 10.124 ( 0.000 -1.484 5.264) 5.469 10.220 ( 0.000 4.518 0.442) 4.540 10.282 ( 0.000 0.152 -1.788) 1.795 10.382 ( 0.000 3.498 1.099) 3.666 10.460 ( 0.000 5.932 -4.852) 7.663 10.560 ( 0.000 5.381 -6.575) 8.497 10.639 ( 0.000 9.813 -4.257) 10.697 10.772 ( 0.000 1.395 4.916) 5.110 10.800 ( 0.000 4.561 -9.979) 10.972 11.195 ( 0.000 1.871 -12.759) 12.896 11.586 ( 0.000 1.277 2.270) 2.604 11.602 ( 0.000 2.157 3.415) 4.039 11.809 ( 0.000 0.797 -7.966) 8.006 11.931 ( 0.000 -6.680 -11.440) 13.248 12.410 ( 0.000 -6.895 5.909) 9.081 12.563 ( 0.000 -1.849 0.408) 1.893 12.660 ( 0.000 3.229 -0.524) 3.271 12.821 ( 0.000 7.317 -1.858) 7.549 12.828 ( 0.000 0.701 -1.015) 1.234 12.879 ( 0.000 -1.059 -8.720) 8.784 12.887 ( 0.000 5.253 -5.704) 7.755 12.955 ( 0.000 4.106 -6.065) 7.324 13.818 ( 0.000 0.681 11.265) 11.286 14.003 ( 0.000 -5.765 10.275) 11.782 14.258 ( 0.000 2.657 -7.422) 7.883 14.415 ( 0.000 -2.728 -6.472) 7.024 14.698 ( 0.000 -8.260 0.683) 8.289 14.720 ( 0.000 -6.847 -0.346) 6.856 14.738 ( 0.000 -10.070 -0.350) 10.077 14.898 ( 0.000 -3.763 -5.450) 6.623 16.413 ( 0.000 3.038 0.966) 3.188 16.569 ( 0.000 2.340 -7.236) 7.605 16.780 ( 0.000 6.284 7.177) 9.539 17.393 ( 0.000 4.152 -21.830) 22.221 17.721 ( 0.000 -10.935 2.493) 11.215 17.847 ( 0.000 -6.615 -1.291) 6.740 18.207 ( 0.000 -7.687 3.423) 8.414 18.435 ( 0.000 0.513 -6.368) 6.389 20.012 ( 0.000 11.533 24.119) 26.735 20.721 ( 0.000 5.398 -11.318) 12.539 20.847 ( 0.000 -0.837 12.674) 12.702 21.237 ( 0.000 3.970 -6.257) 7.410 21.859 ( 0.000 -3.006 2.578) 3.960 21.976 ( 0.000 -1.373 -5.289) 5.464 22.038 ( 0.000 -7.859 20.895) 22.324 22.880 ( 0.000 -9.467 -20.402) 22.491 24.263 ( 0.000 7.154 4.925) 8.686 24.539 ( 0.000 -5.085 -6.401) 8.175 24.716 ( 0.000 -0.466 8.423) 8.436 25.117 ( 0.000 -10.784 -10.101) 14.776 25.524 ( 0.000 5.187 8.822) 10.233 25.857 ( 0.000 1.457 10.187) 10.291 25.956 ( 0.000 0.190 -12.176) 12.178 26.318 ( 0.000 -3.549 -11.312) 11.856 ======================= Grid point 112 (44/60) ======================= q-point: ( 0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( 2.567 7.203 13.549) 15.557 2.827 ( -3.191 5.098 11.685) 13.142 2.981 ( 8.297 6.102 20.912) 23.310 3.173 ( 8.659 7.409 10.590) 15.557 3.225 ( -10.179 5.247 8.189) 14.078 3.337 ( 0.934 7.504 -11.883) 14.085 3.402 ( -6.208 5.191 -14.822) 16.887 3.452 ( -8.650 6.404 -5.954) 12.299 4.174 ( 12.622 0.972 5.614) 13.849 4.415 ( 9.054 4.122 5.932) 11.583 4.507 ( -13.631 -1.894 2.725) 14.029 4.619 ( -6.220 4.181 -1.474) 7.638 4.823 ( 5.544 0.531 -5.040) 7.511 4.885 ( 0.771 2.363 -4.932) 5.522 4.956 ( 0.387 -1.353 -2.388) 2.772 5.031 ( -6.044 2.801 -8.157) 10.531 5.394 ( 7.625 2.306 -3.359) 8.645 5.536 ( 7.016 -1.701 -1.323) 7.340 5.601 ( -2.924 -1.322 5.681) 6.525 5.739 ( -6.332 2.461 2.207) 7.143 6.020 ( 1.733 -1.002 3.583) 4.104 6.097 ( -0.910 4.064 2.779) 5.007 6.149 ( 1.231 1.761 -3.567) 4.164 6.221 ( -6.157 4.606 -0.354) 7.697 6.413 ( 5.549 -2.937 12.128) 13.657 6.558 ( -3.764 1.963 11.304) 12.075 6.637 ( -0.194 2.673 8.660) 9.065 6.767 ( -8.417 3.415 6.704) 11.289 6.843 ( 7.393 0.233 -2.143) 7.701 7.021 ( -5.072 -2.013 1.160) 5.579 7.205 ( 1.569 -3.536 -2.628) 4.677 7.238 ( 0.440 2.008 -1.372) 2.471 7.336 ( 4.581 -5.386 -5.018) 8.670 7.477 ( 5.841 1.375 -5.066) 7.853 7.495 ( -3.009 -0.520 -5.019) 5.875 7.697 ( 13.360 -0.299 2.066) 13.522 7.726 ( 10.148 -3.553 1.478) 10.853 7.746 ( -9.857 2.596 -10.143) 14.380 7.908 ( 0.392 -1.224 1.595) 2.048 8.052 ( 4.992 3.123 -1.226) 6.015 8.084 ( -14.887 1.138 2.430) 15.127 8.251 ( -9.753 2.332 1.435) 10.130 8.385 ( 1.311 3.560 -4.116) 5.598 8.546 ( -7.569 0.988 -0.150) 7.634 9.099 ( 9.919 -2.452 -0.496) 10.230 9.232 ( 6.731 1.593 -6.758) 9.670 9.285 ( -2.277 -0.594 5.308) 5.807 9.406 ( -3.558 3.328 1.104) 4.995 9.536 ( 3.028 -4.235 2.069) 5.603 9.593 ( 0.348 -2.699 1.968) 3.358 9.735 ( -0.499 0.699 -0.970) 1.296 9.768 ( 0.185 0.331 1.427) 1.476 9.971 ( -0.662 -4.972 3.891) 6.349 10.012 ( 0.319 -3.288 9.916) 10.452 10.123 ( 1.701 -3.820 0.466) 4.207 10.164 ( -0.811 0.868 4.355) 4.514 10.312 ( -3.384 1.821 0.761) 3.917 10.321 ( -1.203 2.527 -1.520) 3.185 10.466 ( 0.253 7.340 -2.714) 7.830 10.481 ( -2.601 5.362 -5.615) 8.188 10.672 ( 2.168 7.404 -5.214) 9.311 10.725 ( -2.148 1.969 -0.605) 2.976 10.940 ( 7.388 4.895 -11.298) 14.360 11.105 ( -6.404 3.138 -12.704) 14.569 11.588 ( 1.675 1.322 5.750) 6.133 11.627 ( -0.457 2.560 4.973) 5.612 11.853 ( 3.488 -1.328 -7.538) 8.411 11.924 ( -1.561 -4.175 -9.180) 10.205 12.426 ( 2.214 -6.835 3.895) 8.173 12.510 ( -3.739 -4.786 2.069) 6.416 12.725 ( -1.888 4.640 -9.043) 10.338 12.746 ( 1.218 3.538 -0.718) 3.810 12.762 ( 0.788 3.696 -4.884) 6.175 12.882 ( -4.205 3.362 -3.434) 6.385 12.940 ( 2.841 3.134 -5.790) 7.171 12.973 ( 0.897 3.102 -4.600) 5.621 13.859 ( 3.538 -0.606 12.105) 12.626 13.957 ( -3.852 -3.807 12.024) 13.188 14.290 ( 2.968 0.610 -7.766) 8.336 14.372 ( -3.270 -1.907 -6.859) 7.834 14.718 ( 0.776 -9.000 0.420) 9.043 14.732 ( -0.459 -9.721 -0.220) 9.735 14.766 ( 3.920 -5.744 -2.120) 7.271 14.858 ( -3.247 -4.381 -4.491) 7.065 16.489 ( 6.027 3.549 1.971) 7.267 16.652 ( -4.436 3.360 3.243) 6.441 16.724 ( 8.260 3.906 -7.826) 12.030 17.075 ( -18.008 2.450 -14.206) 23.068 17.866 ( 9.821 -10.485 4.319) 15.001 18.044 ( 1.466 -9.530 2.913) 10.073 18.175 ( 4.327 -1.969 -5.494) 7.265 18.364 ( -6.243 0.155 -7.378) 9.667 20.211 ( 16.756 9.520 20.334) 28.015 20.697 ( -12.041 2.195 3.398) 12.702 20.794 ( -7.184 5.646 -0.055) 9.138 20.825 ( -8.670 4.123 2.481) 9.916 21.928 ( 3.711 -3.183 7.775) 9.184 22.007 ( -2.572 -6.456 17.015) 18.379 22.358 ( 21.289 -5.342 -14.465) 26.287 22.749 ( -11.329 -8.324 -19.631) 24.145 24.351 ( 7.246 5.623 5.699) 10.798 24.561 ( -8.397 0.895 6.435) 10.617 24.660 ( 7.548 -4.476 -6.382) 10.850 24.928 ( -12.803 -8.101 -9.120) 17.684 25.634 ( 7.394 3.414 9.724) 12.683 25.791 ( -5.183 1.766 10.430) 11.780 26.090 ( 8.352 -1.735 -12.273) 14.946 26.257 ( -5.204 -3.202 -11.713) 13.211 ======================= Grid point 114 (45/60) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( 0.000 11.068 9.339) 14.481 2.974 ( 0.000 7.666 10.687) 13.152 3.051 ( 0.000 10.341 22.824) 25.057 3.293 ( 0.000 14.224 15.056) 20.712 3.480 ( 0.000 11.128 -18.985) 22.006 3.554 ( 0.000 5.790 12.296) 13.591 3.596 ( 0.000 9.269 -18.878) 21.031 3.748 ( 0.000 7.990 -1.773) 8.184 4.075 ( 0.000 5.491 10.775) 12.093 4.308 ( 0.000 0.483 10.791) 10.802 4.642 ( 0.000 -9.463 2.257) 9.729 4.701 ( 0.000 1.109 7.648) 7.728 4.717 ( 0.000 -4.543 3.075) 5.486 4.860 ( 0.000 -0.257 -10.354) 10.358 5.025 ( 0.000 -3.839 -13.092) 13.643 5.032 ( 0.000 6.607 -0.340) 6.616 5.397 ( 0.000 4.249 -9.700) 10.590 5.483 ( 0.000 4.967 -11.237) 12.285 5.655 ( 0.000 6.836 12.222) 14.004 5.849 ( 0.000 -3.110 7.153) 7.800 6.033 ( 0.000 -0.375 1.218) 1.274 6.176 ( 0.000 5.336 -7.733) 9.395 6.200 ( 0.000 -3.558 3.373) 4.903 6.291 ( 0.000 7.736 5.694) 9.605 6.493 ( 0.000 4.015 4.474) 6.012 6.633 ( 0.000 5.575 5.717) 7.985 6.721 ( 0.000 -1.105 0.143) 1.114 6.761 ( 0.000 4.712 1.552) 4.961 7.049 ( 0.000 -10.339 -2.965) 10.756 7.060 ( 0.000 6.038 4.262) 7.391 7.092 ( 0.000 9.364 1.797) 9.535 7.123 ( 0.000 -4.257 3.984) 5.831 7.193 ( 0.000 -5.391 1.113) 5.504 7.295 ( 0.000 0.656 -2.123) 2.222 7.490 ( 0.000 2.601 4.296) 5.022 7.579 ( 0.000 2.975 -13.910) 14.225 7.724 ( 0.000 2.854 -1.185) 3.090 7.831 ( 0.000 0.330 -4.021) 4.034 7.965 ( 0.000 1.613 -9.128) 9.269 8.013 ( 0.000 1.777 -7.262) 7.476 8.296 ( 0.000 -5.487 2.821) 6.170 8.398 ( 0.000 -8.625 3.427) 9.281 8.485 ( 0.000 4.933 -2.224) 5.411 8.549 ( 0.000 0.289 -4.351) 4.361 8.911 ( 0.000 -0.560 12.415) 12.428 9.291 ( 0.000 8.355 -5.710) 10.119 9.345 ( 0.000 0.536 -1.319) 1.423 9.400 ( 0.000 0.502 3.171) 3.210 9.450 ( 0.000 -3.717 1.937) 4.191 9.536 ( 0.000 -5.842 7.843) 9.780 9.621 ( 0.000 -0.791 1.608) 1.792 9.748 ( 0.000 1.058 -0.740) 1.291 9.877 ( 0.000 1.138 5.424) 5.542 10.045 ( 0.000 5.301 0.900) 5.377 10.095 ( 0.000 -1.648 6.867) 7.062 10.217 ( 0.000 -3.667 -6.374) 7.354 10.326 ( 0.000 5.259 3.038) 6.073 10.492 ( 0.000 3.508 0.696) 3.577 10.576 ( 0.000 6.071 -4.612) 7.624 10.667 ( 0.000 6.146 -7.154) 9.432 10.784 ( 0.000 4.765 -1.050) 4.880 10.830 ( 0.000 4.438 8.794) 9.850 10.966 ( 0.000 11.260 -11.849) 16.345 11.207 ( 0.000 -0.985 -8.819) 8.874 11.619 ( 0.000 2.017 3.730) 4.241 11.654 ( 0.000 2.680 0.262) 2.693 11.780 ( 0.000 -7.730 -6.191) 9.903 11.824 ( 0.000 0.765 -5.397) 5.451 12.295 ( 0.000 -4.635 13.772) 14.531 12.550 ( 0.000 0.877 6.202) 6.264 12.716 ( 0.000 0.791 -2.033) 2.182 12.831 ( 0.000 0.045 -1.646) 1.647 12.879 ( 0.000 1.508 -5.081) 5.300 12.929 ( 0.000 3.129 -6.021) 6.785 12.960 ( 0.000 1.474 -10.975) 11.074 13.047 ( 0.000 4.915 -5.840) 7.633 13.859 ( 0.000 3.781 8.369) 9.184 13.907 ( 0.000 -3.211 8.306) 8.905 14.298 ( 0.000 1.272 -8.481) 8.576 14.343 ( 0.000 -4.379 -8.790) 9.821 14.466 ( 0.000 -13.874 -1.150) 13.921 14.515 ( 0.000 -13.198 2.803) 13.493 14.572 ( 0.000 -7.669 -5.145) 9.235 14.751 ( 0.000 -10.830 -7.869) 13.387 16.505 ( 0.000 6.320 1.404) 6.474 16.638 ( 0.000 4.916 -5.789) 7.595 16.940 ( 0.000 9.819 5.918) 11.464 17.479 ( 0.000 -13.307 4.393) 14.013 17.507 ( 0.000 7.448 -20.774) 22.068 17.659 ( 0.000 -11.794 0.868) 11.826 18.039 ( 0.000 -9.698 1.908) 9.884 18.396 ( 0.000 -4.512 -11.612) 12.458 20.290 ( 0.000 15.843 22.612) 27.610 20.834 ( 0.000 5.392 -3.518) 6.438 20.834 ( 0.000 -0.445 16.245) 16.252 21.327 ( 0.000 4.862 -7.433) 8.881 21.786 ( 0.000 -3.984 4.036) 5.671 21.834 ( 0.000 -12.508 21.873) 25.197 21.969 ( 0.000 1.016 -5.373) 5.468 22.667 ( 0.000 -11.497 -16.925) 20.460 24.388 ( 0.000 1.103 1.199) 1.629 24.456 ( 0.000 0.956 -2.677) 2.842 24.674 ( 0.000 -4.870 3.861) 6.215 24.891 ( 0.000 -10.520 -5.066) 11.676 25.639 ( 0.000 6.181 4.365) 7.567 25.869 ( 0.000 -0.239 5.966) 5.971 25.956 ( 0.000 -0.309 -10.752) 10.757 26.228 ( 0.000 -5.501 -10.179) 11.570 ======================= Grid point 115 (46/60) ======================= q-point: ( 0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.928 ( 1.418 10.249 9.528) 14.065 2.960 ( -1.105 8.503 10.104) 13.252 3.138 ( 7.262 9.530 21.071) 24.240 3.361 ( -9.321 8.656 13.036) 18.214 3.379 ( 5.413 12.466 13.407) 19.091 3.514 ( 1.356 9.726 -15.490) 18.341 3.559 ( -4.478 10.691 -15.932) 19.702 3.596 ( -7.923 8.041 -0.262) 11.291 4.216 ( 10.031 3.440 7.962) 13.260 4.489 ( -12.362 0.649 7.165) 14.303 4.510 ( 12.581 4.418 4.828) 14.181 4.695 ( 0.621 -4.933 2.818) 5.715 4.705 ( 0.839 -4.080 -0.178) 4.170 4.880 ( -8.385 -2.847 3.351) 9.468 4.955 ( 3.813 0.069 -8.566) 9.377 5.053 ( -1.946 -1.808 -10.000) 10.346 5.488 ( 8.221 3.241 -7.947) 11.885 5.515 ( 4.428 2.265 -7.013) 8.597 5.660 ( -4.351 6.184 0.626) 7.587 5.728 ( -8.434 -0.580 -0.057) 8.454 6.036 ( 3.816 0.985 7.544) 8.511 6.162 ( 1.442 -0.160 -1.619) 2.174 6.210 ( -1.995 5.258 1.042) 5.719 6.305 ( -8.801 7.051 9.499) 14.745 6.418 ( 7.735 2.263 1.939) 8.289 6.632 ( -6.269 5.337 8.657) 11.947 6.693 ( 2.203 3.551 3.246) 5.291 6.817 ( -10.115 1.940 1.534) 10.413 6.866 ( 7.608 2.838 -1.837) 8.326 7.025 ( -5.204 2.851 3.353) 6.815 7.157 ( 4.837 -2.838 -6.246) 8.395 7.185 ( 5.295 -5.261 -5.924) 9.530 7.284 ( 4.403 -0.174 1.049) 4.530 7.472 ( -6.265 0.311 1.346) 6.415 7.539 ( 9.341 3.167 -3.518) 10.472 7.682 ( 8.707 -0.633 -4.497) 9.820 7.693 ( 7.236 -0.867 1.263) 7.396 7.762 ( -5.009 -0.908 -4.759) 6.968 7.901 ( -7.062 -0.259 1.488) 7.222 8.050 ( -13.904 -4.997 -3.528) 15.190 8.128 ( 5.013 4.110 -2.845) 7.079 8.277 ( -5.744 1.669 5.063) 7.836 8.442 ( 1.125 0.026 -4.652) 4.786 8.570 ( -4.263 1.547 -1.976) 4.947 9.096 ( 9.022 2.536 5.912) 11.080 9.224 ( 5.164 -2.748 -3.051) 6.597 9.303 ( -6.822 2.195 8.401) 11.043 9.391 ( -4.903 -3.905 4.041) 7.458 9.517 ( 1.803 0.130 -2.626) 3.188 9.571 ( 1.430 2.012 3.777) 4.512 9.646 ( 7.281 -6.147 -4.468) 10.524 9.787 ( -2.687 -0.654 -4.320) 5.130 9.943 ( 5.387 3.988 5.608) 8.739 10.012 ( 0.552 2.576 6.324) 6.851 10.101 ( -0.674 1.329 2.656) 3.045 10.189 ( -5.751 1.493 -3.045) 6.677 10.302 ( 2.212 -0.235 3.833) 4.432 10.391 ( -5.198 2.128 -0.908) 5.689 10.556 ( -0.037 4.153 -1.210) 4.325 10.614 ( -4.640 6.584 -3.896) 8.947 10.800 ( 4.222 7.032 1.448) 8.329 10.880 ( -1.611 10.478 -2.049) 10.797 11.042 ( 5.710 5.052 -10.442) 12.929 11.155 ( -3.931 1.438 -11.028) 11.796 11.619 ( 2.280 1.805 4.396) 5.271 11.680 ( -1.046 2.332 4.071) 4.807 11.808 ( 2.251 -3.958 -3.740) 5.893 11.839 ( 0.223 -3.148 -4.197) 5.251 12.318 ( 2.797 -4.061 10.617) 11.706 12.442 ( -6.885 -1.927 7.340) 10.246 12.755 ( 0.200 -0.908 -4.952) 5.038 12.802 ( -3.171 1.220 -3.787) 5.088 12.842 ( 4.624 4.662 -6.177) 9.015 12.956 ( -3.069 3.182 -6.092) 7.527 13.002 ( 3.081 2.442 -6.520) 7.614 13.041 ( -0.153 3.582 -5.819) 6.835 13.868 ( 0.928 1.959 8.921) 9.181 13.896 ( -1.054 -1.675 9.003) 9.218 14.291 ( 0.252 -0.868 -8.973) 9.018 14.318 ( -1.632 -3.647 -8.914) 9.769 14.490 ( 1.156 -13.031 -0.622) 13.097 14.509 ( -0.516 -12.991 1.622) 13.102 14.622 ( 3.860 -8.318 -5.612) 10.750 14.712 ( -3.153 -9.965 -7.071) 12.619 16.584 ( 6.254 5.942 2.097) 8.877 16.727 ( 1.147 4.251 0.306) 4.413 16.838 ( 0.627 7.370 -4.923) 8.885 17.135 ( -17.601 3.379 -12.414) 21.801 17.644 ( 10.444 -11.555 7.749) 17.397 17.833 ( -2.510 -11.057 8.142) 13.959 18.109 ( 9.547 -4.783 -12.081) 16.124 18.321 ( -6.480 -4.333 -12.574) 14.794 20.439 ( 12.471 12.786 19.809) 26.672 20.762 ( -8.752 3.761 7.799) 12.311 20.850 ( 1.579 2.217 9.351) 9.739 20.987 ( -14.697 9.904 -0.308) 17.725 21.839 ( 0.548 -9.753 15.601) 18.407 21.845 ( 0.616 -5.668 7.082) 9.092 22.247 ( 16.931 -5.122 -11.828) 21.279 22.562 ( -9.135 -9.992 -16.248) 21.150 24.447 ( 4.654 1.057 1.577) 5.026 24.526 ( 4.049 -1.561 -0.913) 4.435 24.605 ( -2.946 -2.452 0.954) 3.950 24.759 ( -9.318 -7.214 -4.222) 12.517 25.709 ( 4.952 3.955 5.052) 8.105 25.820 ( -3.859 1.056 5.871) 7.105 26.045 ( 6.055 -2.664 -10.740) 12.614 26.176 ( -4.310 -4.867 -10.419) 12.281 ======================= Grid point 117 (47/60) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( 0.000 9.859 7.395) 12.324 3.172 ( 0.000 11.873 13.759) 18.174 3.252 ( 0.000 9.675 21.323) 23.415 3.573 ( 0.000 12.978 11.827) 17.558 3.607 ( 0.000 -1.155 16.617) 16.657 3.666 ( 0.000 6.892 -10.256) 12.356 3.816 ( 0.000 13.079 -18.097) 22.328 3.915 ( 0.000 8.742 3.638) 9.468 4.188 ( 0.000 6.118 7.579) 9.740 4.295 ( 0.000 -1.116 8.641) 8.713 4.508 ( 0.000 -12.923 5.556) 14.066 4.545 ( 0.000 1.346 -2.868) 3.168 4.760 ( 0.000 4.206 10.964) 11.743 4.781 ( 0.000 -9.589 -12.728) 15.935 4.975 ( 0.000 -2.382 -14.486) 14.681 5.071 ( 0.000 -4.133 4.567) 6.159 5.457 ( 0.000 1.077 -8.547) 8.615 5.582 ( 0.000 7.217 -13.359) 15.184 5.702 ( 0.000 -9.021 11.966) 14.986 5.870 ( 0.000 9.229 1.418) 9.337 6.014 ( 0.000 -0.504 1.736) 1.808 6.208 ( 0.000 2.577 -5.332) 5.922 6.329 ( 0.000 9.082 -11.948) 15.008 6.368 ( 0.000 0.594 -4.931) 4.967 6.533 ( 0.000 5.260 17.863) 18.622 6.697 ( 0.000 -0.501 1.826) 1.893 6.789 ( 0.000 6.779 2.107) 7.099 6.835 ( 0.000 2.475 3.005) 3.893 6.912 ( 0.000 -3.090 -2.384) 3.903 7.062 ( 0.000 -0.766 5.526) 5.579 7.104 ( 0.000 -1.872 -2.520) 3.139 7.233 ( 0.000 8.558 5.263) 10.047 7.271 ( 0.000 6.731 2.341) 7.126 7.323 ( 0.000 1.978 -2.667) 3.320 7.561 ( 0.000 3.518 5.525) 6.550 7.625 ( 0.000 0.231 -14.250) 14.252 7.765 ( 0.000 0.487 -2.683) 2.727 7.834 ( 0.000 0.218 -4.692) 4.697 7.961 ( 0.000 -1.150 -6.217) 6.322 7.989 ( 0.000 -4.306 -5.363) 6.878 8.195 ( 0.000 -3.319 5.924) 6.791 8.218 ( 0.000 -7.863 6.088) 9.945 8.543 ( 0.000 1.610 -9.253) 9.392 8.586 ( 0.000 3.128 -7.856) 8.456 8.895 ( 0.000 -0.606 11.606) 11.622 9.203 ( 0.000 -10.709 -10.215) 14.800 9.299 ( 0.000 -5.264 -3.416) 6.275 9.316 ( 0.000 -6.542 -7.648) 10.065 9.537 ( 0.000 8.432 16.272) 18.327 9.631 ( 0.000 11.293 13.347) 17.484 9.677 ( 0.000 4.737 9.249) 10.392 9.828 ( 0.000 6.006 -1.014) 6.091 9.954 ( 0.000 5.235 3.719) 6.422 10.064 ( 0.000 -0.521 8.129) 8.146 10.165 ( 0.000 -1.765 -6.007) 6.261 10.169 ( 0.000 7.089 1.204) 7.190 10.412 ( 0.000 3.484 0.025) 3.484 10.500 ( 0.000 -1.918 0.522) 1.988 10.676 ( 0.000 3.552 -4.080) 5.409 10.789 ( 0.000 5.725 -7.619) 9.530 10.855 ( 0.000 2.958 1.314) 3.237 10.899 ( 0.000 0.942 4.885) 4.975 11.154 ( 0.000 6.850 -12.872) 14.581 11.173 ( 0.000 -1.466 -7.004) 7.156 11.652 ( 0.000 -1.737 -1.138) 2.077 11.658 ( 0.000 1.962 6.817) 7.093 11.714 ( 0.000 0.718 2.465) 2.567 11.832 ( 0.000 -0.437 0.778) 0.893 12.248 ( 0.000 0.255 14.828) 14.831 12.596 ( 0.000 3.848 6.283) 7.368 12.643 ( 0.000 -7.304 3.127) 7.945 12.853 ( 0.000 0.205 -1.049) 1.069 12.916 ( 0.000 2.047 -5.629) 5.989 12.940 ( 0.000 -1.672 -9.578) 9.723 12.966 ( 0.000 1.098 -4.852) 4.975 13.124 ( 0.000 2.439 -5.170) 5.717 13.892 ( 0.000 1.350 2.568) 2.901 13.951 ( 0.000 4.932 2.584) 5.568 14.208 ( 0.000 -12.049 -0.011) 12.049 14.246 ( 0.000 -4.395 -9.101) 10.107 14.254 ( 0.000 -12.327 0.558) 12.339 14.321 ( 0.000 0.649 -10.473) 10.493 14.443 ( 0.000 -5.561 -9.541) 11.044 14.514 ( 0.000 -12.389 -9.796) 15.794 16.645 ( 0.000 7.783 1.771) 7.982 16.766 ( 0.000 8.379 -4.107) 9.332 17.146 ( 0.000 11.204 4.750) 12.170 17.224 ( 0.000 -12.668 4.663) 13.499 17.420 ( 0.000 -12.502 1.251) 12.564 17.675 ( 0.000 9.740 -19.716) 21.991 17.832 ( 0.000 -11.559 1.116) 11.612 18.269 ( 0.000 -8.288 -15.237) 17.345 20.579 ( 0.000 12.789 19.787) 23.560 20.827 ( 0.000 -0.554 18.794) 18.803 20.928 ( 0.000 5.225 7.190) 8.887 21.410 ( 0.000 3.012 -10.135) 10.573 21.585 ( 0.000 -11.853 25.973) 28.550 21.709 ( 0.000 -4.186 4.216) 5.941 22.025 ( 0.000 4.728 -7.108) 8.537 22.457 ( 0.000 -9.942 -14.723) 17.765 24.329 ( 0.000 -2.950 5.724) 6.439 24.519 ( 0.000 -9.419 5.036) 10.680 24.553 ( 0.000 5.010 -7.420) 8.953 24.756 ( 0.000 -4.285 -7.455) 8.599 25.751 ( 0.000 5.209 1.007) 5.305 25.856 ( 0.000 -0.782 3.263) 3.355 25.944 ( 0.000 -0.814 -8.590) 8.629 26.116 ( 0.000 -5.792 -8.752) 10.495 ======================= Grid point 118 (48/60) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( 1.126 10.097 8.580) 13.298 3.155 ( -1.201 11.071 11.557) 16.049 3.322 ( 5.669 8.566 20.642) 23.057 3.491 ( -7.863 3.762 18.761) 20.687 3.620 ( 3.617 9.702 8.459) 13.371 3.684 ( 0.405 5.847 -5.546) 8.069 3.755 ( -2.483 12.089 -11.971) 17.193 3.816 ( -5.691 14.175 -6.299) 16.523 4.296 ( 7.439 3.841 9.161) 12.410 4.439 ( 4.590 -8.406 7.379) 12.090 4.478 ( 0.394 -6.701 8.471) 10.808 4.639 ( -0.253 0.069 -0.003) 0.262 4.645 ( 1.698 2.583 2.439) 3.938 4.853 ( 1.051 -8.339 -6.364) 10.542 4.883 ( -7.410 -0.436 -0.935) 7.482 4.969 ( -4.254 -7.064 -9.930) 12.907 5.507 ( 4.730 1.259 -5.253) 7.180 5.615 ( 2.386 5.995 -10.162) 12.037 5.670 ( -3.401 -0.958 -1.262) 3.752 5.841 ( -7.997 5.654 -6.597) 11.809 6.021 ( 6.346 -0.907 6.847) 9.379 6.159 ( 0.274 0.150 1.702) 1.730 6.318 ( -0.344 2.880 -4.350) 5.229 6.437 ( -7.512 2.591 -5.263) 9.532 6.520 ( 9.470 11.985 12.262) 19.587 6.756 ( 0.557 6.674 7.079) 9.745 6.768 ( 0.571 4.992 4.344) 6.642 6.881 ( -9.511 4.911 0.592) 10.721 6.952 ( 6.538 5.192 -0.134) 8.350 7.034 ( 6.879 -4.153 -2.134) 8.314 7.102 ( -3.029 2.641 5.568) 6.867 7.183 ( -0.334 0.213 -8.488) 8.497 7.276 ( 6.393 1.121 2.422) 6.928 7.498 ( -5.999 0.401 1.463) 6.188 7.567 ( 2.549 -0.898 -8.226) 8.658 7.653 ( 2.674 -1.599 -2.960) 4.297 7.692 ( 0.994 0.748 -0.528) 1.351 7.741 ( 0.730 -1.165 -5.595) 5.761 7.862 ( -9.996 -5.270 1.605) 11.414 7.908 ( -6.041 -6.746 -3.174) 9.596 8.208 ( 2.648 3.584 -1.409) 4.673 8.333 ( -4.569 3.899 0.635) 6.040 8.387 ( 5.394 -3.933 -1.838) 6.924 8.580 ( -3.823 -1.066 -7.636) 8.606 9.131 ( 8.915 -4.740 4.643) 11.113 9.164 ( 7.152 0.653 4.263) 8.352 9.309 ( -9.926 1.612 10.424) 14.484 9.402 ( -0.637 1.871 6.765) 7.048 9.469 ( 5.951 -4.942 -4.436) 8.917 9.556 ( -1.916 1.707 2.822) 3.814 9.666 ( -0.340 4.149 -4.387) 6.048 9.808 ( -4.634 3.297 -0.648) 5.725 10.037 ( 2.555 2.795 0.895) 3.891 10.086 ( 2.647 3.298 3.802) 5.687 10.168 ( 2.950 6.252 -0.860) 6.966 10.219 ( -1.524 3.185 -2.692) 4.439 10.320 ( -2.014 0.825 6.347) 6.709 10.415 ( -5.316 1.835 2.644) 6.214 10.644 ( 0.934 4.584 1.366) 4.873 10.722 ( -5.116 4.358 1.486) 6.883 10.923 ( 6.459 4.160 -4.376) 8.842 11.018 ( 0.857 1.815 -3.299) 3.862 11.133 ( 0.266 4.173 -6.904) 8.071 11.165 ( -0.916 1.077 -11.027) 11.117 11.657 ( 1.977 1.997 3.367) 4.385 11.697 ( -0.229 -0.683 5.201) 5.251 11.735 ( 2.592 -2.218 1.655) 3.791 11.801 ( -2.432 -1.544 1.239) 3.136 12.281 ( 3.664 0.446 12.707) 13.232 12.433 ( -8.526 0.611 9.213) 12.568 12.717 ( 2.833 -2.123 -1.067) 3.697 12.804 ( -4.409 -0.793 -1.793) 4.825 12.904 ( 3.246 1.219 -6.188) 7.094 12.967 ( -0.551 -1.644 -5.153) 5.437 13.042 ( 3.600 2.042 -5.531) 6.908 13.104 ( -1.631 2.373 -5.276) 6.011 13.902 ( 0.830 1.883 2.955) 3.601 13.929 ( -1.376 3.496 2.981) 4.796 14.206 ( 0.081 -9.100 -3.694) 9.822 14.220 ( -1.076 -7.804 -5.696) 9.722 14.282 ( 1.363 -7.214 -3.612) 8.182 14.310 ( -0.932 -3.007 -6.873) 7.560 14.470 ( 1.853 -7.032 -9.696) 12.120 14.505 ( -0.925 -10.491 -9.713) 14.326 16.705 ( 4.891 6.226 2.682) 8.359 16.813 ( -0.076 4.374 2.084) 4.846 16.985 ( -0.942 7.031 -6.992) 9.960 17.183 ( -12.946 0.803 -9.491) 16.072 17.454 ( 10.230 -7.009 9.529) 15.640 17.641 ( -5.175 -8.508 9.088) 13.482 18.014 ( 10.768 -4.098 -16.243) 19.914 18.209 ( -5.404 -6.875 -16.049) 18.277 20.651 ( 5.849 7.783 18.770) 21.145 20.807 ( -5.716 0.451 13.790) 14.935 20.931 ( 5.822 7.217 13.176) 16.112 21.174 ( -13.673 9.070 2.169) 16.550 21.634 ( 4.633 -10.630 15.205) 19.122 21.732 ( -2.403 -6.236 5.490) 8.649 22.182 ( 10.495 -1.382 -10.765) 15.098 22.388 ( -6.080 -7.688 -14.070) 17.148 24.376 ( 3.672 -4.344 5.442) 7.872 24.470 ( -3.638 -7.212 4.915) 9.455 24.595 ( 3.294 2.964 -7.025) 8.306 24.694 ( -4.483 -1.206 -7.145) 8.521 25.781 ( 2.220 3.460 1.594) 4.409 25.833 ( -1.859 0.492 2.737) 3.345 25.993 ( 3.649 -2.555 -8.676) 9.752 26.079 ( -3.036 -4.925 -8.761) 10.499 ======================= Grid point 120 (49/60) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.307 ( 0.000 10.350 11.983) 15.834 3.372 ( 0.000 7.174 15.145) 16.758 3.397 ( 0.000 4.358 18.906) 19.402 3.499 ( 0.000 -8.826 17.140) 19.279 3.731 ( 0.000 2.603 5.267) 5.875 3.734 ( 0.000 0.960 1.974) 2.195 4.058 ( 0.000 9.850 -12.566) 15.966 4.090 ( 0.000 7.535 6.563) 9.992 4.273 ( 0.000 0.063 5.438) 5.438 4.301 ( 0.000 -6.495 3.477) 7.367 4.333 ( 0.000 7.911 -0.829) 7.955 4.546 ( 0.000 -12.755 -13.557) 18.614 4.690 ( 0.000 10.373 2.968) 10.789 4.818 ( 0.000 0.538 6.418) 6.440 4.892 ( 0.000 -4.809 -15.342) 16.078 4.915 ( 0.000 -9.148 0.957) 9.198 5.448 ( 0.000 0.294 -3.110) 3.124 5.527 ( 0.000 -7.584 7.759) 10.849 5.771 ( 0.000 10.567 -12.458) 16.336 5.923 ( 0.000 -3.736 -6.336) 7.356 6.050 ( 0.000 4.462 3.130) 5.450 6.178 ( 0.000 -7.187 0.074) 7.188 6.380 ( 0.000 4.226 -6.759) 7.971 6.437 ( 0.000 0.516 -13.325) 13.335 6.746 ( 0.000 5.382 4.849) 7.244 6.770 ( 0.000 10.602 7.222) 12.828 6.861 ( 0.000 0.458 4.051) 4.077 6.867 ( 0.000 -2.103 0.904) 2.289 6.906 ( 0.000 8.823 0.351) 8.830 7.054 ( 0.000 -1.530 2.035) 2.546 7.119 ( 0.000 2.978 0.993) 3.139 7.259 ( 0.000 -6.956 1.428) 7.101 7.327 ( 0.000 -0.013 5.902) 5.902 7.346 ( 0.000 -2.734 5.651) 6.277 7.615 ( 0.000 2.988 -4.006) 4.998 7.620 ( 0.000 2.709 2.351) 3.586 7.742 ( 0.000 -1.285 -6.276) 6.406 7.803 ( 0.000 -5.131 -5.469) 7.499 7.927 ( 0.000 0.329 -5.965) 5.974 7.950 ( 0.000 -0.777 -7.056) 7.099 8.143 ( 0.000 -0.109 5.926) 5.927 8.161 ( 0.000 -1.130 5.153) 5.275 8.588 ( 0.000 3.199 -12.303) 12.712 8.629 ( 0.000 0.131 -11.276) 11.277 8.909 ( 0.000 2.443 5.296) 5.832 9.009 ( 0.000 -8.136 -3.794) 8.977 9.216 ( 0.000 -2.537 -3.556) 4.368 9.218 ( 0.000 -2.916 -5.854) 6.540 9.701 ( 0.000 7.416 14.789) 16.544 9.763 ( 0.000 1.516 15.449) 15.524 9.768 ( 0.000 4.716 8.498) 9.719 9.863 ( 0.000 -3.416 2.490) 4.227 10.041 ( 0.000 3.252 3.104) 4.496 10.083 ( 0.000 -1.071 7.911) 7.984 10.227 ( 0.000 10.166 -1.316) 10.251 10.298 ( 0.000 5.192 8.392) 9.868 10.433 ( 0.000 -2.552 -10.439) 10.746 10.439 ( 0.000 -3.885 -2.608) 4.680 10.719 ( 0.000 2.733 3.530) 4.464 10.813 ( 0.000 -5.123 5.624) 7.607 10.900 ( 0.000 1.839 -10.805) 10.961 10.903 ( 0.000 1.675 -3.835) 4.185 11.175 ( 0.000 1.636 -9.580) 9.718 11.210 ( 0.000 -0.633 -12.989) 13.004 11.688 ( 0.000 4.590 4.562) 6.471 11.693 ( 0.000 1.573 8.286) 8.434 11.719 ( 0.000 -0.239 6.278) 6.283 11.790 ( 0.000 -4.082 5.676) 6.991 12.314 ( 0.000 6.392 12.025) 13.618 12.474 ( 0.000 -9.298 8.278) 12.449 12.693 ( 0.000 5.920 4.636) 7.519 12.805 ( 0.000 -4.830 2.831) 5.598 12.921 ( 0.000 0.225 -8.574) 8.577 12.935 ( 0.000 -0.403 -7.874) 7.885 13.024 ( 0.000 4.891 -2.852) 5.661 13.118 ( 0.000 -3.318 -3.750) 5.007 13.936 ( 0.000 2.754 -1.388) 3.084 14.017 ( 0.000 -6.845 -0.311) 6.852 14.027 ( 0.000 2.868 -1.419) 3.199 14.089 ( 0.000 -4.818 -2.029) 5.228 14.200 ( 0.000 0.707 -9.936) 9.961 14.292 ( 0.000 -8.465 -11.048) 13.918 14.337 ( 0.000 1.230 -11.175) 11.242 14.375 ( 0.000 -2.859 -11.212) 11.571 16.805 ( 0.000 8.904 2.620) 9.281 16.957 ( 0.000 11.015 -2.417) 11.277 16.996 ( 0.000 -10.845 3.839) 11.505 17.181 ( 0.000 -12.037 -0.422) 12.044 17.369 ( 0.000 11.775 3.525) 12.291 17.601 ( 0.000 -12.089 2.048) 12.262 17.877 ( 0.000 10.842 -18.763) 21.670 18.085 ( 0.000 -10.416 -17.482) 20.349 20.748 ( 0.000 4.873 17.541) 18.206 20.806 ( 0.000 -1.763 18.790) 18.873 21.079 ( 0.000 10.473 14.351) 17.766 21.302 ( 0.000 -11.736 11.339) 16.319 21.531 ( 0.000 3.947 6.769) 7.836 21.620 ( 0.000 -4.845 4.083) 6.336 22.140 ( 0.000 6.811 -9.517) 11.702 22.284 ( 0.000 -8.057 -12.280) 14.688 24.306 ( 0.000 0.815 7.492) 7.536 24.368 ( 0.000 -5.643 7.053) 9.033 24.631 ( 0.000 3.256 -9.949) 10.468 24.689 ( 0.000 -3.004 -10.056) 10.495 25.830 ( 0.000 2.388 -0.552) 2.450 25.847 ( 0.000 -0.235 0.789) 0.823 25.943 ( 0.000 1.507 -6.850) 7.014 26.011 ( 0.000 -4.891 -7.296) 8.784 ======================= Grid point 121 (50/60) ======================= q-point: ( 0.33 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.318 ( 1.058 9.232 13.221) 16.160 3.351 ( -1.444 7.692 14.827) 16.766 3.434 ( 2.353 2.193 17.636) 17.927 3.482 ( -1.495 -4.434 16.866) 17.503 3.725 ( -0.132 1.922 3.906) 4.355 3.731 ( -0.449 0.249 3.257) 3.297 4.039 ( 0.377 13.586 -5.309) 14.591 4.081 ( -2.149 11.034 -4.946) 12.281 4.283 ( 0.968 -3.156 6.662) 7.435 4.307 ( -0.218 -4.607 6.375) 7.869 4.404 ( 6.215 -1.219 -4.735) 7.908 4.520 ( -2.683 -9.739 -11.866) 15.584 4.740 ( 2.595 3.983 4.848) 6.790 4.781 ( -1.795 0.593 2.116) 2.838 4.804 ( -4.756 -5.476 -10.492) 12.755 4.838 ( -4.142 -4.521 6.127) 8.668 5.537 ( 6.658 1.569 -4.349) 8.106 5.622 ( 1.788 -2.304 1.413) 3.241 5.773 ( 2.111 7.463 -12.895) 15.048 5.896 ( -3.507 0.461 -7.887) 8.644 6.033 ( 0.830 1.290 2.220) 2.698 6.146 ( -3.144 -1.551 4.162) 5.442 6.290 ( 0.985 -2.980 -5.847) 6.636 6.437 ( -8.613 -1.140 -2.392) 9.011 6.778 ( 8.849 9.379 5.745) 14.116 6.858 ( 5.717 3.940 5.080) 8.603 6.896 ( 3.296 5.023 3.147) 6.782 6.948 ( 1.814 0.901 5.905) 6.243 7.006 ( 6.785 3.761 -3.685) 8.589 7.077 ( -4.568 3.950 3.005) 6.746 7.101 ( 0.256 -0.077 6.755) 6.760 7.207 ( -3.631 2.691 -3.803) 5.907 7.293 ( 1.036 -3.466 0.046) 3.618 7.431 ( 5.091 -3.865 -1.526) 6.571 7.512 ( -7.723 -3.890 -9.074) 12.535 7.639 ( -3.100 -0.620 -4.816) 5.761 7.712 ( -3.885 -0.447 -3.291) 5.111 7.728 ( -0.490 -1.365 -2.125) 2.573 7.739 ( -3.820 -0.528 -3.048) 4.915 7.834 ( -6.842 -2.626 1.064) 7.405 8.250 ( 3.613 0.899 1.409) 3.981 8.339 ( 11.727 -0.845 -1.981) 11.923 8.415 ( -9.577 3.687 -3.851) 10.961 8.537 ( -4.558 -2.634 -11.050) 12.240 9.037 ( 5.565 -3.248 2.105) 6.779 9.160 ( 9.402 -0.382 9.401) 13.301 9.368 ( -0.243 1.062 4.443) 4.575 9.387 ( -0.850 -1.297 5.225) 5.450 9.408 ( 7.947 -0.207 0.300) 7.955 9.637 ( -11.388 3.319 7.968) 14.289 9.731 ( -0.098 2.841 -5.466) 6.161 9.885 ( -1.416 2.438 3.971) 4.870 10.036 ( -3.296 0.311 -2.927) 4.419 10.101 ( -6.280 -2.066 -4.697) 8.110 10.265 ( 4.792 2.482 1.808) 5.691 10.317 ( 1.524 0.208 15.622) 15.698 10.361 ( 3.694 8.052 0.876) 8.902 10.462 ( -2.702 1.100 -3.074) 4.238 10.723 ( 1.011 3.331 6.092) 7.016 10.769 ( -2.447 0.227 6.009) 6.492 10.944 ( 3.286 -0.774 -8.871) 9.492 10.975 ( 1.606 -3.500 -8.930) 9.725 11.179 ( 1.091 1.576 -7.555) 7.795 11.214 ( -0.854 1.499 -9.813) 9.963 11.682 ( 0.542 1.012 5.945) 6.054 11.702 ( 1.167 1.061 5.699) 5.913 11.713 ( -0.844 -0.397 6.348) 6.416 11.760 ( -2.729 -2.582 3.892) 5.409 12.328 ( 2.949 3.398 12.302) 13.099 12.436 ( -4.281 -1.041 10.489) 11.377 12.708 ( 1.732 1.673 1.477) 2.825 12.769 ( -2.955 -2.986 1.578) 4.488 12.906 ( 1.042 -0.498 -6.286) 6.391 12.940 ( -0.709 -0.170 -4.627) 4.684 13.074 ( 2.500 1.376 -5.046) 5.797 13.112 ( -0.689 -1.490 -4.611) 4.895 13.932 ( -0.024 0.509 0.385) 0.639 13.952 ( -2.028 -1.455 1.188) 2.765 14.090 ( 1.746 -1.333 -3.650) 4.260 14.100 ( 0.584 -2.395 -3.990) 4.691 14.224 ( 2.154 -0.173 -9.319) 9.566 14.287 ( -2.570 -0.654 -8.709) 9.103 14.332 ( 1.711 -5.631 -12.162) 13.511 14.368 ( -0.961 -3.598 -12.106) 12.666 16.815 ( 1.096 4.778 4.226) 6.472 16.868 ( -3.585 0.363 4.986) 6.152 17.080 ( 3.960 2.374 -7.981) 9.220 17.165 ( -2.433 -1.536 -8.918) 9.370 17.403 ( 3.139 1.620 9.780) 10.398 17.503 ( -5.176 -5.856 7.519) 10.846 17.986 ( 5.818 1.734 -18.306) 19.287 18.074 ( -1.605 -6.413 -17.965) 19.143 20.734 ( 1.009 1.630 18.605) 18.704 20.801 ( -3.207 -0.473 17.421) 17.720 21.097 ( 6.069 7.582 14.486) 17.440 21.322 ( -11.208 5.338 4.605) 13.241 21.448 ( 8.352 -7.410 13.910) 17.836 21.618 ( -4.601 -4.524 5.039) 8.187 22.188 ( 4.027 1.480 -10.978) 11.787 22.271 ( -2.011 -4.206 -12.234) 13.092 24.324 ( 1.358 -0.758 7.314) 7.477 24.355 ( -1.066 -3.902 7.098) 8.170 24.642 ( 1.004 1.753 -9.736) 9.943 24.672 ( -1.300 -1.127 -9.839) 9.988 25.837 ( 0.429 1.694 -0.250) 1.765 25.844 ( -0.221 0.730 0.293) 0.817 25.958 ( 1.333 -0.532 -6.880) 7.028 25.994 ( -1.356 -3.473 -7.208) 8.115 ======================= Grid point 135 (51/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.905 ( 0.000 0.000 -10.852) 10.852 2.905 ( 0.000 0.000 10.852) 10.852 3.018 ( 0.000 0.000 -13.784) 13.784 3.018 ( 0.000 0.000 13.784) 13.784 3.138 ( 0.000 0.000 -3.718) 3.718 3.138 ( 0.000 0.000 3.718) 3.718 3.463 ( 0.000 0.000 -5.310) 5.310 3.463 ( 0.000 0.000 5.310) 5.310 4.226 ( 0.000 0.000 -12.700) 12.700 4.226 ( 0.000 0.000 12.700) 12.700 4.554 ( 0.000 0.000 -0.596) 0.596 4.554 ( 0.000 0.000 0.596) 0.596 4.786 ( 0.000 0.000 -2.277) 2.277 4.786 ( 0.000 0.000 2.277) 2.277 5.163 ( 0.000 0.000 -4.986) 4.986 5.163 ( 0.000 0.000 4.986) 4.986 5.164 ( 0.000 0.000 -4.233) 4.233 5.164 ( 0.000 0.000 4.233) 4.233 5.825 ( 0.000 0.000 -3.474) 3.474 5.825 ( 0.000 0.000 3.474) 3.474 6.028 ( 0.000 0.000 -1.344) 1.344 6.028 ( 0.000 0.000 1.344) 1.344 6.057 ( 0.000 0.000 -4.135) 4.135 6.057 ( 0.000 0.000 4.135) 4.135 6.714 ( 0.000 0.000 -3.870) 3.870 6.714 ( 0.000 0.000 3.870) 3.870 6.797 ( 0.000 0.000 -8.114) 8.114 6.797 ( 0.000 0.000 8.114) 8.114 7.055 ( 0.000 0.000 -8.231) 8.231 7.055 ( 0.000 0.000 8.231) 8.231 7.072 ( 0.000 0.000 -8.531) 8.531 7.072 ( 0.000 0.000 8.531) 8.531 7.499 ( 0.000 0.000 -3.014) 3.014 7.499 ( 0.000 0.000 3.014) 3.014 7.581 ( 0.000 0.000 -4.102) 4.102 7.581 ( 0.000 0.000 4.102) 4.102 7.641 ( 0.000 0.000 -6.754) 6.754 7.641 ( 0.000 0.000 6.754) 6.754 7.741 ( 0.000 0.000 -9.555) 9.555 7.741 ( 0.000 0.000 9.555) 9.555 8.345 ( 0.000 0.000 -6.123) 6.123 8.345 ( 0.000 0.000 6.123) 6.123 8.462 ( 0.000 0.000 -11.546) 11.546 8.462 ( 0.000 0.000 11.546) 11.546 8.998 ( 0.000 0.000 -2.623) 2.623 8.998 ( 0.000 0.000 2.623) 2.623 9.464 ( 0.000 0.000 -11.573) 11.573 9.464 ( 0.000 0.000 11.573) 11.573 9.509 ( 0.000 0.000 -6.243) 6.243 9.509 ( 0.000 0.000 6.243) 6.243 9.829 ( 0.000 0.000 -2.042) 2.042 9.829 ( 0.000 0.000 2.042) 2.042 10.134 ( 0.000 0.000 -6.391) 6.391 10.134 ( 0.000 0.000 6.391) 6.391 10.188 ( 0.000 0.000 -5.379) 5.379 10.188 ( 0.000 0.000 5.379) 5.379 10.197 ( 0.000 0.000 -5.135) 5.135 10.197 ( 0.000 0.000 5.135) 5.135 10.453 ( 0.000 0.000 -3.459) 3.459 10.453 ( 0.000 0.000 3.459) 3.459 10.583 ( 0.000 0.000 -7.255) 7.255 10.583 ( 0.000 0.000 7.255) 7.255 10.892 ( 0.000 0.000 -11.436) 11.436 10.892 ( 0.000 0.000 11.436) 11.436 11.652 ( 0.000 0.000 -6.037) 6.037 11.652 ( 0.000 0.000 6.037) 6.037 11.739 ( 0.000 0.000 -11.107) 11.107 11.739 ( 0.000 0.000 11.107) 11.107 12.486 ( 0.000 0.000 -1.007) 1.007 12.486 ( 0.000 0.000 1.007) 1.007 12.721 ( 0.000 0.000 -6.938) 6.938 12.721 ( 0.000 0.000 6.938) 6.938 12.818 ( 0.000 0.000 -1.875) 1.875 12.818 ( 0.000 0.000 1.875) 1.875 12.823 ( 0.000 0.000 -1.684) 1.684 12.823 ( 0.000 0.000 1.684) 1.684 14.032 ( 0.000 0.000 -10.349) 10.349 14.032 ( 0.000 0.000 10.349) 10.349 14.293 ( 0.000 0.000 -9.501) 9.501 14.293 ( 0.000 0.000 9.501) 9.501 14.807 ( 0.000 0.000 -0.836) 0.836 14.807 ( 0.000 0.000 0.836) 0.836 14.854 ( 0.000 0.000 -2.214) 2.214 14.854 ( 0.000 0.000 2.214) 2.214 16.429 ( 0.000 0.000 -3.910) 3.910 16.429 ( 0.000 0.000 3.910) 3.910 16.962 ( 0.000 0.000 -16.553) 16.553 16.962 ( 0.000 0.000 16.553) 16.553 17.867 ( 0.000 0.000 -1.338) 1.338 17.867 ( 0.000 0.000 1.338) 1.338 18.353 ( 0.000 0.000 -2.734) 2.734 18.353 ( 0.000 0.000 2.734) 2.734 20.335 ( 0.000 0.000 -19.409) 19.409 20.335 ( 0.000 0.000 19.409) 19.409 21.053 ( 0.000 0.000 -8.596) 8.596 21.053 ( 0.000 0.000 8.596) 8.596 21.920 ( 0.000 0.000 -2.025) 2.025 21.920 ( 0.000 0.000 2.025) 2.025 22.535 ( 0.000 0.000 -21.746) 21.746 22.535 ( 0.000 0.000 21.746) 21.746 24.382 ( 0.000 0.000 -10.783) 10.783 24.382 ( 0.000 0.000 10.783) 10.783 24.958 ( 0.000 0.000 -13.011) 13.011 24.958 ( 0.000 0.000 13.011) 13.011 25.705 ( 0.000 0.000 -12.326) 12.326 25.705 ( 0.000 0.000 12.326) 12.326 26.106 ( 0.000 0.000 -13.191) 13.191 26.106 ( 0.000 0.000 13.191) 13.191 ======================= Grid point 137 (52/60) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( 1.318 0.000 -11.171) 11.249 2.920 ( 1.318 0.000 11.171) 11.249 2.968 ( -2.720 0.000 -11.908) 12.215 2.968 ( -2.720 0.000 11.908) 12.215 3.221 ( 5.763 0.000 -2.665) 6.349 3.221 ( 5.763 0.000 2.665) 6.349 3.373 ( -6.472 0.000 -3.975) 7.596 3.373 ( -6.472 0.000 3.975) 7.596 4.328 ( 8.538 0.000 -9.425) 12.717 4.328 ( 8.538 0.000 9.425) 12.717 4.576 ( -9.238 0.000 -0.225) 9.241 4.576 ( -9.238 0.000 0.225) 9.241 4.697 ( 5.363 0.000 -2.923) 6.108 4.697 ( 5.363 0.000 2.923) 6.108 4.900 ( -9.342 0.000 -1.322) 9.435 4.900 ( -9.342 0.000 1.322) 9.435 5.506 ( 13.204 0.000 -4.879) 14.077 5.506 ( 13.204 0.000 4.879) 14.077 5.739 ( -6.818 0.000 -0.074) 6.818 5.739 ( -6.818 0.000 0.074) 6.818 6.067 ( 2.007 0.000 -0.828) 2.171 6.067 ( 2.007 0.000 0.828) 2.171 6.080 ( 1.120 0.000 -2.163) 2.436 6.080 ( 1.120 0.000 2.163) 2.436 6.665 ( -0.535 0.000 -7.090) 7.110 6.665 ( -0.535 0.000 7.090) 7.110 6.742 ( -4.773 0.000 -0.474) 4.797 6.742 ( -4.773 0.000 0.474) 4.797 7.046 ( 2.476 0.000 -13.960) 14.178 7.046 ( 2.476 0.000 13.960) 14.178 7.142 ( -2.613 0.000 -8.218) 8.624 7.142 ( -2.613 0.000 8.218) 8.624 7.349 ( 1.285 0.000 -2.048) 2.418 7.349 ( 1.285 0.000 2.048) 2.418 7.510 ( -7.944 0.000 -6.537) 10.288 7.510 ( -7.944 0.000 6.537) 10.288 7.771 ( 13.065 0.000 -0.824) 13.091 7.771 ( 13.065 0.000 0.824) 13.091 8.016 ( 6.631 0.000 -4.369) 7.941 8.016 ( 6.631 0.000 4.369) 7.941 8.168 ( -4.734 0.000 -9.760) 10.847 8.168 ( -4.734 0.000 9.760) 10.847 8.383 ( -9.007 0.000 -13.551) 16.272 8.383 ( -9.007 0.000 13.551) 16.272 9.102 ( 8.599 0.000 -2.069) 8.845 9.102 ( 8.599 0.000 2.069) 8.845 9.338 ( -10.127 0.000 -3.095) 10.589 9.338 ( -10.127 0.000 3.095) 10.589 9.613 ( 8.631 0.000 -0.096) 8.631 9.613 ( 8.631 0.000 0.096) 8.631 9.792 ( -4.969 0.000 -0.980) 5.065 9.792 ( -4.969 0.000 0.980) 5.065 10.146 ( 0.584 0.000 -0.022) 0.584 10.146 ( 0.584 0.000 0.022) 0.584 10.162 ( -1.114 0.000 -3.338) 3.519 10.162 ( -1.114 0.000 3.338) 3.519 10.266 ( 5.303 0.000 -7.381) 9.088 10.266 ( 5.303 0.000 7.381) 9.088 10.390 ( -4.404 0.000 -2.940) 5.295 10.390 ( -4.404 0.000 2.940) 5.295 10.659 ( 5.100 0.000 -10.927) 12.059 10.659 ( 5.100 0.000 10.927) 12.059 10.799 ( -6.408 0.000 -11.862) 13.482 10.799 ( -6.408 0.000 11.862) 13.482 11.707 ( 3.390 0.000 -6.865) 7.656 11.707 ( 3.390 0.000 6.865) 7.656 11.751 ( -0.000 0.000 -9.855) 9.855 11.751 ( -0.000 0.000 9.855) 9.855 12.497 ( 2.369 0.000 -0.184) 2.376 12.497 ( 2.369 0.000 0.184) 2.376 12.628 ( -8.315 0.000 -0.474) 8.328 12.628 ( -8.315 0.000 0.474) 8.328 12.795 ( 4.935 0.000 -5.067) 7.073 12.795 ( 4.935 0.000 5.067) 7.073 12.883 ( -1.330 0.000 -2.768) 3.071 12.883 ( -1.330 0.000 2.768) 3.071 14.102 ( 5.299 0.000 -10.670) 11.914 14.102 ( 5.299 0.000 10.670) 11.914 14.232 ( -4.838 0.000 -10.108) 11.206 14.232 ( -4.838 0.000 10.108) 11.206 14.820 ( 1.007 0.000 -0.124) 1.014 14.820 ( 1.007 0.000 0.124) 1.014 14.844 ( -0.822 0.000 -1.369) 1.597 14.844 ( -0.822 0.000 1.369) 1.597 16.531 ( 8.374 0.000 -5.898) 10.243 16.531 ( 8.374 0.000 5.898) 10.243 16.783 ( -11.858 0.000 -11.413) 16.458 16.783 ( -11.858 0.000 11.413) 16.458 18.041 ( 11.300 0.000 -3.727) 11.899 18.041 ( 11.300 0.000 3.727) 11.899 18.270 ( -7.133 0.000 -3.573) 7.978 18.270 ( -7.133 0.000 3.573) 7.978 20.464 ( 10.801 0.000 -14.770) 18.298 20.464 ( 10.801 0.000 14.770) 18.298 20.799 ( -16.242 0.000 -2.495) 16.433 20.799 ( -16.242 0.000 2.495) 16.433 22.148 ( 14.179 0.000 -11.076) 17.992 22.148 ( 14.179 0.000 11.076) 17.992 22.431 ( -8.811 0.000 -19.156) 21.085 22.431 ( -8.811 0.000 19.156) 21.085 24.490 ( 9.022 0.000 -11.000) 14.226 24.490 ( 9.022 0.000 11.000) 14.226 24.764 ( -12.876 0.000 -11.956) 17.571 24.764 ( -12.876 0.000 11.956) 17.571 25.851 ( 9.211 0.000 -12.919) 15.866 25.851 ( 9.211 0.000 12.919) 15.866 26.036 ( -5.835 0.000 -13.195) 14.428 26.036 ( -5.835 0.000 13.195) 14.428 ======================= Grid point 141 (53/60) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( 0.000 5.969 -12.228) 13.607 2.965 ( 0.000 5.969 12.228) 13.607 3.076 ( 0.000 5.935 -14.691) 15.844 3.076 ( 0.000 5.935 14.691) 15.844 3.212 ( 0.000 7.326 -5.376) 9.087 3.212 ( 0.000 7.326 5.376) 9.087 3.522 ( 0.000 5.921 -4.086) 7.194 3.522 ( 0.000 5.921 4.086) 7.194 4.267 ( 0.000 3.723 -12.278) 12.830 4.267 ( 0.000 3.723 12.278) 12.830 4.614 ( 0.000 5.536 -1.845) 5.835 4.614 ( 0.000 5.536 1.845) 5.835 4.807 ( 0.000 2.533 -5.231) 5.812 4.807 ( 0.000 2.533 5.231) 5.812 5.041 ( 0.000 -10.955 -5.611) 12.309 5.041 ( 0.000 -10.955 5.611) 12.309 5.226 ( 0.000 5.692 -3.907) 6.903 5.226 ( 0.000 5.692 3.907) 6.903 5.833 ( 0.000 0.496 -4.968) 4.992 5.833 ( 0.000 0.496 4.968) 4.992 6.039 ( 0.000 1.116 -1.729) 2.058 6.039 ( 0.000 1.116 1.729) 2.058 6.181 ( 0.000 10.729 -5.402) 12.012 6.181 ( 0.000 10.729 5.402) 12.012 6.692 ( 0.000 -9.035 -9.619) 13.197 6.692 ( 0.000 -9.035 9.619) 13.197 6.724 ( 0.000 0.852 -2.132) 2.296 6.724 ( 0.000 0.852 2.132) 2.296 7.078 ( 0.000 -0.178 -5.731) 5.734 7.078 ( 0.000 -0.178 5.731) 5.734 7.081 ( 0.000 2.755 -7.840) 8.310 7.081 ( 0.000 2.755 7.840) 8.310 7.409 ( 0.000 -6.034 -5.456) 8.135 7.409 ( 0.000 -6.034 5.456) 8.135 7.479 ( 0.000 -6.170 -6.118) 8.689 7.479 ( 0.000 -6.170 6.118) 8.689 7.714 ( 0.000 4.747 -6.330) 7.912 7.714 ( 0.000 4.747 6.330) 7.912 7.806 ( 0.000 3.709 -7.595) 8.452 7.806 ( 0.000 3.709 7.595) 8.452 8.378 ( 0.000 2.264 -6.680) 7.053 8.378 ( 0.000 2.264 6.680) 7.053 8.474 ( 0.000 0.405 -7.018) 7.029 8.474 ( 0.000 0.405 7.018) 7.029 9.037 ( 0.000 4.235 -4.908) 6.482 9.037 ( 0.000 4.235 4.908) 6.482 9.447 ( 0.000 -3.606 -5.377) 6.474 9.447 ( 0.000 -3.606 5.377) 6.474 9.522 ( 0.000 2.873 -3.166) 4.275 9.522 ( 0.000 2.873 3.166) 4.275 9.760 ( 0.000 -5.788 -2.722) 6.396 9.760 ( 0.000 -5.788 2.722) 6.396 10.013 ( 0.000 -4.853 -1.654) 5.127 10.013 ( 0.000 -4.853 1.654) 5.127 10.182 ( 0.000 -1.367 -3.855) 4.090 10.182 ( 0.000 -1.367 3.855) 4.090 10.328 ( 0.000 7.358 -7.808) 10.729 10.328 ( 0.000 7.358 7.808) 10.729 10.488 ( 0.000 2.937 -4.015) 4.975 10.488 ( 0.000 2.937 4.015) 4.975 10.648 ( 0.000 6.454 -4.758) 8.019 10.648 ( 0.000 6.454 4.758) 8.019 10.944 ( 0.000 4.788 -11.780) 12.716 10.944 ( 0.000 4.788 11.780) 12.716 11.666 ( 0.000 1.503 -5.917) 6.105 11.666 ( 0.000 1.503 5.917) 6.105 11.717 ( 0.000 -2.129 -8.806) 9.059 11.717 ( 0.000 -2.129 8.806) 9.059 12.512 ( 0.000 2.341 -4.586) 5.149 12.512 ( 0.000 2.341 4.586) 5.149 12.723 ( 0.000 0.332 -6.145) 6.154 12.723 ( 0.000 0.332 6.145) 6.154 12.823 ( 0.000 0.367 -1.801) 1.838 12.823 ( 0.000 0.367 1.801) 1.838 12.854 ( 0.000 2.945 -3.500) 4.574 12.854 ( 0.000 2.945 3.500) 4.574 14.030 ( 0.000 -0.192 -9.224) 9.226 14.030 ( 0.000 -0.192 9.224) 9.226 14.256 ( 0.000 -3.452 -8.643) 9.307 14.256 ( 0.000 -3.452 8.643) 9.307 14.701 ( 0.000 -9.268 -0.467) 9.280 14.701 ( 0.000 -9.268 0.467) 9.280 14.803 ( 0.000 -6.292 -4.616) 7.804 14.803 ( 0.000 -6.292 4.616) 7.804 16.459 ( 0.000 3.098 -3.782) 4.889 16.459 ( 0.000 3.098 3.782) 4.889 17.014 ( 0.000 5.167 -15.959) 16.775 17.014 ( 0.000 5.167 15.959) 16.775 17.785 ( 0.000 -7.948 -3.821) 8.819 17.785 ( 0.000 -7.948 3.821) 8.819 18.306 ( 0.000 -4.805 -6.186) 7.832 18.306 ( 0.000 -4.805 6.186) 7.832 20.434 ( 0.000 9.491 -17.888) 20.249 20.434 ( 0.000 9.491 17.888) 20.249 21.074 ( 0.000 2.049 -9.992) 10.200 21.074 ( 0.000 2.049 9.992) 10.200 21.903 ( 0.000 -1.628 -2.436) 2.930 21.903 ( 0.000 -1.628 2.436) 2.930 22.458 ( 0.000 -7.472 -21.501) 22.762 22.458 ( 0.000 -7.472 21.501) 22.762 24.394 ( 0.000 1.062 -7.600) 7.674 24.394 ( 0.000 1.062 7.600) 7.674 24.906 ( 0.000 -5.107 -10.489) 11.666 24.906 ( 0.000 -5.107 10.489) 11.666 25.724 ( 0.000 1.739 -11.116) 11.251 25.724 ( 0.000 1.739 11.116) 11.251 26.084 ( 0.000 -2.124 -12.021) 12.208 26.084 ( 0.000 -2.124 12.021) 12.208 ======================= Grid point 143 (54/60) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( 1.286 5.869 -12.052) 13.467 2.978 ( 1.286 5.869 12.052) 13.467 3.028 ( -2.763 6.011 -12.675) 14.297 3.028 ( -2.763 6.011 12.675) 14.297 3.292 ( 5.652 7.017 -4.398) 10.026 3.292 ( 5.652 7.017 4.398) 10.026 3.440 ( -6.104 6.493 -4.006) 9.770 3.440 ( -6.104 6.492 4.006) 9.770 4.356 ( 7.510 2.909 -10.211) 13.005 4.356 ( 7.510 2.909 10.211) 13.005 4.578 ( -9.303 1.138 -3.221) 9.911 4.578 ( -9.303 1.138 3.221) 9.911 4.762 ( 5.556 4.963 -2.819) 7.966 4.762 ( 5.556 4.963 2.819) 7.966 4.935 ( -7.017 1.943 -1.241) 7.386 4.935 ( -7.017 1.943 1.241) 7.386 5.453 ( 13.089 -3.687 -5.747) 14.763 5.453 ( 13.089 -3.687 5.747) 14.763 5.719 ( -8.830 -1.824 -4.189) 9.942 5.719 ( -8.830 -1.824 4.189) 9.942 6.085 ( 3.425 2.169 -2.720) 4.882 6.085 ( 3.425 2.169 2.720) 4.882 6.170 ( -2.539 7.051 -3.420) 8.238 6.170 ( -2.539 7.051 3.420) 8.238 6.637 ( 1.702 -2.729 -8.181) 8.791 6.637 ( 1.702 -2.729 8.181) 8.791 6.741 ( -3.684 0.587 -4.227) 5.638 6.741 ( -3.684 0.587 4.227) 5.638 7.013 ( 1.286 -2.434 -10.334) 10.695 7.013 ( 1.286 -2.434 10.334) 10.695 7.115 ( -6.048 -2.622 -5.791) 8.774 7.115 ( -6.048 -2.622 5.791) 8.774 7.346 ( 6.996 0.976 -4.659) 8.461 7.346 ( 6.996 0.976 4.659) 8.461 7.539 ( -6.379 1.569 -7.554) 10.011 7.539 ( -6.379 1.569 7.554) 10.011 7.761 ( 10.821 -0.890 -1.073) 10.910 7.761 ( 10.821 -0.890 1.073) 10.910 7.991 ( 2.498 -1.621 -6.301) 6.969 7.991 ( 2.498 -1.621 6.301) 6.969 8.193 ( -1.438 1.613 -10.411) 10.633 8.193 ( -1.438 1.613 10.411) 10.633 8.424 ( -9.572 3.349 -10.337) 14.481 8.424 ( -9.572 3.349 10.337) 14.481 9.117 ( 8.411 1.740 -3.588) 9.308 9.117 ( 8.411 1.740 3.588) 9.308 9.359 ( -10.532 2.248 -3.682) 11.381 9.359 ( -10.532 2.248 3.682) 11.381 9.595 ( 8.958 -2.241 -2.593) 9.591 9.595 ( 8.958 -2.241 2.593) 9.591 9.755 ( -3.394 -3.398 -2.451) 5.392 9.755 ( -3.394 -3.398 2.451) 5.392 10.045 ( 3.869 -4.884 -3.997) 7.403 10.045 ( 3.869 -4.884 3.997) 7.403 10.172 ( -5.052 -1.442 -3.706) 6.430 10.172 ( -5.052 -1.442 3.706) 6.430 10.318 ( 4.347 4.668 -4.305) 7.695 10.318 ( 4.347 4.668 4.305) 7.695 10.443 ( -4.343 4.353 -3.049) 6.863 10.443 ( -4.343 4.353 3.049) 6.863 10.719 ( 5.179 5.695 -8.230) 11.269 10.719 ( 5.179 5.695 8.230) 11.269 10.858 ( -6.046 5.421 -10.638) 13.384 10.858 ( -6.046 5.421 10.638) 13.384 11.718 ( 2.985 1.133 -6.112) 6.896 11.718 ( 2.985 1.133 6.112) 6.896 11.743 ( 1.067 -0.770 -8.066) 8.172 11.743 ( 1.067 -0.770 8.066) 8.172 12.512 ( 1.815 1.331 -4.201) 4.766 12.512 ( 1.815 1.331 4.201) 4.766 12.636 ( -7.996 0.582 -3.569) 8.776 12.636 ( -7.996 0.582 3.569) 8.776 12.816 ( 4.803 2.095 -4.995) 7.239 12.816 ( 4.803 2.095 4.995) 7.239 12.901 ( -1.189 1.738 -2.547) 3.305 12.901 ( -1.189 1.738 2.547) 3.305 14.088 ( 4.474 -1.310 -9.587) 10.661 14.088 ( 4.474 -1.310 9.587) 10.661 14.201 ( -4.321 -2.953 -9.204) 10.588 14.201 ( -4.321 -2.953 9.204) 10.588 14.730 ( 2.116 -8.374 -1.414) 8.752 14.730 ( 2.116 -8.374 1.414) 8.752 14.780 ( -1.822 -6.925 -3.632) 8.029 14.780 ( -1.822 -6.925 3.632) 8.029 16.563 ( 8.525 3.191 -5.493) 10.631 16.563 ( 8.525 3.191 5.493) 10.631 16.822 ( -12.391 3.768 -10.689) 16.793 16.822 ( -12.391 3.768 10.689) 16.793 17.976 ( 12.086 -6.262 -6.413) 15.047 17.976 ( 12.086 -6.262 6.413) 15.047 18.218 ( -7.491 -5.138 -6.712) 11.294 18.218 ( -7.491 -5.138 6.712) 11.294 20.548 ( 9.589 8.102 -13.396) 18.359 20.548 ( 9.589 8.102 13.396) 18.359 20.848 ( -14.547 4.691 -1.562) 15.364 20.848 ( -14.547 4.691 1.562) 15.364 22.107 ( 12.820 -3.941 -10.658) 17.131 22.107 ( 12.820 -3.941 10.658) 17.131 22.364 ( -8.003 -6.535 -18.870) 21.514 22.364 ( -8.003 -6.535 18.870) 21.514 24.493 ( 8.200 0.103 -8.020) 11.471 24.493 ( 8.200 0.103 8.020) 11.471 24.739 ( -11.405 -2.618 -9.343) 14.974 24.739 ( -11.405 -2.618 9.343) 14.974 25.849 ( 8.232 -0.116 -11.635) 14.253 25.849 ( 8.232 -0.116 11.635) 14.253 26.019 ( -5.450 -1.685 -11.980) 13.269 26.019 ( -5.450 -1.685 11.980) 13.269 ======================= Grid point 147 (55/60) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.125 ( 0.000 10.193 -14.605) 17.810 3.125 ( 0.000 10.193 14.605) 17.810 3.240 ( 0.000 10.690 -15.685) 18.981 3.240 ( 0.000 10.690 15.685) 18.981 3.395 ( 0.000 10.616 -8.514) 13.608 3.395 ( 0.000 10.616 8.514) 13.608 3.682 ( 0.000 10.344 -2.922) 10.748 3.682 ( 0.000 10.344 2.922) 10.748 4.337 ( 0.000 2.666 -9.132) 9.513 4.337 ( 0.000 2.666 9.132) 9.513 4.689 ( 0.000 -3.166 -4.500) 5.502 4.689 ( 0.000 -3.166 4.500) 5.502 4.822 ( 0.000 -7.271 -6.877) 10.008 4.822 ( 0.000 -7.271 6.877) 10.008 4.894 ( 0.000 6.245 -10.338) 12.078 4.894 ( 0.000 6.245 10.338) 12.078 5.339 ( 0.000 4.894 -3.338) 5.924 5.339 ( 0.000 4.894 3.338) 5.924 5.853 ( 0.000 2.114 -6.561) 6.893 5.853 ( 0.000 2.114 6.561) 6.893 6.068 ( 0.000 1.713 -2.987) 3.443 6.068 ( 0.000 1.713 2.987) 3.443 6.298 ( 0.000 -3.712 -5.472) 6.613 6.298 ( 0.000 -3.712 5.472) 6.613 6.613 ( 0.000 6.032 -7.189) 9.384 6.613 ( 0.000 6.032 7.189) 9.384 6.740 ( 0.000 0.844 -1.969) 2.143 6.740 ( 0.000 0.844 1.969) 2.143 7.030 ( 0.000 -4.909 -2.086) 5.334 7.030 ( 0.000 -4.909 2.086) 5.334 7.163 ( 0.000 5.515 -5.205) 7.583 7.163 ( 0.000 5.515 5.205) 7.583 7.328 ( 0.000 -1.680 -10.440) 10.574 7.328 ( 0.000 -1.680 10.440) 10.574 7.426 ( 0.000 1.159 -12.067) 12.122 7.426 ( 0.000 1.159 12.067) 12.122 7.787 ( 0.000 2.491 -7.241) 7.658 7.787 ( 0.000 2.491 7.241) 7.658 7.859 ( 0.000 1.749 -7.591) 7.790 7.859 ( 0.000 1.749 7.591) 7.790 8.394 ( 0.000 -0.766 -7.922) 7.959 8.394 ( 0.000 -0.766 7.922) 7.959 8.446 ( 0.000 -3.486 -1.831) 3.938 8.446 ( 0.000 -3.486 1.831) 3.938 9.139 ( 0.000 4.220 -9.848) 10.714 9.139 ( 0.000 4.220 9.848) 10.714 9.324 ( 0.000 -8.204 -4.369) 9.294 9.324 ( 0.000 -8.204 4.369) 9.294 9.620 ( 0.000 6.724 -5.046) 8.407 9.620 ( 0.000 6.724 5.046) 8.407 9.682 ( 0.000 0.246 -5.953) 5.958 9.682 ( 0.000 0.246 5.953) 5.958 9.986 ( 0.000 1.693 -5.372) 5.632 9.986 ( 0.000 1.693 5.372) 5.632 10.151 ( 0.000 -1.715 -0.713) 1.857 10.151 ( 0.000 -1.715 0.713) 1.857 10.449 ( 0.000 5.412 -7.579) 9.313 10.449 ( 0.000 5.412 7.579) 9.313 10.545 ( 0.000 2.676 -4.759) 5.460 10.545 ( 0.000 2.676 4.759) 5.460 10.803 ( 0.000 8.507 -4.096) 9.442 10.803 ( 0.000 8.507 4.096) 9.442 11.036 ( 0.000 3.356 -9.425) 10.005 11.036 ( 0.000 3.356 9.425) 10.005 11.677 ( 0.000 -1.194 -3.424) 3.626 11.677 ( 0.000 -1.194 3.424) 3.626 11.712 ( 0.000 3.206 -5.569) 6.426 11.712 ( 0.000 3.206 5.569) 6.426 12.556 ( 0.000 1.716 -9.623) 9.775 12.556 ( 0.000 1.716 9.623) 9.775 12.732 ( 0.000 0.365 -3.917) 3.934 12.732 ( 0.000 0.365 3.917) 3.934 12.827 ( 0.000 0.085 -2.777) 2.778 12.827 ( 0.000 0.085 2.777) 2.778 12.924 ( 0.000 3.853 -5.578) 6.780 12.924 ( 0.000 3.853 5.578) 6.780 14.024 ( 0.000 -0.559 -4.095) 4.133 14.024 ( 0.000 -0.559 4.095) 4.133 14.180 ( 0.000 -3.688 -3.813) 5.305 14.180 ( 0.000 -3.688 3.814) 5.305 14.488 ( 0.000 -11.841 -3.097) 12.240 14.488 ( 0.000 -11.841 3.097) 12.240 14.612 ( 0.000 -12.707 -6.314) 14.189 14.612 ( 0.000 -12.707 6.314) 14.189 16.549 ( 0.000 6.070 -3.153) 6.840 16.549 ( 0.000 6.070 3.153) 6.840 17.151 ( 0.000 8.652 -14.766) 17.114 17.151 ( 0.000 8.652 14.766) 17.114 17.586 ( 0.000 -12.012 -5.870) 13.370 17.586 ( 0.000 -12.012 5.870) 13.370 18.175 ( 0.000 -8.435 -10.050) 13.120 18.175 ( 0.000 -8.435 10.050) 13.120 20.659 ( 0.000 12.561 -14.015) 18.820 20.659 ( 0.000 12.561 14.015) 18.820 21.123 ( 0.000 2.593 -12.645) 12.908 21.123 ( 0.000 2.593 12.645) 12.908 21.870 ( 0.000 -1.473 -4.554) 4.786 21.870 ( 0.000 -1.473 4.554) 4.786 22.275 ( 0.000 -10.594 -21.797) 24.235 22.275 ( 0.000 -10.594 21.797) 24.235 24.416 ( 0.000 1.060 -1.741) 2.038 24.416 ( 0.000 1.060 1.741) 2.038 24.776 ( 0.000 -7.841 -5.966) 9.852 24.776 ( 0.000 -7.841 5.966) 9.852 25.765 ( 0.000 2.315 -8.237) 8.556 25.765 ( 0.000 2.315 8.237) 8.556 26.028 ( 0.000 -3.463 -9.503) 10.115 26.028 ( 0.000 -3.463 9.503) 10.115 ======================= Grid point 149 (56/60) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( 1.356 10.276 -13.952) 17.381 3.137 ( 1.356 10.276 13.952) 17.381 3.192 ( -3.014 10.658 -14.375) 18.148 3.192 ( -3.014 10.658 14.375) 18.148 3.465 ( 5.158 9.874 -7.214) 13.272 3.465 ( 5.158 9.874 7.214) 13.272 3.603 ( -5.790 9.636 -4.402) 12.073 3.603 ( -5.790 9.636 4.402) 12.073 4.433 ( 7.424 4.590 -10.347) 13.537 4.433 ( 7.424 4.590 10.347) 13.537 4.630 ( -8.338 3.130 -5.619) 10.531 4.630 ( -8.338 3.130 5.619) 10.530 4.793 ( 5.479 -3.885 -6.030) 9.027 4.793 ( 5.479 -3.885 6.030) 9.027 4.927 ( -3.427 -2.095 -2.446) 4.703 4.927 ( -3.427 -2.095 2.446) 4.703 5.427 ( 9.041 1.101 -2.238) 9.379 5.427 ( 9.041 1.101 2.238) 9.379 5.694 ( -11.474 -0.032 -2.493) 11.742 5.694 ( -11.474 -0.032 2.493) 11.742 6.135 ( 5.385 2.745 -1.937) 6.347 6.135 ( 5.385 2.745 1.937) 6.347 6.271 ( -4.659 1.877 -4.966) 7.063 6.271 ( -4.659 1.877 4.966) 7.063 6.623 ( 5.182 3.058 -10.155) 11.804 6.623 ( 5.182 3.058 10.155) 11.804 6.777 ( -3.580 3.339 -3.949) 6.290 6.777 ( -3.580 3.339 3.949) 6.290 6.978 ( 1.087 -0.629 -9.350) 9.434 6.978 ( 1.087 -0.629 9.350) 9.434 7.087 ( -6.625 0.413 -2.579) 7.121 7.087 ( -6.625 0.413 2.579) 7.121 7.372 ( 9.141 0.742 -7.376) 11.769 7.372 ( 9.141 0.742 7.376) 11.769 7.554 ( -1.936 0.309 -6.909) 7.182 7.554 ( -1.936 0.309 6.909) 7.182 7.740 ( 4.835 -1.352 -1.558) 5.256 7.740 ( 4.835 -1.352 1.558) 5.256 7.951 ( -4.908 -3.202 -5.082) 7.757 7.951 ( -4.908 -3.202 5.082) 7.757 8.222 ( 4.457 1.816 -9.542) 10.688 8.222 ( 4.457 1.816 9.542) 10.688 8.468 ( -8.541 0.305 -7.048) 11.078 8.468 ( -8.541 0.305 7.048) 11.078 9.171 ( 8.206 3.338 -2.628) 9.241 9.171 ( 8.206 3.338 2.628) 9.241 9.428 ( -11.252 4.866 -3.574) 12.769 9.428 ( -11.252 4.866 3.574) 12.769 9.515 ( 9.804 -5.731 -5.259) 12.514 9.515 ( 9.804 -5.731 5.259) 12.514 9.687 ( -3.955 -2.427 -5.167) 6.944 9.687 ( -3.955 -2.427 5.167) 6.944 10.009 ( 4.369 1.167 -2.433) 5.135 10.009 ( 4.369 1.167 2.433) 5.135 10.149 ( -4.670 -0.434 -0.951) 4.785 10.149 ( -4.670 -0.434 0.951) 4.785 10.421 ( 3.032 5.787 -3.245) 7.295 10.421 ( 3.032 5.787 3.245) 7.295 10.532 ( -3.655 4.490 -0.941) 5.865 10.532 ( -3.655 4.490 0.941) 5.865 10.850 ( 4.363 6.999 -4.172) 9.243 10.850 ( 4.363 6.999 4.172) 9.243 10.972 ( -4.965 5.329 -6.331) 9.651 10.972 ( -4.965 5.329 6.331) 9.651 11.723 ( 3.107 -0.740 -5.381) 6.258 11.723 ( 3.107 -0.740 5.381) 6.258 11.750 ( 1.360 1.774 -3.368) 4.043 11.750 ( 1.360 1.774 3.368) 4.043 12.539 ( 0.952 1.288 -8.707) 8.853 12.539 ( 0.952 1.288 8.707) 8.853 12.644 ( -6.962 0.272 -7.314) 10.101 12.644 ( -6.962 0.272 7.314) 10.101 12.866 ( 4.570 2.667 -5.399) 7.560 12.866 ( 4.570 2.667 5.399) 7.560 12.943 ( -1.024 2.427 -3.298) 4.221 12.943 ( -1.024 2.427 3.298) 4.221 14.057 ( 2.694 -1.784 -4.622) 5.639 14.057 ( 2.694 -1.784 4.622) 5.639 14.134 ( -3.354 -3.451 -4.547) 6.621 14.134 ( -3.354 -3.451 4.547) 6.621 14.528 ( 2.735 -11.701 -3.805) 12.605 14.528 ( 2.735 -11.701 3.805) 12.605 14.588 ( -2.038 -12.227 -5.557) 13.584 14.588 ( -2.038 -12.227 5.557) 13.584 16.650 ( 8.402 5.626 -4.606) 11.112 16.650 ( 8.402 5.626 4.606) 11.112 16.915 ( -13.438 5.377 -9.009) 17.049 16.915 ( -13.438 5.377 9.009) 17.049 17.825 ( 13.561 -8.509 -9.780) 18.761 17.825 ( 13.561 -8.509 9.780) 18.761 18.084 ( -7.796 -8.258 -10.401) 15.399 18.084 ( -7.796 -8.258 10.401) 15.399 20.741 ( 6.964 10.807 -9.727) 16.121 20.741 ( 6.964 10.807 9.727) 16.121 20.960 ( -10.629 6.288 -2.142) 12.534 20.960 ( -10.629 6.288 2.142) 12.534 22.014 ( 9.329 -5.086 -10.485) 14.927 22.014 ( 9.329 -5.086 10.485) 14.927 22.204 ( -5.985 -9.159 -18.941) 21.874 22.204 ( -5.985 -9.159 18.941) 21.874 24.490 ( 6.081 -0.467 -2.510) 6.595 24.490 ( 6.081 -0.467 2.510) 6.595 24.666 ( -7.828 -4.648 -4.559) 10.181 24.666 ( -7.828 -4.648 4.559) 10.181 25.848 ( 5.821 0.013 -8.726) 10.490 25.848 ( 5.821 0.013 8.726) 10.490 25.976 ( -4.322 -2.607 -9.317) 10.596 25.976 ( -4.322 -2.607 9.317) 10.596 ======================= Grid point 153 (57/60) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.349 ( 0.000 12.725 -16.215) 20.612 3.349 ( 0.000 12.725 16.215) 20.612 3.471 ( 0.000 12.558 -15.534) 19.976 3.471 ( 0.000 12.558 15.534) 19.976 3.587 ( 0.000 8.579 -9.802) 13.026 3.587 ( 0.000 8.579 9.802) 13.026 3.891 ( 0.000 8.739 -8.315) 12.063 3.891 ( 0.000 8.739 8.315) 12.063 4.355 ( 0.000 -0.526 -4.331) 4.362 4.355 ( 0.000 -0.526 4.331) 4.362 4.492 ( 0.000 -9.754 -2.065) 9.970 4.492 ( 0.000 -9.754 2.064) 9.970 4.751 ( 0.000 -5.074 -7.591) 9.131 4.751 ( 0.000 -5.074 7.591) 9.131 5.007 ( 0.000 2.979 -11.413) 11.795 5.007 ( 0.000 2.979 11.413) 11.795 5.401 ( 0.000 2.796 -4.456) 5.260 5.401 ( 0.000 2.796 4.456) 5.260 5.888 ( 0.000 -1.486 -2.676) 3.061 5.888 ( 0.000 -1.486 2.676) 3.061 6.110 ( 0.000 2.998 -8.389) 8.908 6.110 ( 0.000 2.998 8.389) 8.908 6.197 ( 0.000 -1.651 -7.311) 7.495 6.197 ( 0.000 -1.651 7.311) 7.495 6.773 ( 0.000 2.885 -5.304) 6.038 6.773 ( 0.000 2.885 5.304) 6.038 6.793 ( 0.000 8.925 -4.886) 10.175 6.793 ( 0.000 8.925 4.886) 10.175 6.932 ( 0.000 -3.536 -8.793) 9.477 6.932 ( 0.000 -3.536 8.793) 9.477 7.247 ( 0.000 0.960 -8.331) 8.386 7.247 ( 0.000 0.960 8.331) 8.386 7.361 ( 0.000 5.505 -9.362) 10.860 7.361 ( 0.000 5.505 9.362) 10.860 7.492 ( 0.000 4.393 -12.355) 13.113 7.492 ( 0.000 4.393 12.355) 13.113 7.807 ( 0.000 -0.411 -6.809) 6.821 7.807 ( 0.000 -0.411 6.809) 6.821 7.860 ( 0.000 -2.011 -7.213) 7.488 7.860 ( 0.000 -2.011 7.213) 7.488 8.359 ( 0.000 -4.288 -8.128) 9.190 8.359 ( 0.000 -4.288 8.128) 9.190 8.369 ( 0.000 -1.136 -11.290) 11.347 8.369 ( 0.000 -1.136 11.290) 11.347 9.142 ( 0.000 -3.046 -11.392) 11.792 9.142 ( 0.000 -3.046 11.392) 11.792 9.166 ( 0.000 -7.299 -4.982) 8.838 9.166 ( 0.000 -7.299 4.982) 8.838 9.764 ( 0.000 7.706 -4.231) 8.791 9.764 ( 0.000 7.706 4.231) 8.791 9.810 ( 0.000 10.660 -2.885) 11.043 9.810 ( 0.000 10.660 2.885) 11.043 10.049 ( 0.000 4.010 -8.047) 8.991 10.049 ( 0.000 4.010 8.047) 8.991 10.119 ( 0.000 -1.423 -2.995) 3.316 10.119 ( 0.000 -1.423 2.995) 3.316 10.542 ( 0.000 4.095 -8.864) 9.765 10.542 ( 0.000 4.095 8.864) 9.765 10.588 ( 0.000 1.755 -9.602) 9.761 10.588 ( 0.000 1.755 9.602) 9.761 10.939 ( 0.000 4.670 -7.805) 9.095 10.939 ( 0.000 4.670 7.805) 9.095 11.042 ( 0.000 -2.451 -7.150) 7.559 11.042 ( 0.000 -2.451 7.150) 7.559 11.695 ( 0.000 3.101 -3.643) 4.784 11.695 ( 0.000 3.101 3.643) 4.784 11.782 ( 0.000 3.488 -5.145) 6.216 11.782 ( 0.000 3.488 5.145) 6.216 12.574 ( 0.000 0.501 -14.658) 14.666 12.574 ( 0.000 0.501 14.658) 14.666 12.725 ( 0.000 -1.454 -6.077) 6.248 12.725 ( 0.000 -1.454 6.077) 6.248 12.838 ( 0.000 1.546 -6.138) 6.330 12.838 ( 0.000 1.546 6.138) 6.330 12.984 ( 0.000 1.858 -7.414) 7.643 12.984 ( 0.000 1.858 7.414) 7.643 14.004 ( 0.000 -1.313 -5.159) 5.324 14.004 ( 0.000 -1.313 5.159) 5.324 14.135 ( 0.000 -0.874 -5.235) 5.308 14.135 ( 0.000 -0.874 5.235) 5.308 14.270 ( 0.000 -10.419 -5.359) 11.716 14.270 ( 0.000 -10.419 5.359) 11.716 14.352 ( 0.000 -12.575 -5.988) 13.928 14.352 ( 0.000 -12.575 5.988) 13.928 16.691 ( 0.000 8.516 -3.017) 9.035 16.691 ( 0.000 8.516 3.017) 9.035 17.339 ( 0.000 10.546 -13.866) 17.420 17.339 ( 0.000 10.546 13.866) 17.420 17.340 ( 0.000 -12.915 -6.483) 14.451 17.340 ( 0.000 -12.915 6.483) 14.451 17.989 ( 0.000 -10.568 -12.406) 16.297 17.989 ( 0.000 -10.568 12.406) 16.297 20.886 ( 0.000 10.344 -10.210) 14.534 20.886 ( 0.000 10.344 10.210) 14.534 21.159 ( 0.000 0.807 -14.802) 14.824 21.159 ( 0.000 0.807 14.802) 14.824 21.856 ( 0.000 0.171 -9.283) 9.285 21.856 ( 0.000 0.171 9.283) 9.285 22.079 ( 0.000 -8.931 -22.775) 24.464 22.079 ( 0.000 -8.931 22.775) 24.464 24.433 ( 0.000 0.838 -5.133) 5.201 24.433 ( 0.000 0.838 5.133) 5.201 24.625 ( 0.000 -7.176 -5.860) 9.265 24.625 ( 0.000 -7.176 5.860) 9.265 25.808 ( 0.000 2.085 -4.898) 5.324 25.808 ( 0.000 2.085 4.898) 5.324 25.958 ( 0.000 -3.596 -6.822) 7.711 25.958 ( 0.000 -3.596 6.822) 7.711 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.365 ( 1.648 12.904 -15.214) 20.017 3.365 ( 1.648 12.904 15.214) 20.017 3.427 ( -3.121 13.013 -15.183) 20.238 3.427 ( -3.121 13.013 15.183) 20.238 3.642 ( 4.390 7.825 -8.131) 12.109 3.642 ( 4.390 7.825 8.131) 12.109 3.777 ( -6.783 7.185 -6.420) 11.783 3.777 ( -6.783 7.185 6.420) 11.783 4.510 ( 7.580 1.605 -8.179) 11.266 4.510 ( 7.580 1.605 8.179) 11.266 4.545 ( 3.962 -11.342 -3.850) 12.616 4.545 ( 3.962 -11.342 3.851) 12.616 4.720 ( 0.168 -2.914 -5.751) 6.449 4.720 ( 0.168 -2.914 5.751) 6.449 4.893 ( -9.532 0.016 -5.234) 10.874 4.893 ( -9.532 0.016 5.234) 10.874 5.468 ( 7.273 3.079 -2.423) 8.261 5.468 ( 7.273 3.079 2.423) 8.261 5.715 ( -12.170 1.497 -4.843) 13.183 5.715 ( -12.170 1.497 4.843) 13.183 6.166 ( 7.058 -0.578 -3.474) 7.888 6.166 ( 7.058 -0.578 3.474) 7.888 6.286 ( -0.507 1.361 -4.881) 5.093 6.286 ( -0.507 1.361 4.881) 5.093 6.729 ( 3.814 6.922 -7.971) 11.225 6.729 ( 3.814 6.922 7.971) 11.225 6.876 ( -2.728 5.864 -2.932) 7.101 6.876 ( -2.728 5.864 2.932) 7.101 6.994 ( 5.188 2.306 -7.904) 9.732 6.994 ( 5.188 2.306 7.904) 9.732 7.136 ( -7.622 4.751 -6.255) 10.945 7.136 ( -7.622 4.751 6.255) 10.945 7.357 ( 6.644 -2.501 -7.868) 10.597 7.357 ( 6.644 -2.501 7.868) 10.597 7.546 ( -4.562 -2.010 -4.403) 6.651 7.546 ( -4.562 -2.010 4.403) 6.651 7.712 ( 1.697 -1.172 -1.279) 2.427 7.712 ( 1.697 -1.172 1.279) 2.427 7.865 ( -6.940 -4.921 -0.884) 8.553 7.865 ( -6.940 -4.921 0.884) 8.553 8.270 ( 5.379 2.732 -6.387) 8.786 8.270 ( 5.379 2.732 6.387) 8.786 8.431 ( -4.727 -3.457 -6.388) 8.666 8.431 ( -4.727 -3.457 6.388) 8.666 9.210 ( 11.252 0.069 -6.192) 12.844 9.210 ( 11.252 0.069 6.192) 12.844 9.396 ( 11.181 -5.466 -5.997) 13.815 9.396 ( 11.181 -5.466 5.997) 13.815 9.550 ( -12.655 7.111 -4.533) 15.207 9.550 ( -12.655 7.111 4.533) 15.207 9.692 ( -10.767 2.319 -7.883) 13.544 9.692 ( -10.767 2.319 7.883) 13.544 10.064 ( 4.324 3.710 -5.078) 7.632 10.064 ( 4.324 3.710 5.078) 7.632 10.161 ( -2.318 1.744 -3.774) 4.760 10.161 ( -2.318 1.744 3.774) 4.760 10.537 ( 2.996 5.945 -2.150) 6.996 10.537 ( 2.996 5.945 2.150) 6.996 10.611 ( -1.391 3.554 -3.668) 5.293 10.611 ( -1.391 3.554 3.668) 5.293 10.959 ( 2.622 3.606 -7.054) 8.345 10.959 ( 2.622 3.606 7.054) 8.345 11.032 ( -2.149 0.487 -4.122) 4.674 11.032 ( -2.149 0.487 4.122) 4.674 11.727 ( 2.871 1.336 -2.857) 4.265 11.727 ( 2.871 1.336 2.857) 4.265 11.784 ( -0.975 1.474 -2.955) 3.443 11.784 ( -0.975 1.474 2.955) 3.443 12.561 ( 1.061 1.213 -12.841) 12.941 12.561 ( 1.061 1.213 12.841) 12.941 12.651 ( -5.485 0.583 -10.722) 12.058 12.651 ( -5.485 0.583 10.722) 12.058 12.903 ( 4.583 0.972 -5.804) 7.459 12.903 ( 4.583 0.972 5.804) 7.459 12.981 ( -1.429 0.983 -5.282) 5.560 12.981 ( -1.429 0.983 5.282) 5.560 14.024 ( 1.756 -1.404 -4.304) 4.856 14.024 ( 1.756 -1.404 4.304) 4.855 14.084 ( -3.134 -1.526 -3.820) 5.172 14.084 ( -3.134 -1.526 3.820) 5.172 14.308 ( 2.134 -10.305 -4.558) 11.468 14.308 ( 2.134 -10.305 4.558) 11.468 14.344 ( -0.841 -11.699 -5.526) 12.966 14.344 ( -0.841 -11.699 5.526) 12.965 16.773 ( 6.969 6.910 -4.198) 10.674 16.773 ( 6.969 6.910 4.199) 10.674 17.006 ( -12.650 3.176 -7.036) 14.820 17.006 ( -12.650 3.176 7.036) 14.820 17.680 ( 13.004 -5.477 -12.167) 18.632 17.680 ( 13.004 -5.477 12.167) 18.632 17.913 ( -6.629 -9.052 -12.553) 16.836 17.913 ( -6.629 -9.052 12.553) 16.836 20.935 ( 4.177 8.593 -7.258) 11.999 20.935 ( 4.177 8.593 7.258) 11.999 21.067 ( -6.324 4.182 -7.788) 10.869 21.067 ( -6.324 4.182 7.788) 10.869 21.930 ( 5.060 -3.267 -12.314) 13.708 21.930 ( 5.060 -3.267 12.314) 13.708 22.038 ( -3.516 -7.409 -19.839) 21.467 22.038 ( -3.516 -7.409 19.839) 21.467 24.476 ( 3.484 -0.743 -4.957) 6.104 24.476 ( 3.484 -0.743 4.957) 6.104 24.572 ( -3.983 -4.661 -5.264) 8.081 24.572 ( -3.983 -4.661 5.264) 8.081 25.850 ( 3.155 0.263 -5.443) 6.297 25.850 ( 3.155 0.263 5.443) 6.297 25.925 ( -2.676 -2.501 -6.408) 7.382 25.925 ( -2.676 -2.501 6.408) 7.382 ======================= Grid point 159 (59/60) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.602 ( 0.000 12.415 -15.002) 19.473 3.602 ( 0.000 12.415 15.002) 19.473 3.691 ( 0.000 9.193 -16.673) 19.039 3.691 ( 0.000 9.193 16.673) 19.039 3.704 ( 0.000 2.401 -8.112) 8.460 3.704 ( 0.000 2.401 8.112) 8.460 3.880 ( 0.000 -9.324 -19.205) 21.349 3.880 ( 0.000 -9.324 19.205) 21.349 4.350 ( 0.000 1.306 -2.196) 2.555 4.350 ( 0.000 1.306 2.196) 2.555 4.412 ( 0.000 -2.654 -5.472) 6.082 4.412 ( 0.000 -2.654 5.472) 6.082 4.704 ( 0.000 5.595 -2.797) 6.255 4.704 ( 0.000 5.595 2.797) 6.255 4.918 ( 0.000 -11.317 -5.199) 12.454 4.918 ( 0.000 -11.317 5.199) 12.454 5.531 ( 0.000 10.525 -10.417) 14.809 5.531 ( 0.000 10.525 10.417) 14.809 5.751 ( 0.000 -10.813 -11.552) 15.823 5.751 ( 0.000 -10.813 11.552) 15.823 6.182 ( 0.000 3.725 -10.545) 11.183 6.182 ( 0.000 3.725 10.545) 11.183 6.220 ( 0.000 0.544 -6.067) 6.091 6.220 ( 0.000 0.544 6.067) 6.091 6.837 ( 0.000 2.943 -4.203) 5.131 6.837 ( 0.000 2.943 4.203) 5.131 6.868 ( 0.000 -0.280 -1.014) 1.051 6.868 ( 0.000 -0.280 1.014) 1.052 6.999 ( 0.000 9.521 -10.388) 14.091 6.999 ( 0.000 9.521 10.388) 14.091 7.182 ( 0.000 -7.445 -8.718) 11.464 7.182 ( 0.000 -7.445 8.718) 11.464 7.486 ( 0.000 5.899 -6.380) 8.689 7.486 ( 0.000 5.899 6.380) 8.689 7.548 ( 0.000 0.216 -11.736) 11.738 7.548 ( 0.000 0.215 11.736) 11.738 7.783 ( 0.000 -1.196 -7.798) 7.889 7.783 ( 0.000 -1.196 7.798) 7.889 7.798 ( 0.000 -3.034 -6.264) 6.960 7.798 ( 0.000 -3.034 6.264) 6.960 8.321 ( 0.000 0.521 -11.999) 12.010 8.321 ( 0.000 0.521 11.999) 12.010 8.349 ( 0.000 -1.397 -13.401) 13.473 8.349 ( 0.000 -1.397 13.401) 13.473 9.069 ( 0.000 -2.213 -7.160) 7.494 9.069 ( 0.000 -2.213 7.160) 7.494 9.078 ( 0.000 -2.598 -9.145) 9.507 9.078 ( 0.000 -2.598 9.145) 9.507 9.898 ( 0.000 5.618 -3.864) 6.819 9.898 ( 0.000 5.618 3.864) 6.819 9.953 ( 0.000 1.450 -4.072) 4.323 9.953 ( 0.000 1.450 4.072) 4.323 10.117 ( 0.000 2.361 -11.567) 11.805 10.117 ( 0.000 2.361 11.567) 11.805 10.118 ( 0.000 1.584 -9.281) 9.415 10.118 ( 0.000 1.584 9.281) 9.415 10.603 ( 0.000 1.992 -12.818) 12.972 10.603 ( 0.000 1.992 12.818) 12.972 10.613 ( 0.000 0.722 -15.947) 15.964 10.613 ( 0.000 0.722 15.947) 15.964 10.976 ( 0.000 -0.106 -9.799) 9.800 10.976 ( 0.000 -0.106 9.799) 9.800 10.985 ( 0.000 -2.064 -9.674) 9.892 10.985 ( 0.000 -2.064 9.674) 9.892 11.771 ( 0.000 3.904 -1.602) 4.220 11.771 ( 0.000 3.904 1.602) 4.220 11.818 ( 0.000 -0.339 -3.278) 3.295 11.818 ( 0.000 -0.339 3.278) 3.295 12.600 ( 0.000 2.706 -15.086) 15.327 12.600 ( 0.000 2.706 15.086) 15.327 12.671 ( 0.000 -3.859 -11.616) 12.240 12.671 ( 0.000 -3.859 11.616) 12.240 12.898 ( 0.000 4.476 -8.024) 9.187 12.898 ( 0.000 4.476 8.024) 9.188 12.978 ( 0.000 -2.699 -8.562) 8.978 12.978 ( 0.000 -2.699 8.562) 8.978 13.997 ( 0.000 1.355 -6.155) 6.302 13.997 ( 0.000 1.355 6.155) 6.302 14.083 ( 0.000 -7.834 -5.080) 9.337 14.083 ( 0.000 -7.834 5.080) 9.337 14.138 ( 0.000 1.053 -7.488) 7.562 14.138 ( 0.000 1.053 7.488) 7.562 14.187 ( 0.000 -4.644 -5.787) 7.420 14.187 ( 0.000 -4.644 5.787) 7.420 16.876 ( 0.000 10.530 -4.402) 11.414 16.876 ( 0.000 10.530 4.402) 11.414 17.096 ( 0.000 -12.137 -5.878) 13.485 17.096 ( 0.000 -12.137 5.878) 13.485 17.552 ( 0.000 11.371 -13.559) 17.696 17.552 ( 0.000 11.371 13.559) 17.696 17.774 ( 0.000 -11.414 -13.362) 17.573 17.774 ( 0.000 -11.414 13.362) 17.573 21.050 ( 0.000 6.606 -11.804) 13.527 21.050 ( 0.000 6.606 11.804) 13.527 21.142 ( 0.000 -2.796 -14.897) 15.157 21.142 ( 0.000 -2.796 14.897) 15.157 21.877 ( 0.000 2.099 -16.308) 16.442 21.877 ( 0.000 2.099 16.308) 16.442 21.944 ( 0.000 -5.020 -21.682) 22.255 21.944 ( 0.000 -5.020 21.682) 22.255 24.456 ( 0.000 1.759 -7.897) 8.090 24.456 ( 0.000 1.759 7.897) 8.090 24.512 ( 0.000 -4.325 -7.860) 8.972 24.512 ( 0.000 -4.325 7.860) 8.972 25.848 ( 0.000 2.132 -2.691) 3.433 25.848 ( 0.000 2.132 2.691) 3.433 25.895 ( 0.000 -2.846 -4.170) 5.049 25.895 ( 0.000 -2.846 4.170) 5.049 ======================= Grid point 161 (60/60) ======================= q-point: ( 0.33 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.610 ( 1.013 10.856 -13.348) 17.235 3.610 ( 1.013 10.856 13.348) 17.235 3.651 ( -2.119 7.892 -12.219) 14.700 3.651 ( -2.119 7.892 12.219) 14.700 3.755 ( 3.018 3.787 -12.363) 13.277 3.755 ( 3.018 3.787 12.363) 13.277 3.833 ( -3.367 -2.126 -15.600) 16.100 3.833 ( -3.367 -2.126 15.600) 16.100 4.348 ( 2.035 -5.483 -0.714) 5.892 4.348 ( 2.035 -5.483 0.714) 5.892 4.421 ( -2.351 -7.992 -3.332) 8.972 4.421 ( -2.351 -7.992 3.332) 8.972 4.750 ( 4.676 5.771 -3.199) 8.088 4.750 ( 4.676 5.771 3.199) 8.088 4.868 ( -4.171 -3.982 -4.829) 7.521 4.868 ( -4.171 -3.982 4.829) 7.521 5.558 ( 4.332 5.302 -6.981) 9.779 5.558 ( 4.332 5.302 6.981) 9.779 5.721 ( -7.027 -1.358 -8.091) 10.802 5.721 ( -7.027 -1.358 8.091) 10.802 6.132 ( 6.860 -1.577 -6.395) 9.510 6.132 ( 6.860 -1.577 6.395) 9.510 6.304 ( -3.311 0.023 -7.939) 8.602 6.304 ( -3.311 0.023 7.939) 8.602 6.875 ( 5.070 6.675 -5.000) 9.760 6.875 ( 5.070 6.675 5.000) 9.760 6.939 ( 2.917 0.270 -5.899) 6.586 6.939 ( 2.917 0.270 5.899) 6.586 7.079 ( 5.648 6.285 -7.576) 11.349 7.079 ( 5.648 6.285 7.576) 11.349 7.224 ( 1.602 -2.897 -11.588) 12.052 7.224 ( 1.602 -2.897 11.588) 12.052 7.307 ( -7.751 4.229 -6.976) 11.253 7.307 ( -7.751 4.229 6.976) 11.253 7.454 ( -9.927 -7.189 -4.869) 13.188 7.454 ( -9.927 -7.189 4.869) 13.188 7.705 ( 1.297 0.127 -0.698) 1.478 7.705 ( 1.297 0.127 0.698) 1.478 7.795 ( -4.085 -1.869 -4.935) 6.674 7.795 ( -4.085 -1.869 4.935) 6.674 8.315 ( 1.736 1.851 -2.385) 3.483 8.315 ( 1.736 1.851 2.385) 3.483 8.365 ( -1.720 -2.702 -3.547) 4.780 8.365 ( -1.720 -2.702 3.547) 4.780 9.189 ( 14.537 -1.250 -11.462) 18.554 9.189 ( 14.537 -1.250 11.462) 18.554 9.327 ( 11.776 -1.582 -6.533) 13.560 9.327 ( 11.776 -1.582 6.533) 13.560 9.674 ( -14.349 4.959 -8.972) 17.635 9.674 ( -14.349 4.959 8.972) 17.635 9.724 ( -14.540 -0.089 -9.013) 17.107 9.724 ( -14.540 -0.089 9.013) 17.107 10.123 ( 5.110 1.770 -10.564) 11.867 10.123 ( 5.110 1.770 10.564) 11.867 10.208 ( -1.488 2.123 -10.750) 11.058 10.208 ( -1.488 2.123 10.750) 11.058 10.637 ( 2.826 3.721 -3.345) 5.746 10.637 ( 2.826 3.721 3.345) 5.746 10.662 ( 1.212 1.335 -3.057) 3.550 10.662 ( 1.212 1.335 3.057) 3.550 10.987 ( 1.367 0.043 -8.756) 8.862 10.987 ( 1.367 0.043 8.756) 8.862 11.007 ( 0.343 -1.897 -8.372) 8.591 11.007 ( 0.343 -1.897 8.372) 8.591 11.767 ( 0.287 2.257 -1.277) 2.610 11.767 ( 0.287 2.257 1.277) 2.610 11.796 ( -1.691 -0.483 -1.575) 2.361 11.796 ( -1.691 -0.483 1.575) 2.361 12.594 ( 1.407 1.885 -12.884) 13.097 12.594 ( 1.407 1.885 12.884) 13.097 12.661 ( -2.752 0.037 -11.691) 12.011 12.661 ( -2.752 0.037 11.691) 12.011 12.914 ( 2.441 0.761 -7.609) 8.027 12.914 ( 2.441 0.761 7.609) 8.027 12.971 ( -1.414 -1.652 -6.598) 6.947 12.971 ( -1.414 -1.652 6.598) 6.947 14.017 ( 1.678 1.075 -5.130) 5.504 14.017 ( 1.678 1.075 5.130) 5.504 14.064 ( -1.849 -1.564 -4.232) 4.876 14.064 ( -1.849 -1.564 4.232) 4.876 14.152 ( 1.367 -4.143 -4.446) 6.229 14.152 ( 1.367 -4.143 4.446) 6.229 14.181 ( -0.765 -4.920 -3.109) 5.869 14.181 ( -0.765 -4.920 3.109) 5.869 16.908 ( 2.878 6.632 -4.603) 8.571 16.908 ( 2.878 6.632 4.603) 8.571 17.009 ( -5.389 -3.022 -5.462) 8.246 17.009 ( -5.389 -3.022 5.462) 8.246 17.646 ( 5.762 2.220 -13.359) 14.717 17.646 ( 5.762 2.220 13.359) 14.717 17.749 ( -2.568 -7.483 -13.374) 15.538 17.749 ( -2.568 -7.483 13.374) 15.538 21.062 ( 1.224 4.439 -11.551) 12.435 21.062 ( 1.224 4.439 11.551) 12.435 21.108 ( -2.350 -0.025 -11.828) 12.059 21.108 ( -2.350 -0.025 11.828) 12.059 21.895 ( 1.492 -0.328 -16.057) 16.130 21.895 ( 1.492 -0.328 16.057) 16.130 21.932 ( -1.201 -3.330 -20.351) 20.657 21.932 ( -1.201 -3.330 20.351) 20.657 24.470 ( 1.155 0.305 -7.720) 7.812 24.470 ( 1.155 0.305 7.720) 7.812 24.499 ( -1.083 -2.611 -7.705) 8.208 24.499 ( -1.083 -2.611 7.705) 8.208 25.860 ( 0.953 0.788 -2.838) 3.095 25.860 ( 0.953 0.788 2.838) 3.095 25.884 ( -0.894 -1.681 -3.681) 4.144 25.884 ( -0.894 -1.681 3.681) 4.144 =================== 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 3/29160 10.0 1293.446 3512.962 3694.476 0.000 0.000 -0.000 3/29160 20.0 590.348 811.464 1027.021 0.000 0.000 0.000 3/29160 30.0 244.719 300.701 419.529 0.000 0.000 0.000 3/29160 40.0 118.124 144.394 208.920 0.000 0.000 0.000 3/29160 50.0 66.227 82.194 121.522 0.000 0.000 -0.000 3/29160 60.0 41.759 52.759 79.194 0.000 0.000 -0.000 3/29160 70.0 28.760 36.925 56.021 0.000 0.000 -0.000 3/29160 80.0 21.174 27.543 42.107 0.000 0.000 -0.000 3/29160 90.0 16.407 21.557 33.137 0.000 0.000 -0.000 3/29160 100.0 13.227 17.508 27.023 0.000 0.000 -0.000 3/29160 110.0 10.999 14.637 22.664 0.000 0.000 -0.000 3/29160 120.0 9.374 12.523 19.440 0.000 0.000 -0.000 3/29160 130.0 8.148 10.915 16.981 0.000 0.000 -0.000 3/29160 140.0 7.197 9.660 15.056 0.000 0.000 -0.000 3/29160 150.0 6.441 8.657 13.516 0.000 0.000 -0.000 3/29160 160.0 5.829 7.841 12.261 0.000 0.000 -0.000 3/29160 170.0 5.323 7.165 11.221 0.000 0.000 -0.000 3/29160 180.0 4.900 6.598 10.346 0.000 0.000 -0.000 3/29160 190.0 4.540 6.115 9.601 0.000 0.000 -0.000 3/29160 200.0 4.232 5.700 8.961 0.000 0.000 -0.000 3/29160 210.0 3.964 5.339 8.403 0.000 0.000 -0.000 3/29160 220.0 3.730 5.023 7.915 0.000 0.000 -0.000 3/29160 230.0 3.523 4.743 7.482 0.000 0.000 -0.000 3/29160 240.0 3.339 4.495 7.098 0.000 0.000 -0.000 3/29160 250.0 3.174 4.272 6.753 0.000 0.000 -0.000 3/29160 260.0 3.026 4.071 6.442 0.000 0.000 -0.000 3/29160 270.0 2.892 3.890 6.160 0.000 0.000 -0.000 3/29160 280.0 2.770 3.724 5.903 0.000 0.000 -0.000 3/29160 290.0 2.658 3.573 5.668 0.000 0.000 -0.000 3/29160 300.0 2.556 3.435 5.453 0.000 0.000 -0.000 3/29160 310.0 2.461 3.307 5.254 0.000 0.000 -0.000 3/29160 320.0 2.374 3.189 5.070 0.000 0.000 -0.000 3/29160 330.0 2.293 3.079 4.899 0.000 0.000 -0.000 3/29160 340.0 2.218 2.977 4.740 0.000 0.000 -0.000 3/29160 350.0 2.148 2.882 4.591 0.000 0.000 -0.000 3/29160 360.0 2.082 2.793 4.452 0.000 0.000 -0.000 3/29160 370.0 2.020 2.710 4.322 0.000 0.000 -0.000 3/29160 380.0 1.963 2.632 4.199 0.000 0.000 -0.000 3/29160 390.0 1.908 2.558 4.083 0.000 0.000 -0.000 3/29160 400.0 1.857 2.489 3.974 0.000 0.000 -0.000 3/29160 410.0 1.808 2.423 3.871 0.000 0.000 -0.000 3/29160 420.0 1.762 2.361 3.773 0.000 0.000 -0.000 3/29160 430.0 1.718 2.302 3.681 0.000 0.000 -0.000 3/29160 440.0 1.677 2.246 3.593 0.000 0.000 -0.000 3/29160 450.0 1.638 2.193 3.509 0.000 0.000 -0.000 3/29160 460.0 1.600 2.142 3.429 0.000 0.000 -0.000 3/29160 470.0 1.564 2.094 3.353 0.000 0.000 -0.000 3/29160 480.0 1.530 2.048 3.280 0.000 0.000 -0.000 3/29160 490.0 1.497 2.004 3.210 0.000 0.000 -0.000 3/29160 500.0 1.466 1.962 3.144 0.000 0.000 -0.000 3/29160 510.0 1.436 1.922 3.080 0.000 0.000 -0.000 3/29160 520.0 1.408 1.883 3.019 0.000 0.000 -0.000 3/29160 530.0 1.380 1.846 2.960 0.000 0.000 -0.000 3/29160 540.0 1.353 1.810 2.903 0.000 0.000 -0.000 3/29160 550.0 1.328 1.776 2.849 0.000 0.000 -0.000 3/29160 560.0 1.304 1.743 2.797 0.000 0.000 -0.000 3/29160 570.0 1.280 1.711 2.747 0.000 0.000 -0.000 3/29160 580.0 1.257 1.681 2.698 0.000 0.000 -0.000 3/29160 590.0 1.235 1.651 2.651 0.000 0.000 -0.000 3/29160 600.0 1.214 1.623 2.606 0.000 0.000 -0.000 3/29160 610.0 1.194 1.595 2.562 0.000 0.000 -0.000 3/29160 620.0 1.174 1.569 2.520 0.000 0.000 -0.000 3/29160 630.0 1.155 1.543 2.479 0.000 0.000 -0.000 3/29160 640.0 1.136 1.518 2.440 0.000 0.000 -0.000 3/29160 650.0 1.119 1.494 2.402 0.000 0.000 -0.000 3/29160 660.0 1.101 1.471 2.365 0.000 0.000 -0.000 3/29160 670.0 1.085 1.449 2.329 0.000 0.000 -0.000 3/29160 680.0 1.068 1.427 2.294 0.000 0.000 -0.000 3/29160 690.0 1.052 1.406 2.260 0.000 0.000 -0.000 3/29160 700.0 1.037 1.385 2.228 0.000 0.000 -0.000 3/29160 710.0 1.022 1.365 2.196 0.000 0.000 -0.000 3/29160 720.0 1.008 1.346 2.165 0.000 0.000 -0.000 3/29160 730.0 0.994 1.327 2.135 0.000 0.000 -0.000 3/29160 740.0 0.980 1.309 2.106 0.000 0.000 -0.000 3/29160 750.0 0.967 1.291 2.077 0.000 0.000 -0.000 3/29160 760.0 0.954 1.274 2.050 0.000 0.000 -0.000 3/29160 770.0 0.941 1.257 2.023 0.000 0.000 -0.000 3/29160 780.0 0.929 1.240 1.996 0.000 0.000 -0.000 3/29160 790.0 0.917 1.224 1.971 0.000 0.000 -0.000 3/29160 800.0 0.906 1.209 1.946 0.000 0.000 -0.000 3/29160 810.0 0.894 1.194 1.922 0.000 0.000 -0.000 3/29160 820.0 0.883 1.179 1.898 0.000 0.000 -0.000 3/29160 830.0 0.873 1.164 1.875 0.000 0.000 -0.000 3/29160 840.0 0.862 1.150 1.852 0.000 0.000 -0.000 3/29160 850.0 0.852 1.137 1.830 0.000 0.000 -0.000 3/29160 860.0 0.842 1.123 1.809 0.000 0.000 -0.000 3/29160 870.0 0.832 1.110 1.788 0.000 0.000 -0.000 3/29160 880.0 0.822 1.097 1.768 0.000 0.000 -0.000 3/29160 890.0 0.813 1.085 1.748 0.000 0.000 -0.000 3/29160 900.0 0.804 1.073 1.728 0.000 0.000 -0.000 3/29160 910.0 0.795 1.061 1.709 0.000 0.000 -0.000 3/29160 920.0 0.786 1.049 1.690 0.000 0.000 -0.000 3/29160 930.0 0.778 1.038 1.672 0.000 0.000 -0.000 3/29160 940.0 0.769 1.027 1.654 0.000 0.000 -0.000 3/29160 950.0 0.761 1.016 1.636 0.000 0.000 -0.000 3/29160 960.0 0.753 1.005 1.619 0.000 0.000 -0.000 3/29160 970.0 0.745 0.994 1.603 0.000 0.000 -0.000 3/29160 980.0 0.738 0.984 1.586 0.000 0.000 -0.000 3/29160 990.0 0.730 0.974 1.570 0.000 0.000 -0.000 3/29160 1000.0 0.723 0.964 1.554 0.000 0.000 -0.000 3/29160 Thermal conductivity related properties were written into "kappa-m3910.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:14:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|